A0A096LW42_POEFO Loading...

ADAM metallopeptidase with thrombospondin type 1 motif, 10

AlphaFold DB , UniProt , Accession A0A096LW42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,104 aa.

						>A0A096LW42_POEFO|A0A096LW42
IPPHFFLLTFLLNLKINIRDETSCNFKSTAAFLSSLGQYEIAIPVRVGPNGEMLDTDRTKYHQRRRRSSEDRLLFYQLSTSQNNFLLNLTLQGGLLSRQFRVEYWKRGQLAWSHPYSPHCHYTGHLQDQPHSSKVALSNCNGLQGVIVAGGEEYLIEPLVSPDNQTRTERGERTEGRPHVVYKRSSLRYQYKGRSCGVIDEKPMKGASWWQRTLKTPPHHVGRGQLPLKRSVSQERYVETLVVADKMMVGYHGRRDIEQYILAVMNIVAKLFHDSSLGNAVNIVVTRLILLMEDQPTLEINHHAGKSLDSFCKWQKTIQHRSSSYGNAIPDNGIAHHDTAVLITRYDICIQKNKPCETLGLAPVGGMCEPERSCSINEDIGLGTAFTIAHEIGHTFGMNHDGMGNACGPRSQETAKLMADHITMKTNPFIWSACSRDYITSFLDSGLGSCLNNMPPKQEFVYPTTAPGQAYDADEQCRFQYGIRSRQCKYAEVCSELWCMSKSNRCITSSIPAAEGTICQTNTIEKGWCFKRVCVAYGTRPEGVDGGWGLWSAWGECSRTCGGGVSSSVRHCDSPRPTIGGKYCLGERKRFRSCNIDECPAGCRDFREIQCSDFDSTPFRGKFYTWKPYRGGGVKPCSLNCLAEGYNFYTERAPAVVDGTPCRDDSLDVCVNGECKHVGCDRVLGSDVREDRCRICGGDGSSCTSVEGVFNDSLPEIGDYEEVVRIPKGSVFIHIQELNISLNYLVLKSKNDQYFINGKLNIDTPRRFSVAGTIFHYRRPTDGPETLEALGPTNMTLIVMVLVREDNQGIHYRFNPPVSRDPMSGFAWQYTSWSRCSALCAGGVQIQQVVCKRQSDLSVVYNHFCDKKSKPKEKRRSCNTEPCSPNWWTGEWSECSRSCNGGLRTREVLCKRRISAVEEKVLDDSACSSARPSFTEPCSNHSCPPEWLALDWSECTPSCGPGYRHRVVLCKSGESGNTLPDSKCPKNGRPTSRVRCNLQRCPPPVWVTGPWGECSARCGLGQEMRSVQCLAHTGQPSNECLEHQRPAAMQQCKSKCDASLPVNSENPEECKDVSTVAYCPLVLRFKFCNRPYFRQMCCKTCQGH
					

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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	I	25.3	Very low	27	Very low	223 Å²	223	157.9 Å²	157.9	100%	1.144	81%	0.81	S	S	*	*				0	140	0	-70.3	176.3	0	0	0	107
2	P	37.1	Very low	26.8	Very low	112 Å²	112	157.4 Å²	157.4	73%	0.727	81%	0.809	S	S	*	*			trans	-100.2	-157.1	-158.6	44	-36.6	0	0	0	110.2
3	P	34.7	Very low	26.6	Very low	109 Å²	109	156.7 Å²	156.7	71%	0.708	81%	0.808	S	S	*	*			cis	-129.5	-157.5	-2.9	43.8	-23.9	0	0	0	112.3
4	H	27.2	Very low	26.4	Very low	172 Å²	172	156.9 Å²	156.9	80%	0.796	81%	0.809	S	S	*	*			cis	-149.5	177.5	3.3	-146.6	-85	0	0	0	110.2
5	F	26.2	Very low	26.4	Very low	161 Å²	161	159.3 Å²	159.3	71%	0.706	81%	0.811	S	S	*	*			trans	-137.6	170.3	166.8	-145.3	-95.5	0	0	0	109.8
6	F	25	Very low	26.2	Very low	171 Å²	171	160 Å²	160	75%	0.75	82%	0.815	S	S	*	*			trans	82.5	139.7	164.8	-75.5	-69.3	0	0	0	123.5
7	L	24	Very low	26.1	Very low	137 Å²	137	159.4 Å²	159.4	72%	0.717	82%	0.815	S	S	*	*			trans	70.8	83.6	141	-81.1	159.6	0	0	0	121.2
8	L	22.4	Very low	25.9	Very low	169 Å²	169	159.4 Å²	159.4	89%	0.885	82%	0.815	S	S	*	*	S	Bend		-175.7	124.7	125.4	-95.1	154.7	0	0	0	106.6
9	T	25.2	Very low	26.1	Very low	127 Å²	127	163 Å²	163	78%	0.779	82%	0.817	S	S	*	*			cis	-131.4	137.3	10.7	34.3	0	0	0	0	111.8
10	F	23.2	Very low	25.8	Very low	195 Å²	195	162.5 Å²	162.5	86%	0.855	82%	0.817	S	S	*	*			trans	-111.1	91.6	170.2	-166.4	-83.4	0	0	0	108.5
11	L	26.2	Very low	25.9	Very low	161 Å²	161	160.6 Å²	160.6	84%	0.843	81%	0.806	S	S	*	*			trans	-177.2	92.9	165.7	-106.7	170.7	0	0	0	110.6
12	L	25.6	Very low	25.9	Very low	152 Å²	152	155.3 Å²	155.3	80%	0.796	78%	0.784	S	S	*	*	S	Bend	trans	-175	121.6	140.5	-102.9	159.5	0	0	0	111.5
13	N	24	Very low	25.3	Very low	148 Å²	148	153.6 Å²	153.6	79%	0.791	78%	0.775	S	S	*	*			trans	67.5	107	161.3	-59	-21.8	0	0	0	120.3
14	L	23.9	Very low	24.7	Very low	159 Å²	159	153.8 Å²	153.8	83%	0.832	78%	0.777	S	S	*	*			trans	-69.9	151.1	154.2	-95.7	66.1	0	0	0	111.6
15	K	25.6	Very low	24.7	Very low	193 Å²	193	151.6 Å²	151.6	84%	0.839	77%	0.771	S	S	*	*			trans	14.6	129.1	145.7	-60.7	176.5	177.5	177	0	119.3
16	I	23.6	Very low	24.8	Very low	171 Å²	171	149.4 Å²	149.4	88%	0.877	76%	0.762	S	S	*	*				-152.8	155.5	121	-105.6	156.8	0	0	0	109.4
17	N	24.8	Very low	25.2	Very low	150 Å²	150	147.8 Å²	147.8	80%	0.802	75%	0.754	S	S	*	*			trans	-71.8	138.1	-179.4	-84.9	-54.7	0	0	0	112.7
18	I	22.1	Very low	26.2	Very low	160 Å²	160	144 Å²	144	82%	0.821	74%	0.74	S	S	*	*			trans	-129.1	116	140.6	-62.3	-178.1	0	0	0	107.3
19	R	29.5	Very low	27.4	Very low	227 Å²	227	138 Å²	138	86%	0.857	71%	0.709	S	S	*	*			trans	-78.9	139.8	155.4	-75.7	179	173.3	173.4	-2.9	106.9
20	D	21.4	Very low	28.5	Very low	153 Å²	153	135.2 Å²	135.2	82%	0.818	70%	0.699	S	S	*	*			trans	-144.4	149.6	153.9	-156.2	-1.6	0	0	0	110.9
21	E	27.9	Very low	29.6	Very low	123 Å²	123	127.6 Å²	127.6	58%	0.575	67%	0.673	S	S	*	*			trans	-119.2	125.5	-169.4	-50.8	-159.7	134	0	0	111.7	K27	E21-K27 IonicContact OE1-NZ 3.82Å; E21-K27 PolarHBondContact OE1-NZ 2.99Å; E21-K27 IonicContact OE2-NZ 2.66Å; E21-K27 PolarHBondContact OE2-NZ 3.48Å
22	T	23.9	Very low	30.6	Very low	112 Å²	112	121.8 Å²	121.8	69%	0.687	64%	0.641	S	S	*	*			trans	-137.6	51.6	160.7	49.1	0	0	0	0	112.8	R484	T22-R484 PolarHBondContact OG1-NH2 2.96Å
23	S	24.3	Very low	32	Very low	76 Å²	76	115.7 Å²	115.7	53%	0.531	61%	0.609	S	S	.	*			trans	-86.2	123.6	157.5	177.2	0	0	0	0	109	N25	S23-N25 PolarHBondContact O-N 2.83Å; S23-N25 PolarHBondContact OG-N 3.08Å
24	C	23.9	Very low	33.4	Very low	113 Å²	113	113.4 Å²	113.4	76%	0.764	61%	0.605	S	S	*	*			trans	-91.5	40.5	172.3	-65.9	0	0	0	0	112.5
25	N	26	Very low	34.4	Very low	125 Å²	125	108.2 Å²	108.2	67%	0.668	58%	0.582	S	S	*	*	S	Bend	trans	-77.5	122.2	143.5	-86.2	-11.9	0	0	0	106.9	S23 K27	S23-N25 PolarHBondContact O-N 2.83Å; S23-N25 PolarHBondContact OG-N 3.08Å; N25-K27 PolarHBondContact O-N 3.46Å
26	F	28.1	Very low	35.5	Very low	116 Å²	116	99.7 Å²	99.7	51%	0.509	55%	0.545	S	S	.	.			trans	-65.8	98.8	164.1	-70.5	-62.3	0	0	0	108.6	S28 A31 F32	F26-S28 PolarHBondContact O-N 3.06Å; F26-A31 VanDerWaalsContact CD1-C 3.5Å; F26-A31 HydrophobicContact CD1-CB 3.81Å; F26-A31 WeakPolarHBondContact CE1-O 3.36Å; F26-F32 HydrophobicContact CB-CB 4.18Å; F26-F32 HydrophobicContact CD1-CB 4.17Å; F26-F32 HydrophobicContact CD2-CB 3.85Å; F26-F32 HydrophobicContact CD2-CD2 4.01Å; F26-F32 HydrophobicContact CD2-CG 4.28Å; F26-F32 HydrophobicContact CE2-CB 4.22Å; F26-F32 AromaticContact CE2-CD2 3.72Å; F26-F32 HydrophobicContact CE2-CD2 3.72Å; F26-F32 HydrophobicContact CE2-CG 4.39Å; F26-F32 HydrophobicContact CG-CB 3.82Å; F26-F32 HydrophobicContact CZ-CD2 4.25Å
27	K	34	Very low	37	Very low	137 Å²	137	94.7 Å²	94.7	60%	0.596	54%	0.536	S	S	*	.	S	Bend	trans	-66.9	-14.7	-178	-65.4	-178.9	-178.7	173.1	0	113.5	E21 N25	E21-K27 IonicContact OE1-NZ 3.82Å; E21-K27 PolarHBondContact OE1-NZ 2.99Å; E21-K27 IonicContact OE2-NZ 2.66Å; E21-K27 PolarHBondContact OE2-NZ 3.48Å; N25-K27 PolarHBondContact O-N 3.46Å
28	S	44.3	Very low	38.9	Very low	58 Å²	58	94.4 Å²	94.4	41%	0.406	53%	0.529	S	S	.	.	S	Bend	trans	-149.2	154.6	173.3	68.4	0	0	0	0	110.6	F26 A30 A31	F26-S28 PolarHBondContact O-N 3.06Å; S28-A30 PolarHBondContact O-N 3.12Å; S28-A31 WeakPolarHBondContact O-CB 3.33Å; S28-A31 PolarHBondContact O-N 3.48Å; S28-A31 VanDerWaalsContact O-N 3.09Å
29	T	48.5	Very low	41.3	Very low	41 Å²	41	91.7 Å²	91.7	25%	0.252	51%	0.51	S	S	.	.	H	α-helix	trans	-59.1	-33.1	177.9	-39.9	0	0	0	0	111.9	A31 F32 L33 L159 V160	T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 3.31Å; T29-F32 PolarHBondContact O-N 2.91Å; T29-L33 WeakPolarHBondContact O-CG 3.11Å; T29-L33 PolarHBondContact O-N 3.21Å; T29-L159 HydrophobicContact CG2-CD1 3.48Å; T29-L159 VanDerWaalsContact CG2-CD1 3.48Å; T29-L159 HydrophobicContact CG2-CG 4.26Å; T29-V160 PolarHBondContact OG1-O 2.78Å
30	A	47.3	Very low	43.6	Very low	69 Å²	69	82.5 Å²	82.5	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-61.2	-38	175.3	0	0	0	0	0	113	S28 L33 S34	S28-A30 PolarHBondContact O-N 3.12Å; A30-L33 PolarHBondContact O-N 2.59Å; A30-S34 WeakPolarHBondContact O-CB 3.33Å; A30-S34 PolarHBondContact O-N 3.4Å; A30-S34 PolarHBondContact O-OG 3.47Å
31	A	47.6	Very low	46.3	Very low	35 Å²	35	79.1 Å²	79.1	29%	0.289	46%	0.457	S	S	.	.	H	α-helix	trans	-67.2	-39.2	178.3	0	0	0	0	0	111.8	F26 S28 T29 S34 S35	F26-A31 VanDerWaalsContact CD1-C 3.5Å; F26-A31 HydrophobicContact CD1-CB 3.81Å; F26-A31 WeakPolarHBondContact CE1-O 3.36Å; S28-A31 WeakPolarHBondContact O-CB 3.33Å; S28-A31 PolarHBondContact O-N 3.48Å; S28-A31 VanDerWaalsContact O-N 3.09Å; T29-A31 VanDerWaalsContact C-N 3.33Å; T29-A31 PolarHBondContact O-N 3.31Å; A31-S34 PolarHBondContact O-N 2.82Å; A31-S34 PolarHBondContact O-OG 3.15Å; A31-S35 PolarHBondContact O-N 3.08Å
32	F	46.2	Very low	48.7	Very low	39 Å²	39	73.2 Å²	73.2	17%	0.171	43%	0.43	C	S	.	.	H	α-helix	trans	-61.8	-52.2	173.5	171.3	-134.2	0	0	0	111.5	F26 T29 S34 S35 L36 E157 V180 Y182	F26-F32 HydrophobicContact CB-CB 4.18Å; F26-F32 HydrophobicContact CD1-CB 4.17Å; F26-F32 HydrophobicContact CD2-CB 3.85Å; F26-F32 HydrophobicContact CD2-CD2 4.01Å; F26-F32 HydrophobicContact CD2-CG 4.28Å; F26-F32 HydrophobicContact CE2-CB 4.22Å; F26-F32 AromaticContact CE2-CD2 3.72Å; F26-F32 HydrophobicContact CE2-CD2 3.72Å; F26-F32 HydrophobicContact CE2-CG 4.39Å; F26-F32 HydrophobicContact CG-CB 3.82Å; F26-F32 HydrophobicContact CZ-CD2 4.25Å; T29-F32 PolarHBondContact O-N 2.91Å; F32-S34 VanDerWaalsContact C-N 3.25Å; F32-S34 PolarHBondContact O-N 3.15Å; F32-S35 WeakPolarHBondContact O-CB 3.48Å; F32-S35 PolarHBondContact O-N 2.73Å; F32-S35 PolarHBondContact O-OG 2.9Å; F32-L36 HydrophobicContact CE2-CD1 4.42Å; F32-L36 HydrophobicContact CZ-CD1 4.38Å; F32-E157 WeakPolarHBondContact CZ-OE2 3.45Å; F32-V180 HydrophobicContact CE1-CG1 3.99Å; F32-Y182 HydrophobicContact CZ-CE1 4.14Å
33	L	55.2	Low	51.3	Low	24 Å²	24	72.1 Å²	72.1	13%	0.126	42%	0.419	C	S	.	.	H	α-helix	trans	-60.2	-34.3	178.5	-64.7	177.8	0	0	0	112.5	T29 A30 S35 L36 Y39 L159 V180	T29-L33 WeakPolarHBondContact O-CG 3.11Å; T29-L33 PolarHBondContact O-N 3.21Å; A30-L33 PolarHBondContact O-N 2.59Å; L33-S35 PolarHBondContact O-N 3.42Å; L33-L36 HydrophobicContact CD2-CD1 4.47Å; L33-L36 PolarHBondContact O-N 2.9Å; L33-Y39 HydrophobicContact CB-CD1 4.47Å; L33-Y39 HydrophobicContact CB-CE1 3.84Å; L33-Y39 HydrophobicContact CD1-CE2 4.07Å; L33-Y39 HydrophobicContact CD2-CD1 4.23Å; L33-Y39 HydrophobicContact CD2-CD2 3.86Å; L33-Y39 HydrophobicContact CD2-CE1 4.19Å; L33-Y39 HydrophobicContact CD2-CE2 3.82Å; L33-Y39 HydrophobicContact CD2-CG 4.08Å; L33-Y39 HydrophobicContact CG-CE1 4.45Å; L33-Y39 HydrophobicContact CG-CE2 4.36Å; L33-L159 HydrophobicContact CD1-CD1 4.36Å; L33-L159 HydrophobicContact CD2-CD1 4.47Å; L33-V180 HydrophobicContact CD2-CB 4.43Å; L33-V180 HydrophobicContact CD2-CG2 3.81Å
34	S	53.1	Low	53.7	Low	101 Å²	101	69.2 Å²	69.2	71%	0.706	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.3	175.4	76.6	0	0	0	0	114.8	A30 A31 F32	A30-S34 WeakPolarHBondContact O-CB 3.33Å; A30-S34 PolarHBondContact O-N 3.4Å; A30-S34 PolarHBondContact O-OG 3.47Å; A31-S34 PolarHBondContact O-N 2.82Å; A31-S34 PolarHBondContact O-OG 3.15Å; F32-S34 VanDerWaalsContact C-N 3.25Å; F32-S34 PolarHBondContact O-N 3.15Å
35	S	46.4	Very low	56.4	Low	50 Å²	50	66.5 Å²	66.5	35%	0.35	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.8	175.4	76.3	0	0	0	0	113.9	A31 F32 L33	A31-S35 PolarHBondContact O-N 3.08Å; F32-S35 WeakPolarHBondContact O-CB 3.48Å; F32-S35 PolarHBondContact O-N 2.73Å; F32-S35 PolarHBondContact O-OG 2.9Å; L33-S35 PolarHBondContact O-N 3.42Å
36	L	48.5	Very low	58.9	Low	14 Å²	14	66.6 Å²	66.6	7%	0.073	37%	0.369	C	S	.	.			trans	-100.1	127.5	-179.3	-58.8	177.4	0	0	0	110.4	F32 L33 Q38 Y39 Y182 L187	F32-L36 HydrophobicContact CE2-CD1 4.42Å; F32-L36 HydrophobicContact CZ-CD1 4.38Å; L33-L36 HydrophobicContact CD2-CD1 4.47Å; L33-L36 PolarHBondContact O-N 2.9Å; L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 2.86Å; L36-Y39 HydrophobicContact CB-CD1 4.26Å; L36-Y182 HydrophobicContact CD1-CD1 3.88Å; L36-Y182 HydrophobicContact CD1-CD2 4.09Å; L36-Y182 HydrophobicContact CD1-CE1 4.28Å; L36-Y182 HydrophobicContact CD1-CE2 4.47Å; L36-Y182 HydrophobicContact CD1-CG 3.76Å; L36-Y182 HydrophobicContact CD2-CD2 3.63Å; L36-Y182 HydrophobicContact CD2-CE2 3.68Å; L36-Y182 HydrophobicContact CD2-CG 4.2Å; L36-Y182 HydrophobicContact CG-CD2 4.46Å; L36-L187 HydrophobicContact CD2-CD2 3.86Å
37	G	54.8	Low	61.3	Low	66 Å²	66	61.2 Å²	61.2	68%	0.68	35%	0.346	S	S	*	.	S	Bend	trans	-67	-32	177.4	0	0	0	0	0	114
38	Q	64.1	Low	63.2	Low	143 Å²	143	55 Å²	55	67%	0.668	32%	0.32	S	S	*	.	S	Bend	trans	-148.5	139.1	172.8	-68.7	-176.5	-38	0	0	109.6	L36	L36-Q38 VanDerWaalsContact C-N 3.34Å; L36-Q38 PolarHBondContact O-N 2.86Å
39	Y	73	Confident	64.5	Low	103 Å²	103	55 Å²	55	40%	0.404	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.3	172.2	70	-91.6	0	0	0	111.1	L33 L36 V180	L33-Y39 HydrophobicContact CB-CD1 4.47Å; L33-Y39 HydrophobicContact CB-CE1 3.84Å; L33-Y39 HydrophobicContact CD1-CE2 4.07Å; L33-Y39 HydrophobicContact CD2-CD1 4.23Å; L33-Y39 HydrophobicContact CD2-CD2 3.86Å; L33-Y39 HydrophobicContact CD2-CE1 4.19Å; L33-Y39 HydrophobicContact CD2-CE2 3.82Å; L33-Y39 HydrophobicContact CD2-CG 4.08Å; L33-Y39 HydrophobicContact CG-CE1 4.45Å; L33-Y39 HydrophobicContact CG-CE2 4.36Å; L36-Y39 HydrophobicContact CB-CD1 4.26Å; Y39-V180 HydrophobicContact CD2-CG2 3.88Å; Y39-V180 HydrophobicContact CG-CG2 4.13Å
40	E	78	Confident	65.5	Low	34 Å²	34	59.5 Å²	59.5	16%	0.159	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	167.4	175.1	-67.6	172.4	-121.7	0	0	109.2	T80 Q82 V180 V181	E40-T80 HydrophobicContact CB-CG2 4.22Å; E40-T80 WeakPolarHBondContact OE2-CB 3.34Å; E40-T80 PolarHBondContact OE2-OG1 2.81Å; E40-Q82 PolarHBondContact OE2-N 2.8Å; E40-V180 WeakPolarHBondContact O-CA 3.15Å; E40-V180 WeakPolarHBondContact O-CG2 3.47Å; E40-V181 PolarHBondContact N-O 2.96Å; E40-V181 PolarHBondContact O-N 3.19Å
41	I	78.3	Confident	66.4	Low	82 Å²	82	57.3 Å²	57.3	42%	0.421	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.9	174.2	-61.2	173.6	0	0	0	108.5	L159 P178 H179	I41-L159 HydrophobicContact CD1-CD2 3.89Å; I41-L159 HydrophobicContact CG1-CD2 4.39Å; I41-L159 HydrophobicContact CG2-CD2 4.41Å; I41-P178 HydrophobicContact CG2-CB 4.08Å; I41-H179 CarbonylContact C-O 3.53Å; I41-H179 WeakPolarHBondContact CA-O 3.41Å
42	A	77.2	Confident	67.9	Low	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.4	178.1	0	0	0	0	0	110.9	L78 T80 H179 V181	A42-L78 HydrophobicContact CB-CD2 3.69Å; A42-T80 HydrophobicContact CB-CG2 3.81Å; A42-H179 PolarHBondContact N-O 2.65Å; A42-H179 PolarHBondContact O-N 3.34Å; A42-V181 HydrophobicContact CB-CG2 3.71Å
43	I	79	Confident	68.8	Low	89 Å²	89	64.5 Å²	64.5	46%	0.456	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	107.9	166.1	-59.9	-179.8	0	0	0	107.6	V45	I43-V45 PolarHBondContact O-N 2.89Å
44	P	74.9	Confident	69.4	Low	15 Å²	15	67.4 Å²	67.4	10%	0.097	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.4	178.8	22.3	-28.3	0	0	0	112.2	Y76 Q77 L78 L143 R177 H179	P44-Y76 HydrophobicContact CB-CD1 3.98Å; P44-Y76 HydrophobicContact CB-CE1 4.36Å; P44-Q77 WeakPolarHBondContact CA-O 3.24Å; P44-L78 HydrophobicContact CB-CD2 3.62Å; P44-L78 HydrophobicContact CB-CG 4.26Å; P44-L78 HydrophobicContact CG-CD2 4.13Å; P44-L143 HydrophobicContact CB-CD1 3.52Å; P44-L143 HydrophobicContact CB-CG 4.3Å; P44-L143 HydrophobicContact CG-CD1 3.96Å; P44-L143 HydrophobicContact CG-CG 4.27Å; P44-R177 WeakPolarHBondContact CD-O 3.32Å; P44-H179 WeakPolarHBondContact CD-ND1 3.38Å; P44-H179 WeakPolarHBondContact CG-ND1 3.47Å
45	V	80.4	Confident	69.2	Low	55 Å²	55	69.1 Å²	69.1	33%	0.333	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.4	172.8	-177.3	0	0	0	0	108.6	I43 V47 M53 Y76 Q77	I43-V45 PolarHBondContact O-N 2.89Å; V45-V47 HydrophobicContact CG1-CG1 4.3Å; V45-M53 HydrophobicContact CG1-CE 4.24Å; V45-M53 HydrophobicContact CG1-SD 3.88Å; V45-Y76 CarbonylContact O-C 3.51Å; V45-Y76 WeakPolarHBondContact O-CA 3.44Å; V45-Y76 WeakPolarHBondContact O-CD1 3.45Å; V45-Q77 PolarHBondContact N-O 2.97Å; V45-Q77 PolarHBondContact O-N 2.83Å
46	R	77.1	Confident	69.3	Low	128 Å²	128	72.5 Å²	72.5	48%	0.483	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.1	173.1	-172	-173.4	171.8	167.2	-0.5	108.8	L54 L74 F75 Y76	R46-L54 HydrophobicContact CB-CD1 4.38Å; R46-L54 HydrophobicContact CG-CD1 3.85Å; R46-L74 VanDerWaalsContact CZ-CD2 3.46Å; R46-L74 VanDerWaalsContact NH2-CD2 3.26Å; R46-F75 WeakPolarHBondContact CG-O 3.21Å; R46-Y76 HydrophobicContact CB-CD1 4.28Å; R46-Y76 HydrophobicContact CB-CE1 3.91Å
47	V	79.1	Confident	69	Low	3 Å²	3	78.5 Å²	78.5	2%	0.018	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-126.4	175.3	-174.1	-68.4	0	0	0	0	110.8	V45 E52 F75 Q77 L86	V45-V47 HydrophobicContact CG1-CG1 4.3Å; V47-E52 CarbonylContact C-O 3.51Å; V47-E52 WeakPolarHBondContact CA-O 3.35Å; V47-E52 WeakPolarHBondContact CB-O 3.14Å; V47-F75 HydrophobicContact CG2-CB 4Å; V47-F75 PolarHBondContact N-O 3.38Å; V47-Q77 HydrophobicContact CG1-CB 4.05Å; V47-Q77 HydrophobicContact CG2-CB 4.25Å; V47-L86 HydrophobicContact CG2-CD1 3.61Å
48	G	73.4	Confident	68.1	Low	5 Å²	5	85.6 Å²	85.6	5%	0.052	43%	0.429	C	S	.	.			trans	-81.7	-179.4	166	0	0	0	0	0	113.3	N50 G51 E52	G48-N50 PolarHBondContact O-N 3.37Å; G48-N50 VanDerWaalsContact O-N 3.12Å; G48-G51 PolarHBondContact O-N 2.91Å; G48-G51 VanDerWaalsContact O-N 3.14Å; G48-E52 VanDerWaalsContact CA-CD 3.46Å; G48-E52 WeakPolarHBondContact CA-OE2 3.21Å; G48-E52 PolarHBondContact N-O 2.81Å
49	P	72.6	Confident	66.7	Low	58 Å²	58	84.8 Å²	84.8	38%	0.377	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.5	-174.2	-25	34.7	0	0	0	116	E52 F75 Q127	P49-E52 WeakPolarHBondContact CD-OE1 3.4Å; P49-F75 HydrophobicContact CB-CD2 4.41Å; P49-F75 HydrophobicContact CB-CE1 4.12Å; P49-F75 HydrophobicContact CB-CE2 3.96Å; P49-F75 HydrophobicContact CB-CZ 3.8Å; P49-F75 HydrophobicContact CG-CD2 4.16Å; P49-F75 HydrophobicContact CG-CE2 3.71Å; P49-F75 HydrophobicContact CG-CZ 4.03Å; P49-Q127 PolarHBondContact O-NE2 2.82Å
50	N	69.1	Low	65.1	Low	137 Å²	137	89.6 Å²	89.6	73%	0.733	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	9.8	-177.8	-51.7	-64.1	0	0	0	112.6	G48 E52	G48-N50 PolarHBondContact O-N 3.37Å; G48-N50 VanDerWaalsContact O-N 3.12Å; N50-E52 VanDerWaalsContact CA-OE2 3.29Å; N50-E52 WeakPolarHBondContact CA-OE2 3.44Å; N50-E52 WeakPolarHBondContact CB-OE2 3.15Å; N50-E52 PolarHBondContact N-OE2 2.96Å
51	G	66.4	Low	62.8	Low	22 Å²	22	98.1 Å²	98.1	23%	0.227	49%	0.489	C	S	.	.	S	Bend	trans	85.1	9.8	-174.9	0	0	0	0	0	114.3	G48	G48-G51 PolarHBondContact O-N 2.91Å; G48-G51 VanDerWaalsContact O-N 3.14Å
52	E	78.4	Confident	60.8	Low	84 Å²	84	101.9 Å²	101.9	39%	0.393	50%	0.504	S	S	.	.			trans	-67.8	141.3	176.8	69.6	-84.9	-144.3	0	0	112.1	V47 G48 P49 N50	V47-E52 CarbonylContact C-O 3.51Å; V47-E52 WeakPolarHBondContact CA-O 3.35Å; V47-E52 WeakPolarHBondContact CB-O 3.14Å; G48-E52 VanDerWaalsContact CA-CD 3.46Å; G48-E52 WeakPolarHBondContact CA-OE2 3.21Å; G48-E52 PolarHBondContact N-O 2.81Å; P49-E52 WeakPolarHBondContact CD-OE1 3.4Å; N50-E52 VanDerWaalsContact CA-OE2 3.29Å; N50-E52 WeakPolarHBondContact CA-OE2 3.44Å; N50-E52 WeakPolarHBondContact CB-OE2 3.15Å; N50-E52 PolarHBondContact N-OE2 2.96Å
53	M	65.1	Low	58.7	Low	141 Å²	141	110.7 Å²	110.7	70%	0.695	55%	0.545	S	S	*	.	B	Isolated β-bridge	trans	-65.5	134.4	172.8	-74.9	-67.7	-167.7	0	0	110.2	V45 D55	V45-M53 HydrophobicContact CG1-CE 4.24Å; V45-M53 HydrophobicContact CG1-SD 3.88Å; M53-D55 PolarHBondContact O-N 2.88Å
54	L	68.5	Low	56.9	Low	85 Å²	85	118.6 Å²	118.6	45%	0.445	57%	0.569	S	S	.	*			trans	-77.1	102.7	175.2	-63.8	174.6	0	0	0	109	R46 T56	R46-L54 HydrophobicContact CB-CD1 4.38Å; R46-L54 HydrophobicContact CG-CD1 3.85Å; L54-T56 PolarHBondContact O-N 2.82Å
55	D	48.3	Very low	54.9	Low	137 Å²	137	127.5 Å²	127.5	73%	0.733	60%	0.601	S	S	*	*			trans	-54.4	117.9	-176.5	-172.5	6.3	0	0	0	112	M53 D57	M53-D55 PolarHBondContact O-N 2.88Å; D55-D57 PolarHBondContact OD1-N 3.39Å
56	T	49.9	Very low	52.8	Low	122 Å²	122	136.2 Å²	136.2	75%	0.748	63%	0.628	S	S	*	*			trans	-91.7	-7.3	-169.5	33	0	0	0	0	114.3	L54	L54-T56 PolarHBondContact O-N 2.82Å
57	D	41.7	Very low	50.8	Low	140 Å²	140	140.3 Å²	140.3	75%	0.749	64%	0.643	S	S	*	*			trans	-114	74.2	-176.8	-161.8	7.3	0	0	0	114.1	D55	D55-D57 PolarHBondContact OD1-N 3.39Å
58	R	36.1	Very low	48.7	Very low	215 Å²	215	143.5 Å²	143.5	81%	0.811	67%	0.666	S	S	*	*			trans	-144.2	102.7	159.1	-130.8	164.2	-179.5	167.1	-0.2	116.1
59	T	33.4	Very low	47.1	Very low	125 Å²	125	148 Å²	148	77%	0.767	70%	0.697	S	S	*	*			trans	61.1	107.5	153.4	50.7	0	0	0	0	118.8	Y61	T59-Y61 PolarHBondContact O-N 3.11Å
60	K	39.3	Very low	45.6	Very low	204 Å²	204	151 Å²	151	89%	0.887	71%	0.705	S	S	*	*			trans	-63.9	111.4	155.6	-57.4	160.4	-176.1	166.5	0	109.5
61	Y	31.5	Very low	44.8	Very low	214 Å²	214	148.5 Å²	148.5	84%	0.839	69%	0.692	S	S	*	*			trans	-174.7	162.9	142.6	-105.7	-70	0	0	0	111.5	T59	T59-Y61 PolarHBondContact O-N 3.11Å
62	H	36.2	Very low	44.5	Very low	161 Å²	161	153.3 Å²	153.3	75%	0.745	70%	0.704	S	S	*	*			trans	-23.9	136.3	-171.8	-50.9	-62.9	0	0	0	120.2
63	Q	31.9	Very low	44.1	Very low	185 Å²	185	153.3 Å²	153.3	86%	0.864	71%	0.706	S	S	*	*				176.3	158.6	99.5	-92.7	-172.6	12.3	0	0	113	R65	Q63-R65 PolarHBondContact O-N 3.24Å; Q63-R65 VanDerWaalsContact O-N 3.08Å
64	R	42.4	Very low	44.7	Very low	255 Å²	255	147.3 Å²	147.3	96%	0.962	68%	0.676	S	S	*	*			trans	-74.8	85.5	168	-78.9	179.8	169.8	165.5	-4	110.3	R66	R64-R66 PolarHBondContact O-N 3.03Å
65	R	32.1	Very low	45.3	Very low	202 Å²	202	144.6 Å²	144.6	76%	0.762	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.6	166.1	-104.1	-172.8	173.4	-146.5	-0.1	109.2	Q63 E70	Q63-R65 PolarHBondContact O-N 3.24Å; Q63-R65 VanDerWaalsContact O-N 3.08Å; R65-E70 IonicContact NH1-OE1 2.82Å; R65-E70 IonicContact NH1-OE2 2.65Å; R65-E70 PolarHBondContact NH1-OE2 3.01Å
66	R	36.1	Very low	47	Very low	238 Å²	238	139.5 Å²	139.5	90%	0.898	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-58	139.6	157.9	-89	177.1	162.8	165.2	-6.5	107.5	R64 S68	R64-R66 PolarHBondContact O-N 3.03Å; R66-S68 PolarHBondContact O-N 2.77Å
67	R	34.6	Very low	48.6	Very low	214 Å²	214	135.9 Å²	135.9	81%	0.808	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-58.9	121.5	174.8	-90	-179.5	154.2	136.5	-0.2	110	D71	R67-D71 IonicContact CZ-OD2 3.56Å; R67-D71 IonicContact NE-OD2 3.35Å; R67-D71 PolarHBondContact NE-OD2 2.99Å; R67-D71 IonicContact NH2-OD2 3.53Å; R67-D71 PolarHBondContact NH2-OD2 2.82Å
68	S	36.8	Very low	50.5	Low	70 Å²	70	129.2 Å²	129.2	49%	0.49	57%	0.571	S	S	.	*			trans	-89.1	175.8	173.7	-170.8	0	0	0	0	110.5	R66 E70	R66-S68 PolarHBondContact O-N 2.77Å; S68-E70 PolarHBondContact O-N 2.58Å
69	S	38.3	Very low	52.6	Low	100 Å²	100	121.7 Å²	121.7	70%	0.699	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-62.5	-8.8	174.4	-164.4	0	0	0	0	114.1	D71	S69-D71 VanDerWaalsContact C-N 3.34Å; S69-D71 PolarHBondContact O-N 2.86Å
70	E	42.1	Very low	54.5	Low	119 Å²	119	117 Å²	117	56%	0.556	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-65.3	-28.2	-176.1	-61.4	169.4	142.8	0	0	113.4	R65 S68 R72	R65-E70 IonicContact NH1-OE1 2.82Å; R65-E70 IonicContact NH1-OE2 2.65Å; R65-E70 PolarHBondContact NH1-OE2 3.01Å; S68-E70 PolarHBondContact O-N 2.58Å; E70-R72 PolarHBondContact O-N 3.38Å; E70-R72 VanDerWaalsContact O-N 3.08Å
71	D	51.8	Low	55.9	Low	86 Å²	86	112.4 Å²	112.4	46%	0.46	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-70.2	-0.9	-177.2	-99.4	2.1	0	0	0	114.4	R67 S69	R67-D71 IonicContact CZ-OD2 3.56Å; R67-D71 IonicContact NE-OD2 3.35Å; R67-D71 PolarHBondContact NE-OD2 2.99Å; R67-D71 IonicContact NH2-OD2 3.53Å; R67-D71 PolarHBondContact NH2-OD2 2.82Å; S69-D71 VanDerWaalsContact C-N 3.34Å; S69-D71 PolarHBondContact O-N 2.86Å
72	R	60.8	Low	57.5	Low	123 Å²	123	109.5 Å²	109.5	46%	0.464	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-89.3	-16.4	-179.7	-62.7	-169.7	94.9	151.1	13.2	115	E70 T90 L91 E459	E70-R72 PolarHBondContact O-N 3.38Å; E70-R72 VanDerWaalsContact O-N 3.08Å; R72-T90 WeakPolarHBondContact O-CA 3.46Å; R72-L91 PolarHBondContact O-N 2.85Å; R72-E459 IonicContact NH2-OE2 3.27Å; R72-E459 PolarHBondContact NH2-OE2 3.2Å
73	L	68.3	Low	59.1	Low	84 Å²	84	104.2 Å²	104.2	44%	0.44	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.4	-175.1	-75.6	166	0	0	0	111.7	L89 T90	L73-L89 CarbonylContact C-O 3.59Å; L73-L89 WeakPolarHBondContact CA-O 3.22Å; L73-T90 HydrophobicContact CD2-CG2 4.17Å; L73-T90 VanDerWaalsContact CD2-OG1 3.27Å; L73-T90 WeakPolarHBondContact CD2-OG1 3.23Å
74	L	78.7	Confident	61.4	Low	14 Å²	14	99.8 Å²	99.8	7%	0.073	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.9	174.8	-67	-173.9	0	0	0	111.4	R46 Y76 L89 Y122	R46-L74 VanDerWaalsContact CZ-CD2 3.46Å; R46-L74 VanDerWaalsContact NH2-CD2 3.26Å; L74-Y76 HydrophobicContact CD1-CE2 4.11Å; L74-L89 HydrophobicContact CB-CB 4.21Å; L74-L89 PolarHBondContact N-O 2.87Å; L74-L89 WeakPolarHBondContact O-CB 3.32Å; L74-L89 PolarHBondContact O-N 2.98Å; L74-Y122 HydrophobicContact CD1-CD1 4.44Å; L74-Y122 HydrophobicContact CD1-CD2 4.21Å; L74-Y122 HydrophobicContact CD1-CE1 3.8Å; L74-Y122 HydrophobicContact CD1-CE2 3.51Å; L74-Y122 WeakPolarHBondContact CD1-OH 3.49Å; L74-Y122 HydrophobicContact CG-CE1 3.92Å; L74-Y122 HydrophobicContact CG-CE2 4.49Å
75	F	81.3	Confident	63.4	Low	29 Å²	29	88.2 Å²	88.2	13%	0.127	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.8	171.1	-55.8	-91.6	0	0	0	110.3	R46 V47 P49 L87 N88	R46-F75 WeakPolarHBondContact CG-O 3.21Å; V47-F75 HydrophobicContact CG2-CB 4Å; V47-F75 PolarHBondContact N-O 3.38Å; P49-F75 HydrophobicContact CB-CD2 4.41Å; P49-F75 HydrophobicContact CB-CE1 4.12Å; P49-F75 HydrophobicContact CB-CE2 3.96Å; P49-F75 HydrophobicContact CB-CZ 3.8Å; P49-F75 HydrophobicContact CG-CD2 4.16Å; P49-F75 HydrophobicContact CG-CE2 3.71Å; P49-F75 HydrophobicContact CG-CZ 4.03Å; F75-L87 VanDerWaalsContact CA-O 3.26Å; F75-L87 WeakPolarHBondContact CA-O 3.32Å; F75-N88 HydrophobicContact CD1-CB 3.98Å; F75-N88 HydrophobicContact CE1-CB 3.8Å
76	Y	83.4	Confident	66.1	Low	30 Å²	30	80.2 Å²	80.2	12%	0.118	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.6	-179.6	-90	-79.3	0	0	0	110.3	P44 V45 R46 L74 L87 L89 N139 L143	P44-Y76 HydrophobicContact CB-CD1 3.98Å; P44-Y76 HydrophobicContact CB-CE1 4.36Å; V45-Y76 CarbonylContact O-C 3.51Å; V45-Y76 WeakPolarHBondContact O-CA 3.44Å; V45-Y76 WeakPolarHBondContact O-CD1 3.45Å; R46-Y76 HydrophobicContact CB-CD1 4.28Å; R46-Y76 HydrophobicContact CB-CE1 3.91Å; L74-Y76 HydrophobicContact CD1-CE2 4.11Å; Y76-L87 PolarHBondContact N-O 3.04Å; Y76-L87 VanDerWaalsContact N-O 3.14Å; Y76-L87 WeakPolarHBondContact O-CB 3.45Å; Y76-L87 WeakPolarHBondContact O-CG 3.49Å; Y76-L87 PolarHBondContact O-N 2.9Å; Y76-L89 HydrophobicContact CD2-CD1 4.03Å; Y76-N139 PolarHBondContact OH-ND2 3Å; Y76-L143 HydrophobicContact CD1-CD1 4.1Å; Y76-L143 HydrophobicContact CD2-CD1 4.47Å; Y76-L143 HydrophobicContact CD2-CD2 4.46Å; Y76-L143 HydrophobicContact CE1-CD1 4.47Å; Y76-L143 HydrophobicContact CE2-CD2 4.28Å; Y76-L143 HydrophobicContact CG-CD1 4.1Å
77	Q	83	Confident	68.4	Low	45 Å²	45	68.9 Å²	68.9	21%	0.21	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.4	168.6	-173	174.4	-16.3	0	0	109.9	P44 V45 V47 S79 N84 F85 L86	P44-Q77 WeakPolarHBondContact CA-O 3.24Å; V45-Q77 PolarHBondContact N-O 2.97Å; V45-Q77 PolarHBondContact O-N 2.83Å; V47-Q77 HydrophobicContact CG1-CB 4.05Å; V47-Q77 HydrophobicContact CG2-CB 4.25Å; Q77-S79 PolarHBondContact NE2-OG 2.81Å; Q77-N84 VanDerWaalsContact CG-OD1 3.28Å; Q77-N84 WeakPolarHBondContact CG-OD1 3.23Å; Q77-N84 PolarHBondContact NE2-ND2 2.93Å; Q77-N84 VanDerWaalsContact NE2-ND2 3.18Å; Q77-N84 PolarHBondContact NE2-OD1 3.44Å; Q77-F85 WeakPolarHBondContact CA-O 3.06Å; Q77-L86 HydrophobicContact CB-CD1 4.41Å
78	L	82.8	Confident	70.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	95	174.1	-81.6	168.1	0	0	0	109.1	A42 P44 N84 F85 L87 I147 I156	A42-L78 HydrophobicContact CB-CD2 3.69Å; P44-L78 HydrophobicContact CB-CD2 3.62Å; P44-L78 HydrophobicContact CB-CG 4.26Å; P44-L78 HydrophobicContact CG-CD2 4.13Å; L78-N84 WeakPolarHBondContact O-CA 3.29Å; L78-F85 HydrophobicContact CB-CB 4.18Å; L78-F85 HydrophobicContact CB-CD2 4.36Å; L78-F85 PolarHBondContact N-O 2.75Å; L78-F85 PolarHBondContact O-N 3.04Å; L78-L87 HydrophobicContact CD1-CD1 3.66Å; L78-L87 HydrophobicContact CD1-CD2 4.49Å; L78-L87 HydrophobicContact CD1-CG 4.34Å; L78-L87 HydrophobicContact CG-CD1 4.32Å; L78-I147 HydrophobicContact CD1-CD1 3.74Å; L78-I156 HydrophobicContact CD1-CD1 3.63Å; L78-I156 HydrophobicContact CD2-CD1 3.49Å; L78-I156 VanDerWaalsContact CD2-CD1 3.49Å; L78-I156 HydrophobicContact CG-CD1 4.24Å
79	S	78.9	Confident	72.5	Confident	58 Å²	58	56.4 Å²	56.4	41%	0.406	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.3	172.5	-53	0	0	0	0	110.5	Q77 N84	Q77-S79 PolarHBondContact NE2-OG 2.81Å; S79-N84 PolarHBondContact OG-OD1 3.26Å; S79-N84 VanDerWaalsContact OG-OD1 3.07Å
80	T	73.9	Confident	74.2	Confident	25 Å²	25	54.2 Å²	54.2	15%	0.153	28%	0.282	C	S	.	.			trans	-119.7	-172.2	166.9	70	0	0	0	0	110.3	E40 A42 Q82 N83 V181	E40-T80 HydrophobicContact CB-CG2 4.22Å; E40-T80 WeakPolarHBondContact OE2-CB 3.34Å; E40-T80 PolarHBondContact OE2-OG1 2.81Å; A42-T80 HydrophobicContact CB-CG2 3.81Å; T80-Q82 VanDerWaalsContact C-N 3.32Å; T80-Q82 PolarHBondContact OG1-N 3.02Å; T80-N83 PolarHBondContact N-O 3.44Å; T80-N83 PolarHBondContact OG1-N 3.14Å; T80-N83 PolarHBondContact OG1-O 2.03Å; T80-V181 HydrophobicContact CG2-CG2 4.46Å
81	S	69.8	Low	75.2	Confident	109 Å²	109	50.2 Å²	50.2	76%	0.762	26%	0.264	S	S	*	.	S	Bend	trans	-76.8	-14.3	175.6	52.1	0	0	0	0	114.3
82	Q	65.1	Low	75.2	Confident	153 Å²	153	49.6 Å²	49.6	72%	0.715	26%	0.259	S	S	*	.	S	Bend	trans	-123.5	-21.2	179.5	-58.2	-168.5	10.1	0	0	114.2	E40 T80	E40-Q82 PolarHBondContact OE2-N 2.8Å; T80-Q82 VanDerWaalsContact C-N 3.32Å; T80-Q82 PolarHBondContact OG1-N 3.02Å
83	N	69.3	Low	74.7	Confident	49 Å²	49	45.1 Å²	45.1	26%	0.262	25%	0.251	S	S	.	.			trans	-136.4	155.1	-172.4	-61.8	-84.6	0	0	0	111.3	T80 F85	T80-N83 PolarHBondContact N-O 3.44Å; T80-N83 PolarHBondContact OG1-N 3.14Å; T80-N83 PolarHBondContact OG1-O 2.03Å; N83-F85 HydrophobicContact CB-CD2 4.35Å; N83-F85 HydrophobicContact CB-CE1 4.22Å; N83-F85 HydrophobicContact CB-CE2 3.66Å; N83-F85 HydrophobicContact CB-CZ 3.58Å
84	N	80.8	Confident	74	Confident	93 Å²	93	42.6 Å²	42.6	50%	0.497	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	110.5	169.4	-175.7	28.2	0	0	0	109.2	Q77 L78 S79	Q77-N84 VanDerWaalsContact CG-OD1 3.28Å; Q77-N84 WeakPolarHBondContact CG-OD1 3.23Å; Q77-N84 PolarHBondContact NE2-ND2 2.93Å; Q77-N84 VanDerWaalsContact NE2-ND2 3.18Å; Q77-N84 PolarHBondContact NE2-OD1 3.44Å; L78-N84 WeakPolarHBondContact O-CA 3.29Å; S79-N84 PolarHBondContact OG-OD1 3.26Å; S79-N84 VanDerWaalsContact OG-OD1 3.07Å
85	F	84.4	Confident	72.8	Confident	11 Å²	11	42.2 Å²	42.2	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.6	-176.7	-54.8	-70.3	0	0	0	110.3	Q77 L78 N83 L87 L126 I147 Y154	Q77-F85 WeakPolarHBondContact CA-O 3.06Å; L78-F85 HydrophobicContact CB-CB 4.18Å; L78-F85 HydrophobicContact CB-CD2 4.36Å; L78-F85 PolarHBondContact N-O 2.75Å; L78-F85 PolarHBondContact O-N 3.04Å; N83-F85 HydrophobicContact CB-CD2 4.35Å; N83-F85 HydrophobicContact CB-CE1 4.22Å; N83-F85 HydrophobicContact CB-CE2 3.66Å; N83-F85 HydrophobicContact CB-CZ 3.58Å; F85-L87 HydrophobicContact CB-CD2 4Å; F85-L126 HydrophobicContact CB-CD2 3.81Å; F85-L126 HydrophobicContact CD1-CD1 3.78Å; F85-L126 HydrophobicContact CD1-CD2 3.94Å; F85-L126 HydrophobicContact CE1-CD1 4.35Å; F85-L126 HydrophobicContact CG-CD2 4.29Å; F85-I147 HydrophobicContact CD1-CG2 4.31Å; F85-I147 HydrophobicContact CD2-CD1 4.4Å; F85-I147 HydrophobicContact CE1-CG2 4.42Å; F85-Y154 HydrophobicContact CZ-CD1 4.46Å; F85-Y154 HydrophobicContact CZ-CD2 4.28Å; F85-Y154 HydrophobicContact CZ-CE2 4.37Å; F85-Y154 HydrophobicContact CZ-CG 4.34Å
86	L	87.3	Confident	71.7	Confident	34 Å²	34	41 Å²	41	18%	0.178	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	103.9	169.5	-177.7	59.7	0	0	0	109.2	V47 Q77 L126 Q127	V47-L86 HydrophobicContact CG2-CD1 3.61Å; Q77-L86 HydrophobicContact CB-CD1 4.41Å; L86-L126 CarbonylContact O-C 3.49Å; L86-L126 WeakPolarHBondContact O-CA 3.14Å; L86-Q127 HydrophobicContact CB-CB 4.26Å; L86-Q127 HydrophobicContact CD2-CB 3.89Å; L86-Q127 HydrophobicContact CD2-CG 4.09Å; L86-Q127 HydrophobicContact CG-CB 3.91Å; L86-Q127 PolarHBondContact O-N 3.13Å
87	L	84.4	Confident	70.5	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.8	-174.6	-47.2	177.2	0	0	0	111.2	F75 Y76 L78 F85 L89 L126 V135 L137 L143 I147	F75-L87 VanDerWaalsContact CA-O 3.26Å; F75-L87 WeakPolarHBondContact CA-O 3.32Å; Y76-L87 PolarHBondContact N-O 3.04Å; Y76-L87 VanDerWaalsContact N-O 3.14Å; Y76-L87 WeakPolarHBondContact O-CB 3.45Å; Y76-L87 WeakPolarHBondContact O-CG 3.49Å; Y76-L87 PolarHBondContact O-N 2.9Å; L78-L87 HydrophobicContact CD1-CD1 3.66Å; L78-L87 HydrophobicContact CD1-CD2 4.49Å; L78-L87 HydrophobicContact CD1-CG 4.34Å; L78-L87 HydrophobicContact CG-CD1 4.32Å; F85-L87 HydrophobicContact CB-CD2 4Å; L87-L89 HydrophobicContact CB-CD1 4.32Å; L87-L89 HydrophobicContact CB-CD2 4.24Å; L87-L89 HydrophobicContact CB-CG 4.07Å; L87-L89 HydrophobicContact CD1-CD1 4.47Å; L87-L126 HydrophobicContact CD2-CD2 3.58Å; L87-V135 HydrophobicContact CD2-CG1 4.22Å; L87-V135 HydrophobicContact CD2-CG2 4.08Å; L87-L137 HydrophobicContact CD1-CD1 3.38Å; L87-L143 HydrophobicContact CD1-CD1 4.44Å; L87-I147 HydrophobicContact CD2-CD1 3.89Å; L87-I147 HydrophobicContact CD2-CG1 4.2Å
88	N	83.6	Confident	69.2	Low	22 Å²	22	46 Å²	46	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.8	168.7	178.4	-9.5	0	0	0	108.8	F75 G124 H125 Q127	F75-N88 HydrophobicContact CD1-CB 3.98Å; F75-N88 HydrophobicContact CE1-CB 3.8Å; N88-G124 CarbonylContact O-C 3.46Å; N88-G124 WeakPolarHBondContact O-CA 3.17Å; N88-H125 PolarHBondContact N-O 3.24Å; N88-H125 PolarHBondContact ND2-NE2 3.44Å; N88-H125 PolarHBondContact O-N 2.94Å; N88-Q127 VanDerWaalsContact CB-OE1 3.32Å; N88-Q127 PolarHBondContact ND2-OE1 2.95Å
89	L	74.1	Confident	68.3	Low	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.6	-159.7	-64.3	-177.1	0	0	0	113	L73 L74 Y76 L87 Y122 V135 L137	L73-L89 CarbonylContact C-O 3.59Å; L73-L89 WeakPolarHBondContact CA-O 3.22Å; L74-L89 HydrophobicContact CB-CB 4.21Å; L74-L89 PolarHBondContact N-O 2.87Å; L74-L89 WeakPolarHBondContact O-CB 3.32Å; L74-L89 PolarHBondContact O-N 2.98Å; Y76-L89 HydrophobicContact CD2-CD1 4.03Å; L87-L89 HydrophobicContact CB-CD1 4.32Å; L87-L89 HydrophobicContact CB-CD2 4.24Å; L87-L89 HydrophobicContact CB-CG 4.07Å; L87-L89 HydrophobicContact CD1-CD1 4.47Å; L89-Y122 HydrophobicContact CB-CD1 4.39Å; L89-Y122 HydrophobicContact CB-CG 4.16Å; L89-V135 HydrophobicContact CD2-CB 4.18Å; L89-V135 HydrophobicContact CD2-CG1 3.6Å; L89-L137 HydrophobicContact CD1-CD1 4.31Å; L89-L137 HydrophobicContact CD2-CD1 4.36Å
90	T	73.8	Confident	67.8	Low	54 Å²	54	46.3 Å²	46.3	33%	0.331	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.4	-174.2	-49.2	0	0	0	0	113.4	R72 L73 Y122 T123	R72-T90 WeakPolarHBondContact O-CA 3.46Å; L73-T90 HydrophobicContact CD2-CG2 4.17Å; L73-T90 VanDerWaalsContact CD2-OG1 3.27Å; L73-T90 WeakPolarHBondContact CD2-OG1 3.23Å; T90-Y122 VanDerWaalsContact O-CA 3.32Å; T90-Y122 WeakPolarHBondContact O-CA 3.48Å; T90-T123 PolarHBondContact N-O 2.68Å; T90-T123 PolarHBondContact O-N 2.88Å
91	L	63	Low	67.8	Low	35 Å²	35	49.6 Å²	49.6	18%	0.183	26%	0.26	C	S	.	.			trans	-91.9	145.1	177.7	-163	76.7	0	0	0	113	R72 H119 Y122	R72-L91 PolarHBondContact O-N 2.85Å; L91-H119 HydrophobicContact CD1-CB 4.39Å; L91-H119 HydrophobicContact CD2-CB 4.15Å; L91-Y122 HydrophobicContact CB-CD1 4.19Å; L91-Y122 HydrophobicContact CB-CE1 4.04Å; L91-Y122 HydrophobicContact CD1-CD1 4.27Å; L91-Y122 HydrophobicContact CD1-CE1 3.93Å
92	Q	51.6	Low	68.2	Low	74 Å²	74	44.4 Å²	44.4	35%	0.346	22%	0.224	S	C	.	.			trans	-146.2	171.9	-157.2	-147.1	-169.4	-11.6	0	0	114.5	T123 V461 T464	Q92-T123 PolarHBondContact OE1-OG1 2.76Å; Q92-T123 VanDerWaalsContact OE1-OG1 3.13Å; Q92-V461 VanDerWaalsContact C-CB 3.47Å; Q92-V461 HydrophobicContact CB-CB 3.67Å; Q92-V461 HydrophobicContact CB-CG1 4.12Å; Q92-V461 HydrophobicContact CB-CG2 3.42Å; Q92-V461 VanDerWaalsContact CB-CG2 3.42Å; Q92-V461 HydrophobicContact CG-CB 4.24Å; Q92-V461 HydrophobicContact CG-CG2 3.41Å; Q92-V461 VanDerWaalsContact CG-CG2 3.41Å; Q92-T464 VanDerWaalsContact NE2-CG2 3.31Å
93	G	51.7	Low	69.1	Low	29 Å²	29	37.8 Å²	37.8	30%	0.299	19%	0.193	S	C	.	.			trans	-144.8	174.8	-169.8	0	0	0	0	0	121.3	F460	G93-F460 CarbonylContact C-O 3.49Å
94	G	53.6	Low	69.7	Low	30 Å²	30	36.3 Å²	36.3	31%	0.309	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	160	-97.9	-167	0	0	0	0	0	122.1	F460	G94-F460 CarbonylContact C-O 3.58Å; G94-F460 WeakPolarHBondContact CA-O 3.49Å; G94-F460 VanDerWaalsContact N-C 3.26Å; G94-F460 PolarHBondContact N-O 2.83Å
95	L	52.3	Low	69.8	Low	7 Å²	7	32.7 Å²	32.7	4%	0.037	16%	0.163	C	C	.	.	S	Bend	trans	-85.4	-37.6	-150	-175.7	61.2	0	0	0	120.3	A269 F460 Y462	L95-A269 HydrophobicContact CD1-CB 4.11Å; L95-F460 HydrophobicContact CB-CD1 3.39Å; L95-F460 HydrophobicContact CB-CE1 3.87Å; L95-F460 HydrophobicContact CB-CG 4.37Å; L95-F460 HydrophobicContact CD2-CD1 4.4Å; L95-F460 HydrophobicContact CD2-CE1 4.07Å; L95-F460 HydrophobicContact CG-CD1 4.48Å; L95-F460 PolarHBondContact N-O 2.71Å; L95-Y462 HydrophobicContact CB-CD1 4.48Å; L95-Y462 HydrophobicContact CB-CE1 3.71Å; L95-Y462 HydrophobicContact CD1-CE1 3.95Å; L95-Y462 WeakPolarHBondContact CD1-OH 3.45Å; L95-Y462 HydrophobicContact CD2-CE1 4.07Å; L95-Y462 HydrophobicContact CG-CE1 4.1Å
96	L	59.4	Low	69.7	Low	4 Å²	4	36.4 Å²	36.4	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	162.7	-160.5	-60.7	173	0	0	0	113.2	F100 Y116 L262 V285 Q458 F460	L96-F100 HydrophobicContact CB-CB 4.13Å; L96-F100 HydrophobicContact CB-CD1 4.41Å; L96-F100 HydrophobicContact CB-CG 4.32Å; L96-F100 HydrophobicContact CD1-CD1 3.61Å; L96-F100 HydrophobicContact CD1-CE1 3.89Å; L96-F100 HydrophobicContact CD1-CG 4.3Å; L96-F100 HydrophobicContact CD2-CD1 4.02Å; L96-F100 HydrophobicContact CD2-CD2 4.2Å; L96-F100 HydrophobicContact CD2-CE1 4.14Å; L96-F100 HydrophobicContact CD2-CE2 4.35Å; L96-F100 HydrophobicContact CD2-CG 4.06Å; L96-F100 HydrophobicContact CD2-CZ 4.32Å; L96-F100 HydrophobicContact CG-CD1 4.23Å; L96-F100 HydrophobicContact CG-CG 4.46Å; L96-Y116 HydrophobicContact CD1-CD1 3.81Å; L96-Y116 HydrophobicContact CD1-CE1 4.21Å; L96-L262 HydrophobicContact CD2-CD2 3.94Å; L96-V285 HydrophobicContact CD2-CB 4.07Å; L96-Q458 WeakPolarHBondContact O-CA 3.32Å; L96-Q458 WeakPolarHBondContact O-CB 2.83Å; L96-Q458 PolarHBondContact O-N 2.87Å; L96-F460 HydrophobicContact CB-CB 3.89Å; L96-F460 HydrophobicContact CB-CG 4.36Å; L96-F460 HydrophobicContact CD1-CB 3.82Å; L96-F460 HydrophobicContact CD1-CD1 4.28Å; L96-F460 HydrophobicContact CD1-CD2 3.28Å; L96-F460 HydrophobicContact CD1-CE2 3.86Å; L96-F460 HydrophobicContact CD1-CG 3.52Å; L96-F460 HydrophobicContact CG-CB 3.74Å; L96-F460 HydrophobicContact CG-CD1 4.03Å; L96-F460 HydrophobicContact CG-CD2 3.94Å; L96-F460 HydrophobicContact CG-CG 3.62Å
97	S	57.3	Low	69.4	Low	9 Å²	9	43.4 Å²	43.4	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	154.7	169	79.4	0	0	0	0	112.1	Q99 F100 V285 Q458	S97-Q99 PolarHBondContact O-N 2.78Å; S97-F100 WeakPolarHBondContact O-CB 3.2Å; S97-F100 PolarHBondContact O-N 2.76Å; S97-F100 VanDerWaalsContact O-N 3.1Å; S97-F100 PolarHBondContact OG-N 3.46Å; S97-V285 PolarHBondContact N-O 2.85Å; S97-Q458 PolarHBondContact O-OE1 3.12Å
98	R	56.3	Low	68.7	Low	170 Å²	170	44.1 Å²	44.1	64%	0.642	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60	-13.6	-178.6	-77.6	-174.6	-173.5	-165.1	-4.1	115.7	P456 K457 Q458	R98-P456 HydrophobicContact CB-CB 4.43Å; R98-P456 WeakPolarHBondContact CB-O 3.12Å; R98-P456 HydrophobicContact CG-CB 4.42Å; R98-P456 WeakPolarHBondContact CG-O 3.48Å; R98-P456 PolarHBondContact N-O 2.83Å; R98-K457 VanDerWaalsContact CG-O 3.26Å; R98-K457 WeakPolarHBondContact CG-O 3.14Å; R98-K457 PolarHBondContact NE-O 3.48Å; R98-Q458 HydrophobicContact CG-CB 4.1Å; R98-Q458 PolarHBondContact O-OE1 2.05Å
99	Q	63.2	Low	68.2	Low	61 Å²	61	50.3 Å²	50.3	29%	0.285	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	20.8	179.8	-68.3	126.4	-38.9	0	0	112.2	S97 R101 N332 I334	S97-Q99 PolarHBondContact O-N 2.78Å; Q99-R101 WeakPolarHBondContact O-CG 3.47Å; Q99-R101 PolarHBondContact O-N 2.68Å; Q99-N332 VanDerWaalsContact CD-O 3.25Å; Q99-N332 PolarHBondContact NE2-O 2.02Å; Q99-N332 PolarHBondContact OE1-O 3.46Å; Q99-I334 HydrophobicContact CB-CB 4.48Å; Q99-I334 HydrophobicContact CB-CD1 3.96Å; Q99-I334 HydrophobicContact CB-CG1 3.81Å; Q99-I334 HydrophobicContact CB-CG2 4.27Å; Q99-I334 HydrophobicContact CG-CD1 3.86Å; Q99-I334 HydrophobicContact CG-CG1 3.92Å
100	F	69.9	Low	68.4	Low	4 Å²	4	54.5 Å²	54.5	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	133.9	178.1	167.4	-94.7	0	0	0	111.5	L96 S97 V102 Y116 L262 V285 T286 L288	L96-F100 HydrophobicContact CB-CB 4.13Å; L96-F100 HydrophobicContact CB-CD1 4.41Å; L96-F100 HydrophobicContact CB-CG 4.32Å; L96-F100 HydrophobicContact CD1-CD1 3.61Å; L96-F100 HydrophobicContact CD1-CE1 3.89Å; L96-F100 HydrophobicContact CD1-CG 4.3Å; L96-F100 HydrophobicContact CD2-CD1 4.02Å; L96-F100 HydrophobicContact CD2-CD2 4.2Å; L96-F100 HydrophobicContact CD2-CE1 4.14Å; L96-F100 HydrophobicContact CD2-CE2 4.35Å; L96-F100 HydrophobicContact CD2-CG 4.06Å; L96-F100 HydrophobicContact CD2-CZ 4.32Å; L96-F100 HydrophobicContact CG-CD1 4.23Å; L96-F100 HydrophobicContact CG-CG 4.46Å; S97-F100 WeakPolarHBondContact O-CB 3.2Å; S97-F100 PolarHBondContact O-N 2.76Å; S97-F100 VanDerWaalsContact O-N 3.1Å; S97-F100 PolarHBondContact OG-N 3.46Å; F100-V102 HydrophobicContact CE1-CG2 4.09Å; F100-V102 HydrophobicContact CZ-CG2 4.12Å; F100-Y116 VanDerWaalsContact CD1-CB 3.43Å; F100-Y116 HydrophobicContact CD1-CG 4.15Å; F100-Y116 HydrophobicContact CE1-CD1 4.39Å; F100-Y116 HydrophobicContact CE1-CD2 4.14Å; F100-Y116 AromaticContact CE1-CG 3.75Å; F100-Y116 HydrophobicContact CE1-CG 3.75Å; F100-Y116 PolarHBondContact O-N 3.37Å; F100-L262 HydrophobicContact CZ-CD2 4.24Å; F100-V285 HydrophobicContact CD2-CG1 4Å; F100-V285 HydrophobicContact CE2-CB 4.49Å; F100-V285 HydrophobicContact CE2-CG1 3.58Å; F100-T286 WeakPolarHBondContact CA-O 3.28Å; F100-T286 WeakPolarHBondContact CD2-O 3.37Å; F100-L288 HydrophobicContact CE2-CB 3.79Å; F100-L288 HydrophobicContact CZ-CB 3.71Å
101	R	73	Confident	68.6	Low	94 Å²	94	54.7 Å²	54.7	36%	0.355	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.5	-173.9	-77.1	164.9	-179.7	-108.8	1.2	110.3	Q99 H114 L288	Q99-R101 WeakPolarHBondContact O-CG 3.47Å; Q99-R101 PolarHBondContact O-N 2.68Å; R101-H114 WeakPolarHBondContact CA-O 3.29Å; R101-L288 PolarHBondContact O-N 2.87Å
102	V	77.4	Confident	69	Low	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.6	165.4	-171.5	0	0	0	0	108.1	F100 Y104 S113 H114 Y116 E258 L288 L290	F100-V102 HydrophobicContact CE1-CG2 4.09Å; F100-V102 HydrophobicContact CZ-CG2 4.12Å; V102-Y104 HydrophobicContact CG1-CD2 4.23Å; V102-Y104 HydrophobicContact CG1-CE2 3.67Å; V102-S113 VanDerWaalsContact O-CA 3.27Å; V102-S113 WeakPolarHBondContact O-CA 3.32Å; V102-S113 WeakPolarHBondContact O-CB 3.39Å; V102-H114 PolarHBondContact N-O 3.23Å; V102-H114 PolarHBondContact O-N 2.54Å; V102-Y116 HydrophobicContact CG2-CD2 4.05Å; V102-E258 HydrophobicContact CG1-CG 4.08Å; V102-E258 HydrophobicContact CG2-CG 4.46Å; V102-L288 WeakPolarHBondContact CA-O 3.27Å; V102-L288 HydrophobicContact CG1-CD2 4.18Å; V102-L288 HydrophobicContact CG1-CG 4.25Å; V102-L288 HydrophobicContact CG2-CB 4.36Å; V102-L288 HydrophobicContact CG2-CD2 4.23Å; V102-L290 HydrophobicContact CG1-CD1 3.99Å; V102-L290 HydrophobicContact CG1-CG 4.28Å
103	E	83.8	Confident	70.2	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.065	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.7	-173.5	-71.5	177	-146.5	0	0	110.9	W105 L110 R287 L288 I289 L290	E103-W105 PolarHBondContact OE2-NE1 3Å; E103-L110 HydrophobicContact CB-CD1 3.64Å; E103-L110 HydrophobicContact CG-CD1 3.88Å; E103-R287 IonicContact OE1-CZ 3.5Å; E103-R287 IonicContact OE1-NE 3.24Å; E103-R287 PolarHBondContact OE1-NE 2.93Å; E103-R287 IonicContact OE1-NH2 2.82Å; E103-R287 PolarHBondContact OE1-NH2 2.98Å; E103-R287 IonicContact OE2-CZ 3.43Å; E103-R287 IonicContact OE2-NH2 2.78Å; E103-R287 PolarHBondContact OE2-NH2 3.17Å; E103-L288 PolarHBondContact N-O 3.46Å; E103-I289 HydrophobicContact CB-CG1 4.3Å; E103-I289 WeakPolarHBondContact O-CA 3.31Å; E103-L290 PolarHBondContact O-N 2.87Å
104	Y	82.9	Confident	70.7	Confident	17 Å²	17	58.7 Å²	58.7	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.7	-178.9	-70.9	-109.6	0	0	0	108.9	V102 A111 W112 H114 E258 L290 M292	V102-Y104 HydrophobicContact CG1-CD2 4.23Å; V102-Y104 HydrophobicContact CG1-CE2 3.67Å; Y104-A111 WeakPolarHBondContact O-CA 3.28Å; Y104-A111 WeakPolarHBondContact O-CB 3.17Å; Y104-A111 PolarHBondContact O-N 3.27Å; Y104-W112 HydrophobicContact CD2-CD2 4.46Å; Y104-W112 AromaticContact CD2-CE3 3.47Å; Y104-W112 HydrophobicContact CD2-CE3 3.47Å; Y104-W112 VanDerWaalsContact CD2-CE3 3.47Å; Y104-W112 AromaticContact CD2-CZ3 3.93Å; Y104-W112 HydrophobicContact CD2-CZ3 3.93Å; Y104-W112 AromaticContact CE2-CE3 3.58Å; Y104-W112 HydrophobicContact CE2-CE3 3.58Å; Y104-W112 AromaticContact CE2-CZ3 3.51Å; Y104-W112 HydrophobicContact CE2-CZ3 3.51Å; Y104-W112 AromaticContact CG-CE3 4Å; Y104-W112 HydrophobicContact CG-CE3 4Å; Y104-W112 AromaticContact CZ-CZ3 3.93Å; Y104-W112 PolarHBondContact N-O 2.89Å; Y104-W112 PolarHBondContact O-N 2.85Å; Y104-H114 AromaticContact CE2-NE2 3.63Å; Y104-E258 PolarHBondContact OH-OE1 2.9Å; Y104-L290 WeakPolarHBondContact CA-O 3.21Å; Y104-L290 HydrophobicContact CD1-CB 4.39Å; Y104-L290 HydrophobicContact CD1-CD1 4.36Å; Y104-L290 HydrophobicContact CE1-CD1 3.78Å; Y104-L290 HydrophobicContact CE2-CD1 4.13Å; Y104-M292 HydrophobicContact CD1-CE 4.17Å; Y104-M292 HydrophobicContact CD1-CG 4.39Å; Y104-M292 HydrophobicContact CD1-SD 3.58Å; Y104-M292 VanDerWaalsContact CD1-SD 3.58Å; Y104-M292 HydrophobicContact CE1-SD 4.33Å; Y104-M292 HydrophobicContact CG-SD 4.46Å
105	W	83.8	Confident	71.1	Confident	17 Å²	17	61.1 Å²	61.1	6%	0.064	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.7	-170.5	-78.9	60.8	0	0	0	113.1	E103 Q109 I289 L290 L291 M292 I318	E103-W105 PolarHBondContact OE2-NE1 3Å; W105-Q109 WeakPolarHBondContact CA-O 3.06Å; W105-I289 HydrophobicContact CG-CG2 4.02Å; W105-L290 PolarHBondContact N-O 2.93Å; W105-L291 HydrophobicContact CB-CD2 3.97Å; W105-M292 WeakPolarHBondContact O-CB 3.05Å; W105-M292 WeakPolarHBondContact O-CG 3.36Å; W105-M292 PolarHBondContact O-N 2.84Å; W105-I318 HydrophobicContact CH2-CD1 3.63Å; W105-I318 HydrophobicContact CZ2-CD1 4.27Å; W105-I318 HydrophobicContact CZ3-CD1 4.12Å
106	K	82.2	Confident	71.1	Confident	90 Å²	90	62.6 Å²	62.6	39%	0.391	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.9	173.8	-72.5	-177.7	168.3	-159	0	110.3	G108 Q109 A111 M292 E293	K106-G108 PolarHBondContact O-N 2.91Å; K106-Q109 PolarHBondContact N-O 2.85Å; K106-Q109 PolarHBondContact O-N 2.81Å; K106-A111 HydrophobicContact CB-CB 4.16Å; K106-A111 HydrophobicContact CD-CB 3.84Å; K106-A111 HydrophobicContact CG-CB 3.83Å; K106-M292 HydrophobicContact CG-CB 3.92Å; K106-M292 HydrophobicContact CG-CG 4.44Å; K106-E293 VanDerWaalsContact CD-OE1 3.29Å; K106-E293 WeakPolarHBondContact CD-OE1 3.02Å; K106-E293 WeakPolarHBondContact CE-OE1 3.29Å; K106-E293 HydrophobicContact CG-CG 4.46Å; K106-E293 IonicContact NZ-OE1 3.56Å
107	R	80	Confident	70.8	Confident	180 Å²	180	65.5 Å²	65.5	68%	0.679	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	38.2	170.6	-54.3	-172.5	-172.4	-155.3	-3.4	115.1	E293 P296	R107-E293 HydrophobicContact CG-CB 4.41Å; R107-E293 IonicContact CZ-OE2 2.71Å; R107-E293 VanDerWaalsContact CZ-OE2 3.31Å; R107-E293 IonicContact NE-OE2 3.78Å; R107-E293 PolarHBondContact NE-OE2 3.46Å; R107-E293 IonicContact NH2-OE2 2.65Å; R107-E293 PolarHBondContact NH2-OE2 3.18Å; R107-P296 VanDerWaalsContact C-CD 3.49Å
108	G	69.1	Low	70.5	Confident	16 Å²	16	67.6 Å²	67.6	17%	0.165	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	3.7	179	0	0	0	0	0	115.9	K106 Q295 R321	K106-G108 PolarHBondContact O-N 2.91Å; G108-Q295 VanDerWaalsContact CA-OE1 3.3Å; G108-R321 PolarHBondContact O-NH1 3.11Å
109	Q	73.4	Confident	70.5	Confident	152 Å²	152	65.3 Å²	65.3	71%	0.71	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.5	175.9	-64.6	-176	-10.6	0	0	111.7	W105 K106 A111	W105-Q109 WeakPolarHBondContact CA-O 3.06Å; K106-Q109 PolarHBondContact N-O 2.85Å; K106-Q109 PolarHBondContact O-N 2.81Å; Q109-A111 PolarHBondContact O-N 2.98Å
110	L	78.1	Confident	70.3	Confident	87 Å²	87	62.9 Å²	62.9	46%	0.455	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	114.1	170.9	-176.3	67.6	0	0	0	109.3	E103 W112	E103-L110 HydrophobicContact CB-CD1 3.64Å; E103-L110 HydrophobicContact CG-CD1 3.88Å; L110-W112 VanDerWaalsContact CD1-O 3.31Å; L110-W112 WeakPolarHBondContact CD1-O 3.27Å
111	A	77.8	Confident	69.9	Low	59 Å²	59	66.1 Å²	66.1	49%	0.488	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-33.1	-179.2	0	0	0	0	0	112.6	Y104 K106 Q109	Y104-A111 WeakPolarHBondContact O-CA 3.28Å; Y104-A111 WeakPolarHBondContact O-CB 3.17Å; Y104-A111 PolarHBondContact O-N 3.27Å; K106-A111 HydrophobicContact CB-CB 4.16Å; K106-A111 HydrophobicContact CD-CB 3.84Å; K106-A111 HydrophobicContact CG-CB 3.83Å; Q109-A111 PolarHBondContact O-N 2.98Å
112	W	73.1	Confident	69.7	Low	148 Å²	148	62.8 Å²	62.8	56%	0.561	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.3	155.7	172.1	-177.7	55.9	0	0	0	110	Y104 L110 H114	Y104-W112 HydrophobicContact CD2-CD2 4.46Å; Y104-W112 AromaticContact CD2-CE3 3.47Å; Y104-W112 HydrophobicContact CD2-CE3 3.47Å; Y104-W112 VanDerWaalsContact CD2-CE3 3.47Å; Y104-W112 AromaticContact CD2-CZ3 3.93Å; Y104-W112 HydrophobicContact CD2-CZ3 3.93Å; Y104-W112 AromaticContact CE2-CE3 3.58Å; Y104-W112 HydrophobicContact CE2-CE3 3.58Å; Y104-W112 AromaticContact CE2-CZ3 3.51Å; Y104-W112 HydrophobicContact CE2-CZ3 3.51Å; Y104-W112 AromaticContact CG-CE3 4Å; Y104-W112 HydrophobicContact CG-CE3 4Å; Y104-W112 AromaticContact CZ-CZ3 3.93Å; Y104-W112 PolarHBondContact N-O 2.89Å; Y104-W112 PolarHBondContact O-N 2.85Å; L110-W112 VanDerWaalsContact CD1-O 3.31Å; L110-W112 WeakPolarHBondContact CD1-O 3.27Å; W112-H114 AromaticContact CE3-CD2 3.95Å; W112-H114 AromaticContact CH2-CD2 3.19Å; W112-H114 WeakPolarHBondContact CH2-CD2 3.27Å; W112-H114 AromaticContact CH2-CG 4Å; W112-H114 AromaticContact CH2-NE2 3.64Å; W112-H114 HydrophobicContact CZ2-CB 4.23Å; W112-H114 AromaticContact CZ2-CD2 3.64Å; W112-H114 AromaticContact CZ3-CD2 3.37Å; W112-H114 WeakPolarHBondContact CZ3-CD2 3.5Å; W112-H114 AromaticContact CZ3-NE2 3.6Å
113	S	74.9	Confident	69.3	Low	38 Å²	38	64.2 Å²	64.2	27%	0.266	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.3	167.5	67	0	0	0	0	110.6	V102	V102-S113 VanDerWaalsContact O-CA 3.27Å; V102-S113 WeakPolarHBondContact O-CA 3.32Å; V102-S113 WeakPolarHBondContact O-CB 3.39Å
114	H	64	Low	68.9	Low	36 Å²	36	64.4 Å²	64.4	17%	0.167	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.8	166.9	53.1	104.6	0	0	0	110.1	R101 V102 Y104 W112 E258	R101-H114 WeakPolarHBondContact CA-O 3.29Å; V102-H114 PolarHBondContact N-O 3.23Å; V102-H114 PolarHBondContact O-N 2.54Å; Y104-H114 AromaticContact CE2-NE2 3.63Å; W112-H114 AromaticContact CE3-CD2 3.95Å; W112-H114 AromaticContact CH2-CD2 3.19Å; W112-H114 WeakPolarHBondContact CH2-CD2 3.27Å; W112-H114 AromaticContact CH2-CG 4Å; W112-H114 AromaticContact CH2-NE2 3.64Å; W112-H114 HydrophobicContact CZ2-CB 4.23Å; W112-H114 AromaticContact CZ2-CD2 3.64Å; W112-H114 AromaticContact CZ3-CD2 3.37Å; W112-H114 WeakPolarHBondContact CZ3-CD2 3.5Å; W112-H114 AromaticContact CZ3-NE2 3.6Å; H114-E258 IonicContact CE1-OE1 3.38Å; H114-E258 IonicContact CE1-OE2 2.67Å; H114-E258 IonicContact NE2-OE1 3.73Å; H114-E258 PolarHBondContact NE2-OE1 2.9Å
115	P	61.7	Low	68.6	Low	81 Å²	81	65.9 Å²	65.9	53%	0.526	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	140.1	156.5	30	-33.4	0	0	0	108.1	S117	P115-S117 VanDerWaalsContact C-N 3.25Å; P115-S117 PolarHBondContact O-N 2.7Å
116	Y	52.8	Low	68.5	Low	38 Å²	38	65.2 Å²	65.2	15%	0.149	33%	0.334	C	S	.	.			trans	-78.9	86.8	168.7	-169.1	-86	0	0	0	108.4	L96 F100 V102 L262 F460	L96-Y116 HydrophobicContact CD1-CD1 3.81Å; L96-Y116 HydrophobicContact CD1-CE1 4.21Å; F100-Y116 VanDerWaalsContact CD1-CB 3.43Å; F100-Y116 HydrophobicContact CD1-CG 4.15Å; F100-Y116 HydrophobicContact CE1-CD1 4.39Å; F100-Y116 HydrophobicContact CE1-CD2 4.14Å; F100-Y116 AromaticContact CE1-CG 3.75Å; F100-Y116 HydrophobicContact CE1-CG 3.75Å; F100-Y116 PolarHBondContact O-N 3.37Å; V102-Y116 HydrophobicContact CG2-CD2 4.05Å; Y116-L262 HydrophobicContact CD2-CD1 4.38Å; Y116-L262 HydrophobicContact CE1-CD1 4.33Å; Y116-L262 HydrophobicContact CE2-CD1 3.73Å; Y116-F460 HydrophobicContact CD1-CD2 4.43Å; Y116-F460 AromaticContact CE1-CD2 3.91Å; Y116-F460 HydrophobicContact CE1-CD2 3.91Å; Y116-F460 AromaticContact CE1-CE2 3.64Å; Y116-F460 HydrophobicContact CE1-CE2 3.64Å
117	S	51.4	Low	68.3	Low	64 Å²	64	64 Å²	64	45%	0.448	33%	0.33	S	S	.	.			trans	-118.1	137.1	156.4	-174	0	0	0	0	104.7	P115 H119	P115-S117 VanDerWaalsContact C-N 3.25Å; P115-S117 PolarHBondContact O-N 2.7Å; S117-H119 PolarHBondContact OG-ND1 2.98Å
118	P	50.7	Low	68.1	Low	53 Å²	53	60.4 Å²	60.4	34%	0.344	32%	0.324	S	S	.	.				-140.7	138	102.6	23.1	-1.2	0	0	0	113.1	C120 C140	P118-C120 HydrophobicContact CB-CB 4.2Å; P118-C120 WeakPolarHBondContact CB-SG 3.44Å; P118-C120 WeakPolarHBondContact CG-SG 3.47Å; P118-C120 PolarHBondContact O-N 2.93Å; P118-C120 PolarHBondContact O-SG 3.06Å; P118-C140 HydrophobicContact CB-CB 4.47Å; P118-C140 HydrophobicContact CG-CB 4.19Å
119	H	56.6	Low	68.3	Low	122 Å²	122	62.4 Å²	62.4	57%	0.565	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	61.1	172.7	-65	37.9	0	0	0	109.4	L91 S117 Y122	L91-H119 HydrophobicContact CD1-CB 4.39Å; L91-H119 HydrophobicContact CD2-CB 4.15Å; S117-H119 PolarHBondContact OG-ND1 2.98Å; H119-Y122 PolarHBondContact O-OH 2.8Å; H119-Y122 VanDerWaalsContact O-OH 3.05Å
120	C	59.4	Low	68	Low	10 Å²	10	58.1 Å²	58.1	7%	0.068	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	-7	-171.4	61.7	0	0	0	0	113.5	P118 Y122 S138 N139 C140	P118-C120 HydrophobicContact CB-CB 4.2Å; P118-C120 WeakPolarHBondContact CB-SG 3.44Å; P118-C120 WeakPolarHBondContact CG-SG 3.47Å; P118-C120 PolarHBondContact O-N 2.93Å; P118-C120 PolarHBondContact O-SG 3.06Å; C120-Y122 VanDerWaalsContact C-CD2 3.48Å; C120-Y122 WeakPolarHBondContact O-CD2 3.28Å; C120-Y122 VanDerWaalsContact O-CE2 3.3Å; C120-Y122 WeakPolarHBondContact O-CE2 3.33Å; C120-S138 CarbonylContact O-C 3.54Å; C120-N139 HydrophobicContact CB-CB 4.34Å; C120-N139 PolarHBondContact O-N 2.74Å; C120-C140 HydrophobicContact CB-CB 3.81Å; C120-C140 WeakPolarHBondContact CB-SG 3.43Å; C120-C140 WeakPolarHBondContact SG-CB 3.19Å; C120-C140 CovalentContact SG-SG 2.02Å; C120-C140 PolarHBondContact SG-SG 3.06Å
121	H	61.4	Low	67.2	Low	73 Å²	73	62.6 Å²	62.6	34%	0.338	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.3	-179.3	-62.7	-68.5	0	0	0	108.7	C140	H121-C140 PolarHBondContact CE1-SG 3.1Å
122	Y	69.8	Low	66.3	Low	23 Å²	23	63.7 Å²	63.7	9%	0.09	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141	-175.9	-56.4	-91.6	0	0	0	111.4	L74 L89 T90 L91 H119 C120 L137 N139	L74-Y122 HydrophobicContact CD1-CD1 4.44Å; L74-Y122 HydrophobicContact CD1-CD2 4.21Å; L74-Y122 HydrophobicContact CD1-CE1 3.8Å; L74-Y122 HydrophobicContact CD1-CE2 3.51Å; L74-Y122 WeakPolarHBondContact CD1-OH 3.49Å; L74-Y122 HydrophobicContact CG-CE1 3.92Å; L74-Y122 HydrophobicContact CG-CE2 4.49Å; L89-Y122 HydrophobicContact CB-CD1 4.39Å; L89-Y122 HydrophobicContact CB-CG 4.16Å; T90-Y122 VanDerWaalsContact O-CA 3.32Å; T90-Y122 WeakPolarHBondContact O-CA 3.48Å; L91-Y122 HydrophobicContact CB-CD1 4.19Å; L91-Y122 HydrophobicContact CB-CE1 4.04Å; L91-Y122 HydrophobicContact CD1-CD1 4.27Å; L91-Y122 HydrophobicContact CD1-CE1 3.93Å; H119-Y122 PolarHBondContact O-OH 2.8Å; H119-Y122 VanDerWaalsContact O-OH 3.05Å; C120-Y122 VanDerWaalsContact C-CD2 3.48Å; C120-Y122 WeakPolarHBondContact O-CD2 3.28Å; C120-Y122 VanDerWaalsContact O-CE2 3.3Å; C120-Y122 WeakPolarHBondContact O-CE2 3.33Å; Y122-L137 PolarHBondContact N-O 3.11Å; Y122-L137 PolarHBondContact O-N 3Å; Y122-N139 HydrophobicContact CE2-CB 4.36Å
123	T	67.8	Low	65.6	Low	31 Å²	31	56.8 Å²	56.8	19%	0.19	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.8	168.3	60.4	0	0	0	0	109.9	T90 Q92 V135	T90-T123 PolarHBondContact N-O 2.68Å; T90-T123 PolarHBondContact O-N 2.88Å; Q92-T123 PolarHBondContact OE1-OG1 2.76Å; Q92-T123 VanDerWaalsContact OE1-OG1 3.13Å; T123-V135 CarbonylContact C-O 3.52Å; T123-V135 WeakPolarHBondContact CA-O 3.42Å
124	G	75.4	Confident	65.1	Low	18 Å²	18	61.8 Å²	61.8	19%	0.186	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-161.5	-168.2	0	0	0	0	0	114.9	N88 V135	N88-G124 CarbonylContact O-C 3.46Å; N88-G124 WeakPolarHBondContact O-CA 3.17Å; G124-V135 PolarHBondContact N-O 2.93Å; G124-V135 PolarHBondContact O-N 2.93Å
125	H	76.7	Confident	65.3	Low	47 Å²	47	60.3 Å²	60.3	22%	0.218	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	167.9	179.9	49.5	-91.9	0	0	0	110.2	N88	N88-H125 PolarHBondContact N-O 3.24Å; N88-H125 PolarHBondContact ND2-NE2 3.44Å; N88-H125 PolarHBondContact O-N 2.94Å
126	L	81.4	Confident	65.4	Low	3 Å²	3	58.1 Å²	58.1	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.8	161.6	-53.1	-177.9	0	0	0	109.2	F85 L86 L87 D128 Q129 S133 V135 I147 A149	F85-L126 HydrophobicContact CB-CD2 3.81Å; F85-L126 HydrophobicContact CD1-CD1 3.78Å; F85-L126 HydrophobicContact CD1-CD2 3.94Å; F85-L126 HydrophobicContact CE1-CD1 4.35Å; F85-L126 HydrophobicContact CG-CD2 4.29Å; L86-L126 CarbonylContact O-C 3.49Å; L86-L126 WeakPolarHBondContact O-CA 3.14Å; L87-L126 HydrophobicContact CD2-CD2 3.58Å; L126-D128 WeakPolarHBondContact CB-OD1 3.41Å; L126-D128 PolarHBondContact O-N 3.27Å; L126-Q129 HydrophobicContact CB-CB 4.33Å; L126-Q129 CarbonylContact O-C 3.49Å; L126-Q129 VanDerWaalsContact O-C 3.24Å; L126-Q129 PolarHBondContact O-N 3.3Å; L126-S133 WeakPolarHBondContact CB-OG 3.05Å; L126-S133 PolarHBondContact N-OG 3.31Å; L126-V135 HydrophobicContact CD2-CG2 4.12Å; L126-I147 HydrophobicContact CD2-CG2 4.01Å; L126-A149 HydrophobicContact CD1-CB 3.49Å; L126-A149 VanDerWaalsContact CD1-CB 3.49Å; L126-A149 HydrophobicContact CG-CB 4.46Å
127	Q	78.1	Confident	65.9	Low	64 Å²	64	56.5 Å²	56.5	30%	0.299	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.4	-172.5	-164.1	74	-38.8	0	0	113.2	P49 L86 N88	P49-Q127 PolarHBondContact O-NE2 2.82Å; L86-Q127 HydrophobicContact CB-CB 4.26Å; L86-Q127 HydrophobicContact CD2-CB 3.89Å; L86-Q127 HydrophobicContact CD2-CG 4.09Å; L86-Q127 HydrophobicContact CG-CB 3.91Å; L86-Q127 PolarHBondContact O-N 3.13Å; N88-Q127 VanDerWaalsContact CB-OE1 3.32Å; N88-Q127 PolarHBondContact ND2-OE1 2.95Å
128	D	75.5	Confident	66.4	Low	106 Å²	106	54.7 Å²	54.7	57%	0.567	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.8	173.1	65.6	-54.5	0	0	0	113.6	L126	L126-D128 WeakPolarHBondContact CB-OD1 3.41Å; L126-D128 PolarHBondContact O-N 3.27Å
129	Q	75.3	Confident	67	Low	58 Å²	58	54.3 Å²	54.3	27%	0.271	29%	0.287	S	S	.	.			trans	-134.7	54.1	-171.5	-78.7	174.3	68.3	0	0	112.8	L126 H131 S132 S133	L126-Q129 HydrophobicContact CB-CB 4.33Å; L126-Q129 CarbonylContact O-C 3.49Å; L126-Q129 VanDerWaalsContact O-C 3.24Å; L126-Q129 PolarHBondContact O-N 3.3Å; Q129-H131 PolarHBondContact O-N 3.33Å; Q129-H131 VanDerWaalsContact O-N 3.11Å; Q129-S132 WeakPolarHBondContact CB-OG 3.35Å; Q129-S132 PolarHBondContact O-N 2.94Å; Q129-S133 WeakPolarHBondContact O-CB 3.39Å; Q129-S133 PolarHBondContact O-N 3.21Å; Q129-S133 PolarHBondContact O-OG 2.89Å
130	P	66.3	Low	67.1	Low	61 Å²	61	50.5 Å²	50.5	40%	0.396	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.2	-170.4	25.4	-36	0	0	0	115.4
131	H	60.6	Low	66.8	Low	181 Å²	181	56.3 Å²	56.3	84%	0.838	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-23.5	-179.6	-58.2	-53.2	0	0	0	114.1	Q129	Q129-H131 PolarHBondContact O-N 3.33Å; Q129-H131 VanDerWaalsContact O-N 3.11Å
132	S	59.6	Low	66.7	Low	83 Å²	83	53.7 Å²	53.7	58%	0.58	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-19.4	-175.7	50.2	0	0	0	0	114	Q129	Q129-S132 WeakPolarHBondContact CB-OG 3.35Å; Q129-S132 PolarHBondContact O-N 2.94Å
133	S	58.2	Low	66.4	Low	2 Å²	2	52.7 Å²	52.7	1%	0.014	29%	0.292	C	S	.	.			trans	-107.5	154.4	176.9	73.4	0	0	0	0	112.2	L126 Q129 V148	L126-S133 WeakPolarHBondContact CB-OG 3.05Å; L126-S133 PolarHBondContact N-OG 3.31Å; Q129-S133 WeakPolarHBondContact O-CB 3.39Å; Q129-S133 PolarHBondContact O-N 3.21Å; Q129-S133 PolarHBondContact O-OG 2.89Å; S133-V148 CarbonylContact C-O 3.33Å; S133-V148 WeakPolarHBondContact CA-O 3.39Å; S133-V148 WeakPolarHBondContact CB-O 3.45Å
134	K	65	Low	66.3	Low	143 Å²	143	55.2 Å²	55.2	62%	0.622	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	132.4	175.8	-65.7	-174.1	-179.5	177.2	0	110.5	V148	K134-V148 PolarHBondContact N-O 3.29Å; K134-V148 PolarHBondContact O-N 3.1Å
135	V	66.8	Low	65.6	Low	6 Å²	6	55.3 Å²	55.3	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.3	-176.7	-178	0	0	0	0	108.9	L87 L89 T123 G124 L126 L137 I147	L87-V135 HydrophobicContact CD2-CG1 4.22Å; L87-V135 HydrophobicContact CD2-CG2 4.08Å; L89-V135 HydrophobicContact CD2-CB 4.18Å; L89-V135 HydrophobicContact CD2-CG1 3.6Å; T123-V135 CarbonylContact C-O 3.52Å; T123-V135 WeakPolarHBondContact CA-O 3.42Å; G124-V135 PolarHBondContact N-O 2.93Å; G124-V135 PolarHBondContact O-N 2.93Å; L126-V135 HydrophobicContact CD2-CG2 4.12Å; V135-L137 HydrophobicContact CG1-CD1 3.44Å; V135-L137 VanDerWaalsContact CG1-CD1 3.44Å; V135-L137 HydrophobicContact CG1-CG 3.59Å; V135-I147 HydrophobicContact CG1-CG1 4.12Å; V135-I147 HydrophobicContact CG2-CG1 4.31Å; V135-I147 HydrophobicContact CG2-CG2 4.35Å
136	A	65.2	Low	64.7	Low	34 Å²	34	54.7 Å²	54.7	28%	0.281	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	107.9	173.7	0	0	0	0	0	108.6	G145 V146	A136-G145 WeakPolarHBondContact O-CA 3.47Å; A136-V146 PolarHBondContact N-O 2.76Å; A136-V146 PolarHBondContact O-N 2.9Å
137	L	62.7	Low	64.3	Low	5 Å²	5	54.5 Å²	54.5	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.8	-169.8	-67.2	173.6	0	0	0	112.7	L87 L89 Y122 V135 I156	L87-L137 HydrophobicContact CD1-CD1 3.38Å; L89-L137 HydrophobicContact CD1-CD1 4.31Å; L89-L137 HydrophobicContact CD2-CD1 4.36Å; Y122-L137 PolarHBondContact N-O 3.11Å; Y122-L137 PolarHBondContact O-N 3Å; V135-L137 HydrophobicContact CG1-CD1 3.44Å; V135-L137 VanDerWaalsContact CG1-CD1 3.44Å; V135-L137 HydrophobicContact CG1-CG 3.59Å; L137-I156 HydrophobicContact CD2-CG2 3.38Å
138	S	62.3	Low	63.9	Low	25 Å²	25	53.9 Å²	53.9	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.1	165.2	169.1	0	0	0	0	108.3	C120 C140 L143 Q144	C120-S138 CarbonylContact O-C 3.54Å; S138-C140 PolarHBondContact OG-SG 3Å; S138-L143 CarbonylContact O-C 3.43Å; S138-L143 VanDerWaalsContact O-CA 3.28Å; S138-L143 WeakPolarHBondContact O-CA 3.26Å; S138-Q144 WeakPolarHBondContact CB-O 3.19Å; S138-Q144 PolarHBondContact N-O 3.45Å; S138-Q144 PolarHBondContact O-N 3.32Å
139	N	63.4	Low	63.7	Low	46 Å²	46	49.2 Å²	49.2	25%	0.246	28%	0.278	C	S	.	.			trans	-106.9	18.3	172	-164.7	20	0	0	0	112.3	Y76 C120 Y122 N141 G142 L143	Y76-N139 PolarHBondContact OH-ND2 3Å; C120-N139 HydrophobicContact CB-CB 4.34Å; C120-N139 PolarHBondContact O-N 2.74Å; Y122-N139 HydrophobicContact CE2-CB 4.36Å; N139-N141 VanDerWaalsContact C-N 3.35Å; N139-N141 PolarHBondContact O-N 3.15Å; N139-G142 CarbonylContact C-O 2.99Å; N139-G142 WeakPolarHBondContact CA-O 3.36Å; N139-L143 HydrophobicContact CB-CD2 3.82Å
140	C	58.8	Low	62.8	Low	41 Å²	41	49.8 Å²	49.8	28%	0.277	30%	0.299	S	S	.	.	S	Bend	trans	-79.4	-20.5	-163.8	-28.7	0	0	0	0	112.6	P118 C120 H121 S138	P118-C140 HydrophobicContact CB-CB 4.47Å; P118-C140 HydrophobicContact CG-CB 4.19Å; C120-C140 HydrophobicContact CB-CB 3.81Å; C120-C140 WeakPolarHBondContact CB-SG 3.43Å; C120-C140 WeakPolarHBondContact SG-CB 3.19Å; C120-C140 CovalentContact SG-SG 2.02Å; C120-C140 PolarHBondContact SG-SG 3.06Å; H121-C140 PolarHBondContact CE1-SG 3.1Å; S138-C140 PolarHBondContact OG-SG 3Å
141	N	53	Low	62.3	Low	133 Å²	133	49.2 Å²	49.2	71%	0.711	31%	0.305	S	S	*	.	S	Bend	trans	-143	31.5	177.6	-80.2	-60	0	0	0	111.7	N139	N139-N141 VanDerWaalsContact C-N 3.35Å; N139-N141 PolarHBondContact O-N 3.15Å
142	G	58.6	Low	62	Low	17 Å²	17	43.3 Å²	43.3	18%	0.175	28%	0.278	C	S	.	.	S	Bend	trans	103	171.2	-157.6	0	0	0	0	0	110.7	N139 Q144	N139-G142 CarbonylContact C-O 2.99Å; N139-G142 WeakPolarHBondContact CA-O 3.36Å; G142-Q144 PolarHBondContact O-N 2.95Å
143	L	64.9	Low	62.2	Low	3 Å²	3	41 Å²	41	2%	0.016	26%	0.258	C	S	.	.			trans	-77.9	113.6	179.1	-70	-172.5	0	0	0	110.7	P44 Y76 L87 S138 N139 I156 H179	P44-L143 HydrophobicContact CB-CD1 3.52Å; P44-L143 HydrophobicContact CB-CG 4.3Å; P44-L143 HydrophobicContact CG-CD1 3.96Å; P44-L143 HydrophobicContact CG-CG 4.27Å; Y76-L143 HydrophobicContact CD1-CD1 4.1Å; Y76-L143 HydrophobicContact CD2-CD1 4.47Å; Y76-L143 HydrophobicContact CD2-CD2 4.46Å; Y76-L143 HydrophobicContact CE1-CD1 4.47Å; Y76-L143 HydrophobicContact CE2-CD2 4.28Å; Y76-L143 HydrophobicContact CG-CD1 4.1Å; L87-L143 HydrophobicContact CD1-CD1 4.44Å; S138-L143 CarbonylContact O-C 3.43Å; S138-L143 VanDerWaalsContact O-CA 3.28Å; S138-L143 WeakPolarHBondContact O-CA 3.26Å; N139-L143 HydrophobicContact CB-CD2 3.82Å; L143-I156 HydrophobicContact CB-CD1 4.2Å; L143-H179 PolarHBondContact N-NE2 2.97Å; L143-H179 PolarHBondContact O-CD2 3.28Å
144	Q	64.8	Low	62.6	Low	83 Å²	83	42.1 Å²	42.1	39%	0.388	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137	173.9	-164.5	178.2	9.8	0	0	110.5	S138 G142 I156 E157	S138-Q144 WeakPolarHBondContact CB-O 3.19Å; S138-Q144 PolarHBondContact N-O 3.45Å; S138-Q144 PolarHBondContact O-N 3.32Å; G142-Q144 PolarHBondContact O-N 2.95Å; Q144-I156 CarbonylContact C-O 3.5Å; Q144-I156 VanDerWaalsContact CA-O 3.24Å; Q144-I156 WeakPolarHBondContact CA-O 3.05Å; Q144-E157 HydrophobicContact CG-CB 4.37Å; Q144-E157 HydrophobicContact CG-CG 4.08Å; Q144-E157 PolarHBondContact NE2-OE1 2.86Å
145	G	60	Low	62.7	Low	20 Å²	20	36.8 Å²	36.8	21%	0.206	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-146.6	174.3	0	0	0	0	0	113.7	A136 L155 I156	A136-G145 WeakPolarHBondContact O-CA 3.47Å; G145-L155 WeakPolarHBondContact O-CA 3.12Å; G145-I156 PolarHBondContact N-O 3.47Å; G145-I156 PolarHBondContact O-N 2.81Å
146	V	58.1	Low	62.8	Low	34 Å²	34	36.5 Å²	36.5	21%	0.206	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.5	-168.8	-177.9	0	0	0	0	112	A136 V148 Y154 L155	A136-V146 PolarHBondContact N-O 2.76Å; A136-V146 PolarHBondContact O-N 2.9Å; V146-V148 HydrophobicContact CG1-CG2 3.73Å; V146-Y154 WeakPolarHBondContact CA-O 3.26Å; V146-L155 HydrophobicContact CG2-CD2 3.76Å
147	I	73.1	Confident	62.8	Low	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.1	167.1	-63.6	162.8	0	0	0	107.1	L78 F85 L87 L126 V135 A149 Y154	L78-I147 HydrophobicContact CD1-CD1 3.74Å; F85-I147 HydrophobicContact CD1-CG2 4.31Å; F85-I147 HydrophobicContact CD2-CD1 4.4Å; F85-I147 HydrophobicContact CE1-CG2 4.42Å; L87-I147 HydrophobicContact CD2-CD1 3.89Å; L87-I147 HydrophobicContact CD2-CG1 4.2Å; L126-I147 HydrophobicContact CD2-CG2 4.01Å; V135-I147 HydrophobicContact CG1-CG1 4.12Å; V135-I147 HydrophobicContact CG2-CG1 4.31Å; V135-I147 HydrophobicContact CG2-CG2 4.35Å; I147-A149 HydrophobicContact CG2-CB 4.41Å; I147-Y154 PolarHBondContact N-O 2.84Å; I147-Y154 PolarHBondContact O-N 3.27Å
148	V	70.1	Confident	62.8	Low	51 Å²	51	38.7 Å²	38.7	31%	0.309	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.8	174.5	-170.1	0	0	0	0	108.1	S133 K134 V146 E152 E153	S133-V148 CarbonylContact C-O 3.33Å; S133-V148 WeakPolarHBondContact CA-O 3.39Å; S133-V148 WeakPolarHBondContact CB-O 3.45Å; K134-V148 PolarHBondContact N-O 3.29Å; K134-V148 PolarHBondContact O-N 3.1Å; V146-V148 HydrophobicContact CG1-CG2 3.73Å; V148-E152 WeakPolarHBondContact CA-O 3.25Å; V148-E153 HydrophobicContact CG1-CG 4.38Å; V148-E153 HydrophobicContact CG2-CG 4.24Å
149	A	70.3	Confident	62.9	Low	7 Å²	7	39.3 Å²	39.3	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.8	-176.3	0	0	0	0	0	111.1	L126 I147 G151 E152	L126-A149 HydrophobicContact CD1-CB 3.49Å; L126-A149 VanDerWaalsContact CD1-CB 3.49Å; L126-A149 HydrophobicContact CG-CB 4.46Å; I147-A149 HydrophobicContact CG2-CB 4.41Å; A149-G151 PolarHBondContact O-N 2.98Å; A149-E152 PolarHBondContact N-O 2.76Å; A149-E152 VanDerWaalsContact N-O 3.07Å; A149-E152 PolarHBondContact O-N 2.6Å
150	G	57.9	Low	62.6	Low	70 Å²	70	41.9 Å²	41.9	72%	0.722	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	19.1	-178.1	0	0	0	0	0	115	E152	G150-E152 VanDerWaalsContact C-N 3.33Å
151	G	55.3	Low	61.9	Low	50 Å²	50	43.3 Å²	43.3	52%	0.515	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	5.7	-173	0	0	0	0	0	115.4	A149 K526	A149-G151 PolarHBondContact O-N 2.98Å; G151-K526 PolarHBondContact O-NZ 3.44Å
152	E	54.8	Low	61.2	Low	57 Å²	57	40.9 Å²	40.9	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.6	-179.6	-64.1	-76.8	91.8	0	0	111.2	V148 A149 G150 Y154 K183 K526	V148-E152 WeakPolarHBondContact CA-O 3.25Å; A149-E152 PolarHBondContact N-O 2.76Å; A149-E152 VanDerWaalsContact N-O 3.07Å; A149-E152 PolarHBondContact O-N 2.6Å; G150-E152 VanDerWaalsContact C-N 3.33Å; E152-Y154 HydrophobicContact CB-CE2 3.76Å; E152-K183 WeakPolarHBondContact OE2-CE 3.38Å; E152-K183 IonicContact OE2-NZ 3.6Å; E152-K183 PolarHBondContact OE2-NZ 2.88Å; E152-K526 IonicContact OE1-NZ 3.7Å; E152-K526 PolarHBondContact OE1-NZ 2.95Å
153	E	63.2	Low	60.4	Low	34 Å²	34	46.7 Å²	46.7	16%	0.159	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.4	178.1	-65.7	-174.5	-162.1	0	0	110.7	V148 K183 R184 I518 Y537	V148-E153 HydrophobicContact CG1-CG 4.38Å; V148-E153 HydrophobicContact CG2-CG 4.24Å; E153-K183 WeakPolarHBondContact O-CA 3.23Å; E153-R184 HydrophobicContact CB-CB 4.1Å; E153-R184 PolarHBondContact O-N 2.96Å; E153-R184 WeakPolarHBondContact OE2-CD 3.36Å; E153-R184 IonicContact OE2-CZ 3.87Å; E153-R184 IonicContact OE2-NE 2.81Å; E153-R184 IonicContact OE2-NH1 3.09Å; E153-R184 PolarHBondContact OE2-NH1 3.08Å; E153-I518 WeakPolarHBondContact OE1-CD1 3.15Å; E153-Y537 PolarHBondContact OE1-OH 3.01Å
154	Y	67.1	Low	59.2	Low	25 Å²	25	51.8 Å²	51.8	10%	0.098	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.6	175.4	-57.9	-91.4	0	0	0	109.5	F85 V146 I147 E152 Y182 K183	F85-Y154 HydrophobicContact CZ-CD1 4.46Å; F85-Y154 HydrophobicContact CZ-CD2 4.28Å; F85-Y154 HydrophobicContact CZ-CE2 4.37Å; F85-Y154 HydrophobicContact CZ-CG 4.34Å; V146-Y154 WeakPolarHBondContact CA-O 3.26Å; I147-Y154 PolarHBondContact N-O 2.84Å; I147-Y154 PolarHBondContact O-N 3.27Å; E152-Y154 HydrophobicContact CB-CE2 3.76Å; Y154-Y182 WeakPolarHBondContact CA-O 3.38Å; Y154-K183 HydrophobicContact CD1-CG 4Å; Y154-K183 HydrophobicContact CE1-CD 4.28Å; Y154-K183 VanDerWaalsContact CE1-CE 3.43Å; Y154-K183 HydrophobicContact CE1-CG 3.82Å; Y154-K183 VanDerWaalsContact OH-CE 3.29Å; Y154-K183 WeakPolarHBondContact OH-CE 3.38Å
155	L	66.1	Low	58	Low	31 Å²	31	55.5 Å²	55.5	16%	0.162	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.1	170.8	-74.5	150.1	0	0	0	108.6	G145 V146 V181 Y182 R184	G145-L155 WeakPolarHBondContact O-CA 3.12Å; V146-L155 HydrophobicContact CG2-CD2 3.76Å; L155-V181 CarbonylContact O-C 3.59Å; L155-V181 VanDerWaalsContact O-CA 3.25Å; L155-V181 WeakPolarHBondContact O-CA 3.48Å; L155-Y182 HydrophobicContact CB-CD1 4.19Å; L155-Y182 HydrophobicContact CB-CD2 4.27Å; L155-Y182 HydrophobicContact CB-CE1 3.82Å; L155-Y182 HydrophobicContact CB-CE2 3.92Å; L155-Y182 HydrophobicContact CB-CG 4.4Å; L155-Y182 HydrophobicContact CD1-CD2 4.2Å; L155-Y182 HydrophobicContact CD1-CE2 3.48Å; L155-Y182 VanDerWaalsContact CD1-CE2 3.48Å; L155-Y182 HydrophobicContact CG-CE2 4.33Å; L155-Y182 PolarHBondContact N-O 2.75Å; L155-Y182 PolarHBondContact O-N 2.03Å; L155-R184 HydrophobicContact CD1-CB 3.93Å; L155-R184 HydrophobicContact CD1-CG 4.08Å
156	I	68.5	Low	56.9	Low	0 Å²	0	60.6 Å²	60.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.9	171.3	-177.6	170.5	0	0	0	110	L78 L137 L143 Q144 G145 H179 V180 V181	L78-I156 HydrophobicContact CD1-CD1 3.63Å; L78-I156 HydrophobicContact CD2-CD1 3.49Å; L78-I156 VanDerWaalsContact CD2-CD1 3.49Å; L78-I156 HydrophobicContact CG-CD1 4.24Å; L137-I156 HydrophobicContact CD2-CG2 3.38Å; L143-I156 HydrophobicContact CB-CD1 4.2Å; Q144-I156 CarbonylContact C-O 3.5Å; Q144-I156 VanDerWaalsContact CA-O 3.24Å; Q144-I156 WeakPolarHBondContact CA-O 3.05Å; G145-I156 PolarHBondContact N-O 3.47Å; G145-I156 PolarHBondContact O-N 2.81Å; I156-H179 HydrophobicContact CD1-CB 3.92Å; I156-H179 HydrophobicContact CG1-CB 3.8Å; I156-V180 CarbonylContact C-O 3.53Å; I156-V180 VanDerWaalsContact CA-O 3.31Å; I156-V180 WeakPolarHBondContact CA-O 3.29Å; I156-V181 HydrophobicContact CB-CG2 4.2Å; I156-V181 HydrophobicContact CD1-CG2 4.03Å; I156-V181 HydrophobicContact CG1-CG2 3.93Å
157	E	65.7	Low	55.9	Low	48 Å²	48	67.5 Å²	67.5	22%	0.224	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.9	177.3	-52.4	-155.9	118.3	0	0	113.2	F32 Q144 L159 H179 V180 Y182	F32-E157 WeakPolarHBondContact CZ-OE2 3.45Å; Q144-E157 HydrophobicContact CG-CB 4.37Å; Q144-E157 HydrophobicContact CG-CG 4.08Å; Q144-E157 PolarHBondContact NE2-OE1 2.86Å; E157-L159 PolarHBondContact O-N 3.48Å; E157-H179 CarbonylContact O-C 3.42Å; E157-H179 WeakPolarHBondContact O-CA 3.33Å; E157-H179 WeakPolarHBondContact O-CB 3.3Å; E157-V180 HydrophobicContact CB-CG1 4.08Å; E157-V180 PolarHBondContact N-O 2.71Å; E157-V180 PolarHBondContact O-N 3.38Å; E157-Y182 HydrophobicContact CG-CE1 4.31Å
158	P	63.5	Low	54.1	Low	37 Å²	37	72.8 Å²	72.8	24%	0.24	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.1	178.6	-21.6	33.1	0	0	0	114.1	V160 H179	P158-V160 PolarHBondContact O-N 2.92Å; P158-H179 VanDerWaalsContact CA-CD2 3.45Å; P158-H179 WeakPolarHBondContact CA-CD2 3.37Å
159	L	63.3	Low	52.5	Low	39 Å²	39	79.7 Å²	79.7	20%	0.204	45%	0.448	C	S	.	.			trans	-87.1	94.3	-178.7	-169.8	75.1	0	0	0	110.7	T29 L33 I41 E157 P178 V180	T29-L159 HydrophobicContact CG2-CD1 3.48Å; T29-L159 VanDerWaalsContact CG2-CD1 3.48Å; T29-L159 HydrophobicContact CG2-CG 4.26Å; L33-L159 HydrophobicContact CD1-CD1 4.36Å; L33-L159 HydrophobicContact CD2-CD1 4.47Å; I41-L159 HydrophobicContact CD1-CD2 3.89Å; I41-L159 HydrophobicContact CG1-CD2 4.39Å; I41-L159 HydrophobicContact CG2-CD2 4.41Å; E157-L159 PolarHBondContact O-N 3.48Å; L159-P178 HydrophobicContact CB-CB 4.25Å; L159-P178 HydrophobicContact CB-CG 4.29Å; L159-P178 WeakPolarHBondContact CB-O 3.48Å; L159-P178 HydrophobicContact CD2-CB 4.24Å; L159-P178 HydrophobicContact CD2-CG 4.47Å; L159-P178 PolarHBondContact N-O 2.85Å; L159-V180 HydrophobicContact CD1-CB 4.39Å
160	V	57.1	Low	50.6	Low	100 Å²	100	89.7 Å²	89.7	61%	0.606	48%	0.484	S	S	*	.			trans	-78.4	133.7	179.1	-174.2	0	0	0	0	110.9	T29 P158	T29-V160 PolarHBondContact OG1-O 2.78Å; P158-V160 PolarHBondContact O-N 2.92Å
161	S	45	Very low	49.6	Very low	70 Å²	70	90.7 Å²	90.7	49%	0.49	50%	0.495	S	S	.	.			trans	-110.1	142.3	170.2	-169.1	0	0	0	0	110.6	D163	S161-D163 PolarHBondContact O-N 2.95Å
162	P	38.5	Very low	48.5	Very low	82 Å²	82	95.1 Å²	95.1	53%	0.532	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-60.5	-39.9	-171.4	-26.5	36.2	0	0	0	115.7	N164	P162-N164 VanDerWaalsContact C-N 3.28Å; P162-N164 PolarHBondContact O-N 2.69Å; P162-N164 VanDerWaalsContact O-N 3.15Å
163	D	41.6	Very low	47.7	Very low	139 Å²	139	104.3 Å²	104.3	74%	0.743	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-76.9	-4.2	-161.6	-59.1	-54.2	0	0	0	115.8	S161	S161-D163 PolarHBondContact O-N 2.95Å
164	N	40.2	Very low	46.5	Very low	110 Å²	110	108.5 Å²	108.5	59%	0.588	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-96.1	6.3	-174.9	-91.8	-35.2	0	0	0	115.3	P162 T166	P162-N164 VanDerWaalsContact C-N 3.28Å; P162-N164 PolarHBondContact O-N 2.69Å; P162-N164 VanDerWaalsContact O-N 3.15Å; N164-T166 PolarHBondContact O-N 2.77Å; N164-T166 VanDerWaalsContact O-N 3.14Å
165	Q	39.6	Very low	45.4	Very low	162 Å²	162	115.4 Å²	115.4	76%	0.757	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-9.8	-179.4	-65.9	-169.6	9.7	0	0	114.6
166	T	35.9	Very low	44.9	Very low	127 Å²	127	115.6 Å²	115.6	78%	0.779	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-0.3	-175.2	51.5	0	0	0	0	115.1	N164	N164-T166 PolarHBondContact O-N 2.77Å; N164-T166 VanDerWaalsContact O-N 3.14Å
167	R	36.8	Very low	44.6	Very low	179 Å²	179	123 Å²	123	68%	0.675	63%	0.633	S	S	*	*	S	Bend	trans	-110	0.6	-177.2	-72.6	-170.2	67	169.4	-2.7	115.9	E169 E172	R167-E169 VanDerWaalsContact C-N 3.34Å; R167-E169 PolarHBondContact O-N 3.34Å; R167-E172 IonicContact NH2-OE2 3.53Å
168	T	35.9	Very low	44.8	Very low	110 Å²	110	123.1 Å²	123.1	68%	0.675	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	4.3	-175.4	27.3	0	0	0	0	116.7
169	E	35.3	Very low	45.4	Very low	196 Å²	196	121.6 Å²	121.6	92%	0.916	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	3.3	177.2	-66.4	-163.3	147.6	0	0	114.9	R167	R167-E169 VanDerWaalsContact C-N 3.34Å; R167-E169 PolarHBondContact O-N 3.34Å
170	R	32.3	Very low	46	Very low	217 Å²	217	119.8 Å²	119.8	82%	0.819	62%	0.618	S	S	*	*	S	Bend	trans	-123.1	129.5	167.3	-68.6	-170.4	178.9	-164.9	0.2	110.5	E172	R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 2.93Å
171	G	35.6	Very low	46.8	Very low	91 Å²	91	115.2 Å²	115.2	94%	0.938	59%	0.59	S	S	*	*			trans	-78	56	-166.1	0	0	0	0	0	115.7
172	E	32.2	Very low	47.9	Very low	143 Å²	143	112.7 Å²	112.7	67%	0.668	57%	0.571	S	S	*	*			trans	-79.2	125.6	167.7	-67.1	-177	132.4	0	0	110	R167 R170 T174	R167-E172 IonicContact NH2-OE2 3.53Å; R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 2.93Å; E172-T174 PolarHBondContact O-N 3.48Å
173	R	39.5	Very low	49	Very low	250 Å²	250	111.4 Å²	111.4	94%	0.943	56%	0.557	S	S	*	*			trans	-82.3	96.7	170.8	-73.1	-176.4	175.3	-169.2	-0.7	109
174	T	36.2	Very low	49.4	Very low	122 Å²	122	106.9 Å²	106.9	75%	0.748	53%	0.529	S	S	*	.			trans	-86.1	129.6	166	41.7	0	0	0	0	110.6	E172	E172-T174 PolarHBondContact O-N 3.48Å
175	E	45.8	Very low	49.7	Very low	170 Å²	170	106.4 Å²	106.4	79%	0.794	53%	0.534	S	S	*	.			trans	-76.1	155.1	174.4	-62.1	-177.8	132.8	0	0	110.8
176	G	54.7	Low	49.9	Very low	35 Å²	35	99.6 Å²	99.6	36%	0.361	51%	0.505	S	S	.	.			trans	63.1	74.7	165.8	0	0	0	0	0	117
177	R	61.8	Low	50	Low	155 Å²	155	97.9 Å²	97.9	59%	0.585	49%	0.49	S	S	*	.			trans	-69.1	137.9	162.6	-70.4	-174.5	177.8	-169.8	-2.2	110.2	P44 H179	P44-R177 WeakPolarHBondContact CD-O 3.32Å; R177-H179 PolarHBondContact O-CE1 2.88Å; R177-H179 PolarHBondContact O-ND1 3.5Å
178	P	69.6	Low	49.7	Very low	52 Å²	52	99.9 Å²	99.9	34%	0.338	50%	0.498	S	S	.	.			trans	-69.6	144.6	172.3	29.4	-34.2	0	0	0	111.3	I41 L159	I41-P178 HydrophobicContact CG2-CB 4.08Å; L159-P178 HydrophobicContact CB-CB 4.25Å; L159-P178 HydrophobicContact CB-CG 4.29Å; L159-P178 WeakPolarHBondContact CB-O 3.48Å; L159-P178 HydrophobicContact CD2-CB 4.24Å; L159-P178 HydrophobicContact CD2-CG 4.47Å; L159-P178 PolarHBondContact N-O 2.85Å
179	H	76.1	Confident	49.4	Very low	4 Å²	4	100 Å²	100	2%	0.019	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.8	176.3	-63	71.6	0	0	0	108.6	I41 A42 P44 L143 I156 E157 P158 R177	I41-H179 CarbonylContact C-O 3.53Å; I41-H179 WeakPolarHBondContact CA-O 3.41Å; A42-H179 PolarHBondContact N-O 2.65Å; A42-H179 PolarHBondContact O-N 3.34Å; P44-H179 WeakPolarHBondContact CD-ND1 3.38Å; P44-H179 WeakPolarHBondContact CG-ND1 3.47Å; L143-H179 PolarHBondContact N-NE2 2.97Å; L143-H179 PolarHBondContact O-CD2 3.28Å; I156-H179 HydrophobicContact CD1-CB 3.92Å; I156-H179 HydrophobicContact CG1-CB 3.8Å; E157-H179 CarbonylContact O-C 3.42Å; E157-H179 WeakPolarHBondContact O-CA 3.33Å; E157-H179 WeakPolarHBondContact O-CB 3.3Å; P158-H179 VanDerWaalsContact CA-CD2 3.45Å; P158-H179 WeakPolarHBondContact CA-CD2 3.37Å; R177-H179 PolarHBondContact O-CE1 2.88Å; R177-H179 PolarHBondContact O-ND1 3.5Å
180	V	75.6	Confident	49.3	Very low	1 Å²	1	91.1 Å²	91.1	1%	0.006	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.7	169.1	64.8	0	0	0	0	109	F32 L33 Y39 E40 I156 E157 L159 Y182	F32-V180 HydrophobicContact CE1-CG1 3.99Å; L33-V180 HydrophobicContact CD2-CB 4.43Å; L33-V180 HydrophobicContact CD2-CG2 3.81Å; Y39-V180 HydrophobicContact CD2-CG2 3.88Å; Y39-V180 HydrophobicContact CG-CG2 4.13Å; E40-V180 WeakPolarHBondContact O-CA 3.15Å; E40-V180 WeakPolarHBondContact O-CG2 3.47Å; I156-V180 CarbonylContact C-O 3.53Å; I156-V180 VanDerWaalsContact CA-O 3.31Å; I156-V180 WeakPolarHBondContact CA-O 3.29Å; E157-V180 HydrophobicContact CB-CG1 4.08Å; E157-V180 PolarHBondContact N-O 2.71Å; E157-V180 PolarHBondContact O-N 3.38Å; L159-V180 HydrophobicContact CD1-CB 4.39Å; V180-Y182 HydrophobicContact CG1-CD1 4.21Å; V180-Y182 HydrophobicContact CG1-CE1 4.32Å; V180-Y182 HydrophobicContact CG2-CD1 4.21Å
181	V	75.3	Confident	49.2	Very low	4 Å²	4	83.5 Å²	83.5	2%	0.024	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.3	172.7	-176.3	0	0	0	0	108.2	E40 A42 T80 L155 I156	E40-V181 PolarHBondContact N-O 2.96Å; E40-V181 PolarHBondContact O-N 3.19Å; A42-V181 HydrophobicContact CB-CG2 3.71Å; T80-V181 HydrophobicContact CG2-CG2 4.46Å; L155-V181 CarbonylContact O-C 3.59Å; L155-V181 VanDerWaalsContact O-CA 3.25Å; L155-V181 WeakPolarHBondContact O-CA 3.48Å; I156-V181 HydrophobicContact CB-CG2 4.2Å; I156-V181 HydrophobicContact CD1-CG2 4.03Å; I156-V181 HydrophobicContact CG1-CG2 3.93Å
182	Y	67.9	Low	49.3	Very low	18 Å²	18	79.8 Å²	79.8	7%	0.071	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.1	-175	65.5	-86.4	0	0	0	113.4	F32 L36 Y154 L155 E157 V180	F32-Y182 HydrophobicContact CZ-CE1 4.14Å; L36-Y182 HydrophobicContact CD1-CD1 3.88Å; L36-Y182 HydrophobicContact CD1-CD2 4.09Å; L36-Y182 HydrophobicContact CD1-CE1 4.28Å; L36-Y182 HydrophobicContact CD1-CE2 4.47Å; L36-Y182 HydrophobicContact CD1-CG 3.76Å; L36-Y182 HydrophobicContact CD2-CD2 3.63Å; L36-Y182 HydrophobicContact CD2-CE2 3.68Å; L36-Y182 HydrophobicContact CD2-CG 4.2Å; L36-Y182 HydrophobicContact CG-CD2 4.46Å; Y154-Y182 WeakPolarHBondContact CA-O 3.38Å; L155-Y182 HydrophobicContact CB-CD1 4.19Å; L155-Y182 HydrophobicContact CB-CD2 4.27Å; L155-Y182 HydrophobicContact CB-CE1 3.82Å; L155-Y182 HydrophobicContact CB-CE2 3.92Å; L155-Y182 HydrophobicContact CB-CG 4.4Å; L155-Y182 HydrophobicContact CD1-CD2 4.2Å; L155-Y182 HydrophobicContact CD1-CE2 3.48Å; L155-Y182 VanDerWaalsContact CD1-CE2 3.48Å; L155-Y182 HydrophobicContact CG-CE2 4.33Å; L155-Y182 PolarHBondContact N-O 2.75Å; L155-Y182 PolarHBondContact O-N 2.03Å; E157-Y182 HydrophobicContact CG-CE1 4.31Å; V180-Y182 HydrophobicContact CG1-CD1 4.21Å; V180-Y182 HydrophobicContact CG1-CE1 4.32Å; V180-Y182 HydrophobicContact CG2-CD1 4.21Å
183	K	62.3	Low	49.4	Very low	55 Å²	55	74.3 Å²	74.3	24%	0.239	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.1	178.7	-70.5	-170.8	171.3	-165.5	0	111.9	E152 E153 Y154 S185 S186	E152-K183 WeakPolarHBondContact OE2-CE 3.38Å; E152-K183 IonicContact OE2-NZ 3.6Å; E152-K183 PolarHBondContact OE2-NZ 2.88Å; E153-K183 WeakPolarHBondContact O-CA 3.23Å; Y154-K183 HydrophobicContact CD1-CG 4Å; Y154-K183 HydrophobicContact CE1-CD 4.28Å; Y154-K183 VanDerWaalsContact CE1-CE 3.43Å; Y154-K183 HydrophobicContact CE1-CG 3.82Å; Y154-K183 VanDerWaalsContact OH-CE 3.29Å; Y154-K183 WeakPolarHBondContact OH-CE 3.38Å; K183-S185 PolarHBondContact O-N 2.76Å; K183-S185 VanDerWaalsContact O-N 3.11Å; K183-S186 WeakPolarHBondContact O-CB 3.41Å; K183-S186 PolarHBondContact O-N 3.04Å; K183-S186 PolarHBondContact O-OG 3.08Å
184	R	48.2	Very low	49.2	Very low	43 Å²	43	68 Å²	68	16%	0.162	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-57	-26.3	180	-170	177.1	-166.5	152.6	11.8	114.3	E153 L155 S186 D472	E153-R184 HydrophobicContact CB-CB 4.1Å; E153-R184 PolarHBondContact O-N 2.96Å; E153-R184 WeakPolarHBondContact OE2-CD 3.36Å; E153-R184 IonicContact OE2-CZ 3.87Å; E153-R184 IonicContact OE2-NE 2.81Å; E153-R184 IonicContact OE2-NH1 3.09Å; E153-R184 PolarHBondContact OE2-NH1 3.08Å; L155-R184 HydrophobicContact CD1-CB 3.93Å; L155-R184 HydrophobicContact CD1-CG 4.08Å; R184-S186 PolarHBondContact O-N 3.32Å; R184-D472 IonicContact CZ-OD2 2.71Å; R184-D472 IonicContact NE-OD2 3.57Å; R184-D472 PolarHBondContact NE-OD2 3.46Å; R184-D472 IonicContact NH2-OD2 3.82Å; R184-D472 PolarHBondContact NH2-OD2 2.54Å
185	S	47.4	Very low	49.4	Very low	100 Å²	100	64.3 Å²	64.3	70%	0.699	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-62.4	-2.4	177	46.5	0	0	0	0	115.2	K183	K183-S185 PolarHBondContact O-N 2.76Å; K183-S185 VanDerWaalsContact O-N 3.11Å
186	S	44.7	Very low	49	Very low	20 Å²	20	56.9 Å²	56.9	14%	0.14	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-84.3	-0.9	-176.1	-60	0	0	0	0	116.4	K183 R184	K183-S186 WeakPolarHBondContact O-CB 3.41Å; K183-S186 PolarHBondContact O-N 3.04Å; K183-S186 PolarHBondContact O-OG 3.08Å; R184-S186 PolarHBondContact O-N 3.32Å
187	L	36	Very low	48	Very low	90 Å²	90	55.9 Å²	55.9	47%	0.471	27%	0.268	S	S	.	.			trans	-115.8	162	-165.6	-57.3	172.4	0	0	0	114.4	L36	L36-L187 HydrophobicContact CD2-CD2 3.86Å
188	R	30.9	Very low	46.6	Very low	221 Å²	221	50.4 Å²	50.4	83%	0.834	25%	0.252	S	S	*	.			trans	-148.3	114.5	-165.3	-56.5	-177.3	178.3	-175.4	-0.9	120.6	R486	R188-R486 PolarHBondContact O-NH1 2.62Å
189	Y	31.1	Very low	44.9	Very low	114 Å²	114	51.8 Å²	51.8	45%	0.447	26%	0.256	S	S	.	.			trans	86.6	0	142.2	-108.2	-116.7	0	0	0	124.2	D474 R486 M500	Y189-D474 PolarHBondContact N-OD2 2.78Å; Y189-R486 VanDerWaalsContact C-CZ 3.45Å; Y189-R486 WeakPolarHBondContact O-CB 3.45Å; Y189-R486 WeakPolarHBondContact O-CD 3.41Å; Y189-R486 WeakPolarHBondContact O-CG 3.48Å; Y189-R486 PolarHBondContact O-NE 3.44Å; Y189-R486 PolarHBondContact O-NH1 2.65Å; Y189-M500 HydrophobicContact CE1-CE 4.38Å
190	Q	32.4	Very low	42.7	Very low	8 Å²	8	57.1 Å²	57.1	4%	0.037	28%	0.284	C	S	.	.				0	0	0	-68.2	-165.6	-22.4	0	0	125.9	R486 Q487 M500	Q190-R486 CarbonylContact C-O 3.48Å; Q190-R486 VanDerWaalsContact C-O 3.32Å; Q190-R486 VanDerWaalsContact CA-C 3.44Å; Q190-Q487 WeakPolarHBondContact CB-O 3.42Å; Q190-Q487 VanDerWaalsContact CG-C 3.43Å; Q190-Q487 HydrophobicContact CG-CB 4.43Å; Q190-Q487 WeakPolarHBondContact CG-O 3.26Å; Q190-Q487 VanDerWaalsContact NE2-C 3.34Å; Q190-Q487 PolarHBondContact NE2-O 3.41Å; Q190-Q487 PolarHBondContact OE1-O 2.94Å; Q190-M500 HydrophobicContact CB-CE 3.54Å; Q190-M500 HydrophobicContact CB-CG 4.08Å; Q190-M500 HydrophobicContact CG-CE 4.45Å
191	Y	30.6	Very low	40.3	Very low	58 Å²	58	65 Å²	65	23%	0.227	32%	0.321	C	S	.	.				0	0	0	-35.9	-51.5	0	0	0	124.3	Y481 R484 S485 R486 C499 M500 S501 N504	Y191-Y481 VanDerWaalsContact O-CD2 3.23Å; Y191-Y481 WeakPolarHBondContact O-CD2 3.49Å; Y191-R484 HydrophobicContact CD2-CB 4.25Å; Y191-R484 WeakPolarHBondContact CD2-O 3.29Å; Y191-R484 HydrophobicContact CE2-CB 4.31Å; Y191-R484 WeakPolarHBondContact CE2-O 3.14Å; Y191-S485 VanDerWaalsContact CB-CB 3.47Å; Y191-S485 VanDerWaalsContact O-CB 3.31Å; Y191-S485 WeakPolarHBondContact O-CB 3.28Å; Y191-R486 PolarHBondContact N-O 3.3Å; Y191-R486 PolarHBondContact O-N 3.36Å; Y191-C499 WeakPolarHBondContact O-CB 3.42Å; Y191-M500 VanDerWaalsContact C-C 3.49Å; Y191-M500 VanDerWaalsContact CA-CA 3.47Å; Y191-M500 WeakPolarHBondContact CA-O 3.34Å; Y191-M500 VanDerWaalsContact CB-O 3.23Å; Y191-M500 WeakPolarHBondContact CB-O 3.49Å; Y191-M500 HydrophobicContact CD1-CB 4.32Å; Y191-M500 HydrophobicContact CD1-CE 4.47Å; Y191-M500 HydrophobicContact CD1-CG 3.64Å; Y191-M500 WeakPolarHBondContact CD1-O 3.48Å; Y191-M500 HydrophobicContact CD1-SD 3.94Å; Y191-M500 HydrophobicContact CE1-CE 4.24Å; Y191-M500 HydrophobicContact CE1-CG 4.3Å; Y191-M500 HydrophobicContact CE1-SD 4.03Å; Y191-S501 WeakPolarHBondContact CB-O 3.43Å; Y191-N504 HydrophobicContact CE1-CB 4.46Å; Y191-N504 WeakPolarHBondContact CE1-OD1 3.31Å; Y191-N504 PolarHBondContact OH-OD1 2.87Å
192	K	36.5	Very low	37.9	Very low	13 Å²	13	73.8 Å²	73.8	6%	0.057	36%	0.359	C	S	.	.				0	0	0	-139.8	170	179	-179.3	0	128.9	Y481 E496 L497 W498 C499 S501 I507 T508	K192-Y481 VanDerWaalsContact CA-CE2 3.41Å; K192-Y481 VanDerWaalsContact CA-CG 3.49Å; K192-Y481 HydrophobicContact CB-CE2 4.23Å; K192-Y481 HydrophobicContact CG-CE2 3.97Å; K192-Y481 WeakPolarHBondContact O-CB 3.43Å; K192-Y481 WeakPolarHBondContact O-CD1 3.33Å; K192-E496 IonicContact NZ-OE1 3.13Å; K192-E496 PolarHBondContact NZ-OE1 2.85Å; K192-L497 WeakPolarHBondContact CE-O 3.49Å; K192-L497 PolarHBondContact NZ-O 2.89Å; K192-W498 HydrophobicContact CD-CE3 4.19Å; K192-C499 VanDerWaalsContact CB-C 3.41Å; K192-C499 HydrophobicContact CB-CB 3.55Å; K192-C499 WeakPolarHBondContact CB-O 3.2Å; K192-C499 HydrophobicContact CD-CB 4.03Å; K192-C499 WeakPolarHBondContact CD-O 3.46Å; K192-C499 HydrophobicContact CG-CB 3.55Å; K192-S501 PolarHBondContact N-O 3.2Å; K192-I507 WeakPolarHBondContact CB-O 3.29Å; K192-I507 WeakPolarHBondContact CD-O 3.35Å; K192-I507 WeakPolarHBondContact CG-O 3.5Å; K192-T508 VanDerWaalsContact CE-OG1 3.3Å; K192-T508 WeakPolarHBondContact CE-OG1 3.23Å; K192-T508 PolarHBondContact NZ-OG1 2.03Å
193	G	35.8	Very low	35.8	Very low	28 Å²	28	78.3 Å²	78.3	29%	0.289	39%	0.39	S	S	.	.				0	0	0	0	0	0	0	0	136.5	Y481 I507 T508 S509	G193-Y481 VanDerWaalsContact CA-CD1 3.45Å; G193-I507 PolarHBondContact N-O 3.11Å; G193-T508 CarbonylContact C-O 3.6Å; G193-S509 WeakPolarHBondContact CA-OG 3.37Å
194	R	35.5	Very low	34	Very low	118 Å²	118	84.5 Å²	84.5	45%	0.445	42%	0.422	S	S	.	.				0	0	0	-73.9	-172.9	167.9	-157.8	-14	128.4	D347 E378 S509	R194-D347 IonicContact CZ-OD2 2.92Å; R194-D347 VanDerWaalsContact NH1-CG 3.34Å; R194-D347 IonicContact NH1-OD1 3.29Å; R194-D347 IonicContact NH1-OD2 2.68Å; R194-D347 PolarHBondContact NH1-OD2 2.85Å; R194-D347 IonicContact NH2-OD1 4Å; R194-D347 IonicContact NH2-OD2 2.74Å; R194-D347 PolarHBondContact NH2-OD2 2.94Å; R194-E378 IonicContact CZ-OE1 3.72Å; R194-E378 IonicContact NH1-OE1 2.82Å; R194-E378 PolarHBondContact NH1-OE1 3.17Å; R194-E378 IonicContact NH1-OE2 2.62Å; R194-S509 PolarHBondContact N-OG 3.14Å
195	S	40.2	Very low	33	Very low	44 Å²	44	92.6 Å²	92.6	31%	0.308	46%	0.459	S	S	.	.				0	0	0	64.4	0	0	0	0	124.5	E357 L359	S195-E357 CarbonylContact O-C 3.58Å; S195-E357 VanDerWaalsContact O-C 3.25Å; S195-L359 VanDerWaalsContact O-CD2 3.31Å; S195-L359 WeakPolarHBondContact O-CD2 3.46Å; S195-L359 VanDerWaalsContact O-CG 3.22Å; S195-L359 WeakPolarHBondContact O-CG 3.07Å
196	C	37.3	Very low	32.1	Very low	14 Å²	14	91.9 Å²	91.9	10%	0.095	47%	0.467	C	S	.	.				0	171.3	0	-48	0	0	0	0	124.9	E357 L359 H421 I422	C196-E357 CarbonylContact C-O 3.58Å; C196-E357 WeakPolarHBondContact CA-O 3.45Å; C196-L359 HydrophobicContact CB-CB 4.44Å; C196-L359 HydrophobicContact CB-CG 4.37Å; C196-L359 WeakPolarHBondContact SG-CD1 3.45Å; C196-L359 VanDerWaalsContact SG-CG 3.52Å; C196-H421 PolarHBondContact O-ND1 2.79Å; C196-I422 WeakPolarHBondContact SG-CD1 3.5Å
197	G	33.9	Very low	31.2	Very low	13 Å²	13	94.7 Å²	94.7	13%	0.134	49%	0.491	C	S	.	.			trans	-174.5	-177.6	174.3	0	0	0	0	0	120.4	E357 G360	G197-E357 PolarHBondContact N-O 2.86Å; G197-G360 VanDerWaalsContact O-O 3.11Å
198	V	31.3	Very low	31	Very low	41 Å²	41	92.8 Å²	92.8	25%	0.248	49%	0.486	C	S	.	.			trans	-139	162.5	-170	166.2	0	0	0	0	116.9	I350 H394 H400	V198-I350 WeakPolarHBondContact O-CD1 3.48Å; V198-H394 WeakPolarHBondContact CG2-NE2 3.43Å; V198-H400 WeakPolarHBondContact CG2-NE2 3.49Å
199	I	33.3	Very low	31.2	Very low	81 Å²	81	89.5 Å²	89.5	42%	0.415	47%	0.474	S	S	.	.			trans	-102.4	134.1	170.5	-67	-175.1	0	0	0	113.2	I350 L361	I199-I350 HydrophobicContact CG1-CG2 3.95Å; I199-L361 HydrophobicContact CB-CD1 3.92Å; I199-L361 HydrophobicContact CD1-CD1 4.38Å; I199-L361 HydrophobicContact CD1-CD2 3.58Å; I199-L361 HydrophobicContact CG1-CD1 3.76Å; I199-L361 HydrophobicContact CG1-CD2 3.91Å; I199-L361 HydrophobicContact CG1-CG 4.49Å; I199-L361 VanDerWaalsContact N-CD1 3.29Å
200	D	29.6	Very low	31.4	Very low	116 Å²	116	90.1 Å²	90.1	62%	0.62	48%	0.475	S	S	*	.			trans	-136.7	140.8	174.9	-166.5	3.8	0	0	0	111.2	R212	D200-R212 IonicContact OD1-NH1 2.8Å; D200-R212 PolarHBondContact OD1-NH1 3.28Å
201	E	27.3	Very low	31.3	Very low	165 Å²	165	93.9 Å²	93.9	77%	0.771	49%	0.493	S	S	*	.			trans	-75	130.6	171.5	-77.3	-160.1	152.1	0	0	109.6	R212	E201-R212 VanDerWaalsContact O-CZ 3.29Å; E201-R212 PolarHBondContact O-NH1 2.93Å; E201-R212 PolarHBondContact O-NH2 2.74Å
202	K	23.3	Very low	31.2	Very low	190 Å²	190	97.9 Å²	97.9	83%	0.826	51%	0.507	S	S	*	.			trans	-40.3	136	-159.4	-66	-176.7	179.4	178.2	0	115.6	R212	K202-R212 PolarHBondContact O-NH2 2.85Å
203	P	24.3	Very low	30.8	Very low	113 Å²	113	102.8 Å²	102.8	73%	0.734	54%	0.539	S	S	*	.			trans	-74.8	137.6	177.3	30.8	-35	0	0	0	111.8
204	M	24.3	Very low	30.5	Very low	185 Å²	185	109.2 Å²	109.2	91%	0.911	57%	0.566	S	S	*	*			trans	-110.8	130.3	158.5	-148.9	170.7	90.8	0	0	107.5
205	K	27.2	Very low	30	Very low	212 Å²	212	112.7 Å²	112.7	92%	0.922	58%	0.584	S	S	*	*	S	Bend	trans	-68.4	136.4	-167.1	-63.7	179.6	178.2	-179.8	0	111.8
206	G	29.6	Very low	29.3	Very low	85 Å²	85	116.9 Å²	116.9	88%	0.876	61%	0.608	S	S	*	*	S	Bend	trans	115.9	20.2	157.2	0	0	0	0	0	118.8
207	A	25.7	Very low	28.7	Very low	79 Å²	79	121.6 Å²	121.6	65%	0.653	64%	0.638	S	S	*	*			trans	-134.6	156.2	175.3	0	0	0	0	0	112.8
208	S	30.6	Very low	28.3	Very low	51 Å²	51	126.5 Å²	126.5	36%	0.357	67%	0.668	S	S	.	*			trans	-88.6	160.6	-176.8	49.9	0	0	0	0	113.8	W210	S208-W210 VanDerWaalsContact C-N 3.31Å; S208-W210 VanDerWaalsContact CB-CZ3 3.48Å; S208-W210 PolarHBondContact O-N 3.11Å; S208-W210 VanDerWaalsContact O-N 3.13Å; S208-W210 WeakPolarHBondContact OG-CH2 3.43Å; S208-W210 WeakPolarHBondContact OG-CZ2 3.04Å; S208-W210 WeakPolarHBondContact OG-CZ3 3.49Å
209	W	36	Very low	28.2	Very low	151 Å²	151	133 Å²	133	57%	0.572	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-67.1	-16.2	-160.4	63.3	-88	0	0	0	116.7	Q211 Y438	W209-Q211 PolarHBondContact O-N 3.43Å; W209-Q211 VanDerWaalsContact O-N 3.13Å; W209-Y438 HydrophobicContact CD2-CE1 4.42Å; W209-Y438 HydrophobicContact CE3-CE1 4.25Å; W209-Y438 HydrophobicContact CH2-CD1 4.27Å; W209-Y438 HydrophobicContact CH2-CE1 4.07Å; W209-Y438 HydrophobicContact CZ2-CE1 4.24Å; W209-Y438 HydrophobicContact CZ3-CD1 4.31Å; W209-Y438 HydrophobicContact CZ3-CE1 4.07Å
210	W	35.1	Very low	27.9	Very low	128 Å²	128	137.7 Å²	137.7	49%	0.485	72%	0.715	S	S	.	*	G	3₁₀ helix	trans	-75.2	4.6	-177.1	54.6	89.5	0	0	0	115.2	S208 F614	S208-W210 VanDerWaalsContact C-N 3.31Å; S208-W210 VanDerWaalsContact CB-CZ3 3.48Å; S208-W210 PolarHBondContact O-N 3.11Å; S208-W210 VanDerWaalsContact O-N 3.13Å; S208-W210 WeakPolarHBondContact OG-CH2 3.43Å; S208-W210 WeakPolarHBondContact OG-CZ2 3.04Å; S208-W210 WeakPolarHBondContact OG-CZ3 3.49Å; W210-F614 AromaticContact NE1-CE1 3.98Å
211	Q	30.2	Very low	27.9	Very low	87 Å²	87	138.8 Å²	138.8	41%	0.407	73%	0.725	S	S	.	*	G	3₁₀ helix	trans	-97.3	3.5	-179.9	-65.7	-171.3	-12.6	0	0	115.2	W209	W209-Q211 PolarHBondContact O-N 3.43Å; W209-Q211 VanDerWaalsContact O-N 3.13Å
212	R	27.9	Very low	27.8	Very low	141 Å²	141	134.3 Å²	134.3	53%	0.532	72%	0.723	S	S	.	*			trans	-126.2	84.3	-177.2	-80.1	-171.2	170.1	-167	-3.2	114.8	D200 E201 K202	D200-R212 IonicContact OD1-NH1 2.8Å; D200-R212 PolarHBondContact OD1-NH1 3.28Å; E201-R212 VanDerWaalsContact O-CZ 3.29Å; E201-R212 PolarHBondContact O-NH1 2.93Å; E201-R212 PolarHBondContact O-NH2 2.74Å; K202-R212 PolarHBondContact O-NH2 2.85Å
213	T	28.4	Very low	28.3	Very low	116 Å²	116	137.3 Å²	137.3	71%	0.712	73%	0.73	S	S	*	*			trans	-163.7	119.6	140.6	22.2	0	0	0	0	108.6
214	L	29.1	Very low	28.5	Very low	164 Å²	164	135.6 Å²	135.6	86%	0.859	73%	0.733	S	S	*	*			trans	-132.9	103.6	-177.2	-111.6	172.9	0	0	0	111.2
215	K	25.9	Very low	28.7	Very low	191 Å²	191	134.7 Å²	134.7	83%	0.83	73%	0.726	S	S	*	*			trans	-166.3	145.7	145.5	-108.5	167	-174.7	-179	0	109.9
216	T	25.7	Very low	29.1	Very low	132 Å²	132	132.1 Å²	132.1	81%	0.81	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-86.3	142.8	176.5	34.5	0	0	0	0	111
217	P	24.4	Very low	29.6	Very low	113 Å²	113	133 Å²	133	73%	0.734	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-73	146.9	168.4	31.2	-33.6	0	0	0	110.5
218	P	25.5	Very low	30.5	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.1	149.9	172.9	29.5	-34.4	0	0	0	111.6	H220	P218-H220 PolarHBondContact O-N 3.27Å
219	H	29.5	Very low	31.6	Very low	177 Å²	177	135 Å²	135	82%	0.819	70%	0.701	S	S	*	*			trans	-69.8	113.2	-178.4	-75.5	-98.5	0	0	0	112.8
220	H	26.5	Very low	32.7	Very low	181 Å²	181	130.1 Å²	130.1	84%	0.838	68%	0.683	S	S	*	*			trans	-133.8	118.2	152.8	-80.3	-66.5	0	0	0	110.5	P218 G222	P218-H220 PolarHBondContact O-N 3.27Å; H220-G222 PolarHBondContact O-N 3.06Å
221	V	30.4	Very low	34.1	Very low	138 Å²	138	125.3 Å²	125.3	84%	0.836	67%	0.669	S	S	*	*			trans	-93.1	95.6	-177.9	179.9	0	0	0	0	109.7
222	G	24.4	Very low	36.2	Very low	71 Å²	71	122.3 Å²	122.3	73%	0.732	66%	0.656	S	S	*	*			trans	-93.3	113.7	167.9	0	0	0	0	0	111.4	H220 G224	H220-G222 PolarHBondContact O-N 3.06Å; G222-G224 PolarHBondContact O-N 2.76Å
223	R	33	Very low	38.7	Very low	253 Å²	253	115.8 Å²	115.8	96%	0.955	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	124.3	165.8	-78.4	179.3	167.8	176.8	-4.1	108.8
224	G	29.6	Very low	41.2	Very low	78 Å²	78	113.9 Å²	113.9	80%	0.804	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.4	-14.7	166.5	0	0	0	0	0	118.9	G222	G222-G224 PolarHBondContact O-N 2.76Å
225	Q	28.9	Very low	43.8	Very low	165 Å²	165	109.9 Å²	109.9	77%	0.771	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-87.1	131	-179.3	-71.7	-171.2	-11.7	0	0	112.9
226	L	34.1	Very low	46.6	Very low	159 Å²	159	101.6 Å²	101.6	83%	0.832	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-68.7	147.8	169.6	-73.8	164.4	0	0	0	110.5	L228	L226-L228 PolarHBondContact O-N 2.81Å
227	P	40.1	Very low	49.5	Very low	103 Å²	103	95.7 Å²	95.7	67%	0.669	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-59	129	178.4	-24.4	34.3	0	0	0	112.7	K229	P227-K229 PolarHBondContact O-N 3.04Å; P227-K229 VanDerWaalsContact O-N 3.12Å
228	L	45.9	Very low	52.6	Low	39 Å²	39	90.3 Å²	90.3	20%	0.204	48%	0.484	C	S	.	.			trans	-61.3	112.9	173.3	-91.9	120.6	0	0	0	109.9	L226 R230	L226-L228 PolarHBondContact O-N 2.81Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 WeakPolarHBondContact O-CG 3.47Å; L228-R230 PolarHBondContact O-N 2.9Å
229	K	52.9	Low	55.5	Low	134 Å²	134	85.5 Å²	85.5	58%	0.583	45%	0.451	S	S	*	.			trans	-72.8	85.2	174.2	-68.8	-169.8	176.3	-173.5	0	110.4	P227 S231 V232	P227-K229 PolarHBondContact O-N 3.04Å; P227-K229 VanDerWaalsContact O-N 3.12Å; K229-S231 PolarHBondContact O-N 3.46Å; K229-V232 HydrophobicContact CB-CB 4.06Å; K229-V232 HydrophobicContact CB-CG2 3.63Å; K229-V232 HydrophobicContact CD-CG2 4.11Å; K229-V232 WeakPolarHBondContact O-CB 3.42Å; K229-V232 PolarHBondContact O-N 3.2Å
230	R	58.9	Low	58.4	Low	48 Å²	48	77 Å²	77	18%	0.181	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-6.1	178.5	-48.6	-177.5	-179	-166.8	2.5	115.6	L228 D444 N672 G673 E674	L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 WeakPolarHBondContact O-CG 3.47Å; L228-R230 PolarHBondContact O-N 2.9Å; R230-D444 HydrophobicContact CB-CB 4.09Å; R230-D444 WeakPolarHBondContact CD-O 3.44Å; R230-D444 WeakPolarHBondContact CG-O 3.16Å; R230-D444 PolarHBondContact NE-O 2.84Å; R230-N672 HydrophobicContact CB-CB 4.41Å; R230-N672 WeakPolarHBondContact CB-ND2 3.42Å; R230-N672 WeakPolarHBondContact CD-O 3.04Å; R230-N672 PolarHBondContact NH1-O 3.15Å; R230-N672 PolarHBondContact O-ND2 3.29Å; R230-G673 PolarHBondContact NH1-O 2.9Å; R230-E674 HydrophobicContact CG-CG 4.41Å; R230-E674 IonicContact CZ-OE1 3.66Å; R230-E674 IonicContact NE-OE1 3.87Å; R230-E674 PolarHBondContact NE-OE1 3.34Å; R230-E674 IonicContact NH2-OE1 2.71Å; R230-E674 PolarHBondContact NH2-OE1 2.02Å
231	S	64.8	Low	61.4	Low	27 Å²	27	68.4 Å²	68.4	19%	0.189	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13.2	171.2	42.3	0	0	0	0	113.6	K229 E587 R588 K589	K229-S231 PolarHBondContact O-N 3.46Å; S231-E587 CarbonylContact O-C 3.56Å; S231-E587 WeakPolarHBondContact O-CA 3.07Å; S231-R588 WeakPolarHBondContact O-CG 3.45Å; S231-R588 PolarHBondContact O-N 3.1Å; S231-K589 WeakPolarHBondContact CB-O 3.06Å; S231-K589 PolarHBondContact O-N 3.48Å
232	V	75.1	Confident	64.4	Low	24 Å²	24	61.9 Å²	61.9	15%	0.145	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123	-163.8	-179.3	0	0	0	0	110.6	K229 Q234 G586 E587	K229-V232 HydrophobicContact CB-CB 4.06Å; K229-V232 HydrophobicContact CB-CG2 3.63Å; K229-V232 HydrophobicContact CD-CG2 4.11Å; K229-V232 WeakPolarHBondContact O-CB 3.42Å; K229-V232 PolarHBondContact O-N 3.2Å; V232-Q234 HydrophobicContact CB-CG 4.48Å; V232-Q234 HydrophobicContact CG1-CG 3.89Å; V232-Q234 PolarHBondContact O-N 2.82Å; V232-G586 CarbonylContact C-O 3.58Å; V232-G586 WeakPolarHBondContact CA-O 3.05Å; V232-E587 HydrophobicContact CG2-CG 3.87Å
233	S	79.3	Confident	67.7	Low	4 Å²	4	58.5 Å²	58.5	3%	0.028	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.4	165.6	-158.8	0	0	0	0	109.5	C584 G586	S233-C584 WeakPolarHBondContact CB-O 3.18Å; S233-G586 PolarHBondContact N-O 3.04Å; S233-G586 PolarHBondContact O-N 2.91Å
234	Q	81.6	Confident	70.6	Confident	75 Å²	75	46.4 Å²	46.4	35%	0.35	25%	0.252	S	S	.	.			trans	-134.4	158	-176.3	-68.2	-179.6	-26.6	0	0	108.1	V232	V232-Q234 HydrophobicContact CB-CG 4.48Å; V232-Q234 HydrophobicContact CG1-CG 3.89Å; V232-Q234 PolarHBondContact O-N 2.82Å
235	E	83	Confident	73.6	Confident	80 Å²	80	42.8 Å²	42.8	37%	0.374	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	144.2	168.4	-62.9	-166.8	112.8	0	0	111.3	Y237 A280 N282 L585	E235-Y237 HydrophobicContact CB-CE2 3.99Å; E235-Y237 PolarHBondContact OE1-OH 3.3Å; E235-Y237 PolarHBondContact OE2-OH 3.08Å; E235-A280 CarbonylContact C-O 3.53Å; E235-A280 WeakPolarHBondContact CA-O 3.06Å; E235-A280 HydrophobicContact CG-CB 4.48Å; E235-N282 PolarHBondContact OE1-ND2 2.87Å; E235-L585 HydrophobicContact CG-CD1 4.24Å; E235-L585 HydrophobicContact CG-CD2 4.12Å
236	R	85.9	Confident	76.4	Confident	17 Å²	17	37.9 Å²	37.9	6%	0.064	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147	168.5	-65.3	-68.6	175.1	-98	5.4	109.2	A280 N282 L443 L451 N452	R236-A280 PolarHBondContact N-O 2.94Å; R236-N282 WeakPolarHBondContact O-CB 3.49Å; R236-N282 PolarHBondContact O-N 3.36Å; R236-L443 HydrophobicContact CG-CD1 4.1Å; R236-L443 HydrophobicContact CG-CD2 3.89Å; R236-L451 WeakPolarHBondContact CA-O 3.03Å; R236-L451 HydrophobicContact CB-CB 4.26Å; R236-L451 WeakPolarHBondContact CD-O 3.39Å; R236-N452 PolarHBondContact NE-OD1 2.98Å; R236-N452 PolarHBondContact NH1-OD1 3.42Å; R236-N452 VanDerWaalsContact NH1-OD1 3.11Å; R236-N452 PolarHBondContact NH2-OD1 3.26Å
237	Y	85.4	Confident	78.8	Confident	9 Å²	9	33.9 Å²	33.9	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.2	-177.7	-68.6	-68.3	0	0	0	109.7	E235 N282 V284 L451 N453 M454 P455 K457	E235-Y237 HydrophobicContact CB-CE2 3.99Å; E235-Y237 PolarHBondContact OE1-OH 3.3Å; E235-Y237 PolarHBondContact OE2-OH 3.08Å; Y237-N282 HydrophobicContact CD1-CB 3.55Å; Y237-N282 HydrophobicContact CE1-CB 3.54Å; Y237-N282 WeakPolarHBondContact CE1-ND2 3.37Å; Y237-V284 HydrophobicContact CD1-CG2 4.14Å; Y237-L451 PolarHBondContact N-O 3.49Å; Y237-L451 VanDerWaalsContact O-CA 3.26Å; Y237-L451 WeakPolarHBondContact O-CA 3.39Å; Y237-L451 WeakPolarHBondContact O-CB 3.43Å; Y237-L451 WeakPolarHBondContact O-CD2 3.27Å; Y237-N453 WeakPolarHBondContact CB-O 3.27Å; Y237-N453 VanDerWaalsContact CD2-O 3.23Å; Y237-N453 WeakPolarHBondContact CD2-O 3.37Å; Y237-M454 HydrophobicContact CD2-CB 4.28Å; Y237-M454 HydrophobicContact CD2-CG 4.38Å; Y237-M454 HydrophobicContact CE2-CB 4.09Å; Y237-M454 HydrophobicContact CE2-CG 3.87Å; Y237-P455 HydrophobicContact CD1-CG 4.33Å; Y237-P455 HydrophobicContact CG-CG 4.32Å; Y237-K457 WeakPolarHBondContact OH-CE 3.36Å; Y237-K457 PolarHBondContact OH-NZ 3.23Å
238	V	89.3	Confident	80.9	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	93.3	178.9	-174.5	0	0	0	0	107.8	T240 V281 N282 I283 V284 T339 M367 F396 L451	V238-T240 PolarHBondContact O-N 3.32Å; V238-T240 PolarHBondContact O-OG1 3.23Å; V238-V281 HydrophobicContact CG2-CG1 3.84Å; V238-N282 PolarHBondContact N-O 2.87Å; V238-I283 HydrophobicContact CB-CD1 3.8Å; V238-I283 HydrophobicContact CG1-CD1 4.19Å; V238-I283 HydrophobicContact CG2-CD1 3.88Å; V238-V284 PolarHBondContact O-N 3.03Å; V238-T339 HydrophobicContact CG1-CG2 3.59Å; V238-M367 HydrophobicContact CG1-CE 3.7Å; V238-M367 HydrophobicContact CG1-SD 4Å; V238-M367 HydrophobicContact CG2-CE 4.22Å; V238-F396 HydrophobicContact CG2-CE2 4.24Å; V238-F396 HydrophobicContact CG2-CZ 3.77Å; V238-L451 HydrophobicContact CG2-CD1 4.44Å; V238-L451 HydrophobicContact CG2-CD2 4.21Å
239	E	87.1	Confident	82.7	Confident	13 Å²	13	27.7 Å²	27.7	6%	0.061	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	109.7	175.6	-65.8	-176	139.2	0	0	108.9	T286 H336 H337 D338 T339 N453 P455	E239-T286 HydrophobicContact CB-CG2 3.71Å; E239-T286 HydrophobicContact CG-CG2 4.02Å; E239-H336 IonicContact OE2-CE1 3.91Å; E239-H336 IonicContact OE2-CG 3.6Å; E239-H336 IonicContact OE2-ND1 2.85Å; E239-H336 PolarHBondContact OE2-ND1 2.77Å; E239-H337 CarbonylContact O-C 3.22Å; E239-H337 WeakPolarHBondContact O-CA 3.28Å; E239-H337 WeakPolarHBondContact O-CB 3.36Å; E239-D338 WeakPolarHBondContact CB-OD2 3.45Å; E239-D338 PolarHBondContact N-OD2 2.76Å; E239-D338 PolarHBondContact O-N 2.81Å; E239-T339 PolarHBondContact O-N 2.91Å; E239-N453 PolarHBondContact OE1-ND2 2.8Å; E239-N453 PolarHBondContact OE2-ND2 3.5Å; E239-P455 HydrophobicContact CG-CB 4.29Å; E239-P455 HydrophobicContact CG-CG 4.34Å
240	T	89.4	Confident	83.7	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.6	-168.1	-53	0	0	0	0	111.2	V238 V242 M265 V284 V285 T286 T339 V341	V238-T240 PolarHBondContact O-N 3.32Å; V238-T240 PolarHBondContact O-OG1 3.23Å; T240-V242 HydrophobicContact CG2-CG2 4.03Å; T240-M265 HydrophobicContact CG2-CE 3.89Å; T240-V284 PolarHBondContact N-O 3.46Å; T240-V285 WeakPolarHBondContact O-CA 3.42Å; T240-T286 PolarHBondContact O-N 3.09Å; T240-T286 PolarHBondContact O-OG1 3.29Å; T240-T339 WeakPolarHBondContact CA-O 3.48Å; T240-T339 HydrophobicContact CG2-CG2 4.2Å; T240-V341 HydrophobicContact CG2-CG2 3.83Å
241	L	90.7	Very high	84.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.9	163.9	167.7	62.8	0	0	0	108.9	V243 R287 I289 Q315 H337 T339 A340 V341	L241-V243 HydrophobicContact CD1-CG2 4.16Å; L241-V243 HydrophobicContact CD2-CG2 4.21Å; L241-V243 HydrophobicContact CG-CG2 3.93Å; L241-R287 HydrophobicContact CD1-CB 3.82Å; L241-I289 HydrophobicContact CD1-CD1 3.87Å; L241-I289 HydrophobicContact CD1-CG1 4.04Å; L241-Q315 HydrophobicContact CD2-CB 4.46Å; L241-H337 HydrophobicContact CB-CB 3.92Å; L241-T339 PolarHBondContact N-O 3.08Å; L241-A340 HydrophobicContact CB-CB 4.32Å; L241-A340 HydrophobicContact CD2-CB 4.23Å; L241-A340 HydrophobicContact CG-CB 4.46Å; L241-A340 CarbonylContact O-C 3.59Å; L241-A340 WeakPolarHBondContact O-CA 3.07Å; L241-V341 PolarHBondContact O-N 3.02Å
242	V	93.1	Very high	84.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.2	173.9	-174.3	0	0	0	0	109.9	T240 I261 M265 V285 R287 L288 I289 I343	T240-V242 HydrophobicContact CG2-CG2 4.03Å; V242-I261 HydrophobicContact CG1-CG2 3.63Å; V242-M265 HydrophobicContact CG2-CE 4Å; V242-M265 HydrophobicContact CG2-CG 4.05Å; V242-M265 HydrophobicContact CG2-SD 4.02Å; V242-V285 HydrophobicContact CG2-CG1 4.03Å; V242-V285 HydrophobicContact CG2-CG2 4.45Å; V242-R287 PolarHBondContact N-O 2.93Å; V242-L288 HydrophobicContact CB-CD1 4.1Å; V242-L288 HydrophobicContact CG1-CD1 4.03Å; V242-L288 CarbonylContact O-C 3.55Å; V242-L288 WeakPolarHBondContact O-CA 3.43Å; V242-I289 PolarHBondContact O-N 2.94Å; V242-I343 HydrophobicContact CG1-CD1 3.94Å; V242-I343 HydrophobicContact CG1-CG1 4.48Å
243	V	94.6	Very high	84	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.7	-178.2	-171.5	0	0	0	0	109	L241 I289 L291 F311 W314 V341 L342 I343	L241-V243 HydrophobicContact CD1-CG2 4.16Å; L241-V243 HydrophobicContact CD2-CG2 4.21Å; L241-V243 HydrophobicContact CG-CG2 3.93Å; V243-I289 CarbonylContact C-O 3.51Å; V243-I289 WeakPolarHBondContact CA-O 3.43Å; V243-I289 HydrophobicContact CG1-CB 4.32Å; V243-I289 HydrophobicContact CG1-CG2 4.31Å; V243-I289 HydrophobicContact CG2-CB 4.3Å; V243-L291 HydrophobicContact CG1-CD1 3.93Å; V243-L291 HydrophobicContact CG1-CD2 4.39Å; V243-L291 HydrophobicContact CG1-CG 3.99Å; V243-F311 HydrophobicContact CB-CE2 3.99Å; V243-F311 HydrophobicContact CB-CZ 4.2Å; V243-F311 HydrophobicContact CG1-CE2 4.34Å; V243-F311 HydrophobicContact CG2-CE2 3.8Å; V243-F311 HydrophobicContact CG2-CZ 3.9Å; V243-W314 HydrophobicContact CG1-CZ3 4.4Å; V243-W314 HydrophobicContact CG2-CZ3 4.16Å; V243-V341 PolarHBondContact N-O 2.83Å; V243-L342 HydrophobicContact CB-CD1 4.09Å; V243-L342 HydrophobicContact CG1-CD1 3.97Å; V243-L342 CarbonylContact O-C 3.52Å; V243-L342 WeakPolarHBondContact O-CA 2.98Å; V243-I343 PolarHBondContact O-N 3.18Å
244	A	92.6	Very high	83.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137	173.2	0	0	0	0	0	110.8	M248 I257 I261 I289 L290 L291 I343	A244-M248 HydrophobicContact CB-CB 3.93Å; A244-M248 HydrophobicContact CB-CG 4.16Å; A244-I257 HydrophobicContact CB-CD1 4.25Å; A244-I261 HydrophobicContact CB-CD1 3.53Å; A244-I289 PolarHBondContact N-O 2.74Å; A244-L290 HydrophobicContact CB-CD2 3.89Å; A244-L291 PolarHBondContact O-N 3.22Å; A244-I343 WeakPolarHBondContact CA-O 3.33Å
245	D	91.9	Very high	81.9	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.011	19%	0.194	C	C	.	.			trans	-82.7	177.3	-173.2	79.8	-5.8	0	0	0	114.4	M247 M248 V249 L291 I300 I343 T344 Y346	D245-M247 PolarHBondContact O-N 3.38Å; D245-M247 VanDerWaalsContact O-N 3.17Å; D245-M247 WeakPolarHBondContact OD1-CA 3.19Å; D245-M247 VanDerWaalsContact OD1-CB 3.32Å; D245-M247 WeakPolarHBondContact OD1-CB 3.37Å; D245-M247 PolarHBondContact OD1-N 2.81Å; D245-M248 WeakPolarHBondContact O-CB 3.41Å; D245-M248 PolarHBondContact O-N 3.07Å; D245-M248 PolarHBondContact OD1-N 3.11Å; D245-V249 WeakPolarHBondContact O-CG2 3.25Å; D245-V249 PolarHBondContact O-N 2.78Å; D245-L291 CarbonylContact C-O 3.32Å; D245-I300 HydrophobicContact CB-CD1 3.71Å; D245-I343 PolarHBondContact N-O 2.79Å; D245-T344 WeakPolarHBondContact OD2-CB 3.19Å; D245-T344 PolarHBondContact OD2-OG1 2.85Å; D245-Y346 WeakPolarHBondContact OD2-CD2 3.35Å
246	K	88.9	Confident	81	Confident	61 Å²	61	40.9 Å²	40.9	27%	0.265	20%	0.2	S	C	.	.	H	α-helix	trans	-59.6	-26	177.3	75.9	-169.9	-173.7	-160.5	0	113.2	G250 L291 D294	K246-G250 PolarHBondContact O-N 3.02Å; K246-L291 WeakPolarHBondContact CA-O 3.41Å; K246-L291 PolarHBondContact N-O 3.06Å; K246-L291 VanDerWaalsContact N-O 3.11Å; K246-D294 WeakPolarHBondContact CD-OD1 3.38Å; K246-D294 WeakPolarHBondContact CE-OD1 3.07Å; K246-D294 IonicContact NZ-OD1 2.86Å; K246-D294 PolarHBondContact NZ-OD1 3.3Å; K246-D294 IonicContact NZ-OD2 3.48Å; K246-D294 PolarHBondContact NZ-OD2 3.41Å
247	M	84.1	Confident	80.4	Confident	76 Å²	76	40.1 Å²	40.1	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-78.3	-40.9	-178.9	-56.9	-62.9	-64.9	0	0	110.3	D245 G250 Y251 R345 Y346	D245-M247 PolarHBondContact O-N 3.38Å; D245-M247 VanDerWaalsContact O-N 3.17Å; D245-M247 WeakPolarHBondContact OD1-CA 3.19Å; D245-M247 VanDerWaalsContact OD1-CB 3.32Å; D245-M247 WeakPolarHBondContact OD1-CB 3.37Å; D245-M247 PolarHBondContact OD1-N 2.81Å; M247-G250 PolarHBondContact O-N 2.96Å; M247-Y251 WeakPolarHBondContact O-CB 3.49Å; M247-Y251 PolarHBondContact O-N 2.81Å; M247-R345 HydrophobicContact CB-CB 3.95Å; M247-Y346 HydrophobicContact CG-CD2 4.02Å; M247-Y346 HydrophobicContact CG-CE2 3.65Å
248	M	84.4	Confident	79.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-52.5	167.6	-74.6	-67.1	-69.8	0	0	111.4	A244 D245 G250 Y251 H252 I257 Y260 I261 I343 R345 D379	A244-M248 HydrophobicContact CB-CB 3.93Å; A244-M248 HydrophobicContact CB-CG 4.16Å; D245-M248 WeakPolarHBondContact O-CB 3.41Å; D245-M248 PolarHBondContact O-N 3.07Å; D245-M248 PolarHBondContact OD1-N 3.11Å; M248-G250 VanDerWaalsContact C-N 3.31Å; M248-G250 PolarHBondContact O-N 2.89Å; M248-Y251 PolarHBondContact O-N 3.32Å; M248-Y251 VanDerWaalsContact O-N 3.15Å; M248-H252 PolarHBondContact O-N 3.15Å; M248-I257 HydrophobicContact CB-CD1 3.9Å; M248-Y260 HydrophobicContact CE-CD1 4.23Å; M248-Y260 HydrophobicContact CE-CE1 3.95Å; M248-I261 HydrophobicContact CE-CG1 4.48Å; M248-I343 HydrophobicContact CE-CB 4.42Å; M248-I343 HydrophobicContact CE-CG2 3.6Å; M248-I343 HydrophobicContact CG-CG2 4.29Å; M248-I343 WeakPolarHBondContact CG-O 3.44Å; M248-I343 HydrophobicContact SD-CG2 3.83Å; M248-R345 HydrophobicContact CG-CG 4.45Å; M248-R345 HydrophobicContact SD-CG 3.7Å; M248-D379 HydrophobicContact CE-CB 4.1Å; M248-D379 HydrophobicContact SD-CB 3.4Å; M248-D379 WeakPolarHBondContact SD-CB 3.44Å
249	V	82.7	Confident	78.8	Confident	12 Å²	12	45.8 Å²	45.8	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-40.1	179.9	172.6	0	0	0	0	111.9	D245 G253 R254 I257 L290 M292	D245-V249 WeakPolarHBondContact O-CG2 3.25Å; D245-V249 PolarHBondContact O-N 2.78Å; V249-G253 WeakPolarHBondContact O-CA 3.27Å; V249-G253 PolarHBondContact O-N 2.78Å; V249-G253 VanDerWaalsContact O-N 3.17Å; V249-R254 HydrophobicContact CG1-CG 4.24Å; V249-I257 HydrophobicContact CB-CD1 4.35Å; V249-I257 HydrophobicContact CG2-CD1 3.81Å; V249-L290 HydrophobicContact CG2-CB 4.17Å; V249-M292 HydrophobicContact CG1-CE 3.54Å; V249-M292 HydrophobicContact CG1-SD 3.82Å; V249-M292 HydrophobicContact CG2-SD 4.19Å
250	G	74.4	Confident	78	Confident	68 Å²	68	45.3 Å²	45.3	70%	0.701	22%	0.221	S	C	*	.	H	α-helix	trans	-73.2	-23.3	177.4	0	0	0	0	0	114.5	K246 M247 M248	K246-G250 PolarHBondContact O-N 3.02Å; M247-G250 PolarHBondContact O-N 2.96Å; M248-G250 VanDerWaalsContact C-N 3.31Å; M248-G250 PolarHBondContact O-N 2.89Å
251	Y	70.6	Confident	77.4	Confident	80 Å²	80	45.3 Å²	45.3	31%	0.314	22%	0.222	S	C	.	.	H	α-helix	trans	-92.9	-48.6	-176.9	179.1	-96.9	0	0	0	113.2	M247 M248 R345 R478 F479 G482	M247-Y251 WeakPolarHBondContact O-CB 3.49Å; M247-Y251 PolarHBondContact O-N 2.81Å; M248-Y251 PolarHBondContact O-N 3.32Å; M248-Y251 VanDerWaalsContact O-N 3.15Å; Y251-R345 HydrophobicContact CD1-CG 4.41Å; Y251-R345 HydrophobicContact CG-CG 4.42Å; Y251-R345 PolarHBondContact OH-NH2 3.36Å; Y251-R478 PolarHBondContact OH-O 3.44Å; Y251-F479 VanDerWaalsContact CE1-O 3.24Å; Y251-F479 WeakPolarHBondContact CE1-O 3.44Å; Y251-F479 PolarHBondContact OH-O 2.66Å; Y251-G482 VanDerWaalsContact OH-CA 3.23Å; Y251-G482 WeakPolarHBondContact OH-CA 3.42Å; Y251-G482 PolarHBondContact OH-N 3.06Å
252	H	65.4	Low	76.6	Confident	20 Å²	20	45.8 Å²	45.8	9%	0.093	22%	0.224	C	C	.	.	H	α-helix	trans	-85.4	-17.3	179.1	-69	-72.8	0	0	0	113.3	M248 I257 Y260 D379 F479	M248-H252 PolarHBondContact O-N 3.15Å; H252-I257 HydrophobicContact CB-CB 4.02Å; H252-I257 HydrophobicContact CB-CG1 4.38Å; H252-Y260 AromaticContact CE1-CD1 3.81Å; H252-Y260 AromaticContact CE1-CD2 3.92Å; H252-Y260 AromaticContact CE1-CE1 3.56Å; H252-Y260 AromaticContact CE1-CE2 3.68Å; H252-Y260 AromaticContact CE1-CG 3.97Å; H252-Y260 AromaticContact CE1-CZ 3.47Å; H252-Y260 VanDerWaalsContact CE1-CZ 3.47Å; H252-Y260 AromaticContact NE2-CD1 3.77Å; H252-Y260 AromaticContact NE2-CE1 3.4Å; H252-Y260 WeakPolarHBondContact NE2-CE1 3.39Å; H252-Y260 AromaticContact NE2-CZ 3.7Å; H252-D379 IonicContact CD2-OD2 2.66Å; H252-D379 IonicContact CE1-OD2 3.08Å; H252-D379 IonicContact NE2-OD2 3.53Å; H252-D379 PolarHBondContact NE2-OD2 3.35Å; H252-F479 AromaticContact CE1-CD1 3.88Å; H252-F479 AromaticContact ND1-CD1 3.77Å
253	G	68.6	Low	75.4	Confident	26 Å²	26	46.4 Å²	46.4	27%	0.268	23%	0.229	S	C	.	.			trans	77.2	157	-177.7	0	0	0	0	0	113.6	V249 R255 I257	V249-G253 WeakPolarHBondContact O-CA 3.27Å; V249-G253 PolarHBondContact O-N 2.78Å; V249-G253 VanDerWaalsContact O-N 3.17Å; G253-R255 VanDerWaalsContact C-N 3.28Å; G253-R255 PolarHBondContact O-N 3.33Å; G253-I257 WeakPolarHBondContact O-CB 3.26Å; G253-I257 WeakPolarHBondContact O-CG2 3.4Å; G253-I257 PolarHBondContact O-N 3.23Å
254	R	62.2	Low	74.4	Confident	162 Å²	162	46.4 Å²	46.4	61%	0.611	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.7	-170.8	-61	-173	-170.6	-175.1	1	115.5	V249 M292	V249-R254 HydrophobicContact CG1-CG 4.24Å; R254-M292 HydrophobicContact CG-CE 4.08Å; R254-M292 VanDerWaalsContact CZ-CE 3.44Å
255	R	55.1	Low	73.7	Confident	219 Å²	219	46.5 Å²	46.5	83%	0.826	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-34.1	-177.6	-69.8	-178.8	175.9	178.8	-1.6	112.2	G253	G253-R255 VanDerWaalsContact C-N 3.28Å; G253-R255 PolarHBondContact O-N 3.33Å
256	D	63.7	Low	72.7	Confident	94 Å²	94	47 Å²	47	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-22.7	-161.9	-43.3	-68.4	0	0	0	111.8	E258 Q259 Y260	D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 3.37Å; D256-Q259 PolarHBondContact O-N 3.26Å; D256-Q259 VanDerWaalsContact O-N 3.16Å; D256-Y260 WeakPolarHBondContact O-CB 3.27Å; D256-Y260 PolarHBondContact O-N 3.35Å
257	I	73.8	Confident	71.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-54.7	-37.9	178.2	-173.6	165.4	0	0	0	114.3	A244 M248 V249 H252 G253 Y260 I261 L290	A244-I257 HydrophobicContact CB-CD1 4.25Å; M248-I257 HydrophobicContact CB-CD1 3.9Å; V249-I257 HydrophobicContact CB-CD1 4.35Å; V249-I257 HydrophobicContact CG2-CD1 3.81Å; H252-I257 HydrophobicContact CB-CB 4.02Å; H252-I257 HydrophobicContact CB-CG1 4.38Å; G253-I257 WeakPolarHBondContact O-CB 3.26Å; G253-I257 WeakPolarHBondContact O-CG2 3.4Å; G253-I257 PolarHBondContact O-N 3.23Å; I257-Y260 PolarHBondContact O-N 2.85Å; I257-I261 HydrophobicContact CD1-CD1 4.17Å; I257-I261 HydrophobicContact CG1-CD1 3.61Å; I257-I261 HydrophobicContact CG1-CG1 4.21Å; I257-I261 WeakPolarHBondContact O-CB 3.47Å; I257-I261 VanDerWaalsContact O-CG1 3.29Å; I257-I261 WeakPolarHBondContact O-CG1 3.21Å; I257-I261 PolarHBondContact O-N 2.68Å; I257-L290 HydrophobicContact CD1-CD2 4.05Å; I257-L290 HydrophobicContact CG1-CD2 4.28Å; I257-L290 HydrophobicContact CG2-CD1 3.95Å
258	E	74.9	Confident	71.5	Confident	22 Å²	22	41.6 Å²	41.6	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-48.1	177.7	-70.6	-179	-146.1	0	0	111.3	V102 Y104 H114 D256 Y260 I261 L262 L288 L290	V102-E258 HydrophobicContact CG1-CG 4.08Å; V102-E258 HydrophobicContact CG2-CG 4.46Å; Y104-E258 PolarHBondContact OH-OE1 2.9Å; H114-E258 IonicContact CE1-OE1 3.38Å; H114-E258 IonicContact CE1-OE2 2.67Å; H114-E258 IonicContact NE2-OE1 3.73Å; H114-E258 PolarHBondContact NE2-OE1 2.9Å; D256-E258 VanDerWaalsContact C-N 3.31Å; D256-E258 PolarHBondContact O-N 3.37Å; E258-Y260 VanDerWaalsContact C-N 3.33Å; E258-Y260 PolarHBondContact O-N 2.95Å; E258-I261 PolarHBondContact O-N 2.86Å; E258-L262 WeakPolarHBondContact O-CB 3.28Å; E258-L262 VanDerWaalsContact O-CG 3.27Å; E258-L262 WeakPolarHBondContact O-CG 3.43Å; E258-L262 PolarHBondContact O-N 3.38Å; E258-L288 HydrophobicContact CG-CD2 4.24Å; E258-L290 HydrophobicContact CG-CD1 4.19Å
259	Q	65.9	Low	71.2	Confident	106 Å²	106	41.7 Å²	41.7	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-67.6	-36.8	-179.3	-57	-173.5	28.8	0	0	111.3	D256 A263 Y471	D256-Q259 PolarHBondContact O-N 3.26Å; D256-Q259 VanDerWaalsContact O-N 3.16Å; Q259-A263 VanDerWaalsContact O-CB 3.28Å; Q259-A263 WeakPolarHBondContact O-CB 3.4Å; Q259-A263 PolarHBondContact O-N 3.07Å; Q259-Y471 VanDerWaalsContact C-OH 3.3Å; Q259-Y471 PolarHBondContact O-OH 3.29Å
260	Y	71.3	Confident	70.6	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-53.2	174.2	177.9	-97.7	0	0	0	112	M248 H252 D256 I257 E258 L262 A263 V264 D379 G381 L382 F479	M248-Y260 HydrophobicContact CE-CD1 4.23Å; M248-Y260 HydrophobicContact CE-CE1 3.95Å; H252-Y260 AromaticContact CE1-CD1 3.81Å; H252-Y260 AromaticContact CE1-CD2 3.92Å; H252-Y260 AromaticContact CE1-CE1 3.56Å; H252-Y260 AromaticContact CE1-CE2 3.68Å; H252-Y260 AromaticContact CE1-CG 3.97Å; H252-Y260 AromaticContact CE1-CZ 3.47Å; H252-Y260 VanDerWaalsContact CE1-CZ 3.47Å; H252-Y260 AromaticContact NE2-CD1 3.77Å; H252-Y260 AromaticContact NE2-CE1 3.4Å; H252-Y260 WeakPolarHBondContact NE2-CE1 3.39Å; H252-Y260 AromaticContact NE2-CZ 3.7Å; D256-Y260 WeakPolarHBondContact O-CB 3.27Å; D256-Y260 PolarHBondContact O-N 3.35Å; I257-Y260 PolarHBondContact O-N 2.85Å; E258-Y260 VanDerWaalsContact C-N 3.33Å; E258-Y260 PolarHBondContact O-N 2.95Å; Y260-L262 PolarHBondContact O-N 2.85Å; Y260-A263 PolarHBondContact O-N 3.14Å; Y260-V264 HydrophobicContact CE1-CG2 4.11Å; Y260-V264 WeakPolarHBondContact O-CG2 3.29Å; Y260-V264 PolarHBondContact O-N 3.17Å; Y260-D379 WeakPolarHBondContact CE1-OD1 3.28Å; Y260-D379 VanDerWaalsContact OH-CG 3.26Å; Y260-D379 PolarHBondContact OH-OD1 2.93Å; Y260-D379 PolarHBondContact OH-OD2 3.45Å; Y260-G381 WeakPolarHBondContact OH-CA 3.48Å; Y260-G381 PolarHBondContact OH-N 2.91Å; Y260-G381 PolarHBondContact OH-O 2.78Å; Y260-L382 HydrophobicContact CD2-CD2 4.48Å; Y260-L382 HydrophobicContact CE2-CD2 4.18Å; Y260-F479 AromaticContact CD2-CD1 3.98Å; Y260-F479 HydrophobicContact CD2-CD1 3.98Å; Y260-F479 AromaticContact CD2-CD2 4Å; Y260-F479 HydrophobicContact CD2-CD2 4Å; Y260-F479 HydrophobicContact CD2-CE1 4.02Å; Y260-F479 HydrophobicContact CD2-CE2 4.02Å; Y260-F479 AromaticContact CD2-CG 3.98Å; Y260-F479 HydrophobicContact CD2-CG 3.98Å; Y260-F479 HydrophobicContact CD2-CZ 4.04Å; Y260-F479 HydrophobicContact CE2-CB 3.83Å; Y260-F479 AromaticContact CE2-CD1 3.96Å; Y260-F479 HydrophobicContact CE2-CD1 3.96Å; Y260-F479 AromaticContact CE2-CD2 3.67Å; Y260-F479 HydrophobicContact CE2-CD2 3.67Å; Y260-F479 HydrophobicContact CE2-CE1 4.44Å; Y260-F479 HydrophobicContact CE2-CE2 4.16Å; Y260-F479 AromaticContact CE2-CG 3.56Å; Y260-F479 HydrophobicContact CE2-CG 3.56Å
261	I	76.7	Confident	70.7	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-41.6	-179.3	-67.8	169.7	0	0	0	111.1	V242 A244 M248 I257 E258 A263 V264 M265 L288 L290 I343	V242-I261 HydrophobicContact CG1-CG2 3.63Å; A244-I261 HydrophobicContact CB-CD1 3.53Å; M248-I261 HydrophobicContact CE-CG1 4.48Å; I257-I261 HydrophobicContact CD1-CD1 4.17Å; I257-I261 HydrophobicContact CG1-CD1 3.61Å; I257-I261 HydrophobicContact CG1-CG1 4.21Å; I257-I261 WeakPolarHBondContact O-CB 3.47Å; I257-I261 VanDerWaalsContact O-CG1 3.29Å; I257-I261 WeakPolarHBondContact O-CG1 3.21Å; I257-I261 PolarHBondContact O-N 2.68Å; E258-I261 PolarHBondContact O-N 2.86Å; I261-A263 VanDerWaalsContact C-N 3.31Å; I261-A263 PolarHBondContact O-N 2.63Å; I261-V264 PolarHBondContact O-N 3.02Å; I261-M265 HydrophobicContact CG2-CG 4.44Å; I261-M265 WeakPolarHBondContact O-CG 3.47Å; I261-M265 PolarHBondContact O-N 3.34Å; I261-L288 HydrophobicContact CD1-CD1 4.02Å; I261-L288 HydrophobicContact CG2-CD1 3.97Å; I261-L290 HydrophobicContact CD1-CD2 4.01Å; I261-I343 HydrophobicContact CG1-CD1 4.47Å; I261-I343 HydrophobicContact CG2-CD1 4.24Å
262	L	74.4	Confident	71.2	Confident	9 Å²	9	39.4 Å²	39.4	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-33.1	176.5	-69.7	176.1	0	0	0	112.5	L96 F100 Y116 E258 Y260 N266	L96-L262 HydrophobicContact CD2-CD2 3.94Å; F100-L262 HydrophobicContact CZ-CD2 4.24Å; Y116-L262 HydrophobicContact CD2-CD1 4.38Å; Y116-L262 HydrophobicContact CE1-CD1 4.33Å; Y116-L262 HydrophobicContact CE2-CD1 3.73Å; E258-L262 WeakPolarHBondContact O-CB 3.28Å; E258-L262 VanDerWaalsContact O-CG 3.27Å; E258-L262 WeakPolarHBondContact O-CG 3.43Å; E258-L262 PolarHBondContact O-N 3.38Å; Y260-L262 PolarHBondContact O-N 2.85Å; L262-N266 VanDerWaalsContact O-CB 3.3Å; L262-N266 WeakPolarHBondContact O-CB 3.41Å; L262-N266 PolarHBondContact O-N 3.46Å
263	A	66.1	Low	71.6	Confident	13 Å²	13	42.5 Å²	42.5	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-69.4	-39	173	0	0	0	0	0	112.7	Q259 Y260 I261 N266 I267 L382 Y471	Q259-A263 VanDerWaalsContact O-CB 3.28Å; Q259-A263 WeakPolarHBondContact O-CB 3.4Å; Q259-A263 PolarHBondContact O-N 3.07Å; Y260-A263 PolarHBondContact O-N 3.14Å; I261-A263 VanDerWaalsContact C-N 3.31Å; I261-A263 PolarHBondContact O-N 2.63Å; A263-N266 PolarHBondContact O-N 2.71Å; A263-I267 WeakPolarHBondContact O-CG1 3.5Å; A263-I267 PolarHBondContact O-N 3.39Å; A263-L382 HydrophobicContact CB-CD2 4.48Å; A263-Y471 HydrophobicContact CB-CE2 3.61Å
264	V	74.1	Confident	71.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-50.5	171.5	167.3	0	0	0	0	110.3	Y260 I261 N266 I267 V268 L382 A385 I388	Y260-V264 HydrophobicContact CE1-CG2 4.11Å; Y260-V264 WeakPolarHBondContact O-CG2 3.29Å; Y260-V264 PolarHBondContact O-N 3.17Å; I261-V264 PolarHBondContact O-N 3.02Å; V264-N266 VanDerWaalsContact C-N 3.33Å; V264-N266 PolarHBondContact O-N 2.77Å; V264-I267 WeakPolarHBondContact O-CB 3.44Å; V264-I267 PolarHBondContact O-N 2.95Å; V264-I267 VanDerWaalsContact O-N 3.08Å; V264-V268 WeakPolarHBondContact O-CG2 3.03Å; V264-V268 PolarHBondContact O-N 3.04Å; V264-L382 HydrophobicContact CG2-CD2 4.18Å; V264-A385 HydrophobicContact CG1-CB 4.03Å; V264-A385 WeakPolarHBondContact O-CB 3.06Å; V264-I388 HydrophobicContact CG1-CD1 3.65Å
265	M	78.7	Confident	72.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-27.8	-179.7	-65.8	-56.5	-62.8	0	0	114	T240 V242 I261 V268 A269 I283 V285 I388	T240-M265 HydrophobicContact CG2-CE 3.89Å; V242-M265 HydrophobicContact CG2-CE 4Å; V242-M265 HydrophobicContact CG2-CG 4.05Å; V242-M265 HydrophobicContact CG2-SD 4.02Å; I261-M265 HydrophobicContact CG2-CG 4.44Å; I261-M265 WeakPolarHBondContact O-CG 3.47Å; I261-M265 PolarHBondContact O-N 3.34Å; M265-V268 HydrophobicContact CE-CG1 4.47Å; M265-V268 WeakPolarHBondContact O-CB 3.33Å; M265-V268 PolarHBondContact O-N 3.44Å; M265-V268 HydrophobicContact SD-CG2 4.21Å; M265-A269 WeakPolarHBondContact O-CB 3.11Å; M265-A269 PolarHBondContact O-N 2.86Å; M265-I283 HydrophobicContact CE-CG2 4.09Å; M265-V285 HydrophobicContact CB-CG2 4.05Å; M265-V285 HydrophobicContact CE-CG2 4.2Å; M265-V285 HydrophobicContact CG-CG2 4.24Å; M265-I388 HydrophobicContact SD-CD1 4.26Å; M265-I388 HydrophobicContact SD-CG2 4.19Å
266	N	71	Confident	73.3	Confident	12 Å²	12	27.6 Å²	27.6	6%	0.064	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-41.3	169.4	173.9	5.4	0	0	0	111.7	L262 A263 V264 A269 K270 Y462	L262-N266 VanDerWaalsContact O-CB 3.3Å; L262-N266 WeakPolarHBondContact O-CB 3.41Å; L262-N266 PolarHBondContact O-N 3.46Å; A263-N266 PolarHBondContact O-N 2.71Å; V264-N266 VanDerWaalsContact C-N 3.33Å; V264-N266 PolarHBondContact O-N 2.77Å; N266-A269 PolarHBondContact O-N 2.73Å; N266-K270 WeakPolarHBondContact O-CG 3.5Å; N266-K270 PolarHBondContact O-N 3.25Å; N266-K270 VanDerWaalsContact O-N 3.09Å; N266-K270 VanDerWaalsContact OD1-CE 3.26Å; N266-K270 WeakPolarHBondContact OD1-CE 3.25Å; N266-Y462 HydrophobicContact CB-CD1 4.35Å; N266-Y462 HydrophobicContact CB-CE1 4.48Å; N266-Y462 WeakPolarHBondContact OD1-CD1 3.38Å
267	I	69.4	Low	74.2	Confident	25 Å²	25	23.1 Å²	23.1	13%	0.128	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-42.2	174.4	-61.7	163.7	0	0	0	110.3	A263 V264 A269 K270 L271 L382 A385 P467	A263-I267 WeakPolarHBondContact O-CG1 3.5Å; A263-I267 PolarHBondContact O-N 3.39Å; V264-I267 WeakPolarHBondContact O-CB 3.44Å; V264-I267 PolarHBondContact O-N 2.95Å; V264-I267 VanDerWaalsContact O-N 3.08Å; I267-A269 PolarHBondContact O-N 3.44Å; I267-K270 PolarHBondContact O-N 3.41Å; I267-L271 HydrophobicContact CG2-CD1 4.31Å; I267-L271 WeakPolarHBondContact O-CG 3.45Å; I267-L271 PolarHBondContact O-N 3.19Å; I267-L382 HydrophobicContact CD1-CB 4.17Å; I267-A385 HydrophobicContact CB-CB 3.52Å; I267-A385 HydrophobicContact CD1-CB 4.35Å; I267-A385 HydrophobicContact CG2-CB 3.46Å; I267-A385 VanDerWaalsContact CG2-CB 3.46Å; I267-P467 HydrophobicContact CD1-CB 4.27Å; I267-P467 HydrophobicContact CD1-CG 4.06Å; I267-P467 HydrophobicContact CG1-CG 3.94Å
268	V	78.4	Confident	74.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.2	-50.6	173.9	178.9	0	0	0	0	111.1	V264 M265 K270 L271 F272 I283 A385 I388 A389 I392	V264-V268 WeakPolarHBondContact O-CG2 3.03Å; V264-V268 PolarHBondContact O-N 3.04Å; M265-V268 HydrophobicContact CE-CG1 4.47Å; M265-V268 WeakPolarHBondContact O-CB 3.33Å; M265-V268 PolarHBondContact O-N 3.44Å; M265-V268 HydrophobicContact SD-CG2 4.21Å; V268-K270 VanDerWaalsContact C-N 3.31Å; V268-K270 PolarHBondContact O-N 2.79Å; V268-L271 WeakPolarHBondContact O-CB 3.45Å; V268-L271 PolarHBondContact O-N 3.47Å; V268-L271 VanDerWaalsContact O-N 3.1Å; V268-F272 HydrophobicContact CG1-CD2 4.07Å; V268-F272 HydrophobicContact CG1-CE2 4.08Å; V268-F272 WeakPolarHBondContact O-CD2 3.24Å; V268-F272 PolarHBondContact O-N 3.46Å; V268-I283 HydrophobicContact CG1-CG1 4.4Å; V268-A385 HydrophobicContact CG2-CB 3.99Å; V268-A385 WeakPolarHBondContact CG2-O 3.49Å; V268-I388 HydrophobicContact CG1-CG2 4.09Å; V268-I388 HydrophobicContact CG2-CB 3.8Å; V268-I388 HydrophobicContact CG2-CG2 3.7Å; V268-A389 HydrophobicContact CG1-CB 4.34Å; V268-I392 HydrophobicContact CG1-CD1 4.08Å
269	A	77.3	Confident	74.9	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-57.6	-42.7	178.9	0	0	0	0	0	112.2	L95 M265 N266 I267 L271 F272 H273 I283	L95-A269 HydrophobicContact CD1-CB 4.11Å; M265-A269 WeakPolarHBondContact O-CB 3.11Å; M265-A269 PolarHBondContact O-N 2.86Å; N266-A269 PolarHBondContact O-N 2.73Å; I267-A269 PolarHBondContact O-N 3.44Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-L271 PolarHBondContact O-N 3.25Å; A269-F272 PolarHBondContact O-N 2.68Å; A269-H273 PolarHBondContact O-N 2.9Å; A269-I283 HydrophobicContact CB-CB 4.19Å
270	K	71.4	Confident	75.8	Confident	95 Å²	95	18.1 Å²	18.1	41%	0.413	10%	0.097	S	C	.	.	H	α-helix	trans	-64.2	-34	176	-74.8	176.6	177.9	177.8	0	113.8	N266 I267 V268 H273 D274	N266-K270 WeakPolarHBondContact O-CG 3.5Å; N266-K270 PolarHBondContact O-N 3.25Å; N266-K270 VanDerWaalsContact O-N 3.09Å; N266-K270 VanDerWaalsContact OD1-CE 3.26Å; N266-K270 WeakPolarHBondContact OD1-CE 3.25Å; I267-K270 PolarHBondContact O-N 3.41Å; V268-K270 VanDerWaalsContact C-N 3.31Å; V268-K270 PolarHBondContact O-N 2.79Å; K270-H273 PolarHBondContact O-N 3.28Å; K270-D274 PolarHBondContact O-N 2.82Å
271	L	74.9	Confident	76.5	Confident	17 Å²	17	18 Å²	18	9%	0.089	10%	0.096	C	C	.	.	H	α-helix	trans	-66.8	-40.4	175	-68.8	167.5	0	0	0	111	I267 V268 A269 H273 D274 F386 A389 L417 F429 W431	I267-L271 HydrophobicContact CG2-CD1 4.31Å; I267-L271 WeakPolarHBondContact O-CG 3.45Å; I267-L271 PolarHBondContact O-N 3.19Å; V268-L271 WeakPolarHBondContact O-CB 3.45Å; V268-L271 PolarHBondContact O-N 3.47Å; V268-L271 VanDerWaalsContact O-N 3.1Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-L271 PolarHBondContact O-N 3.25Å; L271-H273 VanDerWaalsContact C-N 3.28Å; L271-H273 PolarHBondContact O-N 3.24Å; L271-D274 PolarHBondContact O-N 3.37Å; L271-F386 HydrophobicContact CD1-CD1 3.69Å; L271-F386 HydrophobicContact CD1-CE1 4.06Å; L271-F386 HydrophobicContact CD2-CD1 4.37Å; L271-F386 HydrophobicContact CD2-CE1 4.2Å; L271-A389 HydrophobicContact CB-CB 4.22Å; L271-A389 HydrophobicContact CD1-CB 3.66Å; L271-L417 HydrophobicContact CB-CD2 4.31Å; L271-L417 HydrophobicContact CD1-CD2 4.4Å; L271-L417 HydrophobicContact CD2-CD2 4.41Å; L271-F429 HydrophobicContact CD2-CB 4.13Å; L271-W431 PolarHBondContact O-NE1 3.39Å
272	F	81.4	Confident	76.8	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71.4	-19.1	173.6	-79.5	-80.4	0	0	0	114.2	V268 A269 L277 V281 I283 A389 I392 F396 W431	V268-F272 HydrophobicContact CG1-CD2 4.07Å; V268-F272 HydrophobicContact CG1-CE2 4.08Å; V268-F272 WeakPolarHBondContact O-CD2 3.24Å; V268-F272 PolarHBondContact O-N 3.46Å; A269-F272 PolarHBondContact O-N 2.68Å; F272-L277 HydrophobicContact CB-CD2 4.5Å; F272-L277 HydrophobicContact CD1-CD2 3.77Å; F272-L277 VanDerWaalsContact O-CD2 3.32Å; F272-L277 WeakPolarHBondContact O-CD2 3.49Å; F272-V281 HydrophobicContact CB-CB 4.44Å; F272-V281 HydrophobicContact CB-CG1 4.41Å; F272-V281 HydrophobicContact CD1-CB 4.24Å; F272-V281 HydrophobicContact CD1-CG1 3.92Å; F272-V281 HydrophobicContact CG-CG1 4.41Å; F272-I283 HydrophobicContact CB-CD1 4.32Å; F272-I283 HydrophobicContact CB-CG1 3.98Å; F272-I283 HydrophobicContact CD1-CD1 4.4Å; F272-I283 HydrophobicContact CD2-CD1 3.69Å; F272-I283 HydrophobicContact CD2-CG1 3.61Å; F272-I283 HydrophobicContact CE2-CD1 4.12Å; F272-I283 HydrophobicContact CE2-CG1 4.39Å; F272-I283 HydrophobicContact CG-CD1 3.86Å; F272-I283 HydrophobicContact CG-CG1 3.91Å; F272-A389 HydrophobicContact CE2-CB 4.09Å; F272-I392 HydrophobicContact CE1-CG2 4.12Å; F272-I392 HydrophobicContact CE2-CB 3.98Å; F272-I392 HydrophobicContact CE2-CD1 4.47Å; F272-I392 HydrophobicContact CE2-CG2 3.8Å; F272-I392 HydrophobicContact CZ-CB 3.74Å; F272-I392 HydrophobicContact CZ-CG2 3.36Å; F272-F396 HydrophobicContact CD1-CE2 4.39Å; F272-F396 AromaticContact CE1-CD2 3.96Å; F272-F396 HydrophobicContact CE1-CD2 3.96Å; F272-F396 AromaticContact CE1-CE2 3.78Å; F272-F396 HydrophobicContact CE1-CE2 3.78Å; F272-F396 HydrophobicContact CZ-CD2 4.48Å; F272-F396 HydrophobicContact CZ-CE2 4.41Å; F272-W431 HydrophobicContact CD1-CH2 4.31Å; F272-W431 AromaticContact CD1-CZ2 3.85Å; F272-W431 HydrophobicContact CD1-CZ2 3.85Å; F272-W431 HydrophobicContact CD2-CZ2 4.3Å; F272-W431 AromaticContact CE1-CH2 3.62Å; F272-W431 HydrophobicContact CE1-CH2 3.62Å; F272-W431 AromaticContact CE1-CZ2 3.63Å; F272-W431 HydrophobicContact CE1-CZ2 3.63Å; F272-W431 HydrophobicContact CE2-CH2 4.15Å; F272-W431 HydrophobicContact CE2-CZ2 4.12Å; F272-W431 HydrophobicContact CG-CZ2 4.17Å; F272-W431 AromaticContact CZ-CH2 3.5Å; F272-W431 HydrophobicContact CZ-CH2 3.5Å; F272-W431 AromaticContact CZ-CZ2 3.76Å; F272-W431 HydrophobicContact CZ-CZ2 3.76Å
273	H	74.9	Confident	77.3	Confident	85 Å²	85	18.9 Å²	18.9	39%	0.394	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.6	170.9	-71.4	167.7	0	0	0	114.5	A269 K270 L271 S275 V281 N282	A269-H273 PolarHBondContact O-N 2.9Å; K270-H273 PolarHBondContact O-N 3.28Å; L271-H273 VanDerWaalsContact C-N 3.28Å; L271-H273 PolarHBondContact O-N 3.24Å; H273-S275 PolarHBondContact O-N 2.99Å; H273-V281 PolarHBondContact CD2-O 2.89Å; H273-V281 VanDerWaalsContact CD2-O 3.25Å; H273-N282 PolarHBondContact NE2-OD1 2.9Å
274	D	73.9	Confident	78	Confident	56 Å²	56	18.5 Å²	18.5	30%	0.299	10%	0.097	S	C	.	.	S	Bend	trans	-70.3	130.8	179.3	-171.4	-83.5	0	0	0	112.1	K270 L271 S276 L277	K270-D274 PolarHBondContact O-N 2.82Å; L271-D274 PolarHBondContact O-N 3.37Å; D274-S276 PolarHBondContact O-N 3.38Å; D274-S276 WeakPolarHBondContact OD1-CB 3.45Å; D274-S276 PolarHBondContact OD1-N 3.16Å; D274-S276 PolarHBondContact OD1-OG 2.88Å; D274-L277 WeakPolarHBondContact O-CB 3.4Å; D274-L277 PolarHBondContact O-N 2.03Å
275	S	70.6	Confident	78.4	Confident	28 Å²	28	18.6 Å²	18.6	20%	0.196	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-53	-23	-178.8	67.1	0	0	0	0	114.9	H273 L277 G278	H273-S275 PolarHBondContact O-N 2.99Å; S275-L277 PolarHBondContact O-N 3.4Å; S275-G278 PolarHBondContact O-N 2.87Å; S275-G278 VanDerWaalsContact O-N 3.13Å
276	S	76.2	Confident	78.4	Confident	10 Å²	10	18.9 Å²	18.9	7%	0.07	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-62.5	-25.6	176.5	61.3	0	0	0	0	113.6	D274 G278 I430 W431 R436	D274-S276 PolarHBondContact O-N 3.38Å; D274-S276 WeakPolarHBondContact OD1-CB 3.45Å; D274-S276 PolarHBondContact OD1-N 3.16Å; D274-S276 PolarHBondContact OD1-OG 2.88Å; S276-G278 PolarHBondContact O-N 3.13Å; S276-I430 WeakPolarHBondContact OG-CB 3.44Å; S276-W431 PolarHBondContact OG-N 2.97Å; S276-W431 VanDerWaalsContact OG-N 3.08Å; S276-R436 VanDerWaalsContact O-CZ 3.29Å; S276-R436 PolarHBondContact O-NE 3.19Å; S276-R436 PolarHBondContact O-NH2 2.78Å
277	L	83.9	Confident	79	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-65.8	-23.3	175	-171.1	62.6	0	0	0	113.2	F272 D274 S275 N279 V281 M398 W431 R436 I439	F272-L277 HydrophobicContact CB-CD2 4.5Å; F272-L277 HydrophobicContact CD1-CD2 3.77Å; F272-L277 VanDerWaalsContact O-CD2 3.32Å; F272-L277 WeakPolarHBondContact O-CD2 3.49Å; D274-L277 WeakPolarHBondContact O-CB 3.4Å; D274-L277 PolarHBondContact O-N 2.03Å; S275-L277 PolarHBondContact O-N 3.4Å; L277-N279 HydrophobicContact CG-CB 4.45Å; L277-N279 PolarHBondContact O-N 2.02Å; L277-N279 VanDerWaalsContact O-N 3.17Å; L277-N279 PolarHBondContact O-ND2 3.13Å; L277-V281 HydrophobicContact CD2-CB 4.03Å; L277-V281 HydrophobicContact CD2-CG2 3.87Å; L277-M398 HydrophobicContact CD1-CE 3.68Å; L277-W431 HydrophobicContact CB-CG 4.11Å; L277-W431 HydrophobicContact CD1-CD2 3.74Å; L277-W431 HydrophobicContact CD1-CE3 4.22Å; L277-W431 HydrophobicContact CD1-CG 3.88Å; L277-W431 HydrophobicContact CD1-CZ2 4.35Å; L277-R436 WeakPolarHBondContact O-CG 3.38Å; L277-I439 HydrophobicContact CD1-CD1 4.14Å; L277-I439 HydrophobicContact CD1-CG2 3.83Å; L277-I439 HydrophobicContact CD2-CD1 4.43Å; L277-I439 HydrophobicContact CG-CG2 4.37Å
278	G	78.2	Confident	79.8	Confident	3 Å²	3	18.5 Å²	18.5	3%	0.031	10%	0.096	C	C	.	.			trans	66.7	9.6	179.3	0	0	0	0	0	115.9	S275 S276 Y583	S275-G278 PolarHBondContact O-N 2.87Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S276-G278 PolarHBondContact O-N 3.13Å; G278-Y583 WeakPolarHBondContact CA-OH 3.37Å; G278-Y583 WeakPolarHBondContact O-CE1 3.47Å; G278-Y583 VanDerWaalsContact O-CZ 3.28Å; G278-Y583 PolarHBondContact O-OH 2.92Å
279	N	84.8	Confident	80.4	Confident	7 Å²	7	18.5 Å²	18.5	4%	0.037	10%	0.096	C	C	.	.	S	Bend	trans	-142.6	143.8	-174.2	-69.1	-92.2	0	0	0	110.1	L277 V281 T440 L443 R588	L277-N279 HydrophobicContact CG-CB 4.45Å; L277-N279 PolarHBondContact O-N 2.02Å; L277-N279 VanDerWaalsContact O-N 3.17Å; L277-N279 PolarHBondContact O-ND2 3.13Å; N279-V281 HydrophobicContact CB-CG2 4.16Å; N279-V281 PolarHBondContact O-N 3.21Å; N279-T440 PolarHBondContact ND2-OG1 2.84Å; N279-L443 HydrophobicContact CB-CD1 4.22Å; N279-R588 PolarHBondContact OD1-NH1 2.59Å
280	A	83.9	Confident	80.9	Confident	14 Å²	14	18.4 Å²	18.4	12%	0.116	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	80	-179.6	0	0	0	0	0	111.5	E235 R236 Y583 L585	E235-A280 CarbonylContact C-O 3.53Å; E235-A280 WeakPolarHBondContact CA-O 3.06Å; E235-A280 HydrophobicContact CG-CB 4.48Å; R236-A280 PolarHBondContact N-O 2.94Å; A280-Y583 HydrophobicContact CB-CD1 4.36Å; A280-L585 HydrophobicContact CB-CD2 3.96Å
281	V	87	Confident	81.9	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.3	-178	-177.4	0	0	0	0	110.9	V238 F272 H273 L277 N279 I283 F396 I439	V238-V281 HydrophobicContact CG2-CG1 3.84Å; F272-V281 HydrophobicContact CB-CB 4.44Å; F272-V281 HydrophobicContact CB-CG1 4.41Å; F272-V281 HydrophobicContact CD1-CB 4.24Å; F272-V281 HydrophobicContact CD1-CG1 3.92Å; F272-V281 HydrophobicContact CG-CG1 4.41Å; H273-V281 PolarHBondContact CD2-O 2.89Å; H273-V281 VanDerWaalsContact CD2-O 3.25Å; L277-V281 HydrophobicContact CD2-CB 4.03Å; L277-V281 HydrophobicContact CD2-CG2 3.87Å; N279-V281 HydrophobicContact CB-CG2 4.16Å; N279-V281 PolarHBondContact O-N 3.21Å; V281-I283 HydrophobicContact CG1-CD1 4.35Å; V281-F396 HydrophobicContact CG1-CE2 4.12Å; V281-F396 HydrophobicContact CG1-CZ 3.82Å; V281-F396 HydrophobicContact CG2-CZ 4.5Å; V281-I439 HydrophobicContact CG2-CD1 3.91Å
282	N	82.6	Confident	82.4	Confident	23 Å²	23	14.7 Å²	14.7	12%	0.123	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.1	179.5	-69.2	-74.8	0	0	0	110.9	E235 R236 Y237 V238 H273	E235-N282 PolarHBondContact OE1-ND2 2.87Å; R236-N282 WeakPolarHBondContact O-CB 3.49Å; R236-N282 PolarHBondContact O-N 3.36Å; Y237-N282 HydrophobicContact CD1-CB 3.55Å; Y237-N282 HydrophobicContact CE1-CB 3.54Å; Y237-N282 WeakPolarHBondContact CE1-ND2 3.37Å; V238-N282 PolarHBondContact N-O 2.87Å; H273-N282 PolarHBondContact NE2-OD1 2.9Å
283	I	83.6	Confident	82.5	Confident	6 Å²	6	17.1 Å²	17.1	3%	0.031	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.3	170.5	-51.8	-54.7	0	0	0	109	V238 M265 V268 A269 F272 V281	V238-I283 HydrophobicContact CB-CD1 3.8Å; V238-I283 HydrophobicContact CG1-CD1 4.19Å; V238-I283 HydrophobicContact CG2-CD1 3.88Å; M265-I283 HydrophobicContact CE-CG2 4.09Å; V268-I283 HydrophobicContact CG1-CG1 4.4Å; A269-I283 HydrophobicContact CB-CB 4.19Å; F272-I283 HydrophobicContact CB-CD1 4.32Å; F272-I283 HydrophobicContact CB-CG1 3.98Å; F272-I283 HydrophobicContact CD1-CD1 4.4Å; F272-I283 HydrophobicContact CD2-CD1 3.69Å; F272-I283 HydrophobicContact CD2-CG1 3.61Å; F272-I283 HydrophobicContact CE2-CD1 4.12Å; F272-I283 HydrophobicContact CE2-CG1 4.39Å; F272-I283 HydrophobicContact CG-CD1 3.86Å; F272-I283 HydrophobicContact CG-CG1 3.91Å; V281-I283 HydrophobicContact CG1-CD1 4.35Å
284	V	82.3	Confident	83.1	Confident	5 Å²	5	17.7 Å²	17.7	3%	0.03	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113.8	-178.7	-178.7	0	0	0	0	109	Y237 V238 T240 T286 P455	Y237-V284 HydrophobicContact CD1-CG2 4.14Å; V238-V284 PolarHBondContact O-N 3.03Å; T240-V284 PolarHBondContact N-O 3.46Å; V284-T286 PolarHBondContact O-N 2.92Å; V284-P455 HydrophobicContact CB-CG 4.34Å; V284-P455 HydrophobicContact CG1-CG 4.16Å; V284-P455 HydrophobicContact CG2-CG 4.13Å
285	V	82.7	Confident	83.7	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.2	178.1	-174.4	0	0	0	0	109.6	L96 S97 F100 T240 V242 M265	L96-V285 HydrophobicContact CD2-CB 4.07Å; S97-V285 PolarHBondContact N-O 2.85Å; F100-V285 HydrophobicContact CD2-CG1 4Å; F100-V285 HydrophobicContact CE2-CB 4.49Å; F100-V285 HydrophobicContact CE2-CG1 3.58Å; T240-V285 WeakPolarHBondContact O-CA 3.42Å; V242-V285 HydrophobicContact CG2-CG1 4.03Å; V242-V285 HydrophobicContact CG2-CG2 4.45Å; M265-V285 HydrophobicContact CB-CG2 4.05Å; M265-V285 HydrophobicContact CE-CG2 4.2Å; M265-V285 HydrophobicContact CG-CG2 4.24Å
286	T	78.6	Confident	84.2	Confident	8 Å²	8	19 Å²	19	5%	0.049	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-36.6	-177.8	57.8	0	0	0	0	113.3	F100 E239 T240 V284 H336	F100-T286 WeakPolarHBondContact CA-O 3.28Å; F100-T286 WeakPolarHBondContact CD2-O 3.37Å; E239-T286 HydrophobicContact CB-CG2 3.71Å; E239-T286 HydrophobicContact CG-CG2 4.02Å; T240-T286 PolarHBondContact O-N 3.09Å; T240-T286 PolarHBondContact O-OG1 3.29Å; V284-T286 PolarHBondContact O-N 2.92Å; T286-H336 PolarHBondContact OG1-O 3.12Å
287	R	83.3	Confident	84.7	Confident	26 Å²	26	23.1 Å²	23.1	10%	0.098	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.1	175.9	-71.7	168.7	74.2	-173	1.7	111.5	E103 L241 V242	E103-R287 IonicContact OE1-CZ 3.5Å; E103-R287 IonicContact OE1-NE 3.24Å; E103-R287 PolarHBondContact OE1-NE 2.93Å; E103-R287 IonicContact OE1-NH2 2.82Å; E103-R287 PolarHBondContact OE1-NH2 2.98Å; E103-R287 IonicContact OE2-CZ 3.43Å; E103-R287 IonicContact OE2-NH2 2.78Å; E103-R287 PolarHBondContact OE2-NH2 3.17Å; L241-R287 HydrophobicContact CD1-CB 3.82Å; V242-R287 PolarHBondContact N-O 2.93Å
288	L	86.8	Confident	85	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.5	168.9	174.8	58.9	0	0	0	109.7	F100 R101 V102 E103 V242 E258 I261 L290	F100-L288 HydrophobicContact CE2-CB 3.79Å; F100-L288 HydrophobicContact CZ-CB 3.71Å; R101-L288 PolarHBondContact O-N 2.87Å; V102-L288 WeakPolarHBondContact CA-O 3.27Å; V102-L288 HydrophobicContact CG1-CD2 4.18Å; V102-L288 HydrophobicContact CG1-CG 4.25Å; V102-L288 HydrophobicContact CG2-CB 4.36Å; V102-L288 HydrophobicContact CG2-CD2 4.23Å; E103-L288 PolarHBondContact N-O 3.46Å; V242-L288 HydrophobicContact CB-CD1 4.1Å; V242-L288 HydrophobicContact CG1-CD1 4.03Å; V242-L288 CarbonylContact O-C 3.55Å; V242-L288 WeakPolarHBondContact O-CA 3.43Å; E258-L288 HydrophobicContact CG-CD2 4.24Å; I261-L288 HydrophobicContact CD1-CD1 4.02Å; I261-L288 HydrophobicContact CG2-CD1 3.97Å; L288-L290 HydrophobicContact CD1-CD2 4.03Å; L288-L290 HydrophobicContact CD2-CD2 4.42Å; L288-L290 HydrophobicContact CG-CD2 4.15Å; L288-L290 HydrophobicContact CG-CG 4.41Å
289	I	90	Very high	85.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.9	177.3	-62.9	179.3	0	0	0	109.9	E103 W105 L241 V242 V243 A244 L291 W314 I318	E103-I289 HydrophobicContact CB-CG1 4.3Å; E103-I289 WeakPolarHBondContact O-CA 3.31Å; W105-I289 HydrophobicContact CG-CG2 4.02Å; L241-I289 HydrophobicContact CD1-CD1 3.87Å; L241-I289 HydrophobicContact CD1-CG1 4.04Å; V242-I289 PolarHBondContact O-N 2.94Å; V243-I289 CarbonylContact C-O 3.51Å; V243-I289 WeakPolarHBondContact CA-O 3.43Å; V243-I289 HydrophobicContact CG1-CB 4.32Å; V243-I289 HydrophobicContact CG1-CG2 4.31Å; V243-I289 HydrophobicContact CG2-CB 4.3Å; A244-I289 PolarHBondContact N-O 2.74Å; I289-L291 HydrophobicContact CG2-CD2 3.61Å; I289-L291 HydrophobicContact CG2-CG 4.43Å; I289-W314 HydrophobicContact CD1-CH2 4.19Å; I289-W314 HydrophobicContact CG2-CH2 4.42Å; I289-I318 HydrophobicContact CD1-CG2 4.3Å
290	L	88.8	Confident	85.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.8	175.5	-57.5	-178.4	0	0	0	109.1	V102 E103 Y104 W105 A244 V249 I257 E258 I261 L288 M292	V102-L290 HydrophobicContact CG1-CD1 3.99Å; V102-L290 HydrophobicContact CG1-CG 4.28Å; E103-L290 PolarHBondContact O-N 2.87Å; Y104-L290 WeakPolarHBondContact CA-O 3.21Å; Y104-L290 HydrophobicContact CD1-CB 4.39Å; Y104-L290 HydrophobicContact CD1-CD1 4.36Å; Y104-L290 HydrophobicContact CE1-CD1 3.78Å; Y104-L290 HydrophobicContact CE2-CD1 4.13Å; W105-L290 PolarHBondContact N-O 2.93Å; A244-L290 HydrophobicContact CB-CD2 3.89Å; V249-L290 HydrophobicContact CG2-CB 4.17Å; I257-L290 HydrophobicContact CD1-CD2 4.05Å; I257-L290 HydrophobicContact CG1-CD2 4.28Å; I257-L290 HydrophobicContact CG2-CD1 3.95Å; E258-L290 HydrophobicContact CG-CD1 4.19Å; I261-L290 HydrophobicContact CD1-CD2 4.01Å; L288-L290 HydrophobicContact CD1-CD2 4.03Å; L288-L290 HydrophobicContact CD2-CD2 4.42Å; L288-L290 HydrophobicContact CG-CD2 4.15Å; L288-L290 HydrophobicContact CG-CG 4.41Å; L290-M292 HydrophobicContact CB-SD 4.41Å; L290-M292 PolarHBondContact O-N 3.22Å
291	L	90.7	Very high	85.9	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.4	-179.3	-52.3	179.9	0	0	0	109.5	W105 V243 A244 D245 K246 I289 Q295 L298 I300 W314	W105-L291 HydrophobicContact CB-CD2 3.97Å; V243-L291 HydrophobicContact CG1-CD1 3.93Å; V243-L291 HydrophobicContact CG1-CD2 4.39Å; V243-L291 HydrophobicContact CG1-CG 3.99Å; A244-L291 PolarHBondContact O-N 3.22Å; D245-L291 CarbonylContact C-O 3.32Å; K246-L291 WeakPolarHBondContact CA-O 3.41Å; K246-L291 PolarHBondContact N-O 3.06Å; K246-L291 VanDerWaalsContact N-O 3.11Å; I289-L291 HydrophobicContact CG2-CD2 3.61Å; I289-L291 HydrophobicContact CG2-CG 4.43Å; L291-Q295 HydrophobicContact CD1-CG 4.17Å; L291-Q295 HydrophobicContact CD2-CG 3.86Å; L291-Q295 HydrophobicContact CG-CG 4.47Å; L291-L298 HydrophobicContact CD1-CD2 3.71Å; L291-I300 HydrophobicContact CD1-CD1 4.32Å; L291-W314 HydrophobicContact CD2-CH2 4.41Å; L291-W314 HydrophobicContact CD2-CZ2 4.46Å
292	M	85.4	Confident	85.7	Confident	29 Å²	29	33.5 Å²	33.5	14%	0.143	18%	0.178	C	C	.	.	S	Bend	trans	-86.8	-23.5	-174.5	-52.8	-53	-66.2	0	0	113.2	Y104 W105 K106 V249 R254 L290	Y104-M292 HydrophobicContact CD1-CE 4.17Å; Y104-M292 HydrophobicContact CD1-CG 4.39Å; Y104-M292 HydrophobicContact CD1-SD 3.58Å; Y104-M292 VanDerWaalsContact CD1-SD 3.58Å; Y104-M292 HydrophobicContact CE1-SD 4.33Å; Y104-M292 HydrophobicContact CG-SD 4.46Å; W105-M292 WeakPolarHBondContact O-CB 3.05Å; W105-M292 WeakPolarHBondContact O-CG 3.36Å; W105-M292 PolarHBondContact O-N 2.84Å; K106-M292 HydrophobicContact CG-CB 3.92Å; K106-M292 HydrophobicContact CG-CG 4.44Å; V249-M292 HydrophobicContact CG1-CE 3.54Å; V249-M292 HydrophobicContact CG1-SD 3.82Å; V249-M292 HydrophobicContact CG2-SD 4.19Å; R254-M292 HydrophobicContact CG-CE 4.08Å; R254-M292 VanDerWaalsContact CZ-CE 3.44Å; L290-M292 HydrophobicContact CB-SD 4.41Å; L290-M292 PolarHBondContact O-N 3.22Å
293	E	85.3	Confident	85.8	Confident	51 Å²	51	35.1 Å²	35.1	24%	0.238	19%	0.185	C	C	.	.	S	Bend	trans	-144.8	169.1	-179.3	-68.1	178.2	-123.6	0	0	107.5	K106 R107 Q295	K106-E293 VanDerWaalsContact CD-OE1 3.29Å; K106-E293 WeakPolarHBondContact CD-OE1 3.02Å; K106-E293 WeakPolarHBondContact CE-OE1 3.29Å; K106-E293 HydrophobicContact CG-CG 4.46Å; K106-E293 IonicContact NZ-OE1 3.56Å; R107-E293 HydrophobicContact CG-CB 4.41Å; R107-E293 IonicContact CZ-OE2 2.71Å; R107-E293 VanDerWaalsContact CZ-OE2 3.31Å; R107-E293 IonicContact NE-OE2 3.78Å; R107-E293 PolarHBondContact NE-OE2 3.46Å; R107-E293 IonicContact NH2-OE2 2.65Å; R107-E293 PolarHBondContact NH2-OE2 3.18Å; E293-Q295 PolarHBondContact O-NE2 3.09Å
294	D	86.1	Confident	85.7	Confident	97 Å²	97	34.8 Å²	34.8	52%	0.519	18%	0.184	S	C	.	.			trans	-61	148.2	173.1	-62.6	-63.6	0	0	0	111.8	K246	K246-D294 WeakPolarHBondContact CD-OD1 3.38Å; K246-D294 WeakPolarHBondContact CE-OD1 3.07Å; K246-D294 IonicContact NZ-OD1 2.86Å; K246-D294 PolarHBondContact NZ-OD1 3.3Å; K246-D294 IonicContact NZ-OD2 3.48Å; K246-D294 PolarHBondContact NZ-OD2 3.41Å
295	Q	87.5	Confident	85.7	Confident	9 Å²	9	35.2 Å²	35.2	4%	0.042	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-108.4	136.6	-179.9	-48	-64.8	-56.2	0	0	109.3	G108 L291 E293 T297 L298	G108-Q295 VanDerWaalsContact CA-OE1 3.3Å; L291-Q295 HydrophobicContact CD1-CG 4.17Å; L291-Q295 HydrophobicContact CD2-CG 3.86Å; L291-Q295 HydrophobicContact CG-CG 4.47Å; E293-Q295 PolarHBondContact O-NE2 3.09Å; Q295-T297 PolarHBondContact O-N 3.08Å; Q295-L298 HydrophobicContact CB-CB 4.16Å; Q295-L298 PolarHBondContact O-N 3.21Å; Q295-L298 VanDerWaalsContact O-N 3.16Å
296	P	81.4	Confident	85.9	Confident	104 Å²	104	40 Å²	40	68%	0.675	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.3	-170.6	-27.4	35.1	0	0	0	116.6	R107	R107-P296 VanDerWaalsContact C-CD 3.49Å
297	T	85.4	Confident	86.4	Confident	95 Å²	95	39.8 Å²	39.8	58%	0.583	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.2	17.3	-175.7	52.3	0	0	0	0	113.4	Q295	Q295-T297 PolarHBondContact O-N 3.08Å
298	L	90.5	Very high	86.8	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.063	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-133.5	108.2	178	-179	55	0	0	0	110.6	L291 Q295 I300 F311 W314	L291-L298 HydrophobicContact CD1-CD2 3.71Å; Q295-L298 HydrophobicContact CB-CB 4.16Å; Q295-L298 PolarHBondContact O-N 3.21Å; Q295-L298 VanDerWaalsContact O-N 3.16Å; L298-I300 HydrophobicContact CD1-CG1 4.24Å; L298-I300 HydrophobicContact CD2-CD1 4.06Å; L298-I300 HydrophobicContact CD2-CG1 4.35Å; L298-I300 HydrophobicContact CG-CD1 4.17Å; L298-I300 HydrophobicContact CG-CG1 3.9Å; L298-F311 HydrophobicContact CD1-CB 4.02Å; L298-F311 HydrophobicContact CD1-CD2 4.15Å; L298-F311 HydrophobicContact CD2-CD2 4.47Å; L298-W314 HydrophobicContact CB-CB 4.37Å; L298-W314 HydrophobicContact CB-CD2 4.44Å; L298-W314 HydrophobicContact CB-CG 3.93Å; L298-W314 HydrophobicContact CD1-CB 3.98Å; L298-W314 HydrophobicContact CD1-CG 4.22Å; L298-W314 HydrophobicContact CD2-CD2 3.9Å; L298-W314 HydrophobicContact CD2-CE3 4.16Å; L298-W314 HydrophobicContact CD2-CG 4.16Å; L298-W314 HydrophobicContact CG-CG 4.32Å
299	E	90.6	Very high	86.9	Confident	96 Å²	96	43.4 Å²	43.4	45%	0.449	23%	0.23	S	C	.	.			trans	-92.6	109.6	175.3	-168.1	-170.6	163.3	0	0	108.8	N301 K306 S310	E299-N301 WeakPolarHBondContact CG-ND2 3.37Å; E299-N301 PolarHBondContact OE1-ND2 3.04Å; E299-K306 IonicContact OE1-NZ 3.95Å; E299-S310 PolarHBondContact N-OG 3.19Å
300	I	89.1	Confident	87	Confident	24 Å²	24	44.4 Å²	44.4	12%	0.123	24%	0.237	C	C	.	.			trans	-111.6	120.5	172.2	-49.9	174.6	0	0	0	108	D245 L291 L298 L342 Y346	D245-I300 HydrophobicContact CB-CD1 3.71Å; L291-I300 HydrophobicContact CD1-CD1 4.32Å; L298-I300 HydrophobicContact CD1-CG1 4.24Å; L298-I300 HydrophobicContact CD2-CD1 4.06Å; L298-I300 HydrophobicContact CD2-CG1 4.35Å; L298-I300 HydrophobicContact CG-CD1 4.17Å; L298-I300 HydrophobicContact CG-CG1 3.9Å; I300-L342 HydrophobicContact CD1-CD1 4.06Å; I300-L342 HydrophobicContact CD1-CD2 3.96Å; I300-L342 HydrophobicContact CG1-CD2 4.14Å; I300-L342 HydrophobicContact CG2-CD2 4.38Å; I300-Y346 HydrophobicContact CB-CD2 4.46Å; I300-Y346 HydrophobicContact CB-CE2 4.42Å; I300-Y346 HydrophobicContact CG2-CD2 3.66Å; I300-Y346 HydrophobicContact CG2-CE2 4.1Å
301	N	85.6	Confident	87.3	Confident	35 Å²	35	44.4 Å²	44.4	19%	0.187	24%	0.237	C	C	.	.			trans	-152.5	-179.3	178.1	67.2	62.3	0	0	0	111.8	E299 H303 S307	E299-N301 WeakPolarHBondContact CG-ND2 3.37Å; E299-N301 PolarHBondContact OE1-ND2 3.04Å; N301-H303 PolarHBondContact O-N 3.42Å; N301-H303 VanDerWaalsContact O-N 3.16Å; N301-H303 WeakPolarHBondContact OD1-CA 3.45Å; N301-H303 WeakPolarHBondContact OD1-CB 3.36Å; N301-H303 PolarHBondContact OD1-N 2.62Å; N301-S307 PolarHBondContact N-OG 2.71Å; N301-S307 PolarHBondContact O-OG 3.45Å
302	H	83.2	Confident	87.3	Confident	76 Å²	76	44.6 Å²	44.6	35%	0.352	24%	0.238	S	C	.	.	S	Bend	trans	-61.9	-15.7	-179.1	-64.3	-79.3	0	0	0	115.4	A304 Y346 D347 C349	H302-A304 PolarHBondContact O-N 3.49Å; H302-Y346 AromaticContact CE1-CD1 3.93Å; H302-Y346 AromaticContact NE2-CD1 3.74Å; H302-D347 WeakPolarHBondContact CB-O 3.16Å; H302-D347 PolarHBondContact ND1-O 2.86Å; H302-C349 PolarHBondContact O-N 2.58Å; H302-C349 PolarHBondContact O-SG 3.12Å
303	H	84.1	Confident	87.5	Confident	56 Å²	56	49.3 Å²	49.3	26%	0.259	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-89.6	94	-178.6	-169.9	-44.4	0	0	0	110.4	N301 G305 K306 S307	N301-H303 PolarHBondContact O-N 3.42Å; N301-H303 VanDerWaalsContact O-N 3.16Å; N301-H303 WeakPolarHBondContact OD1-CA 3.45Å; N301-H303 WeakPolarHBondContact OD1-CB 3.36Å; N301-H303 PolarHBondContact OD1-N 2.62Å; H303-G305 VanDerWaalsContact C-N 3.35Å; H303-G305 PolarHBondContact O-N 2.03Å; H303-G305 VanDerWaalsContact O-N 3.13Å; H303-K306 HydrophobicContact CB-CB 4.3Å; H303-K306 HydrophobicContact CB-CD 4.35Å; H303-K306 HydrophobicContact CB-CG 4.43Å; H303-K306 WeakPolarHBondContact O-CB 3.44Å; H303-K306 PolarHBondContact O-N 3.39Å; H303-S307 PolarHBondContact O-N 2.84Å
304	A	82.4	Confident	87.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-46.3	-52.2	-170.4	0	0	0	0	0	113.4	H302 K306 S307 L308 I348 C349 L361 I376	H302-A304 PolarHBondContact O-N 3.49Å; A304-K306 VanDerWaalsContact C-N 3.32Å; A304-K306 PolarHBondContact O-N 2.79Å; A304-S307 PolarHBondContact O-N 3.21Å; A304-L308 PolarHBondContact O-N 2.74Å; A304-I348 HydrophobicContact CB-CB 4.24Å; A304-C349 PolarHBondContact N-O 2.87Å; A304-L361 HydrophobicContact CB-CD2 4Å; A304-I376 HydrophobicContact CB-CD1 4.12Å; A304-I376 WeakPolarHBondContact O-CD1 3.39Å
305	G	82.8	Confident	87.9	Confident	14 Å²	14	42.8 Å²	42.8	14%	0.144	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-36.5	179.3	0	0	0	0	0	115	H303 D309	H303-G305 VanDerWaalsContact C-N 3.35Å; H303-G305 PolarHBondContact O-N 2.03Å; H303-G305 VanDerWaalsContact O-N 3.13Å; G305-D309 WeakPolarHBondContact O-CB 3.28Å; G305-D309 PolarHBondContact O-N 2.82Å
306	K	85.4	Confident	87.7	Confident	103 Å²	103	45.2 Å²	45.2	45%	0.448	23%	0.234	S	C	.	.	H	α-helix	trans	-71.8	-45.1	176.8	-79.4	-171.5	158.9	-150.4	0	111.9	E299 H303 A304 L308 D309 S310	E299-K306 IonicContact OE1-NZ 3.95Å; H303-K306 HydrophobicContact CB-CB 4.3Å; H303-K306 HydrophobicContact CB-CD 4.35Å; H303-K306 HydrophobicContact CB-CG 4.43Å; H303-K306 WeakPolarHBondContact O-CB 3.44Å; H303-K306 PolarHBondContact O-N 3.39Å; A304-K306 VanDerWaalsContact C-N 3.32Å; A304-K306 PolarHBondContact O-N 2.79Å; K306-L308 VanDerWaalsContact C-N 3.27Å; K306-L308 PolarHBondContact O-N 2.9Å; K306-D309 PolarHBondContact O-N 3.24Å; K306-S310 WeakPolarHBondContact O-CB 3.37Å; K306-S310 PolarHBondContact O-N 3.1Å
307	S	89.8	Confident	87.7	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-39.7	178.7	-61.3	0	0	0	0	111	N301 H303 A304 F311	N301-S307 PolarHBondContact N-OG 2.71Å; N301-S307 PolarHBondContact O-OG 3.45Å; H303-S307 PolarHBondContact O-N 2.84Å; A304-S307 PolarHBondContact O-N 3.21Å; S307-F311 WeakPolarHBondContact O-CB 3.46Å; S307-F311 PolarHBondContact O-N 2.85Å
308	L	90.8	Very high	87.2	Confident	14 Å²	14	38.8 Å²	38.8	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-54.1	172.4	-178.4	64.5	0	0	0	111.1	A304 K306 S310 F311 C312 L361 P363 C374 I376	A304-L308 PolarHBondContact O-N 2.74Å; K306-L308 VanDerWaalsContact C-N 3.27Å; K306-L308 PolarHBondContact O-N 2.9Å; L308-S310 PolarHBondContact O-N 2.83Å; L308-S310 VanDerWaalsContact O-N 3.16Å; L308-F311 PolarHBondContact O-N 3.43Å; L308-C312 WeakPolarHBondContact CD1-SG 3.06Å; L308-C312 WeakPolarHBondContact O-CB 3.42Å; L308-C312 PolarHBondContact O-N 2.95Å; L308-C312 PolarHBondContact O-SG 3.26Å; L308-L361 HydrophobicContact CB-CD2 4.18Å; L308-L361 HydrophobicContact CD2-CB 4.46Å; L308-L361 HydrophobicContact CD2-CD2 3.7Å; L308-L361 HydrophobicContact CD2-CG 3.75Å; L308-P363 HydrophobicContact CD2-CG 4.22Å; L308-C374 HydrophobicContact CD1-CB 4.27Å; L308-I376 HydrophobicContact CB-CD1 4.12Å; L308-I376 HydrophobicContact CB-CG1 4.28Å; L308-I376 HydrophobicContact CB-CG2 4.17Å; L308-I376 HydrophobicContact CD1-CG2 3.99Å
309	D	89.5	Confident	85.8	Confident	91 Å²	91	40.1 Å²	40.1	49%	0.487	20%	0.199	S	C	.	.	H	α-helix	trans	-54.2	-36.8	179.3	-114.7	40.8	0	0	0	113.4	G305 K306 K313	G305-D309 WeakPolarHBondContact O-CB 3.28Å; G305-D309 PolarHBondContact O-N 2.82Å; K306-D309 PolarHBondContact O-N 3.24Å; D309-K313 WeakPolarHBondContact O-CD 3.45Å; D309-K313 WeakPolarHBondContact O-CE 3.02Å; D309-K313 VanDerWaalsContact O-CG 3.24Å; D309-K313 WeakPolarHBondContact O-CG 3.41Å; D309-K313 PolarHBondContact O-NZ 2.85Å; D309-K313 IonicContact OD2-NZ 2.91Å; D309-K313 PolarHBondContact OD2-NZ 3.36Å
310	S	92.7	Very high	83.9	Confident	21 Å²	21	41 Å²	41	15%	0.147	20%	0.202	C	C	.	.	H	α-helix	trans	-74.4	-46.5	176.3	-163.6	0	0	0	0	111.3	E299 K306 L308 K313 W314	E299-S310 PolarHBondContact N-OG 3.19Å; K306-S310 WeakPolarHBondContact O-CB 3.37Å; K306-S310 PolarHBondContact O-N 3.1Å; L308-S310 PolarHBondContact O-N 2.83Å; L308-S310 VanDerWaalsContact O-N 3.16Å; S310-K313 PolarHBondContact O-N 3.09Å; S310-W314 WeakPolarHBondContact O-CB 3.4Å; S310-W314 PolarHBondContact O-N 2.57Å
311	F	94.4	Very high	82	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-45.3	179.1	-177.2	-116.8	0	0	0	113.1	V243 L298 S307 L308 K313 W314 Q315 A340 L342 C374 S375 I376	V243-F311 HydrophobicContact CB-CE2 3.99Å; V243-F311 HydrophobicContact CB-CZ 4.2Å; V243-F311 HydrophobicContact CG1-CE2 4.34Å; V243-F311 HydrophobicContact CG2-CE2 3.8Å; V243-F311 HydrophobicContact CG2-CZ 3.9Å; L298-F311 HydrophobicContact CD1-CB 4.02Å; L298-F311 HydrophobicContact CD1-CD2 4.15Å; L298-F311 HydrophobicContact CD2-CD2 4.47Å; S307-F311 WeakPolarHBondContact O-CB 3.46Å; S307-F311 PolarHBondContact O-N 2.85Å; L308-F311 PolarHBondContact O-N 3.43Å; F311-K313 VanDerWaalsContact C-N 3.29Å; F311-K313 PolarHBondContact O-N 2.76Å; F311-W314 HydrophobicContact CD2-CE3 4.21Å; F311-W314 HydrophobicContact CE2-CE3 4.07Å; F311-W314 HydrophobicContact CE2-CZ3 4.26Å; F311-W314 PolarHBondContact O-N 3Å; F311-W314 VanDerWaalsContact O-N 3.14Å; F311-Q315 VanDerWaalsContact O-CG 3.29Å; F311-Q315 WeakPolarHBondContact O-CG 3.4Å; F311-Q315 PolarHBondContact O-N 3.44Å; F311-A340 HydrophobicContact CE1-CB 3.83Å; F311-A340 HydrophobicContact CZ-CB 3.79Å; F311-L342 HydrophobicContact CB-CD2 4.3Å; F311-L342 HydrophobicContact CD1-CB 3.78Å; F311-L342 HydrophobicContact CD2-CB 4.01Å; F311-L342 HydrophobicContact CD2-CD1 4.45Å; F311-L342 HydrophobicContact CD2-CD2 4.17Å; F311-L342 HydrophobicContact CD2-CG 4.44Å; F311-L342 HydrophobicContact CE1-CB 3.65Å; F311-L342 HydrophobicContact CE2-CB 3.89Å; F311-L342 HydrophobicContact CE2-CD1 4.34Å; F311-L342 HydrophobicContact CG-CB 3.97Å; F311-L342 HydrophobicContact CG-CD2 4.13Å; F311-L342 HydrophobicContact CZ-CB 3.7Å; F311-C374 HydrophobicContact CD1-CB 4.26Å; F311-C374 HydrophobicContact CE1-CB 4.49Å; F311-S375 WeakPolarHBondContact CE1-O 3.05Å; F311-I376 HydrophobicContact CB-CG2 4.24Å; F311-I376 HydrophobicContact CD1-CG2 4.19Å; F311-I376 HydrophobicContact CG-CG2 4.48Å
312	C	90.6	Very high	80	Confident	8 Å²	8	48.5 Å²	48.5	5%	0.054	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-39	176.4	-61.5	0	0	0	0	112.4	L308 Q315 C374	L308-C312 WeakPolarHBondContact CD1-SG 3.06Å; L308-C312 WeakPolarHBondContact O-CB 3.42Å; L308-C312 PolarHBondContact O-N 2.95Å; L308-C312 PolarHBondContact O-SG 3.26Å; C312-Q315 WeakPolarHBondContact O-CG 3.36Å; C312-Q315 PolarHBondContact O-NE2 2.87Å; C312-C374 HydrophobicContact CB-CB 3.94Å; C312-C374 WeakPolarHBondContact CB-SG 3.29Å; C312-C374 WeakPolarHBondContact SG-CB 3.29Å; C312-C374 CovalentContact SG-SG 2.02Å; C312-C374 PolarHBondContact SG-SG 3.27Å
313	K	90	Very high	77.8	Confident	127 Å²	127	48.5 Å²	48.5	55%	0.552	25%	0.245	S	C	*	.	H	α-helix	trans	-73	-41	175.4	-68.2	165.5	-163.2	140.3	0	111.3	D309 S310 F311	D309-K313 WeakPolarHBondContact O-CD 3.45Å; D309-K313 WeakPolarHBondContact O-CE 3.02Å; D309-K313 VanDerWaalsContact O-CG 3.24Å; D309-K313 WeakPolarHBondContact O-CG 3.41Å; D309-K313 PolarHBondContact O-NZ 2.85Å; D309-K313 IonicContact OD2-NZ 2.91Å; D309-K313 PolarHBondContact OD2-NZ 3.36Å; S310-K313 PolarHBondContact O-N 3.09Å; F311-K313 VanDerWaalsContact C-N 3.29Å; F311-K313 PolarHBondContact O-N 2.76Å
314	W	90.5	Very high	75.4	Confident	8 Å²	8	50.9 Å²	50.9	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-49.2	-179.3	-177.9	86.6	0	0	0	113	V243 I289 L291 L298 S310 F311 K316 T317 I318	V243-W314 HydrophobicContact CG1-CZ3 4.4Å; V243-W314 HydrophobicContact CG2-CZ3 4.16Å; I289-W314 HydrophobicContact CD1-CH2 4.19Å; I289-W314 HydrophobicContact CG2-CH2 4.42Å; L291-W314 HydrophobicContact CD2-CH2 4.41Å; L291-W314 HydrophobicContact CD2-CZ2 4.46Å; L298-W314 HydrophobicContact CB-CB 4.37Å; L298-W314 HydrophobicContact CB-CD2 4.44Å; L298-W314 HydrophobicContact CB-CG 3.93Å; L298-W314 HydrophobicContact CD1-CB 3.98Å; L298-W314 HydrophobicContact CD1-CG 4.22Å; L298-W314 HydrophobicContact CD2-CD2 3.9Å; L298-W314 HydrophobicContact CD2-CE3 4.16Å; L298-W314 HydrophobicContact CD2-CG 4.16Å; L298-W314 HydrophobicContact CG-CG 4.32Å; S310-W314 WeakPolarHBondContact O-CB 3.4Å; S310-W314 PolarHBondContact O-N 2.57Å; F311-W314 HydrophobicContact CD2-CE3 4.21Å; F311-W314 HydrophobicContact CE2-CE3 4.07Å; F311-W314 HydrophobicContact CE2-CZ3 4.26Å; F311-W314 PolarHBondContact O-N 3Å; F311-W314 VanDerWaalsContact O-N 3.14Å; W314-K316 VanDerWaalsContact C-N 3.25Å; W314-K316 PolarHBondContact O-N 3.34Å; W314-T317 WeakPolarHBondContact O-CB 3.37Å; W314-T317 PolarHBondContact O-N 3.18Å; W314-T317 PolarHBondContact O-OG1 2.03Å; W314-I318 HydrophobicContact CD2-CG1 4.22Å; W314-I318 HydrophobicContact CE3-CG1 4.02Å; W314-I318 HydrophobicContact CH2-CD1 3.9Å; W314-I318 HydrophobicContact CH2-CG1 3.75Å; W314-I318 HydrophobicContact CZ2-CD1 3.68Å; W314-I318 HydrophobicContact CZ2-CG1 3.96Å; W314-I318 HydrophobicContact CZ3-CD1 4.41Å; W314-I318 HydrophobicContact CZ3-CG1 3.77Å; W314-I318 PolarHBondContact O-N 3.48Å
315	Q	88.5	Confident	73.1	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-35.7	-176.6	63.7	75.9	30.2	0	0	112.4	L241 F311 C312 T317 I318 Q319 H337 A340 P370	L241-Q315 HydrophobicContact CD2-CB 4.46Å; F311-Q315 VanDerWaalsContact O-CG 3.29Å; F311-Q315 WeakPolarHBondContact O-CG 3.4Å; F311-Q315 PolarHBondContact O-N 3.44Å; C312-Q315 WeakPolarHBondContact O-CG 3.36Å; C312-Q315 PolarHBondContact O-NE2 2.87Å; Q315-T317 VanDerWaalsContact C-N 3.27Å; Q315-T317 PolarHBondContact O-N 3.44Å; Q315-I318 WeakPolarHBondContact O-CB 3.37Å; Q315-I318 PolarHBondContact O-N 3Å; Q315-Q319 PolarHBondContact O-N 3.04Å; Q315-H337 PolarHBondContact OE1-NE2 2.85Å; Q315-A340 HydrophobicContact CB-CB 3.81Å; Q315-A340 HydrophobicContact CG-CB 3.79Å; Q315-P370 PolarHBondContact NE2-O 3.19Å
316	K	84.3	Confident	70.4	Confident	60 Å²	60	64.2 Å²	64.2	26%	0.261	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-35.8	173.7	-169.1	-173.4	-178.9	-168.9	0	112.2	W314 I318 Q319 H320 E371	W314-K316 VanDerWaalsContact C-N 3.25Å; W314-K316 PolarHBondContact O-N 3.34Å; K316-I318 VanDerWaalsContact C-N 3.3Å; K316-I318 PolarHBondContact O-N 3.24Å; K316-Q319 WeakPolarHBondContact O-CB 3.46Å; K316-Q319 PolarHBondContact O-N 3.17Å; K316-H320 PolarHBondContact O-CD2 3.29Å; K316-H320 VanDerWaalsContact O-CD2 3.25Å; K316-H320 PolarHBondContact O-N 2.85Å; K316-E371 HydrophobicContact CD-CG 4.25Å; K316-E371 IonicContact NZ-OE1 2.85Å; K316-E371 PolarHBondContact NZ-OE1 3.02Å
317	T	81.8	Confident	68	Low	61 Å²	61	67.8 Å²	67.8	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-70.3	-25.6	176.4	73.6	0	0	0	0	113.2	W314 Q315 R321	W314-T317 WeakPolarHBondContact O-CB 3.37Å; W314-T317 PolarHBondContact O-N 3.18Å; W314-T317 PolarHBondContact O-OG1 2.03Å; Q315-T317 VanDerWaalsContact C-N 3.27Å; Q315-T317 PolarHBondContact O-N 3.44Å; T317-R321 WeakPolarHBondContact O-CG 3.39Å; T317-R321 PolarHBondContact O-N 3.34Å
318	I	75.4	Confident	65.2	Low	4 Å²	4	71.4 Å²	71.4	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-72.5	-35.2	175.3	-55.3	-56.4	0	0	0	111.1	W105 I289 W314 Q315 K316 S322	W105-I318 HydrophobicContact CH2-CD1 3.63Å; W105-I318 HydrophobicContact CZ2-CD1 4.27Å; W105-I318 HydrophobicContact CZ3-CD1 4.12Å; I289-I318 HydrophobicContact CD1-CG2 4.3Å; W314-I318 HydrophobicContact CD2-CG1 4.22Å; W314-I318 HydrophobicContact CE3-CG1 4.02Å; W314-I318 HydrophobicContact CH2-CD1 3.9Å; W314-I318 HydrophobicContact CH2-CG1 3.75Å; W314-I318 HydrophobicContact CZ2-CD1 3.68Å; W314-I318 HydrophobicContact CZ2-CG1 3.96Å; W314-I318 HydrophobicContact CZ3-CD1 4.41Å; W314-I318 HydrophobicContact CZ3-CG1 3.77Å; W314-I318 PolarHBondContact O-N 3.48Å; Q315-I318 WeakPolarHBondContact O-CB 3.37Å; Q315-I318 PolarHBondContact O-N 3Å; K316-I318 VanDerWaalsContact C-N 3.3Å; K316-I318 PolarHBondContact O-N 3.24Å; I318-S322 PolarHBondContact O-OG 3.3Å
319	Q	60.6	Low	63	Low	40 Å²	40	78.2 Å²	78.2	19%	0.187	43%	0.425	C	S	.	.	H	α-helix	trans	-59.5	-52.2	171.6	-151.1	177.2	22.6	0	0	110.1	Q315 K316 R321 S322 H336	Q315-Q319 PolarHBondContact O-N 3.04Å; K316-Q319 WeakPolarHBondContact O-CB 3.46Å; K316-Q319 PolarHBondContact O-N 3.17Å; Q319-R321 PolarHBondContact O-N 2.89Å; Q319-S322 PolarHBondContact O-N 3.08Å; Q319-H336 PolarHBondContact NE2-NE2 2.8Å
320	H	50.3	Low	60.4	Low	113 Å²	113	78 Å²	78	52%	0.523	43%	0.428	S	S	.	.	H	α-helix	trans	-69.8	-28.3	-179.3	-70.8	-65.1	0	0	0	115.4	K316 S322 S323	K316-H320 PolarHBondContact O-CD2 3.29Å; K316-H320 VanDerWaalsContact O-CD2 3.25Å; K316-H320 PolarHBondContact O-N 2.85Å; H320-S322 PolarHBondContact O-N 3.01Å; H320-S322 VanDerWaalsContact O-N 3.1Å; H320-S323 PolarHBondContact O-N 2.83Å; H320-S323 PolarHBondContact O-OG 2.8Å; H320-S323 VanDerWaalsContact O-OG 3.08Å
321	R	50	Low	57.7	Low	158 Å²	158	85 Å²	85	60%	0.596	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.8	177.9	-86.6	-176.6	175.5	-163.2	-0.3	114	G108 T317 Q319	G108-R321 PolarHBondContact O-NH1 3.11Å; T317-R321 WeakPolarHBondContact O-CG 3.39Å; T317-R321 PolarHBondContact O-N 3.34Å; Q319-R321 PolarHBondContact O-N 2.89Å
322	S	43.8	Very low	54.9	Low	59 Å²	59	90.1 Å²	90.1	41%	0.413	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.2	-178.9	-51.5	0	0	0	0	113.7	I318 Q319 H320 S324 A335	I318-S322 PolarHBondContact O-OG 3.3Å; Q319-S322 PolarHBondContact O-N 3.08Å; H320-S322 PolarHBondContact O-N 3.01Å; H320-S322 VanDerWaalsContact O-N 3.1Å; S322-S324 PolarHBondContact O-N 3.34Å; S322-A335 VanDerWaalsContact CB-CB 3.49Å
323	S	37	Very low	52.6	Low	77 Å²	77	91.8 Å²	91.8	54%	0.538	51%	0.51	S	S	.	.			trans	-98.2	34.7	-174	66.2	0	0	0	0	114	H320 Y325	H320-S323 PolarHBondContact O-N 2.83Å; H320-S323 PolarHBondContact O-OG 2.8Å; H320-S323 VanDerWaalsContact O-OG 3.08Å; S323-Y325 PolarHBondContact O-N 3.13Å
324	S	32.1	Very low	50	Low	106 Å²	106	89 Å²	89	74%	0.741	50%	0.5	S	S	*	.			trans	-79.1	0.5	-178.4	-166.4	0	0	0	0	114.6	S322	S322-S324 PolarHBondContact O-N 3.34Å
325	Y	33.9	Very low	48	Very low	226 Å²	226	90.7 Å²	90.7	89%	0.886	52%	0.516	S	S	*	.	S	Bend	trans	-120.5	128.3	163	-78.6	-91.8	0	0	0	107.5	S323	S323-Y325 PolarHBondContact O-N 3.13Å
326	G	27.5	Very low	47	Very low	67 Å²	67	94.3 Å²	94.3	69%	0.691	53%	0.533	S	S	*	.			trans	-86.6	162.4	-157.3	0	0	0	0	0	116.6	A328	G326-A328 PolarHBondContact O-N 2.93Å
327	N	34.8	Very low	46.8	Very low	179 Å²	179	91.9 Å²	91.9	96%	0.957	52%	0.522	S	S	*	.	S	Bend	trans	55.1	38.1	155	-63.1	0.6	0	0	0	118.4
328	A	31	Very low	47	Very low	77 Å²	77	89.4 Å²	89.4	64%	0.636	51%	0.507	S	S	*	.			trans	-148.2	151.4	149.9	0	0	0	0	0	110.2	G326 P330	G326-A328 PolarHBondContact O-N 2.93Å; A328-P330 VanDerWaalsContact O-CD 3.29Å; A328-P330 WeakPolarHBondContact O-CD 2.98Å
329	I	43.8	Very low	47.8	Very low	158 Å²	158	89.2 Å²	89.2	81%	0.81	51%	0.506	S	S	*	.			trans	-72.5	116.6	152.9	-62.7	171	0	0	0	104.9
330	P	34.6	Very low	49.3	Very low	87 Å²	87	87.3 Å²	87.3	57%	0.565	50%	0.497	S	S	*	.			trans	-76.6	132.5	174.4	-9	27.1	0	0	0	108.5	A328 N332 G333	A328-P330 VanDerWaalsContact O-CD 3.29Å; A328-P330 WeakPolarHBondContact O-CD 2.98Å; P330-N332 HydrophobicContact CB-CB 4.47Å; P330-N332 PolarHBondContact O-N 2.68Å; P330-G333 PolarHBondContact O-N 3.14Å
331	D	37.1	Very low	51.5	Low	167 Å²	167	82 Å²	82	89%	0.893	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	9.4	175.3	-63.5	-63.9	0	0	0	114.7
332	N	36.1	Very low	53.7	Low	108 Å²	108	74.5 Å²	74.5	58%	0.578	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6	-176.1	-64.5	-32.6	0	0	0	114.1	Q99 P330 I334	Q99-N332 VanDerWaalsContact CD-O 3.25Å; Q99-N332 PolarHBondContact NE2-O 2.02Å; Q99-N332 PolarHBondContact OE1-O 3.46Å; P330-N332 HydrophobicContact CB-CB 4.47Å; P330-N332 PolarHBondContact O-N 2.68Å; N332-I334 WeakPolarHBondContact O-CG1 3.39Å; N332-I334 PolarHBondContact O-N 2.83Å
333	G	40.8	Very low	56.1	Low	43 Å²	43	71.7 Å²	71.7	44%	0.443	43%	0.425	S	S	.	.			trans	62.3	11.4	157.6	0	0	0	0	0	121	P330	P330-G333 PolarHBondContact O-N 3.14Å
334	I	37.1	Very low	58.7	Low	68 Å²	68	68.1 Å²	68.1	35%	0.349	40%	0.399	S	S	.	.			trans	-80.2	-19.4	-170	-47.3	-166.7	0	0	0	114.5	Q99 N332	Q99-I334 HydrophobicContact CB-CB 4.48Å; Q99-I334 HydrophobicContact CB-CD1 3.96Å; Q99-I334 HydrophobicContact CB-CG1 3.81Å; Q99-I334 HydrophobicContact CB-CG2 4.27Å; Q99-I334 HydrophobicContact CG-CD1 3.86Å; Q99-I334 HydrophobicContact CG-CG1 3.92Å; N332-I334 WeakPolarHBondContact O-CG1 3.39Å; N332-I334 PolarHBondContact O-N 2.83Å
335	A	47.7	Very low	61.1	Low	43 Å²	43	66 Å²	66	36%	0.355	38%	0.375	S	S	.	.	S	Bend	trans	-124.8	22.5	-154.7	0	0	0	0	0	116.7	S322	S322-A335 VanDerWaalsContact CB-CB 3.49Å
336	H	66.8	Low	63.4	Low	80 Å²	80	57.3 Å²	57.3	37%	0.37	34%	0.341	S	S	.	.			trans	-115.6	150.4	173.3	-164.3	-97.1	0	0	0	111.7	E239 T286 Q319 D338	E239-H336 IonicContact OE2-CE1 3.91Å; E239-H336 IonicContact OE2-CG 3.6Å; E239-H336 IonicContact OE2-ND1 2.85Å; E239-H336 PolarHBondContact OE2-ND1 2.77Å; T286-H336 PolarHBondContact OG1-O 3.12Å; Q319-H336 PolarHBondContact NE2-NE2 2.8Å; H336-D338 IonicContact CE1-OD1 2.74Å; H336-D338 PolarHBondContact CE1-OD1 2.91Å; H336-D338 IonicContact ND1-OD1 2.69Å
337	H	80	Confident	65.7	Low	8 Å²	8	56.2 Å²	56.2	4%	0.037	32%	0.319	C	S	.	.			trans	-148.3	138.2	166.2	64.4	-99.7	0	0	0	108.1	E239 L241 Q315	E239-H337 CarbonylContact O-C 3.22Å; E239-H337 WeakPolarHBondContact O-CA 3.28Å; E239-H337 WeakPolarHBondContact O-CB 3.36Å; L241-H337 HydrophobicContact CB-CB 3.92Å; Q315-H337 PolarHBondContact OE1-NE2 2.85Å
338	D	86.6	Confident	67.7	Low	10 Å²	10	47.7 Å²	47.7	5%	0.053	27%	0.274	C	S	.	.	S	Bend	trans	-78	-35.5	175.1	-58.2	-58.4	0	0	0	110.7	E239 H336 S373 L451	E239-D338 WeakPolarHBondContact CB-OD2 3.45Å; E239-D338 PolarHBondContact N-OD2 2.76Å; E239-D338 PolarHBondContact O-N 2.81Å; H336-D338 IonicContact CE1-OD1 2.74Å; H336-D338 PolarHBondContact CE1-OD1 2.91Å; H336-D338 IonicContact ND1-OD1 2.69Å; D338-S373 WeakPolarHBondContact O-CB 3.31Å; D338-S373 PolarHBondContact O-OG 3.21Å; D338-L451 HydrophobicContact CB-CD2 3.77Å
339	T	91.7	Very high	70	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.2	-178.1	-166.9	0	0	0	0	112.7	V238 E239 T240 L241 M367 S373	V238-T339 HydrophobicContact CG1-CG2 3.59Å; E239-T339 PolarHBondContact O-N 2.91Å; T240-T339 WeakPolarHBondContact CA-O 3.48Å; T240-T339 HydrophobicContact CG2-CG2 4.2Å; L241-T339 PolarHBondContact N-O 3.08Å; T339-M367 HydrophobicContact CG2-CE 4.49Å; T339-M367 HydrophobicContact CG2-SD 4.27Å; T339-S373 WeakPolarHBondContact CA-OG 3.47Å; T339-S373 VanDerWaalsContact CB-OG 3.24Å; T339-S373 WeakPolarHBondContact CB-OG 2.99Å; T339-S373 PolarHBondContact OG1-OG 3.38Å
340	A	93.6	Very high	71	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.3	178.6	0	0	0	0	0	112.3	L241 F311 Q315 S373 C374 S375	L241-A340 HydrophobicContact CB-CB 4.32Å; L241-A340 HydrophobicContact CD2-CB 4.23Å; L241-A340 HydrophobicContact CG-CB 4.46Å; L241-A340 CarbonylContact O-C 3.59Å; L241-A340 WeakPolarHBondContact O-CA 3.07Å; F311-A340 HydrophobicContact CE1-CB 3.83Å; F311-A340 HydrophobicContact CZ-CB 3.79Å; Q315-A340 HydrophobicContact CB-CB 3.81Å; Q315-A340 HydrophobicContact CG-CB 3.79Å; A340-S373 PolarHBondContact N-O 2.95Å; A340-S373 VanDerWaalsContact N-O 3.17Å; A340-C374 CarbonylContact O-C 3.51Å; A340-C374 VanDerWaalsContact O-CA 3.31Å; A340-C374 WeakPolarHBondContact O-CA 3.26Å; A340-S375 PolarHBondContact O-N 3.34Å
341	V	96.2	Very high	72	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.3	-178.6	178.4	0	0	0	0	109.4	T240 L241 V243 I343 I388 I392	T240-V341 HydrophobicContact CG2-CG2 3.83Å; L241-V341 PolarHBondContact O-N 3.02Å; V243-V341 PolarHBondContact N-O 2.83Å; V341-I343 HydrophobicContact CG1-CG1 4.18Å; V341-I388 HydrophobicContact CG1-CD1 4.05Å; V341-I388 HydrophobicContact CG1-CG1 3.92Å; V341-I388 HydrophobicContact CG1-CG2 3.92Å; V341-I388 HydrophobicContact CG2-CG2 4.22Å; V341-I392 HydrophobicContact CG2-CD1 4.28Å
342	L	96.5	Very high	72.7	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.8	168.4	179.7	64.9	0	0	0	110.2	V243 I300 F311 S375 I376 N377	V243-L342 HydrophobicContact CB-CD1 4.09Å; V243-L342 HydrophobicContact CG1-CD1 3.97Å; V243-L342 CarbonylContact O-C 3.52Å; V243-L342 WeakPolarHBondContact O-CA 2.98Å; I300-L342 HydrophobicContact CD1-CD1 4.06Å; I300-L342 HydrophobicContact CD1-CD2 3.96Å; I300-L342 HydrophobicContact CG1-CD2 4.14Å; I300-L342 HydrophobicContact CG2-CD2 4.38Å; F311-L342 HydrophobicContact CB-CD2 4.3Å; F311-L342 HydrophobicContact CD1-CB 3.78Å; F311-L342 HydrophobicContact CD2-CB 4.01Å; F311-L342 HydrophobicContact CD2-CD1 4.45Å; F311-L342 HydrophobicContact CD2-CD2 4.17Å; F311-L342 HydrophobicContact CD2-CG 4.44Å; F311-L342 HydrophobicContact CE1-CB 3.65Å; F311-L342 HydrophobicContact CE2-CB 3.89Å; F311-L342 HydrophobicContact CE2-CD1 4.34Å; F311-L342 HydrophobicContact CG-CB 3.97Å; F311-L342 HydrophobicContact CG-CD2 4.13Å; F311-L342 HydrophobicContact CZ-CB 3.7Å; L342-S375 PolarHBondContact N-O 3.27Å; L342-I376 HydrophobicContact CB-CB 4.46Å; L342-I376 HydrophobicContact CB-CG2 4.09Å; L342-I376 HydrophobicContact CD2-CB 4.44Å; L342-I376 HydrophobicContact CD2-CG2 3.87Å; L342-I376 CarbonylContact O-C 3.46Å; L342-N377 WeakPolarHBondContact O-CB 3.49Å; L342-N377 PolarHBondContact O-N 2.8Å; L342-N377 PolarHBondContact O-ND2 3Å
343	I	93.9	Very high	73.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.6	172.8	-49.1	178.1	0	0	0	108.6	V242 V243 A244 D245 M248 I261 V341 N377 D379 T384 I388	V242-I343 HydrophobicContact CG1-CD1 3.94Å; V242-I343 HydrophobicContact CG1-CG1 4.48Å; V243-I343 PolarHBondContact O-N 3.18Å; A244-I343 WeakPolarHBondContact CA-O 3.33Å; D245-I343 PolarHBondContact N-O 2.79Å; M248-I343 HydrophobicContact CE-CB 4.42Å; M248-I343 HydrophobicContact CE-CG2 3.6Å; M248-I343 HydrophobicContact CG-CG2 4.29Å; M248-I343 WeakPolarHBondContact CG-O 3.44Å; M248-I343 HydrophobicContact SD-CG2 3.83Å; I261-I343 HydrophobicContact CG1-CD1 4.47Å; I261-I343 HydrophobicContact CG2-CD1 4.24Å; V341-I343 HydrophobicContact CG1-CG1 4.18Å; I343-N377 WeakPolarHBondContact CA-O 3.21Å; I343-D379 HydrophobicContact CG2-CB 3.82Å; I343-T384 HydrophobicContact CG2-CG2 4.27Å; I343-I388 HydrophobicContact CD1-CD1 3.83Å; I343-I388 HydrophobicContact CG1-CD1 4.14Å
344	T	90.7	Very high	73.8	Confident	2 Å²	2	49 Å²	49	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.3	-173.8	179.8	0	0	0	0	112.7	D245 Y346 I348 N377 E378 D379	D245-T344 WeakPolarHBondContact OD2-CB 3.19Å; D245-T344 PolarHBondContact OD2-OG1 2.85Å; T344-Y346 WeakPolarHBondContact OG1-CD2 3.41Å; T344-Y346 PolarHBondContact OG1-N 3.32Å; T344-I348 HydrophobicContact CG2-CG2 4.34Å; T344-N377 WeakPolarHBondContact CG2-O 3.05Å; T344-N377 PolarHBondContact N-O 2.86Å; T344-E378 CarbonylContact O-C 2.94Å; T344-E378 WeakPolarHBondContact O-CA 3.42Å; T344-D379 PolarHBondContact O-N 2.04Å
345	R	82.1	Confident	74.5	Confident	61 Å²	61	49.8 Å²	49.8	23%	0.23	24%	0.244	C	C	.	.			trans	-104.6	17.9	165.6	-67.7	-75.5	-79.6	167.4	-7.7	112.7	M247 M248 Y251 D379	M247-R345 HydrophobicContact CB-CB 3.95Å; M248-R345 HydrophobicContact CG-CG 4.45Å; M248-R345 HydrophobicContact SD-CG 3.7Å; Y251-R345 HydrophobicContact CD1-CG 4.41Å; Y251-R345 HydrophobicContact CG-CG 4.42Å; Y251-R345 PolarHBondContact OH-NH2 3.36Å; R345-D379 WeakPolarHBondContact CD-O 3.24Å; R345-D379 HydrophobicContact CG-CB 4.28Å; R345-D379 PolarHBondContact NH1-O 2.63Å
346	Y	83.1	Confident	75	Confident	44 Å²	44	49.6 Å²	49.6	17%	0.173	24%	0.24	C	C	.	.	S	Bend	trans	-70.4	138.5	160.3	-79.9	-77.9	0	0	0	109.9	D245 M247 I300 H302 T344 I348	D245-Y346 WeakPolarHBondContact OD2-CD2 3.35Å; M247-Y346 HydrophobicContact CG-CD2 4.02Å; M247-Y346 HydrophobicContact CG-CE2 3.65Å; I300-Y346 HydrophobicContact CB-CD2 4.46Å; I300-Y346 HydrophobicContact CB-CE2 4.42Å; I300-Y346 HydrophobicContact CG2-CD2 3.66Å; I300-Y346 HydrophobicContact CG2-CE2 4.1Å; H302-Y346 AromaticContact CE1-CD1 3.93Å; H302-Y346 AromaticContact NE2-CD1 3.74Å; T344-Y346 WeakPolarHBondContact OG1-CD2 3.41Å; T344-Y346 PolarHBondContact OG1-N 3.32Å; Y346-I348 WeakPolarHBondContact O-CG2 3.47Å; Y346-I348 PolarHBondContact O-N 2.93Å
347	D	75.2	Confident	74.9	Confident	43 Å²	43	51.3 Å²	51.3	23%	0.23	25%	0.248	C	C	.	.			trans	-77.1	100	176.3	-155.5	-63.6	0	0	0	108.3	R194 H302 C349 C356 E378	R194-D347 IonicContact CZ-OD2 2.92Å; R194-D347 VanDerWaalsContact NH1-CG 3.34Å; R194-D347 IonicContact NH1-OD1 3.29Å; R194-D347 IonicContact NH1-OD2 2.68Å; R194-D347 PolarHBondContact NH1-OD2 2.85Å; R194-D347 IonicContact NH2-OD1 4Å; R194-D347 IonicContact NH2-OD2 2.74Å; R194-D347 PolarHBondContact NH2-OD2 2.94Å; H302-D347 WeakPolarHBondContact CB-O 3.16Å; H302-D347 PolarHBondContact ND1-O 2.86Å; D347-C349 PolarHBondContact O-SG 3.25Å; D347-C356 WeakPolarHBondContact OD1-CB 3.29Å; D347-E378 WeakPolarHBondContact CA-OE2 3.39Å
348	I	78.2	Confident	74.4	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.247	C	C	.	.			trans	-93.3	140.9	-166.4	70.5	179.8	0	0	0	113.2	A304 T344 Y346 T358 I376 E378	A304-I348 HydrophobicContact CB-CB 4.24Å; T344-I348 HydrophobicContact CG2-CG2 4.34Å; Y346-I348 WeakPolarHBondContact O-CG2 3.47Å; Y346-I348 PolarHBondContact O-N 2.93Å; I348-T358 HydrophobicContact CG1-CG2 4.37Å; I348-T358 WeakPolarHBondContact CG1-O 3.48Å; I348-T358 WeakPolarHBondContact O-CB 3.21Å; I348-I376 HydrophobicContact CD1-CD1 4.12Å; I348-I376 HydrophobicContact CD1-CG1 4.27Å; I348-E378 HydrophobicContact CD1-CB 4.45Å; I348-E378 HydrophobicContact CG1-CB 4.26Å; I348-E378 PolarHBondContact N-OE2 2.89Å
349	C	77.6	Confident	74	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-138	136.3	-171	-22.1	0	0	0	0	110.1	H302 A304 D347 C356	H302-C349 PolarHBondContact O-N 2.58Å; H302-C349 PolarHBondContact O-SG 3.12Å; A304-C349 PolarHBondContact N-O 2.87Å; D347-C349 PolarHBondContact O-SG 3.25Å; C349-C356 HydrophobicContact CB-CB 3.83Å; C349-C356 WeakPolarHBondContact CB-SG 3.33Å; C349-C356 WeakPolarHBondContact SG-CB 3.44Å; C349-C356 CovalentContact SG-SG 2.03Å; C349-C356 PolarHBondContact SG-SG 3.34Å
350	I	64.6	Low	73.7	Confident	46 Å²	46	50.9 Å²	50.9	24%	0.236	25%	0.246	C	C	.	.	S	Bend	trans	-70.1	-33.8	179.9	-66.1	156.7	0	0	0	112	V198 I199 T358	V198-I350 WeakPolarHBondContact O-CD1 3.48Å; I199-I350 HydrophobicContact CG1-CG2 3.95Å; I350-T358 HydrophobicContact CD1-CG2 4.09Å; I350-T358 VanDerWaalsContact CD1-OG1 3.31Å; I350-T358 WeakPolarHBondContact CD1-OG1 3.01Å; I350-T358 HydrophobicContact CG1-CG2 3.92Å; I350-T358 WeakPolarHBondContact CG1-OG1 3.35Å
351	Q	56	Low	73.3	Confident	147 Å²	147	51 Å²	51	69%	0.687	25%	0.246	S	C	*	.	S	Bend	trans	-129.6	135.6	179	-56.9	-168.6	17.3	0	0	111.5	N353 K354	Q351-N353 PolarHBondContact O-N 3.26Å; Q351-K354 PolarHBondContact O-N 3Å
352	K	51.3	Low	72.9	Confident	186 Å²	186	51.3 Å²	51.3	81%	0.809	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	2.9	73.6	174.4	-69.3	-174.1	176.3	-179.4	0	116	K354	K352-K354 PolarHBondContact O-N 3.29Å
353	N	52.5	Low	72.3	Confident	107 Å²	107	52.3 Å²	52.3	57%	0.572	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	-0.3	169.3	-54.9	1.2	0	0	0	118	Q351 C356	Q351-N353 PolarHBondContact O-N 3.26Å; N353-C356 VanDerWaalsContact C-SG 3.55Å; N353-C356 PolarHBondContact O-SG 2.05Å
354	K	48.2	Very low	71.9	Confident	179 Å²	179	54.6 Å²	54.6	78%	0.778	27%	0.27	S	S	*	.			trans	-159	146.9	168.3	-70.4	-162.9	179.2	-179.4	0	112.3	Q351 K352	Q351-K354 PolarHBondContact O-N 3Å; K352-K354 PolarHBondContact O-N 3.29Å
355	P	51	Low	71.4	Confident	86 Å²	86	55.1 Å²	55.1	56%	0.558	28%	0.275	S	S	*	.			cis	-71.6	150.6	-15.1	31.6	-34.3	0	0	0	111	E357	P355-E357 HydrophobicContact CB-CG 4.29Å
356	C	59.5	Low	71.4	Confident	39 Å²	39	52.2 Å²	52.2	26%	0.264	26%	0.264	S	S	.	.			trans	-109.6	73.7	176.5	-51.4	0	0	0	0	107.6	D347 C349 N353	D347-C356 WeakPolarHBondContact OD1-CB 3.29Å; C349-C356 HydrophobicContact CB-CB 3.83Å; C349-C356 WeakPolarHBondContact CB-SG 3.33Å; C349-C356 WeakPolarHBondContact SG-CB 3.44Å; C349-C356 CovalentContact SG-SG 2.03Å; C349-C356 PolarHBondContact SG-SG 3.34Å; N353-C356 VanDerWaalsContact C-SG 3.55Å; N353-C356 PolarHBondContact O-SG 2.05Å
357	E	65.4	Low	71.6	Confident	116 Å²	116	50.1 Å²	50.1	54%	0.542	26%	0.256	S	S	.	.			trans	-118.1	44	179.8	-67	172.3	-166	0	0	107.6	S195 C196 G197 P355	S195-E357 CarbonylContact O-C 3.58Å; S195-E357 VanDerWaalsContact O-C 3.25Å; C196-E357 CarbonylContact C-O 3.58Å; C196-E357 WeakPolarHBondContact CA-O 3.45Å; G197-E357 PolarHBondContact N-O 2.86Å; P355-E357 HydrophobicContact CB-CG 4.29Å
358	T	69.5	Low	72.1	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.025	26%	0.256	C	S	.	.			trans	-133.9	117.9	-171.6	-56	0	0	0	0	107.9	I348 I350 G360	I348-T358 HydrophobicContact CG1-CG2 4.37Å; I348-T358 WeakPolarHBondContact CG1-O 3.48Å; I348-T358 WeakPolarHBondContact O-CB 3.21Å; I350-T358 HydrophobicContact CD1-CG2 4.09Å; I350-T358 VanDerWaalsContact CD1-OG1 3.31Å; I350-T358 WeakPolarHBondContact CD1-OG1 3.01Å; I350-T358 HydrophobicContact CG1-CG2 3.92Å; I350-T358 WeakPolarHBondContact CG1-OG1 3.35Å; T358-G360 VanDerWaalsContact CG2-O 3.24Å; T358-G360 WeakPolarHBondContact CG2-O 3.26Å
359	L	77.5	Confident	72.3	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.274	C	S	.	.			trans	-102.9	-16.6	177.6	-51	-178.1	0	0	0	112.8	S195 C196 N377 E378 I380 T387	S195-L359 VanDerWaalsContact O-CD2 3.31Å; S195-L359 WeakPolarHBondContact O-CD2 3.46Å; S195-L359 VanDerWaalsContact O-CG 3.22Å; S195-L359 WeakPolarHBondContact O-CG 3.07Å; C196-L359 HydrophobicContact CB-CB 4.44Å; C196-L359 HydrophobicContact CB-CG 4.37Å; C196-L359 WeakPolarHBondContact SG-CD1 3.45Å; C196-L359 VanDerWaalsContact SG-CG 3.52Å; L359-N377 CarbonylContact O-C 3.53Å; L359-N377 VanDerWaalsContact O-CA 3.24Å; L359-N377 WeakPolarHBondContact O-CA 3.35Å; L359-E378 HydrophobicContact CB-CB 4.43Å; L359-E378 HydrophobicContact CD2-CB 4.19Å; L359-E378 HydrophobicContact CD2-CG 4.32Å; L359-E378 PolarHBondContact O-N 2.9Å; L359-I380 HydrophobicContact CD1-CB 4.42Å; L359-I380 HydrophobicContact CD1-CD1 3.5Å; L359-I380 VanDerWaalsContact CD1-CD1 3.5Å; L359-I380 HydrophobicContact CD1-CG1 3.76Å; L359-I380 HydrophobicContact CD1-CG2 3.96Å; L359-I380 HydrophobicContact CD2-CG2 3.81Å; L359-I380 HydrophobicContact CG-CG2 4.46Å; L359-T387 HydrophobicContact CB-CG2 3.88Å; L359-T387 WeakPolarHBondContact O-CG2 3.34Å
360	G	84.3	Confident	72.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.1	-174.8	0	0	0	0	0	111.3	G197 T358 I376 E391	G197-G360 VanDerWaalsContact O-O 3.11Å; T358-G360 VanDerWaalsContact CG2-O 3.24Å; T358-G360 WeakPolarHBondContact CG2-O 3.26Å; G360-I376 CarbonylContact C-O 3.55Å; G360-I376 VanDerWaalsContact CA-O 3.31Å; G360-I376 WeakPolarHBondContact CA-O 3.36Å; G360-E391 VanDerWaalsContact CA-OE1 3.29Å; G360-E391 WeakPolarHBondContact CA-OE1 3.41Å
361	L	86	Confident	72.9	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	131.1	164.2	-171.8	70.9	0	0	0	111.8	I199 A304 L308 S375 I376 E391	I199-L361 HydrophobicContact CB-CD1 3.92Å; I199-L361 HydrophobicContact CD1-CD1 4.38Å; I199-L361 HydrophobicContact CD1-CD2 3.58Å; I199-L361 HydrophobicContact CG1-CD1 3.76Å; I199-L361 HydrophobicContact CG1-CD2 3.91Å; I199-L361 HydrophobicContact CG1-CG 4.49Å; I199-L361 VanDerWaalsContact N-CD1 3.29Å; A304-L361 HydrophobicContact CB-CD2 4Å; L308-L361 HydrophobicContact CB-CD2 4.18Å; L308-L361 HydrophobicContact CD2-CB 4.46Å; L308-L361 HydrophobicContact CD2-CD2 3.7Å; L308-L361 HydrophobicContact CD2-CG 3.75Å; L361-S375 WeakPolarHBondContact O-CA 3.47Å; L361-I376 HydrophobicContact CB-CD1 4.37Å; L361-I376 HydrophobicContact CB-CG1 3.93Å; L361-I376 PolarHBondContact N-O 3.32Å; L361-I376 PolarHBondContact O-N 2.85Å; L361-E391 WeakPolarHBondContact CA-OE2 3.49Å; L361-E391 VanDerWaalsContact N-CD 3.28Å; L361-E391 PolarHBondContact N-OE2 2.93Å
362	A	88.1	Confident	74.2	Confident	7 Å²	7	57.2 Å²	57.2	6%	0.058	29%	0.293	C	S	.	.			trans	-144.5	157.7	173.2	0	0	0	0	0	113.7	C374 E391 H394 T395	A362-C374 WeakPolarHBondContact CB-O 3.26Å; A362-E391 HydrophobicContact CB-CB 3.93Å; A362-E391 WeakPolarHBondContact CB-O 3.21Å; A362-E391 WeakPolarHBondContact CB-OE2 3.4Å; A362-E391 PolarHBondContact N-OE2 3.04Å; A362-H394 HydrophobicContact CB-CB 4.29Å; A362-T395 HydrophobicContact CB-CG2 4.05Å
363	P	84.6	Confident	76.1	Confident	23 Å²	23	48.5 Å²	48.5	15%	0.149	26%	0.255	C	S	.	.			trans	-76.7	129.1	173.9	-16.1	33	0	0	0	112.9	L308 G365 G366 R372 C374	L308-P363 HydrophobicContact CD2-CG 4.22Å; P363-G365 PolarHBondContact O-N 3.47Å; P363-G366 PolarHBondContact O-N 2.86Å; P363-R372 HydrophobicContact CB-CB 4.08Å; P363-R372 HydrophobicContact CB-CG 4.45Å; P363-R372 WeakPolarHBondContact CD-O 3.41Å; P363-R372 HydrophobicContact CG-CB 4.21Å; P363-R372 VanDerWaalsContact CG-O 3.31Å; P363-R372 WeakPolarHBondContact CG-O 3.03Å; P363-C374 WeakPolarHBondContact CD-O 3.23Å
364	V	83.6	Confident	78	Confident	49 Å²	49	43.4 Å²	43.4	30%	0.297	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	126.9	178.1	-174.9	0	0	0	0	111.6	G366 R372 H394	V364-G366 VanDerWaalsContact C-N 3.33Å; V364-G366 PolarHBondContact O-N 2.91Å; V364-R372 PolarHBondContact O-NH2 2.86Å; V364-H394 CarbonylContact C-O 3.56Å; V364-H394 VanDerWaalsContact CA-O 3.28Å; V364-H394 WeakPolarHBondContact CA-O 3.22Å; V364-H394 HydrophobicContact CG2-CB 4.45Å
365	G	80.8	Confident	80.2	Confident	12 Å²	12	34.9 Å²	34.9	12%	0.124	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	6.4	177.4	0	0	0	0	0	115.7	P363 M367 H394 T395	P363-G365 PolarHBondContact O-N 3.47Å; G365-M367 VanDerWaalsContact C-N 3.31Å; G365-M367 PolarHBondContact O-N 3.43Å; G365-H394 PolarHBondContact N-O 3.25Å; G365-T395 CarbonylContact C-O 3.57Å; G365-T395 VanDerWaalsContact CA-O 3.24Å; G365-T395 WeakPolarHBondContact CA-O 3.03Å
366	G	82.3	Confident	82.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.			trans	-72.7	-3.8	-172	0	0	0	0	0	117.5	P363 V364 C368 E369 S373 T395	P363-G366 PolarHBondContact O-N 2.86Å; V364-G366 VanDerWaalsContact C-N 3.33Å; V364-G366 PolarHBondContact O-N 2.91Å; G366-C368 PolarHBondContact O-N 2.73Å; G366-C368 VanDerWaalsContact O-N 3.15Å; G366-E369 PolarHBondContact O-N 3.13Å; G366-S373 WeakPolarHBondContact O-CA 3.43Å; G366-S373 VanDerWaalsContact O-CB 3.23Å; G366-S373 WeakPolarHBondContact O-CB 3.41Å; G366-S373 PolarHBondContact O-N 2.73Å; G366-T395 PolarHBondContact N-O 3.49Å; G366-T395 VanDerWaalsContact N-O 3.15Å
367	M	87.9	Confident	83.8	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.2	-163	178.1	61	89.2	0	0	116.2	V238 T339 G365 S373 I392 T395 F396 F442 L451	V238-M367 HydrophobicContact CG1-CE 3.7Å; V238-M367 HydrophobicContact CG1-SD 4Å; V238-M367 HydrophobicContact CG2-CE 4.22Å; T339-M367 HydrophobicContact CG2-CE 4.49Å; T339-M367 HydrophobicContact CG2-SD 4.27Å; G365-M367 VanDerWaalsContact C-N 3.31Å; G365-M367 PolarHBondContact O-N 3.43Å; M367-S373 WeakPolarHBondContact CA-OG 3.47Å; M367-S373 WeakPolarHBondContact O-CB 3.47Å; M367-S373 PolarHBondContact O-OG 2.83Å; M367-I392 HydrophobicContact CE-CG2 3.81Å; M367-T395 VanDerWaalsContact CB-O 3.23Å; M367-T395 WeakPolarHBondContact CB-O 3.34Å; M367-T395 WeakPolarHBondContact CE-OG1 2.98Å; M367-T395 PolarHBondContact N-O 3.46Å; M367-F396 HydrophobicContact CE-CD1 4.47Å; M367-F396 HydrophobicContact CE-CD2 3.83Å; M367-F396 HydrophobicContact CE-CE1 4.19Å; M367-F396 HydrophobicContact CE-CE2 3.49Å; M367-F396 VanDerWaalsContact CE-CE2 3.49Å; M367-F396 HydrophobicContact CE-CG 4.31Å; M367-F396 HydrophobicContact CE-CZ 3.69Å; M367-F396 HydrophobicContact CG-CE1 4.38Å; M367-F442 HydrophobicContact CB-CE1 4.08Å; M367-F442 HydrophobicContact CB-CZ 3.95Å; M367-L451 HydrophobicContact CG-CD1 3.94Å; M367-L451 HydrophobicContact CG-CD2 3.94Å; M367-L451 HydrophobicContact CG-CG 4.32Å; M367-L451 HydrophobicContact SD-CD2 4.09Å
368	C	84.8	Confident	84.8	Confident	35 Å²	35	23.7 Å²	23.7	24%	0.236	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	21.5	175.3	-61.9	0	0	0	0	112.9	G366 L447 C450	G366-C368 PolarHBondContact O-N 2.73Å; G366-C368 VanDerWaalsContact O-N 3.15Å; C368-L447 VanDerWaalsContact CB-O 3.29Å; C368-L447 WeakPolarHBondContact CB-O 3.28Å; C368-L447 PolarHBondContact SG-O 3.49Å; C368-C450 VanDerWaalsContact CA-SG 3.54Å; C368-C450 HydrophobicContact CB-CB 3.89Å; C368-C450 WeakPolarHBondContact CB-SG 3.4Å; C368-C450 WeakPolarHBondContact SG-CB 3.44Å; C368-C450 PolarHBondContact SG-N 2.94Å; C368-C450 CovalentContact SG-SG 2.04Å; C368-C450 PolarHBondContact SG-SG 2.83Å
369	E	82.3	Confident	85.3	Confident	81 Å²	81	23.5 Å²	23.5	38%	0.379	13%	0.126	S	C	.	.			trans	-106.3	105.2	172.4	-67.5	-176.6	-162.3	0	0	109.2	G366 E371 R372 S373	G366-E369 PolarHBondContact O-N 3.13Å; E369-E371 PolarHBondContact O-N 2.92Å; E369-R372 HydrophobicContact CB-CB 4.17Å; E369-R372 VanDerWaalsContact CD-NH1 3.31Å; E369-R372 CarbonylContact O-C 3.55Å; E369-R372 PolarHBondContact O-N 3.34Å; E369-R372 IonicContact OE1-NH1 3.58Å; E369-R372 PolarHBondContact OE1-NH1 3.29Å; E369-R372 WeakPolarHBondContact OE2-CD 3.49Å; E369-R372 IonicContact OE2-CZ 3.41Å; E369-R372 IonicContact OE2-NE 2.77Å; E369-R372 IonicContact OE2-NH1 3.69Å; E369-R372 PolarHBondContact OE2-NH1 3.37Å; E369-S373 PolarHBondContact O-N 2.82Å
370	P	77.6	Confident	85	Confident	68 Å²	68	23.5 Å²	23.5	44%	0.442	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-10.8	-172.4	-27.8	36.2	0	0	0	116.4	Q315	Q315-P370 PolarHBondContact NE2-O 3.19Å
371	E	78.8	Confident	84.3	Confident	122 Å²	122	23.5 Å²	23.5	57%	0.57	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.5	174.8	-45.6	-158.6	137.9	0	0	113.3	K316 E369	K316-E371 HydrophobicContact CD-CG 4.25Å; K316-E371 IonicContact NZ-OE1 2.85Å; K316-E371 PolarHBondContact NZ-OE1 3.02Å; E369-E371 PolarHBondContact O-N 2.92Å
372	R	83.3	Confident	83.5	Confident	81 Å²	81	24 Å²	24	31%	0.306	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.7	-3.1	-171.7	-70.2	178.8	63	-119.2	-2.2	114.2	P363 V364 E369 C374	P363-R372 HydrophobicContact CB-CB 4.08Å; P363-R372 HydrophobicContact CB-CG 4.45Å; P363-R372 WeakPolarHBondContact CD-O 3.41Å; P363-R372 HydrophobicContact CG-CB 4.21Å; P363-R372 VanDerWaalsContact CG-O 3.31Å; P363-R372 WeakPolarHBondContact CG-O 3.03Å; V364-R372 PolarHBondContact O-NH2 2.86Å; E369-R372 HydrophobicContact CB-CB 4.17Å; E369-R372 VanDerWaalsContact CD-NH1 3.31Å; E369-R372 CarbonylContact O-C 3.55Å; E369-R372 PolarHBondContact O-N 3.34Å; E369-R372 IonicContact OE1-NH1 3.58Å; E369-R372 PolarHBondContact OE1-NH1 3.29Å; E369-R372 WeakPolarHBondContact OE2-CD 3.49Å; E369-R372 IonicContact OE2-CZ 3.41Å; E369-R372 IonicContact OE2-NE 2.77Å; E369-R372 IonicContact OE2-NH1 3.69Å; E369-R372 PolarHBondContact OE2-NH1 3.37Å; R372-C374 VanDerWaalsContact C-N 3.32Å; R372-C374 PolarHBondContact O-N 2.62Å; R372-C374 PolarHBondContact O-SG 3.03Å
373	S	90.1	Very high	82.5	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.014	13%	0.127	C	C	.	.			trans	-82.6	74.7	173.5	-157.8	0	0	0	0	112	D338 T339 A340 G366 M367 E369	D338-S373 WeakPolarHBondContact O-CB 3.31Å; D338-S373 PolarHBondContact O-OG 3.21Å; T339-S373 WeakPolarHBondContact CA-OG 3.47Å; T339-S373 VanDerWaalsContact CB-OG 3.24Å; T339-S373 WeakPolarHBondContact CB-OG 2.99Å; T339-S373 PolarHBondContact OG1-OG 3.38Å; A340-S373 PolarHBondContact N-O 2.95Å; A340-S373 VanDerWaalsContact N-O 3.17Å; G366-S373 WeakPolarHBondContact O-CA 3.43Å; G366-S373 VanDerWaalsContact O-CB 3.23Å; G366-S373 WeakPolarHBondContact O-CB 3.41Å; G366-S373 PolarHBondContact O-N 2.73Å; M367-S373 WeakPolarHBondContact CA-OG 3.47Å; M367-S373 WeakPolarHBondContact O-CB 3.47Å; M367-S373 PolarHBondContact O-OG 2.83Å; E369-S373 PolarHBondContact O-N 2.82Å
374	C	93.1	Very high	82.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	143.7	-169.7	41.9	0	0	0	0	111.1	L308 F311 C312 A340 A362 P363 R372	L308-C374 HydrophobicContact CD1-CB 4.27Å; F311-C374 HydrophobicContact CD1-CB 4.26Å; F311-C374 HydrophobicContact CE1-CB 4.49Å; C312-C374 HydrophobicContact CB-CB 3.94Å; C312-C374 WeakPolarHBondContact CB-SG 3.29Å; C312-C374 WeakPolarHBondContact SG-CB 3.29Å; C312-C374 CovalentContact SG-SG 2.02Å; C312-C374 PolarHBondContact SG-SG 3.27Å; A340-C374 CarbonylContact O-C 3.51Å; A340-C374 VanDerWaalsContact O-CA 3.31Å; A340-C374 WeakPolarHBondContact O-CA 3.26Å; A362-C374 WeakPolarHBondContact CB-O 3.26Å; P363-C374 WeakPolarHBondContact CD-O 3.23Å; R372-C374 VanDerWaalsContact C-N 3.32Å; R372-C374 PolarHBondContact O-N 2.62Å; R372-C374 PolarHBondContact O-SG 3.03Å
375	S	94.9	Very high	81.9	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.8	167.4	70.1	0	0	0	0	112.4	F311 A340 L342 L361 N377	F311-S375 WeakPolarHBondContact CE1-O 3.05Å; A340-S375 PolarHBondContact O-N 3.34Å; L342-S375 PolarHBondContact N-O 3.27Å; L361-S375 WeakPolarHBondContact O-CA 3.47Å; S375-N377 PolarHBondContact OG-ND2 3.11Å
376	I	93.8	Very high	81.7	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.7	168.4	67	167.1	0	0	0	109.8	A304 L308 F311 L342 I348 G360 L361	A304-I376 HydrophobicContact CB-CD1 4.12Å; A304-I376 WeakPolarHBondContact O-CD1 3.39Å; L308-I376 HydrophobicContact CB-CD1 4.12Å; L308-I376 HydrophobicContact CB-CG1 4.28Å; L308-I376 HydrophobicContact CB-CG2 4.17Å; L308-I376 HydrophobicContact CD1-CG2 3.99Å; F311-I376 HydrophobicContact CB-CG2 4.24Å; F311-I376 HydrophobicContact CD1-CG2 4.19Å; F311-I376 HydrophobicContact CG-CG2 4.48Å; L342-I376 HydrophobicContact CB-CB 4.46Å; L342-I376 HydrophobicContact CB-CG2 4.09Å; L342-I376 HydrophobicContact CD2-CB 4.44Å; L342-I376 HydrophobicContact CD2-CG2 3.87Å; L342-I376 CarbonylContact O-C 3.46Å; I348-I376 HydrophobicContact CD1-CD1 4.12Å; I348-I376 HydrophobicContact CD1-CG1 4.27Å; G360-I376 CarbonylContact C-O 3.55Å; G360-I376 VanDerWaalsContact CA-O 3.31Å; G360-I376 WeakPolarHBondContact CA-O 3.36Å; L361-I376 HydrophobicContact CB-CD1 4.37Å; L361-I376 HydrophobicContact CB-CG1 3.93Å; L361-I376 PolarHBondContact N-O 3.32Å; L361-I376 PolarHBondContact O-N 2.85Å
377	N	90.8	Very high	81.6	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	123.2	-171.8	-53.5	-100.6	0	0	0	111.1	L342 I343 T344 L359 S375 T384 I388	L342-N377 WeakPolarHBondContact O-CB 3.49Å; L342-N377 PolarHBondContact O-N 2.8Å; L342-N377 PolarHBondContact O-ND2 3Å; I343-N377 WeakPolarHBondContact CA-O 3.21Å; T344-N377 WeakPolarHBondContact CG2-O 3.05Å; T344-N377 PolarHBondContact N-O 2.86Å; L359-N377 CarbonylContact O-C 3.53Å; L359-N377 VanDerWaalsContact O-CA 3.24Å; L359-N377 WeakPolarHBondContact O-CA 3.35Å; S375-N377 PolarHBondContact OG-ND2 3.11Å; N377-T384 HydrophobicContact CB-CG2 4.37Å; N377-I388 HydrophobicContact CB-CG1 4.1Å; N377-I388 WeakPolarHBondContact OD1-CA 3.27Å; N377-I388 WeakPolarHBondContact OD1-CG1 3.34Å; N377-I388 PolarHBondContact OD1-N 3.06Å
378	E	86.2	Confident	81.6	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.019	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.5	163.4	-178.7	178	139.3	0	0	109.2	R194 T344 D347 I348 L359 I380	R194-E378 IonicContact CZ-OE1 3.72Å; R194-E378 IonicContact NH1-OE1 2.82Å; R194-E378 PolarHBondContact NH1-OE1 3.17Å; R194-E378 IonicContact NH1-OE2 2.62Å; T344-E378 CarbonylContact O-C 2.94Å; T344-E378 WeakPolarHBondContact O-CA 3.42Å; D347-E378 WeakPolarHBondContact CA-OE2 3.39Å; I348-E378 HydrophobicContact CD1-CB 4.45Å; I348-E378 HydrophobicContact CG1-CB 4.26Å; I348-E378 PolarHBondContact N-OE2 2.89Å; L359-E378 HydrophobicContact CB-CB 4.43Å; L359-E378 HydrophobicContact CD2-CB 4.19Å; L359-E378 HydrophobicContact CD2-CG 4.32Å; L359-E378 PolarHBondContact O-N 2.9Å; E378-I380 HydrophobicContact CG-CG2 4.37Å; E378-I380 PolarHBondContact O-N 2.89Å
379	D	81.6	Confident	81.6	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.			trans	-78.5	118.3	178.9	179.6	51.3	0	0	0	111.8	M248 H252 Y260 I343 T344 R345 T384	M248-D379 HydrophobicContact CE-CB 4.1Å; M248-D379 HydrophobicContact SD-CB 3.4Å; M248-D379 WeakPolarHBondContact SD-CB 3.44Å; H252-D379 IonicContact CD2-OD2 2.66Å; H252-D379 IonicContact CE1-OD2 3.08Å; H252-D379 IonicContact NE2-OD2 3.53Å; H252-D379 PolarHBondContact NE2-OD2 3.35Å; Y260-D379 WeakPolarHBondContact CE1-OD1 3.28Å; Y260-D379 VanDerWaalsContact OH-CG 3.26Å; Y260-D379 PolarHBondContact OH-OD1 2.93Å; Y260-D379 PolarHBondContact OH-OD2 3.45Å; I343-D379 HydrophobicContact CG2-CB 3.82Å; T344-D379 PolarHBondContact O-N 2.04Å; R345-D379 WeakPolarHBondContact CD-O 3.24Å; R345-D379 HydrophobicContact CG-CB 4.28Å; R345-D379 PolarHBondContact NH1-O 2.63Å; D379-T384 WeakPolarHBondContact CA-OG1 3.35Å; D379-T384 PolarHBondContact OD1-OG1 3.27Å
380	I	71	Confident	81.8	Confident	5 Å²	5	16.7 Å²	16.7	3%	0.026	8%	0.082	C	C	.	.			trans	-125.9	52	179.5	57.3	132.8	0	0	0	111.3	L359 E378 T384 Q480 I511	L359-I380 HydrophobicContact CD1-CB 4.42Å; L359-I380 HydrophobicContact CD1-CD1 3.5Å; L359-I380 VanDerWaalsContact CD1-CD1 3.5Å; L359-I380 HydrophobicContact CD1-CG1 3.76Å; L359-I380 HydrophobicContact CD1-CG2 3.96Å; L359-I380 HydrophobicContact CD2-CG2 3.81Å; L359-I380 HydrophobicContact CG-CG2 4.46Å; E378-I380 HydrophobicContact CG-CG2 4.37Å; E378-I380 PolarHBondContact O-N 2.89Å; I380-T384 PolarHBondContact N-OG1 3.13Å; I380-Q480 HydrophobicContact CB-CG 4.32Å; I380-Q480 VanDerWaalsContact O-CD 3.31Å; I380-Q480 VanDerWaalsContact O-CG 3.27Å; I380-Q480 WeakPolarHBondContact O-CG 3.41Å; I380-Q480 PolarHBondContact O-NE2 3.05Å; I380-Q480 VanDerWaalsContact O-NE2 3.15Å; I380-I511 HydrophobicContact CD1-CD1 3.57Å
381	G	69.3	Low	82.4	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	71.5	-159.2	179.8	0	0	0	0	0	111.9	Y260 G383 T384	Y260-G381 WeakPolarHBondContact OH-CA 3.48Å; Y260-G381 PolarHBondContact OH-N 2.91Å; Y260-G381 PolarHBondContact OH-O 2.78Å; G381-G383 PolarHBondContact O-N 3.14Å; G381-T384 WeakPolarHBondContact O-CB 3.09Å; G381-T384 PolarHBondContact O-N 2.99Å; G381-T384 PolarHBondContact O-OG1 3.35Å
382	L	68.5	Low	83.1	Confident	11 Å²	11	7.9 Å²	7.9	6%	0.058	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-59.8	-13.4	174.7	-60	-175.8	0	0	0	113.3	Y260 A263 V264 I267 T384 A385 P467 Y471 Q476 A514	Y260-L382 HydrophobicContact CD2-CD2 4.48Å; Y260-L382 HydrophobicContact CE2-CD2 4.18Å; A263-L382 HydrophobicContact CB-CD2 4.48Å; V264-L382 HydrophobicContact CG2-CD2 4.18Å; I267-L382 HydrophobicContact CD1-CB 4.17Å; L382-T384 PolarHBondContact O-N 2.79Å; L382-A385 PolarHBondContact O-N 2.84Å; L382-P467 HydrophobicContact CD1-CB 4.04Å; L382-Y471 HydrophobicContact CD1-CD2 4.1Å; L382-Y471 HydrophobicContact CD2-CD2 4.39Å; L382-Q476 HydrophobicContact CD1-CG 3.93Å; L382-Q476 HydrophobicContact CG-CG 4.48Å; L382-A514 HydrophobicContact CD1-CB 3.81Å
383	G	68.2	Low	83.4	Confident	4 Å²	4	4 Å²	4	4%	0.041	2%	0.02	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.7	170.5	0	0	0	0	0	114.6	G381 A385 F386	G381-G383 PolarHBondContact O-N 3.14Å; G383-A385 PolarHBondContact O-N 2.89Å; G383-F386 WeakPolarHBondContact O-CD2 3.35Å; G383-F386 PolarHBondContact O-N 2.79Å
384	T	77.9	Confident	83.2	Confident	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-56.6	-25.5	176.9	-48	0	0	0	0	112.2	I343 N377 D379 I380 G381 L382 F386 T387 I388	I343-T384 HydrophobicContact CG2-CG2 4.27Å; N377-T384 HydrophobicContact CB-CG2 4.37Å; D379-T384 WeakPolarHBondContact CA-OG1 3.35Å; D379-T384 PolarHBondContact OD1-OG1 3.27Å; I380-T384 PolarHBondContact N-OG1 3.13Å; G381-T384 WeakPolarHBondContact O-CB 3.09Å; G381-T384 PolarHBondContact O-N 2.99Å; G381-T384 PolarHBondContact O-OG1 3.35Å; L382-T384 PolarHBondContact O-N 2.79Å; T384-F386 VanDerWaalsContact C-N 3.33Å; T384-F386 PolarHBondContact O-N 2.9Å; T384-T387 WeakPolarHBondContact O-CB 3.05Å; T384-T387 PolarHBondContact O-N 3.2Å; T384-I388 HydrophobicContact CG2-CD1 3.89Å; T384-I388 HydrophobicContact CG2-CG1 4.27Å; T384-I388 WeakPolarHBondContact O-CG1 3.45Å; T384-I388 PolarHBondContact O-N 3.03Å
385	A	76.8	Confident	83.1	Confident	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-64.7	-32.4	176.3	0	0	0	0	0	113.7	V264 I267 V268 L382 G383 A389	V264-A385 HydrophobicContact CG1-CB 4.03Å; V264-A385 WeakPolarHBondContact O-CB 3.06Å; I267-A385 HydrophobicContact CB-CB 3.52Å; I267-A385 HydrophobicContact CD1-CB 4.35Å; I267-A385 HydrophobicContact CG2-CB 3.46Å; I267-A385 VanDerWaalsContact CG2-CB 3.46Å; V268-A385 HydrophobicContact CG2-CB 3.99Å; V268-A385 WeakPolarHBondContact CG2-O 3.49Å; L382-A385 PolarHBondContact O-N 2.84Å; G383-A385 PolarHBondContact O-N 2.89Å; A385-A389 VanDerWaalsContact O-CB 3.31Å; A385-A389 WeakPolarHBondContact O-CB 3.42Å; A385-A389 PolarHBondContact O-N 2.91Å
386	F	76.9	Confident	82.9	Confident	29 Å²	29	4.1 Å²	4.1	13%	0.127	2%	0.02	C	C	.	.	H	α-helix	trans	-70.6	-40.6	175.1	-57.8	-66.6	0	0	0	110.6	L271 G383 T384 A389 H390 L417 F429 I511	L271-F386 HydrophobicContact CD1-CD1 3.69Å; L271-F386 HydrophobicContact CD1-CE1 4.06Å; L271-F386 HydrophobicContact CD2-CD1 4.37Å; L271-F386 HydrophobicContact CD2-CE1 4.2Å; G383-F386 WeakPolarHBondContact O-CD2 3.35Å; G383-F386 PolarHBondContact O-N 2.79Å; T384-F386 VanDerWaalsContact C-N 3.33Å; T384-F386 PolarHBondContact O-N 2.9Å; F386-A389 PolarHBondContact O-N 3.4Å; F386-H390 WeakPolarHBondContact O-CB 3.36Å; F386-H390 PolarHBondContact O-N 3.01Å; F386-L417 HydrophobicContact CB-CD1 4.36Å; F386-L417 HydrophobicContact CD1-CD1 4.26Å; F386-F429 HydrophobicContact CD1-CB 4.24Å; F386-F429 AromaticContact CD1-CD1 3.74Å; F386-F429 HydrophobicContact CD1-CD1 3.74Å; F386-F429 HydrophobicContact CD1-CD2 4.13Å; F386-F429 HydrophobicContact CD1-CE1 4.02Å; F386-F429 HydrophobicContact CD1-CE2 4.37Å; F386-F429 AromaticContact CD1-CG 3.8Å; F386-F429 HydrophobicContact CD1-CG 3.8Å; F386-F429 HydrophobicContact CD1-CZ 4.32Å; F386-F429 HydrophobicContact CD2-CE1 4.41Å; F386-F429 HydrophobicContact CD2-CZ 4.23Å; F386-F429 HydrophobicContact CE1-CB 3.91Å; F386-F429 AromaticContact CE1-CD1 3.86Å; F386-F429 HydrophobicContact CE1-CD1 3.86Å; F386-F429 AromaticContact CE1-CD2 3.36Å; F386-F429 HydrophobicContact CE1-CD2 3.36Å; F386-F429 HydrophobicContact CE1-CE1 4.15Å; F386-F429 AromaticContact CE1-CE2 3.69Å; F386-F429 HydrophobicContact CE1-CE2 3.69Å; F386-F429 AromaticContact CE1-CG 3.45Å; F386-F429 HydrophobicContact CE1-CG 3.45Å; F386-F429 VanDerWaalsContact CE1-CG 3.45Å; F386-F429 HydrophobicContact CE1-CZ 4.07Å; F386-F429 HydrophobicContact CE2-CD2 4.46Å; F386-F429 AromaticContact CE2-CE2 3.94Å; F386-F429 HydrophobicContact CE2-CE2 3.94Å; F386-F429 AromaticContact CE2-CZ 3.98Å; F386-F429 HydrophobicContact CE2-CZ 3.98Å; F386-F429 HydrophobicContact CG-CD1 4.32Å; F386-F429 HydrophobicContact CG-CE1 4.17Å; F386-F429 HydrophobicContact CG-CZ 4.42Å; F386-F429 AromaticContact CZ-CD2 3.57Å; F386-F429 HydrophobicContact CZ-CD2 3.57Å; F386-F429 HydrophobicContact CZ-CE1 4.41Å; F386-F429 AromaticContact CZ-CE2 3.44Å; F386-F429 HydrophobicContact CZ-CE2 3.44Å; F386-F429 VanDerWaalsContact CZ-CE2 3.44Å; F386-F429 HydrophobicContact CZ-CG 4.12Å; F386-F429 AromaticContact CZ-CZ 3.9Å; F386-F429 HydrophobicContact CZ-CZ 3.9Å; F386-I511 HydrophobicContact CE2-CG2 4.35Å
387	T	80.7	Confident	82.5	Confident	2 Å²	2	4.9 Å²	4.9	1%	0.012	3%	0.028	C	C	.	.	H	α-helix	trans	-60.4	-52.8	173.6	-45.4	0	0	0	0	111.4	L359 T384 A389 H390 E391	L359-T387 HydrophobicContact CB-CG2 3.88Å; L359-T387 WeakPolarHBondContact O-CG2 3.34Å; T384-T387 WeakPolarHBondContact O-CB 3.05Å; T384-T387 PolarHBondContact O-N 3.2Å; T387-A389 VanDerWaalsContact C-N 3.26Å; T387-A389 PolarHBondContact O-N 2.84Å; T387-H390 WeakPolarHBondContact O-CA 3.26Å; T387-H390 WeakPolarHBondContact O-CB 3.3Å; T387-H390 PolarHBondContact O-N 3.1Å; T387-E391 HydrophobicContact CG2-CG 4.44Å; T387-E391 WeakPolarHBondContact O-CG 3.41Å; T387-E391 PolarHBondContact O-N 2.71Å
388	I	86.9	Confident	82.3	Confident	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.5	-38.8	179.2	-66.9	163.2	0	0	0	111	V264 M265 V268 V341 I343 N377 T384 I392	V264-I388 HydrophobicContact CG1-CD1 3.65Å; M265-I388 HydrophobicContact SD-CD1 4.26Å; M265-I388 HydrophobicContact SD-CG2 4.19Å; V268-I388 HydrophobicContact CG1-CG2 4.09Å; V268-I388 HydrophobicContact CG2-CB 3.8Å; V268-I388 HydrophobicContact CG2-CG2 3.7Å; V341-I388 HydrophobicContact CG1-CD1 4.05Å; V341-I388 HydrophobicContact CG1-CG1 3.92Å; V341-I388 HydrophobicContact CG1-CG2 3.92Å; V341-I388 HydrophobicContact CG2-CG2 4.22Å; I343-I388 HydrophobicContact CD1-CD1 3.83Å; I343-I388 HydrophobicContact CG1-CD1 4.14Å; N377-I388 HydrophobicContact CB-CG1 4.1Å; N377-I388 WeakPolarHBondContact OD1-CA 3.27Å; N377-I388 WeakPolarHBondContact OD1-CG1 3.34Å; N377-I388 PolarHBondContact OD1-N 3.06Å; T384-I388 HydrophobicContact CG2-CD1 3.89Å; T384-I388 HydrophobicContact CG2-CG1 4.27Å; T384-I388 WeakPolarHBondContact O-CG1 3.45Å; T384-I388 PolarHBondContact O-N 3.03Å; I388-I392 HydrophobicContact CG2-CD1 3.71Å; I388-I392 HydrophobicContact CG2-CG1 4.4Å; I388-I392 WeakPolarHBondContact O-CB 2.95Å; I388-I392 WeakPolarHBondContact O-CG1 3.44Å; I388-I392 PolarHBondContact O-N 3.45Å
389	A	86	Confident	82.2	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-67.2	-37.9	176.2	0	0	0	0	0	113	V268 L271 F272 A385 F386 T387 G393 L417	V268-A389 HydrophobicContact CG1-CB 4.34Å; L271-A389 HydrophobicContact CB-CB 4.22Å; L271-A389 HydrophobicContact CD1-CB 3.66Å; F272-A389 HydrophobicContact CE2-CB 4.09Å; A385-A389 VanDerWaalsContact O-CB 3.31Å; A385-A389 WeakPolarHBondContact O-CB 3.42Å; A385-A389 PolarHBondContact O-N 2.91Å; F386-A389 PolarHBondContact O-N 3.4Å; T387-A389 VanDerWaalsContact C-N 3.26Å; T387-A389 PolarHBondContact O-N 2.84Å; A389-G393 PolarHBondContact O-N 3.27Å; A389-L417 HydrophobicContact CB-CD2 4.12Å
390	H	85.1	Confident	82.2	Confident	21 Å²	21	9.8 Å²	9.8	10%	0.097	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-48.6	173.8	-174.5	107.5	0	0	0	111.5	F386 T387 I392 G393 H394 H400 L417 M418 A419	F386-H390 WeakPolarHBondContact O-CB 3.36Å; F386-H390 PolarHBondContact O-N 3.01Å; T387-H390 WeakPolarHBondContact O-CA 3.26Å; T387-H390 WeakPolarHBondContact O-CB 3.3Å; T387-H390 PolarHBondContact O-N 3.1Å; H390-I392 PolarHBondContact O-N 3.44Å; H390-G393 CarbonylContact O-C 3.4Å; H390-G393 VanDerWaalsContact O-CA 3.26Å; H390-G393 WeakPolarHBondContact O-CA 3.15Å; H390-G393 PolarHBondContact O-N 2.99Å; H390-H394 AromaticContact CD2-CD2 3.84Å; H390-H394 AromaticContact CD2-NE2 3.65Å; H390-H394 AromaticContact NE2-NE2 3.35Å; H390-H394 PolarHBondContact NE2-NE2 2.89Å; H390-H394 PolarHBondContact O-N 3.41Å; H390-H400 AromaticContact CE1-CD2 3.67Å; H390-H400 AromaticContact CE1-NE2 3.78Å; H390-H400 AromaticContact NE2-CD2 3.54Å; H390-H400 AromaticContact NE2-NE2 3.31Å; H390-H400 PolarHBondContact NE2-NE2 3.43Å; H390-L417 PolarHBondContact ND1-O 2.84Å; H390-M418 HydrophobicContact CB-SD 4.44Å; H390-M418 WeakPolarHBondContact O-CE 3.15Å; H390-A419 PolarHBondContact CE1-O 2.78Å; H390-A419 VanDerWaalsContact CE1-O 3.27Å
391	E	91.4	Very high	82.4	Confident	4 Å²	4	9.9 Å²	9.9	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-65.4	-36.6	178.7	-62.6	-42.2	136.3	0	0	113.1	G360 L361 A362 T387 G393 H394 T395	G360-E391 VanDerWaalsContact CA-OE1 3.29Å; G360-E391 WeakPolarHBondContact CA-OE1 3.41Å; L361-E391 WeakPolarHBondContact CA-OE2 3.49Å; L361-E391 VanDerWaalsContact N-CD 3.28Å; L361-E391 PolarHBondContact N-OE2 2.93Å; A362-E391 HydrophobicContact CB-CB 3.93Å; A362-E391 WeakPolarHBondContact CB-O 3.21Å; A362-E391 WeakPolarHBondContact CB-OE2 3.4Å; A362-E391 PolarHBondContact N-OE2 3.04Å; T387-E391 HydrophobicContact CG2-CG 4.44Å; T387-E391 WeakPolarHBondContact O-CG 3.41Å; T387-E391 PolarHBondContact O-N 2.71Å; E391-G393 VanDerWaalsContact C-N 3.29Å; E391-H394 WeakPolarHBondContact O-CB 3.43Å; E391-H394 PolarHBondContact O-N 3.39Å; E391-H394 IonicContact OE2-CD2 3.59Å; E391-T395 PolarHBondContact O-N 3.27Å; E391-T395 VanDerWaalsContact O-N 3.11Å
392	I	93.8	Very high	82.5	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68	-31.9	170.9	-65.3	169.1	0	0	0	110.5	V268 F272 V341 M367 I388 H390 H394 T395 F396	V268-I392 HydrophobicContact CG1-CD1 4.08Å; F272-I392 HydrophobicContact CE1-CG2 4.12Å; F272-I392 HydrophobicContact CE2-CB 3.98Å; F272-I392 HydrophobicContact CE2-CD1 4.47Å; F272-I392 HydrophobicContact CE2-CG2 3.8Å; F272-I392 HydrophobicContact CZ-CB 3.74Å; F272-I392 HydrophobicContact CZ-CG2 3.36Å; V341-I392 HydrophobicContact CG2-CD1 4.28Å; M367-I392 HydrophobicContact CE-CG2 3.81Å; I388-I392 HydrophobicContact CG2-CD1 3.71Å; I388-I392 HydrophobicContact CG2-CG1 4.4Å; I388-I392 WeakPolarHBondContact O-CB 2.95Å; I388-I392 WeakPolarHBondContact O-CG1 3.44Å; I388-I392 PolarHBondContact O-N 3.45Å; H390-I392 PolarHBondContact O-N 3.44Å; I392-H394 VanDerWaalsContact C-N 3.31Å; I392-H394 PolarHBondContact O-N 2.75Å; I392-T395 PolarHBondContact O-N 3.41Å; I392-T395 PolarHBondContact O-OG1 3.25Å; I392-F396 HydrophobicContact CG2-CD2 4Å; I392-F396 HydrophobicContact CG2-CE2 3.92Å; I392-F396 VanDerWaalsContact O-CD2 3.29Å; I392-F396 WeakPolarHBondContact O-CD2 2.99Å; I392-F396 PolarHBondContact O-N 2.83Å; I392-F396 VanDerWaalsContact O-N 3.09Å
393	G	89.6	Confident	81.6	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.9	-43.5	168	0	0	0	0	0	112.3	A389 H390 E391 F396 G397 M398	A389-G393 PolarHBondContact O-N 3.27Å; H390-G393 CarbonylContact O-C 3.4Å; H390-G393 VanDerWaalsContact O-CA 3.26Å; H390-G393 WeakPolarHBondContact O-CA 3.15Å; H390-G393 PolarHBondContact O-N 2.99Å; E391-G393 VanDerWaalsContact C-N 3.29Å; G393-F396 WeakPolarHBondContact O-CB 3.49Å; G393-F396 PolarHBondContact O-N 3.42Å; G393-G397 PolarHBondContact O-N 3.44Å; G393-M398 WeakPolarHBondContact O-CB 3.29Å; G393-M398 VanDerWaalsContact O-CG 3.23Å; G393-M398 WeakPolarHBondContact O-CG 3.39Å; G393-M398 PolarHBondContact O-N 2.86Å
394	H	85.2	Confident	81	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-43	172.7	-74.7	-43.1	0	0	0	112.9	V198 A362 V364 G365 H390 E391 I392 F396 G397 M398 H400 M418	V198-H394 WeakPolarHBondContact CG2-NE2 3.43Å; A362-H394 HydrophobicContact CB-CB 4.29Å; V364-H394 CarbonylContact C-O 3.56Å; V364-H394 VanDerWaalsContact CA-O 3.28Å; V364-H394 WeakPolarHBondContact CA-O 3.22Å; V364-H394 HydrophobicContact CG2-CB 4.45Å; G365-H394 PolarHBondContact N-O 3.25Å; H390-H394 AromaticContact CD2-CD2 3.84Å; H390-H394 AromaticContact CD2-NE2 3.65Å; H390-H394 AromaticContact NE2-NE2 3.35Å; H390-H394 PolarHBondContact NE2-NE2 2.89Å; H390-H394 PolarHBondContact O-N 3.41Å; E391-H394 WeakPolarHBondContact O-CB 3.43Å; E391-H394 PolarHBondContact O-N 3.39Å; E391-H394 IonicContact OE2-CD2 3.59Å; I392-H394 VanDerWaalsContact C-N 3.31Å; I392-H394 PolarHBondContact O-N 2.75Å; H394-F396 PolarHBondContact O-N 3.1Å; H394-G397 WeakPolarHBondContact O-CA 3.38Å; H394-G397 PolarHBondContact O-N 3.08Å; H394-M398 PolarHBondContact ND1-O 2.92Å; H394-H400 AromaticContact CE1-CD2 3.73Å; H394-H400 AromaticContact CE1-NE2 3.99Å; H394-H400 AromaticContact NE2-CD2 3.78Å; H394-H400 AromaticContact NE2-NE2 3.63Å; H394-M418 VanDerWaalsContact CE1-CE 3.48Å; H394-M418 WeakPolarHBondContact CE1-CE 3.17Å
395	T	90.1	Very high	80.4	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-28.2	177.2	67	0	0	0	0	112.5	A362 G365 G366 M367 E391 I392 G397	A362-T395 HydrophobicContact CB-CG2 4.05Å; G365-T395 CarbonylContact C-O 3.57Å; G365-T395 VanDerWaalsContact CA-O 3.24Å; G365-T395 WeakPolarHBondContact CA-O 3.03Å; G366-T395 PolarHBondContact N-O 3.49Å; G366-T395 VanDerWaalsContact N-O 3.15Å; M367-T395 VanDerWaalsContact CB-O 3.23Å; M367-T395 WeakPolarHBondContact CB-O 3.34Å; M367-T395 WeakPolarHBondContact CE-OG1 2.98Å; M367-T395 PolarHBondContact N-O 3.46Å; E391-T395 PolarHBondContact O-N 3.27Å; E391-T395 VanDerWaalsContact O-N 3.11Å; I392-T395 PolarHBondContact O-N 3.41Å; I392-T395 PolarHBondContact O-OG1 3.25Å; T395-G397 PolarHBondContact O-N 3.46Å
396	F	91.1	Very high	79.7	Confident	0 Å²	0	29 Å²	29	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	1.4	167.9	-83.8	-65.2	0	0	0	115.6	V238 F272 V281 M367 I392 G393 H394 M398 I439 F442 L443 L451	V238-F396 HydrophobicContact CG2-CE2 4.24Å; V238-F396 HydrophobicContact CG2-CZ 3.77Å; F272-F396 HydrophobicContact CD1-CE2 4.39Å; F272-F396 AromaticContact CE1-CD2 3.96Å; F272-F396 HydrophobicContact CE1-CD2 3.96Å; F272-F396 AromaticContact CE1-CE2 3.78Å; F272-F396 HydrophobicContact CE1-CE2 3.78Å; F272-F396 HydrophobicContact CZ-CD2 4.48Å; F272-F396 HydrophobicContact CZ-CE2 4.41Å; V281-F396 HydrophobicContact CG1-CE2 4.12Å; V281-F396 HydrophobicContact CG1-CZ 3.82Å; V281-F396 HydrophobicContact CG2-CZ 4.5Å; M367-F396 HydrophobicContact CE-CD1 4.47Å; M367-F396 HydrophobicContact CE-CD2 3.83Å; M367-F396 HydrophobicContact CE-CE1 4.19Å; M367-F396 HydrophobicContact CE-CE2 3.49Å; M367-F396 VanDerWaalsContact CE-CE2 3.49Å; M367-F396 HydrophobicContact CE-CG 4.31Å; M367-F396 HydrophobicContact CE-CZ 3.69Å; M367-F396 HydrophobicContact CG-CE1 4.38Å; I392-F396 HydrophobicContact CG2-CD2 4Å; I392-F396 HydrophobicContact CG2-CE2 3.92Å; I392-F396 VanDerWaalsContact O-CD2 3.29Å; I392-F396 WeakPolarHBondContact O-CD2 2.99Å; I392-F396 PolarHBondContact O-N 2.83Å; I392-F396 VanDerWaalsContact O-N 3.09Å; G393-F396 WeakPolarHBondContact O-CB 3.49Å; G393-F396 PolarHBondContact O-N 3.42Å; H394-F396 PolarHBondContact O-N 3.1Å; F396-M398 HydrophobicContact CB-CE 4.48Å; F396-I439 HydrophobicContact CB-CD1 4.16Å; F396-I439 HydrophobicContact CB-CG1 4.2Å; F396-I439 HydrophobicContact CD1-CD1 3.57Å; F396-I439 HydrophobicContact CD1-CG1 3.69Å; F396-I439 HydrophobicContact CD2-CD1 3.78Å; F396-I439 HydrophobicContact CE1-CD1 3.75Å; F396-I439 HydrophobicContact CE1-CG1 4.15Å; F396-I439 HydrophobicContact CE2-CD1 3.97Å; F396-I439 HydrophobicContact CG-CD1 3.58Å; F396-I439 HydrophobicContact CG-CG1 3.96Å; F396-I439 HydrophobicContact CZ-CD1 3.95Å; F396-F442 HydrophobicContact CD1-CD1 4.01Å; F396-F442 HydrophobicContact CD1-CE1 4.17Å; F396-F442 WeakPolarHBondContact O-CB 3.4Å; F396-F442 WeakPolarHBondContact O-CD2 3Å; F396-F442 VanDerWaalsContact O-CG 3.26Å; F396-F442 WeakPolarHBondContact O-CG 3.49Å; F396-L443 HydrophobicContact CE1-CD2 4.32Å; F396-L451 HydrophobicContact CD1-CD1 4.49Å; F396-L451 HydrophobicContact CE1-CD1 3.41Å; F396-L451 VanDerWaalsContact CE1-CD1 3.41Å; F396-L451 HydrophobicContact CZ-CD1 3.83Å
397	G	85.4	Confident	79.3	Confident	17 Å²	17	29.1 Å²	29.1	18%	0.175	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	13	179.6	0	0	0	0	0	114.7	G393 H394 T395	G393-G397 PolarHBondContact O-N 3.44Å; H394-G397 WeakPolarHBondContact O-CA 3.38Å; H394-G397 PolarHBondContact O-N 3.08Å; T395-G397 PolarHBondContact O-N 3.46Å
398	M	87.5	Confident	78.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-71.2	138.6	172.8	-55.3	-179.7	-168.3	0	0	110.6	L277 G393 H394 F396 M418 W431 Y438 I439	L277-M398 HydrophobicContact CD1-CE 3.68Å; G393-M398 WeakPolarHBondContact O-CB 3.29Å; G393-M398 VanDerWaalsContact O-CG 3.23Å; G393-M398 WeakPolarHBondContact O-CG 3.39Å; G393-M398 PolarHBondContact O-N 2.86Å; H394-M398 PolarHBondContact ND1-O 2.92Å; F396-M398 HydrophobicContact CB-CE 4.48Å; M398-M418 HydrophobicContact CB-CE 4.19Å; M398-M418 HydrophobicContact CB-CG 4.21Å; M398-M418 HydrophobicContact CB-SD 4.41Å; M398-M418 HydrophobicContact SD-CG 3.75Å; M398-M418 HydrophobicContact SD-SD 3.98Å; M398-W431 HydrophobicContact CE-CE3 3.88Å; M398-W431 HydrophobicContact CE-CH2 4.33Å; M398-W431 HydrophobicContact CE-CZ3 3.71Å; M398-W431 HydrophobicContact SD-CE3 3.73Å; M398-W431 HydrophobicContact SD-CZ3 3.5Å; M398-W431 WeakPolarHBondContact SD-CZ3 3.43Å; M398-Y438 HydrophobicContact CB-CD2 4.23Å; M398-I439 HydrophobicContact CE-CB 3.79Å; M398-I439 HydrophobicContact CE-CD1 4.07Å; M398-I439 HydrophobicContact CE-CG1 4.48Å; M398-I439 HydrophobicContact CE-CG2 4.03Å
399	N	82.4	Confident	76.3	Confident	59 Å²	59	34.9 Å²	34.9	32%	0.316	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-98.3	167.3	166.6	-63.1	-74.7	0	0	0	109.9	Y438	N399-Y438 HydrophobicContact CB-CE2 3.97Å
400	H	82.3	Confident	74.7	Confident	49 Å²	49	43.7 Å²	43.7	23%	0.227	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59.1	145.1	176.2	-71.5	158.2	0	0	0	113.1	V198 H390 H394 G402 N405 M418	V198-H400 WeakPolarHBondContact CG2-NE2 3.49Å; H390-H400 AromaticContact CE1-CD2 3.67Å; H390-H400 AromaticContact CE1-NE2 3.78Å; H390-H400 AromaticContact NE2-CD2 3.54Å; H390-H400 AromaticContact NE2-NE2 3.31Å; H390-H400 PolarHBondContact NE2-NE2 3.43Å; H394-H400 AromaticContact CE1-CD2 3.73Å; H394-H400 AromaticContact CE1-NE2 3.99Å; H394-H400 AromaticContact NE2-CD2 3.78Å; H394-H400 AromaticContact NE2-NE2 3.63Å; H400-G402 PolarHBondContact O-N 2.84Å; H400-N405 PolarHBondContact O-ND2 3.09Å; H400-M418 CarbonylContact C-O 3.56Å; H400-M418 WeakPolarHBondContact CA-O 3.45Å
401	D	75.6	Confident	73	Confident	6 Å²	6	48 Å²	48	3%	0.032	30%	0.297	C	S	.	.	S	Bend	trans	-77	94.3	167.6	-68.6	-46.2	0	0	0	109.2	C407 K416 M418 S432 S435	D401-C407 HydrophobicContact CB-CB 4.36Å; D401-C407 WeakPolarHBondContact OD1-CB 3.26Å; D401-K416 WeakPolarHBondContact OD2-CB 3.42Å; D401-M418 PolarHBondContact N-O 3.34Å; D401-M418 WeakPolarHBondContact OD2-CB 3.28Å; D401-S432 VanDerWaalsContact CG-OG 3.28Å; D401-S432 WeakPolarHBondContact OD1-CB 3.39Å; D401-S432 PolarHBondContact OD1-OG 2.96Å; D401-S432 WeakPolarHBondContact OD2-CB 3.46Å; D401-S432 PolarHBondContact OD2-OG 2.87Å; D401-S435 PolarHBondContact OD2-OG 3.12Å
402	G	71.3	Confident	70.9	Confident	7 Å²	7	56.6 Å²	56.6	7%	0.072	34%	0.337	C	S	.	.	S	Bend	trans	-179.7	-153.3	-164	0	0	0	0	0	115.6	H400 G404 N405	H400-G402 PolarHBondContact O-N 2.84Å; G402-G404 PolarHBondContact O-N 2.66Å; G402-N405 PolarHBondContact O-N 2.83Å
403	M	49.1	Very low	69	Low	193 Å²	193	61.5 Å²	61.5	95%	0.951	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	105.6	176.6	-67.9	-173.1	-70.4	0	0	110.8
404	G	56.1	Low	67.5	Low	78 Å²	78	64 Å²	64	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	137	-15.4	178.8	0	0	0	0	0	114.5	G402	G402-G404 PolarHBondContact O-N 2.66Å
405	N	64.9	Low	66.4	Low	39 Å²	39	64.7 Å²	64.7	21%	0.209	38%	0.382	C	S	.	.	S	Bend	trans	-139.4	177.3	174.4	63.6	39.7	0	0	0	112.3	H400 G402 C407 Y438	H400-N405 PolarHBondContact O-ND2 3.09Å; G402-N405 PolarHBondContact O-N 2.83Å; N405-C407 PolarHBondContact O-N 2.89Å; N405-C407 PolarHBondContact OD1-N 3.13Å; N405-Y438 PolarHBondContact ND2-OH 3.13Å
406	A	63.2	Low	65.8	Low	100 Å²	100	66.6 Å²	66.6	83%	0.826	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.2	-176.9	0	0	0	0	0	114.4
407	C	67.8	Low	65.2	Low	32 Å²	32	67.1 Å²	67.1	22%	0.216	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	10.5	-178.1	-60	0	0	0	0	113.6	D401 N405 C434	D401-C407 HydrophobicContact CB-CB 4.36Å; D401-C407 WeakPolarHBondContact OD1-CB 3.26Å; N405-C407 PolarHBondContact O-N 2.89Å; N405-C407 PolarHBondContact OD1-N 3.13Å; C407-C434 HydrophobicContact CB-CB 3.79Å; C407-C434 WeakPolarHBondContact CB-SG 3.34Å; C407-C434 WeakPolarHBondContact SG-CB 3.28Å; C407-C434 PolarHBondContact SG-N 2.9Å; C407-C434 CovalentContact SG-SG 2.04Å; C407-C434 PolarHBondContact SG-SG 3.44Å
408	G	57.3	Low	65.1	Low	24 Å²	24	66.3 Å²	66.3	25%	0.247	38%	0.384	C	S	.	.	S	Bend	trans	-60.1	146.6	170.9	0	0	0	0	0	112.7	R410	G408-R410 PolarHBondContact O-N 3.01Å
409	P	48	Very low	64.6	Low	98 Å²	98	66.8 Å²	66.8	64%	0.636	39%	0.388	S	S	*	.			trans	-67.1	107.3	-170.2	25.9	-34.8	0	0	0	112.3
410	R	52.8	Low	64	Low	186 Å²	186	66.8 Å²	66.8	70%	0.702	39%	0.388	S	S	*	.			trans	-59.7	144.9	159.4	-67.3	177.7	172.8	-173	-3.2	108.4	G408 Q412 E413	G408-R410 PolarHBondContact O-N 3.01Å; R410-Q412 PolarHBondContact O-N 2.91Å; R410-E413 HydrophobicContact CB-CG 4.35Å; R410-E413 PolarHBondContact O-N 3.07Å
411	S	47.4	Very low	63.1	Low	112 Å²	112	69.1 Å²	69.1	78%	0.783	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-15.8	-159.6	53.8	0	0	0	0	117
412	Q	48.3	Very low	62.2	Low	184 Å²	184	70.3 Å²	70.3	86%	0.86	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-8.2	178.2	-67.4	177.4	-24.8	0	0	114.7	R410	R410-Q412 PolarHBondContact O-N 2.91Å
413	E	53.4	Low	61.3	Low	102 Å²	102	72.6 Å²	72.6	48%	0.477	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-80.2	155.7	-174.6	-73.6	-173.6	-144.2	0	0	113.8	R410	R410-E413 HydrophobicContact CB-CG 4.35Å; R410-E413 PolarHBondContact O-N 3.07Å
414	T	57.4	Low	61.1	Low	53 Å²	53	67.8 Å²	67.8	33%	0.325	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-85.7	132.3	177.6	52	0	0	0	0	111.3	K416 K425 N427	T414-K416 WeakPolarHBondContact O-CD 3.46Å; T414-K416 WeakPolarHBondContact O-CE 3.39Å; T414-K416 PolarHBondContact O-NZ 2.87Å; T414-K416 PolarHBondContact OG1-NZ 3.44Å; T414-K425 CarbonylContact C-O 3.43Å; T414-K425 VanDerWaalsContact CA-O 3.22Å; T414-K425 WeakPolarHBondContact CA-O 3.23Å; T414-K425 WeakPolarHBondContact CB-O 3.32Å; T414-N427 WeakPolarHBondContact CB-O 3.43Å; T414-N427 VanDerWaalsContact CG2-O 3.29Å; T414-N427 WeakPolarHBondContact CG2-O 3.19Å; T414-N427 PolarHBondContact OG1-O 2.88Å
415	A	62.8	Low	60.6	Low	18 Å²	18	69.6 Å²	69.6	15%	0.149	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-58.8	144.8	177.8	0	0	0	0	0	111.4	A419 K425 T426	A415-A419 HydrophobicContact CB-CB 3.87Å; A415-K425 PolarHBondContact N-O 3.37Å; A415-T426 HydrophobicContact CB-CG2 3.77Å; A415-T426 WeakPolarHBondContact O-CA 3.49Å
416	K	76.8	Confident	59.9	Low	42 Å²	42	68 Å²	68	18%	0.183	37%	0.371	C	S	.	.			trans	-103.7	175.9	-176	-54.4	-49.4	179.4	-145.8	0	110.8	D401 T414 M418 A419 I430	D401-K416 WeakPolarHBondContact OD2-CB 3.42Å; T414-K416 WeakPolarHBondContact O-CD 3.46Å; T414-K416 WeakPolarHBondContact O-CE 3.39Å; T414-K416 PolarHBondContact O-NZ 2.87Å; T414-K416 PolarHBondContact OG1-NZ 3.44Å; K416-M418 VanDerWaalsContact C-N 3.26Å; K416-M418 PolarHBondContact O-N 2.98Å; K416-A419 VanDerWaalsContact O-CB 3.24Å; K416-A419 WeakPolarHBondContact O-CB 3.43Å; K416-A419 PolarHBondContact O-N 3.13Å; K416-I430 WeakPolarHBondContact CB-O 3.39Å; K416-I430 HydrophobicContact CD-CG1 4.1Å
417	L	79.1	Confident	59.2	Low	11 Å²	11	66.4 Å²	66.4	6%	0.058	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.6	-173.3	-170.8	59.6	0	0	0	113.4	L271 F386 A389 H390 A419 I430 W431	L271-L417 HydrophobicContact CB-CD2 4.31Å; L271-L417 HydrophobicContact CD1-CD2 4.4Å; L271-L417 HydrophobicContact CD2-CD2 4.41Å; F386-L417 HydrophobicContact CB-CD1 4.36Å; F386-L417 HydrophobicContact CD1-CD1 4.26Å; A389-L417 HydrophobicContact CB-CD2 4.12Å; H390-L417 PolarHBondContact ND1-O 2.84Å; L417-A419 VanDerWaalsContact C-N 3.35Å; L417-I430 PolarHBondContact N-O 2.84Å; L417-W431 HydrophobicContact CB-CE3 4.33Å; L417-W431 HydrophobicContact CD2-CD2 3.96Å; L417-W431 HydrophobicContact CD2-CE3 4.03Å; L417-W431 HydrophobicContact CD2-CH2 3.68Å; L417-W431 HydrophobicContact CD2-CZ2 3.59Å; L417-W431 HydrophobicContact CD2-CZ3 3.89Å; L417-W431 HydrophobicContact CG-CZ3 4.39Å
418	M	83.8	Confident	58.6	Low	0 Å²	0	68 Å²	68	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	17.6	174	-60.9	-55.1	-53.3	0	0	113.6	H390 H394 M398 H400 D401 K416 W431	H390-M418 HydrophobicContact CB-SD 4.44Å; H390-M418 WeakPolarHBondContact O-CE 3.15Å; H394-M418 VanDerWaalsContact CE1-CE 3.48Å; H394-M418 WeakPolarHBondContact CE1-CE 3.17Å; M398-M418 HydrophobicContact CB-CE 4.19Å; M398-M418 HydrophobicContact CB-CG 4.21Å; M398-M418 HydrophobicContact CB-SD 4.41Å; M398-M418 HydrophobicContact SD-CG 3.75Å; M398-M418 HydrophobicContact SD-SD 3.98Å; H400-M418 CarbonylContact C-O 3.56Å; H400-M418 WeakPolarHBondContact CA-O 3.45Å; D401-M418 PolarHBondContact N-O 3.34Å; D401-M418 WeakPolarHBondContact OD2-CB 3.28Å; K416-M418 VanDerWaalsContact C-N 3.26Å; K416-M418 PolarHBondContact O-N 2.98Å; M418-W431 HydrophobicContact CG-CE3 4.21Å; M418-W431 HydrophobicContact CG-CZ3 4.14Å; M418-W431 HydrophobicContact SD-CZ3 3.88Å
419	A	77.3	Confident	58.9	Low	10 Å²	10	68.5 Å²	68.5	8%	0.083	35%	0.354	C	S	.	.			trans	-66.9	141.4	172.2	0	0	0	0	0	111.3	H390 A415 K416 L417 H421	H390-A419 PolarHBondContact CE1-O 2.78Å; H390-A419 VanDerWaalsContact CE1-O 3.27Å; A415-A419 HydrophobicContact CB-CB 3.87Å; K416-A419 VanDerWaalsContact O-CB 3.24Å; K416-A419 WeakPolarHBondContact O-CB 3.43Å; K416-A419 PolarHBondContact O-N 3.13Å; L417-A419 VanDerWaalsContact C-N 3.35Å; A419-H421 PolarHBondContact O-N 2.93Å; A419-H421 VanDerWaalsContact O-N 3.14Å
420	D	68.3	Low	60.2	Low	58 Å²	58	66 Å²	66	31%	0.31	34%	0.335	S	S	.	.	S	Bend	trans	-56.4	-27.6	-178.9	52.2	12	0	0	0	114.7
421	H	64.3	Low	61.6	Low	98 Å²	98	57.4 Å²	57.4	45%	0.454	30%	0.303	S	S	.	.	S	Bend	trans	-132	130.7	178.3	-58.5	-53.3	0	0	0	112.8	C196 A419 T423	C196-H421 PolarHBondContact O-ND1 2.79Å; A419-H421 PolarHBondContact O-N 2.93Å; A419-H421 VanDerWaalsContact O-N 3.14Å; H421-T423 HydrophobicContact CB-CG2 3.98Å; H421-T423 PolarHBondContact O-N 2.82Å
422	I	56.8	Low	63.3	Low	31 Å²	31	52.4 Å²	52.4	16%	0.159	27%	0.268	C	S	.	.			trans	-68.4	104.2	167	-58.9	-178.5	0	0	0	108.6	C196 I511	C196-I422 WeakPolarHBondContact SG-CD1 3.5Å; I422-I511 HydrophobicContact CG2-CG1 4.21Å
423	T	53.2	Low	64.9	Low	56 Å²	56	46.4 Å²	46.4	34%	0.344	25%	0.25	S	C	.	.			trans	-118.5	165.8	-178	61.2	0	0	0	0	112.4	H421 K425 T426	H421-T423 HydrophobicContact CB-CG2 3.98Å; H421-T423 PolarHBondContact O-N 2.82Å; T423-K425 PolarHBondContact O-N 3.26Å; T423-T426 WeakPolarHBondContact O-CB 3.27Å; T423-T426 WeakPolarHBondContact O-CG2 3.24Å; T423-T426 PolarHBondContact O-N 2.94Å; T423-T426 PolarHBondContact O-OG1 3.18Å
424	M	43.6	Very low	66.3	Low	92 Å²	92	42.3 Å²	42.3	45%	0.453	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-29.2	170.7	-71.8	-100.1	56.4	0	0	114.3	T426 E496	M424-T426 VanDerWaalsContact C-N 3.34Å; M424-T426 PolarHBondContact O-N 3Å; M424-E496 HydrophobicContact CE-CB 4.22Å; M424-E496 HydrophobicContact CE-CG 3.85Å; M424-E496 VanDerWaalsContact CE-OE2 3.31Å; M424-E496 WeakPolarHBondContact CE-OE2 3.35Å
425	K	45.3	Very low	67.7	Low	115 Å²	115	39.8 Å²	39.8	50%	0.5	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	5.7	-177.9	-68.9	-170.7	176	-174.2	0	114.5	T414 A415 T423 N427	T414-K425 CarbonylContact C-O 3.43Å; T414-K425 VanDerWaalsContact CA-O 3.22Å; T414-K425 WeakPolarHBondContact CA-O 3.23Å; T414-K425 WeakPolarHBondContact CB-O 3.32Å; A415-K425 PolarHBondContact N-O 3.37Å; T423-K425 PolarHBondContact O-N 3.26Å; K425-N427 PolarHBondContact O-N 2.86Å
426	T	50.4	Low	68.8	Low	6 Å²	6	42.5 Å²	42.5	4%	0.037	22%	0.223	C	C	.	.			trans	-75.7	53.8	-178.4	49.2	0	0	0	0	114.1	A415 T423 M424 R532	A415-T426 HydrophobicContact CB-CG2 3.77Å; A415-T426 WeakPolarHBondContact O-CA 3.49Å; T423-T426 WeakPolarHBondContact O-CB 3.27Å; T423-T426 WeakPolarHBondContact O-CG2 3.24Å; T423-T426 PolarHBondContact O-N 2.94Å; T423-T426 PolarHBondContact O-OG1 3.18Å; M424-T426 VanDerWaalsContact C-N 3.34Å; M424-T426 PolarHBondContact O-N 3Å; T426-R532 PolarHBondContact O-NH2 2.99Å; T426-R532 PolarHBondContact OG1-NH2 2.88Å
427	N	49	Very low	69.1	Low	67 Å²	67	45.2 Å²	45.2	36%	0.358	24%	0.24	S	C	.	.			trans	-129	126.5	-174.1	-165.8	28.3	0	0	0	113.5	T414 K425 R532	T414-N427 WeakPolarHBondContact CB-O 3.43Å; T414-N427 VanDerWaalsContact CG2-O 3.29Å; T414-N427 WeakPolarHBondContact CG2-O 3.19Å; T414-N427 PolarHBondContact OG1-O 2.88Å; K425-N427 PolarHBondContact O-N 2.86Å; N427-R532 PolarHBondContact OD1-NE 3.18Å
428	P	54.9	Low	69.3	Low	64 Å²	64	45.7 Å²	45.7	42%	0.416	24%	0.241	S	C	.	.	S	Bend	cis	-70.3	165.8	-15.3	30.9	-34	0	0	0	112.1	I430	P428-I430 HydrophobicContact CB-CG2 4.08Å; P428-I430 HydrophobicContact CG-CB 4.46Å; P428-I430 HydrophobicContact CG-CD1 3.96Å; P428-I430 HydrophobicContact CG-CG1 3.99Å; P428-I430 HydrophobicContact CG-CG2 3.76Å; P428-I430 PolarHBondContact O-N 3.11Å
429	F	64.8	Low	69.5	Low	35 Å²	35	45.7 Å²	45.7	15%	0.154	24%	0.241	C	C	.	.			trans	-73.3	73.3	171.3	-67.6	-72.3	0	0	0	110.6	L271 F386 P512	L271-F429 HydrophobicContact CD2-CB 4.13Å; F386-F429 HydrophobicContact CD1-CB 4.24Å; F386-F429 AromaticContact CD1-CD1 3.74Å; F386-F429 HydrophobicContact CD1-CD1 3.74Å; F386-F429 HydrophobicContact CD1-CD2 4.13Å; F386-F429 HydrophobicContact CD1-CE1 4.02Å; F386-F429 HydrophobicContact CD1-CE2 4.37Å; F386-F429 AromaticContact CD1-CG 3.8Å; F386-F429 HydrophobicContact CD1-CG 3.8Å; F386-F429 HydrophobicContact CD1-CZ 4.32Å; F386-F429 HydrophobicContact CD2-CE1 4.41Å; F386-F429 HydrophobicContact CD2-CZ 4.23Å; F386-F429 HydrophobicContact CE1-CB 3.91Å; F386-F429 AromaticContact CE1-CD1 3.86Å; F386-F429 HydrophobicContact CE1-CD1 3.86Å; F386-F429 AromaticContact CE1-CD2 3.36Å; F386-F429 HydrophobicContact CE1-CD2 3.36Å; F386-F429 HydrophobicContact CE1-CE1 4.15Å; F386-F429 AromaticContact CE1-CE2 3.69Å; F386-F429 HydrophobicContact CE1-CE2 3.69Å; F386-F429 AromaticContact CE1-CG 3.45Å; F386-F429 HydrophobicContact CE1-CG 3.45Å; F386-F429 VanDerWaalsContact CE1-CG 3.45Å; F386-F429 HydrophobicContact CE1-CZ 4.07Å; F386-F429 HydrophobicContact CE2-CD2 4.46Å; F386-F429 AromaticContact CE2-CE2 3.94Å; F386-F429 HydrophobicContact CE2-CE2 3.94Å; F386-F429 AromaticContact CE2-CZ 3.98Å; F386-F429 HydrophobicContact CE2-CZ 3.98Å; F386-F429 HydrophobicContact CG-CD1 4.32Å; F386-F429 HydrophobicContact CG-CE1 4.17Å; F386-F429 HydrophobicContact CG-CZ 4.42Å; F386-F429 AromaticContact CZ-CD2 3.57Å; F386-F429 HydrophobicContact CZ-CD2 3.57Å; F386-F429 HydrophobicContact CZ-CE1 4.41Å; F386-F429 AromaticContact CZ-CE2 3.44Å; F386-F429 HydrophobicContact CZ-CE2 3.44Å; F386-F429 VanDerWaalsContact CZ-CE2 3.44Å; F386-F429 HydrophobicContact CZ-CG 4.12Å; F386-F429 AromaticContact CZ-CZ 3.9Å; F386-F429 HydrophobicContact CZ-CZ 3.9Å; F429-P512 HydrophobicContact CE2-CG 3.77Å; F429-P512 HydrophobicContact CZ-CG 4.38Å
430	I	74.1	Confident	69.7	Low	46 Å²	46	46.6 Å²	46.6	24%	0.236	25%	0.245	C	C	.	.			trans	-115.3	154.6	178.5	60.3	172.4	0	0	0	111	S276 K416 L417 P428	S276-I430 WeakPolarHBondContact OG-CB 3.44Å; K416-I430 WeakPolarHBondContact CB-O 3.39Å; K416-I430 HydrophobicContact CD-CG1 4.1Å; L417-I430 PolarHBondContact N-O 2.84Å; P428-I430 HydrophobicContact CB-CG2 4.08Å; P428-I430 HydrophobicContact CG-CB 4.46Å; P428-I430 HydrophobicContact CG-CD1 3.96Å; P428-I430 HydrophobicContact CG-CG1 3.99Å; P428-I430 HydrophobicContact CG-CG2 3.76Å; P428-I430 PolarHBondContact O-N 3.11Å
431	W	82.8	Confident	70.3	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.019	25%	0.249	C	C	.	.			trans	-69.3	149.3	171.2	-54.3	96.4	0	0	0	110.6	L271 F272 S276 L277 M398 L417 M418	L271-W431 PolarHBondContact O-NE1 3.39Å; F272-W431 HydrophobicContact CD1-CH2 4.31Å; F272-W431 AromaticContact CD1-CZ2 3.85Å; F272-W431 HydrophobicContact CD1-CZ2 3.85Å; F272-W431 HydrophobicContact CD2-CZ2 4.3Å; F272-W431 AromaticContact CE1-CH2 3.62Å; F272-W431 HydrophobicContact CE1-CH2 3.62Å; F272-W431 AromaticContact CE1-CZ2 3.63Å; F272-W431 HydrophobicContact CE1-CZ2 3.63Å; F272-W431 HydrophobicContact CE2-CH2 4.15Å; F272-W431 HydrophobicContact CE2-CZ2 4.12Å; F272-W431 HydrophobicContact CG-CZ2 4.17Å; F272-W431 AromaticContact CZ-CH2 3.5Å; F272-W431 HydrophobicContact CZ-CH2 3.5Å; F272-W431 AromaticContact CZ-CZ2 3.76Å; F272-W431 HydrophobicContact CZ-CZ2 3.76Å; S276-W431 PolarHBondContact OG-N 2.97Å; S276-W431 VanDerWaalsContact OG-N 3.08Å; L277-W431 HydrophobicContact CB-CG 4.11Å; L277-W431 HydrophobicContact CD1-CD2 3.74Å; L277-W431 HydrophobicContact CD1-CE3 4.22Å; L277-W431 HydrophobicContact CD1-CG 3.88Å; L277-W431 HydrophobicContact CD1-CZ2 4.35Å; M398-W431 HydrophobicContact CE-CE3 3.88Å; M398-W431 HydrophobicContact CE-CH2 4.33Å; M398-W431 HydrophobicContact CE-CZ3 3.71Å; M398-W431 HydrophobicContact SD-CE3 3.73Å; M398-W431 HydrophobicContact SD-CZ3 3.5Å; M398-W431 WeakPolarHBondContact SD-CZ3 3.43Å; L417-W431 HydrophobicContact CB-CE3 4.33Å; L417-W431 HydrophobicContact CD2-CD2 3.96Å; L417-W431 HydrophobicContact CD2-CE3 4.03Å; L417-W431 HydrophobicContact CD2-CH2 3.68Å; L417-W431 HydrophobicContact CD2-CZ2 3.59Å; L417-W431 HydrophobicContact CD2-CZ3 3.89Å; L417-W431 HydrophobicContact CG-CZ3 4.39Å; M418-W431 HydrophobicContact CG-CE3 4.21Å; M418-W431 HydrophobicContact CG-CZ3 4.14Å; M418-W431 HydrophobicContact SD-CZ3 3.88Å
432	S	83.5	Confident	71.2	Confident	8 Å²	8	42.5 Å²	42.5	6%	0.056	23%	0.23	C	C	.	.			trans	-82.8	175.1	175.3	87.2	0	0	0	0	112	D401 C434 S435 R436	D401-S432 VanDerWaalsContact CG-OG 3.28Å; D401-S432 WeakPolarHBondContact OD1-CB 3.39Å; D401-S432 PolarHBondContact OD1-OG 2.96Å; D401-S432 WeakPolarHBondContact OD2-CB 3.46Å; D401-S432 PolarHBondContact OD2-OG 2.87Å; S432-C434 VanDerWaalsContact C-N 3.31Å; S432-C434 PolarHBondContact OG-N 3.06Å; S432-S435 PolarHBondContact N-OG 2.93Å; S432-S435 PolarHBondContact O-N 3.39Å; S432-S435 PolarHBondContact OG-N 3.35Å; S432-S435 PolarHBondContact OG-OG 2.87Å; S432-S435 VanDerWaalsContact OG-OG 3.07Å; S432-R436 PolarHBondContact O-N 2.03Å; S432-R436 VanDerWaalsContact O-N 3.1Å
433	A	81.3	Confident	72.6	Confident	58 Å²	58	41.3 Å²	41.3	48%	0.479	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-42.5	167.3	0	0	0	0	0	111.3	R436 D437	A433-R436 WeakPolarHBondContact O-CB 3.21Å; A433-R436 PolarHBondContact O-N 3.03Å; A433-D437 WeakPolarHBondContact O-CB 3.35Å; A433-D437 PolarHBondContact O-N 3.14Å
434	C	83.5	Confident	73.7	Confident	16 Å²	16	39.6 Å²	39.6	11%	0.108	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-42.5	177.3	-57.7	0	0	0	0	111.4	C407 S432 R436 D437 Y438	C407-C434 HydrophobicContact CB-CB 3.79Å; C407-C434 WeakPolarHBondContact CB-SG 3.34Å; C407-C434 WeakPolarHBondContact SG-CB 3.28Å; C407-C434 PolarHBondContact SG-N 2.9Å; C407-C434 CovalentContact SG-SG 2.04Å; C407-C434 PolarHBondContact SG-SG 3.44Å; S432-C434 VanDerWaalsContact C-N 3.31Å; S432-C434 PolarHBondContact OG-N 3.06Å; C434-R436 VanDerWaalsContact C-N 3.31Å; C434-R436 PolarHBondContact O-N 3.04Å; C434-D437 PolarHBondContact O-N 2.84Å; C434-Y438 HydrophobicContact CB-CD2 4.33Å; C434-Y438 HydrophobicContact CB-CE2 3.94Å; C434-Y438 WeakPolarHBondContact O-CB 3.49Å; C434-Y438 WeakPolarHBondContact O-CD2 3.47Å; C434-Y438 VanDerWaalsContact O-CG 3.27Å; C434-Y438 PolarHBondContact O-N 2.86Å
435	S	85.7	Confident	74.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-46.7	174.5	-41.1	0	0	0	0	111.4	D401 S432 I439	D401-S435 PolarHBondContact OD2-OG 3.12Å; S432-S435 PolarHBondContact N-OG 2.93Å; S432-S435 PolarHBondContact O-N 3.39Å; S432-S435 PolarHBondContact OG-N 3.35Å; S432-S435 PolarHBondContact OG-OG 2.87Å; S432-S435 VanDerWaalsContact OG-OG 3.07Å; S435-I439 WeakPolarHBondContact O-CG2 3.44Å; S435-I439 PolarHBondContact O-N 3.17Å
436	R	85.8	Confident	76.2	Confident	74 Å²	74	32.7 Å²	32.7	28%	0.279	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-45.9	175.9	172.7	-173.7	-53.5	176.4	9.3	112.1	S276 L277 S432 A433 C434 I439 T440	S276-R436 VanDerWaalsContact O-CZ 3.29Å; S276-R436 PolarHBondContact O-NE 3.19Å; S276-R436 PolarHBondContact O-NH2 2.78Å; L277-R436 WeakPolarHBondContact O-CG 3.38Å; S432-R436 PolarHBondContact O-N 2.03Å; S432-R436 VanDerWaalsContact O-N 3.1Å; A433-R436 WeakPolarHBondContact O-CB 3.21Å; A433-R436 PolarHBondContact O-N 3.03Å; C434-R436 VanDerWaalsContact C-N 3.31Å; C434-R436 PolarHBondContact O-N 3.04Å; R436-I439 WeakPolarHBondContact O-CG2 3.32Å; R436-T440 WeakPolarHBondContact O-CB 3.43Å; R436-T440 PolarHBondContact O-N 3.05Å; R436-T440 PolarHBondContact O-OG1 2.98Å
437	D	82.9	Confident	77.3	Confident	99 Å²	99	36.8 Å²	36.8	53%	0.529	21%	0.213	S	C	.	.	H	α-helix	trans	-70.6	-37.5	-176.6	-67.7	-18.7	0	0	0	111.4	A433 C434 S441	A433-D437 WeakPolarHBondContact O-CB 3.35Å; A433-D437 PolarHBondContact O-N 3.14Å; C434-D437 PolarHBondContact O-N 2.84Å; D437-S441 VanDerWaalsContact O-CB 3.25Å; D437-S441 WeakPolarHBondContact O-CB 3.29Å; D437-S441 PolarHBondContact O-N 3.44Å
438	Y	84.1	Confident	78.8	Confident	22 Å²	22	33.7 Å²	33.7	9%	0.086	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-55	173.1	-70.4	-48.7	0	0	0	111.7	W209 M398 N399 N405 C434 T440 S441 F442	W209-Y438 HydrophobicContact CD2-CE1 4.42Å; W209-Y438 HydrophobicContact CE3-CE1 4.25Å; W209-Y438 HydrophobicContact CH2-CD1 4.27Å; W209-Y438 HydrophobicContact CH2-CE1 4.07Å; W209-Y438 HydrophobicContact CZ2-CE1 4.24Å; W209-Y438 HydrophobicContact CZ3-CD1 4.31Å; W209-Y438 HydrophobicContact CZ3-CE1 4.07Å; M398-Y438 HydrophobicContact CB-CD2 4.23Å; N399-Y438 HydrophobicContact CB-CE2 3.97Å; N405-Y438 PolarHBondContact ND2-OH 3.13Å; C434-Y438 HydrophobicContact CB-CD2 4.33Å; C434-Y438 HydrophobicContact CB-CE2 3.94Å; C434-Y438 WeakPolarHBondContact O-CB 3.49Å; C434-Y438 WeakPolarHBondContact O-CD2 3.47Å; C434-Y438 VanDerWaalsContact O-CG 3.27Å; C434-Y438 PolarHBondContact O-N 2.86Å; Y438-T440 VanDerWaalsContact C-N 3.34Å; Y438-T440 PolarHBondContact O-N 2.73Å; Y438-S441 PolarHBondContact O-N 2.98Å; Y438-F442 WeakPolarHBondContact O-CB 3.45Å; Y438-F442 PolarHBondContact O-N 2.82Å
439	I	87.4	Confident	80	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-34.8	179.9	-169.2	168.5	0	0	0	112.3	L277 V281 F396 M398 S435 R436 F442 L443	L277-I439 HydrophobicContact CD1-CD1 4.14Å; L277-I439 HydrophobicContact CD1-CG2 3.83Å; L277-I439 HydrophobicContact CD2-CD1 4.43Å; L277-I439 HydrophobicContact CG-CG2 4.37Å; V281-I439 HydrophobicContact CG2-CD1 3.91Å; F396-I439 HydrophobicContact CB-CD1 4.16Å; F396-I439 HydrophobicContact CB-CG1 4.2Å; F396-I439 HydrophobicContact CD1-CD1 3.57Å; F396-I439 HydrophobicContact CD1-CG1 3.69Å; F396-I439 HydrophobicContact CD2-CD1 3.78Å; F396-I439 HydrophobicContact CE1-CD1 3.75Å; F396-I439 HydrophobicContact CE1-CG1 4.15Å; F396-I439 HydrophobicContact CE2-CD1 3.97Å; F396-I439 HydrophobicContact CG-CD1 3.58Å; F396-I439 HydrophobicContact CG-CG1 3.96Å; F396-I439 HydrophobicContact CZ-CD1 3.95Å; M398-I439 HydrophobicContact CE-CB 3.79Å; M398-I439 HydrophobicContact CE-CD1 4.07Å; M398-I439 HydrophobicContact CE-CG1 4.48Å; M398-I439 HydrophobicContact CE-CG2 4.03Å; S435-I439 WeakPolarHBondContact O-CG2 3.44Å; S435-I439 PolarHBondContact O-N 3.17Å; R436-I439 WeakPolarHBondContact O-CG2 3.32Å; I439-F442 PolarHBondContact O-N 3.2Å; I439-L443 HydrophobicContact CG1-CD1 3.96Å; I439-L443 HydrophobicContact CG1-CG 4.14Å; I439-L443 WeakPolarHBondContact O-CB 3.33Å; I439-L443 VanDerWaalsContact O-CG 3.26Å; I439-L443 WeakPolarHBondContact O-CG 3.38Å; I439-L443 PolarHBondContact O-N 2.73Å
440	T	83.1	Confident	80.9	Confident	28 Å²	28	33.1 Å²	33.1	17%	0.172	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-49.9	173.1	-66	0	0	0	0	110.4	N279 R436 Y438 L443 D444	N279-T440 PolarHBondContact ND2-OG1 2.84Å; R436-T440 WeakPolarHBondContact O-CB 3.43Å; R436-T440 PolarHBondContact O-N 3.05Å; R436-T440 PolarHBondContact O-OG1 2.98Å; Y438-T440 VanDerWaalsContact C-N 3.34Å; Y438-T440 PolarHBondContact O-N 2.73Å; T440-L443 PolarHBondContact O-N 2.8Å; T440-D444 VanDerWaalsContact O-CB 3.28Å; T440-D444 WeakPolarHBondContact O-CB 3.48Å; T440-D444 VanDerWaalsContact O-CG 3.31Å; T440-D444 PolarHBondContact O-N 3.25Å
441	S	79.9	Confident	81.5	Confident	57 Å²	57	31 Å²	31	40%	0.399	19%	0.187	S	C	.	.	H	α-helix	trans	-63.6	-40.9	177.3	-172.9	0	0	0	0	112.6	D437 Y438 S445	D437-S441 VanDerWaalsContact O-CB 3.25Å; D437-S441 WeakPolarHBondContact O-CB 3.29Å; D437-S441 PolarHBondContact O-N 3.44Å; Y438-S441 PolarHBondContact O-N 2.98Å; S441-S445 WeakPolarHBondContact O-CB 3.12Å; S441-S445 PolarHBondContact O-N 2.9Å; S441-S445 PolarHBondContact O-OG 3.49Å
442	F	83.8	Confident	81.3	Confident	13 Å²	13	33.5 Å²	33.5	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-46	178	-174.8	-91.3	0	0	0	112.3	M367 F396 Y438 I439 L447 G448	M367-F442 HydrophobicContact CB-CE1 4.08Å; M367-F442 HydrophobicContact CB-CZ 3.95Å; F396-F442 HydrophobicContact CD1-CD1 4.01Å; F396-F442 HydrophobicContact CD1-CE1 4.17Å; F396-F442 WeakPolarHBondContact O-CB 3.4Å; F396-F442 WeakPolarHBondContact O-CD2 3Å; F396-F442 VanDerWaalsContact O-CG 3.26Å; F396-F442 WeakPolarHBondContact O-CG 3.49Å; Y438-F442 WeakPolarHBondContact O-CB 3.45Å; Y438-F442 PolarHBondContact O-N 2.82Å; I439-F442 PolarHBondContact O-N 3.2Å; F442-L447 HydrophobicContact CD1-CB 4.14Å; F442-L447 HydrophobicContact CD2-CB 3.7Å; F442-L447 HydrophobicContact CD2-CD1 3.64Å; F442-L447 HydrophobicContact CD2-CG 4.32Å; F442-L447 HydrophobicContact CE1-CB 3.98Å; F442-L447 HydrophobicContact CE2-CB 3.52Å; F442-L447 HydrophobicContact CE2-CD1 3.89Å; F442-L447 HydrophobicContact CE2-CG 4.35Å; F442-L447 HydrophobicContact CG-CB 4Å; F442-L447 HydrophobicContact CG-CD1 4.39Å; F442-L447 HydrophobicContact CZ-CB 3.66Å; F442-L447 WeakPolarHBondContact O-CB 3.34Å; F442-L447 PolarHBondContact O-N 2.84Å; F442-L447 VanDerWaalsContact O-N 3.15Å; F442-G448 PolarHBondContact O-N 3.39Å
443	L	84.9	Confident	80.8	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-45.2	177.4	-67.5	176.1	0	0	0	111.8	R236 N279 F396 I439 T440 S445 G446 L451	R236-L443 HydrophobicContact CG-CD1 4.1Å; R236-L443 HydrophobicContact CG-CD2 3.89Å; N279-L443 HydrophobicContact CB-CD1 4.22Å; F396-L443 HydrophobicContact CE1-CD2 4.32Å; I439-L443 HydrophobicContact CG1-CD1 3.96Å; I439-L443 HydrophobicContact CG1-CG 4.14Å; I439-L443 WeakPolarHBondContact O-CB 3.33Å; I439-L443 VanDerWaalsContact O-CG 3.26Å; I439-L443 WeakPolarHBondContact O-CG 3.38Å; I439-L443 PolarHBondContact O-N 2.73Å; T440-L443 PolarHBondContact O-N 2.8Å; L443-S445 PolarHBondContact O-N 2.89Å; L443-G446 PolarHBondContact O-N 2.84Å; L443-L451 HydrophobicContact CD2-CD1 4.23Å
444	D	76.4	Confident	80.1	Confident	20 Å²	20	39 Å²	39	11%	0.107	22%	0.22	C	C	.	.	H	α-helix	trans	-68.6	-32.8	179.4	-73.2	-13.7	0	0	0	111.8	R230 T440 G446 R588	R230-D444 HydrophobicContact CB-CB 4.09Å; R230-D444 WeakPolarHBondContact CD-O 3.44Å; R230-D444 WeakPolarHBondContact CG-O 3.16Å; R230-D444 PolarHBondContact NE-O 2.84Å; T440-D444 VanDerWaalsContact O-CB 3.28Å; T440-D444 WeakPolarHBondContact O-CB 3.48Å; T440-D444 VanDerWaalsContact O-CG 3.31Å; T440-D444 PolarHBondContact O-N 3.25Å; D444-G446 PolarHBondContact O-N 3.21Å; D444-G446 VanDerWaalsContact O-N 3.14Å; D444-R588 IonicContact OD1-CZ 2.68Å; D444-R588 IonicContact OD1-NH2 3.04Å; D444-R588 PolarHBondContact OD1-NH2 3.08Å; D444-R588 IonicContact OD2-CZ 3.75Å; D444-R588 IonicContact OD2-NE 2.62Å; D444-R588 IonicContact OD2-NH2 2.9Å; D444-R588 PolarHBondContact OD2-NH2 3.01Å
445	S	69.6	Low	79.1	Confident	41 Å²	41	38.5 Å²	38.5	29%	0.287	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-6.2	175.2	-62	0	0	0	0	113.8	S441 L443 L447	S441-S445 WeakPolarHBondContact O-CB 3.12Å; S441-S445 PolarHBondContact O-N 2.9Å; S441-S445 PolarHBondContact O-OG 3.49Å; L443-S445 PolarHBondContact O-N 2.89Å; S445-L447 VanDerWaalsContact C-N 3.3Å
446	G	71.3	Confident	77.6	Confident	21 Å²	21	41.1 Å²	41.1	22%	0.216	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	9.9	-176.9	0	0	0	0	0	114.4	L443 D444 S449	L443-G446 PolarHBondContact O-N 2.84Å; D444-G446 PolarHBondContact O-N 3.21Å; D444-G446 VanDerWaalsContact O-N 3.14Å; G446-S449 WeakPolarHBondContact O-CB 3.49Å; G446-S449 PolarHBondContact O-N 3.04Å; G446-S449 PolarHBondContact O-OG 2.79Å
447	L	73.8	Confident	75.9	Confident	92 Å²	92	40.7 Å²	40.7	48%	0.482	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.7	177.2	-60.7	174.6	0	0	0	110.7	C368 F442 S445 S449	C368-L447 VanDerWaalsContact CB-O 3.29Å; C368-L447 WeakPolarHBondContact CB-O 3.28Å; C368-L447 PolarHBondContact SG-O 3.49Å; F442-L447 HydrophobicContact CD1-CB 4.14Å; F442-L447 HydrophobicContact CD2-CB 3.7Å; F442-L447 HydrophobicContact CD2-CD1 3.64Å; F442-L447 HydrophobicContact CD2-CG 4.32Å; F442-L447 HydrophobicContact CE1-CB 3.98Å; F442-L447 HydrophobicContact CE2-CB 3.52Å; F442-L447 HydrophobicContact CE2-CD1 3.89Å; F442-L447 HydrophobicContact CE2-CG 4.35Å; F442-L447 HydrophobicContact CG-CB 4Å; F442-L447 HydrophobicContact CG-CD1 4.39Å; F442-L447 HydrophobicContact CZ-CB 3.66Å; F442-L447 WeakPolarHBondContact O-CB 3.34Å; F442-L447 PolarHBondContact O-N 2.84Å; F442-L447 VanDerWaalsContact O-N 3.15Å; S445-L447 VanDerWaalsContact C-N 3.3Å; L447-S449 PolarHBondContact O-N 2.98Å
448	G	81.3	Confident	74.1	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.021	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	38.5	170.6	0	0	0	0	0	114.4	F442	F442-G448 PolarHBondContact O-N 3.39Å
449	S	80.3	Confident	71.9	Confident	50 Å²	50	44 Å²	44	35%	0.35	25%	0.246	S	C	.	.			trans	-77	-23.7	-173.8	39.6	0	0	0	0	114.6	G446 L447 N452	G446-S449 WeakPolarHBondContact O-CB 3.49Å; G446-S449 PolarHBondContact O-N 3.04Å; G446-S449 PolarHBondContact O-OG 2.79Å; L447-S449 PolarHBondContact O-N 2.98Å; S449-N452 WeakPolarHBondContact CA-ND2 3.4Å; S449-N452 PolarHBondContact O-ND2 2.94Å
450	C	83.1	Confident	69.6	Low	38 Å²	38	45.6 Å²	45.6	26%	0.257	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.4	-47.1	172.1	59.1	0	0	0	0	111.3	C368 N452 N453	C368-C450 VanDerWaalsContact CA-SG 3.54Å; C368-C450 HydrophobicContact CB-CB 3.89Å; C368-C450 WeakPolarHBondContact CB-SG 3.4Å; C368-C450 WeakPolarHBondContact SG-CB 3.44Å; C368-C450 PolarHBondContact SG-N 2.94Å; C368-C450 CovalentContact SG-SG 2.04Å; C368-C450 PolarHBondContact SG-SG 2.83Å; C450-N452 PolarHBondContact O-N 2.84Å; C450-N453 PolarHBondContact O-N 2.9Å; C450-N453 PolarHBondContact O-OD1 2.71Å
451	L	85.9	Confident	67.3	Low	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.3	11.4	-174.1	-45	-179.9	0	0	0	116.9	R236 Y237 V238 D338 M367 F396 L443	R236-L451 WeakPolarHBondContact CA-O 3.03Å; R236-L451 HydrophobicContact CB-CB 4.26Å; R236-L451 WeakPolarHBondContact CD-O 3.39Å; Y237-L451 PolarHBondContact N-O 3.49Å; Y237-L451 VanDerWaalsContact O-CA 3.26Å; Y237-L451 WeakPolarHBondContact O-CA 3.39Å; Y237-L451 WeakPolarHBondContact O-CB 3.43Å; Y237-L451 WeakPolarHBondContact O-CD2 3.27Å; V238-L451 HydrophobicContact CG2-CD1 4.44Å; V238-L451 HydrophobicContact CG2-CD2 4.21Å; D338-L451 HydrophobicContact CB-CD2 3.77Å; M367-L451 HydrophobicContact CG-CD1 3.94Å; M367-L451 HydrophobicContact CG-CD2 3.94Å; M367-L451 HydrophobicContact CG-CG 4.32Å; M367-L451 HydrophobicContact SD-CD2 4.09Å; F396-L451 HydrophobicContact CD1-CD1 4.49Å; F396-L451 HydrophobicContact CE1-CD1 3.41Å; F396-L451 VanDerWaalsContact CE1-CD1 3.41Å; F396-L451 HydrophobicContact CZ-CD1 3.83Å; L443-L451 HydrophobicContact CD2-CD1 4.23Å
452	N	80	Confident	65.4	Low	58 Å²	58	45.8 Å²	45.8	31%	0.31	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-93.9	-13.1	178.3	-65.8	-64.8	0	0	0	112.8	R236 S449 C450	R236-N452 PolarHBondContact NE-OD1 2.98Å; R236-N452 PolarHBondContact NH1-OD1 3.42Å; R236-N452 VanDerWaalsContact NH1-OD1 3.11Å; R236-N452 PolarHBondContact NH2-OD1 3.26Å; S449-N452 WeakPolarHBondContact CA-ND2 3.4Å; S449-N452 PolarHBondContact O-ND2 2.94Å; C450-N452 PolarHBondContact O-N 2.84Å
453	N	71.7	Confident	63.1	Low	54 Å²	54	48.1 Å²	48.1	29%	0.289	26%	0.262	S	S	.	.	S	Bend	trans	-63.2	135.5	168.9	56.6	-21.6	0	0	0	109.9	Y237 E239 C450 P455	Y237-N453 WeakPolarHBondContact CB-O 3.27Å; Y237-N453 VanDerWaalsContact CD2-O 3.23Å; Y237-N453 WeakPolarHBondContact CD2-O 3.37Å; E239-N453 PolarHBondContact OE1-ND2 2.8Å; E239-N453 PolarHBondContact OE2-ND2 3.5Å; C450-N453 PolarHBondContact O-N 2.9Å; C450-N453 PolarHBondContact O-OD1 2.71Å; N453-P455 VanDerWaalsContact O-CD 3.26Å; N453-P455 WeakPolarHBondContact O-CD 3.37Å
454	M	67.1	Low	60.9	Low	129 Å²	129	50.7 Å²	50.7	64%	0.635	28%	0.278	S	S	*	.			trans	-94.7	105.2	167.5	-174.9	177.5	-178	0	0	108.1	Y237	Y237-M454 HydrophobicContact CD2-CB 4.28Å; Y237-M454 HydrophobicContact CD2-CG 4.38Å; Y237-M454 HydrophobicContact CE2-CB 4.09Å; Y237-M454 HydrophobicContact CE2-CG 3.87Å
455	P	62.5	Low	59.6	Low	4 Å²	4	51.9 Å²	51.9	3%	0.026	29%	0.286	C	S	.	.			trans	-61.6	148.2	176.8	22.9	-32.3	0	0	0	110.6	Y237 E239 V284 N453 K457	Y237-P455 HydrophobicContact CD1-CG 4.33Å; Y237-P455 HydrophobicContact CG-CG 4.32Å; E239-P455 HydrophobicContact CG-CB 4.29Å; E239-P455 HydrophobicContact CG-CG 4.34Å; V284-P455 HydrophobicContact CB-CG 4.34Å; V284-P455 HydrophobicContact CG1-CG 4.16Å; V284-P455 HydrophobicContact CG2-CG 4.13Å; N453-P455 VanDerWaalsContact O-CD 3.26Å; N453-P455 WeakPolarHBondContact O-CD 3.37Å; P455-K457 VanDerWaalsContact C-N 3.34Å; P455-K457 PolarHBondContact O-N 3.15Å
456	P	54.2	Low	58.7	Low	55 Å²	55	50.1 Å²	50.1	36%	0.357	27%	0.274	S	S	.	.			trans	-66	92.8	171.6	27.1	-33.1	0	0	0	109.9	R98	R98-P456 HydrophobicContact CB-CB 4.43Å; R98-P456 WeakPolarHBondContact CB-O 3.12Å; R98-P456 HydrophobicContact CG-CB 4.42Å; R98-P456 WeakPolarHBondContact CG-O 3.48Å; R98-P456 PolarHBondContact N-O 2.83Å
457	K	49.9	Very low	58	Low	65 Å²	65	49.7 Å²	49.7	28%	0.283	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-69.9	141.8	-180	-57.8	-179.1	-168.7	171.4	0	112.3	R98 Y237 P455	R98-K457 VanDerWaalsContact CG-O 3.26Å; R98-K457 WeakPolarHBondContact CG-O 3.14Å; R98-K457 PolarHBondContact NE-O 3.48Å; Y237-K457 WeakPolarHBondContact OH-CE 3.36Å; Y237-K457 PolarHBondContact OH-NZ 3.23Å; P455-K457 VanDerWaalsContact C-N 3.34Å; P455-K457 PolarHBondContact O-N 3.15Å
458	Q	44.9	Very low	57.4	Low	58 Å²	58	45.3 Å²	45.3	27%	0.271	24%	0.244	S	C	.	.			trans	-97.9	148	169.1	-159.9	169.8	-39.8	0	0	111.2	L96 S97 R98 F460	L96-Q458 WeakPolarHBondContact O-CA 3.32Å; L96-Q458 WeakPolarHBondContact O-CB 2.83Å; L96-Q458 PolarHBondContact O-N 2.87Å; S97-Q458 PolarHBondContact O-OE1 3.12Å; R98-Q458 HydrophobicContact CG-CB 4.1Å; R98-Q458 PolarHBondContact O-OE1 2.05Å; Q458-F460 PolarHBondContact O-N 3.12Å
459	E	38.5	Very low	56.2	Low	132 Å²	132	47.7 Å²	47.7	62%	0.617	26%	0.255	S	S	*	.			trans	-69.1	77.6	160.3	-81.7	174.3	-126.5	0	0	110.4	R72	R72-E459 IonicContact NH2-OE2 3.27Å; R72-E459 PolarHBondContact NH2-OE2 3.2Å
460	F	38.9	Very low	54.9	Low	34 Å²	34	47.9 Å²	47.9	15%	0.149	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-93.9	118.2	163.5	160.7	-89	0	0	0	110.7	G93 G94 L95 L96 Y116 Q458 Y462	G93-F460 CarbonylContact C-O 3.49Å; G94-F460 CarbonylContact C-O 3.58Å; G94-F460 WeakPolarHBondContact CA-O 3.49Å; G94-F460 VanDerWaalsContact N-C 3.26Å; G94-F460 PolarHBondContact N-O 2.83Å; L95-F460 HydrophobicContact CB-CD1 3.39Å; L95-F460 HydrophobicContact CB-CE1 3.87Å; L95-F460 HydrophobicContact CB-CG 4.37Å; L95-F460 HydrophobicContact CD2-CD1 4.4Å; L95-F460 HydrophobicContact CD2-CE1 4.07Å; L95-F460 HydrophobicContact CG-CD1 4.48Å; L95-F460 PolarHBondContact N-O 2.71Å; L96-F460 HydrophobicContact CB-CB 3.89Å; L96-F460 HydrophobicContact CB-CG 4.36Å; L96-F460 HydrophobicContact CD1-CB 3.82Å; L96-F460 HydrophobicContact CD1-CD1 4.28Å; L96-F460 HydrophobicContact CD1-CD2 3.28Å; L96-F460 HydrophobicContact CD1-CE2 3.86Å; L96-F460 HydrophobicContact CD1-CG 3.52Å; L96-F460 HydrophobicContact CG-CB 3.74Å; L96-F460 HydrophobicContact CG-CD1 4.03Å; L96-F460 HydrophobicContact CG-CD2 3.94Å; L96-F460 HydrophobicContact CG-CG 3.62Å; Y116-F460 HydrophobicContact CD1-CD2 4.43Å; Y116-F460 AromaticContact CE1-CD2 3.91Å; Y116-F460 HydrophobicContact CE1-CD2 3.91Å; Y116-F460 AromaticContact CE1-CE2 3.64Å; Y116-F460 HydrophobicContact CE1-CE2 3.64Å; Q458-F460 PolarHBondContact O-N 3.12Å; F460-Y462 PolarHBondContact O-N 3.45Å
461	V	35.7	Very low	53.8	Low	24 Å²	24	47.8 Å²	47.8	15%	0.145	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-72.8	132.5	178.9	90.3	0	0	0	0	113.9	Q92	Q92-V461 VanDerWaalsContact C-CB 3.47Å; Q92-V461 HydrophobicContact CB-CB 3.67Å; Q92-V461 HydrophobicContact CB-CG1 4.12Å; Q92-V461 HydrophobicContact CB-CG2 3.42Å; Q92-V461 VanDerWaalsContact CB-CG2 3.42Å; Q92-V461 HydrophobicContact CG-CB 4.24Å; Q92-V461 HydrophobicContact CG-CG2 3.41Å; Q92-V461 VanDerWaalsContact CG-CG2 3.41Å
462	Y	38.9	Very low	52.7	Low	65 Å²	65	49.4 Å²	49.4	26%	0.255	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.6	146.5	-51.5	-76.6	0	0	0	109.3	L95 N266 F460 T464	L95-Y462 HydrophobicContact CB-CD1 4.48Å; L95-Y462 HydrophobicContact CB-CE1 3.71Å; L95-Y462 HydrophobicContact CD1-CE1 3.95Å; L95-Y462 WeakPolarHBondContact CD1-OH 3.45Å; L95-Y462 HydrophobicContact CD2-CE1 4.07Å; L95-Y462 HydrophobicContact CG-CE1 4.1Å; N266-Y462 HydrophobicContact CB-CD1 4.35Å; N266-Y462 HydrophobicContact CB-CE1 4.48Å; N266-Y462 WeakPolarHBondContact OD1-CD1 3.38Å; F460-Y462 PolarHBondContact O-N 3.45Å; Y462-T464 PolarHBondContact O-N 2.02Å; Y462-T464 VanDerWaalsContact O-N 3.14Å
463	P	36.8	Very low	52.3	Low	63 Å²	63	47.2 Å²	47.2	41%	0.409	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-48	127.8	161.1	-24.5	33.9	0	0	0	108.9	T465	P463-T465 CarbonylContact C-O 3.56Å; P463-T465 WeakPolarHBondContact CB-OG1 3.4Å; P463-T465 PolarHBondContact O-N 3.46Å
464	T	38.6	Very low	52.1	Low	60 Å²	60	46 Å²	46	37%	0.368	25%	0.246	S	C	.	.	S	Bend	trans	-66.2	-23	178.5	55.3	0	0	0	0	111	Q92 Y462 R540	Q92-T464 VanDerWaalsContact NE2-CG2 3.31Å; Y462-T464 PolarHBondContact O-N 2.02Å; Y462-T464 VanDerWaalsContact O-N 3.14Å; T464-R540 PolarHBondContact O-NH1 3.4Å; T464-R540 PolarHBondContact O-NH2 3.24Å
465	T	47.7	Very low	52	Low	44 Å²	44	42.3 Å²	42.3	27%	0.27	23%	0.227	S	C	.	.	S	Bend	trans	-56.6	122	158.4	28.9	0	0	0	0	111.6	P463 Q469	P463-T465 CarbonylContact C-O 3.56Å; P463-T465 WeakPolarHBondContact CB-OG1 3.4Å; P463-T465 PolarHBondContact O-N 3.46Å; T465-Q469 VanDerWaalsContact CA-OE1 3.27Å; T465-Q469 HydrophobicContact CG2-CB 3.75Å; T465-Q469 HydrophobicContact CG2-CG 4.49Å
466	A	52.4	Low	52.3	Low	5 Å²	5	42.5 Å²	42.5	4%	0.041	23%	0.228	C	C	.	.			trans	-68.9	159.6	173.1	0	0	0	0	0	110.8	G468 Q469 E515 W528	A466-G468 PolarHBondContact O-N 3.41Å; A466-Q469 WeakPolarHBondContact O-CB 3.48Å; A466-Q469 PolarHBondContact O-N 2.97Å; A466-E515 CarbonylContact C-O 3.59Å; A466-E515 HydrophobicContact CB-CB 4.24Å; A466-E515 WeakPolarHBondContact CB-O 3.26Å; A466-W528 HydrophobicContact CB-CZ3 4.43Å
467	P	55.3	Low	53.1	Low	12 Å²	12	39.9 Å²	39.9	8%	0.078	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-30.7	-167.3	-26.3	35.1	0	0	0	114.7	I267 L382 Q469 A470 Y471 A514	I267-P467 HydrophobicContact CD1-CB 4.27Å; I267-P467 HydrophobicContact CD1-CG 4.06Å; I267-P467 HydrophobicContact CG1-CG 3.94Å; L382-P467 HydrophobicContact CD1-CB 4.04Å; P467-Q469 VanDerWaalsContact C-N 3.3Å; P467-Q469 PolarHBondContact O-N 2.81Å; P467-A470 PolarHBondContact O-N 3.17Å; P467-Y471 WeakPolarHBondContact O-CD2 3.39Å; P467-Y471 PolarHBondContact O-N 2.81Å; P467-A514 HydrophobicContact CB-CB 4.24Å
468	G	60.8	Low	54.2	Low	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71.4	-16.5	175.2	0	0	0	0	0	115.5	A466 Y471 E515 G516 T517	A466-G468 PolarHBondContact O-N 3.41Å; G468-Y471 CarbonylContact C-O 2.87Å; G468-Y471 VanDerWaalsContact CA-O 3.26Å; G468-Y471 WeakPolarHBondContact CA-O 3.28Å; G468-Y471 CarbonylContact O-C 3.59Å; G468-E515 WeakPolarHBondContact CA-O 3.32Å; G468-E515 PolarHBondContact N-O 3.33Å; G468-G516 CarbonylContact C-O 3.6Å; G468-T517 WeakPolarHBondContact CA-OG1 3.46Å; G468-T517 WeakPolarHBondContact O-CA 3.29Å
469	Q	56.5	Low	55.2	Low	51 Å²	51	38.4 Å²	38.4	24%	0.238	20%	0.202	C	C	.	.	H	α-helix	trans	-82.6	-33.1	172.4	-62.6	177.7	-78.2	0	0	111.3	T465 A466 P467 G516 W528	T465-Q469 VanDerWaalsContact CA-OE1 3.27Å; T465-Q469 HydrophobicContact CG2-CB 3.75Å; T465-Q469 HydrophobicContact CG2-CG 4.49Å; A466-Q469 WeakPolarHBondContact O-CB 3.48Å; A466-Q469 PolarHBondContact O-N 2.97Å; P467-Q469 VanDerWaalsContact C-N 3.3Å; P467-Q469 PolarHBondContact O-N 2.81Å; Q469-G516 WeakPolarHBondContact CG-O 3.41Å; Q469-W528 HydrophobicContact CG-CE3 4.26Å
470	A	52.9	Low	56.6	Low	55 Å²	55	32.9 Å²	32.9	46%	0.455	18%	0.176	S	C	.	.	H	α-helix	trans	-76.2	-41.1	173	0	0	0	0	0	111.8	P467	P467-A470 PolarHBondContact O-N 3.17Å
471	Y	60.8	Low	58.1	Low	36 Å²	36	32.7 Å²	32.7	14%	0.141	17%	0.174	C	C	.	.	S	Bend	trans	-126.8	104.3	-179.4	-46.8	-71	0	0	0	108.8	Q259 A263 L382 P467 G468 E475 Q476 F479	Q259-Y471 VanDerWaalsContact C-OH 3.3Å; Q259-Y471 PolarHBondContact O-OH 3.29Å; A263-Y471 HydrophobicContact CB-CE2 3.61Å; L382-Y471 HydrophobicContact CD1-CD2 4.1Å; L382-Y471 HydrophobicContact CD2-CD2 4.39Å; P467-Y471 WeakPolarHBondContact O-CD2 3.39Å; P467-Y471 PolarHBondContact O-N 2.81Å; G468-Y471 CarbonylContact C-O 2.87Å; G468-Y471 VanDerWaalsContact CA-O 3.26Å; G468-Y471 WeakPolarHBondContact CA-O 3.28Å; G468-Y471 CarbonylContact O-C 3.59Å; Y471-E475 HydrophobicContact CD1-CG 4.11Å; Y471-Q476 PolarHBondContact O-NE2 3.19Å; Y471-F479 AromaticContact CD1-CE2 3.68Å; Y471-F479 HydrophobicContact CD1-CE2 3.68Å; Y471-F479 AromaticContact CD1-CZ 3.57Å; Y471-F479 HydrophobicContact CD1-CZ 3.57Å; Y471-F479 HydrophobicContact CD2-CE2 4.43Å; Y471-F479 HydrophobicContact CE1-CE2 4.26Å; Y471-F479 AromaticContact CE1-CZ 3.88Å; Y471-F479 HydrophobicContact CE1-CZ 3.88Å; Y471-F479 AromaticContact CG-CE2 3.76Å; Y471-F479 HydrophobicContact CG-CE2 3.76Å; Y471-F479 HydrophobicContact CG-CZ 4.14Å
472	D	61.8	Low	59.4	Low	34 Å²	34	32.2 Å²	32.2	18%	0.182	17%	0.174	C	C	.	.			trans	-73	-175.8	-178.8	60.1	52	0	0	0	113.3	R184 D474 E475 Q476	R184-D472 IonicContact CZ-OD2 2.71Å; R184-D472 IonicContact NE-OD2 3.57Å; R184-D472 PolarHBondContact NE-OD2 3.46Å; R184-D472 IonicContact NH2-OD2 3.82Å; R184-D472 PolarHBondContact NH2-OD2 2.54Å; D472-D474 VanDerWaalsContact C-N 3.26Å; D472-D474 PolarHBondContact O-N 2.77Å; D472-D474 WeakPolarHBondContact OD1-CB 3.26Å; D472-D474 PolarHBondContact OD1-N 3.23Å; D472-E475 WeakPolarHBondContact O-CB 3.3Å; D472-E475 PolarHBondContact O-N 2.97Å; D472-E475 VanDerWaalsContact O-N 3.16Å; D472-E475 PolarHBondContact OD1-N 3.15Å; D472-E475 VanDerWaalsContact OD1-N 3.12Å; D472-Q476 WeakPolarHBondContact O-CB 3.13Å; D472-Q476 VanDerWaalsContact O-CG 3.31Å; D472-Q476 WeakPolarHBondContact O-CG 3.22Å; D472-Q476 PolarHBondContact O-N 2.04Å; D472-Q476 PolarHBondContact O-NE2 3.49Å
473	A	72.8	Confident	60.5	Low	11 Å²	11	35.3 Å²	35.3	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-30.2	-177.7	0	0	0	0	0	113.4	C477 Q487 V493 L497 T517	A473-C477 PolarHBondContact O-N 3.27Å; A473-C477 PolarHBondContact O-SG 2.99Å; A473-Q487 HydrophobicContact CB-CB 4.16Å; A473-Q487 HydrophobicContact CB-CG 3.58Å; A473-V493 HydrophobicContact CB-CG2 3.76Å; A473-L497 HydrophobicContact CB-CD1 3.72Å; A473-T517 HydrophobicContact CB-CG2 3.76Å
474	D	67.1	Low	61.7	Low	30 Å²	30	39.9 Å²	39.9	16%	0.16	20%	0.203	C	C	.	.	H	α-helix	trans	-71.3	-45.1	174.2	-93.7	7.8	0	0	0	109.1	Y189 D472 R478 R486 Q487	Y189-D474 PolarHBondContact N-OD2 2.78Å; D472-D474 VanDerWaalsContact C-N 3.26Å; D472-D474 PolarHBondContact O-N 2.77Å; D472-D474 WeakPolarHBondContact OD1-CB 3.26Å; D472-D474 PolarHBondContact OD1-N 3.23Å; D474-R478 WeakPolarHBondContact O-CG 3.13Å; D474-R478 PolarHBondContact O-N 3.02Å; D474-R478 VanDerWaalsContact O-N 3.13Å; D474-R486 HydrophobicContact CB-CB 3.99Å; D474-R486 HydrophobicContact CB-CG 3.73Å; D474-R486 WeakPolarHBondContact O-CA 3.2Å; D474-R486 WeakPolarHBondContact O-CG 3.27Å; D474-R486 WeakPolarHBondContact OD1-CB 3.14Å; D474-Q487 WeakPolarHBondContact OD1-CB 3.45Å; D474-Q487 PolarHBondContact OD1-N 3.47Å
475	E	65.9	Low	63.1	Low	51 Å²	51	37.1 Å²	37.1	24%	0.238	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-46.6	177.2	-145.3	64.2	-109.8	0	0	113.3	Y471 D472 C477 R478 F479	Y471-E475 HydrophobicContact CD1-CG 4.11Å; D472-E475 WeakPolarHBondContact O-CB 3.3Å; D472-E475 PolarHBondContact O-N 2.97Å; D472-E475 VanDerWaalsContact O-N 3.16Å; D472-E475 PolarHBondContact OD1-N 3.15Å; D472-E475 VanDerWaalsContact OD1-N 3.12Å; E475-C477 PolarHBondContact O-N 2.77Å; E475-R478 WeakPolarHBondContact O-CB 3.18Å; E475-R478 PolarHBondContact O-N 2.92Å; E475-R478 VanDerWaalsContact OE1-CD 3.31Å; E475-R478 WeakPolarHBondContact OE1-CD 3.11Å; E475-R478 IonicContact OE1-CZ 2.86Å; E475-R478 IonicContact OE1-NE 3.18Å; E475-R478 IonicContact OE1-NH1 2.75Å; E475-R478 PolarHBondContact OE1-NH1 3.49Å; E475-R478 IonicContact OE2-CZ 2.75Å; E475-R478 IonicContact OE2-NH1 3.85Å; E475-R478 PolarHBondContact OE2-NH1 2.86Å; E475-R478 IonicContact OE2-NH2 3.73Å; E475-F479 HydrophobicContact CG-CE2 4.17Å; E475-F479 HydrophobicContact CG-CZ 3.96Å; E475-F479 WeakPolarHBondContact O-CD2 3.41Å; E475-F479 PolarHBondContact O-N 2.85Å; E475-F479 VanDerWaalsContact O-N 3.16Å
476	Q	68.3	Low	64.6	Low	7 Å²	7	37.6 Å²	37.6	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-42	179.6	-73.6	166.9	55.1	0	0	112.6	L382 Y471 D472 Q480 L497 T517	L382-Q476 HydrophobicContact CD1-CG 3.93Å; L382-Q476 HydrophobicContact CG-CG 4.48Å; Y471-Q476 PolarHBondContact O-NE2 3.19Å; D472-Q476 WeakPolarHBondContact O-CB 3.13Å; D472-Q476 VanDerWaalsContact O-CG 3.31Å; D472-Q476 WeakPolarHBondContact O-CG 3.22Å; D472-Q476 PolarHBondContact O-N 2.04Å; D472-Q476 PolarHBondContact O-NE2 3.49Å; Q476-Q480 PolarHBondContact O-N 3.39Å; Q476-L497 HydrophobicContact CB-CD2 3.59Å; Q476-T517 PolarHBondContact NE2-OG1 3.34Å
477	C	70.1	Confident	65.9	Low	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.7	-35.4	174.1	-61.1	0	0	0	0	111	A473 E475 F479 Q480 Y481 S485 R486 C499	A473-C477 PolarHBondContact O-N 3.27Å; A473-C477 PolarHBondContact O-SG 2.99Å; E475-C477 PolarHBondContact O-N 2.77Å; C477-F479 PolarHBondContact O-N 2.68Å; C477-Q480 PolarHBondContact O-N 2.87Å; C477-Q480 VanDerWaalsContact O-N 3.11Å; C477-Y481 HydrophobicContact CB-CD2 4.26Å; C477-Y481 HydrophobicContact CB-CE2 4.17Å; C477-Y481 WeakPolarHBondContact O-CD2 3.35Å; C477-Y481 PolarHBondContact O-N 3.29Å; C477-S485 CarbonylContact C-O 3.21Å; C477-S485 PolarHBondContact O-OG 2.95Å; C477-R486 WeakPolarHBondContact CB-O 3.1Å; C477-R486 PolarHBondContact SG-O 3.19Å; C477-C499 HydrophobicContact CB-CB 3.78Å; C477-C499 WeakPolarHBondContact CB-SG 3.4Å; C477-C499 WeakPolarHBondContact SG-CB 3.3Å; C477-C499 CovalentContact SG-SG 2.04Å; C477-C499 PolarHBondContact SG-SG 3.01Å
478	R	72.6	Confident	67.1	Low	68 Å²	68	37.9 Å²	37.9	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-56.8	-49.8	175	-68.2	173.1	-152.2	160	8.2	111.7	Y251 D474 E475 Q480 G482 S485 R486	Y251-R478 PolarHBondContact OH-O 3.44Å; D474-R478 WeakPolarHBondContact O-CG 3.13Å; D474-R478 PolarHBondContact O-N 3.02Å; D474-R478 VanDerWaalsContact O-N 3.13Å; E475-R478 WeakPolarHBondContact O-CB 3.18Å; E475-R478 PolarHBondContact O-N 2.92Å; E475-R478 VanDerWaalsContact OE1-CD 3.31Å; E475-R478 WeakPolarHBondContact OE1-CD 3.11Å; E475-R478 IonicContact OE1-CZ 2.86Å; E475-R478 IonicContact OE1-NE 3.18Å; E475-R478 IonicContact OE1-NH1 2.75Å; E475-R478 PolarHBondContact OE1-NH1 3.49Å; E475-R478 IonicContact OE2-CZ 2.75Å; E475-R478 IonicContact OE2-NH1 3.85Å; E475-R478 PolarHBondContact OE2-NH1 2.86Å; E475-R478 IonicContact OE2-NH2 3.73Å; R478-Q480 PolarHBondContact O-N 2.89Å; R478-G482 CarbonylContact O-C 3.58Å; R478-G482 VanDerWaalsContact O-CA 3.32Å; R478-G482 WeakPolarHBondContact O-CA 3.1Å; R478-G482 PolarHBondContact O-N 2.8Å; R478-S485 WeakPolarHBondContact CA-O 3.43Å; R478-S485 WeakPolarHBondContact CG-O 3.43Å; R478-S485 PolarHBondContact N-O 2.93Å; R478-R486 HydrophobicContact CG-CG 3.71Å
479	F	67.3	Low	67.5	Low	25 Å²	25	45.5 Å²	45.5	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-41.8	177.9	-58.5	-43.1	0	0	0	111	Y251 H252 Y260 Y471 E475 C477	Y251-F479 VanDerWaalsContact CE1-O 3.24Å; Y251-F479 WeakPolarHBondContact CE1-O 3.44Å; Y251-F479 PolarHBondContact OH-O 2.66Å; H252-F479 AromaticContact CE1-CD1 3.88Å; H252-F479 AromaticContact ND1-CD1 3.77Å; Y260-F479 AromaticContact CD2-CD1 3.98Å; Y260-F479 HydrophobicContact CD2-CD1 3.98Å; Y260-F479 AromaticContact CD2-CD2 4Å; Y260-F479 HydrophobicContact CD2-CD2 4Å; Y260-F479 HydrophobicContact CD2-CE1 4.02Å; Y260-F479 HydrophobicContact CD2-CE2 4.02Å; Y260-F479 AromaticContact CD2-CG 3.98Å; Y260-F479 HydrophobicContact CD2-CG 3.98Å; Y260-F479 HydrophobicContact CD2-CZ 4.04Å; Y260-F479 HydrophobicContact CE2-CB 3.83Å; Y260-F479 AromaticContact CE2-CD1 3.96Å; Y260-F479 HydrophobicContact CE2-CD1 3.96Å; Y260-F479 AromaticContact CE2-CD2 3.67Å; Y260-F479 HydrophobicContact CE2-CD2 3.67Å; Y260-F479 HydrophobicContact CE2-CE1 4.44Å; Y260-F479 HydrophobicContact CE2-CE2 4.16Å; Y260-F479 AromaticContact CE2-CG 3.56Å; Y260-F479 HydrophobicContact CE2-CG 3.56Å; Y471-F479 AromaticContact CD1-CE2 3.68Å; Y471-F479 HydrophobicContact CD1-CE2 3.68Å; Y471-F479 AromaticContact CD1-CZ 3.57Å; Y471-F479 HydrophobicContact CD1-CZ 3.57Å; Y471-F479 HydrophobicContact CD2-CE2 4.43Å; Y471-F479 HydrophobicContact CE1-CE2 4.26Å; Y471-F479 AromaticContact CE1-CZ 3.88Å; Y471-F479 HydrophobicContact CE1-CZ 3.88Å; Y471-F479 AromaticContact CG-CE2 3.76Å; Y471-F479 HydrophobicContact CG-CE2 3.76Å; Y471-F479 HydrophobicContact CG-CZ 4.14Å; E475-F479 HydrophobicContact CG-CE2 4.17Å; E475-F479 HydrophobicContact CG-CZ 3.96Å; E475-F479 WeakPolarHBondContact O-CD2 3.41Å; E475-F479 PolarHBondContact O-N 2.85Å; E475-F479 VanDerWaalsContact O-N 3.16Å; C477-F479 PolarHBondContact O-N 2.68Å
480	Q	66.9	Low	68	Low	15 Å²	15	51 Å²	51	7%	0.07	24%	0.236	C	C	.	.	H	α-helix	trans	-78	-36.9	-171.5	-152	170.6	12.3	0	0	113.3	I380 Q476 C477 R478 S509	I380-Q480 HydrophobicContact CB-CG 4.32Å; I380-Q480 VanDerWaalsContact O-CD 3.31Å; I380-Q480 VanDerWaalsContact O-CG 3.27Å; I380-Q480 WeakPolarHBondContact O-CG 3.41Å; I380-Q480 PolarHBondContact O-NE2 3.05Å; I380-Q480 VanDerWaalsContact O-NE2 3.15Å; Q476-Q480 PolarHBondContact O-N 3.39Å; C477-Q480 PolarHBondContact O-N 2.87Å; C477-Q480 VanDerWaalsContact O-N 3.11Å; R478-Q480 PolarHBondContact O-N 2.89Å; Q480-S509 PolarHBondContact NE2-OG 3.28Å
481	Y	70.9	Confident	68.7	Low	30 Å²	30	50.5 Å²	50.5	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-132.3	7.1	-171.7	-26	-74.3	0	0	0	116.2	Y191 K192 G193 C477 S485 C499 S509	Y191-Y481 VanDerWaalsContact O-CD2 3.23Å; Y191-Y481 WeakPolarHBondContact O-CD2 3.49Å; K192-Y481 VanDerWaalsContact CA-CE2 3.41Å; K192-Y481 VanDerWaalsContact CA-CG 3.49Å; K192-Y481 HydrophobicContact CB-CE2 4.23Å; K192-Y481 HydrophobicContact CG-CE2 3.97Å; K192-Y481 WeakPolarHBondContact O-CB 3.43Å; K192-Y481 WeakPolarHBondContact O-CD1 3.33Å; G193-Y481 VanDerWaalsContact CA-CD1 3.45Å; C477-Y481 HydrophobicContact CB-CD2 4.26Å; C477-Y481 HydrophobicContact CB-CE2 4.17Å; C477-Y481 WeakPolarHBondContact O-CD2 3.35Å; C477-Y481 PolarHBondContact O-N 3.29Å; Y481-S485 WeakPolarHBondContact CA-OG 3.41Å; Y481-S485 VanDerWaalsContact CB-OG 3.3Å; Y481-S485 WeakPolarHBondContact CB-OG 3.41Å; Y481-C499 HydrophobicContact CD2-CB 4.48Å; Y481-C499 HydrophobicContact CE2-CB 4.06Å; Y481-S509 PolarHBondContact OH-OG 3.01Å
482	G	64	Low	69.6	Low	14 Å²	14	51.5 Å²	51.5	14%	0.144	24%	0.237	C	C	.	.			trans	108.6	161.2	172.5	0	0	0	0	0	113.3	Y251 R478 R484 S485	Y251-G482 VanDerWaalsContact OH-CA 3.23Å; Y251-G482 WeakPolarHBondContact OH-CA 3.42Å; Y251-G482 PolarHBondContact OH-N 3.06Å; R478-G482 CarbonylContact O-C 3.58Å; R478-G482 VanDerWaalsContact O-CA 3.32Å; R478-G482 WeakPolarHBondContact O-CA 3.1Å; R478-G482 PolarHBondContact O-N 2.8Å; G482-R484 PolarHBondContact O-N 2.87Å; G482-S485 PolarHBondContact N-OG 3.02Å; G482-S485 WeakPolarHBondContact O-CA 3.49Å; G482-S485 WeakPolarHBondContact O-CB 2.99Å; G482-S485 PolarHBondContact O-N 2.82Å; G482-S485 PolarHBondContact O-OG 3.29Å
483	I	60.5	Low	70.6	Confident	130 Å²	130	50.6 Å²	50.6	67%	0.667	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.9	-171.8	-163.8	167.4	0	0	0	115.9	S485	I483-S485 VanDerWaalsContact C-N 3.28Å
484	R	63.4	Low	70.8	Confident	159 Å²	159	50 Å²	50	60%	0.6	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.4	174.6	-67.3	-174.1	176.6	-169.2	-3.8	112.6	T22 Y191 G482 R486	T22-R484 PolarHBondContact OG1-NH2 2.96Å; Y191-R484 HydrophobicContact CD2-CB 4.25Å; Y191-R484 WeakPolarHBondContact CD2-O 3.29Å; Y191-R484 HydrophobicContact CE2-CB 4.31Å; Y191-R484 WeakPolarHBondContact CE2-O 3.14Å; G482-R484 PolarHBondContact O-N 2.87Å; R484-R486 PolarHBondContact O-NE 3.25Å; R484-R486 PolarHBondContact O-NH2 3.23Å
485	S	67.6	Low	71.1	Confident	3 Å²	3	51 Å²	51	2%	0.021	24%	0.237	C	C	.	.			trans	-102.4	139.7	-171.2	88.5	0	0	0	0	112.5	Y191 C477 R478 Y481 G482 I483	Y191-S485 VanDerWaalsContact CB-CB 3.47Å; Y191-S485 VanDerWaalsContact O-CB 3.31Å; Y191-S485 WeakPolarHBondContact O-CB 3.28Å; C477-S485 CarbonylContact C-O 3.21Å; C477-S485 PolarHBondContact O-OG 2.95Å; R478-S485 WeakPolarHBondContact CA-O 3.43Å; R478-S485 WeakPolarHBondContact CG-O 3.43Å; R478-S485 PolarHBondContact N-O 2.93Å; Y481-S485 WeakPolarHBondContact CA-OG 3.41Å; Y481-S485 VanDerWaalsContact CB-OG 3.3Å; Y481-S485 WeakPolarHBondContact CB-OG 3.41Å; G482-S485 PolarHBondContact N-OG 3.02Å; G482-S485 WeakPolarHBondContact O-CA 3.49Å; G482-S485 WeakPolarHBondContact O-CB 2.99Å; G482-S485 PolarHBondContact O-N 2.82Å; G482-S485 PolarHBondContact O-OG 3.29Å; I483-S485 VanDerWaalsContact C-N 3.28Å
486	R	78.8	Confident	71.5	Confident	53 Å²	53	49.1 Å²	49.1	20%	0.2	23%	0.229	C	C	.	.			trans	-168.8	-171.7	-156.2	-85.1	153.9	-47	138.6	10.7	108.6	R188 Y189 Q190 Y191 D474 C477 R478 R484 C499	R188-R486 PolarHBondContact O-NH1 2.62Å; Y189-R486 VanDerWaalsContact C-CZ 3.45Å; Y189-R486 WeakPolarHBondContact O-CB 3.45Å; Y189-R486 WeakPolarHBondContact O-CD 3.41Å; Y189-R486 WeakPolarHBondContact O-CG 3.48Å; Y189-R486 PolarHBondContact O-NE 3.44Å; Y189-R486 PolarHBondContact O-NH1 2.65Å; Q190-R486 CarbonylContact C-O 3.48Å; Q190-R486 VanDerWaalsContact C-O 3.32Å; Q190-R486 VanDerWaalsContact CA-C 3.44Å; Y191-R486 PolarHBondContact N-O 3.3Å; Y191-R486 PolarHBondContact O-N 3.36Å; D474-R486 HydrophobicContact CB-CB 3.99Å; D474-R486 HydrophobicContact CB-CG 3.73Å; D474-R486 WeakPolarHBondContact O-CA 3.2Å; D474-R486 WeakPolarHBondContact O-CG 3.27Å; D474-R486 WeakPolarHBondContact OD1-CB 3.14Å; C477-R486 WeakPolarHBondContact CB-O 3.1Å; C477-R486 PolarHBondContact SG-O 3.19Å; R478-R486 HydrophobicContact CG-CG 3.71Å; R484-R486 PolarHBondContact O-NE 3.25Å; R484-R486 PolarHBondContact O-NH2 3.23Å; R486-C499 WeakPolarHBondContact O-CA 3.37Å; R486-C499 WeakPolarHBondContact O-CB 3.22Å
487	Q	80.4	Confident	72	Confident	22 Å²	22	49.1 Å²	49.1	10%	0.103	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-60	-176.8	-167.1	-153.6	-93.6	-18.5	0	0	118.4	Q190 A473 D474 V493 W498 C499	Q190-Q487 WeakPolarHBondContact CB-O 3.42Å; Q190-Q487 VanDerWaalsContact CG-C 3.43Å; Q190-Q487 HydrophobicContact CG-CB 4.43Å; Q190-Q487 WeakPolarHBondContact CG-O 3.26Å; Q190-Q487 VanDerWaalsContact NE2-C 3.34Å; Q190-Q487 PolarHBondContact NE2-O 3.41Å; Q190-Q487 PolarHBondContact OE1-O 2.94Å; A473-Q487 HydrophobicContact CB-CB 4.16Å; A473-Q487 HydrophobicContact CB-CG 3.58Å; D474-Q487 WeakPolarHBondContact OD1-CB 3.45Å; D474-Q487 PolarHBondContact OD1-N 3.47Å; Q487-V493 HydrophobicContact CG-CG2 4.36Å; Q487-W498 CarbonylContact C-O 3.56Å; Q487-W498 WeakPolarHBondContact CA-O 3.38Å; Q487-C499 VanDerWaalsContact C-CA 3.43Å; Q487-C499 WeakPolarHBondContact O-CA 3.36Å
488	C	79.6	Confident	72.6	Confident	1 Å²	1	51 Å²	51	1%	0.007	24%	0.236	C	C	.	.			trans	-142.7	123.3	164.7	-113	0	0	0	0	109.1	Y490 W498 C499 M500 C506	C488-Y490 PolarHBondContact O-N 2.87Å; C488-W498 HydrophobicContact CB-CB 3.71Å; C488-W498 VanDerWaalsContact N-C 3.32Å; C488-W498 PolarHBondContact N-O 3.25Å; C488-C499 PolarHBondContact SG-O 3.29Å; C488-M500 WeakPolarHBondContact SG-CB 3.36Å; C488-M500 WeakPolarHBondContact SG-CG 3.26Å; C488-C506 HydrophobicContact CB-CB 4.29Å; C488-C506 WeakPolarHBondContact CB-SG 3.4Å; C488-C506 WeakPolarHBondContact SG-CB 3.37Å; C488-C506 CovalentContact SG-SG 2.08Å; C488-C506 PolarHBondContact SG-SG 2.9Å
489	K	70.3	Confident	73.1	Confident	161 Å²	161	47.8 Å²	47.8	70%	0.7	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	57.1	174	-67.7	-164.6	176.1	-167	0	111.8
490	Y	66.1	Low	73.7	Confident	166 Å²	166	48 Å²	48	65%	0.651	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-32.8	-176	-171.2	-101.5	0	0	0	113.2	C488 W498	C488-Y490 PolarHBondContact O-N 2.87Å; Y490-W498 HydrophobicContact CD1-CD2 4.07Å; Y490-W498 HydrophobicContact CD1-CE3 4.2Å; Y490-W498 HydrophobicContact CD1-CH2 4.5Å; Y490-W498 HydrophobicContact CD1-CZ2 4.41Å; Y490-W498 HydrophobicContact CD1-CZ3 4.39Å; Y490-W498 HydrophobicContact CE1-CH2 4.45Å
491	A	68.4	Low	73.8	Confident	45 Å²	45	48.4 Å²	48.4	37%	0.372	23%	0.23	S	C	.	.	S	Bend	trans	-144.5	177.9	176.4	0	0	0	0	0	110.7	V493 W498	A491-V493 PolarHBondContact O-N 2.78Å; A491-W498 HydrophobicContact CB-CG 4.41Å
492	E	80.1	Confident	73.5	Confident	56 Å²	56	55.4 Å²	55.4	26%	0.262	26%	0.261	S	S	.	.			trans	-68.6	125.1	175.5	-162.8	-66.1	113.5	0	0	110.1	C494 S495 E496 T521	E492-C494 VanDerWaalsContact CD-N 3.33Å; E492-C494 PolarHBondContact O-N 3.3Å; E492-C494 PolarHBondContact OE1-N 2.66Å; E492-C494 PolarHBondContact OE1-SG 2.98Å; E492-C494 WeakPolarHBondContact OE2-CA 3.33Å; E492-C494 VanDerWaalsContact OE2-CB 3.25Å; E492-C494 WeakPolarHBondContact OE2-CB 3.16Å; E492-C494 PolarHBondContact OE2-N 3.23Å; E492-C494 VanDerWaalsContact OE2-N 3.1Å; E492-S495 PolarHBondContact O-N 3.37Å; E492-S495 PolarHBondContact O-OG 3.49Å; E492-S495 PolarHBondContact OE2-N 3.11Å; E492-E496 PolarHBondContact O-N 2.83Å; E492-T521 HydrophobicContact CG-CG2 4.26Å
493	V	82.7	Confident	74	Confident	15 Å²	15	58.4 Å²	58.4	9%	0.091	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.4	-165.8	62.7	0	0	0	0	113.6	A473 Q487 A491 E496 L497 A513 C519	A473-V493 HydrophobicContact CB-CG2 3.76Å; Q487-V493 HydrophobicContact CG-CG2 4.36Å; A491-V493 PolarHBondContact O-N 2.78Å; V493-E496 CarbonylContact O-C 3.1Å; V493-L497 HydrophobicContact CG2-CD1 4.09Å; V493-A513 HydrophobicContact CG2-CB 3.91Å; V493-A513 WeakPolarHBondContact O-CB 3.49Å; V493-A513 PolarHBondContact O-N 3.17Å; V493-C519 HydrophobicContact CG1-CB 3.63Å
494	C	75.3	Confident	74.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-37.3	178.2	-48.4	0	0	0	0	111.9	E492 E496 P512 C519 C529 R532 C534	E492-C494 VanDerWaalsContact CD-N 3.33Å; E492-C494 PolarHBondContact O-N 3.3Å; E492-C494 PolarHBondContact OE1-N 2.66Å; E492-C494 PolarHBondContact OE1-SG 2.98Å; E492-C494 WeakPolarHBondContact OE2-CA 3.33Å; E492-C494 VanDerWaalsContact OE2-CB 3.25Å; E492-C494 WeakPolarHBondContact OE2-CB 3.16Å; E492-C494 PolarHBondContact OE2-N 3.23Å; E492-C494 VanDerWaalsContact OE2-N 3.1Å; C494-E496 VanDerWaalsContact C-N 3.34Å; C494-E496 PolarHBondContact O-N 2.95Å; C494-P512 WeakPolarHBondContact O-CB 3.22Å; C494-C519 WeakPolarHBondContact SG-CB 3.42Å; C494-C519 VanDerWaalsContact SG-SG 3.7Å; C494-C529 WeakPolarHBondContact CA-SG 3.44Å; C494-C529 HydrophobicContact CB-CB 3.6Å; C494-C529 WeakPolarHBondContact CB-SG 3.37Å; C494-C529 WeakPolarHBondContact SG-CA 3.33Å; C494-C529 WeakPolarHBondContact SG-CB 3.34Å; C494-C529 CovalentContact SG-SG 2.03Å; C494-C529 PolarHBondContact SG-SG 2.88Å; C494-R532 CarbonylContact C-O 3.57Å; C494-R532 VanDerWaalsContact O-CA 3.28Å; C494-R532 WeakPolarHBondContact O-CA 3.37Å; C494-R532 WeakPolarHBondContact O-CB 3.48Å; C494-C534 VanDerWaalsContact SG-CA 3.59Å
495	S	74.9	Confident	75.2	Confident	49 Å²	49	58.2 Å²	58.2	34%	0.343	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-42.4	178.2	73.5	0	0	0	0	112.3	E492 R532	E492-S495 PolarHBondContact O-N 3.37Å; E492-S495 PolarHBondContact O-OG 3.49Å; E492-S495 PolarHBondContact OE2-N 3.11Å; S495-R532 WeakPolarHBondContact CA-O 3.37Å; S495-R532 PolarHBondContact N-O 3.24Å; S495-R532 PolarHBondContact O-NH1 2.67Å
496	E	74.6	Confident	75.7	Confident	13 Å²	13	60 Å²	60	6%	0.061	29%	0.291	C	S	.	.	S	Bend	trans	-157.5	127.9	179	-167.8	-170.9	157.2	0	0	109.9	K192 M424 E492 V493 C494 W498 T508	K192-E496 IonicContact NZ-OE1 3.13Å; K192-E496 PolarHBondContact NZ-OE1 2.85Å; M424-E496 HydrophobicContact CE-CB 4.22Å; M424-E496 HydrophobicContact CE-CG 3.85Å; M424-E496 VanDerWaalsContact CE-OE2 3.31Å; M424-E496 WeakPolarHBondContact CE-OE2 3.35Å; E492-E496 PolarHBondContact O-N 2.83Å; V493-E496 CarbonylContact O-C 3.1Å; C494-E496 VanDerWaalsContact C-N 3.34Å; C494-E496 PolarHBondContact O-N 2.95Å; E496-W498 VanDerWaalsContact C-N 3.31Å; E496-W498 VanDerWaalsContact CD-CE2 3.44Å; E496-W498 PolarHBondContact O-N 3.18Å; E496-W498 VanDerWaalsContact OE1-CE2 3.32Å; E496-W498 WeakPolarHBondContact OE1-CZ2 3.41Å; E496-W498 PolarHBondContact OE1-NE1 3.44Å; E496-W498 VanDerWaalsContact OE2-CE2 3.27Å; E496-W498 WeakPolarHBondContact OE2-CZ2 3.41Å; E496-W498 PolarHBondContact OE2-NE1 3.13Å; E496-T508 WeakPolarHBondContact OE1-CB 3.43Å; E496-T508 PolarHBondContact OE1-OG1 2.9Å
497	L	77.6	Confident	75.6	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	30%	0.302	C	S	.	.			trans	-72.1	87.3	175	-178.9	63.2	0	0	0	109.1	K192 A473 Q476 V493 I511 A513	K192-L497 WeakPolarHBondContact CE-O 3.49Å; K192-L497 PolarHBondContact NZ-O 2.89Å; A473-L497 HydrophobicContact CB-CD1 3.72Å; Q476-L497 HydrophobicContact CB-CD2 3.59Å; V493-L497 HydrophobicContact CG2-CD1 4.09Å; L497-I511 WeakPolarHBondContact CB-O 3.42Å; L497-I511 PolarHBondContact N-O 2.84Å; L497-A513 HydrophobicContact CB-CB 4.22Å; L497-A513 HydrophobicContact CD1-CB 4.02Å
498	W	82.9	Confident	75.2	Confident	40 Å²	40	63.1 Å²	63.1	15%	0.152	31%	0.313	C	S	.	.			trans	-73.6	141.2	166.7	-70	81.1	0	0	0	111.3	K192 Q487 C488 Y490 A491 E496 C506	K192-W498 HydrophobicContact CD-CE3 4.19Å; Q487-W498 CarbonylContact C-O 3.56Å; Q487-W498 WeakPolarHBondContact CA-O 3.38Å; C488-W498 HydrophobicContact CB-CB 3.71Å; C488-W498 VanDerWaalsContact N-C 3.32Å; C488-W498 PolarHBondContact N-O 3.25Å; Y490-W498 HydrophobicContact CD1-CD2 4.07Å; Y490-W498 HydrophobicContact CD1-CE3 4.2Å; Y490-W498 HydrophobicContact CD1-CH2 4.5Å; Y490-W498 HydrophobicContact CD1-CZ2 4.41Å; Y490-W498 HydrophobicContact CD1-CZ3 4.39Å; Y490-W498 HydrophobicContact CE1-CH2 4.45Å; A491-W498 HydrophobicContact CB-CG 4.41Å; E496-W498 VanDerWaalsContact C-N 3.31Å; E496-W498 VanDerWaalsContact CD-CE2 3.44Å; E496-W498 PolarHBondContact O-N 3.18Å; E496-W498 VanDerWaalsContact OE1-CE2 3.32Å; E496-W498 WeakPolarHBondContact OE1-CZ2 3.41Å; E496-W498 PolarHBondContact OE1-NE1 3.44Å; E496-W498 VanDerWaalsContact OE2-CE2 3.27Å; E496-W498 WeakPolarHBondContact OE2-CZ2 3.41Å; E496-W498 PolarHBondContact OE2-NE1 3.13Å; W498-C506 HydrophobicContact CE3-CB 3.91Å; W498-C506 HydrophobicContact CZ3-CB 4.22Å
499	C	82	Confident	74.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-145.5	-177.4	179.4	-29.8	0	0	0	0	106.8	Y191 K192 C477 Y481 R486 Q487 C488 C506	Y191-C499 WeakPolarHBondContact O-CB 3.42Å; K192-C499 VanDerWaalsContact CB-C 3.41Å; K192-C499 HydrophobicContact CB-CB 3.55Å; K192-C499 WeakPolarHBondContact CB-O 3.2Å; K192-C499 HydrophobicContact CD-CB 4.03Å; K192-C499 WeakPolarHBondContact CD-O 3.46Å; K192-C499 HydrophobicContact CG-CB 3.55Å; C477-C499 HydrophobicContact CB-CB 3.78Å; C477-C499 WeakPolarHBondContact CB-SG 3.4Å; C477-C499 WeakPolarHBondContact SG-CB 3.3Å; C477-C499 CovalentContact SG-SG 2.04Å; C477-C499 PolarHBondContact SG-SG 3.01Å; Y481-C499 HydrophobicContact CD2-CB 4.48Å; Y481-C499 HydrophobicContact CE2-CB 4.06Å; R486-C499 WeakPolarHBondContact O-CA 3.37Å; R486-C499 WeakPolarHBondContact O-CB 3.22Å; Q487-C499 VanDerWaalsContact C-CA 3.43Å; Q487-C499 WeakPolarHBondContact O-CA 3.36Å; C488-C499 PolarHBondContact SG-O 3.29Å; C499-C506 WeakPolarHBondContact O-CA 3.12Å
500	M	79.9	Confident	74.2	Confident	30 Å²	30	56.4 Å²	56.4	15%	0.148	29%	0.287	C	S	.	.			trans	-137.2	80.9	173.1	43.7	156.4	164.2	0	0	126	Y189 Q190 Y191 C488 N504 R505 C506	Y189-M500 HydrophobicContact CE1-CE 4.38Å; Q190-M500 HydrophobicContact CB-CE 3.54Å; Q190-M500 HydrophobicContact CB-CG 4.08Å; Q190-M500 HydrophobicContact CG-CE 4.45Å; Y191-M500 VanDerWaalsContact C-C 3.49Å; Y191-M500 VanDerWaalsContact CA-CA 3.47Å; Y191-M500 WeakPolarHBondContact CA-O 3.34Å; Y191-M500 VanDerWaalsContact CB-O 3.23Å; Y191-M500 WeakPolarHBondContact CB-O 3.49Å; Y191-M500 HydrophobicContact CD1-CB 4.32Å; Y191-M500 HydrophobicContact CD1-CE 4.47Å; Y191-M500 HydrophobicContact CD1-CG 3.64Å; Y191-M500 WeakPolarHBondContact CD1-O 3.48Å; Y191-M500 HydrophobicContact CD1-SD 3.94Å; Y191-M500 HydrophobicContact CE1-CE 4.24Å; Y191-M500 HydrophobicContact CE1-CG 4.3Å; Y191-M500 HydrophobicContact CE1-SD 4.03Å; C488-M500 WeakPolarHBondContact SG-CB 3.36Å; C488-M500 WeakPolarHBondContact SG-CG 3.26Å; M500-N504 HydrophobicContact SD-CB 4.3Å; M500-R505 CarbonylContact C-O 3.49Å; M500-R505 WeakPolarHBondContact CA-O 3.4Å; M500-R505 WeakPolarHBondContact CB-O 3.18Å; M500-C506 HydrophobicContact CB-CB 4.13Å; M500-C506 VanDerWaalsContact CB-N 3.3Å
501	S	70.8	Confident	74.2	Confident	23 Å²	23	49 Å²	49	16%	0.161	26%	0.258	C	S	.	.			trans	50.9	-132.4	171.2	-167.9	0	0	0	0	117.9	Y191 K192 S503 R505	Y191-S501 WeakPolarHBondContact CB-O 3.43Å; K192-S501 PolarHBondContact N-O 3.2Å; S501-S503 PolarHBondContact OG-OG 2.9Å; S501-R505 WeakPolarHBondContact CB-O 3.48Å; S501-R505 PolarHBondContact N-O 2.88Å
502	K	64.4	Low	74.4	Confident	178 Å²	178	47.6 Å²	47.6	77%	0.774	25%	0.245	S	C	*	.	S	Bend	trans	-131.2	-12.8	158.5	-79.7	-178.6	-179	172	0	111.8
503	S	72.9	Confident	74.2	Confident	77 Å²	77	45.3 Å²	45.3	54%	0.538	24%	0.236	S	C	.	.	S	Bend	trans	-103.7	28.7	-175.9	51.6	0	0	0	0	112.3	S501 R505	S501-S503 PolarHBondContact OG-OG 2.9Å; S503-R505 PolarHBondContact O-N 3.07Å
504	N	72.1	Confident	73.5	Confident	103 Å²	103	45.3 Å²	45.3	55%	0.551	24%	0.238	S	C	*	.	S	Bend	trans	57.8	22.3	-173.3	-57.8	-1.3	0	0	0	115.2	Y191 M500	Y191-N504 HydrophobicContact CE1-CB 4.46Å; Y191-N504 WeakPolarHBondContact CE1-OD1 3.31Å; Y191-N504 PolarHBondContact OH-OD1 2.87Å; M500-N504 HydrophobicContact SD-CB 4.3Å
505	R	77.3	Confident	73.2	Confident	181 Å²	181	49 Å²	49	68%	0.683	26%	0.255	S	S	*	.			trans	-91	108.4	179.2	52.1	84.1	94.9	158.2	8.8	117.1	M500 S501 S503 I507	M500-R505 CarbonylContact C-O 3.49Å; M500-R505 WeakPolarHBondContact CA-O 3.4Å; M500-R505 WeakPolarHBondContact CB-O 3.18Å; S501-R505 WeakPolarHBondContact CB-O 3.48Å; S501-R505 PolarHBondContact N-O 2.88Å; S503-R505 PolarHBondContact O-N 3.07Å; R505-I507 PolarHBondContact O-N 2.92Å; R505-I507 VanDerWaalsContact O-N 3.08Å
506	C	79.4	Confident	72.8	Confident	41 Å²	41	46.7 Å²	46.7	28%	0.277	24%	0.239	S	C	.	.			trans	-65.1	103	170.9	-52.9	0	0	0	0	111.6	C488 W498 C499 M500	C488-C506 HydrophobicContact CB-CB 4.29Å; C488-C506 WeakPolarHBondContact CB-SG 3.4Å; C488-C506 WeakPolarHBondContact SG-CB 3.37Å; C488-C506 CovalentContact SG-SG 2.08Å; C488-C506 PolarHBondContact SG-SG 2.9Å; W498-C506 HydrophobicContact CE3-CB 3.91Å; W498-C506 HydrophobicContact CZ3-CB 4.22Å; C499-C506 WeakPolarHBondContact O-CA 3.12Å; M500-C506 HydrophobicContact CB-CB 4.13Å; M500-C506 VanDerWaalsContact CB-N 3.3Å
507	I	76.1	Confident	72.6	Confident	87 Å²	87	46.1 Å²	46.1	45%	0.446	24%	0.236	S	C	.	.			trans	-145.3	140.2	-176.1	65.9	-176	0	0	0	113.5	K192 G193 R505	K192-I507 WeakPolarHBondContact CB-O 3.29Å; K192-I507 WeakPolarHBondContact CD-O 3.35Å; K192-I507 WeakPolarHBondContact CG-O 3.5Å; G193-I507 PolarHBondContact N-O 3.11Å; R505-I507 PolarHBondContact O-N 2.92Å; R505-I507 VanDerWaalsContact O-N 3.08Å
508	T	72.9	Confident	72.4	Confident	54 Å²	54	48.7 Å²	48.7	33%	0.331	25%	0.249	S	C	.	.			trans	-102.1	154.9	-143.5	-159.1	0	0	0	0	121.7	K192 G193 E496 S510	K192-T508 VanDerWaalsContact CE-OG1 3.3Å; K192-T508 WeakPolarHBondContact CE-OG1 3.23Å; K192-T508 PolarHBondContact NZ-OG1 2.03Å; G193-T508 CarbonylContact C-O 3.6Å; E496-T508 WeakPolarHBondContact OE1-CB 3.43Å; E496-T508 PolarHBondContact OE1-OG1 2.9Å; T508-S510 PolarHBondContact OG1-N 3.25Å
509	S	63.2	Low	72.1	Confident	3 Å²	3	47 Å²	47	2%	0.021	24%	0.243	C	C	.	.			trans	-100.6	-9.5	156.6	-66.7	0	0	0	0	114	G193 R194 Q480 Y481 I511	G193-S509 WeakPolarHBondContact CA-OG 3.37Å; R194-S509 PolarHBondContact N-OG 3.14Å; Q480-S509 PolarHBondContact NE2-OG 3.28Å; Y481-S509 PolarHBondContact OH-OG 3.01Å; S509-I511 PolarHBondContact O-N 3.32Å; S509-I511 VanDerWaalsContact O-N 3.12Å
510	S	65.6	Low	71.9	Confident	18 Å²	18	53.3 Å²	53.3	13%	0.126	27%	0.273	C	S	.	.			trans	63.2	6.3	-175.5	-46.2	0	0	0	0	117.8	T508	T508-S510 PolarHBondContact OG1-N 3.25Å
511	I	65.6	Low	71.7	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.056	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-86.4	137.4	-179.1	-63.3	174	0	0	0	109.9	I380 F386 I422 L497 S509	I380-I511 HydrophobicContact CD1-CD1 3.57Å; F386-I511 HydrophobicContact CE2-CG2 4.35Å; I422-I511 HydrophobicContact CG2-CG1 4.21Å; L497-I511 WeakPolarHBondContact CB-O 3.42Å; L497-I511 PolarHBondContact N-O 2.84Å; S509-I511 PolarHBondContact O-N 3.32Å; S509-I511 VanDerWaalsContact O-N 3.12Å
512	P	72.8	Confident	71.8	Confident	14 Å²	14	60.8 Å²	60.8	9%	0.091	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-73	161.3	175	32.6	-36.2	0	0	0	112.2	F429 C494 R532	F429-P512 HydrophobicContact CE2-CG 3.77Å; F429-P512 HydrophobicContact CZ-CG 4.38Å; C494-P512 WeakPolarHBondContact O-CB 3.22Å; P512-R532 HydrophobicContact CB-CG 3.76Å; P512-R532 HydrophobicContact CG-CG 3.97Å
513	A	75.5	Confident	72.1	Confident	8 Å²	8	57.8 Å²	57.8	7%	0.066	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.1	145.5	169.2	0	0	0	0	0	110.7	V493 L497 T517	V493-A513 HydrophobicContact CG2-CB 3.91Å; V493-A513 WeakPolarHBondContact O-CB 3.49Å; V493-A513 PolarHBondContact O-N 3.17Å; L497-A513 HydrophobicContact CB-CB 4.22Å; L497-A513 HydrophobicContact CD1-CB 4.02Å; A513-T517 HydrophobicContact CB-CG2 3.97Å
514	A	68.4	Low	71.9	Confident	16 Å²	16	55.9 Å²	55.9	13%	0.132	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-60.3	152	-177.6	0	0	0	0	0	112.1	L382 P467 G516 T517	L382-A514 HydrophobicContact CD1-CB 3.81Å; P467-A514 HydrophobicContact CB-CB 4.24Å; A514-G516 PolarHBondContact O-N 2.97Å; A514-T517 PolarHBondContact N-OG1 3.26Å; A514-T517 WeakPolarHBondContact O-CB 3.25Å; A514-T517 PolarHBondContact O-N 2.96Å; A514-T517 PolarHBondContact O-OG1 3.09Å
515	E	68.1	Low	71.6	Confident	77 Å²	77	58.8 Å²	58.8	36%	0.36	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	135.1	-179.6	-64.7	-152.7	128.5	0	0	111.3	A466 G468 C529 F530 K531	A466-E515 CarbonylContact C-O 3.59Å; A466-E515 HydrophobicContact CB-CB 4.24Å; A466-E515 WeakPolarHBondContact CB-O 3.26Å; G468-E515 WeakPolarHBondContact CA-O 3.32Å; G468-E515 PolarHBondContact N-O 3.33Å; E515-C529 CarbonylContact C-O 3.55Å; E515-C529 WeakPolarHBondContact CA-O 3.29Å; E515-F530 WeakPolarHBondContact OE1-CD2 3.26Å; E515-K531 PolarHBondContact OE1-N 3.09Å
516	G	66.4	Low	71	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	-0	-174.2	0	0	0	0	0	115.9	G468 Q469 A514 I518 C529	G468-G516 CarbonylContact C-O 3.6Å; Q469-G516 WeakPolarHBondContact CG-O 3.41Å; A514-G516 PolarHBondContact O-N 2.97Å; G516-I518 PolarHBondContact O-N 2.65Å; G516-C529 PolarHBondContact N-O 2.89Å
517	T	71.6	Confident	70.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.			trans	-59.4	133.9	175.7	-54.9	0	0	0	0	110.5	G468 A473 Q476 A513 A514 C519 W528 C529	G468-T517 WeakPolarHBondContact CA-OG1 3.46Å; G468-T517 WeakPolarHBondContact O-CA 3.29Å; A473-T517 HydrophobicContact CB-CG2 3.76Å; Q476-T517 PolarHBondContact NE2-OG1 3.34Å; A513-T517 HydrophobicContact CB-CG2 3.97Å; A514-T517 PolarHBondContact N-OG1 3.26Å; A514-T517 WeakPolarHBondContact O-CB 3.25Å; A514-T517 PolarHBondContact O-N 2.96Å; A514-T517 PolarHBondContact O-OG1 3.09Å; T517-C519 PolarHBondContact O-N 3.44Å; T517-W528 CarbonylContact O-C 3.57Å; T517-W528 VanDerWaalsContact O-CA 3.31Å; T517-W528 WeakPolarHBondContact O-CA 3.28Å; T517-C529 PolarHBondContact O-N 2.93Å; T517-C529 PolarHBondContact O-SG 2.94Å
518	I	72.8	Confident	70.3	Confident	60 Å²	60	50 Å²	50	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	131.2	178.5	-50	-175.3	0	0	0	109.6	E153 G516 G527	E153-I518 WeakPolarHBondContact OE1-CD1 3.15Å; G516-I518 PolarHBondContact O-N 2.65Å; I518-G527 WeakPolarHBondContact CA-O 3.46Å
519	C	75.9	Confident	70.1	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.034	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.2	-178.2	67.5	0	0	0	0	111.3	V493 C494 T517 G527 W528 C534	V493-C519 HydrophobicContact CG1-CB 3.63Å; C494-C519 WeakPolarHBondContact SG-CB 3.42Å; C494-C519 VanDerWaalsContact SG-SG 3.7Å; T517-C519 PolarHBondContact O-N 3.44Å; C519-G527 PolarHBondContact N-O 3.17Å; C519-G527 PolarHBondContact O-N 3.36Å; C519-G527 VanDerWaalsContact O-N 3.09Å; C519-W528 VanDerWaalsContact SG-CA 3.59Å; C519-W528 PolarHBondContact SG-N 3.26Å; C519-C534 VanDerWaalsContact C-SG 3.58Å; C519-C534 HydrophobicContact CB-CB 3.72Å; C519-C534 WeakPolarHBondContact CB-SG 3.09Å; C519-C534 WeakPolarHBondContact SG-CA 3.43Å; C519-C534 WeakPolarHBondContact SG-CB 3.48Å; C519-C534 CovalentContact SG-SG 2.03Å; C519-C534 PolarHBondContact SG-SG 3.31Å
520	Q	77.6	Confident	70.5	Confident	132 Å²	132	49.1 Å²	49.1	62%	0.617	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	136	179	-171.6	-179.9	23.4	0	0	108.6	I524	Q520-I524 WeakPolarHBondContact CA-O 3.49Å
521	T	75.4	Confident	70.4	Confident	40 Å²	40	54.6 Å²	54.6	25%	0.245	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	170.3	172	70.8	0	0	0	0	109.6	E492 T523 I524 C534	E492-T521 HydrophobicContact CG-CG2 4.26Å; T521-T523 PolarHBondContact O-N 3.26Å; T521-T523 PolarHBondContact OG1-N 3.04Å; T521-T523 PolarHBondContact OG1-OG1 3.48Å; T521-I524 PolarHBondContact N-O 3.43Å; T521-I524 CarbonylContact O-C 3.24Å; T521-I524 PolarHBondContact O-N 3.46Å; T521-I524 VanDerWaalsContact O-N 3.12Å; T521-I524 VanDerWaalsContact O-O 3.11Å; T521-I524 WeakPolarHBondContact OG1-CB 3.47Å; T521-I524 PolarHBondContact OG1-N 2.9Å; T521-C534 HydrophobicContact CG2-CB 3.75Å
522	N	72.9	Confident	70.6	Confident	170 Å²	170	55.5 Å²	55.5	91%	0.909	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-3.6	178.5	-56.5	9.4	0	0	0	114
523	T	70.7	Confident	70.7	Confident	115 Å²	115	59 Å²	59	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	-2.4	177.1	51.7	0	0	0	0	113.8	T521	T521-T523 PolarHBondContact O-N 3.26Å; T521-T523 PolarHBondContact OG1-N 3.04Å; T521-T523 PolarHBondContact OG1-OG1 3.48Å
524	I	69.9	Low	70.8	Confident	37 Å²	37	59 Å²	59	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	102.1	179.9	-57.3	174.3	0	0	0	107.7	Q520 T521 C534	Q520-I524 WeakPolarHBondContact CA-O 3.49Å; T521-I524 PolarHBondContact N-O 3.43Å; T521-I524 CarbonylContact O-C 3.24Å; T521-I524 PolarHBondContact O-N 3.46Å; T521-I524 VanDerWaalsContact O-N 3.12Å; T521-I524 VanDerWaalsContact O-O 3.11Å; T521-I524 WeakPolarHBondContact OG1-CB 3.47Å; T521-I524 PolarHBondContact OG1-N 2.9Å; I524-C534 VanDerWaalsContact CD1-O 3.29Å; I524-C534 WeakPolarHBondContact CD1-O 3.21Å
525	E	65.7	Low	71.2	Confident	165 Å²	165	59.8 Å²	59.8	77%	0.771	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	-35.6	-177.1	-61.8	-175	159.4	0	0	112.9
526	K	65	Low	71.3	Confident	108 Å²	108	58.1 Å²	58.1	47%	0.47	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	107.6	177.4	-74.8	-177.4	173.5	179.3	0	108.5	G151 E152 Y537	G151-K526 PolarHBondContact O-NZ 3.44Å; E152-K526 IonicContact OE1-NZ 3.7Å; E152-K526 PolarHBondContact OE1-NZ 2.95Å; K526-Y537 HydrophobicContact CB-CD2 3.9Å; K526-Y537 HydrophobicContact CB-CE2 3.9Å; K526-Y537 WeakPolarHBondContact O-CD2 3.36Å
527	G	70	Confident	70.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	177.4	-179.2	0	0	0	0	0	113.1	I518 C519 V535	I518-G527 WeakPolarHBondContact CA-O 3.46Å; C519-G527 PolarHBondContact N-O 3.17Å; C519-G527 PolarHBondContact O-N 3.36Å; C519-G527 VanDerWaalsContact O-N 3.09Å; G527-V535 CarbonylContact C-O 3.55Å; G527-V535 WeakPolarHBondContact CA-O 3.42Å
528	W	69.7	Low	69.8	Low	15 Å²	15	65.5 Å²	65.5	6%	0.057	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.7	178.4	72.4	-31.5	0	0	0	111.8	A466 Q469 T517 C519 V535 Y537 R540	A466-W528 HydrophobicContact CB-CZ3 4.43Å; Q469-W528 HydrophobicContact CG-CE3 4.26Å; T517-W528 CarbonylContact O-C 3.57Å; T517-W528 VanDerWaalsContact O-CA 3.31Å; T517-W528 WeakPolarHBondContact O-CA 3.28Å; C519-W528 VanDerWaalsContact SG-CA 3.59Å; C519-W528 PolarHBondContact SG-N 3.26Å; W528-V535 PolarHBondContact N-O 2.97Å; W528-V535 VanDerWaalsContact NE1-CG2 3.34Å; W528-V535 PolarHBondContact O-N 3.21Å; W528-Y537 HydrophobicContact CB-CD1 4.26Å; W528-Y537 HydrophobicContact CB-CE1 3.89Å; W528-Y537 HydrophobicContact CG-CD1 4.26Å; W528-Y537 HydrophobicContact CG-CE1 4.34Å; W528-R540 HydrophobicContact CH2-CB 4.24Å; W528-R540 HydrophobicContact CH2-CG 4.17Å; W528-R540 HydrophobicContact CZ2-CB 3.98Å; W528-R540 HydrophobicContact CZ2-CG 4.29Å
529	C	70.2	Confident	68.9	Low	2 Å²	2	66.3 Å²	66.3	1%	0.014	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127	-178.1	-65.9	0	0	0	0	112.7	C494 E515 G516 T517	C494-C529 WeakPolarHBondContact CA-SG 3.44Å; C494-C529 HydrophobicContact CB-CB 3.6Å; C494-C529 WeakPolarHBondContact CB-SG 3.37Å; C494-C529 WeakPolarHBondContact SG-CA 3.33Å; C494-C529 WeakPolarHBondContact SG-CB 3.34Å; C494-C529 CovalentContact SG-SG 2.03Å; C494-C529 PolarHBondContact SG-SG 2.88Å; E515-C529 CarbonylContact C-O 3.55Å; E515-C529 WeakPolarHBondContact CA-O 3.29Å; G516-C529 PolarHBondContact N-O 2.89Å; T517-C529 PolarHBondContact O-N 2.93Å; T517-C529 PolarHBondContact O-SG 2.94Å
530	F	70.1	Confident	67.6	Low	37 Å²	37	71.7 Å²	71.7	16%	0.162	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126.7	174.9	-174.5	-116.1	0	0	0	109.7	E515 R532 V533 V535 I579	E515-F530 WeakPolarHBondContact OE1-CD2 3.26Å; F530-R532 VanDerWaalsContact C-N 3.3Å; F530-R532 PolarHBondContact O-N 3.48Å; F530-V533 PolarHBondContact N-O 3.26Å; F530-V533 PolarHBondContact O-N 3.48Å; F530-V533 VanDerWaalsContact O-O 3.1Å; F530-V535 HydrophobicContact CB-CG1 4.43Å; F530-V535 HydrophobicContact CB-CG2 3.9Å; F530-I579 HydrophobicContact CZ-CD1 3.84Å; F530-I579 HydrophobicContact CZ-CG1 4.49Å
531	K	65.1	Low	66	Low	134 Å²	134	68.8 Å²	68.8	58%	0.583	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	47.9	-176.5	-60.4	-167.7	175	-169.1	0	114.8	E515 V533	E515-K531 PolarHBondContact OE1-N 3.09Å; K531-V533 VanDerWaalsContact C-N 3.26Å; K531-V533 PolarHBondContact O-N 3.22Å
532	R	69.8	Low	64.8	Low	29 Å²	29	75.1 Å²	75.1	11%	0.109	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	13.6	-174.9	-52.3	-162.3	-174.2	-141.5	5.6	116.7	T426 N427 C494 S495 P512 F530	T426-R532 PolarHBondContact O-NH2 2.99Å; T426-R532 PolarHBondContact OG1-NH2 2.88Å; N427-R532 PolarHBondContact OD1-NE 3.18Å; C494-R532 CarbonylContact C-O 3.57Å; C494-R532 VanDerWaalsContact O-CA 3.28Å; C494-R532 WeakPolarHBondContact O-CA 3.37Å; C494-R532 WeakPolarHBondContact O-CB 3.48Å; S495-R532 WeakPolarHBondContact CA-O 3.37Å; S495-R532 PolarHBondContact N-O 3.24Å; S495-R532 PolarHBondContact O-NH1 2.67Å; P512-R532 HydrophobicContact CB-CG 3.76Å; P512-R532 HydrophobicContact CG-CG 3.97Å; F530-R532 VanDerWaalsContact C-N 3.3Å; F530-R532 PolarHBondContact O-N 3.48Å
533	V	74.1	Confident	63.8	Low	87 Å²	87	69 Å²	69	53%	0.527	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140	177.9	-177.6	0	0	0	0	109.9	F530 K531 V535	F530-V533 PolarHBondContact N-O 3.26Å; F530-V533 PolarHBondContact O-N 3.48Å; F530-V533 VanDerWaalsContact O-O 3.1Å; K531-V533 VanDerWaalsContact C-N 3.26Å; K531-V533 PolarHBondContact O-N 3.22Å; V533-V535 HydrophobicContact CG1-CG1 4.27Å; V533-V535 PolarHBondContact O-N 2.81Å
534	C	77.6	Confident	63.3	Low	10 Å²	10	66.7 Å²	66.7	7%	0.068	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.2	169.2	-174.5	0	0	0	0	110.2	C494 C519 T521 I524	C494-C534 VanDerWaalsContact SG-CA 3.59Å; C519-C534 VanDerWaalsContact C-SG 3.58Å; C519-C534 HydrophobicContact CB-CB 3.72Å; C519-C534 WeakPolarHBondContact CB-SG 3.09Å; C519-C534 WeakPolarHBondContact SG-CA 3.43Å; C519-C534 WeakPolarHBondContact SG-CB 3.48Å; C519-C534 CovalentContact SG-SG 2.03Å; C519-C534 PolarHBondContact SG-SG 3.31Å; T521-C534 HydrophobicContact CG2-CB 3.75Å; I524-C534 VanDerWaalsContact CD1-O 3.29Å; I524-C534 WeakPolarHBondContact CD1-O 3.21Å
535	V	76.8	Confident	63.1	Low	31 Å²	31	68.8 Å²	68.8	19%	0.188	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.5	176.9	-52	0	0	0	0	110.6	G527 W528 F530 V533 T539	G527-V535 CarbonylContact C-O 3.55Å; G527-V535 WeakPolarHBondContact CA-O 3.42Å; W528-V535 PolarHBondContact N-O 2.97Å; W528-V535 VanDerWaalsContact NE1-CG2 3.34Å; W528-V535 PolarHBondContact O-N 3.21Å; F530-V535 HydrophobicContact CB-CG1 4.43Å; F530-V535 HydrophobicContact CB-CG2 3.9Å; V533-V535 HydrophobicContact CG1-CG1 4.27Å; V533-V535 PolarHBondContact O-N 2.81Å; V535-T539 WeakPolarHBondContact CG2-OG1 3.27Å
536	A	69.1	Low	63	Low	43 Å²	43	61.8 Å²	61.8	36%	0.355	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	149.8	179.8	0	0	0	0	0	111.8	T539	A536-T539 PolarHBondContact O-N 2.79Å; A536-T539 PolarHBondContact O-OG1 3.42Å
537	Y	55.8	Low	63.3	Low	86 Å²	86	57.5 Å²	57.5	34%	0.337	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	141.5	170.7	-76.6	-63.6	0	0	0	111.3	E153 K526 W528	E153-Y537 PolarHBondContact OE1-OH 3.01Å; K526-Y537 HydrophobicContact CB-CD2 3.9Å; K526-Y537 HydrophobicContact CB-CE2 3.9Å; K526-Y537 WeakPolarHBondContact O-CD2 3.36Å; W528-Y537 HydrophobicContact CB-CD1 4.26Å; W528-Y537 HydrophobicContact CB-CE1 3.89Å; W528-Y537 HydrophobicContact CG-CD1 4.26Å; W528-Y537 HydrophobicContact CG-CE1 4.34Å
538	G	50.9	Low	63.7	Low	70 Å²	70	60 Å²	60	72%	0.722	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-27.6	-177.1	0	0	0	0	0	114.5	R540	G538-R540 VanDerWaalsContact C-N 3.3Å; G538-R540 PolarHBondContact O-N 2.81Å
539	T	54.3	Low	63.6	Low	77 Å²	77	59.6 Å²	59.6	47%	0.472	34%	0.341	S	S	.	.			trans	-78.4	71.1	179.6	59.1	0	0	0	0	113.1	V535 A536	V535-T539 WeakPolarHBondContact CG2-OG1 3.27Å; A536-T539 PolarHBondContact O-N 2.79Å; A536-T539 PolarHBondContact O-OG1 3.42Å
540	R	48.1	Very low	63.7	Low	118 Å²	118	67.4 Å²	67.4	45%	0.445	38%	0.381	S	S	.	.			trans	-107.6	110.3	166.2	-167	-174.3	-136.8	160.5	13.4	108.5	T464 W528 G538	T464-R540 PolarHBondContact O-NH1 3.4Å; T464-R540 PolarHBondContact O-NH2 3.24Å; W528-R540 HydrophobicContact CH2-CB 4.24Å; W528-R540 HydrophobicContact CH2-CG 4.17Å; W528-R540 HydrophobicContact CZ2-CB 3.98Å; W528-R540 HydrophobicContact CZ2-CG 4.29Å; G538-R540 VanDerWaalsContact C-N 3.3Å; G538-R540 PolarHBondContact O-N 2.81Å
541	P	45.8	Very low	64.3	Low	70 Å²	70	68.8 Å²	68.8	46%	0.455	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-64	145.5	172.4	-14.4	27.8	0	0	0	110.3	I579	P541-I579 HydrophobicContact CB-CD1 3.82Å; P541-I579 HydrophobicContact CG-CD1 3.98Å; P541-I579 WeakPolarHBondContact O-CD1 3.4Å
542	E	48.4	Very low	64.6	Low	174 Å²	174	64.9 Å²	64.9	81%	0.813	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-71.4	152.8	174	-61.1	-170.9	146.3	0	0	111
543	G	52.4	Low	65.2	Low	42 Å²	42	67.8 Å²	67.8	43%	0.433	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-77.8	132.5	179.5	0	0	0	0	0	111.7	T578 I579	G543-T578 CarbonylContact C-O 3.29Å; G543-T578 WeakPolarHBondContact CA-O 3.47Å; G543-I579 WeakPolarHBondContact CA-O 3.24Å
544	V	61.3	Low	65.8	Low	66 Å²	66	67.5 Å²	67.5	40%	0.4	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-110	120.3	179.5	-177.3	0	0	0	0	108.8	P575 P577 T578	V544-P575 HydrophobicContact CG1-CB 4.31Å; V544-P575 HydrophobicContact CG1-CG 3.67Å; V544-P577 CarbonylContact O-C 3.57Å; V544-P577 WeakPolarHBondContact O-CA 3.23Å; V544-T578 WeakPolarHBondContact CB-OG1 3.35Å; V544-T578 PolarHBondContact N-O 2.99Å; V544-T578 PolarHBondContact N-OG1 3.18Å; V544-T578 PolarHBondContact O-N 2.96Å
545	D	64.1	Low	66	Low	80 Å²	80	68.9 Å²	68.9	43%	0.428	41%	0.411	S	S	.	.			trans	-62	141.2	172.2	-86.6	2.9	0	0	0	109.8	G581 K582	D545-G581 VanDerWaalsContact OD1-CA 3.23Å; D545-G581 WeakPolarHBondContact OD1-CA 3.4Å; D545-K582 PolarHBondContact OD1-N 2.97Å; D545-K582 IonicContact OD2-NZ 3.75Å; D545-K582 PolarHBondContact OD2-NZ 2.68Å
546	G	65.3	Low	66.7	Low	19 Å²	19	76.4 Å²	76.4	20%	0.196	44%	0.444	C	S	.	.			trans	-71.8	139.3	-177	0	0	0	0	0	114	P575 K582 C584	G546-P575 WeakPolarHBondContact CA-O 3.43Å; G546-K582 PolarHBondContact N-O 3.15Å; G546-C584 PolarHBondContact O-SG 3.26Å
547	G	70.4	Confident	67.7	Low	18 Å²	18	76 Å²	76	19%	0.186	44%	0.438	C	S	.	.			trans	-108.8	143.7	171.4	0	0	0	0	0	112.7	G549 C572 D573 S574 P575	G547-G549 PolarHBondContact O-N 3.47Å; G547-C572 CarbonylContact O-C 3.55Å; G547-D573 PolarHBondContact O-N 2.8Å; G547-D573 VanDerWaalsContact O-N 3.11Å; G547-S574 CarbonylContact C-O 3.54Å; G547-S574 WeakPolarHBondContact CA-O 3.29Å; G547-S574 CarbonylContact O-C 3.54Å; G547-S574 PolarHBondContact O-N 2.98Å; G547-P575 PolarHBondContact N-O 3.19Å
548	W	78.5	Confident	69.4	Low	53 Å²	53	73.7 Å²	73.7	20%	0.201	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-68.8	123.4	175.9	-79.5	118.5	0	0	0	111.2	R570 C572 C584 L585 R588	W548-R570 HydrophobicContact CD2-CG 4.31Å; W548-R570 HydrophobicContact CE3-CG 3.69Å; W548-R570 VanDerWaalsContact CG-CZ 3.43Å; W548-R570 HydrophobicContact CZ3-CG 4.15Å; W548-C572 HydrophobicContact CZ3-CB 4.37Å; W548-C584 HydrophobicContact CD2-CB 3.66Å; W548-C584 HydrophobicContact CE3-CB 4.07Å; W548-C584 HydrophobicContact CG-CB 4.16Å; W548-C584 HydrophobicContact CH2-CB 3.92Å; W548-C584 HydrophobicContact CZ2-CB 3.53Å; W548-C584 VanDerWaalsContact CZ2-O 3.29Å; W548-C584 WeakPolarHBondContact CZ2-O 3.43Å; W548-C584 HydrophobicContact CZ3-CB 4.19Å; W548-L585 PolarHBondContact NE1-O 2.87Å; W548-R588 HydrophobicContact CH2-CB 3.73Å; W548-R588 HydrophobicContact CZ3-CB 4.12Å
549	G	67.8	Low	71.2	Confident	6 Å²	6	71.9 Å²	71.9	6%	0.062	41%	0.406	C	S	.	.			trans	-67.4	174.2	168.8	0	0	0	0	0	113.6	G547 H571 D573 S574	G547-G549 PolarHBondContact O-N 3.47Å; G549-H571 PolarHBondContact N-O 2.9Å; G549-D573 WeakPolarHBondContact CA-OD1 3.24Å; G549-S574 VanDerWaalsContact CA-OG 3.28Å; G549-S574 WeakPolarHBondContact CA-OG 3.48Å
550	L	72.8	Confident	72.9	Confident	165 Å²	165	74.5 Å²	74.5	86%	0.864	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-60.2	147.8	176.4	-64.8	178.5	0	0	0	111.1	R570	L550-R570 WeakPolarHBondContact O-CB 3.46Å
551	W	81.1	Confident	74.7	Confident	66 Å²	66	70 Å²	70	25%	0.25	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-65.9	133.4	169.4	-72.2	106.5	0	0	0	110.6	S568 R570 E587 R588 R590	W551-S568 WeakPolarHBondContact CZ3-O 3.49Å; W551-R570 HydrophobicContact CD2-CB 4.19Å; W551-R570 HydrophobicContact CD2-CG 4.03Å; W551-R570 HydrophobicContact CE3-CB 3.94Å; W551-R570 HydrophobicContact CE3-CG 3.79Å; W551-R570 HydrophobicContact CH2-CG 3.98Å; W551-R570 HydrophobicContact CZ2-CG 4.21Å; W551-R570 HydrophobicContact CZ3-CB 4.34Å; W551-R570 HydrophobicContact CZ3-CG 3.75Å; W551-E587 HydrophobicContact CH2-CB 4.12Å; W551-E587 HydrophobicContact CZ2-CB 4.37Å; W551-R588 WeakPolarHBondContact CZ3-O 3.38Å; W551-R590 VanDerWaalsContact CB-NH2 3.26Å; W551-R590 HydrophobicContact CD2-CG 4.28Å; W551-R590 HydrophobicContact CE3-CG 3.82Å; W551-R590 VanDerWaalsContact CG-CZ 3.45Å; W551-R590 HydrophobicContact CH2-CB 3.92Å; W551-R590 HydrophobicContact CH2-CG 3.88Å; W551-R590 HydrophobicContact CZ2-CB 4.47Å; W551-R590 HydrophobicContact CZ2-CG 4.32Å; W551-R590 HydrophobicContact CZ3-CB 4.06Å; W551-R590 HydrophobicContact CZ3-CG 3.61Å
552	S	73.1	Confident	76.5	Confident	52 Å²	52	67 Å²	67	36%	0.364	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-54.7	156.9	169.7	76.9	0	0	0	0	110.9	S568 V569	S552-S568 PolarHBondContact O-OG 2.92Å; S552-S568 WeakPolarHBondContact OG-CA 3.27Å; S552-V569 VanDerWaalsContact CB-O 3.29Å; S552-V569 WeakPolarHBondContact CB-O 3.37Å; S552-V569 PolarHBondContact N-O 3.35Å; S552-V569 PolarHBondContact OG-N 3.03Å; S552-V569 PolarHBondContact OG-O 3.45Å
553	A	81.8	Confident	78.3	Confident	90 Å²	90	59 Å²	59	74%	0.744	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-48.6	148.2	157	0	0	0	0	0	110	G555	A553-G555 PolarHBondContact O-N 2.87Å
554	W	87.4	Confident	80	Confident	81 Å²	81	57 Å²	57	31%	0.307	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-66.2	124.4	174.3	-71.1	102.6	0	0	0	109.3	S568 R590 R592	W554-S568 VanDerWaalsContact CE3-CB 3.48Å; W554-R590 HydrophobicContact CH2-CG 3.73Å; W554-R590 HydrophobicContact CZ2-CG 4.4Å; W554-R590 HydrophobicContact CZ3-CG 4.15Å; W554-R592 VanDerWaalsContact CB-NH2 3.27Å; W554-R592 HydrophobicContact CD2-CG 4.19Å; W554-R592 VanDerWaalsContact CD2-NE 3.28Å; W554-R592 HydrophobicContact CE3-CG 3.74Å; W554-R592 VanDerWaalsContact CG-CZ 3.42Å; W554-R592 HydrophobicContact CH2-CB 3.98Å; W554-R592 HydrophobicContact CH2-CG 3.95Å; W554-R592 HydrophobicContact CZ2-CG 4.38Å; W554-R592 HydrophobicContact CZ3-CB 4.04Å; W554-R592 HydrophobicContact CZ3-CG 3.62Å
555	G	80.6	Confident	81.5	Confident	39 Å²	39	54.2 Å²	54.2	40%	0.402	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-65.2	170.8	174.2	0	0	0	0	0	112.2	A553 S566 S567	A553-G555 PolarHBondContact O-N 2.87Å; G555-S566 PolarHBondContact O-OG 3.35Å; G555-S567 PolarHBondContact N-O 2.95Å
556	E	90.9	Very high	82.8	Confident	190 Å²	190	50.5 Å²	50.5	89%	0.888	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55.4	156.2	179.6	-59.2	-168.6	143.2	0	0	112.4
557	C	91.4	Very high	83.9	Confident	35 Å²	35	51.2 Å²	51.2	24%	0.236	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-79.8	129.1	178.5	-165.2	0	0	0	0	110	R559 C594 N595	C557-R559 PolarHBondContact O-N 3.01Å; C557-R559 PolarHBondContact SG-O 2.66Å; C557-C594 WeakPolarHBondContact CA-SG 3.48Å; C557-C594 HydrophobicContact CB-CB 3.85Å; C557-C594 WeakPolarHBondContact CB-SG 3.3Å; C557-C594 VanDerWaalsContact SG-C 3.54Å; C557-C594 WeakPolarHBondContact SG-CB 3.43Å; C557-C594 CovalentContact SG-SG 2.02Å; C557-C594 PolarHBondContact SG-SG 3.41Å; C557-N595 WeakPolarHBondContact CB-ND2 3.38Å
558	S	91.2	Very high	84.6	Confident	36 Å²	36	50.4 Å²	50.4	25%	0.252	29%	0.29	S	S	.	.	S	Bend	trans	-61.6	-15.6	-177.9	65.6	0	0	0	0	115.3	V565 F606 D658	S558-V565 WeakPolarHBondContact CB-O 3.32Å; S558-V565 PolarHBondContact N-O 2.89Å; S558-V565 PolarHBondContact OG-N 2.84Å; S558-V565 PolarHBondContact OG-O 2.71Å; S558-F606 WeakPolarHBondContact O-CZ 3.23Å; S558-D658 WeakPolarHBondContact CB-O 3.35Å; S558-D658 PolarHBondContact OG-O 3.35Å
559	R	89.2	Confident	84.6	Confident	32 Å²	32	50.1 Å²	50.1	12%	0.121	29%	0.294	C	S	.	.			trans	-139.5	146.3	177.9	-63	173.5	56.6	-161.9	-7.4	110	C557 C561 G562 G563 N595 F606 G659	C557-R559 PolarHBondContact O-N 3.01Å; C557-R559 PolarHBondContact SG-O 2.66Å; R559-C561 PolarHBondContact NE-O 2.87Å; R559-C561 PolarHBondContact NH2-O 2.84Å; R559-G562 PolarHBondContact NH1-O 3.17Å; R559-G562 PolarHBondContact NH2-O 3.26Å; R559-G563 PolarHBondContact NH1-O 3.29Å; R559-N595 WeakPolarHBondContact O-CB 3.41Å; R559-N595 PolarHBondContact O-ND2 3Å; R559-F606 HydrophobicContact CG-CD1 3.96Å; R559-F606 HydrophobicContact CG-CD2 4.29Å; R559-F606 HydrophobicContact CG-CE1 3.59Å; R559-F606 HydrophobicContact CG-CE2 3.97Å; R559-F606 HydrophobicContact CG-CG 4.3Å; R559-F606 HydrophobicContact CG-CZ 3.6Å; R559-G659 WeakPolarHBondContact CD-O 3.31Å; R559-G659 PolarHBondContact NH1-O 3Å
560	T	88.8	Confident	85.1	Confident	132 Å²	132	52.3 Å²	52.3	81%	0.81	30%	0.301	S	S	*	.	S	Bend	trans	-81.1	-17.8	175.3	48.2	0	0	0	0	113.5
561	C	87.1	Confident	85	Confident	25 Å²	25	49 Å²	49	17%	0.169	28%	0.281	C	S	.	.	S	Bend	trans	-155.7	164.8	179.1	61.1	0	0	0	0	112	R559 N595 C599	R559-C561 PolarHBondContact NE-O 2.87Å; R559-C561 PolarHBondContact NH2-O 2.84Å; C561-N595 CarbonylContact C-O 3.59Å; C561-C599 HydrophobicContact CB-CB 3.97Å; C561-C599 WeakPolarHBondContact CB-SG 3.5Å; C561-C599 PolarHBondContact O-SG 2.97Å; C561-C599 VanDerWaalsContact O-SG 3.34Å; C561-C599 WeakPolarHBondContact SG-CA 3.5Å; C561-C599 WeakPolarHBondContact SG-CB 3.44Å; C561-C599 CovalentContact SG-SG 2.05Å; C561-C599 PolarHBondContact SG-SG 2.83Å
562	G	82.3	Confident	84.4	Confident	5 Å²	5	46.2 Å²	46.2	5%	0.052	27%	0.271	C	S	.	.	S	Bend	trans	77.3	19.4	165.7	0	0	0	0	0	115.4	R559 N595 D597 R682	R559-G562 PolarHBondContact NH1-O 3.17Å; R559-G562 PolarHBondContact NH2-O 3.26Å; G562-N595 PolarHBondContact N-O 3.36Å; G562-D597 WeakPolarHBondContact CA-O 3.39Å; G562-D597 PolarHBondContact N-O 2.91Å; G562-R682 PolarHBondContact O-NH1 2.9Å; G562-R682 VanDerWaalsContact O-NH1 3.09Å
563	G	86.6	Confident	84	Confident	7 Å²	7	46.3 Å²	46.3	7%	0.072	27%	0.268	C	S	.	.	S	Bend	trans	92.5	83.9	-177.1	0	0	0	0	0	112.4	R559 N595	R559-G563 PolarHBondContact NH1-O 3.29Å; G563-N595 PolarHBondContact N-O 2.88Å
564	G	89.4	Confident	83.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	174	167.8	0	0	0	0	0	112.6	S593 C594	G564-S593 CarbonylContact O-C 3.6Å; G564-S593 WeakPolarHBondContact O-CA 3.31Å; G564-C594 VanDerWaalsContact C-SG 3.57Å; G564-C594 WeakPolarHBondContact CA-O 3.5Å; G564-C594 PolarHBondContact N-O 3.02Å; G564-C594 PolarHBondContact O-N 2.02Å
565	V	92.2	Very high	81.9	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.8	179	174.6	0	0	0	0	109.8	S558 F591 R592 D658 V669 V671	S558-V565 WeakPolarHBondContact CB-O 3.32Å; S558-V565 PolarHBondContact N-O 2.89Å; S558-V565 PolarHBondContact OG-N 2.84Å; S558-V565 PolarHBondContact OG-O 2.71Å; V565-F591 HydrophobicContact CG1-CB 4.19Å; V565-F591 HydrophobicContact CG1-CD1 3.88Å; V565-R592 WeakPolarHBondContact CA-O 3.46Å; V565-D658 HydrophobicContact CB-CB 4.02Å; V565-D658 HydrophobicContact CG1-CB 4.13Å; V565-V669 HydrophobicContact CG2-CG2 4.1Å; V565-V671 HydrophobicContact CG1-CG1 4.32Å; V565-V671 HydrophobicContact CG2-CG2 4.18Å
566	S	90.6	Very high	80.6	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.6	175.1	165.1	0	0	0	0	108.3	G555 F591 R592 C594	G555-S566 PolarHBondContact O-OG 3.35Å; S566-F591 CarbonylContact O-C 3.56Å; S566-F591 WeakPolarHBondContact O-CA 3.43Å; S566-R592 PolarHBondContact N-O 2.89Å; S566-R592 PolarHBondContact O-N 2.91Å; S566-C594 VanDerWaalsContact CB-SG 3.59Å; S566-C594 PolarHBondContact N-SG 2.9Å
567	S	89.3	Confident	79	Confident	34 Å²	34	42.1 Å²	42.1	24%	0.238	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	156.8	-178.7	74.2	0	0	0	0	113.1	G555 R590	G555-S567 PolarHBondContact N-O 2.95Å; S567-R590 CarbonylContact C-O 3.57Å; S567-R590 VanDerWaalsContact CA-O 3.24Å; S567-R590 WeakPolarHBondContact CA-O 3.22Å; S567-R590 WeakPolarHBondContact CB-O 3.07Å
568	S	85.1	Confident	77.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.6	179.2	165.2	0	0	0	0	107.4	W551 S552 W554 K589 R590	W551-S568 WeakPolarHBondContact CZ3-O 3.49Å; S552-S568 PolarHBondContact O-OG 2.92Å; S552-S568 WeakPolarHBondContact OG-CA 3.27Å; W554-S568 VanDerWaalsContact CE3-CB 3.48Å; S568-K589 WeakPolarHBondContact O-CA 3.17Å; S568-R590 PolarHBondContact N-O 3.12Å; S568-R590 PolarHBondContact O-N 3.16Å; S568-R590 PolarHBondContact OG-NE 2.77Å; S568-R590 VanDerWaalsContact OG-NE 3.13Å; S568-R590 PolarHBondContact OG-NH2 3.02Å
569	V	78.8	Confident	75.1	Confident	48 Å²	48	44.9 Å²	44.9	29%	0.291	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.8	-170.8	176.1	0	0	0	0	109.4	S552 R588 K589	S552-V569 VanDerWaalsContact CB-O 3.29Å; S552-V569 WeakPolarHBondContact CB-O 3.37Å; S552-V569 PolarHBondContact N-O 3.35Å; S552-V569 PolarHBondContact OG-N 3.03Å; S552-V569 PolarHBondContact OG-O 3.45Å; V569-R588 WeakPolarHBondContact CA-O 3.19Å; V569-K589 HydrophobicContact CG2-CB 4.24Å; V569-K589 HydrophobicContact CG2-CD 4.32Å; V569-K589 HydrophobicContact CG2-CG 3.92Å
570	R	78	Confident	73.2	Confident	51 Å²	51	47.1 Å²	47.1	19%	0.192	28%	0.277	C	S	.	.			trans	-134.3	157.9	167.2	60.7	177.9	179.6	171.9	-0.5	111.1	W548 L550 W551 E587 R588	W548-R570 HydrophobicContact CD2-CG 4.31Å; W548-R570 HydrophobicContact CE3-CG 3.69Å; W548-R570 VanDerWaalsContact CG-CZ 3.43Å; W548-R570 HydrophobicContact CZ3-CG 4.15Å; L550-R570 WeakPolarHBondContact O-CB 3.46Å; W551-R570 HydrophobicContact CD2-CB 4.19Å; W551-R570 HydrophobicContact CD2-CG 4.03Å; W551-R570 HydrophobicContact CE3-CB 3.94Å; W551-R570 HydrophobicContact CE3-CG 3.79Å; W551-R570 HydrophobicContact CH2-CG 3.98Å; W551-R570 HydrophobicContact CZ2-CG 4.21Å; W551-R570 HydrophobicContact CZ3-CB 4.34Å; W551-R570 HydrophobicContact CZ3-CG 3.75Å; R570-E587 VanDerWaalsContact CZ-O 3.25Å; R570-E587 PolarHBondContact NE-O 3.35Å; R570-E587 PolarHBondContact NH2-O 2.8Å; R570-R588 PolarHBondContact N-O 3.5Å
571	H	70.2	Confident	71.6	Confident	96 Å²	96	41.4 Å²	41.4	44%	0.444	24%	0.244	S	C	.	.			trans	-113.6	159.8	-179	-58.8	-48.9	0	0	0	111.3	G549 D573	G549-H571 PolarHBondContact N-O 2.9Å; H571-D573 VanDerWaalsContact C-N 3.34Å; H571-D573 PolarHBondContact O-N 2.9Å
572	C	69.3	Low	70.5	Confident	8 Å²	8	46.9 Å²	46.9	5%	0.054	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-87.3	75.9	176.4	-173	0	0	0	0	109.4	G547 W548 P577 Y583 C584	G547-C572 CarbonylContact O-C 3.55Å; W548-C572 HydrophobicContact CZ3-CB 4.37Å; C572-P577 WeakPolarHBondContact O-CD 3.38Å; C572-Y583 HydrophobicContact CB-CD2 4.1Å; C572-Y583 HydrophobicContact CB-CE1 4.11Å; C572-Y583 HydrophobicContact CB-CE2 3.45Å; C572-Y583 VanDerWaalsContact CB-CE2 3.45Å; C572-Y583 VanDerWaalsContact CB-CZ 3.44Å; C572-C584 WeakPolarHBondContact CA-SG 3.48Å; C572-C584 HydrophobicContact CB-CB 3.64Å; C572-C584 WeakPolarHBondContact CB-SG 3.14Å; C572-C584 WeakPolarHBondContact SG-CB 3.44Å; C572-C584 PolarHBondContact SG-N 3.24Å; C572-C584 CovalentContact SG-SG 2.03Å; C572-C584 PolarHBondContact SG-SG 3.4Å
573	D	64	Low	70.2	Confident	54 Å²	54	48.4 Å²	48.4	29%	0.289	27%	0.27	S	S	.	.			trans	-140.3	5	-170.4	65	8.5	0	0	0	117.2	G547 G549 H571 P575 R576	G547-D573 PolarHBondContact O-N 2.8Å; G547-D573 VanDerWaalsContact O-N 3.11Å; G549-D573 WeakPolarHBondContact CA-OD1 3.24Å; H571-D573 VanDerWaalsContact C-N 3.34Å; H571-D573 PolarHBondContact O-N 2.9Å; D573-P575 CarbonylContact C-O 3.36Å; D573-P575 CarbonylContact O-C 3.5Å; D573-P575 WeakPolarHBondContact O-CA 3.31Å; D573-R576 VanDerWaalsContact C-N 3.33Å; D573-R576 VanDerWaalsContact CA-CG 3.42Å; D573-R576 HydrophobicContact CB-CG 3.52Å; D573-R576 PolarHBondContact O-N 2.87Å
574	S	64.9	Low	69.9	Low	71 Å²	71	48.3 Å²	48.3	50%	0.497	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	69.8	-177.4	-59	0	0	0	0	111.9	G547 G549	G547-S574 CarbonylContact C-O 3.54Å; G547-S574 WeakPolarHBondContact CA-O 3.29Å; G547-S574 CarbonylContact O-C 3.54Å; G547-S574 PolarHBondContact O-N 2.98Å; G549-S574 VanDerWaalsContact CA-OG 3.28Å; G549-S574 WeakPolarHBondContact CA-OG 3.48Å
575	P	59.5	Low	69.6	Low	66 Å²	66	52.8 Å²	52.8	43%	0.429	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.1	166.9	-0.7	34.9	-37	0	0	0	113.2	V544 G546 G547 D573	V544-P575 HydrophobicContact CG1-CB 4.31Å; V544-P575 HydrophobicContact CG1-CG 3.67Å; G546-P575 WeakPolarHBondContact CA-O 3.43Å; G547-P575 PolarHBondContact N-O 3.19Å; D573-P575 CarbonylContact C-O 3.36Å; D573-P575 CarbonylContact O-C 3.5Å; D573-P575 WeakPolarHBondContact O-CA 3.31Å
576	R	53.6	Low	69.1	Low	163 Å²	163	53.7 Å²	53.7	62%	0.615	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-69	140.7	167.8	-73.2	-179.2	-176.4	178	3.8	110	D573 T578	D573-R576 VanDerWaalsContact C-N 3.33Å; D573-R576 VanDerWaalsContact CA-CG 3.42Å; D573-R576 HydrophobicContact CB-CG 3.52Å; D573-R576 PolarHBondContact O-N 2.87Å; R576-T578 PolarHBondContact O-N 2.82Å
577	P	57.7	Low	68.7	Low	12 Å²	12	58 Å²	58	8%	0.078	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-56	137.6	170.9	-15.1	21.1	0	0	0	111.6	V544 C572 Y583	V544-P577 CarbonylContact O-C 3.57Å; V544-P577 WeakPolarHBondContact O-CA 3.23Å; C572-P577 WeakPolarHBondContact O-CD 3.38Å; P577-Y583 HydrophobicContact CG-CD2 4.08Å
578	T	53.2	Low	68.4	Low	56 Å²	56	57.4 Å²	57.4	34%	0.344	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-133	145.1	175.1	71	0	0	0	0	111.8	G543 V544 R576 G580 G581	G543-T578 CarbonylContact C-O 3.29Å; G543-T578 WeakPolarHBondContact CA-O 3.47Å; V544-T578 WeakPolarHBondContact CB-OG1 3.35Å; V544-T578 PolarHBondContact N-O 2.99Å; V544-T578 PolarHBondContact N-OG1 3.18Å; V544-T578 PolarHBondContact O-N 2.96Å; R576-T578 PolarHBondContact O-N 2.82Å; T578-G580 PolarHBondContact O-N 2.82Å; T578-G581 WeakPolarHBondContact O-CA 3.48Å; T578-G581 PolarHBondContact O-N 3.03Å
579	I	48.2	Very low	68.3	Low	73 Å²	73	59.7 Å²	59.7	37%	0.374	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.8	62.7	164	-46.3	174.2	0	0	0	113.7	F530 P541 G543 G581	F530-I579 HydrophobicContact CZ-CD1 3.84Å; F530-I579 HydrophobicContact CZ-CG1 4.49Å; P541-I579 HydrophobicContact CB-CD1 3.82Å; P541-I579 HydrophobicContact CG-CD1 3.98Å; P541-I579 WeakPolarHBondContact O-CD1 3.4Å; G543-I579 WeakPolarHBondContact CA-O 3.24Å; I579-G581 VanDerWaalsContact C-N 3.3Å; I579-G581 PolarHBondContact O-N 3.45Å
580	G	49.4	Very low	68.7	Low	78 Å²	78	61.2 Å²	61.2	80%	0.804	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-3.7	178.5	0	0	0	0	0	115.3	T578	T578-G580 PolarHBondContact O-N 2.82Å
581	G	54.2	Low	69.3	Low	12 Å²	12	60.8 Å²	60.8	12%	0.124	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-64.3	143.2	165.3	0	0	0	0	0	112.1	D545 T578 I579	D545-G581 VanDerWaalsContact OD1-CA 3.23Å; D545-G581 WeakPolarHBondContact OD1-CA 3.4Å; T578-G581 WeakPolarHBondContact O-CA 3.48Å; T578-G581 PolarHBondContact O-N 3.03Å; I579-G581 VanDerWaalsContact C-N 3.3Å; I579-G581 PolarHBondContact O-N 3.45Å
582	K	63.6	Low	70.3	Confident	141 Å²	141	61.6 Å²	61.6	61%	0.613	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-72.1	148.3	-171.4	-61.2	169.5	-157.7	122.6	0	112.4	D545 G546	D545-K582 PolarHBondContact OD1-N 2.97Å; D545-K582 IonicContact OD2-NZ 3.75Å; D545-K582 PolarHBondContact OD2-NZ 2.68Å; G546-K582 PolarHBondContact N-O 3.15Å
583	Y	76.3	Confident	71.3	Confident	36 Å²	36	62.5 Å²	62.5	14%	0.141	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-74.1	149.2	167.7	-166.9	-93.2	0	0	0	111.4	G278 A280 C572 P577 L585	G278-Y583 WeakPolarHBondContact CA-OH 3.37Å; G278-Y583 WeakPolarHBondContact O-CE1 3.47Å; G278-Y583 VanDerWaalsContact O-CZ 3.28Å; G278-Y583 PolarHBondContact O-OH 2.92Å; A280-Y583 HydrophobicContact CB-CD1 4.36Å; C572-Y583 HydrophobicContact CB-CD2 4.1Å; C572-Y583 HydrophobicContact CB-CE1 4.11Å; C572-Y583 HydrophobicContact CB-CE2 3.45Å; C572-Y583 VanDerWaalsContact CB-CE2 3.45Å; C572-Y583 VanDerWaalsContact CB-CZ 3.44Å; P577-Y583 HydrophobicContact CG-CD2 4.08Å; Y583-L585 PolarHBondContact O-N 3.31Å
584	C	80.3	Confident	72.7	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.041	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.1	124.4	-175.1	-54.2	0	0	0	0	112	S233 G546 W548 C572	S233-C584 WeakPolarHBondContact CB-O 3.18Å; G546-C584 PolarHBondContact O-SG 3.26Å; W548-C584 HydrophobicContact CD2-CB 3.66Å; W548-C584 HydrophobicContact CE3-CB 4.07Å; W548-C584 HydrophobicContact CG-CB 4.16Å; W548-C584 HydrophobicContact CH2-CB 3.92Å; W548-C584 HydrophobicContact CZ2-CB 3.53Å; W548-C584 VanDerWaalsContact CZ2-O 3.29Å; W548-C584 WeakPolarHBondContact CZ2-O 3.43Å; W548-C584 HydrophobicContact CZ3-CB 4.19Å; C572-C584 WeakPolarHBondContact CA-SG 3.48Å; C572-C584 HydrophobicContact CB-CB 3.64Å; C572-C584 WeakPolarHBondContact CB-SG 3.14Å; C572-C584 WeakPolarHBondContact SG-CB 3.44Å; C572-C584 PolarHBondContact SG-N 3.24Å; C572-C584 CovalentContact SG-SG 2.03Å; C572-C584 PolarHBondContact SG-SG 3.4Å
585	L	83.9	Confident	73.9	Confident	93 Å²	93	61.1 Å²	61.1	49%	0.487	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-95.7	153.8	173	-56.3	-179.2	0	0	0	110.8	E235 A280 W548 Y583	E235-L585 HydrophobicContact CG-CD1 4.24Å; E235-L585 HydrophobicContact CG-CD2 4.12Å; A280-L585 HydrophobicContact CB-CD2 3.96Å; W548-L585 PolarHBondContact NE1-O 2.87Å; Y583-L585 PolarHBondContact O-N 3.31Å
586	G	82.3	Confident	75.2	Confident	26 Å²	26	61.3 Å²	61.3	27%	0.268	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.8	-172.3	-178	0	0	0	0	0	113.8	V232 S233 R588	V232-G586 CarbonylContact C-O 3.58Å; V232-G586 WeakPolarHBondContact CA-O 3.05Å; S233-G586 PolarHBondContact N-O 3.04Å; S233-G586 PolarHBondContact O-N 2.91Å; G586-R588 PolarHBondContact O-N 2.91Å
587	E	81.3	Confident	76.7	Confident	93 Å²	93	59.7 Å²	59.7	44%	0.435	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	122.2	-173.5	-69	-175.9	169	0	0	113	S231 V232 W551 R570	S231-E587 CarbonylContact O-C 3.56Å; S231-E587 WeakPolarHBondContact O-CA 3.07Å; V232-E587 HydrophobicContact CG2-CG 3.87Å; W551-E587 HydrophobicContact CH2-CB 4.12Å; W551-E587 HydrophobicContact CZ2-CB 4.37Å; R570-E587 VanDerWaalsContact CZ-O 3.25Å; R570-E587 PolarHBondContact NE-O 3.35Å; R570-E587 PolarHBondContact NH2-O 2.8Å
588	R	82	Confident	77.9	Confident	23 Å²	23	66.1 Å²	66.1	9%	0.087	35%	0.348	C	S	.	.	S	Bend	trans	-99.6	-27.7	174	60.4	169	169.2	-154.3	-5.8	113.7	S231 N279 D444 W548 W551 V569 R570 G586	S231-R588 WeakPolarHBondContact O-CG 3.45Å; S231-R588 PolarHBondContact O-N 3.1Å; N279-R588 PolarHBondContact OD1-NH1 2.59Å; D444-R588 IonicContact OD1-CZ 2.68Å; D444-R588 IonicContact OD1-NH2 3.04Å; D444-R588 PolarHBondContact OD1-NH2 3.08Å; D444-R588 IonicContact OD2-CZ 3.75Å; D444-R588 IonicContact OD2-NE 2.62Å; D444-R588 IonicContact OD2-NH2 2.9Å; D444-R588 PolarHBondContact OD2-NH2 3.01Å; W548-R588 HydrophobicContact CH2-CB 3.73Å; W548-R588 HydrophobicContact CZ3-CB 4.12Å; W551-R588 WeakPolarHBondContact CZ3-O 3.38Å; V569-R588 WeakPolarHBondContact CA-O 3.19Å; R570-R588 PolarHBondContact N-O 3.5Å; G586-R588 PolarHBondContact O-N 2.91Å
589	K	84.1	Confident	79.3	Confident	48 Å²	48	65.5 Å²	65.5	21%	0.209	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	127.9	-178	-177.4	176.7	-179.8	-165.1	0	109.1	S231 S568 V569 F591 N672	S231-K589 WeakPolarHBondContact CB-O 3.06Å; S231-K589 PolarHBondContact O-N 3.48Å; S568-K589 WeakPolarHBondContact O-CA 3.17Å; V569-K589 HydrophobicContact CG2-CB 4.24Å; V569-K589 HydrophobicContact CG2-CD 4.32Å; V569-K589 HydrophobicContact CG2-CG 3.92Å; K589-F591 HydrophobicContact CD-CE1 4.18Å; K589-F591 HydrophobicContact CD-CE2 4.3Å; K589-F591 HydrophobicContact CD-CZ 3.61Å; K589-F591 VanDerWaalsContact CE-CE1 3.44Å; K589-F591 HydrophobicContact CG-CE1 4.34Å; K589-F591 HydrophobicContact CG-CE2 4Å; K589-F591 HydrophobicContact CG-CZ 3.75Å; K589-N672 PolarHBondContact NZ-OD1 3.14Å
590	R	87.3	Confident	81.1	Confident	80 Å²	80	66.4 Å²	66.4	30%	0.302	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158.7	178	65	-179.6	179	167.4	2.6	110.7	W551 W554 S567 S568	W551-R590 VanDerWaalsContact CB-NH2 3.26Å; W551-R590 HydrophobicContact CD2-CG 4.28Å; W551-R590 HydrophobicContact CE3-CG 3.82Å; W551-R590 VanDerWaalsContact CG-CZ 3.45Å; W551-R590 HydrophobicContact CH2-CB 3.92Å; W551-R590 HydrophobicContact CH2-CG 3.88Å; W551-R590 HydrophobicContact CZ2-CB 4.47Å; W551-R590 HydrophobicContact CZ2-CG 4.32Å; W551-R590 HydrophobicContact CZ3-CB 4.06Å; W551-R590 HydrophobicContact CZ3-CG 3.61Å; W554-R590 HydrophobicContact CH2-CG 3.73Å; W554-R590 HydrophobicContact CZ2-CG 4.4Å; W554-R590 HydrophobicContact CZ3-CG 4.15Å; S567-R590 CarbonylContact C-O 3.57Å; S567-R590 VanDerWaalsContact CA-O 3.24Å; S567-R590 WeakPolarHBondContact CA-O 3.22Å; S567-R590 WeakPolarHBondContact CB-O 3.07Å; S568-R590 PolarHBondContact N-O 3.12Å; S568-R590 PolarHBondContact O-N 3.16Å; S568-R590 PolarHBondContact OG-NE 2.77Å; S568-R590 VanDerWaalsContact OG-NE 3.13Å; S568-R590 PolarHBondContact OG-NH2 3.02Å
591	F	90.3	Very high	82.4	Confident	42 Å²	42	68 Å²	68	18%	0.184	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.9	-171.2	-58.7	-91.3	0	0	0	111.3	V565 S566 K589 D658 V671 N672 L684	V565-F591 HydrophobicContact CG1-CB 4.19Å; V565-F591 HydrophobicContact CG1-CD1 3.88Å; S566-F591 CarbonylContact O-C 3.56Å; S566-F591 WeakPolarHBondContact O-CA 3.43Å; K589-F591 HydrophobicContact CD-CE1 4.18Å; K589-F591 HydrophobicContact CD-CE2 4.3Å; K589-F591 HydrophobicContact CD-CZ 3.61Å; K589-F591 VanDerWaalsContact CE-CE1 3.44Å; K589-F591 HydrophobicContact CG-CE1 4.34Å; K589-F591 HydrophobicContact CG-CE2 4Å; K589-F591 HydrophobicContact CG-CZ 3.75Å; F591-D658 WeakPolarHBondContact CE1-OD2 3.42Å; F591-V671 HydrophobicContact CB-CG1 4.02Å; F591-V671 HydrophobicContact CD1-CG1 3.3Å; F591-V671 HydrophobicContact CD2-CG1 3.81Å; F591-V671 HydrophobicContact CE1-CG1 3.53Å; F591-V671 HydrophobicContact CE2-CG1 4.04Å; F591-V671 HydrophobicContact CG-CG1 3.43Å; F591-V671 VanDerWaalsContact CG-CG1 3.43Å; F591-V671 HydrophobicContact CZ-CG1 3.9Å; F591-N672 HydrophobicContact CE1-CB 4.5Å; F591-N672 HydrophobicContact CE2-CB 4.41Å; F591-N672 HydrophobicContact CZ-CB 3.77Å; F591-L684 HydrophobicContact CB-CD2 3.9Å
592	R	90.2	Very high	83.4	Confident	113 Å²	113	71.3 Å²	71.3	43%	0.426	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	154.7	170.9	66.5	179.6	-179.8	160.1	3.9	110.8	W554 V565 S566	W554-R592 VanDerWaalsContact CB-NH2 3.27Å; W554-R592 HydrophobicContact CD2-CG 4.19Å; W554-R592 VanDerWaalsContact CD2-NE 3.28Å; W554-R592 HydrophobicContact CE3-CG 3.74Å; W554-R592 VanDerWaalsContact CG-CZ 3.42Å; W554-R592 HydrophobicContact CH2-CB 3.98Å; W554-R592 HydrophobicContact CH2-CG 3.95Å; W554-R592 HydrophobicContact CZ2-CG 4.38Å; W554-R592 HydrophobicContact CZ3-CB 4.04Å; W554-R592 HydrophobicContact CZ3-CG 3.62Å; V565-R592 WeakPolarHBondContact CA-O 3.46Å; S566-R592 PolarHBondContact N-O 2.89Å; S566-R592 PolarHBondContact O-N 2.91Å
593	S	91.6	Very high	84.1	Confident	26 Å²	26	68.1 Å²	68.1	18%	0.182	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	152.8	164.7	-68.9	0	0	0	0	111.7	G564 R682 V683 L684	G564-S593 CarbonylContact O-C 3.6Å; G564-S593 WeakPolarHBondContact O-CA 3.31Å; S593-R682 WeakPolarHBondContact CB-O 3.34Å; S593-R682 PolarHBondContact OG-O 3.27Å; S593-V683 WeakPolarHBondContact OG-CA 3.29Å; S593-L684 PolarHBondContact OG-N 2.86Å
594	C	92.3	Very high	84.3	Confident	19 Å²	19	72.2 Å²	72.2	13%	0.128	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.6	172.3	48	0	0	0	0	109.3	C557 G564 S566 I596	C557-C594 WeakPolarHBondContact CA-SG 3.48Å; C557-C594 HydrophobicContact CB-CB 3.85Å; C557-C594 WeakPolarHBondContact CB-SG 3.3Å; C557-C594 VanDerWaalsContact SG-C 3.54Å; C557-C594 WeakPolarHBondContact SG-CB 3.43Å; C557-C594 CovalentContact SG-SG 2.02Å; C557-C594 PolarHBondContact SG-SG 3.41Å; G564-C594 VanDerWaalsContact C-SG 3.57Å; G564-C594 WeakPolarHBondContact CA-O 3.5Å; G564-C594 PolarHBondContact N-O 3.02Å; G564-C594 PolarHBondContact O-N 2.02Å; S566-C594 VanDerWaalsContact CB-SG 3.59Å; S566-C594 PolarHBondContact N-SG 2.9Å; C594-I596 VanDerWaalsContact C-N 3.34Å; C594-I596 PolarHBondContact O-N 3.07Å
595	N	91.4	Very high	84.5	Confident	77 Å²	77	74.2 Å²	74.2	41%	0.412	42%	0.415	S	S	.	.			trans	48.5	53.1	178	-58.7	-11.9	0	0	0	113	C557 R559 C561 G562 G563	C557-N595 WeakPolarHBondContact CB-ND2 3.38Å; R559-N595 WeakPolarHBondContact O-CB 3.41Å; R559-N595 PolarHBondContact O-ND2 3Å; C561-N595 CarbonylContact C-O 3.59Å; G562-N595 PolarHBondContact N-O 3.36Å; G563-N595 PolarHBondContact N-O 2.88Å
596	I	87.2	Confident	84.8	Confident	71 Å²	71	72 Å²	72	36%	0.364	40%	0.402	S	S	.	.			trans	-77.2	-17	-173.9	59.4	172.4	0	0	0	113.9	C594 R682	C594-I596 VanDerWaalsContact C-N 3.34Å; C594-I596 PolarHBondContact O-N 3.07Å; I596-R682 HydrophobicContact CB-CB 4.23Å; I596-R682 HydrophobicContact CG2-CB 4.21Å; I596-R682 WeakPolarHBondContact O-CD 3.47Å
597	D	85.2	Confident	85.2	Confident	128 Å²	128	71 Å²	71	68%	0.684	39%	0.39	S	S	*	.	S	Bend	trans	-56.2	142.6	174.5	-66.6	-78.5	0	0	0	111.7	G562	G562-D597 WeakPolarHBondContact CA-O 3.39Å; G562-D597 PolarHBondContact N-O 2.91Å
598	E	82.1	Confident	85.6	Confident	148 Å²	148	69.1 Å²	69.1	69%	0.692	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-62.5	144.9	-175.1	-53.3	-156.6	117.8	0	0	112.9	R682	E598-R682 IonicContact OE1-CZ 2.8Å; E598-R682 IonicContact OE1-NH2 2.87Å; E598-R682 PolarHBondContact OE1-NH2 2.61Å
599	C	83.2	Confident	86	Confident	43 Å²	43	71.1 Å²	71.1	29%	0.291	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-69.2	149.7	173.2	-68.5	0	0	0	0	111.4	C561 C603	C561-C599 HydrophobicContact CB-CB 3.97Å; C561-C599 WeakPolarHBondContact CB-SG 3.5Å; C561-C599 PolarHBondContact O-SG 2.97Å; C561-C599 VanDerWaalsContact O-SG 3.34Å; C561-C599 WeakPolarHBondContact SG-CA 3.5Å; C561-C599 WeakPolarHBondContact SG-CB 3.44Å; C561-C599 CovalentContact SG-SG 2.05Å; C561-C599 PolarHBondContact SG-SG 2.83Å; C599-C603 HydrophobicContact CB-CB 4.26Å
600	P	85.8	Confident	86.4	Confident	91 Å²	91	69.3 Å²	69.3	59%	0.591	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-52.2	148	172.5	-27.6	35.1	0	0	0	113.7	G602 C603	P600-G602 PolarHBondContact O-N 2.83Å; P600-C603 PolarHBondContact O-N 2.95Å; P600-C603 PolarHBondContact O-SG 3.18Å; P600-C603 VanDerWaalsContact O-SG 3.34Å
601	A	77	Confident	86.7	Confident	111 Å²	111	65.5 Å²	65.5	92%	0.917	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	131	174.2	0	0	0	0	0	110.6
602	G	74.3	Confident	86.8	Confident	82 Å²	82	64.6 Å²	64.6	85%	0.845	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	2	-177.6	0	0	0	0	0	115.8	P600	P600-G602 PolarHBondContact O-N 2.83Å
603	C	78.1	Confident	86.8	Confident	74 Å²	74	64 Å²	64	50%	0.5	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-62	136.8	168.5	-72.5	0	0	0	0	111.9	C599 P600	C599-C603 HydrophobicContact CB-CB 4.26Å; P600-C603 PolarHBondContact O-N 2.95Å; P600-C603 PolarHBondContact O-SG 3.18Å; P600-C603 VanDerWaalsContact O-SG 3.34Å
604	R	80.8	Confident	86.7	Confident	123 Å²	123	63.9 Å²	63.9	46%	0.464	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-63.8	157.4	171.9	-67.2	175.6	71.4	-151.3	1.4	111.3	F606 E608 I609 S612	R604-F606 PolarHBondContact O-N 2.8Å; R604-E608 IonicContact CZ-OE1 3.1Å; R604-E608 IonicContact NE-OE1 3.53Å; R604-E608 PolarHBondContact NE-OE1 2.85Å; R604-E608 IonicContact NE-OE2 3.45Å; R604-E608 IonicContact NH2-OE1 2.96Å; R604-E608 PolarHBondContact NH2-OE1 3.08Å; R604-I609 HydrophobicContact CB-CD1 4.36Å; R604-I609 HydrophobicContact CB-CG1 4.16Å; R604-S612 PolarHBondContact NH1-OG 3.26Å; R604-S612 PolarHBondContact NH2-OG 3.1Å
605	D	84.4	Confident	86.5	Confident	48 Å²	48	65.3 Å²	65.3	26%	0.257	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-62.2	133	172.8	167.5	19	0	0	0	110.1	R607 E608 I609 R630	D605-R607 PolarHBondContact O-N 2.85Å; D605-R607 PolarHBondContact OD1-N 2.53Å; D605-E608 HydrophobicContact CB-CB 3.84Å; D605-E608 WeakPolarHBondContact O-CA 2.99Å; D605-E608 VanDerWaalsContact O-CB 3.29Å; D605-E608 WeakPolarHBondContact O-CB 3.43Å; D605-E608 PolarHBondContact O-N 3.37Å; D605-I609 PolarHBondContact O-N 2.88Å; D605-R630 IonicContact OD1-NH2 3.31Å; D605-R630 IonicContact OD2-CZ 3.79Å; D605-R630 IonicContact OD2-NH1 2.68Å; D605-R630 IonicContact OD2-NH2 3.78Å; D605-R630 PolarHBondContact OD2-NH2 3.07Å
606	F	89.4	Confident	86.3	Confident	46 Å²	46	66 Å²	66	20%	0.202	39%	0.389	C	S	.	.	H	α-helix	trans	-62.6	-25.8	179.9	-171.3	-120.6	0	0	0	112.7	S558 R559 R604 Q610 V657 T660	S558-F606 WeakPolarHBondContact O-CZ 3.23Å; R559-F606 HydrophobicContact CG-CD1 3.96Å; R559-F606 HydrophobicContact CG-CD2 4.29Å; R559-F606 HydrophobicContact CG-CE1 3.59Å; R559-F606 HydrophobicContact CG-CE2 3.97Å; R559-F606 HydrophobicContact CG-CG 4.3Å; R559-F606 HydrophobicContact CG-CZ 3.6Å; R604-F606 PolarHBondContact O-N 2.8Å; F606-Q610 WeakPolarHBondContact O-CG 3.14Å; F606-Q610 PolarHBondContact O-N 2.88Å; F606-Q610 PolarHBondContact O-NE2 3.45Å; F606-V657 HydrophobicContact CE1-CB 3.96Å; F606-V657 HydrophobicContact CE1-CG1 3.94Å; F606-V657 HydrophobicContact CZ-CB 4.18Å; F606-V657 HydrophobicContact CZ-CG1 3.89Å; F606-T660 HydrophobicContact CD1-CG2 4.35Å; F606-T660 VanDerWaalsContact CD1-OG1 3.27Å; F606-T660 WeakPolarHBondContact CD1-OG1 3.47Å; F606-T660 WeakPolarHBondContact CE1-OG1 2.98Å
607	R	90.9	Very high	85.8	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.019	38%	0.382	C	S	.	.	H	α-helix	trans	-79.2	-28.9	171.7	-164.1	175.7	-66.2	-153.5	-7.4	112.8	D605 Q610 C611 P628 P636 L639 T660 P661	D605-R607 PolarHBondContact O-N 2.85Å; D605-R607 PolarHBondContact OD1-N 2.53Å; R607-Q610 PolarHBondContact O-N 3.01Å; R607-C611 PolarHBondContact O-N 3.3Å; R607-C611 VanDerWaalsContact O-N 3.12Å; R607-P628 HydrophobicContact CB-CG 4.31Å; R607-P628 HydrophobicContact CG-CB 4.21Å; R607-P628 HydrophobicContact CG-CG 4.3Å; R607-P636 VanDerWaalsContact CZ-O 3.3Å; R607-P636 PolarHBondContact NH1-O 2.95Å; R607-P636 PolarHBondContact NH2-O 3Å; R607-L639 HydrophobicContact CG-CD1 3.97Å; R607-T660 HydrophobicContact CB-CG2 3.88Å; R607-T660 HydrophobicContact CG-CG2 4.3Å; R607-P661 PolarHBondContact NH2-O 3.49Å
608	E	90.9	Very high	85.5	Confident	53 Å²	53	62 Å²	62	25%	0.248	37%	0.374	C	S	.	.	H	α-helix	trans	-67.9	-41.8	174.6	-169.1	-154.8	143	0	0	111	R604 D605 Q610 C611 S612 P628	R604-E608 IonicContact CZ-OE1 3.1Å; R604-E608 IonicContact NE-OE1 3.53Å; R604-E608 PolarHBondContact NE-OE1 2.85Å; R604-E608 IonicContact NE-OE2 3.45Å; R604-E608 IonicContact NH2-OE1 2.96Å; R604-E608 PolarHBondContact NH2-OE1 3.08Å; D605-E608 HydrophobicContact CB-CB 3.84Å; D605-E608 WeakPolarHBondContact O-CA 2.99Å; D605-E608 VanDerWaalsContact O-CB 3.29Å; D605-E608 WeakPolarHBondContact O-CB 3.43Å; D605-E608 PolarHBondContact O-N 3.37Å; E608-Q610 PolarHBondContact O-N 3.17Å; E608-C611 PolarHBondContact O-N 2.84Å; E608-S612 PolarHBondContact O-N 3.08Å; E608-S612 PolarHBondContact O-OG 3.04Å; E608-P628 VanDerWaalsContact CA-CG 3.45Å; E608-P628 HydrophobicContact CB-CG 3.87Å; E608-P628 HydrophobicContact CG-CG 4.42Å
609	I	90.3	Very high	85.2	Confident	65 Å²	65	56.8 Å²	56.8	33%	0.333	35%	0.349	S	S	.	.	H	α-helix	trans	-54.9	-52.6	172.2	-64.5	169.8	0	0	0	110.2	R604 D605 C611 S612 D613	R604-I609 HydrophobicContact CB-CD1 4.36Å; R604-I609 HydrophobicContact CB-CG1 4.16Å; D605-I609 PolarHBondContact O-N 2.88Å; I609-C611 VanDerWaalsContact C-N 3.26Å; I609-C611 PolarHBondContact O-N 3.21Å; I609-S612 WeakPolarHBondContact CA-OG 3.39Å; I609-S612 PolarHBondContact O-N 3.29Å; I609-S612 PolarHBondContact O-OG 3.1Å; I609-D613 PolarHBondContact O-N 3.39Å; I609-D613 VanDerWaalsContact O-N 3.09Å
610	Q	92.9	Very high	85.1	Confident	11 Å²	11	65.3 Å²	65.3	5%	0.051	38%	0.375	C	S	.	.	H	α-helix	trans	-58.9	-30.3	178.2	-73.6	167.6	73.9	0	0	114.1	F606 R607 E608 F614 L639 V657 T660	F606-Q610 WeakPolarHBondContact O-CG 3.14Å; F606-Q610 PolarHBondContact O-N 2.88Å; F606-Q610 PolarHBondContact O-NE2 3.45Å; R607-Q610 PolarHBondContact O-N 3.01Å; E608-Q610 PolarHBondContact O-N 3.17Å; Q610-F614 WeakPolarHBondContact O-CD2 3.46Å; Q610-F614 WeakPolarHBondContact O-CE2 3.44Å; Q610-L639 HydrophobicContact CB-CD1 3.78Å; Q610-L639 HydrophobicContact CB-CD2 4.01Å; Q610-V657 HydrophobicContact CG-CG2 4.2Å; Q610-T660 PolarHBondContact NE2-OG1 3.45Å
611	C	92.1	Very high	84.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-73.7	-45.2	170.8	-78.3	0	0	0	0	111.3	R607 E608 I609 D613 F614 W626 C641	R607-C611 PolarHBondContact O-N 3.3Å; R607-C611 VanDerWaalsContact O-N 3.12Å; E608-C611 PolarHBondContact O-N 2.84Å; I609-C611 VanDerWaalsContact C-N 3.26Å; I609-C611 PolarHBondContact O-N 3.21Å; C611-D613 PolarHBondContact O-N 3.17Å; C611-F614 WeakPolarHBondContact O-CB 3.45Å; C611-F614 PolarHBondContact O-N 2.96Å; C611-W626 HydrophobicContact CB-CB 3.9Å; C611-W626 WeakPolarHBondContact CB-O 3.35Å; C611-W626 WeakPolarHBondContact O-CB 3.24Å; C611-C641 VanDerWaalsContact CA-SG 3.52Å; C611-C641 HydrophobicContact CB-CB 3.98Å; C611-C641 WeakPolarHBondContact CB-SG 3.16Å; C611-C641 WeakPolarHBondContact SG-CB 3.28Å; C611-C641 CovalentContact SG-SG 2.05Å; C611-C641 PolarHBondContact SG-SG 2.93Å
612	S	92.9	Very high	85	Confident	22 Å²	22	65 Å²	65	15%	0.154	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-20.3	-178.2	55.4	0	0	0	0	114.9	R604 E608 I609 F614 D615	R604-S612 PolarHBondContact NH1-OG 3.26Å; R604-S612 PolarHBondContact NH2-OG 3.1Å; E608-S612 PolarHBondContact O-N 3.08Å; E608-S612 PolarHBondContact O-OG 3.04Å; I609-S612 WeakPolarHBondContact CA-OG 3.39Å; I609-S612 PolarHBondContact O-N 3.29Å; I609-S612 PolarHBondContact O-OG 3.1Å; S612-F614 PolarHBondContact O-N 2.86Å; S612-F614 VanDerWaalsContact O-N 3.09Å; S612-D615 WeakPolarHBondContact CB-OD2 3.5Å; S612-D615 WeakPolarHBondContact O-CB 3.21Å; S612-D615 VanDerWaalsContact O-CG 3.32Å; S612-D615 PolarHBondContact O-N 2.96Å
613	D	90.5	Very high	85.7	Confident	102 Å²	102	67.5 Å²	67.5	55%	0.545	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.5	168.4	-66.2	-31	0	0	0	112.2	I609 C611 S616	I609-D613 PolarHBondContact O-N 3.39Å; I609-D613 VanDerWaalsContact O-N 3.09Å; C611-D613 PolarHBondContact O-N 3.17Å; D613-S616 PolarHBondContact O-OG 2.81Å
614	F	88.4	Confident	86.3	Confident	22 Å²	22	65.6 Å²	65.6	10%	0.096	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.5	177.9	-64.3	-79.7	0	0	0	114.8	W210 Q610 C611 S612 S616 T617 W626 L639 R652	W210-F614 AromaticContact NE1-CE1 3.98Å; Q610-F614 WeakPolarHBondContact O-CD2 3.46Å; Q610-F614 WeakPolarHBondContact O-CE2 3.44Å; C611-F614 WeakPolarHBondContact O-CB 3.45Å; C611-F614 PolarHBondContact O-N 2.96Å; S612-F614 PolarHBondContact O-N 2.86Å; S612-F614 VanDerWaalsContact O-N 3.09Å; F614-S616 PolarHBondContact O-N 2.84Å; F614-T617 WeakPolarHBondContact CA-OG1 3.49Å; F614-T617 HydrophobicContact CD1-CG2 4.37Å; F614-T617 PolarHBondContact O-N 3.08Å; F614-T617 PolarHBondContact O-OG1 2.82Å; F614-W626 VanDerWaalsContact C-CD1 3.47Å; F614-W626 HydrophobicContact CB-CG 4.41Å; F614-W626 PolarHBondContact O-NE1 3.44Å; F614-L639 HydrophobicContact CD2-CD2 4.48Å; F614-L639 HydrophobicContact CE2-CD2 3.72Å; F614-R652 VanDerWaalsContact CD1-NH2 3.26Å; F614-R652 HydrophobicContact CD2-CB 3.86Å; F614-R652 HydrophobicContact CD2-CG 4.1Å; F614-R652 HydrophobicContact CE1-CB 4.31Å; F614-R652 HydrophobicContact CE2-CB 3.62Å; F614-R652 HydrophobicContact CE2-CG 4.37Å; F614-R652 HydrophobicContact CG-CB 4.31Å; F614-R652 HydrophobicContact CG-CG 4.34Å; F614-R652 HydrophobicContact CZ-CB 3.85Å
615	D	89.6	Confident	86.9	Confident	49 Å²	49	63.3 Å²	63.3	26%	0.262	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-36.1	179.4	-66.7	-10.7	0	0	0	111	S612 T617 Y624 T625 W626	S612-D615 WeakPolarHBondContact CB-OD2 3.5Å; S612-D615 WeakPolarHBondContact O-CB 3.21Å; S612-D615 VanDerWaalsContact O-CG 3.32Å; S612-D615 PolarHBondContact O-N 2.96Å; D615-T617 PolarHBondContact O-N 2.96Å; D615-Y624 WeakPolarHBondContact CA-O 3.31Å; D615-T625 WeakPolarHBondContact OD1-CA 3.26Å; D615-W626 VanDerWaalsContact OD1-CD1 3.27Å; D615-W626 PolarHBondContact OD1-N 2.96Å
616	S	85.7	Confident	87.3	Confident	93 Å²	93	61.2 Å²	61.2	65%	0.65	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-3.6	174.7	69.5	0	0	0	0	114.6	D613 F614 F623	D613-S616 PolarHBondContact O-OG 2.81Å; F614-S616 PolarHBondContact O-N 2.84Å; S616-F623 WeakPolarHBondContact O-CE1 3.23Å
617	T	77.4	Confident	87.4	Confident	36 Å²	36	63.1 Å²	63.1	22%	0.221	33%	0.33	C	S	.	.	S	Bend	trans	-108.7	123	-174.4	69.9	0	0	0	0	111.6	F614 D615 F619 R652	F614-T617 WeakPolarHBondContact CA-OG1 3.49Å; F614-T617 HydrophobicContact CD1-CG2 4.37Å; F614-T617 PolarHBondContact O-N 3.08Å; F614-T617 PolarHBondContact O-OG1 2.82Å; D615-T617 PolarHBondContact O-N 2.96Å; T617-F619 PolarHBondContact O-N 3.2Å; T617-R652 PolarHBondContact OG1-NH2 2.79Å
618	P	78.7	Confident	87.4	Confident	78 Å²	78	64.3 Å²	64.3	51%	0.506	34%	0.338	S	S	.	.			trans	-74.6	118.3	-176.2	28.8	-33.2	0	0	0	111.4	K622 F623	P618-K622 CarbonylContact C-O 3.18Å; P618-K622 WeakPolarHBondContact CA-O 3.21Å; P618-F623 HydrophobicContact CB-CD1 4.34Å; P618-F623 HydrophobicContact CB-CE1 3.95Å; P618-F623 HydrophobicContact CB-CZ 4.05Å; P618-F623 HydrophobicContact CG-CE1 4.23Å; P618-F623 HydrophobicContact CG-CZ 4.37Å
619	F	76.8	Confident	87.4	Confident	38 Å²	38	64.5 Å²	64.5	17%	0.167	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-94.8	122.2	171.5	-177.6	-110.8	0	0	0	109.5	T617 G621 K622 Y624 W626 F648 T650	T617-F619 PolarHBondContact O-N 3.2Å; F619-G621 PolarHBondContact O-N 3.44Å; F619-G621 VanDerWaalsContact O-N 3.09Å; F619-K622 PolarHBondContact N-O 3.36Å; F619-K622 PolarHBondContact O-N 3.16Å; F619-K622 VanDerWaalsContact O-O 3.09Å; F619-Y624 HydrophobicContact CB-CD2 4.13Å; F619-Y624 HydrophobicContact CB-CE2 4.22Å; F619-Y624 HydrophobicContact CD1-CE2 4.19Å; F619-W626 HydrophobicContact CB-CH2 4.32Å; F619-W626 HydrophobicContact CB-CZ2 3.81Å; F619-W626 HydrophobicContact CD1-CH2 4.03Å; F619-W626 HydrophobicContact CD1-CZ2 4.37Å; F619-W626 HydrophobicContact CG-CH2 4.16Å; F619-W626 HydrophobicContact CG-CZ2 4.14Å; F619-F648 HydrophobicContact CD1-CE2 4.06Å; F619-F648 HydrophobicContact CD1-CZ 4.38Å; F619-F648 AromaticContact CE1-CE2 3.72Å; F619-F648 HydrophobicContact CE1-CE2 3.72Å; F619-F648 HydrophobicContact CE1-CZ 4.36Å; F619-T650 HydrophobicContact CE2-CG2 4.38Å; F619-T650 HydrophobicContact CZ-CG2 4.32Å
620	R	79.6	Confident	87.1	Confident	222 Å²	222	65 Å²	65	84%	0.838	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	33.8	-176.2	-60.2	-179.3	173.1	-178.6	-2.1	113.6
621	G	78.6	Confident	86.4	Confident	69 Å²	69	66 Å²	66	71%	0.711	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	9.1	179.7	0	0	0	0	0	115.8	F619	F619-G621 PolarHBondContact O-N 3.44Å; F619-G621 VanDerWaalsContact O-N 3.09Å
622	K	82.9	Confident	85.6	Confident	126 Å²	126	69.3 Å²	69.3	55%	0.548	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-128.1	150.1	174.6	-67.3	-173	178.3	-173	0	111.7	P618 F619 Y624	P618-K622 CarbonylContact C-O 3.18Å; P618-K622 WeakPolarHBondContact CA-O 3.21Å; F619-K622 PolarHBondContact N-O 3.36Å; F619-K622 PolarHBondContact O-N 3.16Å; F619-K622 VanDerWaalsContact O-O 3.09Å; K622-Y624 HydrophobicContact CB-CD2 4.43Å; K622-Y624 HydrophobicContact CB-CE2 3.66Å; K622-Y624 WeakPolarHBondContact O-CD2 3.45Å
623	F	88.7	Confident	84.6	Confident	135 Å²	135	72 Å²	72	59%	0.592	41%	0.414	S	S	*	.			trans	-88.4	150.4	170.2	-57.4	-84.8	0	0	0	109.6	S616 P618	S616-F623 WeakPolarHBondContact O-CE1 3.23Å; P618-F623 HydrophobicContact CB-CD1 4.34Å; P618-F623 HydrophobicContact CB-CE1 3.95Å; P618-F623 HydrophobicContact CB-CZ 4.05Å; P618-F623 HydrophobicContact CG-CE1 4.23Å; P618-F623 HydrophobicContact CG-CZ 4.37Å
624	Y	89.8	Confident	84.3	Confident	35 Å²	35	68.5 Å²	68.5	14%	0.137	40%	0.396	C	S	.	.			trans	-146.5	144.3	-177.5	-65.4	-86.4	0	0	0	108.4	D615 F619 K622 W626 A643 Y646 F648	D615-Y624 WeakPolarHBondContact CA-O 3.31Å; F619-Y624 HydrophobicContact CB-CD2 4.13Å; F619-Y624 HydrophobicContact CB-CE2 4.22Å; F619-Y624 HydrophobicContact CD1-CE2 4.19Å; K622-Y624 HydrophobicContact CB-CD2 4.43Å; K622-Y624 HydrophobicContact CB-CE2 3.66Å; K622-Y624 WeakPolarHBondContact O-CD2 3.45Å; Y624-W626 HydrophobicContact CD2-CZ2 4.09Å; Y624-W626 HydrophobicContact CG-CZ2 4.33Å; Y624-W626 VanDerWaalsContact O-CD1 3.25Å; Y624-W626 PolarHBondContact O-NE1 2.96Å; Y624-A643 HydrophobicContact CD1-CB 3.78Å; Y624-A643 HydrophobicContact CE1-CB 4.46Å; Y624-A643 HydrophobicContact CG-CB 4.14Å; Y624-Y646 AromaticContact CD1-CD2 3.62Å; Y624-Y646 HydrophobicContact CD1-CD2 3.62Å; Y624-Y646 AromaticContact CD1-CE2 3.57Å; Y624-Y646 HydrophobicContact CD1-CE2 3.57Å; Y624-Y646 AromaticContact CE1-CD2 3.64Å; Y624-Y646 HydrophobicContact CE1-CD2 3.64Å; Y624-Y646 HydrophobicContact CE1-CE1 4.5Å; Y624-Y646 AromaticContact CE1-CE2 3.5Å; Y624-Y646 HydrophobicContact CE1-CE2 3.5Å; Y624-Y646 HydrophobicContact CE1-CG 4.2Å; Y624-Y646 AromaticContact CE1-CZ 3.97Å; Y624-F648 HydrophobicContact CD1-CZ 4.22Å; Y624-F648 HydrophobicContact CE1-CE1 4.01Å; Y624-F648 AromaticContact CE1-CZ 3.79Å; Y624-F648 HydrophobicContact CE1-CZ 3.79Å; Y624-F648 HydrophobicContact CE2-CZ 4.3Å; Y624-F648 AromaticContact CZ-CZ 3.84Å
625	T	93.6	Very high	84	Confident	75 Å²	75	74.3 Å²	74.3	46%	0.46	42%	0.421	S	S	.	.			trans	-80.9	125.2	166.1	-50.7	0	0	0	0	108.6	D615 E644	D615-T625 WeakPolarHBondContact OD1-CA 3.26Å; T625-E644 WeakPolarHBondContact O-CB 3.44Å; T625-E644 PolarHBondContact O-N 3.47Å
626	W	92.8	Very high	83.9	Confident	3 Å²	3	74.6 Å²	74.6	1%	0.011	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.8	-172.5	-65.2	102.4	0	0	0	112.3	C611 F614 D615 F619 Y624 C641 L642 A643 F648 T650	C611-W626 HydrophobicContact CB-CB 3.9Å; C611-W626 WeakPolarHBondContact CB-O 3.35Å; C611-W626 WeakPolarHBondContact O-CB 3.24Å; F614-W626 VanDerWaalsContact C-CD1 3.47Å; F614-W626 HydrophobicContact CB-CG 4.41Å; F614-W626 PolarHBondContact O-NE1 3.44Å; D615-W626 VanDerWaalsContact OD1-CD1 3.27Å; D615-W626 PolarHBondContact OD1-N 2.96Å; F619-W626 HydrophobicContact CB-CH2 4.32Å; F619-W626 HydrophobicContact CB-CZ2 3.81Å; F619-W626 HydrophobicContact CD1-CH2 4.03Å; F619-W626 HydrophobicContact CD1-CZ2 4.37Å; F619-W626 HydrophobicContact CG-CH2 4.16Å; F619-W626 HydrophobicContact CG-CZ2 4.14Å; Y624-W626 HydrophobicContact CD2-CZ2 4.09Å; Y624-W626 HydrophobicContact CG-CZ2 4.33Å; Y624-W626 VanDerWaalsContact O-CD1 3.25Å; Y624-W626 PolarHBondContact O-NE1 2.96Å; W626-C641 HydrophobicContact CB-CB 4.01Å; W626-C641 HydrophobicContact CD2-CB 4.28Å; W626-C641 HydrophobicContact CE3-CB 3.75Å; W626-C641 HydrophobicContact CG-CB 4.42Å; W626-L642 WeakPolarHBondContact CA-O 3.45Å; W626-A643 HydrophobicContact CE3-CB 4.27Å; W626-A643 HydrophobicContact CH2-CB 4.38Å; W626-A643 HydrophobicContact CZ3-CB 3.92Å; W626-F648 HydrophobicContact CH2-CE2 4.1Å; W626-F648 HydrophobicContact CZ3-CE2 4.32Å; W626-T650 HydrophobicContact CH2-CG2 3.79Å; W626-T650 HydrophobicContact CZ3-CG2 3.77Å
627	K	92	Very high	84.2	Confident	86 Å²	86	70.4 Å²	70.4	37%	0.374	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.5	175.2	-74.4	-177.8	168.1	170.2	0	111.6	Y629 C641 L642 E644	K627-Y629 PolarHBondContact O-N 2.91Å; K627-C641 CarbonylContact O-C 3.43Å; K627-C641 VanDerWaalsContact O-CA 3.28Å; K627-C641 WeakPolarHBondContact O-CA 3.44Å; K627-L642 PolarHBondContact N-O 3.3Å; K627-L642 PolarHBondContact O-N 2.83Å; K627-E644 WeakPolarHBondContact CE-OE2 3.46Å; K627-E644 IonicContact NZ-OE1 2.74Å; K627-E644 PolarHBondContact NZ-OE1 2.92Å; K627-E644 IonicContact NZ-OE2 2.74Å; K627-E644 PolarHBondContact NZ-OE2 3.35Å
628	P	91.8	Very high	84.7	Confident	30 Å²	30	68.8 Å²	68.8	20%	0.195	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.5	179.9	-27.5	36.6	0	0	0	113	R607 E608	R607-P628 HydrophobicContact CB-CG 4.31Å; R607-P628 HydrophobicContact CG-CB 4.21Å; R607-P628 HydrophobicContact CG-CG 4.3Å; E608-P628 VanDerWaalsContact CA-CG 3.45Å; E608-P628 HydrophobicContact CB-CG 3.87Å; E608-P628 HydrophobicContact CG-CG 4.42Å
629	Y	90.4	Very high	85.2	Confident	58 Å²	58	65.3 Å²	65.3	23%	0.227	36%	0.363	C	S	.	.			trans	-111	119	171.9	-171.4	-97.6	0	0	0	110.4	K627 G631 V634 N640 L642 Y649	K627-Y629 PolarHBondContact O-N 2.91Å; Y629-G631 VanDerWaalsContact CE1-C 3.44Å; Y629-G631 VanDerWaalsContact CE1-O 3.27Å; Y629-G631 WeakPolarHBondContact CE1-O 3.45Å; Y629-V634 HydrophobicContact CD1-CG1 4.04Å; Y629-V634 HydrophobicContact CD1-CG2 4.43Å; Y629-V634 HydrophobicContact CE1-CG1 4.05Å; Y629-N640 PolarHBondContact N-O 3.09Å; Y629-N640 WeakPolarHBondContact O-CB 3.32Å; Y629-L642 HydrophobicContact CD2-CB 4.25Å; Y629-L642 HydrophobicContact CD2-CD1 4.24Å; Y629-Y649 AromaticContact CD1-CD1 3.79Å; Y629-Y649 HydrophobicContact CD1-CD1 3.79Å; Y629-Y649 AromaticContact CD1-CD2 3.58Å; Y629-Y649 HydrophobicContact CD1-CD2 3.58Å; Y629-Y649 HydrophobicContact CD1-CE1 4.05Å; Y629-Y649 AromaticContact CD1-CE2 3.85Å; Y629-Y649 HydrophobicContact CD1-CE2 3.85Å; Y629-Y649 AromaticContact CD1-CG 3.55Å; Y629-Y649 HydrophobicContact CD1-CG 3.55Å; Y629-Y649 HydrophobicContact CD2-CD1 4.22Å; Y629-Y649 HydrophobicContact CD2-CG 4.24Å; Y629-Y649 AromaticContact CE1-CD1 3.52Å; Y629-Y649 HydrophobicContact CE1-CD1 3.52Å; Y629-Y649 AromaticContact CE1-CD2 3.94Å; Y629-Y649 HydrophobicContact CE1-CD2 3.94Å; Y629-Y649 AromaticContact CE1-CE1 3.4Å; Y629-Y649 HydrophobicContact CE1-CE1 3.4Å; Y629-Y649 VanDerWaalsContact CE1-CE1 3.4Å; Y629-Y649 AromaticContact CE1-CE2 3.84Å; Y629-Y649 HydrophobicContact CE1-CE2 3.84Å; Y629-Y649 AromaticContact CE1-CG 3.79Å; Y629-Y649 HydrophobicContact CE1-CG 3.79Å; Y629-Y649 AromaticContact CE1-CZ 3.57Å; Y629-Y649 AromaticContact CE2-CD1 3.97Å; Y629-Y649 HydrophobicContact CE2-CD1 3.97Å; Y629-Y649 HydrophobicContact CE2-CE1 4.42Å; Y629-Y649 HydrophobicContact CE2-CG 4.45Å; Y629-Y649 HydrophobicContact CG-CD1 4.13Å; Y629-Y649 HydrophobicContact CG-CD2 4.17Å; Y629-Y649 AromaticContact CG-CG 3.79Å; Y629-Y649 HydrophobicContact CG-CG 3.79Å; Y629-Y649 AromaticContact CZ-CD1 3.61Å; Y629-Y649 AromaticContact CZ-CE1 3.62Å
630	R	84.3	Confident	85.9	Confident	76 Å²	76	64 Å²	64	29%	0.287	36%	0.358	S	S	.	.			trans	-118.3	4.7	179.9	-61.9	179.7	178.2	99.9	1.4	113.4	D605 D664	D605-R630 IonicContact OD1-NH2 3.31Å; D605-R630 IonicContact OD2-CZ 3.79Å; D605-R630 IonicContact OD2-NH1 2.68Å; D605-R630 IonicContact OD2-NH2 3.78Å; D605-R630 PolarHBondContact OD2-NH2 3.07Å; R630-D664 WeakPolarHBondContact CD-OD2 3.2Å; R630-D664 IonicContact CZ-OD1 3.35Å; R630-D664 IonicContact CZ-OD2 3.73Å; R630-D664 IonicContact NE-OD1 3.66Å; R630-D664 PolarHBondContact NE-OD1 3.49Å; R630-D664 VanDerWaalsContact NE-OD1 3.1Å; R630-D664 IonicContact NE-OD2 2.77Å; R630-D664 IonicContact NH1-OD1 2.79Å; R630-D664 PolarHBondContact NH1-OD1 2.97Å; R630-D664 IonicContact NH1-OD2 3.68Å; R630-D664 PolarHBondContact NH1-OD2 3.11Å; R630-D664 VanDerWaalsContact NH1-OD2 3.09Å; R630-D664 IonicContact NH2-OD1 3.6Å; R630-D664 PolarHBondContact NH2-OD1 3.22Å
631	G	78.9	Confident	86.6	Confident	32 Å²	32	53.4 Å²	53.4	33%	0.33	32%	0.318	S	S	.	.			trans	-86.1	-171.7	-177.2	0	0	0	0	0	114	Y629 G633 V634	Y629-G631 VanDerWaalsContact CE1-C 3.44Å; Y629-G631 VanDerWaalsContact CE1-O 3.27Å; Y629-G631 WeakPolarHBondContact CE1-O 3.45Å; G631-G633 PolarHBondContact O-N 3.27Å; G631-V634 WeakPolarHBondContact O-CG2 3.41Å; G631-V634 PolarHBondContact O-N 2.97Å
632	G	73.6	Confident	87.3	Confident	68 Å²	68	52.9 Å²	52.9	70%	0.701	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	10.5	164.2	0	0	0	0	0	117.3
633	G	73.4	Confident	87.7	Confident	80 Å²	80	46.9 Å²	46.9	83%	0.825	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	16.8	-177.9	0	0	0	0	0	115.1	G631	G631-G633 PolarHBondContact O-N 3.27Å
634	V	83.6	Confident	87.8	Confident	28 Å²	28	44.7 Å²	44.7	17%	0.17	26%	0.264	C	S	.	.			trans	-60.4	154.3	175.6	-58.9	0	0	0	0	112.2	Y629 G631 P636 N640 Y649	Y629-V634 HydrophobicContact CD1-CG1 4.04Å; Y629-V634 HydrophobicContact CD1-CG2 4.43Å; Y629-V634 HydrophobicContact CE1-CG1 4.05Å; G631-V634 WeakPolarHBondContact O-CG2 3.41Å; G631-V634 PolarHBondContact O-N 2.97Å; V634-P636 WeakPolarHBondContact O-CD 3.29Å; V634-N640 HydrophobicContact CB-CB 4.49Å; V634-N640 HydrophobicContact CG1-CB 4.42Å; V634-N640 HydrophobicContact CG2-CB 4.35Å; V634-Y649 HydrophobicContact CG1-CD2 4.49Å; V634-Y649 HydrophobicContact CG1-CE2 3.64Å
635	K	82.3	Confident	87.7	Confident	143 Å²	143	46.7 Å²	46.7	62%	0.622	30%	0.296	S	S	*	.			trans	-62.8	123.9	178.7	-65	174.5	-178.3	171.6	0	109.4	C637 S638	K635-C637 PolarHBondContact O-N 3.47Å; K635-S638 PolarHBondContact O-N 3.2Å; K635-S638 VanDerWaalsContact O-N 3.13Å
636	P	87.9	Confident	87.4	Confident	55 Å²	55	48.9 Å²	48.9	36%	0.357	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.6	-174.2	-28.7	36.1	0	0	0	116	R607 V634 C662	R607-P636 VanDerWaalsContact CZ-O 3.3Å; R607-P636 PolarHBondContact NH1-O 2.95Å; R607-P636 PolarHBondContact NH2-O 3Å; V634-P636 WeakPolarHBondContact O-CD 3.29Å; P636-C662 HydrophobicContact CB-CB 4.37Å
637	C	90.8	Very high	87	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.041	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	15.4	-178.4	-68.1	0	0	0	0	114.9	K635 A655 V656 C670 E674 C675	K635-C637 PolarHBondContact O-N 3.47Å; C637-A655 CarbonylContact O-C 3.48Å; C637-A655 VanDerWaalsContact O-CA 3.28Å; C637-A655 WeakPolarHBondContact O-CA 3.48Å; C637-V656 HydrophobicContact CB-CG2 4.42Å; C637-V656 PolarHBondContact O-N 3Å; C637-C670 WeakPolarHBondContact CA-SG 3.24Å; C637-C670 HydrophobicContact CB-CB 3.67Å; C637-C670 WeakPolarHBondContact CB-SG 3.35Å; C637-C670 WeakPolarHBondContact SG-CA 3.41Å; C637-C670 WeakPolarHBondContact SG-CB 3.34Å; C637-C670 CovalentContact SG-SG 2.04Å; C637-C670 PolarHBondContact SG-SG 3.43Å; C637-E674 VanDerWaalsContact SG-C 3.6Å; C637-C675 PolarHBondContact SG-N 3.1Å; C637-C675 VanDerWaalsContact SG-N 3.39Å
638	S	88.4	Confident	86.8	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.014	34%	0.337	C	S	.	.	S	Bend	trans	-103.4	150.9	162	68.9	0	0	0	0	110.7	K635 N640 E651 P654	K635-S638 PolarHBondContact O-N 3.2Å; K635-S638 VanDerWaalsContact O-N 3.13Å; S638-N640 PolarHBondContact O-N 2.98Å; S638-N640 VanDerWaalsContact O-N 3.12Å; S638-N640 PolarHBondContact OG-ND2 3.03Å; S638-E651 WeakPolarHBondContact CB-OE2 3.07Å; S638-E651 PolarHBondContact OG-OE2 3.09Å; S638-P654 WeakPolarHBondContact CB-O 3.45Å
639	L	89.9	Confident	86.7	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	90.1	-172.2	-175.1	65.7	0	0	0	109.9	R607 Q610 F614 E651 R652 A653 V656	R607-L639 HydrophobicContact CG-CD1 3.97Å; Q610-L639 HydrophobicContact CB-CD1 3.78Å; Q610-L639 HydrophobicContact CB-CD2 4.01Å; F614-L639 HydrophobicContact CD2-CD2 4.48Å; F614-L639 HydrophobicContact CE2-CD2 3.72Å; L639-E651 CarbonylContact O-C 3.59Å; L639-E651 WeakPolarHBondContact O-CA 3.41Å; L639-R652 HydrophobicContact CD2-CB 4.23Å; L639-R652 HydrophobicContact CG-CB 4.42Å; L639-R652 PolarHBondContact O-N 3.24Å; L639-A653 HydrophobicContact CB-CB 4.02Å; L639-A653 HydrophobicContact CD2-CB 4.26Å; L639-A653 PolarHBondContact N-O 2.97Å; L639-V656 HydrophobicContact CB-CG1 3.94Å; L639-V656 HydrophobicContact CD1-CG1 4.1Å
640	N	90.9	Very high	86.4	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.1	173	-76.1	-93.6	0	0	0	109.8	Y629 V634 S638 E651	Y629-N640 PolarHBondContact N-O 3.09Å; Y629-N640 WeakPolarHBondContact O-CB 3.32Å; V634-N640 HydrophobicContact CB-CB 4.49Å; V634-N640 HydrophobicContact CG1-CB 4.42Å; V634-N640 HydrophobicContact CG2-CB 4.35Å; S638-N640 PolarHBondContact O-N 2.98Å; S638-N640 VanDerWaalsContact O-N 3.12Å; S638-N640 PolarHBondContact OG-ND2 3.03Å; N640-E651 PolarHBondContact ND2-OE2 3.44Å; N640-E651 PolarHBondContact OD1-N 3.04Å
641	C	92.9	Very high	86.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.2	-179.2	-53.2	0	0	0	0	111	C611 W626 K627 Y649 T650 R652	C611-C641 VanDerWaalsContact CA-SG 3.52Å; C611-C641 HydrophobicContact CB-CB 3.98Å; C611-C641 WeakPolarHBondContact CB-SG 3.16Å; C611-C641 WeakPolarHBondContact SG-CB 3.28Å; C611-C641 CovalentContact SG-SG 2.05Å; C611-C641 PolarHBondContact SG-SG 2.93Å; W626-C641 HydrophobicContact CB-CB 4.01Å; W626-C641 HydrophobicContact CD2-CB 4.28Å; W626-C641 HydrophobicContact CE3-CB 3.75Å; W626-C641 HydrophobicContact CG-CB 4.42Å; K627-C641 CarbonylContact O-C 3.43Å; K627-C641 VanDerWaalsContact O-CA 3.28Å; K627-C641 WeakPolarHBondContact O-CA 3.44Å; C641-Y649 CarbonylContact O-C 3.47Å; C641-Y649 VanDerWaalsContact O-CA 3.22Å; C641-Y649 WeakPolarHBondContact O-CA 3.42Å; C641-Y649 WeakPolarHBondContact O-CB 3.31Å; C641-T650 PolarHBondContact N-O 3.46Å; C641-T650 PolarHBondContact O-N 3.3Å; C641-R652 HydrophobicContact CB-CG 3.94Å
642	L	93.3	Very high	86.6	Confident	58 Å²	58	57.3 Å²	57.3	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.5	170.7	-176.2	74.5	0	0	0	109.2	W626 K627 Y629 F648	W626-L642 WeakPolarHBondContact CA-O 3.45Å; K627-L642 PolarHBondContact N-O 3.3Å; K627-L642 PolarHBondContact O-N 2.83Å; Y629-L642 HydrophobicContact CD2-CB 4.25Å; Y629-L642 HydrophobicContact CD2-CD1 4.24Å; L642-F648 WeakPolarHBondContact CD1-O 3.28Å
643	A	92.3	Very high	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.3	170	0	0	0	0	0	109.7	Y624 W626 G645 Y646 F648	Y624-A643 HydrophobicContact CD1-CB 3.78Å; Y624-A643 HydrophobicContact CE1-CB 4.46Å; Y624-A643 HydrophobicContact CG-CB 4.14Å; W626-A643 HydrophobicContact CE3-CB 4.27Å; W626-A643 HydrophobicContact CH2-CB 4.38Å; W626-A643 HydrophobicContact CZ3-CB 3.92Å; A643-G645 PolarHBondContact O-N 3.26Å; A643-Y646 HydrophobicContact CB-CD2 4.17Å; A643-Y646 PolarHBondContact O-N 3.13Å; A643-Y646 VanDerWaalsContact O-O 3.08Å; A643-F648 HydrophobicContact CB-CE1 3.92Å; A643-F648 HydrophobicContact CB-CE2 3.91Å; A643-F648 HydrophobicContact CB-CZ 3.56Å; A643-F648 PolarHBondContact N-O 2.71Å; A643-F648 VanDerWaalsContact N-O 3.12Å
644	E	91.2	Very high	86.5	Confident	90 Å²	90	55 Å²	55	42%	0.421	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	134.7	-178.4	178.8	153.3	-141.3	0	0	111.7	T625 K627 Y646	T625-E644 WeakPolarHBondContact O-CB 3.44Å; T625-E644 PolarHBondContact O-N 3.47Å; K627-E644 WeakPolarHBondContact CE-OE2 3.46Å; K627-E644 IonicContact NZ-OE1 2.74Å; K627-E644 PolarHBondContact NZ-OE1 2.92Å; K627-E644 IonicContact NZ-OE2 2.74Å; K627-E644 PolarHBondContact NZ-OE2 3.35Å; E644-Y646 VanDerWaalsContact C-N 3.28Å; E644-Y646 VanDerWaalsContact O-CD2 3.27Å; E644-Y646 WeakPolarHBondContact O-CD2 3.41Å; E644-Y646 PolarHBondContact O-N 3.13Å
645	G	88	Confident	86.4	Confident	77 Å²	77	55.7 Å²	55.7	79%	0.794	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	1	-172.6	0	0	0	0	0	114.9	A643	A643-G645 PolarHBondContact O-N 3.26Å
646	Y	87.4	Confident	86.8	Confident	121 Å²	121	49 Å²	49	48%	0.475	27%	0.273	S	S	.	.	S	Bend	trans	-130.9	143.9	-177.7	-61.1	-81.6	0	0	0	113.4	Y624 A643 E644 F648	Y624-Y646 AromaticContact CD1-CD2 3.62Å; Y624-Y646 HydrophobicContact CD1-CD2 3.62Å; Y624-Y646 AromaticContact CD1-CE2 3.57Å; Y624-Y646 HydrophobicContact CD1-CE2 3.57Å; Y624-Y646 AromaticContact CE1-CD2 3.64Å; Y624-Y646 HydrophobicContact CE1-CD2 3.64Å; Y624-Y646 HydrophobicContact CE1-CE1 4.5Å; Y624-Y646 AromaticContact CE1-CE2 3.5Å; Y624-Y646 HydrophobicContact CE1-CE2 3.5Å; Y624-Y646 HydrophobicContact CE1-CG 4.2Å; Y624-Y646 AromaticContact CE1-CZ 3.97Å; A643-Y646 HydrophobicContact CB-CD2 4.17Å; A643-Y646 PolarHBondContact O-N 3.13Å; A643-Y646 VanDerWaalsContact O-O 3.08Å; E644-Y646 VanDerWaalsContact C-N 3.28Å; E644-Y646 VanDerWaalsContact O-CD2 3.27Å; E644-Y646 WeakPolarHBondContact O-CD2 3.41Å; E644-Y646 PolarHBondContact O-N 3.13Å; Y646-F648 HydrophobicContact CD1-CE1 4.46Å; Y646-F648 AromaticContact CG-CE1 3.99Å; Y646-F648 HydrophobicContact CG-CE1 3.99Å; Y646-F648 PolarHBondContact O-N 3.29Å
647	N	84.6	Confident	86.9	Confident	178 Å²	178	49.6 Å²	49.6	95%	0.952	28%	0.276	S	S	*	.	S	Bend	trans	-83.1	44.3	-179.5	-65.7	-11.2	0	0	0	112.9
648	F	87.8	Confident	87	Confident	64 Å²	64	50.8 Å²	50.8	28%	0.281	28%	0.282	S	S	.	.			trans	-145.8	146	173	76.8	-89.9	0	0	0	112.8	F619 Y624 W626 L642 A643 Y646	F619-F648 HydrophobicContact CD1-CE2 4.06Å; F619-F648 HydrophobicContact CD1-CZ 4.38Å; F619-F648 AromaticContact CE1-CE2 3.72Å; F619-F648 HydrophobicContact CE1-CE2 3.72Å; F619-F648 HydrophobicContact CE1-CZ 4.36Å; Y624-F648 HydrophobicContact CD1-CZ 4.22Å; Y624-F648 HydrophobicContact CE1-CE1 4.01Å; Y624-F648 AromaticContact CE1-CZ 3.79Å; Y624-F648 HydrophobicContact CE1-CZ 3.79Å; Y624-F648 HydrophobicContact CE2-CZ 4.3Å; Y624-F648 AromaticContact CZ-CZ 3.84Å; W626-F648 HydrophobicContact CH2-CE2 4.1Å; W626-F648 HydrophobicContact CZ3-CE2 4.32Å; L642-F648 WeakPolarHBondContact CD1-O 3.28Å; A643-F648 HydrophobicContact CB-CE1 3.92Å; A643-F648 HydrophobicContact CB-CE2 3.91Å; A643-F648 HydrophobicContact CB-CZ 3.56Å; A643-F648 PolarHBondContact N-O 2.71Å; A643-F648 VanDerWaalsContact N-O 3.12Å; Y646-F648 HydrophobicContact CD1-CE1 4.46Å; Y646-F648 AromaticContact CG-CE1 3.99Å; Y646-F648 HydrophobicContact CG-CE1 3.99Å; Y646-F648 PolarHBondContact O-N 3.29Å
649	Y	89.6	Confident	87	Confident	97 Å²	97	50.7 Å²	50.7	38%	0.38	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	165.1	169.9	70.4	-88	0	0	0	110.3	Y629 V634 C641	Y629-Y649 AromaticContact CD1-CD1 3.79Å; Y629-Y649 HydrophobicContact CD1-CD1 3.79Å; Y629-Y649 AromaticContact CD1-CD2 3.58Å; Y629-Y649 HydrophobicContact CD1-CD2 3.58Å; Y629-Y649 HydrophobicContact CD1-CE1 4.05Å; Y629-Y649 AromaticContact CD1-CE2 3.85Å; Y629-Y649 HydrophobicContact CD1-CE2 3.85Å; Y629-Y649 AromaticContact CD1-CG 3.55Å; Y629-Y649 HydrophobicContact CD1-CG 3.55Å; Y629-Y649 HydrophobicContact CD2-CD1 4.22Å; Y629-Y649 HydrophobicContact CD2-CG 4.24Å; Y629-Y649 AromaticContact CE1-CD1 3.52Å; Y629-Y649 HydrophobicContact CE1-CD1 3.52Å; Y629-Y649 AromaticContact CE1-CD2 3.94Å; Y629-Y649 HydrophobicContact CE1-CD2 3.94Å; Y629-Y649 AromaticContact CE1-CE1 3.4Å; Y629-Y649 HydrophobicContact CE1-CE1 3.4Å; Y629-Y649 VanDerWaalsContact CE1-CE1 3.4Å; Y629-Y649 AromaticContact CE1-CE2 3.84Å; Y629-Y649 HydrophobicContact CE1-CE2 3.84Å; Y629-Y649 AromaticContact CE1-CG 3.79Å; Y629-Y649 HydrophobicContact CE1-CG 3.79Å; Y629-Y649 AromaticContact CE1-CZ 3.57Å; Y629-Y649 AromaticContact CE2-CD1 3.97Å; Y629-Y649 HydrophobicContact CE2-CD1 3.97Å; Y629-Y649 HydrophobicContact CE2-CE1 4.42Å; Y629-Y649 HydrophobicContact CE2-CG 4.45Å; Y629-Y649 HydrophobicContact CG-CD1 4.13Å; Y629-Y649 HydrophobicContact CG-CD2 4.17Å; Y629-Y649 AromaticContact CG-CG 3.79Å; Y629-Y649 HydrophobicContact CG-CG 3.79Å; Y629-Y649 AromaticContact CZ-CD1 3.61Å; Y629-Y649 AromaticContact CZ-CE1 3.62Å; V634-Y649 HydrophobicContact CG1-CD2 4.49Å; V634-Y649 HydrophobicContact CG1-CE2 3.64Å; C641-Y649 CarbonylContact O-C 3.47Å; C641-Y649 VanDerWaalsContact O-CA 3.22Å; C641-Y649 WeakPolarHBondContact O-CA 3.42Å; C641-Y649 WeakPolarHBondContact O-CB 3.31Å
650	T	83.6	Confident	87.1	Confident	27 Å²	27	50.5 Å²	50.5	17%	0.166	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.5	171.5	-175.7	0	0	0	0	109.9	F619 W626 C641 R652	F619-T650 HydrophobicContact CE2-CG2 4.38Å; F619-T650 HydrophobicContact CZ-CG2 4.32Å; W626-T650 HydrophobicContact CH2-CG2 3.79Å; W626-T650 HydrophobicContact CZ3-CG2 3.77Å; C641-T650 PolarHBondContact N-O 3.46Å; C641-T650 PolarHBondContact O-N 3.3Å; T650-R652 HydrophobicContact CG2-CG 4.44Å
651	E	83.1	Confident	87.1	Confident	80 Å²	80	51.8 Å²	51.8	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135.6	161.6	-163.2	161.4	98	0	0	108.6	S638 L639 N640 A653	S638-E651 WeakPolarHBondContact CB-OE2 3.07Å; S638-E651 PolarHBondContact OG-OE2 3.09Å; L639-E651 CarbonylContact O-C 3.59Å; L639-E651 WeakPolarHBondContact O-CA 3.41Å; N640-E651 PolarHBondContact ND2-OE2 3.44Å; N640-E651 PolarHBondContact OD1-N 3.04Å; E651-A653 WeakPolarHBondContact CG-O 3.08Å
652	R	84.1	Confident	87	Confident	16 Å²	16	52 Å²	52	6%	0.06	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-26.5	176	-57.6	-59.9	-69.9	154.3	-10.7	111.9	F614 T617 L639 C641 T650	F614-R652 VanDerWaalsContact CD1-NH2 3.26Å; F614-R652 HydrophobicContact CD2-CB 3.86Å; F614-R652 HydrophobicContact CD2-CG 4.1Å; F614-R652 HydrophobicContact CE1-CB 4.31Å; F614-R652 HydrophobicContact CE2-CB 3.62Å; F614-R652 HydrophobicContact CE2-CG 4.37Å; F614-R652 HydrophobicContact CG-CB 4.31Å; F614-R652 HydrophobicContact CG-CG 4.34Å; F614-R652 HydrophobicContact CZ-CB 3.85Å; T617-R652 PolarHBondContact OG1-NH2 2.79Å; L639-R652 HydrophobicContact CD2-CB 4.23Å; L639-R652 HydrophobicContact CG-CB 4.42Å; L639-R652 PolarHBondContact O-N 3.24Å; C641-R652 HydrophobicContact CB-CG 3.94Å; T650-R652 HydrophobicContact CG2-CG 4.44Å
653	A	74.8	Confident	86.6	Confident	19 Å²	19	56.7 Å²	56.7	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	143.9	170.5	0	0	0	0	0	111.2	L639 E651 A655	L639-A653 HydrophobicContact CB-CB 4.02Å; L639-A653 HydrophobicContact CD2-CB 4.26Å; L639-A653 PolarHBondContact N-O 2.97Å; E651-A653 WeakPolarHBondContact CG-O 3.08Å; A653-A655 PolarHBondContact O-N 2.91Å
654	P	69.9	Low	85.8	Confident	81 Å²	81	61.6 Å²	61.6	53%	0.526	33%	0.33	S	S	.	.	S	Bend	trans	-71.2	-12.7	-178	30.1	-36.8	0	0	0	113.8	S638	S638-P654 WeakPolarHBondContact CB-O 3.45Å
655	A	82.4	Confident	84.9	Confident	41 Å²	41	62.8 Å²	62.8	34%	0.339	34%	0.339	S	S	.	.	S	Bend	trans	-137.7	143.1	171	0	0	0	0	0	110	C637 A653	C637-A655 CarbonylContact O-C 3.48Å; C637-A655 VanDerWaalsContact O-CA 3.28Å; C637-A655 WeakPolarHBondContact O-CA 3.48Å; A653-A655 PolarHBondContact O-N 2.91Å
656	V	89.9	Confident	84.7	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.024	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-77.8	161.5	162.1	-59.8	0	0	0	0	110.2	C637 L639 T660 C670	C637-V656 HydrophobicContact CB-CG2 4.42Å; C637-V656 PolarHBondContact O-N 3Å; L639-V656 HydrophobicContact CB-CG1 3.94Å; L639-V656 HydrophobicContact CD1-CG1 4.1Å; V656-T660 HydrophobicContact CB-CG2 4.29Å; V656-T660 HydrophobicContact CG2-CG2 4.12Å; V656-C670 HydrophobicContact CG2-CB 3.41Å; V656-C670 VanDerWaalsContact CG2-CB 3.41Å; V656-C670 VanDerWaalsContact CG2-SG 3.51Å
657	V	90.8	Very high	84.5	Confident	67 Å²	67	58.2 Å²	58.2	41%	0.406	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-59.7	137.4	174.7	177.7	0	0	0	0	110.6	F606 Q610 T660	F606-V657 HydrophobicContact CE1-CB 3.96Å; F606-V657 HydrophobicContact CE1-CG1 3.94Å; F606-V657 HydrophobicContact CZ-CB 4.18Å; F606-V657 HydrophobicContact CZ-CG1 3.89Å; Q610-V657 HydrophobicContact CG-CG2 4.2Å; V657-T660 VanDerWaalsContact O-CB 3.29Å; V657-T660 WeakPolarHBondContact O-CB 3.47Å; V657-T660 PolarHBondContact O-N 3.45Å; V657-T660 VanDerWaalsContact O-N 3.13Å; V657-T660 PolarHBondContact O-OG1 2.98Å
658	D	91.1	Very high	84.9	Confident	31 Å²	31	51.5 Å²	51.5	17%	0.166	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	140.5	179.5	-72.1	-13.4	0	0	0	111.2	S558 V565 F591 T660 C670 V671 N672	S558-D658 WeakPolarHBondContact CB-O 3.35Å; S558-D658 PolarHBondContact OG-O 3.35Å; V565-D658 HydrophobicContact CB-CB 4.02Å; V565-D658 HydrophobicContact CG1-CB 4.13Å; F591-D658 WeakPolarHBondContact CE1-OD2 3.42Å; D658-T660 VanDerWaalsContact C-N 3.33Å; D658-C670 CarbonylContact C-O 3.53Å; D658-C670 VanDerWaalsContact CA-O 3.3Å; D658-C670 WeakPolarHBondContact CA-O 3.14Å; D658-V671 WeakPolarHBondContact OD1-CA 3.42Å; D658-N672 PolarHBondContact OD1-N 3.16Å
659	G	90.3	Very high	85.1	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	1.6	-174.5	0	0	0	0	0	115.2	R559 C670	R559-G659 WeakPolarHBondContact CD-O 3.31Å; R559-G659 PolarHBondContact NH1-O 3Å; G659-C670 PolarHBondContact N-O 3.06Å
660	T	92	Very high	85.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.			trans	-70.8	129.1	165.7	-54.2	0	0	0	0	109.8	F606 R607 Q610 V656 V657 D658 V669 C670	F606-T660 HydrophobicContact CD1-CG2 4.35Å; F606-T660 VanDerWaalsContact CD1-OG1 3.27Å; F606-T660 WeakPolarHBondContact CD1-OG1 3.47Å; F606-T660 WeakPolarHBondContact CE1-OG1 2.98Å; R607-T660 HydrophobicContact CB-CG2 3.88Å; R607-T660 HydrophobicContact CG-CG2 4.3Å; Q610-T660 PolarHBondContact NE2-OG1 3.45Å; V656-T660 HydrophobicContact CB-CG2 4.29Å; V656-T660 HydrophobicContact CG2-CG2 4.12Å; V657-T660 VanDerWaalsContact O-CB 3.29Å; V657-T660 WeakPolarHBondContact O-CB 3.47Å; V657-T660 PolarHBondContact O-N 3.45Å; V657-T660 VanDerWaalsContact O-N 3.13Å; V657-T660 PolarHBondContact O-OG1 2.98Å; D658-T660 VanDerWaalsContact C-N 3.33Å; T660-V669 WeakPolarHBondContact O-CA 3.33Å; T660-C670 PolarHBondContact O-N 2.9Å
661	P	90.9	Very high	85.5	Confident	37 Å²	37	43.2 Å²	43.2	24%	0.24	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-56.5	139.6	173.9	-24.9	34.6	0	0	0	112.1	R607 D668	R607-P661 PolarHBondContact NH2-O 3.49Å; P661-D668 WeakPolarHBondContact CA-O 3.44Å
662	C	89.3	Confident	85.3	Confident	3 Å²	3	41 Å²	41	2%	0.02	23%	0.227	C	C	.	.	S	Bend	trans	-71.7	-37.9	-177.6	-54.5	0	0	0	0	113	P636 D668 C675	P636-C662 HydrophobicContact CB-CB 4.37Å; C662-D668 PolarHBondContact N-O 2.89Å; C662-D668 VanDerWaalsContact SG-C 3.53Å; C662-D668 PolarHBondContact SG-O 2.84Å; C662-C675 HydrophobicContact CB-CB 4.01Å; C662-C675 WeakPolarHBondContact CB-SG 3.46Å; C662-C675 WeakPolarHBondContact SG-CA 3.2Å; C662-C675 WeakPolarHBondContact SG-CB 3.33Å; C662-C675 CovalentContact SG-SG 2.03Å; C662-C675 PolarHBondContact SG-SG 2.82Å
663	R	85.3	Confident	85.1	Confident	157 Å²	157	40.8 Å²	40.8	59%	0.592	23%	0.229	S	C	*	.	S	Bend	trans	-141.8	156.3	-173.6	-60.2	177	-176.2	-105.1	3.5	107.9	D665 S666	R663-D665 VanDerWaalsContact C-N 3.33Å; R663-D665 PolarHBondContact O-N 3.24Å; R663-S666 PolarHBondContact O-N 2.77Å
664	D	76.2	Confident	85.5	Confident	104 Å²	104	41.3 Å²	41.3	56%	0.556	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-29	-175.2	-61.8	-36.4	0	0	0	113.2	R630	R630-D664 WeakPolarHBondContact CD-OD2 3.2Å; R630-D664 IonicContact CZ-OD1 3.35Å; R630-D664 IonicContact CZ-OD2 3.73Å; R630-D664 IonicContact NE-OD1 3.66Å; R630-D664 PolarHBondContact NE-OD1 3.49Å; R630-D664 VanDerWaalsContact NE-OD1 3.1Å; R630-D664 IonicContact NE-OD2 2.77Å; R630-D664 IonicContact NH1-OD1 2.79Å; R630-D664 PolarHBondContact NH1-OD1 2.97Å; R630-D664 IonicContact NH1-OD2 3.68Å; R630-D664 PolarHBondContact NH1-OD2 3.11Å; R630-D664 VanDerWaalsContact NH1-OD2 3.09Å; R630-D664 IonicContact NH2-OD1 3.6Å; R630-D664 PolarHBondContact NH2-OD1 3.22Å
665	D	72.4	Confident	86.5	Confident	114 Å²	114	40 Å²	40	61%	0.61	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	19.4	178.9	-58.5	-67.7	0	0	0	113.4	R663 R767	R663-D665 VanDerWaalsContact C-N 3.33Å; R663-D665 PolarHBondContact O-N 3.24Å; D665-R767 IonicContact OD1-CZ 2.66Å; D665-R767 IonicContact OD1-NH1 3.17Å; D665-R767 PolarHBondContact OD1-NH1 2.84Å; D665-R767 IonicContact OD1-NH2 3.69Å; D665-R767 PolarHBondContact OD1-NH2 2.86Å; D665-R767 IonicContact OD2-CZ 2.78Å; D665-R767 IonicContact OD2-NH1 3.13Å; D665-R767 PolarHBondContact OD2-NH1 3.35Å; D665-R767 IonicContact OD2-NH2 3.89Å
666	S	82.6	Confident	86.9	Confident	35 Å²	35	41.7 Å²	41.7	25%	0.245	22%	0.22	C	C	.	.			trans	-133.9	147.4	175.2	-171.8	0	0	0	0	113.2	R663 D668	R663-S666 PolarHBondContact O-N 2.77Å; S666-D668 VanDerWaalsContact C-N 3.32Å; S666-D668 PolarHBondContact OG-N 3.38Å; S666-D668 VanDerWaalsContact OG-N 3.17Å; S666-D668 PolarHBondContact OG-OD2 2.83Å
667	L	84.7	Confident	86.9	Confident	68 Å²	68	45.6 Å²	45.6	36%	0.356	24%	0.238	S	C	.	.			trans	-78	-16.7	171.9	-61.1	178.8	0	0	0	113.1	V669 V678 C680	L667-V669 WeakPolarHBondContact O-CG1 3.06Å; L667-V669 PolarHBondContact O-N 2.93Å; L667-V678 WeakPolarHBondContact O-CB 3.35Å; L667-C680 HydrophobicContact CD1-CB 4.36Å
668	D	91.5	Very high	87	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.193	22%	0.22	C	C	.	.			trans	-54.2	132.2	178.6	-52.5	-49.4	0	0	0	110.5	P661 C662 S666 C675 K676 H677	P661-D668 WeakPolarHBondContact CA-O 3.44Å; C662-D668 PolarHBondContact N-O 2.89Å; C662-D668 VanDerWaalsContact SG-C 3.53Å; C662-D668 PolarHBondContact SG-O 2.84Å; S666-D668 VanDerWaalsContact C-N 3.32Å; S666-D668 PolarHBondContact OG-N 3.38Å; S666-D668 VanDerWaalsContact OG-N 3.17Å; S666-D668 PolarHBondContact OG-OD2 2.83Å; D668-C675 WeakPolarHBondContact CB-SG 3.43Å; D668-K676 WeakPolarHBondContact CA-O 3.15Å; D668-K676 WeakPolarHBondContact CB-O 3.41Å; D668-H677 WeakPolarHBondContact OD1-CA 3.14Å; D668-H677 IonicContact OD1-CE1 2.77Å; D668-H677 IonicContact OD1-CG 2.71Å; D668-H677 IonicContact OD1-ND1 2.6Å; D668-H677 PolarHBondContact OD1-ND1 3.31Å
669	V	93	Very high	86.8	Confident	11 Å²	11	41.3 Å²	41.3	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.2	-179.6	-58	0	0	0	0	112.3	V565 T660 L667 V671 K676 V678 L684	V565-V669 HydrophobicContact CG2-CG2 4.1Å; T660-V669 WeakPolarHBondContact O-CA 3.33Å; L667-V669 WeakPolarHBondContact O-CG1 3.06Å; L667-V669 PolarHBondContact O-N 2.93Å; V669-V671 HydrophobicContact CG2-CG2 3.94Å; V669-K676 PolarHBondContact N-O 2.85Å; V669-K676 VanDerWaalsContact N-O 3.14Å; V669-K676 PolarHBondContact O-N 2.92Å; V669-V678 HydrophobicContact CB-CG2 4.32Å; V669-V678 HydrophobicContact CG1-CG2 4.2Å; V669-V678 HydrophobicContact CG2-CG2 3.72Å; V669-L684 HydrophobicContact CG2-CD1 4.23Å
670	C	91.7	Very high	86.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.4	171.4	-61.4	0	0	0	0	110.6	C637 V656 D658 G659 T660 E674	C637-C670 WeakPolarHBondContact CA-SG 3.24Å; C637-C670 HydrophobicContact CB-CB 3.67Å; C637-C670 WeakPolarHBondContact CB-SG 3.35Å; C637-C670 WeakPolarHBondContact SG-CA 3.41Å; C637-C670 WeakPolarHBondContact SG-CB 3.34Å; C637-C670 CovalentContact SG-SG 2.04Å; C637-C670 PolarHBondContact SG-SG 3.43Å; V656-C670 HydrophobicContact CG2-CB 3.41Å; V656-C670 VanDerWaalsContact CG2-CB 3.41Å; V656-C670 VanDerWaalsContact CG2-SG 3.51Å; D658-C670 CarbonylContact C-O 3.53Å; D658-C670 VanDerWaalsContact CA-O 3.3Å; D658-C670 WeakPolarHBondContact CA-O 3.14Å; G659-C670 PolarHBondContact N-O 3.06Å; T660-C670 PolarHBondContact O-N 2.9Å; C670-E674 CarbonylContact C-O 3.4Å; C670-E674 VanDerWaalsContact CA-O 3.31Å; C670-E674 WeakPolarHBondContact CA-O 3.29Å
671	V	88.8	Confident	86.4	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	123.5	176.2	-172.5	0	0	0	0	109.2	V565 F591 D658 V669 G673 E674 K676 L684	V565-V671 HydrophobicContact CG1-CG1 4.32Å; V565-V671 HydrophobicContact CG2-CG2 4.18Å; F591-V671 HydrophobicContact CB-CG1 4.02Å; F591-V671 HydrophobicContact CD1-CG1 3.3Å; F591-V671 HydrophobicContact CD2-CG1 3.81Å; F591-V671 HydrophobicContact CE1-CG1 3.53Å; F591-V671 HydrophobicContact CE2-CG1 4.04Å; F591-V671 HydrophobicContact CG-CG1 3.43Å; F591-V671 VanDerWaalsContact CG-CG1 3.43Å; F591-V671 HydrophobicContact CZ-CG1 3.9Å; D658-V671 WeakPolarHBondContact OD1-CA 3.42Å; V669-V671 HydrophobicContact CG2-CG2 3.94Å; V671-G673 PolarHBondContact O-N 2.89Å; V671-E674 PolarHBondContact N-O 2.89Å; V671-E674 PolarHBondContact O-N 3.14Å; V671-K676 HydrophobicContact CB-CG 3.79Å; V671-K676 HydrophobicContact CG2-CB 4.15Å; V671-K676 HydrophobicContact CG2-CG 3.88Å; V671-L684 HydrophobicContact CG2-CD1 3.87Å; V671-L684 HydrophobicContact CG2-CD2 4.32Å
672	N	79.1	Confident	86.2	Confident	33 Å²	33	45.7 Å²	45.7	18%	0.176	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	31.6	-173	-135.2	63.3	0	0	0	113	R230 K589 F591 D658	R230-N672 HydrophobicContact CB-CB 4.41Å; R230-N672 WeakPolarHBondContact CB-ND2 3.42Å; R230-N672 WeakPolarHBondContact CD-O 3.04Å; R230-N672 PolarHBondContact NH1-O 3.15Å; R230-N672 PolarHBondContact O-ND2 3.29Å; K589-N672 PolarHBondContact NZ-OD1 3.14Å; F591-N672 HydrophobicContact CE1-CB 4.5Å; F591-N672 HydrophobicContact CE2-CB 4.41Å; F591-N672 HydrophobicContact CZ-CB 3.77Å; D658-N672 PolarHBondContact OD1-N 3.16Å
673	G	80.1	Confident	86.1	Confident	11 Å²	11	48.2 Å²	48.2	11%	0.113	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	14.5	-176.4	0	0	0	0	0	116	R230 V671	R230-G673 PolarHBondContact NH1-O 2.9Å; V671-G673 PolarHBondContact O-N 2.89Å
674	E	84.1	Confident	86.3	Confident	31 Å²	31	42.7 Å²	42.7	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.2	171.6	-62.5	-170.6	153.6	0	0	111.8	R230 C637 C670 V671 K676	R230-E674 HydrophobicContact CG-CG 4.41Å; R230-E674 IonicContact CZ-OE1 3.66Å; R230-E674 IonicContact NE-OE1 3.87Å; R230-E674 PolarHBondContact NE-OE1 3.34Å; R230-E674 IonicContact NH2-OE1 2.71Å; R230-E674 PolarHBondContact NH2-OE1 2.02Å; C637-E674 VanDerWaalsContact SG-C 3.6Å; C670-E674 CarbonylContact C-O 3.4Å; C670-E674 VanDerWaalsContact CA-O 3.31Å; C670-E674 WeakPolarHBondContact CA-O 3.29Å; V671-E674 PolarHBondContact N-O 2.89Å; V671-E674 PolarHBondContact O-N 3.14Å; E674-K676 PolarHBondContact O-N 3.48Å; E674-K676 IonicContact OE2-NZ 2.81Å; E674-K676 PolarHBondContact OE2-NZ 2.88Å
675	C	89.6	Confident	86.6	Confident	54 Å²	54	40.4 Å²	40.4	37%	0.365	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.4	170.4	-163.8	0	0	0	0	110.1	C637 C662 D668	C637-C675 PolarHBondContact SG-N 3.1Å; C637-C675 VanDerWaalsContact SG-N 3.39Å; C662-C675 HydrophobicContact CB-CB 4.01Å; C662-C675 WeakPolarHBondContact CB-SG 3.46Å; C662-C675 WeakPolarHBondContact SG-CA 3.2Å; C662-C675 WeakPolarHBondContact SG-CB 3.33Å; C662-C675 CovalentContact SG-SG 2.03Å; C662-C675 PolarHBondContact SG-SG 2.82Å; D668-C675 WeakPolarHBondContact CB-SG 3.43Å
676	K	90.6	Very high	87.4	Confident	75 Å²	75	35.9 Å²	35.9	33%	0.326	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.2	178.3	-61.3	-58.5	174.5	-160.4	0	110.2	D668 V669 V671 E674 L684	D668-K676 WeakPolarHBondContact CA-O 3.15Å; D668-K676 WeakPolarHBondContact CB-O 3.41Å; V669-K676 PolarHBondContact N-O 2.85Å; V669-K676 VanDerWaalsContact N-O 3.14Å; V669-K676 PolarHBondContact O-N 2.92Å; V671-K676 HydrophobicContact CB-CG 3.79Å; V671-K676 HydrophobicContact CG2-CB 4.15Å; V671-K676 HydrophobicContact CG2-CG 3.88Å; E674-K676 PolarHBondContact O-N 3.48Å; E674-K676 IonicContact OE2-NZ 2.81Å; E674-K676 PolarHBondContact OE2-NZ 2.88Å; K676-L684 HydrophobicContact CB-CD1 3.57Å; K676-L684 HydrophobicContact CG-CD1 4.36Å
677	H	91.4	Very high	87.6	Confident	86 Å²	86	40.1 Å²	40.1	40%	0.398	23%	0.227	S	C	.	.			trans	-67	143.8	-179.1	-168.3	41.6	0	0	0	112.1	D668 G685	D668-H677 WeakPolarHBondContact OD1-CA 3.14Å; D668-H677 IonicContact OD1-CE1 2.77Å; D668-H677 IonicContact OD1-CG 2.71Å; D668-H677 IonicContact OD1-ND1 2.6Å; D668-H677 PolarHBondContact OD1-ND1 3.31Å; H677-G685 PolarHBondContact O-N 2.61Å
678	V	91.4	Very high	87.7	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.036	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-142.4	131.3	-178.8	179	0	0	0	0	108.2	L667 V669 R682 V683 L684	L667-V678 WeakPolarHBondContact O-CB 3.35Å; V669-V678 HydrophobicContact CB-CG2 4.32Å; V669-V678 HydrophobicContact CG1-CG2 4.2Å; V669-V678 HydrophobicContact CG2-CG2 3.72Å; V678-R682 VanDerWaalsContact CG1-C 3.44Å; V678-R682 VanDerWaalsContact CG1-CA 3.48Å; V678-R682 HydrophobicContact CG1-CB 4.5Å; V678-V683 WeakPolarHBondContact CA-O 3.4Å; V678-L684 HydrophobicContact CG2-CD1 4.14Å
679	G	87.5	Confident	87.5	Confident	3 Å²	3	46.6 Å²	46.6	3%	0.031	25%	0.25	C	C	.	.			trans	-74.1	174.7	177.7	0	0	0	0	0	113	D681 R682 V683 S686 V688	G679-D681 WeakPolarHBondContact CA-OD1 3.34Å; G679-D681 PolarHBondContact O-N 2.94Å; G679-D681 VanDerWaalsContact O-N 3.11Å; G679-R682 PolarHBondContact O-N 2.8Å; G679-V683 PolarHBondContact N-O 2.86Å; G679-S686 WeakPolarHBondContact CA-O 3.42Å; G679-S686 PolarHBondContact N-O 3.45Å; G679-S686 VanDerWaalsContact N-O 3.11Å; G679-V688 WeakPolarHBondContact CA-O 3.48Å
680	C	87.6	Confident	87.3	Confident	20 Å²	20	49.2 Å²	49.2	14%	0.135	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.6	173.8	61.2	0	0	0	0	113.8	L667 R682 V688 R689 E690 C696	L667-C680 HydrophobicContact CD1-CB 4.36Å; C680-R682 PolarHBondContact O-N 3.31Å; C680-V688 PolarHBondContact N-O 3.04Å; C680-V688 VanDerWaalsContact SG-C 3.5Å; C680-V688 PolarHBondContact SG-O 3.05Å; C680-R689 VanDerWaalsContact SG-CA 3.59Å; C680-R689 PolarHBondContact SG-O 2.78Å; C680-E690 HydrophobicContact CB-CG 3.85Å; C680-C696 HydrophobicContact CB-CB 3.59Å; C680-C696 WeakPolarHBondContact CB-SG 3.35Å; C680-C696 WeakPolarHBondContact SG-CA 3.45Å; C680-C696 WeakPolarHBondContact SG-CB 3.38Å; C680-C696 CovalentContact SG-SG 2.03Å; C680-C696 PolarHBondContact SG-SG 3.06Å
681	D	85.9	Confident	87.2	Confident	43 Å²	43	50.2 Å²	50.2	23%	0.23	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.6	174.7	59.9	4.4	0	0	0	113.3	G679 V683 S686 C696	G679-D681 WeakPolarHBondContact CA-OD1 3.34Å; G679-D681 PolarHBondContact O-N 2.94Å; G679-D681 VanDerWaalsContact O-N 3.11Å; D681-V683 HydrophobicContact CB-CG2 4.18Å; D681-V683 PolarHBondContact O-N 3.05Å; D681-V683 WeakPolarHBondContact OD1-CB 3.09Å; D681-V683 PolarHBondContact OD1-N 3.26Å; D681-S686 WeakPolarHBondContact OD1-CB 3.39Å; D681-S686 PolarHBondContact OD1-OG 3.39Å; D681-S686 VanDerWaalsContact OD2-CB 3.27Å; D681-S686 WeakPolarHBondContact OD2-CB 3.4Å; D681-S686 PolarHBondContact OD2-OG 2.77Å; D681-C696 PolarHBondContact N-SG 3.33Å
682	R	87.8	Confident	87.2	Confident	65 Å²	65	55.7 Å²	55.7	25%	0.245	29%	0.287	C	S	.	.			trans	62.3	23.1	-174	-48.7	-175.2	-172.2	-134.7	4.1	113.3	G562 S593 I596 E598 V678 G679 C680	G562-R682 PolarHBondContact O-NH1 2.9Å; G562-R682 VanDerWaalsContact O-NH1 3.09Å; S593-R682 WeakPolarHBondContact CB-O 3.34Å; S593-R682 PolarHBondContact OG-O 3.27Å; I596-R682 HydrophobicContact CB-CB 4.23Å; I596-R682 HydrophobicContact CG2-CB 4.21Å; I596-R682 WeakPolarHBondContact O-CD 3.47Å; E598-R682 IonicContact OE1-CZ 2.8Å; E598-R682 IonicContact OE1-NH2 2.87Å; E598-R682 PolarHBondContact OE1-NH2 2.61Å; V678-R682 VanDerWaalsContact CG1-C 3.44Å; V678-R682 VanDerWaalsContact CG1-CA 3.48Å; V678-R682 HydrophobicContact CG1-CB 4.5Å; G679-R682 PolarHBondContact O-N 2.8Å; C680-R682 PolarHBondContact O-N 3.31Å
683	V	87.7	Confident	87.7	Confident	56 Å²	56	54.8 Å²	54.8	34%	0.339	28%	0.283	S	S	.	.			trans	-94.7	126.1	176.6	-179.1	0	0	0	0	111	S593 V678 G679 D681 G685 S686	S593-V683 WeakPolarHBondContact OG-CA 3.29Å; V678-V683 WeakPolarHBondContact CA-O 3.4Å; G679-V683 PolarHBondContact N-O 2.86Å; D681-V683 HydrophobicContact CB-CG2 4.18Å; D681-V683 PolarHBondContact O-N 3.05Å; D681-V683 WeakPolarHBondContact OD1-CB 3.09Å; D681-V683 PolarHBondContact OD1-N 3.26Å; V683-G685 PolarHBondContact O-N 3.1Å; V683-S686 VanDerWaalsContact O-CB 3.28Å; V683-S686 WeakPolarHBondContact O-CB 3.48Å; V683-S686 PolarHBondContact O-N 3.06Å; V683-S686 VanDerWaalsContact O-N 3.08Å
684	L	87.8	Confident	88	Confident	42 Å²	42	58.5 Å²	58.5	22%	0.22	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-61.3	118.5	179.3	-174.2	69.8	0	0	0	111.1	F591 S593 V669 V671 K676 V678	F591-L684 HydrophobicContact CB-CD2 3.9Å; S593-L684 PolarHBondContact OG-N 2.86Å; V669-L684 HydrophobicContact CG2-CD1 4.23Å; V671-L684 HydrophobicContact CG2-CD1 3.87Å; V671-L684 HydrophobicContact CG2-CD2 4.32Å; K676-L684 HydrophobicContact CB-CD1 3.57Å; K676-L684 HydrophobicContact CG-CD1 4.36Å; V678-L684 HydrophobicContact CG2-CD1 4.14Å
685	G	84.4	Confident	88.2	Confident	56 Å²	56	58.6 Å²	58.6	58%	0.577	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	18.3	-176.2	0	0	0	0	0	115	H677 V683	H677-G685 PolarHBondContact O-N 2.61Å; V683-G685 PolarHBondContact O-N 3.1Å
686	S	88.5	Confident	88.1	Confident	18 Å²	18	57.5 Å²	57.5	13%	0.126	29%	0.287	C	S	.	.			trans	-85.8	129.5	170.2	-174.9	0	0	0	0	110.9	G679 D681 V683 V688	G679-S686 WeakPolarHBondContact CA-O 3.42Å; G679-S686 PolarHBondContact N-O 3.45Å; G679-S686 VanDerWaalsContact N-O 3.11Å; D681-S686 WeakPolarHBondContact OD1-CB 3.39Å; D681-S686 PolarHBondContact OD1-OG 3.39Å; D681-S686 VanDerWaalsContact OD2-CB 3.27Å; D681-S686 WeakPolarHBondContact OD2-CB 3.4Å; D681-S686 PolarHBondContact OD2-OG 2.77Å; V683-S686 VanDerWaalsContact O-CB 3.28Å; V683-S686 WeakPolarHBondContact O-CB 3.48Å; V683-S686 PolarHBondContact O-N 3.06Å; V683-S686 VanDerWaalsContact O-N 3.08Å; S686-V688 VanDerWaalsContact C-N 3.29Å; S686-V688 WeakPolarHBondContact OG-CG2 3Å
687	D	87.1	Confident	87.8	Confident	124 Å²	124	56 Å²	56	66%	0.663	29%	0.293	S	S	*	.			trans	-86.6	5.4	176.9	-66.5	-60.5	0	0	0	113.3
688	V	85.9	Confident	87.6	Confident	53 Å²	53	53.2 Å²	53.2	32%	0.321	29%	0.288	S	S	.	.			trans	-70.7	133.8	-177.5	-172.6	0	0	0	0	110.6	G679 C680 S686	G679-V688 WeakPolarHBondContact CA-O 3.48Å; C680-V688 PolarHBondContact N-O 3.04Å; C680-V688 VanDerWaalsContact SG-C 3.5Å; C680-V688 PolarHBondContact SG-O 3.05Å; S686-V688 VanDerWaalsContact C-N 3.29Å; S686-V688 WeakPolarHBondContact OG-CG2 3Å
689	R	87.6	Confident	87.3	Confident	187 Å²	187	58.1 Å²	58.1	71%	0.706	31%	0.314	S	S	*	.			trans	-119.7	160.3	-173.6	-61.5	-178.1	-175.2	-169.7	-1.1	112.7	C680 G697	C680-R689 VanDerWaalsContact SG-CA 3.59Å; C680-R689 PolarHBondContact SG-O 2.78Å; R689-G697 PolarHBondContact O-N 2.8Å
690	E	88.5	Confident	87.1	Confident	67 Å²	67	58.3 Å²	58.3	31%	0.313	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-65.1	136.3	166.3	-63.2	-178.9	166.5	0	0	109.3	C680 R694	C680-E690 HydrophobicContact CB-CG 3.85Å; E690-R694 HydrophobicContact CB-CG 4.33Å; E690-R694 HydrophobicContact CG-CG 4.33Å; E690-R694 IonicContact OE1-CZ 3.23Å; E690-R694 IonicContact OE1-NE 3.72Å; E690-R694 PolarHBondContact OE1-NE 2.79Å; E690-R694 IonicContact OE1-NH2 3.67Å; E690-R694 PolarHBondContact OE1-NH2 2.84Å; E690-R694 WeakPolarHBondContact OE2-CG 3.26Å; E690-R694 IonicContact OE2-CZ 2.68Å; E690-R694 IonicContact OE2-NE 2.76Å; E690-R694 PolarHBondContact OE2-NE 3.41Å; E690-R694 IonicContact OE2-NH2 3.46Å
691	D	89.3	Confident	87	Confident	21 Å²	21	60.5 Å²	60.5	11%	0.112	33%	0.332	C	S	.	.			trans	-79	-178.3	173	76.4	-2.5	0	0	0	111.9	C693 R694 I695 G698 D699 G700 F732	D691-C693 PolarHBondContact O-N 3.21Å; D691-C693 WeakPolarHBondContact OD1-CA 3.39Å; D691-C693 VanDerWaalsContact OD1-CB 3.31Å; D691-C693 WeakPolarHBondContact OD1-CB 3.4Å; D691-C693 PolarHBondContact OD1-N 2.92Å; D691-R694 PolarHBondContact O-N 3.07Å; D691-R694 PolarHBondContact OD1-N 3.28Å; D691-I695 PolarHBondContact N-O 3.04Å; D691-I695 PolarHBondContact OD1-N 2.74Å; D691-G698 VanDerWaalsContact OD2-C 3.26Å; D691-G698 VanDerWaalsContact OD2-CA 3.27Å; D691-G698 WeakPolarHBondContact OD2-CA 3.2Å; D691-D699 PolarHBondContact OD2-N 3.07Å; D691-G700 VanDerWaalsContact OD2-CA 3.29Å; D691-G700 WeakPolarHBondContact OD2-CA 3.02Å; D691-G700 PolarHBondContact OD2-N 2.53Å; D691-F732 WeakPolarHBondContact O-CE2 3.1Å
692	R	88.9	Confident	87	Confident	119 Å²	119	60.4 Å²	60.4	45%	0.449	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.5	176.5	69.5	163.2	-172.5	168.5	-4.4	114.1	G700 C703 S705 F732 N815	R692-G700 VanDerWaalsContact CZ-O 3.3Å; R692-G700 PolarHBondContact NE-O 2.97Å; R692-G700 PolarHBondContact NH2-O 2.04Å; R692-C703 PolarHBondContact NH2-O 2.83Å; R692-C703 VanDerWaalsContact NH2-O 3.15Å; R692-S705 PolarHBondContact NH1-OG 2.89Å; R692-S705 VanDerWaalsContact NH1-OG 3.15Å; R692-F732 VanDerWaalsContact O-CD2 3.27Å; R692-F732 WeakPolarHBondContact O-CD2 3.42Å; R692-N815 PolarHBondContact O-ND2 2.85Å
693	C	90.1	Very high	87.1	Confident	13 Å²	13	57.6 Å²	57.6	9%	0.088	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	9.8	178.6	-52.8	0	0	0	0	112.3	D691 I695 G700 S702 C703	D691-C693 PolarHBondContact O-N 3.21Å; D691-C693 WeakPolarHBondContact OD1-CA 3.39Å; D691-C693 VanDerWaalsContact OD1-CB 3.31Å; D691-C693 WeakPolarHBondContact OD1-CB 3.4Å; D691-C693 PolarHBondContact OD1-N 2.92Å; C693-I695 HydrophobicContact CB-CG1 4.41Å; C693-I695 PolarHBondContact O-N 3.43Å; C693-G700 VanDerWaalsContact SG-C 3.54Å; C693-G700 PolarHBondContact SG-O 2.79Å; C693-G700 VanDerWaalsContact SG-O 3.4Å; C693-S702 WeakPolarHBondContact CB-OG 3.45Å; C693-S702 PolarHBondContact SG-OG 3.34Å; C693-C703 WeakPolarHBondContact CA-SG 3.45Å; C693-C703 HydrophobicContact CB-CB 3.64Å; C693-C703 WeakPolarHBondContact CB-SG 3.42Å; C693-C703 VanDerWaalsContact SG-CA 3.57Å; C693-C703 WeakPolarHBondContact SG-CB 3.39Å; C693-C703 PolarHBondContact SG-N 3.27Å; C693-C703 CovalentContact SG-SG 2.03Å; C693-C703 PolarHBondContact SG-SG 3.47Å
694	R	87.6	Confident	87.3	Confident	90 Å²	90	58.3 Å²	58.3	34%	0.34	33%	0.329	S	S	.	.	S	Bend	trans	60.4	24.7	-175.8	-142.7	-173.1	169.2	-135.1	-33.4	114.4	E690 D691 V731 F732 G791	E690-R694 HydrophobicContact CB-CG 4.33Å; E690-R694 HydrophobicContact CG-CG 4.33Å; E690-R694 IonicContact OE1-CZ 3.23Å; E690-R694 IonicContact OE1-NE 3.72Å; E690-R694 PolarHBondContact OE1-NE 2.79Å; E690-R694 IonicContact OE1-NH2 3.67Å; E690-R694 PolarHBondContact OE1-NH2 2.84Å; E690-R694 WeakPolarHBondContact OE2-CG 3.26Å; E690-R694 IonicContact OE2-CZ 2.68Å; E690-R694 IonicContact OE2-NE 2.76Å; E690-R694 PolarHBondContact OE2-NE 3.41Å; E690-R694 IonicContact OE2-NH2 3.46Å; D691-R694 PolarHBondContact O-N 3.07Å; D691-R694 PolarHBondContact OD1-N 3.28Å; R694-V731 HydrophobicContact CB-CB 4.07Å; R694-V731 HydrophobicContact CB-CG1 3.78Å; R694-V731 HydrophobicContact CB-CG2 4.22Å; R694-F732 HydrophobicContact CB-CE2 4.18Å; R694-F732 HydrophobicContact CG-CE2 4.36Å; R694-F732 HydrophobicContact CG-CZ 4.47Å; R694-G791 PolarHBondContact NH1-O 3.05Å
695	I	88	Confident	87.4	Confident	32 Å²	32	58.7 Å²	58.7	16%	0.164	34%	0.335	C	S	.	.			trans	-92.9	124.1	172.4	-57.6	-166.5	0	0	0	109	D691 C693 G697 G698 S702 F864	D691-I695 PolarHBondContact N-O 3.04Å; D691-I695 PolarHBondContact OD1-N 2.74Å; C693-I695 HydrophobicContact CB-CG1 4.41Å; C693-I695 PolarHBondContact O-N 3.43Å; I695-G697 PolarHBondContact O-N 2.87Å; I695-G698 PolarHBondContact O-N 3Å; I695-G698 VanDerWaalsContact O-N 3.13Å; I695-S702 WeakPolarHBondContact CD1-OG 3.38Å; I695-F864 HydrophobicContact CD1-CE1 4.29Å; I695-F864 HydrophobicContact CD1-CZ 4.02Å; I695-F864 HydrophobicContact CG2-CZ 4.4Å
696	C	87.2	Confident	87.8	Confident	31 Å²	31	58.5 Å²	58.5	21%	0.209	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-62.5	121.1	175.3	-179.1	0	0	0	0	111.5	C680 D681 G698	C680-C696 HydrophobicContact CB-CB 3.59Å; C680-C696 WeakPolarHBondContact CB-SG 3.35Å; C680-C696 WeakPolarHBondContact SG-CA 3.45Å; C680-C696 WeakPolarHBondContact SG-CB 3.38Å; C680-C696 CovalentContact SG-SG 2.03Å; C680-C696 PolarHBondContact SG-SG 3.06Å; D681-C696 PolarHBondContact N-SG 3.33Å; C696-G698 PolarHBondContact O-N 2.96Å
697	G	84.9	Confident	88.2	Confident	43 Å²	43	62.2 Å²	62.2	44%	0.443	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	21.4	-176.3	0	0	0	0	0	114.1	R689 I695	R689-G697 PolarHBondContact O-N 2.8Å; I695-G697 PolarHBondContact O-N 2.87Å
698	G	85.3	Confident	88.5	Confident	29 Å²	29	57.1 Å²	57.1	30%	0.299	32%	0.315	S	S	.	.			trans	-75.9	166.3	178.7	0	0	0	0	0	114.2	D691 I695 C696	D691-G698 VanDerWaalsContact OD2-C 3.26Å; D691-G698 VanDerWaalsContact OD2-CA 3.27Å; D691-G698 WeakPolarHBondContact OD2-CA 3.2Å; I695-G698 PolarHBondContact O-N 3Å; I695-G698 VanDerWaalsContact O-N 3.13Å; C696-G698 PolarHBondContact O-N 2.96Å
699	D	85.2	Confident	88.8	Confident	108 Å²	108	57.8 Å²	57.8	58%	0.578	32%	0.319	S	S	*	.			trans	-96.1	1.3	-179.8	59.4	12.1	0	0	0	113.1	D691 S701 R853	D691-D699 PolarHBondContact OD2-N 3.07Å; D699-S701 VanDerWaalsContact C-N 3.28Å; D699-S701 VanDerWaalsContact CG-OG 3.22Å; D699-S701 PolarHBondContact O-N 2.86Å; D699-S701 WeakPolarHBondContact OD1-CB 3.02Å; D699-S701 PolarHBondContact OD1-N 3.41Å; D699-S701 PolarHBondContact OD1-OG 2.89Å; D699-S701 PolarHBondContact OD2-OG 2.88Å; D699-R853 IonicContact OD2-NH2 3.73Å
700	G	84.9	Confident	89	Confident	8 Å²	8	49.7 Å²	49.7	8%	0.082	29%	0.289	C	S	.	.	S	Bend	trans	72.3	11.1	-174.8	0	0	0	0	0	115.1	D691 R692 C693	D691-G700 VanDerWaalsContact OD2-CA 3.29Å; D691-G700 WeakPolarHBondContact OD2-CA 3.02Å; D691-G700 PolarHBondContact OD2-N 2.53Å; R692-G700 VanDerWaalsContact CZ-O 3.3Å; R692-G700 PolarHBondContact NE-O 2.97Å; R692-G700 PolarHBondContact NH2-O 2.04Å; C693-G700 VanDerWaalsContact SG-C 3.54Å; C693-G700 PolarHBondContact SG-O 2.79Å; C693-G700 VanDerWaalsContact SG-O 3.4Å
701	S	84.7	Confident	89.1	Confident	66 Å²	66	51.3 Å²	51.3	46%	0.462	30%	0.3	S	S	.	.			trans	-88.2	-15.1	-176.6	72.9	0	0	0	0	115.1	D699 C703	D699-S701 VanDerWaalsContact C-N 3.28Å; D699-S701 VanDerWaalsContact CG-OG 3.22Å; D699-S701 PolarHBondContact O-N 2.86Å; D699-S701 WeakPolarHBondContact OD1-CB 3.02Å; D699-S701 PolarHBondContact OD1-N 3.41Å; D699-S701 PolarHBondContact OD1-OG 2.89Å; D699-S701 PolarHBondContact OD2-OG 2.88Å; S701-C703 VanDerWaalsContact C-N 3.33Å; S701-C703 PolarHBondContact O-N 2.82Å
702	S	85.3	Confident	88.8	Confident	41 Å²	41	55.4 Å²	55.4	29%	0.287	32%	0.322	S	S	.	.	S	Bend	trans	-79.5	-11	-175.2	55.1	0	0	0	0	114.6	C693 I695 V818	C693-S702 WeakPolarHBondContact CB-OG 3.45Å; C693-S702 PolarHBondContact SG-OG 3.34Å; I695-S702 WeakPolarHBondContact CD1-OG 3.38Å; S702-V818 PolarHBondContact O-N 2.73Å
703	C	90.5	Very high	88.3	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.034	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-133.9	153.8	178.2	70.5	0	0	0	0	111.1	R692 C693 S701 N815 P816	R692-C703 PolarHBondContact NH2-O 2.83Å; R692-C703 VanDerWaalsContact NH2-O 3.15Å; C693-C703 WeakPolarHBondContact CA-SG 3.45Å; C693-C703 HydrophobicContact CB-CB 3.64Å; C693-C703 WeakPolarHBondContact CB-SG 3.42Å; C693-C703 VanDerWaalsContact SG-CA 3.57Å; C693-C703 WeakPolarHBondContact SG-CB 3.39Å; C693-C703 PolarHBondContact SG-N 3.27Å; C693-C703 CovalentContact SG-SG 2.03Å; C693-C703 PolarHBondContact SG-SG 3.47Å; S701-C703 VanDerWaalsContact C-N 3.33Å; S701-C703 PolarHBondContact O-N 2.82Å; C703-N815 HydrophobicContact CB-CB 4.29Å; C703-P816 VanDerWaalsContact CA-O 3.28Å; C703-P816 WeakPolarHBondContact CA-O 3.25Å; C703-P816 VanDerWaalsContact CB-O 3.27Å; C703-P816 WeakPolarHBondContact CB-O 3.48Å
704	T	91.7	Very high	87.7	Confident	72 Å²	72	56.3 Å²	56.3	44%	0.442	34%	0.344	S	S	.	.			trans	-92.6	166.7	159.7	40.8	0	0	0	0	109.7	N815 P816 V818	T704-N815 CarbonylContact O-C 3.55Å; T704-N815 WeakPolarHBondContact O-CA 3.47Å; T704-N815 WeakPolarHBondContact O-CB 3.43Å; T704-P816 PolarHBondContact N-O 3.47Å; T704-P816 VanDerWaalsContact N-O 3.08Å; T704-P816 WeakPolarHBondContact O-CD 3.33Å; T704-V818 HydrophobicContact CG2-CG2 4.24Å
705	S	90.8	Very high	87	Confident	50 Å²	50	54.4 Å²	54.4	35%	0.35	34%	0.343	S	S	.	.			trans	-106.5	128.6	167.8	-65.2	0	0	0	0	108.8	R692 N815	R692-S705 PolarHBondContact NH1-OG 2.89Å; R692-S705 VanDerWaalsContact NH1-OG 3.15Å; S705-N815 VanDerWaalsContact CA-OD1 3.23Å; S705-N815 WeakPolarHBondContact CA-OD1 3.45Å; S705-N815 WeakPolarHBondContact CB-OD1 3.49Å; S705-N815 PolarHBondContact OG-OD1 2.77Å
706	V	93.1	Very high	86.5	Confident	51 Å²	51	61 Å²	61	31%	0.309	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.8	172	176	0	0	0	0	107	Y812 R813 F814 P816	V706-Y812 HydrophobicContact CG1-CE2 4.27Å; V706-R813 CarbonylContact O-C 3.53Å; V706-R813 VanDerWaalsContact O-CA 3.32Å; V706-R813 WeakPolarHBondContact O-CA 3.48Å; V706-F814 HydrophobicContact CB-CD2 4.32Å; V706-F814 HydrophobicContact CB-CE1 4.46Å; V706-F814 HydrophobicContact CB-CE2 3.97Å; V706-F814 HydrophobicContact CB-CZ 4.06Å; V706-F814 HydrophobicContact CG1-CE1 4.04Å; V706-F814 HydrophobicContact CG1-CE2 4.14Å; V706-F814 HydrophobicContact CG1-CZ 3.71Å; V706-F814 HydrophobicContact CG2-CE2 4.28Å; V706-F814 PolarHBondContact N-O 3.33Å; V706-F814 PolarHBondContact O-N 2.79Å; V706-F814 VanDerWaalsContact O-O 3.05Å; V706-P816 HydrophobicContact CG2-CG 3.72Å
707	E	95.1	Very high	86	Confident	96 Å²	96	65.6 Å²	65.6	45%	0.449	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	138.6	-179.4	-175	161	-155.7	0	0	108.6	H811 Y812 R813	E707-H811 IonicContact OE1-CE1 2.71Å; E707-H811 PolarHBondContact OE1-CE1 2.76Å; E707-H811 IonicContact OE1-NE2 2.79Å; E707-H811 PolarHBondContact OE1-NE2 3.39Å; E707-Y812 VanDerWaalsContact CA-O 3.32Å; E707-Y812 WeakPolarHBondContact CA-O 3.36Å; E707-R813 HydrophobicContact CB-CB 4.45Å; E707-R813 HydrophobicContact CB-CG 4.2Å; E707-R813 HydrophobicContact CG-CB 4.17Å; E707-R813 HydrophobicContact CG-CG 4.17Å; E707-R813 WeakPolarHBondContact OE1-CD 3.24Å; E707-R813 IonicContact OE1-CZ 3.22Å; E707-R813 IonicContact OE1-NH1 2.65Å; E707-R813 PolarHBondContact OE1-NH1 3.28Å; E707-R813 IonicContact OE2-CZ 3.92Å; E707-R813 IonicContact OE2-NE 2.89Å; E707-R813 IonicContact OE2-NH1 3.79Å; E707-R813 PolarHBondContact OE2-NH1 3.41Å; E707-R813 IonicContact OE2-NH2 3.86Å
708	G	93.2	Very high	85.8	Confident	18 Å²	18	64.8 Å²	64.8	19%	0.186	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	177.7	-175.1	0	0	0	0	0	112.6	H811 Y812	G708-H811 WeakPolarHBondContact O-CA 3.37Å; G708-H811 PolarHBondContact O-CD2 3.31Å; G708-Y812 PolarHBondContact N-O 3.42Å; G708-Y812 PolarHBondContact O-N 3.05Å
709	V	93.8	Very high	85.8	Confident	66 Å²	66	67.9 Å²	67.9	40%	0.4	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.2	174.9	-171.1	0	0	0	0	108.2	N711 L738 I810	V709-N711 WeakPolarHBondContact CG1-OD1 3.44Å; V709-L738 HydrophobicContact CG1-CD1 3.74Å; V709-L738 HydrophobicContact CG1-CG 4.41Å; V709-I810 CarbonylContact C-O 3.51Å; V709-I810 WeakPolarHBondContact CA-O 3.39Å
710	F	92.1	Very high	86	Confident	17 Å²	17	64.8 Å²	64.8	8%	0.075	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108	173.9	175.5	-97	0	0	0	109.3	D712 L714 E721 V723 V801 N807 G809 I810 Y812	F710-D712 HydrophobicContact CD2-CB 4.43Å; F710-D712 HydrophobicContact CE2-CB 3.77Å; F710-D712 WeakPolarHBondContact CE2-OD2 3.34Å; F710-D712 HydrophobicContact CZ-CB 3.87Å; F710-L714 HydrophobicContact CE1-CD2 4.02Å; F710-L714 HydrophobicContact CZ-CD2 4.36Å; F710-E721 HydrophobicContact CZ-CG 3.79Å; F710-V723 HydrophobicContact CB-CG1 3.83Å; F710-V723 HydrophobicContact CD1-CG1 4.34Å; F710-V723 HydrophobicContact CD1-CG2 4Å; F710-V723 HydrophobicContact CE1-CG2 4.25Å; F710-V723 HydrophobicContact CG-CB 4.44Å; F710-V723 HydrophobicContact CG-CG1 4.08Å; F710-V723 HydrophobicContact CG-CG2 4.42Å; F710-V801 HydrophobicContact CE1-CG1 4.35Å; F710-N807 WeakPolarHBondContact CD1-ND2 3.4Å; F710-N807 WeakPolarHBondContact CE1-ND2 2.98Å; F710-N807 PolarHBondContact O-ND2 2.69Å; F710-N807 VanDerWaalsContact O-ND2 3.08Å; F710-G809 WeakPolarHBondContact O-CA 3.46Å; F710-I810 HydrophobicContact CB-CB 4.45Å; F710-I810 HydrophobicContact CD1-CD1 4.36Å; F710-I810 PolarHBondContact N-O 3.43Å; F710-I810 PolarHBondContact O-N 2.99Å; F710-Y812 HydrophobicContact CB-CE1 4.31Å
711	N	89	Confident	86.2	Confident	102 Å²	102	67.8 Å²	67.8	55%	0.545	39%	0.388	S	S	.	.			trans	-118.6	13.6	-176.6	-72.9	-16.6	0	0	0	112.4	V709 N807 G809	V709-N711 WeakPolarHBondContact CG1-OD1 3.44Å; N711-N807 WeakPolarHBondContact CA-ND2 3.27Å; N711-G809 WeakPolarHBondContact OD1-CA 3.41Å
712	D	83.9	Confident	86.6	Confident	107 Å²	107	67.4 Å²	67.4	57%	0.572	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-70.7	148.8	-173.6	-58.7	-24.6	0	0	0	110.8	F710 L714 N807	F710-D712 HydrophobicContact CD2-CB 4.43Å; F710-D712 HydrophobicContact CE2-CB 3.77Å; F710-D712 WeakPolarHBondContact CE2-OD2 3.34Å; F710-D712 HydrophobicContact CZ-CB 3.87Å; D712-L714 PolarHBondContact O-N 3.05Å; D712-N807 PolarHBondContact N-ND2 2.67Å; D712-N807 PolarHBondContact O-ND2 3.04Å
713	S	77.9	Confident	86.9	Confident	120 Å²	120	65.9 Å²	65.9	84%	0.839	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-69.8	124.1	178.8	53.4	0	0	0	0	110.6
714	L	77.8	Confident	87.1	Confident	31 Å²	31	66.6 Å²	66.6	16%	0.162	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-77.6	154.3	-171.7	-66.2	170.6	0	0	0	113.2	F710 D712 E721 V801 V803 N807	F710-L714 HydrophobicContact CE1-CD2 4.02Å; F710-L714 HydrophobicContact CZ-CD2 4.36Å; D712-L714 PolarHBondContact O-N 3.05Å; L714-E721 HydrophobicContact CD2-CB 3.68Å; L714-E721 HydrophobicContact CD2-CG 3.96Å; L714-V801 HydrophobicContact CD2-CG1 3.69Å; L714-V803 HydrophobicContact CB-CB 4.47Å; L714-V803 HydrophobicContact CB-CG1 3.77Å; L714-V803 HydrophobicContact CB-CG2 3.81Å; L714-V803 HydrophobicContact CD1-CB 4.48Å; L714-V803 HydrophobicContact CD1-CG1 3.97Å; L714-V803 HydrophobicContact CD1-CG2 4.07Å; L714-V803 HydrophobicContact CD2-CG2 4.09Å; L714-V803 HydrophobicContact CG-CG1 4.46Å; L714-V803 HydrophobicContact CG-CG2 4.19Å; L714-N807 HydrophobicContact CD1-CB 3.75Å; L714-N807 HydrophobicContact CG-CB 3.93Å
715	P	72.6	Confident	87.2	Confident	49 Å²	49	69.6 Å²	69.6	32%	0.318	38%	0.375	S	S	.	.			trans	-71.1	-168.6	171	31.4	-36.8	0	0	0	112.4	D719 E721 V803	P715-D719 HydrophobicContact CG-CB 4.32Å; P715-E721 HydrophobicContact CG-CB 4.39Å; P715-V803 HydrophobicContact CG-CG2 4.28Å
716	E	76.9	Confident	87.4	Confident	171 Å²	171	67.2 Å²	67.2	80%	0.799	36%	0.359	S	S	*	.	S	Bend	trans	-56.8	147.2	-174.6	-65.6	-168.8	162.4	0	0	114.2	G718 D719	E716-G718 PolarHBondContact O-N 3.07Å; E716-G718 VanDerWaalsContact O-N 3.11Å; E716-D719 PolarHBondContact O-N 2.89Å; E716-D719 VanDerWaalsContact O-N 3.1Å
717	I	78.4	Confident	87.4	Confident	127 Å²	127	67.2 Å²	67.2	65%	0.651	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	115.5	-179	-64.4	173.8	0	0	0	110.3
718	G	78.9	Confident	87.3	Confident	26 Å²	26	68.8 Å²	68.8	27%	0.268	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.7	-9.5	-178.6	0	0	0	0	0	115	E716 L760 V803	E716-G718 PolarHBondContact O-N 3.07Å; E716-G718 VanDerWaalsContact O-N 3.11Å; G718-L760 WeakPolarHBondContact O-CD2 3.47Å; G718-V803 PolarHBondContact N-O 3.42Å
719	D	85.6	Confident	87.2	Confident	94 Å²	94	69 Å²	69	50%	0.503	37%	0.368	S	S	.	.			trans	-86.5	176.7	175.4	-151.8	-4.6	0	0	0	112.9	P715 E716 V803	P715-D719 HydrophobicContact CG-CB 4.32Å; E716-D719 PolarHBondContact O-N 2.89Å; E716-D719 VanDerWaalsContact O-N 3.1Å; D719-V803 WeakPolarHBondContact O-CG2 3.39Å; D719-V803 PolarHBondContact O-N 3.2Å
720	Y	89	Confident	87.2	Confident	43 Å²	43	65.9 Å²	65.9	17%	0.169	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.2	-178.1	-72.7	-87.3	0	0	0	112	V746 Y754 N757 K759 L760 M800 V801 L802	Y720-V746 HydrophobicContact CD1-CB 4.32Å; Y720-V746 HydrophobicContact CD1-CG1 4.05Å; Y720-V746 HydrophobicContact CD1-CG2 3.84Å; Y720-V746 HydrophobicContact CE1-CB 4.24Å; Y720-V746 HydrophobicContact CE1-CG1 3.82Å; Y720-V746 HydrophobicContact CE1-CG2 3.53Å; Y720-Y754 HydrophobicContact CE1-CE1 4.37Å; Y720-N757 WeakPolarHBondContact CE1-O 3.34Å; Y720-N757 PolarHBondContact OH-O 3.29Å; Y720-K759 PolarHBondContact OH-N 2.74Å; Y720-L760 HydrophobicContact CE2-CD2 4.07Å; Y720-L760 PolarHBondContact OH-N 3.28Å; Y720-M800 HydrophobicContact CD1-CE 3.8Å; Y720-M800 HydrophobicContact CG-CE 4.07Å; Y720-V801 WeakPolarHBondContact CA-O 3.15Å; Y720-L802 HydrophobicContact CD1-CB 4.08Å; Y720-L802 HydrophobicContact CD1-CD1 4.37Å; Y720-L802 HydrophobicContact CD2-CD1 4.45Å; Y720-L802 HydrophobicContact CE1-CB 3.86Å; Y720-L802 HydrophobicContact CE1-CD1 4.09Å; Y720-L802 HydrophobicContact CE1-CG 4.38Å; Y720-L802 HydrophobicContact CE2-CD1 4.17Å
721	E	90.6	Very high	87.3	Confident	71 Å²	71	65.3 Å²	65.3	33%	0.332	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.3	177.7	-170.7	51.2	-99.8	0	0	112.5	F710 L714 P715 M800 V801	F710-E721 HydrophobicContact CZ-CG 3.79Å; L714-E721 HydrophobicContact CD2-CB 3.68Å; L714-E721 HydrophobicContact CD2-CG 3.96Å; P715-E721 HydrophobicContact CG-CB 4.39Å; E721-M800 CarbonylContact O-C 3.55Å; E721-M800 WeakPolarHBondContact O-CA 3.31Å; E721-M800 WeakPolarHBondContact O-CB 3.49Å; E721-V801 HydrophobicContact CB-CG1 4.13Å; E721-V801 PolarHBondContact N-O 3.01Å; E721-V801 PolarHBondContact O-N 3.27Å
722	E	91.5	Very high	87.5	Confident	58 Å²	58	63.9 Å²	63.9	27%	0.271	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112	-176.2	-170.7	176	100.9	0	0	112.9	R725 I798	E722-R725 VanDerWaalsContact CD-CZ 3.45Å; E722-R725 WeakPolarHBondContact OE1-CG 3.49Å; E722-R725 IonicContact OE1-CZ 3.38Å; E722-R725 IonicContact OE1-NE 2.76Å; E722-R725 PolarHBondContact OE1-NE 3.26Å; E722-R725 IonicContact OE1-NH2 3.06Å; E722-R725 PolarHBondContact OE1-NH2 3.47Å; E722-R725 IonicContact OE2-CZ 2.97Å; E722-R725 IonicContact OE2-NE 2.78Å; E722-R725 PolarHBondContact OE2-NE 3.4Å; E722-R725 IonicContact OE2-NH1 3.01Å; E722-R725 IonicContact OE2-NH2 3.78Å; E722-R725 PolarHBondContact OE2-NH2 2.88Å; E722-I798 HydrophobicContact CG-CG2 3.68Å; E722-I798 WeakPolarHBondContact OE2-CG2 3.36Å
723	V	92.5	Very high	88.1	Confident	10 Å²	10	59 Å²	59	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-53.3	-177.4	176.6	0	0	0	0	111.7	F710 V799 V801 I810 Y812	F710-V723 HydrophobicContact CB-CG1 3.83Å; F710-V723 HydrophobicContact CD1-CG1 4.34Å; F710-V723 HydrophobicContact CD1-CG2 4Å; F710-V723 HydrophobicContact CE1-CG2 4.25Å; F710-V723 HydrophobicContact CG-CB 4.44Å; F710-V723 HydrophobicContact CG-CG1 4.08Å; F710-V723 HydrophobicContact CG-CG2 4.42Å; V723-V799 HydrophobicContact CB-CB 4.34Å; V723-V799 HydrophobicContact CB-CG1 4.09Å; V723-V799 HydrophobicContact CG1-CG1 4.37Å; V723-V799 PolarHBondContact N-O 2.84Å; V723-V801 HydrophobicContact CG2-CB 3.98Å; V723-V801 HydrophobicContact CG2-CG1 3.88Å; V723-I810 HydrophobicContact CG1-CB 4.32Å; V723-I810 HydrophobicContact CG1-CG2 4Å; V723-I810 HydrophobicContact CG2-CD1 3.79Å; V723-Y812 HydrophobicContact CG1-CD1 4.24Å
724	V	94.4	Very high	88.9	Confident	19 Å²	19	55.7 Å²	55.7	12%	0.115	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	147.7	179.9	69.5	0	0	0	0	112.8	I726 V799 Y812 F814	V724-I726 HydrophobicContact CG1-CG1 4.49Å; V724-V799 HydrophobicContact CG1-CB 3.93Å; V724-V799 HydrophobicContact CG1-CG2 3.82Å; V724-V799 PolarHBondContact N-O 3.05Å; V724-V799 WeakPolarHBondContact O-CB 3.43Å; V724-V799 PolarHBondContact O-N 2.94Å; V724-Y812 HydrophobicContact CB-CD1 4.28Å; V724-Y812 HydrophobicContact CB-CD2 4.3Å; V724-Y812 HydrophobicContact CB-CE1 4.33Å; V724-Y812 HydrophobicContact CB-CE2 4.37Å; V724-Y812 HydrophobicContact CB-CG 4.25Å; V724-Y812 HydrophobicContact CG1-CD1 4.28Å; V724-Y812 HydrophobicContact CG1-CD2 4.21Å; V724-Y812 HydrophobicContact CG1-CG 3.95Å; V724-Y812 HydrophobicContact CG2-CD2 4.03Å; V724-Y812 HydrophobicContact CG2-CE2 3.87Å; V724-Y812 HydrophobicContact CG2-CG 4.48Å; V724-F814 HydrophobicContact CG1-CE1 4.24Å; V724-F814 HydrophobicContact CG2-CE1 3.69Å; V724-F814 HydrophobicContact CG2-CZ 3.89Å
725	R	94.2	Very high	89.8	Confident	135 Å²	135	54.2 Å²	54.2	51%	0.509	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.2	170.5	-56.2	-172.7	-170.3	-114.8	-4.5	110.4	E722 P727 I798	E722-R725 VanDerWaalsContact CD-CZ 3.45Å; E722-R725 WeakPolarHBondContact OE1-CG 3.49Å; E722-R725 IonicContact OE1-CZ 3.38Å; E722-R725 IonicContact OE1-NE 2.76Å; E722-R725 PolarHBondContact OE1-NE 3.26Å; E722-R725 IonicContact OE1-NH2 3.06Å; E722-R725 PolarHBondContact OE1-NH2 3.47Å; E722-R725 IonicContact OE2-CZ 2.97Å; E722-R725 IonicContact OE2-NE 2.78Å; E722-R725 PolarHBondContact OE2-NE 3.4Å; E722-R725 IonicContact OE2-NH1 3.01Å; E722-R725 IonicContact OE2-NH2 3.78Å; E722-R725 PolarHBondContact OE2-NH2 2.88Å; R725-P727 WeakPolarHBondContact O-CD 3.41Å; R725-I798 HydrophobicContact CG-CG1 4.33Å
726	I	94.7	Very high	90.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.2	178.2	-62	169.7	0	0	0	108.5	V724 I733 I735 T796 L797 V799 F814	V724-I726 HydrophobicContact CG1-CG1 4.49Å; I726-I733 HydrophobicContact CD1-CD1 4.43Å; I726-I733 HydrophobicContact CD1-CG1 4.42Å; I726-I733 HydrophobicContact CD1-CG2 3.68Å; I726-I733 HydrophobicContact CG2-CD1 3.82Å; I726-I733 HydrophobicContact CG2-CG1 4.1Å; I726-I735 HydrophobicContact CD1-CD1 4.14Å; I726-T796 WeakPolarHBondContact O-CA 3.41Å; I726-T796 WeakPolarHBondContact O-CG2 3.48Å; I726-L797 HydrophobicContact CB-CB 4.39Å; I726-L797 PolarHBondContact N-O 3.44Å; I726-L797 PolarHBondContact O-N 2.82Å; I726-V799 HydrophobicContact CD1-CG2 3.61Å; I726-V799 HydrophobicContact CG1-CG2 4.18Å; I726-F814 HydrophobicContact CG1-CD1 4.02Å; I726-F814 HydrophobicContact CG1-CE1 4.04Å; I726-F814 HydrophobicContact CG1-CG 4.34Å; I726-F814 HydrophobicContact CG1-CZ 4.39Å; I726-F814 HydrophobicContact CG2-CD2 4.29Å; I726-F814 HydrophobicContact CG2-CG 4.4Å
727	P	93.4	Very high	91.7	Very high	51 Å²	51	47.3 Å²	47.3	33%	0.331	24%	0.237	S	C	.	.			trans	-60.8	153.8	-179.5	-24.6	35.4	0	0	0	113.3	R725 G729 S730 T793 F814 P816	R725-P727 WeakPolarHBondContact O-CD 3.41Å; P727-G729 PolarHBondContact O-N 3.33Å; P727-S730 WeakPolarHBondContact CD-OG 3.4Å; P727-S730 WeakPolarHBondContact O-CB 3.4Å; P727-S730 PolarHBondContact O-N 3Å; P727-S730 PolarHBondContact O-OG 3.28Å; P727-T793 PolarHBondContact O-OG1 2.77Å; P727-F814 VanDerWaalsContact CD-CE2 3.48Å; P727-F814 HydrophobicContact CG-CE2 4.49Å; P727-P816 HydrophobicContact CB-CB 4.32Å; P727-P816 HydrophobicContact CG-CB 4.04Å
728	K	92.3	Very high	92.3	Very high	129 Å²	129	45.4 Å²	45.4	56%	0.561	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	135.7	163.6	175.4	173.2	178.8	156.6	0	110.8	T793 N794 T796	K728-T793 WeakPolarHBondContact CA-OG1 3.45Å; K728-N794 WeakPolarHBondContact CD-O 3.38Å; K728-N794 WeakPolarHBondContact CE-O 3.42Å; K728-N794 PolarHBondContact NZ-O 2.96Å; K728-T796 PolarHBondContact N-OG1 3.35Å
729	G	90.6	Very high	92.8	Very high	24 Å²	24	48.7 Å²	48.7	25%	0.247	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-3.3	179.2	0	0	0	0	0	114.3	P727 T793	P727-G729 PolarHBondContact O-N 3.33Å; G729-T793 WeakPolarHBondContact CA-O 3.47Å; G729-T793 PolarHBondContact N-O 3.25Å; G729-T793 PolarHBondContact N-OG1 3.25Å
730	S	93.9	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.			trans	-68.2	141.4	-176.6	-55.9	0	0	0	0	112.4	P727 P792 T793 N815	P727-S730 WeakPolarHBondContact CD-OG 3.4Å; P727-S730 WeakPolarHBondContact O-CB 3.4Å; P727-S730 PolarHBondContact O-N 3Å; P727-S730 PolarHBondContact O-OG 3.28Å; S730-P792 WeakPolarHBondContact O-CA 3.37Å; S730-T793 PolarHBondContact N-OG1 3.32Å; S730-T793 PolarHBondContact O-N 2.86Å; S730-T793 VanDerWaalsContact O-N 3.15Å; S730-N815 WeakPolarHBondContact CA-O 3.24Å
731	V	94.1	Very high	92.9	Very high	5 Å²	5	47 Å²	47	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	163.6	179	-64.8	0	0	0	0	111.3	R694 I733 L790 P792 N815	R694-V731 HydrophobicContact CB-CB 4.07Å; R694-V731 HydrophobicContact CB-CG1 3.78Å; R694-V731 HydrophobicContact CB-CG2 4.22Å; V731-I733 PolarHBondContact O-N 3.39Å; V731-L790 VanDerWaalsContact CA-O 3.3Å; V731-L790 WeakPolarHBondContact CA-O 3.42Å; V731-L790 WeakPolarHBondContact CB-O 3.07Å; V731-P792 HydrophobicContact CG1-CB 3.76Å; V731-N815 HydrophobicContact CG2-CB 3.92Å; V731-N815 PolarHBondContact N-O 3.29Å; V731-N815 PolarHBondContact O-N 2.72Å
732	F	93.6	Very high	92.8	Very high	72 Å²	72	48.5 Å²	48.5	32%	0.316	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.7	54.8	-177.4	-61.8	-76.8	0	0	0	113.3	D691 R692 R694 L790	D691-F732 WeakPolarHBondContact O-CE2 3.1Å; R692-F732 VanDerWaalsContact O-CD2 3.27Å; R692-F732 WeakPolarHBondContact O-CD2 3.42Å; R694-F732 HydrophobicContact CB-CE2 4.18Å; R694-F732 HydrophobicContact CG-CE2 4.36Å; R694-F732 HydrophobicContact CG-CZ 4.47Å; F732-L790 HydrophobicContact CD1-CD2 3.93Å; F732-L790 HydrophobicContact CE1-CD2 3.91Å; F732-L790 PolarHBondContact N-O 2.98Å
733	I	96	Very high	92.8	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.6	174.8	-61.5	160.3	0	0	0	108.7	I726 V731 I735 F775 E788 A789 T793 R813 F814	I726-I733 HydrophobicContact CD1-CD1 4.43Å; I726-I733 HydrophobicContact CD1-CG1 4.42Å; I726-I733 HydrophobicContact CD1-CG2 3.68Å; I726-I733 HydrophobicContact CG2-CD1 3.82Å; I726-I733 HydrophobicContact CG2-CG1 4.1Å; V731-I733 PolarHBondContact O-N 3.39Å; I733-I735 HydrophobicContact CG2-CD1 4.06Å; I733-I735 HydrophobicContact CG2-CG1 4.28Å; I733-F775 HydrophobicContact CD1-CE1 4.45Å; I733-F775 HydrophobicContact CD1-CZ 4.08Å; I733-F775 HydrophobicContact CG2-CE1 4.29Å; I733-E788 CarbonylContact O-C 3.59Å; I733-E788 WeakPolarHBondContact O-CA 3.33Å; I733-A789 HydrophobicContact CB-CB 4.38Å; I733-A789 WeakPolarHBondContact CB-O 3.21Å; I733-A789 HydrophobicContact CD1-CB 4.41Å; I733-A789 PolarHBondContact N-O 2.88Å; I733-A789 PolarHBondContact O-N 2.77Å; I733-T793 HydrophobicContact CD1-CG2 3.64Å; I733-R813 CarbonylContact C-O 3.58Å; I733-R813 WeakPolarHBondContact CA-O 3.31Å; I733-F814 HydrophobicContact CB-CB 4.45Å; I733-F814 HydrophobicContact CG1-CB 3.89Å
734	H	96.7	Very high	92.7	Very high	51 Å²	51	47.2 Å²	47.2	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.8	172.2	-170.9	85.2	0	0	0	108.5	Q736 E788 Y812 R813	H734-Q736 PolarHBondContact NE2-OE1 2.9Å; H734-E788 IonicContact CE1-OE1 3.63Å; H734-E788 PolarHBondContact CE1-OE1 3.25Å; H734-E788 VanDerWaalsContact CE1-OE1 3.23Å; H734-E788 VanDerWaalsContact ND1-CG 3.28Å; H734-E788 WeakPolarHBondContact ND1-CG 3.49Å; H734-E788 IonicContact ND1-OE1 3.46Å; H734-E788 PolarHBondContact ND1-OE1 3.25Å; H734-Y812 CarbonylContact O-C 3.41Å; H734-Y812 WeakPolarHBondContact O-CA 3.4Å; H734-R813 HydrophobicContact CB-CB 4.43Å; H734-R813 PolarHBondContact N-O 3.31Å; H734-R813 PolarHBondContact O-N 3.48Å
735	I	96.7	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.1	176.2	-52.9	149	0	0	0	106.7	I726 I733 L745 T786 L787 V799 I810 H811	I726-I735 HydrophobicContact CD1-CD1 4.14Å; I733-I735 HydrophobicContact CG2-CD1 4.06Å; I733-I735 HydrophobicContact CG2-CG1 4.28Å; I735-L745 HydrophobicContact CG2-CD1 3.97Å; I735-L745 HydrophobicContact CG2-CD2 3.93Å; I735-T786 CarbonylContact O-C 3.58Å; I735-T786 WeakPolarHBondContact O-CA 3.42Å; I735-L787 HydrophobicContact CB-CB 4.3Å; I735-L787 HydrophobicContact CD1-CB 4.2Å; I735-L787 HydrophobicContact CD1-CD2 3.85Å; I735-L787 HydrophobicContact CD1-CG 4.11Å; I735-L787 PolarHBondContact N-O 2.89Å; I735-L787 PolarHBondContact O-N 2.97Å; I735-V799 HydrophobicContact CD1-CB 4.45Å; I735-V799 HydrophobicContact CD1-CG1 4.06Å; I735-V799 HydrophobicContact CD1-CG2 3.5Å; I735-V799 VanDerWaalsContact CD1-CG2 3.5Å; I735-V799 HydrophobicContact CG1-CG2 4.35Å; I735-V799 HydrophobicContact CG2-CG1 4.13Å; I735-I810 HydrophobicContact CG2-CG2 3.89Å; I735-H811 WeakPolarHBondContact CA-O 3.44Å
736	Q	95.2	Very high	92.7	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	135.7	-171.2	171.7	166.1	-7.7	0	0	111.5	H734 P784 E785 T786 I810 H811	H734-Q736 PolarHBondContact NE2-OE1 2.9Å; Q736-P784 HydrophobicContact CG-CB 4.5Å; Q736-P784 HydrophobicContact CG-CG 4.23Å; Q736-E785 WeakPolarHBondContact CA-O 3.28Å; Q736-T786 HydrophobicContact CB-CG2 3.92Å; Q736-T786 HydrophobicContact CG-CG2 3.79Å; Q736-I810 CarbonylContact O-C 3.06Å; Q736-H811 PolarHBondContact N-O 3.15Å; Q736-H811 PolarHBondContact O-N 2.95Å
737	E	93.5	Very high	92.8	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.8	166.2	-51.8	177.3	110.1	0	0	110.7	N739 S741 P784 E785	E737-N739 VanDerWaalsContact CB-O 3.24Å; E737-N739 WeakPolarHBondContact CB-O 3.36Å; E737-S741 WeakPolarHBondContact OE1-CB 3.29Å; E737-S741 PolarHBondContact OE1-OG 2.99Å; E737-P784 HydrophobicContact CB-CB 3.83Å; E737-P784 WeakPolarHBondContact O-CB 3.48Å; E737-P784 WeakPolarHBondContact O-CG 3.2Å; E737-E785 HydrophobicContact CG-CB 4.07Å; E737-E785 PolarHBondContact N-O 3.2Å; E737-E785 VanDerWaalsContact N-O 3.11Å; E737-E785 WeakPolarHBondContact OE2-CB 3.45Å; E737-E785 PolarHBondContact OE2-N 2.95Å
738	L	91.6	Very high	92.8	Very high	88 Å²	88	38.7 Å²	38.7	46%	0.461	19%	0.194	S	C	.	.	S	Bend	trans	-72	-32.9	177	-68.9	-176.2	0	0	0	112.6	V709 G809 H811	V709-L738 HydrophobicContact CG1-CD1 3.74Å; V709-L738 HydrophobicContact CG1-CG 4.41Å; L738-G809 PolarHBondContact N-O 3.01Å; L738-H811 HydrophobicContact CD2-CB 3.93Å
739	N	88	Confident	92.8	Very high	94 Å²	94	32.9 Å²	32.9	50%	0.503	17%	0.169	S	C	.	.	S	Bend	trans	-131.7	163.2	173.1	-61.5	-74.2	0	0	0	109.8	E737 S741 Q808	E737-N739 VanDerWaalsContact CB-O 3.24Å; E737-N739 WeakPolarHBondContact CB-O 3.36Å; N739-S741 PolarHBondContact O-N 2.8Å; N739-Q808 HydrophobicContact CB-CB 4.03Å
740	I	88.9	Confident	92.6	Very high	97 Å²	97	38.9 Å²	38.9	50%	0.497	19%	0.189	S	C	.	.			trans	-63.5	126.9	172.8	-53.4	177.2	0	0	0	108.7
741	S	89.1	Confident	92.3	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	23%	0.225	C	C	.	.			trans	-131.4	170.2	175.5	97.3	0	0	0	0	113.5	E737 N739 N743 R779 E805	E737-S741 WeakPolarHBondContact OE1-CB 3.29Å; E737-S741 PolarHBondContact OE1-OG 2.99Å; N739-S741 PolarHBondContact O-N 2.8Å; S741-N743 VanDerWaalsContact C-N 3.32Å; S741-N743 VanDerWaalsContact OG-CB 3.26Å; S741-N743 WeakPolarHBondContact OG-CB 3.46Å; S741-N743 PolarHBondContact OG-N 3.09Å; S741-N743 PolarHBondContact OG-ND2 3.11Å; S741-R779 PolarHBondContact O-NH2 3.01Å; S741-E805 WeakPolarHBondContact CA-OE1 3.31Å; S741-E805 VanDerWaalsContact CB-OE1 3.23Å; S741-E805 WeakPolarHBondContact CB-OE1 3.2Å
742	L	88.3	Confident	91.9	Very high	102 Å²	102	49.9 Å²	49.9	53%	0.534	25%	0.247	S	C	.	.	S	Bend	trans	-82.7	-6.2	169.6	-63.2	-177.1	0	0	0	113.5	Y744 R804 E805	L742-Y744 WeakPolarHBondContact O-CD2 3.44Å; L742-Y744 WeakPolarHBondContact O-CE2 3.33Å; L742-R804 HydrophobicContact CB-CB 4.11Å; L742-R804 VanDerWaalsContact O-CB 3.23Å; L742-R804 WeakPolarHBondContact O-CB 3.36Å; L742-R804 VanDerWaalsContact O-CG 3.25Å; L742-R804 WeakPolarHBondContact O-CG 3.41Å; L742-E805 HydrophobicContact CB-CG 3.99Å; L742-E805 WeakPolarHBondContact CD1-OE2 3.41Å; L742-E805 VanDerWaalsContact CG-OE2 3.29Å; L742-E805 WeakPolarHBondContact CG-OE2 3.33Å; L742-E805 PolarHBondContact N-OE1 3.06Å
743	N	90.2	Very high	91.8	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.259	C	S	.	.			trans	-73	170.2	176.1	-59.1	-56.7	0	0	0	111.8	S741 R779 V801 R804 E805	S741-N743 VanDerWaalsContact C-N 3.32Å; S741-N743 VanDerWaalsContact OG-CB 3.26Å; S741-N743 WeakPolarHBondContact OG-CB 3.46Å; S741-N743 PolarHBondContact OG-N 3.09Å; S741-N743 PolarHBondContact OG-ND2 3.11Å; N743-R779 PolarHBondContact O-NH2 3.03Å; N743-V801 HydrophobicContact CB-CG2 3.72Å; N743-R804 PolarHBondContact OD1-N 3.17Å; N743-E805 PolarHBondContact ND2-O 3.24Å; N743-E805 PolarHBondContact OD1-N 2.94Å; N743-E805 PolarHBondContact OD1-O 3Å; N743-E805 VanDerWaalsContact OD1-O 3.06Å
744	Y	92.3	Very high	91.6	Very high	38 Å²	38	55.3 Å²	55.3	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.7	177.4	-63.1	-93.2	0	0	0	111.1	L742 V746 I762 V801 L802 R804	L742-Y744 WeakPolarHBondContact O-CD2 3.44Å; L742-Y744 WeakPolarHBondContact O-CE2 3.33Å; Y744-V746 WeakPolarHBondContact O-CG2 3.42Å; Y744-I762 HydrophobicContact CD1-CG1 4.48Å; Y744-I762 HydrophobicContact CD1-CG2 3.9Å; Y744-I762 HydrophobicContact CD2-CD1 4.4Å; Y744-I762 HydrophobicContact CD2-CG1 4.47Å; Y744-I762 HydrophobicContact CE1-CD1 4.17Å; Y744-I762 HydrophobicContact CE1-CG1 4.28Å; Y744-I762 HydrophobicContact CE1-CG2 3.55Å; Y744-I762 HydrophobicContact CE2-CD1 3.79Å; Y744-I762 HydrophobicContact CE2-CG1 4.3Å; Y744-V801 CarbonylContact O-C 3.55Å; Y744-V801 WeakPolarHBondContact O-CA 3.24Å; Y744-L802 HydrophobicContact CD2-CD2 4.48Å; Y744-L802 PolarHBondContact N-O 3.29Å; Y744-L802 PolarHBondContact O-N 2.85Å; Y744-R804 HydrophobicContact CD2-CG 4.21Å; Y744-R804 HydrophobicContact CE2-CG 4.29Å
745	L	94.1	Very high	91.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.3	170.3	-65.9	174.1	0	0	0	110.2	I735 I756 N757 E785 L787 I810	I735-L745 HydrophobicContact CG2-CD1 3.97Å; I735-L745 HydrophobicContact CG2-CD2 3.93Å; L745-I756 WeakPolarHBondContact O-CD1 3.43Å; L745-N757 PolarHBondContact O-ND2 3.43Å; L745-E785 VanDerWaalsContact CB-OE2 3.23Å; L745-E785 WeakPolarHBondContact CB-OE2 3.46Å; L745-E785 HydrophobicContact CD1-CB 4.42Å; L745-E785 HydrophobicContact CD1-CG 4.34Å; L745-E785 WeakPolarHBondContact CG-OE2 3.4Å; L745-E785 PolarHBondContact N-OE2 3.16Å; L745-L787 HydrophobicContact CD1-CB 4.34Å; L745-I810 HydrophobicContact CD2-CD1 3.96Å; L745-I810 HydrophobicContact CD2-CG1 4.47Å; L745-I810 HydrophobicContact CD2-CG2 3.92Å
746	V	94.4	Very high	91.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.9	-170.6	175.9	0	0	0	0	108.1	Y720 Y744 Y754 N757 V799 M800 L802	Y720-V746 HydrophobicContact CD1-CB 4.32Å; Y720-V746 HydrophobicContact CD1-CG1 4.05Å; Y720-V746 HydrophobicContact CD1-CG2 3.84Å; Y720-V746 HydrophobicContact CE1-CB 4.24Å; Y720-V746 HydrophobicContact CE1-CG1 3.82Å; Y720-V746 HydrophobicContact CE1-CG2 3.53Å; Y744-V746 WeakPolarHBondContact O-CG2 3.42Å; V746-Y754 HydrophobicContact CG1-CD1 3.76Å; V746-Y754 HydrophobicContact CG1-CE1 3.83Å; V746-N757 HydrophobicContact CG2-CB 3.74Å; V746-V799 CarbonylContact O-C 3.57Å; V746-V799 WeakPolarHBondContact O-CA 3.43Å; V746-M800 HydrophobicContact CB-CB 4.05Å; V746-M800 HydrophobicContact CG1-CB 4.34Å; V746-M800 HydrophobicContact CG1-CE 3.72Å; V746-M800 PolarHBondContact N-O 2.76Å; V746-M800 PolarHBondContact O-N 3.33Å; V746-L802 HydrophobicContact CG2-CB 3.97Å
747	L	95.3	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.9	179.3	-169.1	71.6	0	0	0	109.7	F755 I756 F768 F775 L787 L797 V799	L747-F755 HydrophobicContact CB-CB 4.49Å; L747-F755 HydrophobicContact CD2-CB 4.39Å; L747-F755 HydrophobicContact CD2-CD2 4.34Å; L747-F755 HydrophobicContact CG-CD2 4.23Å; L747-F755 PolarHBondContact O-N 3.16Å; L747-I756 HydrophobicContact CB-CD1 4.43Å; L747-I756 HydrophobicContact CB-CG1 3.92Å; L747-F768 HydrophobicContact CD2-CE2 4.21Å; L747-F768 HydrophobicContact CD2-CZ 4.22Å; L747-F775 HydrophobicContact CD2-CD1 4.07Å; L747-F775 HydrophobicContact CD2-CD2 4.28Å; L747-F775 HydrophobicContact CD2-CE1 3.99Å; L747-F775 HydrophobicContact CD2-CE2 4.21Å; L747-F775 HydrophobicContact CD2-CG 4.22Å; L747-F775 HydrophobicContact CD2-CZ 4.07Å; L747-L787 HydrophobicContact CB-CD2 4.09Å; L747-L787 HydrophobicContact CD1-CD2 4.18Å; L747-L787 HydrophobicContact CD2-CD2 4.35Å; L747-L787 HydrophobicContact CG-CD2 4.43Å; L747-L797 HydrophobicContact CD1-CB 4.14Å; L747-L797 HydrophobicContact CD1-CD1 4.35Å; L747-L797 HydrophobicContact CD2-CD1 4.41Å; L747-V799 HydrophobicContact CD1-CG2 4.29Å
748	K	93.7	Very high	90.6	Very high	26 Å²	26	51.4 Å²	51.4	11%	0.113	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	162.7	172.1	72.5	175.4	-173	-176.7	0	112.4	D752 Q753 Y754 I798 M800	K748-D752 WeakPolarHBondContact CD-OD1 3.44Å; K748-D752 VanDerWaalsContact CE-OD1 3.29Å; K748-D752 WeakPolarHBondContact CE-OD1 3.39Å; K748-D752 IonicContact NZ-OD1 3.82Å; K748-D752 PolarHBondContact NZ-OD1 2.89Å; K748-Q753 CarbonylContact C-O 3.59Å; K748-Q753 VanDerWaalsContact CA-O 3.27Å; K748-Q753 WeakPolarHBondContact CA-O 3.04Å; K748-Q753 WeakPolarHBondContact CB-O 3.16Å; K748-Y754 HydrophobicContact CB-CD1 4.19Å; K748-Y754 HydrophobicContact CB-CE1 4.49Å; K748-Y754 HydrophobicContact CB-CG 4.34Å; K748-Y754 HydrophobicContact CD-CE1 4.37Å; K748-I798 HydrophobicContact CG-CB 3.92Å; K748-I798 HydrophobicContact CG-CG2 4.44Å; K748-I798 PolarHBondContact N-O 3.33Å; K748-I798 PolarHBondContact O-N 3.16Å; K748-M800 HydrophobicContact CD-CE 3.71Å; K748-M800 HydrophobicContact CD-SD 3.75Å; K748-M800 WeakPolarHBondContact CE-SD 3.45Å; K748-M800 HydrophobicContact CG-CE 4.29Å; K748-M800 HydrophobicContact CG-SD 4.33Å; K748-M800 PolarHBondContact NZ-SD 3.14Å
749	S	92.5	Very high	90.2	Very high	7 Å²	7	55.8 Å²	55.8	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	169.6	166.1	68.3	0	0	0	0	111.2	N751 D752 Q753	S749-N751 PolarHBondContact O-N 2.93Å; S749-N751 VanDerWaalsContact O-N 3.1Å; S749-N751 PolarHBondContact OG-N 2.89Å; S749-D752 PolarHBondContact O-N 3.44Å; S749-Q753 PolarHBondContact N-O 3.07Å; S749-Q753 WeakPolarHBondContact OG-CB 3.4Å; S749-Q753 PolarHBondContact OG-N 2.77Å; S749-Q753 PolarHBondContact OG-O 2.79Å
750	K	86.9	Confident	89.7	Confident	151 Å²	151	56.9 Å²	56.9	66%	0.657	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.5	169.4	-173.4	175.7	176.8	-175	0	113.8
751	N	87.7	Confident	89.5	Confident	143 Å²	143	57.4 Å²	57.4	77%	0.765	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	26.1	-177.4	-58.9	4.7	0	0	0	112.2	S749 Q753	S749-N751 PolarHBondContact O-N 2.93Å; S749-N751 VanDerWaalsContact O-N 3.1Å; S749-N751 PolarHBondContact OG-N 2.89Å; N751-Q753 PolarHBondContact O-N 2.96Å
752	D	85.9	Confident	89.5	Confident	93 Å²	93	61.1 Å²	61.1	50%	0.497	30%	0.299	S	S	.	.	S	Bend	trans	53.9	17.2	-179.7	-64.8	-60	0	0	0	116.6	K748 S749 Y754	K748-D752 WeakPolarHBondContact CD-OD1 3.44Å; K748-D752 VanDerWaalsContact CE-OD1 3.29Å; K748-D752 WeakPolarHBondContact CE-OD1 3.39Å; K748-D752 IonicContact NZ-OD1 3.82Å; K748-D752 PolarHBondContact NZ-OD1 2.89Å; S749-D752 PolarHBondContact O-N 3.44Å; D752-Y754 WeakPolarHBondContact O-CD2 3.01Å; D752-Y754 WeakPolarHBondContact O-CE2 3.31Å; D752-Y754 PolarHBondContact O-N 2.74Å
753	Q	91.5	Very high	89.4	Confident	120 Å²	120	57.9 Å²	57.9	56%	0.561	28%	0.282	S	S	*	.			trans	-73.7	113.3	162.6	-174.8	-177.8	10.4	0	0	109.3	K748 S749 N751 F755	K748-Q753 CarbonylContact C-O 3.59Å; K748-Q753 VanDerWaalsContact CA-O 3.27Å; K748-Q753 WeakPolarHBondContact CA-O 3.04Å; K748-Q753 WeakPolarHBondContact CB-O 3.16Å; S749-Q753 PolarHBondContact N-O 3.07Å; S749-Q753 WeakPolarHBondContact OG-CB 3.4Å; S749-Q753 PolarHBondContact OG-N 2.77Å; S749-Q753 PolarHBondContact OG-O 2.79Å; N751-Q753 PolarHBondContact O-N 2.96Å; Q753-F755 HydrophobicContact CG-CE1 3.97Å; Q753-F755 HydrophobicContact CG-CZ 4.32Å
754	Y	91.6	Very high	89.3	Confident	70 Å²	70	62.8 Å²	62.8	28%	0.275	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	148.7	172.7	-66.8	-99.8	0	0	0	111.6	Y720 V746 K748 D752 M800	Y720-Y754 HydrophobicContact CE1-CE1 4.37Å; V746-Y754 HydrophobicContact CG1-CD1 3.76Å; V746-Y754 HydrophobicContact CG1-CE1 3.83Å; K748-Y754 HydrophobicContact CB-CD1 4.19Å; K748-Y754 HydrophobicContact CB-CE1 4.49Å; K748-Y754 HydrophobicContact CB-CG 4.34Å; K748-Y754 HydrophobicContact CD-CE1 4.37Å; D752-Y754 WeakPolarHBondContact O-CD2 3.01Å; D752-Y754 WeakPolarHBondContact O-CE2 3.31Å; D752-Y754 PolarHBondContact O-N 2.74Å; Y754-M800 HydrophobicContact CE1-CE 3.57Å
755	F	92.3	Very high	89.2	Confident	30 Å²	30	64.6 Å²	64.6	13%	0.132	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-29.4	-179.3	-58.1	-62.5	0	0	0	113.8	L747 Q753 R766 F768 V770 L797	L747-F755 HydrophobicContact CB-CB 4.49Å; L747-F755 HydrophobicContact CD2-CB 4.39Å; L747-F755 HydrophobicContact CD2-CD2 4.34Å; L747-F755 HydrophobicContact CG-CD2 4.23Å; L747-F755 PolarHBondContact O-N 3.16Å; Q753-F755 HydrophobicContact CG-CE1 3.97Å; Q753-F755 HydrophobicContact CG-CZ 4.32Å; F755-R766 PolarHBondContact O-NH2 3.12Å; F755-F768 HydrophobicContact CB-CE2 4.12Å; F755-V770 HydrophobicContact CB-CG1 4.47Å; F755-V770 HydrophobicContact CB-CG2 4.18Å; F755-V770 HydrophobicContact CD1-CB 4.43Å; F755-V770 HydrophobicContact CD1-CG1 3.93Å; F755-V770 HydrophobicContact CD1-CG2 3.51Å; F755-V770 HydrophobicContact CD2-CG1 3.69Å; F755-V770 HydrophobicContact CE1-CG1 3.99Å; F755-V770 HydrophobicContact CE1-CG2 3.99Å; F755-V770 HydrophobicContact CE2-CG1 3.75Å; F755-V770 HydrophobicContact CG-CB 4.49Å; F755-V770 HydrophobicContact CG-CG1 3.77Å; F755-V770 HydrophobicContact CG-CG2 3.87Å; F755-V770 HydrophobicContact CZ-CG1 3.91Å; F755-L797 HydrophobicContact CD2-CD2 4.17Å; F755-L797 HydrophobicContact CE2-CD2 3.64Å
756	I	93.2	Very high	89	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.5	164.5	65.4	174.1	0	0	0	110.1	L745 L747 G758 D763 F768 Y777 L787	L745-I756 WeakPolarHBondContact O-CD1 3.43Å; L747-I756 HydrophobicContact CB-CD1 4.43Å; L747-I756 HydrophobicContact CB-CG1 3.92Å; I756-G758 PolarHBondContact O-N 3.5Å; I756-G758 VanDerWaalsContact O-N 3.07Å; I756-D763 VanDerWaalsContact CA-OD2 3.28Å; I756-D763 WeakPolarHBondContact CA-OD2 3.29Å; I756-D763 HydrophobicContact CB-CB 4.32Å; I756-F768 HydrophobicContact CG2-CD1 4.37Å; I756-F768 HydrophobicContact CG2-CE1 3.56Å; I756-F768 HydrophobicContact CG2-CE2 4.27Å; I756-F768 HydrophobicContact CG2-CZ 3.5Å; I756-Y777 HydrophobicContact CD1-CD2 3.7Å; I756-Y777 HydrophobicContact CD1-CE2 3.99Å; I756-Y777 HydrophobicContact CD1-CG 4.05Å; I756-Y777 HydrophobicContact CG2-CD1 4.45Å; I756-L787 HydrophobicContact CD1-CD1 4.19Å; I756-L787 HydrophobicContact CD1-CD2 4.02Å
757	N	90	Very high	88.6	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.366	C	S	.	.	S	Bend	trans	56.9	25.5	165.2	-65.1	-28	0	0	0	115.6	Y720 L745 V746 N761 D763 Y777	Y720-N757 WeakPolarHBondContact CE1-O 3.34Å; Y720-N757 PolarHBondContact OH-O 3.29Å; L745-N757 PolarHBondContact O-ND2 3.43Å; V746-N757 HydrophobicContact CG2-CB 3.74Å; N757-N761 CarbonylContact C-O 3.41Å; N757-N761 VanDerWaalsContact CA-O 3.28Å; N757-N761 WeakPolarHBondContact CA-O 3.14Å; N757-D763 PolarHBondContact N-OD2 3.41Å; N757-D763 PolarHBondContact OD1-N 3.09Å; N757-Y777 PolarHBondContact ND2-OH 3.02Å; N757-Y777 PolarHBondContact OD1-OH 3.26Å
758	G	85.8	Confident	88.3	Confident	12 Å²	12	75.4 Å²	75.4	12%	0.124	37%	0.37	C	S	.	.			trans	-89	154.3	-177.4	0	0	0	0	0	114.3	I756 L760 N761	I756-G758 PolarHBondContact O-N 3.5Å; I756-G758 VanDerWaalsContact O-N 3.07Å; G758-L760 VanDerWaalsContact C-N 3.32Å; G758-L760 PolarHBondContact O-N 2.03Å; G758-N761 PolarHBondContact O-N 2.69Å
759	K	81.7	Confident	88.1	Confident	180 Å²	180	78.8 Å²	78.8	78%	0.783	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	40.4	176.4	-53.4	-178.4	178.3	-176.5	0	113.8	Y720 N761	Y720-K759 PolarHBondContact OH-N 2.74Å; K759-N761 PolarHBondContact O-N 2.87Å; K759-N761 VanDerWaalsContact O-N 3.11Å
760	L	78.4	Confident	87.9	Confident	118 Å²	118	79.4 Å²	79.4	62%	0.618	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	13.3	-177.4	-52.4	177.1	0	0	0	115.2	G718 Y720 G758 L802	G718-L760 WeakPolarHBondContact O-CD2 3.47Å; Y720-L760 HydrophobicContact CE2-CD2 4.07Å; Y720-L760 PolarHBondContact OH-N 3.28Å; G758-L760 VanDerWaalsContact C-N 3.32Å; G758-L760 PolarHBondContact O-N 2.03Å; L760-L802 HydrophobicContact CD2-CD1 3.73Å
761	N	85.3	Confident	87.9	Confident	107 Å²	107	72.6 Å²	72.6	57%	0.572	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-97.8	131	172.7	-179.4	64.2	0	0	0	110.2	N757 G758 K759	N757-N761 CarbonylContact C-O 3.41Å; N757-N761 VanDerWaalsContact CA-O 3.28Å; N757-N761 WeakPolarHBondContact CA-O 3.14Å; G758-N761 PolarHBondContact O-N 2.69Å; K759-N761 PolarHBondContact O-N 2.87Å; K759-N761 VanDerWaalsContact O-N 3.11Å
762	I	88.1	Confident	87.7	Confident	84 Å²	84	68.5 Å²	68.5	43%	0.431	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-92.8	125	-178.4	-62.4	161.9	0	0	0	109.6	Y744	Y744-I762 HydrophobicContact CD1-CG1 4.48Å; Y744-I762 HydrophobicContact CD1-CG2 3.9Å; Y744-I762 HydrophobicContact CD2-CD1 4.4Å; Y744-I762 HydrophobicContact CD2-CG1 4.47Å; Y744-I762 HydrophobicContact CE1-CD1 4.17Å; Y744-I762 HydrophobicContact CE1-CG1 4.28Å; Y744-I762 HydrophobicContact CE1-CG2 3.55Å; Y744-I762 HydrophobicContact CE2-CD1 3.79Å; Y744-I762 HydrophobicContact CE2-CG1 4.3Å
763	D	87.4	Confident	87.9	Confident	34 Å²	34	64.8 Å²	64.8	18%	0.182	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-79	147	174.8	-93	-87.7	0	0	0	111.8	I756 N757 R766 Y777	I756-D763 VanDerWaalsContact CA-OD2 3.28Å; I756-D763 WeakPolarHBondContact CA-OD2 3.29Å; I756-D763 HydrophobicContact CB-CB 4.32Å; N757-D763 PolarHBondContact N-OD2 3.41Å; N757-D763 PolarHBondContact OD1-N 3.09Å; D763-R766 IonicContact OD1-CZ 3.41Å; D763-R766 IonicContact OD1-NE 2.85Å; D763-R766 PolarHBondContact OD1-NE 3Å; D763-R766 IonicContact OD1-NH2 2.74Å; D763-R766 PolarHBondContact OD1-NH2 2.03Å; D763-R766 IonicContact OD2-NH2 3.62Å; D763-Y777 HydrophobicContact CB-CE1 3.99Å; D763-Y777 WeakPolarHBondContact O-CE1 3.42Å; D763-Y777 PolarHBondContact O-OH 3.5Å
764	T	86.8	Confident	87.8	Confident	106 Å²	106	63.1 Å²	63.1	65%	0.65	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-79.5	147.5	168.7	49.7	0	0	0	0	111.4	R766	T764-R766 WeakPolarHBondContact O-CG 3.04Å; T764-R766 PolarHBondContact O-N 3.42Å
765	P	90.6	Very high	87.9	Confident	76 Å²	76	59.8 Å²	59.8	49%	0.494	33%	0.325	S	S	.	.	S	Bend	trans	-50.7	123	175.7	-32.5	38.8	0	0	0	113.3	Y777 R779	P765-Y777 CarbonylContact C-O 3.58Å; P765-Y777 WeakPolarHBondContact CA-O 3.48Å; P765-R779 HydrophobicContact CG-CB 4.05Å
766	R	89.7	Confident	87.9	Confident	85 Å²	85	61.1 Å²	61.1	32%	0.321	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	156.1	-172.9	61.5	-169.7	175.1	78.7	0.1	113.3	F755 D763 T764 F768 Y777	F755-R766 PolarHBondContact O-NH2 3.12Å; D763-R766 IonicContact OD1-CZ 3.41Å; D763-R766 IonicContact OD1-NE 2.85Å; D763-R766 PolarHBondContact OD1-NE 3Å; D763-R766 IonicContact OD1-NH2 2.74Å; D763-R766 PolarHBondContact OD1-NH2 2.03Å; D763-R766 IonicContact OD2-NH2 3.62Å; T764-R766 WeakPolarHBondContact O-CG 3.04Å; T764-R766 PolarHBondContact O-N 3.42Å; R766-F768 HydrophobicContact CG-CD1 4.2Å; R766-F768 VanDerWaalsContact NH1-CB 3.3Å; R766-Y777 PolarHBondContact N-O 3.34Å; R766-Y777 VanDerWaalsContact N-O 3.08Å; R766-Y777 PolarHBondContact O-N 3.28Å
767	R	85.9	Confident	88	Confident	124 Å²	124	61.1 Å²	61.1	47%	0.468	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.3	161.4	-65.6	-176.8	75.5	177.3	3	109	D665 I774 F775 H776	D665-R767 IonicContact OD1-CZ 2.66Å; D665-R767 IonicContact OD1-NH1 3.17Å; D665-R767 PolarHBondContact OD1-NH1 2.84Å; D665-R767 IonicContact OD1-NH2 3.69Å; D665-R767 PolarHBondContact OD1-NH2 2.86Å; D665-R767 IonicContact OD2-CZ 2.78Å; D665-R767 IonicContact OD2-NH1 3.13Å; D665-R767 PolarHBondContact OD2-NH1 3.35Å; D665-R767 IonicContact OD2-NH2 3.89Å; R767-I774 HydrophobicContact CB-CG2 4.25Å; R767-F775 CarbonylContact C-O 3.6Å; R767-F775 VanDerWaalsContact CA-O 3.26Å; R767-F775 WeakPolarHBondContact CA-O 3.31Å; R767-H776 HydrophobicContact CG-CB 4.29Å
768	F	90.5	Very high	88.2	Confident	18 Å²	18	65.6 Å²	65.6	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.9	-177.9	61.9	-84	0	0	0	112.6	L747 F755 I756 R766 V770 I774 F775 L787	L747-F768 HydrophobicContact CD2-CE2 4.21Å; L747-F768 HydrophobicContact CD2-CZ 4.22Å; F755-F768 HydrophobicContact CB-CE2 4.12Å; I756-F768 HydrophobicContact CG2-CD1 4.37Å; I756-F768 HydrophobicContact CG2-CE1 3.56Å; I756-F768 HydrophobicContact CG2-CE2 4.27Å; I756-F768 HydrophobicContact CG2-CZ 3.5Å; R766-F768 HydrophobicContact CG-CD1 4.2Å; R766-F768 VanDerWaalsContact NH1-CB 3.3Å; F768-V770 HydrophobicContact CD2-CB 4.04Å; F768-V770 HydrophobicContact CD2-CG2 3.66Å; F768-V770 HydrophobicContact CE2-CB 4.09Å; F768-V770 HydrophobicContact CE2-CG2 3.95Å; F768-I774 CarbonylContact O-C 3.33Å; F768-I774 WeakPolarHBondContact O-CA 3.47Å; F768-F775 HydrophobicContact CD1-CB 4.09Å; F768-F775 HydrophobicContact CD2-CB 4.1Å; F768-F775 HydrophobicContact CE1-CB 3.62Å; F768-F775 HydrophobicContact CE2-CB 3.63Å; F768-F775 HydrophobicContact CE2-CD2 4.32Å; F768-F775 HydrophobicContact CE2-CG 4.11Å; F768-F775 HydrophobicContact CG-CB 4.31Å; F768-F775 HydrophobicContact CZ-CB 3.37Å; F768-F775 HydrophobicContact CZ-CG 4.02Å; F768-F775 PolarHBondContact N-O 2.03Å; F768-F775 PolarHBondContact O-N 2.81Å; F768-L787 HydrophobicContact CE1-CD1 4.28Å; F768-L787 HydrophobicContact CZ-CD1 4.15Å
769	S	87.6	Confident	88.4	Confident	97 Å²	97	68.3 Å²	68.3	68%	0.678	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.4	-178	-172.5	0	0	0	0	110.8	T773	S769-T773 WeakPolarHBondContact CA-O 3.32Å
770	V	88.7	Confident	88.7	Confident	20 Å²	20	62.4 Å²	62.4	12%	0.121	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.5	-176.6	156.7	0	0	0	0	109.2	F755 F768 G772 T773 F775 L797	F755-V770 HydrophobicContact CB-CG1 4.47Å; F755-V770 HydrophobicContact CB-CG2 4.18Å; F755-V770 HydrophobicContact CD1-CB 4.43Å; F755-V770 HydrophobicContact CD1-CG1 3.93Å; F755-V770 HydrophobicContact CD1-CG2 3.51Å; F755-V770 HydrophobicContact CD2-CG1 3.69Å; F755-V770 HydrophobicContact CE1-CG1 3.99Å; F755-V770 HydrophobicContact CE1-CG2 3.99Å; F755-V770 HydrophobicContact CE2-CG1 3.75Å; F755-V770 HydrophobicContact CG-CB 4.49Å; F755-V770 HydrophobicContact CG-CG1 3.77Å; F755-V770 HydrophobicContact CG-CG2 3.87Å; F755-V770 HydrophobicContact CZ-CG1 3.91Å; F768-V770 HydrophobicContact CD2-CB 4.04Å; F768-V770 HydrophobicContact CD2-CG2 3.66Å; F768-V770 HydrophobicContact CE2-CB 4.09Å; F768-V770 HydrophobicContact CE2-CG2 3.95Å; V770-G772 PolarHBondContact O-N 2.92Å; V770-T773 PolarHBondContact N-O 3.31Å; V770-T773 PolarHBondContact O-N 3.36Å; V770-F775 HydrophobicContact CB-CD2 4.27Å; V770-F775 HydrophobicContact CG1-CD2 4.48Å; V770-F775 HydrophobicContact CG1-CE2 4.44Å; V770-L797 HydrophobicContact CG1-CD2 4.34Å
771	A	88.1	Confident	88.9	Confident	7 Å²	7	63.7 Å²	63.7	6%	0.058	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	28.5	179.9	0	0	0	0	0	114.6	T773 T793 N794 M795 L797	A771-T773 VanDerWaalsContact C-N 3.31Å; A771-T773 PolarHBondContact O-N 2.74Å; A771-T793 HydrophobicContact CB-CG2 4.44Å; A771-T793 CarbonylContact O-C 3.54Å; A771-T793 WeakPolarHBondContact O-CA 3.13Å; A771-N794 VanDerWaalsContact CA-OD1 3.25Å; A771-N794 WeakPolarHBondContact CA-OD1 2.97Å; A771-N794 VanDerWaalsContact O-CG 3.3Å; A771-N794 PolarHBondContact O-N 3.12Å; A771-N794 PolarHBondContact O-OD1 3.27Å; A771-M795 HydrophobicContact CB-CG 3.57Å; A771-M795 HydrophobicContact CB-SD 4.25Å; A771-L797 HydrophobicContact CB-CD1 3.88Å; A771-L797 HydrophobicContact CB-CD2 4.19Å; A771-L797 HydrophobicContact CB-CG 4.21Å
772	G	83.4	Confident	89	Confident	58 Å²	58	65 Å²	65	60%	0.598	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	7.8	-179.4	0	0	0	0	0	115.4	V770	V770-G772 PolarHBondContact O-N 2.92Å
773	T	89.2	Confident	89	Confident	15 Å²	15	61.7 Å²	61.7	9%	0.092	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	168.4	175.5	-164.8	0	0	0	0	110.9	S769 V770 A771 F775 A789 G791 T793	S769-T773 WeakPolarHBondContact CA-O 3.32Å; V770-T773 PolarHBondContact N-O 3.31Å; V770-T773 PolarHBondContact O-N 3.36Å; A771-T773 VanDerWaalsContact C-N 3.31Å; A771-T773 PolarHBondContact O-N 2.74Å; T773-F775 HydrophobicContact CG2-CD2 4.01Å; T773-F775 HydrophobicContact CG2-CE2 3.59Å; T773-F775 HydrophobicContact CG2-CZ 4.3Å; T773-A789 HydrophobicContact CG2-CB 3.83Å; T773-G791 WeakPolarHBondContact OG1-CA 3.35Å; T773-G791 PolarHBondContact OG1-N 3.31Å; T773-T793 HydrophobicContact CG2-CG2 4.44Å
774	I	89.1	Confident	89.1	Confident	84 Å²	84	61.5 Å²	61.5	43%	0.431	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118	175.4	-61.5	173.8	0	0	0	108	R767 F768	R767-I774 HydrophobicContact CB-CG2 4.25Å; F768-I774 CarbonylContact O-C 3.33Å; F768-I774 WeakPolarHBondContact O-CA 3.47Å
775	F	93.6	Very high	89.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	147.3	167.7	-79.9	-91.2	0	0	0	110.9	I733 L747 R767 F768 V770 T773 L787 E788 A789 L797	I733-F775 HydrophobicContact CD1-CE1 4.45Å; I733-F775 HydrophobicContact CD1-CZ 4.08Å; I733-F775 HydrophobicContact CG2-CE1 4.29Å; L747-F775 HydrophobicContact CD2-CD1 4.07Å; L747-F775 HydrophobicContact CD2-CD2 4.28Å; L747-F775 HydrophobicContact CD2-CE1 3.99Å; L747-F775 HydrophobicContact CD2-CE2 4.21Å; L747-F775 HydrophobicContact CD2-CG 4.22Å; L747-F775 HydrophobicContact CD2-CZ 4.07Å; R767-F775 CarbonylContact C-O 3.6Å; R767-F775 VanDerWaalsContact CA-O 3.26Å; R767-F775 WeakPolarHBondContact CA-O 3.31Å; F768-F775 HydrophobicContact CD1-CB 4.09Å; F768-F775 HydrophobicContact CD2-CB 4.1Å; F768-F775 HydrophobicContact CE1-CB 3.62Å; F768-F775 HydrophobicContact CE2-CB 3.63Å; F768-F775 HydrophobicContact CE2-CD2 4.32Å; F768-F775 HydrophobicContact CE2-CG 4.11Å; F768-F775 HydrophobicContact CG-CB 4.31Å; F768-F775 HydrophobicContact CZ-CB 3.37Å; F768-F775 HydrophobicContact CZ-CG 4.02Å; F768-F775 PolarHBondContact N-O 2.03Å; F768-F775 PolarHBondContact O-N 2.81Å; V770-F775 HydrophobicContact CB-CD2 4.27Å; V770-F775 HydrophobicContact CG1-CD2 4.48Å; V770-F775 HydrophobicContact CG1-CE2 4.44Å; T773-F775 HydrophobicContact CG2-CD2 4.01Å; T773-F775 HydrophobicContact CG2-CE2 3.59Å; T773-F775 HydrophobicContact CG2-CZ 4.3Å; F775-L787 HydrophobicContact CB-CD1 4.22Å; F775-L787 HydrophobicContact CD1-CD1 3.74Å; F775-L787 HydrophobicContact CD1-CG 4Å; F775-L787 HydrophobicContact CE1-CG 4.5Å; F775-L787 HydrophobicContact CG-CD1 4.39Å; F775-E788 CarbonylContact C-O 3.6Å; F775-E788 VanDerWaalsContact CA-O 3.27Å; F775-E788 WeakPolarHBondContact CA-O 3.07Å; F775-A789 HydrophobicContact CD1-CB 3.61Å; F775-A789 HydrophobicContact CD2-CB 4.07Å; F775-A789 HydrophobicContact CE1-CB 3.58Å; F775-A789 HydrophobicContact CE2-CB 4.04Å; F775-A789 HydrophobicContact CG-CB 3.86Å; F775-A789 HydrophobicContact CZ-CB 3.79Å; F775-L797 HydrophobicContact CE2-CD1 3.69Å; F775-L797 HydrophobicContact CZ-CD1 3.43Å; F775-L797 VanDerWaalsContact CZ-CD1 3.43Å
776	H	94	Very high	89.7	Confident	58 Å²	58	53.5 Å²	53.5	27%	0.269	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.5	173.7	-171.1	-167.6	0	0	0	108	R767 R778 L787 E788	R767-H776 HydrophobicContact CG-CB 4.29Å; H776-R778 PolarHBondContact CE1-NH1 2.98Å; H776-L787 WeakPolarHBondContact O-CA 3.29Å; H776-E788 PolarHBondContact N-O 2.82Å; H776-E788 PolarHBondContact O-N 3.4Å
777	Y	94.9	Very high	90	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.9	177.5	164.3	-119.7	0	0	0	108.8	I756 N757 D763 P765 R766 E785 T786	I756-Y777 HydrophobicContact CD1-CD2 3.7Å; I756-Y777 HydrophobicContact CD1-CE2 3.99Å; I756-Y777 HydrophobicContact CD1-CG 4.05Å; I756-Y777 HydrophobicContact CG2-CD1 4.45Å; N757-Y777 PolarHBondContact ND2-OH 3.02Å; N757-Y777 PolarHBondContact OD1-OH 3.26Å; D763-Y777 HydrophobicContact CB-CE1 3.99Å; D763-Y777 WeakPolarHBondContact O-CE1 3.42Å; D763-Y777 PolarHBondContact O-OH 3.5Å; P765-Y777 CarbonylContact C-O 3.58Å; P765-Y777 WeakPolarHBondContact CA-O 3.48Å; R766-Y777 PolarHBondContact N-O 3.34Å; R766-Y777 VanDerWaalsContact N-O 3.08Å; R766-Y777 PolarHBondContact O-N 3.28Å; Y777-E785 HydrophobicContact CD2-CG 4.46Å; Y777-E785 HydrophobicContact CE2-CG 3.87Å; Y777-E785 PolarHBondContact OH-OE1 3.11Å; Y777-T786 WeakPolarHBondContact CA-O 3.5Å
778	R	93.4	Very high	90.5	Very high	94 Å²	94	45.6 Å²	45.6	36%	0.355	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.2	-178.8	-56.7	-178.5	-77.4	-142.2	-4	110.8	H776 E785 T786 E788	H776-R778 PolarHBondContact CE1-NH1 2.98Å; R778-E785 WeakPolarHBondContact O-CA 3.02Å; R778-E785 WeakPolarHBondContact O-CG 3.33Å; R778-T786 WeakPolarHBondContact CB-OG1 3.28Å; R778-T786 PolarHBondContact N-O 2.61Å; R778-T786 PolarHBondContact NE-OG1 2.83Å; R778-T786 PolarHBondContact O-N 3.48Å; R778-E788 IonicContact CZ-OE1 2.68Å; R778-E788 IonicContact CZ-OE2 3.49Å; R778-E788 IonicContact NH2-OE1 2.87Å; R778-E788 PolarHBondContact NH2-OE1 3.36Å; R778-E788 IonicContact NH2-OE2 3.94Å; R778-E788 PolarHBondContact NH2-OE2 3.05Å
779	R	90.8	Very high	90.7	Very high	69 Å²	69	45.1 Å²	45.1	26%	0.26	26%	0.263	S	S	.	.			trans	-133.1	81.3	172.1	-159.6	-179.2	-148.8	-80.5	-3.3	108.4	S741 N743 P765 E785	S741-R779 PolarHBondContact O-NH2 3.01Å; N743-R779 PolarHBondContact O-NH2 3.03Å; P765-R779 HydrophobicContact CG-CB 4.05Å; R779-E785 HydrophobicContact CB-CG 4.06Å; R779-E785 WeakPolarHBondContact CD-OE1 3.48Å; R779-E785 HydrophobicContact CG-CB 4.23Å; R779-E785 HydrophobicContact CG-CG 3.93Å; R779-E785 WeakPolarHBondContact CG-OE1 3.25Å; R779-E785 IonicContact CZ-OE1 3.87Å; R779-E785 IonicContact NE-OE1 3.19Å; R779-E785 PolarHBondContact NE-OE1 2.98Å
780	P	87.8	Confident	90.8	Very high	56 Å²	56	45.1 Å²	45.1	36%	0.364	26%	0.255	S	S	.	.			trans	-67.9	160.6	178	28.8	-30.8	0	0	0	110.7	D782 P784	P780-D782 VanDerWaalsContact C-N 3.27Å; P780-D782 PolarHBondContact O-N 2.77Å; P780-P784 WeakPolarHBondContact CD-O 2.99Å
781	T	82.9	Confident	90.8	Very high	144 Å²	144	44.3 Å²	44.3	88%	0.883	25%	0.251	S	S	*	.	S	Bend	trans	-77	-16.3	-179.2	42.3	0	0	0	0	113.8
782	D	86.8	Confident	91	Very high	135 Å²	135	47.3 Å²	47.3	72%	0.722	27%	0.27	S	S	*	.	S	Bend	trans	-129	15.6	-167.8	57.6	-39.2	0	0	0	112.3	P780	P780-D782 VanDerWaalsContact C-N 3.27Å; P780-D782 PolarHBondContact O-N 2.77Å
783	G	87.3	Confident	91.4	Very high	14 Å²	14	44.8 Å²	44.8	14%	0.144	24%	0.242	C	C	.	.	S	Bend	trans	-160.5	168.8	179	0	0	0	0	0	113.2
784	P	91.1	Very high	91.5	Very high	31 Å²	31	48 Å²	48	20%	0.201	26%	0.259	C	S	.	.			trans	-67	158.6	-175.8	26.5	-34.6	0	0	0	113.1	Q736 E737 P780	Q736-P784 HydrophobicContact CG-CB 4.5Å; Q736-P784 HydrophobicContact CG-CG 4.23Å; E737-P784 HydrophobicContact CB-CB 3.83Å; E737-P784 WeakPolarHBondContact O-CB 3.48Å; E737-P784 WeakPolarHBondContact O-CG 3.2Å; P780-P784 WeakPolarHBondContact CD-O 2.99Å
785	E	94.4	Very high	91.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.256	C	S	.	.			trans	-68.7	141.3	172.2	-159.4	175.9	-107.9	0	0	111.6	Q736 E737 L745 Y777 R778 R779	Q736-E785 WeakPolarHBondContact CA-O 3.28Å; E737-E785 HydrophobicContact CG-CB 4.07Å; E737-E785 PolarHBondContact N-O 3.2Å; E737-E785 VanDerWaalsContact N-O 3.11Å; E737-E785 WeakPolarHBondContact OE2-CB 3.45Å; E737-E785 PolarHBondContact OE2-N 2.95Å; L745-E785 VanDerWaalsContact CB-OE2 3.23Å; L745-E785 WeakPolarHBondContact CB-OE2 3.46Å; L745-E785 HydrophobicContact CD1-CB 4.42Å; L745-E785 HydrophobicContact CD1-CG 4.34Å; L745-E785 WeakPolarHBondContact CG-OE2 3.4Å; L745-E785 PolarHBondContact N-OE2 3.16Å; Y777-E785 HydrophobicContact CD2-CG 4.46Å; Y777-E785 HydrophobicContact CE2-CG 3.87Å; Y777-E785 PolarHBondContact OH-OE1 3.11Å; R778-E785 WeakPolarHBondContact O-CA 3.02Å; R778-E785 WeakPolarHBondContact O-CG 3.33Å; R779-E785 HydrophobicContact CB-CG 4.06Å; R779-E785 WeakPolarHBondContact CD-OE1 3.48Å; R779-E785 HydrophobicContact CG-CB 4.23Å; R779-E785 HydrophobicContact CG-CG 3.93Å; R779-E785 WeakPolarHBondContact CG-OE1 3.25Å; R779-E785 IonicContact CZ-OE1 3.87Å; R779-E785 IonicContact NE-OE1 3.19Å; R779-E785 PolarHBondContact NE-OE1 2.98Å
786	T	95.3	Very high	91.5	Very high	12 Å²	12	50 Å²	50	7%	0.074	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.6	-177.9	50.8	0	0	0	0	112.6	I735 Q736 Y777 R778	I735-T786 CarbonylContact O-C 3.58Å; I735-T786 WeakPolarHBondContact O-CA 3.42Å; Q736-T786 HydrophobicContact CB-CG2 3.92Å; Q736-T786 HydrophobicContact CG-CG2 3.79Å; Y777-T786 WeakPolarHBondContact CA-O 3.5Å; R778-T786 WeakPolarHBondContact CB-OG1 3.28Å; R778-T786 PolarHBondContact N-O 2.61Å; R778-T786 PolarHBondContact NE-OG1 2.83Å; R778-T786 PolarHBondContact O-N 3.48Å
787	L	96.1	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	111.5	176	179.8	64.2	0	0	0	110.5	I735 L745 L747 I756 F768 F775 H776	I735-L787 HydrophobicContact CB-CB 4.3Å; I735-L787 HydrophobicContact CD1-CB 4.2Å; I735-L787 HydrophobicContact CD1-CD2 3.85Å; I735-L787 HydrophobicContact CD1-CG 4.11Å; I735-L787 PolarHBondContact N-O 2.89Å; I735-L787 PolarHBondContact O-N 2.97Å; L745-L787 HydrophobicContact CD1-CB 4.34Å; L747-L787 HydrophobicContact CB-CD2 4.09Å; L747-L787 HydrophobicContact CD1-CD2 4.18Å; L747-L787 HydrophobicContact CD2-CD2 4.35Å; L747-L787 HydrophobicContact CG-CD2 4.43Å; I756-L787 HydrophobicContact CD1-CD1 4.19Å; I756-L787 HydrophobicContact CD1-CD2 4.02Å; F768-L787 HydrophobicContact CE1-CD1 4.28Å; F768-L787 HydrophobicContact CZ-CD1 4.15Å; F775-L787 HydrophobicContact CB-CD1 4.22Å; F775-L787 HydrophobicContact CD1-CD1 3.74Å; F775-L787 HydrophobicContact CD1-CG 4Å; F775-L787 HydrophobicContact CE1-CG 4.5Å; F775-L787 HydrophobicContact CG-CD1 4.39Å; H776-L787 WeakPolarHBondContact O-CA 3.29Å
788	E	95.6	Very high	91.6	Very high	44 Å²	44	47.5 Å²	47.5	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.9	-170.2	-82.5	156.1	-132.3	0	0	113.1	I733 H734 F775 H776 R778	I733-E788 CarbonylContact O-C 3.59Å; I733-E788 WeakPolarHBondContact O-CA 3.33Å; H734-E788 IonicContact CE1-OE1 3.63Å; H734-E788 PolarHBondContact CE1-OE1 3.25Å; H734-E788 VanDerWaalsContact CE1-OE1 3.23Å; H734-E788 VanDerWaalsContact ND1-CG 3.28Å; H734-E788 WeakPolarHBondContact ND1-CG 3.49Å; H734-E788 IonicContact ND1-OE1 3.46Å; H734-E788 PolarHBondContact ND1-OE1 3.25Å; F775-E788 CarbonylContact C-O 3.6Å; F775-E788 VanDerWaalsContact CA-O 3.27Å; F775-E788 WeakPolarHBondContact CA-O 3.07Å; H776-E788 PolarHBondContact N-O 2.82Å; H776-E788 PolarHBondContact O-N 3.4Å; R778-E788 IonicContact CZ-OE1 2.68Å; R778-E788 IonicContact CZ-OE2 3.49Å; R778-E788 IonicContact NH2-OE1 2.87Å; R778-E788 PolarHBondContact NH2-OE1 3.36Å; R778-E788 IonicContact NH2-OE2 3.94Å; R778-E788 PolarHBondContact NH2-OE2 3.05Å
789	A	93.9	Very high	91.6	Very high	7 Å²	7	43 Å²	43	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	139.3	169.1	0	0	0	0	0	113	I733 T773 F775	I733-A789 HydrophobicContact CB-CB 4.38Å; I733-A789 WeakPolarHBondContact CB-O 3.21Å; I733-A789 HydrophobicContact CD1-CB 4.41Å; I733-A789 PolarHBondContact N-O 2.88Å; I733-A789 PolarHBondContact O-N 2.77Å; T773-A789 HydrophobicContact CG2-CB 3.83Å; F775-A789 HydrophobicContact CD1-CB 3.61Å; F775-A789 HydrophobicContact CD2-CB 4.07Å; F775-A789 HydrophobicContact CE1-CB 3.58Å; F775-A789 HydrophobicContact CE2-CB 4.04Å; F775-A789 HydrophobicContact CG-CB 3.86Å; F775-A789 HydrophobicContact CZ-CB 3.79Å
790	L	91	Very high	91.7	Very high	97 Å²	97	40.1 Å²	40.1	51%	0.508	23%	0.232	S	C	.	.			trans	-74	-25.7	179.4	-64.7	177.5	0	0	0	113.8	V731 F732	V731-L790 VanDerWaalsContact CA-O 3.3Å; V731-L790 WeakPolarHBondContact CA-O 3.42Å; V731-L790 WeakPolarHBondContact CB-O 3.07Å; F732-L790 HydrophobicContact CD1-CD2 3.93Å; F732-L790 HydrophobicContact CE1-CD2 3.91Å; F732-L790 PolarHBondContact N-O 2.98Å
791	G	88.1	Confident	92	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	22%	0.215	C	C	.	.			trans	70.5	-167.6	-174.9	0	0	0	0	0	114	R694 T773	R694-G791 PolarHBondContact NH1-O 3.05Å; T773-G791 WeakPolarHBondContact OG1-CA 3.35Å; T773-G791 PolarHBondContact OG1-N 3.31Å
792	P	91.8	Very high	92.4	Very high	71 Å²	71	30.9 Å²	30.9	46%	0.461	18%	0.175	S	C	.	.			cis	-74	148.4	-1	30.1	-35.4	0	0	0	113.1	S730 V731	S730-P792 WeakPolarHBondContact O-CA 3.37Å; V731-P792 HydrophobicContact CG1-CB 3.76Å
793	T	92.4	Very high	92.5	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.025	14%	0.141	C	C	.	.			trans	-76.4	140.5	174.3	56.6	0	0	0	0	112.4	P727 K728 G729 S730 I733 A771 T773 M795 L797	P727-T793 PolarHBondContact O-OG1 2.77Å; K728-T793 WeakPolarHBondContact CA-OG1 3.45Å; G729-T793 WeakPolarHBondContact CA-O 3.47Å; G729-T793 PolarHBondContact N-O 3.25Å; G729-T793 PolarHBondContact N-OG1 3.25Å; S730-T793 PolarHBondContact N-OG1 3.32Å; S730-T793 PolarHBondContact O-N 2.86Å; S730-T793 VanDerWaalsContact O-N 3.15Å; I733-T793 HydrophobicContact CD1-CG2 3.64Å; A771-T793 HydrophobicContact CB-CG2 4.44Å; A771-T793 CarbonylContact O-C 3.54Å; A771-T793 WeakPolarHBondContact O-CA 3.13Å; T773-T793 HydrophobicContact CG2-CG2 4.44Å; T793-M795 WeakPolarHBondContact CB-O 3.44Å; T793-L797 HydrophobicContact CG2-CD1 4.15Å
794	N	90.4	Very high	92.6	Very high	83 Å²	83	30.3 Å²	30.3	44%	0.444	16%	0.158	S	C	.	.	S	Bend	trans	-90.9	-9.3	177.5	74.8	9	0	0	0	114	K728 A771	K728-N794 WeakPolarHBondContact CD-O 3.38Å; K728-N794 WeakPolarHBondContact CE-O 3.42Å; K728-N794 PolarHBondContact NZ-O 2.96Å; A771-N794 VanDerWaalsContact CA-OD1 3.25Å; A771-N794 WeakPolarHBondContact CA-OD1 2.97Å; A771-N794 VanDerWaalsContact O-CG 3.3Å; A771-N794 PolarHBondContact O-N 3.12Å; A771-N794 PolarHBondContact O-OD1 3.27Å
795	M	90.9	Very high	92.4	Very high	72 Å²	72	31.9 Å²	31.9	36%	0.355	16%	0.163	S	C	.	.	S	Bend	trans	-144.4	162	178.7	63.2	178.4	70.4	0	0	110.6	A771 T793 L797	A771-M795 HydrophobicContact CB-CG 3.57Å; A771-M795 HydrophobicContact CB-SD 4.25Å; T793-M795 WeakPolarHBondContact CB-O 3.44Å; M795-L797 HydrophobicContact CG-CD2 4.39Å; M795-L797 HydrophobicContact SD-CD2 4.48Å
796	T	92	Very high	91.8	Very high	54 Å²	54	38.1 Å²	38.1	33%	0.331	20%	0.196	S	C	.	.			trans	-76.4	133.3	172.1	-59.7	0	0	0	0	110.2	I726 K728	I726-T796 WeakPolarHBondContact O-CA 3.41Å; I726-T796 WeakPolarHBondContact O-CG2 3.48Å; K728-T796 PolarHBondContact N-OG1 3.35Å
797	L	95.3	Very high	91.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	157.7	177.3	-65	170.6	0	0	0	110.5	I726 L747 F755 V770 A771 F775 T793 M795	I726-L797 HydrophobicContact CB-CB 4.39Å; I726-L797 PolarHBondContact N-O 3.44Å; I726-L797 PolarHBondContact O-N 2.82Å; L747-L797 HydrophobicContact CD1-CB 4.14Å; L747-L797 HydrophobicContact CD1-CD1 4.35Å; L747-L797 HydrophobicContact CD2-CD1 4.41Å; F755-L797 HydrophobicContact CD2-CD2 4.17Å; F755-L797 HydrophobicContact CE2-CD2 3.64Å; V770-L797 HydrophobicContact CG1-CD2 4.34Å; A771-L797 HydrophobicContact CB-CD1 3.88Å; A771-L797 HydrophobicContact CB-CD2 4.19Å; A771-L797 HydrophobicContact CB-CG 4.21Å; F775-L797 HydrophobicContact CE2-CD1 3.69Å; F775-L797 HydrophobicContact CZ-CD1 3.43Å; F775-L797 VanDerWaalsContact CZ-CD1 3.43Å; T793-L797 HydrophobicContact CG2-CD1 4.15Å; M795-L797 HydrophobicContact CG-CD2 4.39Å; M795-L797 HydrophobicContact SD-CD2 4.48Å
798	I	95.4	Very high	90.7	Very high	6 Å²	6	43 Å²	43	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.8	177.3	-55.5	177.1	0	0	0	107.2	E722 R725 K748 M800	E722-I798 HydrophobicContact CG-CG2 3.68Å; E722-I798 WeakPolarHBondContact OE2-CG2 3.36Å; R725-I798 HydrophobicContact CG-CG1 4.33Å; K748-I798 HydrophobicContact CG-CB 3.92Å; K748-I798 HydrophobicContact CG-CG2 4.44Å; K748-I798 PolarHBondContact N-O 3.33Å; K748-I798 PolarHBondContact O-N 3.16Å; I798-M800 HydrophobicContact CG2-CG 3.91Å
799	V	95.3	Very high	90.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.3	170.9	-172.4	0	0	0	0	107.3	V723 V724 I726 I735 V746 L747	V723-V799 HydrophobicContact CB-CB 4.34Å; V723-V799 HydrophobicContact CB-CG1 4.09Å; V723-V799 HydrophobicContact CG1-CG1 4.37Å; V723-V799 PolarHBondContact N-O 2.84Å; V724-V799 HydrophobicContact CG1-CB 3.93Å; V724-V799 HydrophobicContact CG1-CG2 3.82Å; V724-V799 PolarHBondContact N-O 3.05Å; V724-V799 WeakPolarHBondContact O-CB 3.43Å; V724-V799 PolarHBondContact O-N 2.94Å; I726-V799 HydrophobicContact CD1-CG2 3.61Å; I726-V799 HydrophobicContact CG1-CG2 4.18Å; I735-V799 HydrophobicContact CD1-CB 4.45Å; I735-V799 HydrophobicContact CD1-CG1 4.06Å; I735-V799 HydrophobicContact CD1-CG2 3.5Å; I735-V799 VanDerWaalsContact CD1-CG2 3.5Å; I735-V799 HydrophobicContact CG1-CG2 4.35Å; I735-V799 HydrophobicContact CG2-CG1 4.13Å; V746-V799 CarbonylContact O-C 3.57Å; V746-V799 WeakPolarHBondContact O-CA 3.43Å; L747-V799 HydrophobicContact CD1-CG2 4.29Å
800	M	92.8	Very high	90.5	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.039	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	170	175.1	-54.2	-171.8	-45.9	0	0	109.3	Y720 E721 V746 K748 Y754 I798	Y720-M800 HydrophobicContact CD1-CE 3.8Å; Y720-M800 HydrophobicContact CG-CE 4.07Å; E721-M800 CarbonylContact O-C 3.55Å; E721-M800 WeakPolarHBondContact O-CA 3.31Å; E721-M800 WeakPolarHBondContact O-CB 3.49Å; V746-M800 HydrophobicContact CB-CB 4.05Å; V746-M800 HydrophobicContact CG1-CB 4.34Å; V746-M800 HydrophobicContact CG1-CE 3.72Å; V746-M800 PolarHBondContact N-O 2.76Å; V746-M800 PolarHBondContact O-N 3.33Å; K748-M800 HydrophobicContact CD-CE 3.71Å; K748-M800 HydrophobicContact CD-SD 3.75Å; K748-M800 WeakPolarHBondContact CE-SD 3.45Å; K748-M800 HydrophobicContact CG-CE 4.29Å; K748-M800 HydrophobicContact CG-SD 4.33Å; K748-M800 PolarHBondContact NZ-SD 3.14Å; Y754-M800 HydrophobicContact CE1-CE 3.57Å; I798-M800 HydrophobicContact CG2-CG 3.91Å
801	V	92.3	Very high	90.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.4	170	59.7	0	0	0	0	109.7	F710 L714 Y720 E721 V723 N743 Y744 I810	F710-V801 HydrophobicContact CE1-CG1 4.35Å; L714-V801 HydrophobicContact CD2-CG1 3.69Å; Y720-V801 WeakPolarHBondContact CA-O 3.15Å; E721-V801 HydrophobicContact CB-CG1 4.13Å; E721-V801 PolarHBondContact N-O 3.01Å; E721-V801 PolarHBondContact O-N 3.27Å; V723-V801 HydrophobicContact CG2-CB 3.98Å; V723-V801 HydrophobicContact CG2-CG1 3.88Å; N743-V801 HydrophobicContact CB-CG2 3.72Å; Y744-V801 CarbonylContact O-C 3.55Å; Y744-V801 WeakPolarHBondContact O-CA 3.24Å; V801-I810 HydrophobicContact CB-CD1 3.86Å; V801-I810 HydrophobicContact CG1-CD1 4.21Å; V801-I810 HydrophobicContact CG2-CD1 4.01Å
802	L	91.4	Very high	91	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116.7	170.3	171.8	59.2	0	0	0	108.8	Y720 Y744 V746 L760	Y720-L802 HydrophobicContact CD1-CB 4.08Å; Y720-L802 HydrophobicContact CD1-CD1 4.37Å; Y720-L802 HydrophobicContact CD2-CD1 4.45Å; Y720-L802 HydrophobicContact CE1-CB 3.86Å; Y720-L802 HydrophobicContact CE1-CD1 4.09Å; Y720-L802 HydrophobicContact CE1-CG 4.38Å; Y720-L802 HydrophobicContact CE2-CD1 4.17Å; Y744-L802 HydrophobicContact CD2-CD2 4.48Å; Y744-L802 PolarHBondContact N-O 3.29Å; Y744-L802 PolarHBondContact O-N 2.85Å; V746-L802 HydrophobicContact CG2-CB 3.97Å; L760-L802 HydrophobicContact CD2-CD1 3.73Å
803	V	89	Confident	91.3	Very high	3 Å²	3	42 Å²	42	2%	0.018	20%	0.198	C	C	.	.			trans	-75.2	127.4	-173	-170.3	0	0	0	0	111.2	L714 P715 G718 D719	L714-V803 HydrophobicContact CB-CB 4.47Å; L714-V803 HydrophobicContact CB-CG1 3.77Å; L714-V803 HydrophobicContact CB-CG2 3.81Å; L714-V803 HydrophobicContact CD1-CB 4.48Å; L714-V803 HydrophobicContact CD1-CG1 3.97Å; L714-V803 HydrophobicContact CD1-CG2 4.07Å; L714-V803 HydrophobicContact CD2-CG2 4.09Å; L714-V803 HydrophobicContact CG-CG1 4.46Å; L714-V803 HydrophobicContact CG-CG2 4.19Å; P715-V803 HydrophobicContact CG-CG2 4.28Å; G718-V803 PolarHBondContact N-O 3.42Å; D719-V803 WeakPolarHBondContact O-CG2 3.39Å; D719-V803 PolarHBondContact O-N 3.2Å
804	R	89	Confident	91.5	Very high	133 Å²	133	42 Å²	42	50%	0.502	20%	0.198	S	C	.	.	S	Bend	trans	-135.5	-30.9	177.7	-61.2	-62	-64.3	174.8	0.2	111.9	L742 N743 Y744	L742-R804 HydrophobicContact CB-CB 4.11Å; L742-R804 VanDerWaalsContact O-CB 3.23Å; L742-R804 WeakPolarHBondContact O-CB 3.36Å; L742-R804 VanDerWaalsContact O-CG 3.25Å; L742-R804 WeakPolarHBondContact O-CG 3.41Å; N743-R804 PolarHBondContact OD1-N 3.17Å; Y744-R804 HydrophobicContact CD2-CG 4.21Å; Y744-R804 HydrophobicContact CE2-CG 4.29Å
805	E	87.8	Confident	91.7	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.299	18%	0.179	S	C	.	.	S	Bend	trans	-155.8	175.9	173.6	67.2	-176.6	-171.5	0	0	110.7	S741 L742 N743	S741-E805 WeakPolarHBondContact CA-OE1 3.31Å; S741-E805 VanDerWaalsContact CB-OE1 3.23Å; S741-E805 WeakPolarHBondContact CB-OE1 3.2Å; L742-E805 HydrophobicContact CB-CG 3.99Å; L742-E805 WeakPolarHBondContact CD1-OE2 3.41Å; L742-E805 VanDerWaalsContact CG-OE2 3.29Å; L742-E805 WeakPolarHBondContact CG-OE2 3.33Å; L742-E805 PolarHBondContact N-OE1 3.06Å; N743-E805 PolarHBondContact ND2-O 3.24Å; N743-E805 PolarHBondContact OD1-N 2.94Å; N743-E805 PolarHBondContact OD1-O 3Å; N743-E805 VanDerWaalsContact OD1-O 3.06Å
806	D	83	Confident	91.7	Very high	132 Å²	132	35.7 Å²	35.7	71%	0.706	17%	0.166	S	C	*	.			trans	-55.2	139.8	-178.8	-67.2	-37.7	0	0	0	113.3	Q808	D806-Q808 PolarHBondContact O-N 3.16Å; D806-Q808 VanDerWaalsContact O-N 3.11Å; D806-Q808 PolarHBondContact O-NE2 2.92Å
807	N	83.3	Confident	91.6	Very high	29 Å²	29	36.2 Å²	36.2	16%	0.155	17%	0.17	C	C	.	.			trans	-63	110	-177.9	-173.9	8	0	0	0	111.9	F710 N711 D712 L714 G809	F710-N807 WeakPolarHBondContact CD1-ND2 3.4Å; F710-N807 WeakPolarHBondContact CE1-ND2 2.98Å; F710-N807 PolarHBondContact O-ND2 2.69Å; F710-N807 VanDerWaalsContact O-ND2 3.08Å; N711-N807 WeakPolarHBondContact CA-ND2 3.27Å; D712-N807 PolarHBondContact N-ND2 2.67Å; D712-N807 PolarHBondContact O-ND2 3.04Å; L714-N807 HydrophobicContact CD1-CB 3.75Å; L714-N807 HydrophobicContact CG-CB 3.93Å; N807-G809 PolarHBondContact O-N 2.82Å; N807-G809 WeakPolarHBondContact OD1-CA 3.38Å; N807-G809 PolarHBondContact OD1-N 3.4Å
808	Q	84.5	Confident	91.1	Very high	87 Å²	87	39 Å²	39	41%	0.407	19%	0.187	S	C	.	.			trans	-79.5	3.3	174.2	-54.9	-54.1	-59.8	0	0	113.6	N739 D806	N739-Q808 HydrophobicContact CB-CB 4.03Å; D806-Q808 PolarHBondContact O-N 3.16Å; D806-Q808 VanDerWaalsContact O-N 3.11Å; D806-Q808 PolarHBondContact O-NE2 2.92Å
809	G	89.8	Confident	89.4	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.01	23%	0.228	C	C	.	.			trans	95.5	133.3	179.1	0	0	0	0	0	113	F710 N711 L738 N807	F710-G809 WeakPolarHBondContact O-CA 3.46Å; N711-G809 WeakPolarHBondContact OD1-CA 3.41Å; L738-G809 PolarHBondContact N-O 3.01Å; N807-G809 PolarHBondContact O-N 2.82Å; N807-G809 WeakPolarHBondContact OD1-CA 3.38Å; N807-G809 PolarHBondContact OD1-N 3.4Å
810	I	94.1	Very high	87.2	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113	178.1	-58	168.7	0	0	0	109.6	V709 F710 V723 I735 Q736 L745 V801	V709-I810 CarbonylContact C-O 3.51Å; V709-I810 WeakPolarHBondContact CA-O 3.39Å; F710-I810 HydrophobicContact CB-CB 4.45Å; F710-I810 HydrophobicContact CD1-CD1 4.36Å; F710-I810 PolarHBondContact N-O 3.43Å; F710-I810 PolarHBondContact O-N 2.99Å; V723-I810 HydrophobicContact CG1-CB 4.32Å; V723-I810 HydrophobicContact CG1-CG2 4Å; V723-I810 HydrophobicContact CG2-CD1 3.79Å; I735-I810 HydrophobicContact CG2-CG2 3.89Å; Q736-I810 CarbonylContact O-C 3.06Å; L745-I810 HydrophobicContact CD2-CD1 3.96Å; L745-I810 HydrophobicContact CD2-CG1 4.47Å; L745-I810 HydrophobicContact CD2-CG2 3.92Å; V801-I810 HydrophobicContact CB-CD1 3.86Å; V801-I810 HydrophobicContact CG1-CD1 4.21Å; V801-I810 HydrophobicContact CG2-CD1 4.01Å
811	H	95.4	Very high	84.6	Confident	41 Å²	41	59.4 Å²	59.4	19%	0.19	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.1	170.5	177	-106.8	0	0	0	110.4	E707 G708 I735 Q736 L738	E707-H811 IonicContact OE1-CE1 2.71Å; E707-H811 PolarHBondContact OE1-CE1 2.76Å; E707-H811 IonicContact OE1-NE2 2.79Å; E707-H811 PolarHBondContact OE1-NE2 3.39Å; G708-H811 WeakPolarHBondContact O-CA 3.37Å; G708-H811 PolarHBondContact O-CD2 3.31Å; I735-H811 WeakPolarHBondContact CA-O 3.44Å; Q736-H811 PolarHBondContact N-O 3.15Å; Q736-H811 PolarHBondContact O-N 2.95Å; L738-H811 HydrophobicContact CD2-CB 3.93Å
812	Y	96.3	Very high	82.2	Confident	47 Å²	47	65 Å²	65	18%	0.184	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.3	172.9	61	-98.4	0	0	0	111.1	V706 E707 G708 F710 V723 V724 H734 F814	V706-Y812 HydrophobicContact CG1-CE2 4.27Å; E707-Y812 VanDerWaalsContact CA-O 3.32Å; E707-Y812 WeakPolarHBondContact CA-O 3.36Å; G708-Y812 PolarHBondContact N-O 3.42Å; G708-Y812 PolarHBondContact O-N 3.05Å; F710-Y812 HydrophobicContact CB-CE1 4.31Å; V723-Y812 HydrophobicContact CG1-CD1 4.24Å; V724-Y812 HydrophobicContact CB-CD1 4.28Å; V724-Y812 HydrophobicContact CB-CD2 4.3Å; V724-Y812 HydrophobicContact CB-CE1 4.33Å; V724-Y812 HydrophobicContact CB-CE2 4.37Å; V724-Y812 HydrophobicContact CB-CG 4.25Å; V724-Y812 HydrophobicContact CG1-CD1 4.28Å; V724-Y812 HydrophobicContact CG1-CD2 4.21Å; V724-Y812 HydrophobicContact CG1-CG 3.95Å; V724-Y812 HydrophobicContact CG2-CD2 4.03Å; V724-Y812 HydrophobicContact CG2-CE2 3.87Å; V724-Y812 HydrophobicContact CG2-CG 4.48Å; H734-Y812 CarbonylContact O-C 3.41Å; H734-Y812 WeakPolarHBondContact O-CA 3.4Å; Y812-F814 HydrophobicContact CD2-CD1 4.49Å; Y812-F814 AromaticContact CD2-CE1 3.98Å; Y812-F814 HydrophobicContact CD2-CE1 3.98Å; Y812-F814 HydrophobicContact CE2-CE1 4.49Å
813	R	96.7	Very high	80	Confident	107 Å²	107	72.5 Å²	72.5	40%	0.404	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	133	177.8	-175.6	-178.5	-178.3	126.2	2.8	110.3	V706 E707 I733 H734	V706-R813 CarbonylContact O-C 3.53Å; V706-R813 VanDerWaalsContact O-CA 3.32Å; V706-R813 WeakPolarHBondContact O-CA 3.48Å; E707-R813 HydrophobicContact CB-CB 4.45Å; E707-R813 HydrophobicContact CB-CG 4.2Å; E707-R813 HydrophobicContact CG-CB 4.17Å; E707-R813 HydrophobicContact CG-CG 4.17Å; E707-R813 WeakPolarHBondContact OE1-CD 3.24Å; E707-R813 IonicContact OE1-CZ 3.22Å; E707-R813 IonicContact OE1-NH1 2.65Å; E707-R813 PolarHBondContact OE1-NH1 3.28Å; E707-R813 IonicContact OE2-CZ 3.92Å; E707-R813 IonicContact OE2-NE 2.89Å; E707-R813 IonicContact OE2-NH1 3.79Å; E707-R813 PolarHBondContact OE2-NH1 3.41Å; E707-R813 IonicContact OE2-NH2 3.86Å; I733-R813 CarbonylContact C-O 3.58Å; I733-R813 WeakPolarHBondContact CA-O 3.31Å; H734-R813 HydrophobicContact CB-CB 4.43Å; H734-R813 PolarHBondContact N-O 3.31Å; H734-R813 PolarHBondContact O-N 3.48Å
814	F	96	Very high	78.3	Confident	6 Å²	6	76.4 Å²	76.4	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	156.3	172	55.4	-86.3	0	0	0	110.7	V706 V724 I726 P727 I733 Y812 P816	V706-F814 HydrophobicContact CB-CD2 4.32Å; V706-F814 HydrophobicContact CB-CE1 4.46Å; V706-F814 HydrophobicContact CB-CE2 3.97Å; V706-F814 HydrophobicContact CB-CZ 4.06Å; V706-F814 HydrophobicContact CG1-CE1 4.04Å; V706-F814 HydrophobicContact CG1-CE2 4.14Å; V706-F814 HydrophobicContact CG1-CZ 3.71Å; V706-F814 HydrophobicContact CG2-CE2 4.28Å; V706-F814 PolarHBondContact N-O 3.33Å; V706-F814 PolarHBondContact O-N 2.79Å; V706-F814 VanDerWaalsContact O-O 3.05Å; V724-F814 HydrophobicContact CG1-CE1 4.24Å; V724-F814 HydrophobicContact CG2-CE1 3.69Å; V724-F814 HydrophobicContact CG2-CZ 3.89Å; I726-F814 HydrophobicContact CG1-CD1 4.02Å; I726-F814 HydrophobicContact CG1-CE1 4.04Å; I726-F814 HydrophobicContact CG1-CG 4.34Å; I726-F814 HydrophobicContact CG1-CZ 4.39Å; I726-F814 HydrophobicContact CG2-CD2 4.29Å; I726-F814 HydrophobicContact CG2-CG 4.4Å; P727-F814 VanDerWaalsContact CD-CE2 3.48Å; P727-F814 HydrophobicContact CG-CE2 4.49Å; I733-F814 HydrophobicContact CB-CB 4.45Å; I733-F814 HydrophobicContact CG1-CB 3.89Å; Y812-F814 HydrophobicContact CD2-CD1 4.49Å; Y812-F814 AromaticContact CD2-CE1 3.98Å; Y812-F814 HydrophobicContact CD2-CE1 3.98Å; Y812-F814 HydrophobicContact CE2-CE1 4.49Å; F814-P816 HydrophobicContact CD2-CG 4.37Å; F814-P816 HydrophobicContact CE2-CG 4.29Å; F814-P816 VanDerWaalsContact O-CD 3.32Å; F814-P816 WeakPolarHBondContact O-CD 3.16Å
815	N	95.1	Very high	77.1	Confident	8 Å²	8	71.2 Å²	71.2	4%	0.043	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	96.3	-179.8	-62.2	-27.9	0	0	0	110.4	R692 C703 T704 S705 S730 V731	R692-N815 PolarHBondContact O-ND2 2.85Å; C703-N815 HydrophobicContact CB-CB 4.29Å; T704-N815 CarbonylContact O-C 3.55Å; T704-N815 WeakPolarHBondContact O-CA 3.47Å; T704-N815 WeakPolarHBondContact O-CB 3.43Å; S705-N815 VanDerWaalsContact CA-OD1 3.23Å; S705-N815 WeakPolarHBondContact CA-OD1 3.45Å; S705-N815 WeakPolarHBondContact CB-OD1 3.49Å; S705-N815 PolarHBondContact OG-OD1 2.77Å; S730-N815 WeakPolarHBondContact CA-O 3.24Å; V731-N815 HydrophobicContact CG2-CB 3.92Å; V731-N815 PolarHBondContact N-O 3.29Å; V731-N815 PolarHBondContact O-N 2.72Å
816	P	92.4	Very high	76.3	Confident	13 Å²	13	71.6 Å²	71.6	8%	0.084	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-76.8	150.8	175.4	31.9	-34.4	0	0	0	112.1	C703 T704 V706 P727 F814	C703-P816 VanDerWaalsContact CA-O 3.28Å; C703-P816 WeakPolarHBondContact CA-O 3.25Å; C703-P816 VanDerWaalsContact CB-O 3.27Å; C703-P816 WeakPolarHBondContact CB-O 3.48Å; T704-P816 PolarHBondContact N-O 3.47Å; T704-P816 VanDerWaalsContact N-O 3.08Å; T704-P816 WeakPolarHBondContact O-CD 3.33Å; V706-P816 HydrophobicContact CG2-CG 3.72Å; P727-P816 HydrophobicContact CB-CB 4.32Å; P727-P816 HydrophobicContact CG-CB 4.04Å; F814-P816 HydrophobicContact CD2-CG 4.37Å; F814-P816 HydrophobicContact CE2-CG 4.29Å; F814-P816 VanDerWaalsContact O-CD 3.32Å; F814-P816 WeakPolarHBondContact O-CD 3.16Å
817	P	89	Confident	76.1	Confident	65 Å²	65	66.6 Å²	66.6	42%	0.422	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-68.2	145.1	178	29.8	-35.9	0	0	0	111.4	S819	P817-S819 PolarHBondContact O-N 2.8Å
818	V	83.8	Confident	76.2	Confident	60 Å²	60	66.7 Å²	66.7	36%	0.364	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-71.6	118.1	177.8	-177.7	0	0	0	0	109.9	S702 T704 R820	S702-V818 PolarHBondContact O-N 2.73Å; T704-V818 HydrophobicContact CG2-CG2 4.24Å; V818-R820 VanDerWaalsContact C-N 3.26Å; V818-R820 HydrophobicContact CG1-CG 4.22Å; V818-R820 PolarHBondContact O-N 3.28Å
819	S	60.9	Low	76.1	Confident	125 Å²	125	65.6 Å²	65.6	87%	0.874	35%	0.35	S	S	*	.			trans	-70.9	76	175.2	177.9	0	0	0	0	112.2	P817	P817-S819 PolarHBondContact O-N 2.8Å
820	R	49.6	Very low	75.9	Confident	208 Å²	208	68.9 Å²	68.9	79%	0.785	36%	0.363	S	S	*	.			trans	-101.9	146.9	156.8	-71.5	-179.4	179.4	-171.7	-0.2	109.2	V818 P822	V818-R820 VanDerWaalsContact C-N 3.26Å; V818-R820 HydrophobicContact CG1-CG 4.22Å; V818-R820 PolarHBondContact O-N 3.28Å; R820-P822 VanDerWaalsContact O-CD 3.28Å; R820-P822 WeakPolarHBondContact O-CD 3.44Å; R820-P822 VanDerWaalsContact O-N 3.16Å
821	D	36.5	Very low	75.3	Confident	109 Å²	109	70.5 Å²	70.5	58%	0.583	37%	0.373	S	S	*	.			trans	-53.7	115.2	177.5	173	32.6	0	0	0	110.9	M823 S824	D821-M823 PolarHBondContact O-N 3.42Å; D821-S824 PolarHBondContact OD2-OG 3.21Å
822	P	43.1	Very low	74.6	Confident	118 Å²	118	73.7 Å²	73.7	77%	0.766	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	4	-165.3	-23.8	35.7	0	0	0	117.3	R820	R820-P822 VanDerWaalsContact O-CD 3.28Å; R820-P822 WeakPolarHBondContact O-CD 3.44Å; R820-P822 VanDerWaalsContact O-N 3.16Å
823	M	44.3	Very low	74	Confident	164 Å²	164	74.8 Å²	74.8	81%	0.808	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	2.1	-168.9	-65.7	-163.1	-64.6	0	0	116.3	D821	D821-M823 PolarHBondContact O-N 3.42Å
824	S	54.4	Low	73.1	Confident	84 Å²	84	71.9 Å²	71.9	59%	0.587	40%	0.4	S	S	*	.	S	Bend	trans	-117.1	24.9	-172.4	47.5	0	0	0	0	115	D821 Q854	D821-S824 PolarHBondContact OD2-OG 3.21Å; S824-Q854 PolarHBondContact O-OE1 3.13Å
825	G	62.6	Low	72.5	Confident	25 Å²	25	82.9 Å²	82.9	26%	0.258	44%	0.441	S	S	.	.	S	Bend	trans	-142.2	-6.8	-176.8	0	0	0	0	0	117.9	R853 Q854	G825-R853 CarbonylContact O-C 3.59Å; G825-R853 WeakPolarHBondContact O-CA 3.44Å; G825-Q854 PolarHBondContact O-N 2.91Å
826	F	71.4	Confident	71.8	Confident	71 Å²	71	83.6 Å²	83.6	31%	0.311	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.1	-175.8	-61.7	-78.4	0	0	0	111.4	K852 R853 V860 F864	F826-K852 WeakPolarHBondContact CA-O 3.43Å; F826-R853 HydrophobicContact CD1-CB 3.99Å; F826-R853 HydrophobicContact CD1-CG 4.14Å; F826-R853 HydrophobicContact CE1-CB 3.74Å; F826-R853 HydrophobicContact CE1-CG 3.61Å; F826-R853 HydrophobicContact CZ-CG 4.2Å; F826-V860 HydrophobicContact CD1-CG2 3.79Å; F826-V860 HydrophobicContact CE1-CG1 4.34Å; F826-V860 HydrophobicContact CE1-CG2 3.98Å; F826-F864 VanDerWaalsContact CB-O 3.26Å; F826-F864 WeakPolarHBondContact CB-O 3.42Å; F826-F864 HydrophobicContact CD1-CB 3.95Å; F826-F864 HydrophobicContact CD2-CB 4.36Å; F826-F864 HydrophobicContact CE1-CB 4.22Å; F826-F864 HydrophobicContact CE1-CG 4.4Å; F826-F864 HydrophobicContact CE2-CD1 4.4Å; F826-F864 HydrophobicContact CG-CB 4.03Å; F826-F864 HydrophobicContact CZ-CD1 4.25Å
827	A	79.9	Confident	71.4	Confident	27 Å²	27	87.3 Å²	87.3	22%	0.223	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.5	-179.3	0	0	0	0	0	112.1	Q829 K852 Q854	A827-Q829 PolarHBondContact O-N 2.69Å; A827-K852 PolarHBondContact N-O 3.18Å; A827-K852 PolarHBondContact O-N 3.22Å; A827-Q854 HydrophobicContact CB-CG 4.18Å
828	W	84.6	Confident	70.8	Confident	31 Å²	31	85.7 Å²	85.7	12%	0.117	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	112.3	167.3	-72.2	113.8	0	0	0	109.9	V849 C851 N862 C865 D866 K870 P871	W828-V849 HydrophobicContact CB-CG1 3.7Å; W828-V849 HydrophobicContact CD2-CG1 4.06Å; W828-V849 HydrophobicContact CE3-CB 4.45Å; W828-V849 HydrophobicContact CE3-CG1 3.57Å; W828-V849 HydrophobicContact CG-CG1 4.16Å; W828-C851 HydrophobicContact CE3-CB 4.29Å; W828-C851 HydrophobicContact CH2-CB 4.49Å; W828-C851 HydrophobicContact CZ3-CB 4.1Å; W828-N862 HydrophobicContact CH2-CB 3.88Å; W828-N862 WeakPolarHBondContact CH2-O 3.42Å; W828-N862 HydrophobicContact CZ3-CB 4.46Å; W828-N862 WeakPolarHBondContact CZ3-OD1 3.49Å; W828-C865 HydrophobicContact CD2-CB 3.71Å; W828-C865 HydrophobicContact CE3-CB 4.34Å; W828-C865 HydrophobicContact CG-CB 4.04Å; W828-C865 HydrophobicContact CH2-CB 4.31Å; W828-C865 HydrophobicContact CZ2-CB 3.68Å; W828-D866 PolarHBondContact NE1-O 2.57Å; W828-K870 HydrophobicContact CD2-CB 4.13Å; W828-K870 HydrophobicContact CD2-CG 3.88Å; W828-K870 HydrophobicContact CE3-CD 4.47Å; W828-K870 HydrophobicContact CE3-CG 4.09Å; W828-K870 HydrophobicContact CG-CB 4.48Å; W828-K870 HydrophobicContact CG-CG 4.5Å; W828-K870 HydrophobicContact CH2-CD 3.78Å; W828-K870 HydrophobicContact CH2-CG 4.1Å; W828-K870 HydrophobicContact CZ2-CB 3.86Å; W828-K870 HydrophobicContact CZ2-CD 3.92Å; W828-K870 HydrophobicContact CZ2-CG 3.88Å; W828-K870 HydrophobicContact CZ3-CD 4.07Å; W828-K870 HydrophobicContact CZ3-CG 4.19Å; W828-P871 VanDerWaalsContact CB-CD 3.49Å; W828-P871 HydrophobicContact CB-CG 4.19Å
829	Q	83.4	Confident	70.6	Confident	64 Å²	64	90.4 Å²	90.4	30%	0.299	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.3	174.2	-68	-168.1	5.8	0	0	110.2	A827 V850 K852	A827-Q829 PolarHBondContact O-N 2.69Å; Q829-V850 PolarHBondContact N-O 2.81Å; Q829-V850 PolarHBondContact O-N 2.73Å; Q829-V850 VanDerWaalsContact O-O 3.1Å; Q829-K852 HydrophobicContact CB-CB 4.38Å; Q829-K852 HydrophobicContact CB-CD 3.97Å; Q829-K852 HydrophobicContact CB-CG 4.3Å; Q829-K852 HydrophobicContact CG-CB 4.25Å; Q829-K852 HydrophobicContact CG-CD 4.32Å
830	Y	83.8	Confident	71.3	Confident	71 Å²	71	86.3 Å²	86.3	28%	0.278	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137	167.9	-68.1	-82.6	0	0	0	109.4	Q847 Q848 V849 P871 K872 K874	Y830-Q847 HydrophobicContact CD1-CB 4.01Å; Y830-Q847 HydrophobicContact CD1-CG 4.31Å; Y830-Q848 WeakPolarHBondContact CA-O 3.35Å; Y830-V849 HydrophobicContact CD1-CG2 3.75Å; Y830-V849 HydrophobicContact CE1-CG2 3.57Å; Y830-P871 HydrophobicContact CE2-CB 4.36Å; Y830-P871 VanDerWaalsContact OH-CB 3.24Å; Y830-P871 WeakPolarHBondContact OH-CB 3.32Å; Y830-K872 PolarHBondContact OH-O 2.96Å; Y830-K874 HydrophobicContact CD1-CB 4.37Å; Y830-K874 HydrophobicContact CD1-CD 4.01Å; Y830-K874 HydrophobicContact CD1-CG 4.24Å; Y830-K874 HydrophobicContact CE1-CB 4Å; Y830-K874 HydrophobicContact CE1-CD 3.56Å; Y830-K874 HydrophobicContact CE1-CG 3.52Å; Y830-K874 HydrophobicContact CE2-CD 4.15Å; Y830-K874 HydrophobicContact CG-CD 4.47Å; Y830-K874 VanDerWaalsContact CZ-CE 3.46Å; Y830-K874 WeakPolarHBondContact OH-CE 3.23Å
831	T	81.5	Confident	72.3	Confident	37 Å²	37	76.5 Å²	76.5	23%	0.227	42%	0.421	C	S	.	.			trans	-64.4	174	170.5	59.6	0	0	0	0	111	Q847 Q848 V850	T831-Q847 WeakPolarHBondContact O-CG 3.46Å; T831-Q847 PolarHBondContact O-NE2 2.81Å; T831-Q848 HydrophobicContact CG2-CB 4.29Å; T831-Q848 PolarHBondContact N-O 2.75Å; T831-Q848 PolarHBondContact OG1-N 2.89Å; T831-Q848 PolarHBondContact OG1-O 3.21Å; T831-V850 HydrophobicContact CG2-CB 4.3Å; T831-V850 HydrophobicContact CG2-CG1 3.67Å; T831-V850 HydrophobicContact CG2-CG2 3.67Å
832	S	82.5	Confident	74.1	Confident	108 Å²	108	72.5 Å²	72.5	76%	0.755	41%	0.406	S	S	*	.	S	Bend	trans	-51.9	145.1	150.4	-56.4	0	0	0	0	109.3	S834	S832-S834 PolarHBondContact O-N 3.17Å
833	W	82.6	Confident	75.6	Confident	69 Å²	69	67.1 Å²	67.1	26%	0.261	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-55.4	142.4	171.7	-67.7	93.4	0	0	0	110.1	Q845 Q847 K874 R876	W833-Q845 HydrophobicContact CB-CB 4.32Å; W833-Q845 HydrophobicContact CB-CG 4.27Å; W833-Q845 HydrophobicContact CD2-CB 4.41Å; W833-Q845 HydrophobicContact CE3-CB 3.77Å; W833-Q845 HydrophobicContact CZ3-CB 4.47Å; W833-Q845 WeakPolarHBondContact CZ3-O 3.4Å; W833-Q847 HydrophobicContact CD2-CB 3.85Å; W833-Q847 HydrophobicContact CD2-CG 3.69Å; W833-Q847 HydrophobicContact CE3-CB 3.56Å; W833-Q847 HydrophobicContact CE3-CG 3.95Å; W833-Q847 HydrophobicContact CG-CG 4.01Å; W833-Q847 HydrophobicContact CH2-CB 4.06Å; W833-Q847 HydrophobicContact CZ2-CB 4.27Å; W833-Q847 HydrophobicContact CZ2-CG 4.38Å; W833-Q847 HydrophobicContact CZ3-CB 3.68Å; W833-Q847 HydrophobicContact CZ3-CG 4.43Å; W833-K874 HydrophobicContact CH2-CB 3.76Å; W833-K874 HydrophobicContact CZ3-CB 4.17Å; W833-K874 WeakPolarHBondContact CZ3-O 3.46Å; W833-R876 HydrophobicContact CD2-CG 4.2Å; W833-R876 HydrophobicContact CE3-CG 3.8Å; W833-R876 HydrophobicContact CH2-CB 3.73Å; W833-R876 HydrophobicContact CH2-CG 3.68Å; W833-R876 HydrophobicContact CZ2-CB 4.41Å; W833-R876 HydrophobicContact CZ2-CG 4.12Å; W833-R876 HydrophobicContact CZ3-CB 3.89Å; W833-R876 HydrophobicContact CZ3-CG 3.52Å
834	S	78.6	Confident	77.4	Confident	46 Å²	46	61.5 Å²	61.5	32%	0.322	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-53.7	169.8	174.1	69.9	0	0	0	0	111.8	S832 Q845 I846	S832-S834 PolarHBondContact O-N 3.17Å; S834-Q845 VanDerWaalsContact O-CG 3.29Å; S834-Q845 WeakPolarHBondContact O-CG 3.49Å; S834-Q845 PolarHBondContact O-NE2 2.57Å; S834-I846 WeakPolarHBondContact CB-O 3.32Å; S834-I846 PolarHBondContact N-O 2.94Å; S834-I846 PolarHBondContact OG-N 2.97Å
835	R	82.3	Confident	78.5	Confident	238 Å²	238	59 Å²	59	90%	0.898	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-60.2	146.4	155.9	-67.7	-174.6	179	-178.2	-0.2	108.5
836	C	81.6	Confident	79.3	Confident	23 Å²	23	60 Å²	60	16%	0.155	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-63.2	137.2	179.4	-170.9	0	0	0	0	110.1	A838 Q845 C878	C836-A838 WeakPolarHBondContact CB-O 3.35Å; C836-A838 PolarHBondContact O-N 2.78Å; C836-A838 VanDerWaalsContact O-N 3.13Å; C836-A838 PolarHBondContact SG-O 2.99Å; C836-Q845 HydrophobicContact CB-CG 4.18Å; C836-C878 VanDerWaalsContact CA-SG 3.51Å; C836-C878 HydrophobicContact CB-CB 3.85Å; C836-C878 WeakPolarHBondContact CB-SG 3.14Å; C836-C878 WeakPolarHBondContact SG-CB 3.22Å; C836-C878 PolarHBondContact SG-O 3.32Å; C836-C878 VanDerWaalsContact SG-O 3.38Å; C836-C878 CovalentContact SG-SG 2.02Å; C836-C878 PolarHBondContact SG-SG 3.15Å
837	S	83.3	Confident	79.7	Confident	90 Å²	90	58.1 Å²	58.1	63%	0.629	32%	0.317	S	S	*	.	S	Bend	trans	-68.1	-9.9	-176.7	74.9	0	0	0	0	114.3	V844	S837-V844 WeakPolarHBondContact CB-O 3.33Å; S837-V844 PolarHBondContact N-O 3.39Å; S837-V844 VanDerWaalsContact N-O 3.09Å; S837-V844 PolarHBondContact OG-N 2.81Å; S837-V844 PolarHBondContact OG-O 3.19Å
838	A	76.8	Confident	79.8	Confident	32 Å²	32	62 Å²	62	26%	0.264	33%	0.331	S	S	.	.	S	Bend	trans	-138.1	152.8	170.4	0	0	0	0	0	108.8	C836 C840 N879	C836-A838 WeakPolarHBondContact CB-O 3.35Å; C836-A838 PolarHBondContact O-N 2.78Å; C836-A838 VanDerWaalsContact O-N 3.13Å; C836-A838 PolarHBondContact SG-O 2.99Å; A838-C840 VanDerWaalsContact C-N 3.35Å; A838-N879 PolarHBondContact O-ND2 2.86Å
839	L	78.8	Confident	79.8	Confident	159 Å²	159	60.8 Å²	60.8	83%	0.832	33%	0.327	S	S	*	.	S	Bend	trans	-78.9	-20.8	178.2	-67	175.6	0	0	0	112.8	N879	L839-N879 WeakPolarHBondContact O-CB 3.49Å; L839-N879 PolarHBondContact O-ND2 3.46Å
840	C	75.7	Confident	79.9	Confident	39 Å²	39	59 Å²	59	26%	0.264	32%	0.32	S	S	.	.	S	Bend	trans	-163	173	-178.5	49.5	0	0	0	0	110.1	A838 G842 N879 C883	A838-C840 VanDerWaalsContact C-N 3.35Å; C840-G842 VanDerWaalsContact C-N 3.34Å; C840-G842 PolarHBondContact O-N 2.94Å; C840-N879 CarbonylContact C-O 3.59Å; C840-N879 WeakPolarHBondContact CA-O 3.49Å; C840-C883 HydrophobicContact CB-CB 3.86Å; C840-C883 WeakPolarHBondContact CB-SG 3.31Å; C840-C883 WeakPolarHBondContact SG-CA 3.21Å; C840-C883 WeakPolarHBondContact SG-CB 3.36Å; C840-C883 CovalentContact SG-SG 2.03Å; C840-C883 PolarHBondContact SG-SG 3.04Å
841	A	70.2	Confident	79.9	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	31%	0.307	C	S	.	.	S	Bend	trans	57.1	36.4	178.7	0	0	0	0	0	115.7	N879 E881 R913 S915 A916	A841-N879 PolarHBondContact N-O 2.82Å; A841-E881 PolarHBondContact N-O 2.67Å; A841-R913 HydrophobicContact CB-CB 3.77Å; A841-R913 HydrophobicContact CB-CG 3.51Å; A841-R913 WeakPolarHBondContact CB-O 3.48Å; A841-S915 CarbonylContact O-C 3.53Å; A841-S915 VanDerWaalsContact O-CA 3.26Å; A841-S915 WeakPolarHBondContact O-CA 3.31Å; A841-A916 PolarHBondContact O-N 2.98Å
842	G	74.3	Confident	79.8	Confident	26 Å²	26	56.1 Å²	56.1	27%	0.268	31%	0.306	S	S	.	.			trans	83.4	82.9	171.6	0	0	0	0	0	113.9	C840 N879	C840-G842 VanDerWaalsContact C-N 3.34Å; C840-G842 PolarHBondContact O-N 2.94Å; G842-N879 PolarHBondContact N-O 3.03Å
843	G	75.3	Confident	79.6	Confident	4 Å²	4	54.4 Å²	54.4	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	176.9	160.8	0	0	0	0	0	112.2	S877 C878	G843-S877 WeakPolarHBondContact O-CA 3.31Å; G843-C878 PolarHBondContact N-O 3.5Å; G843-C878 PolarHBondContact O-N 2.85Å; G843-C878 PolarHBondContact O-SG 3.39Å; G843-C878 VanDerWaalsContact O-SG 3.36Å
844	V	81.1	Confident	79.2	Confident	47 Å²	47	55.9 Å²	55.9	29%	0.285	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.5	168.2	-179.7	0	0	0	0	109.1	S837 I846 R875 R876	S837-V844 WeakPolarHBondContact CB-O 3.33Å; S837-V844 PolarHBondContact N-O 3.39Å; S837-V844 VanDerWaalsContact N-O 3.09Å; S837-V844 PolarHBondContact OG-N 2.81Å; S837-V844 PolarHBondContact OG-O 3.19Å; V844-I846 HydrophobicContact CG1-CG1 4.15Å; V844-R875 HydrophobicContact CG1-CB 4.04Å; V844-R875 HydrophobicContact CG1-CG 4.02Å; V844-R876 WeakPolarHBondContact CA-O 3.46Å
845	Q	78.9	Confident	78.9	Confident	31 Å²	31	58.5 Å²	58.5	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131	163.3	-99.7	-179.3	-32.8	0	0	107.9	W833 S834 C836 R875 R876 C878	W833-Q845 HydrophobicContact CB-CB 4.32Å; W833-Q845 HydrophobicContact CB-CG 4.27Å; W833-Q845 HydrophobicContact CD2-CB 4.41Å; W833-Q845 HydrophobicContact CE3-CB 3.77Å; W833-Q845 HydrophobicContact CZ3-CB 4.47Å; W833-Q845 WeakPolarHBondContact CZ3-O 3.4Å; S834-Q845 VanDerWaalsContact O-CG 3.29Å; S834-Q845 WeakPolarHBondContact O-CG 3.49Å; S834-Q845 PolarHBondContact O-NE2 2.57Å; C836-Q845 HydrophobicContact CB-CG 4.18Å; Q845-R875 WeakPolarHBondContact O-CA 3.24Å; Q845-R876 HydrophobicContact CB-CG 3.84Å; Q845-R876 PolarHBondContact N-O 2.97Å; Q845-R876 PolarHBondContact O-N 2.69Å; Q845-R876 VanDerWaalsContact OE1-CZ 3.24Å; Q845-C878 HydrophobicContact CB-CB 4.11Å; Q845-C878 HydrophobicContact CG-CB 3.86Å; Q845-C878 VanDerWaalsContact CG-SG 3.6Å; Q845-C878 PolarHBondContact N-SG 2.9Å
846	I	78.1	Confident	78.6	Confident	47 Å²	47	51.3 Å²	51.3	24%	0.241	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.2	176.5	-55.7	179.4	0	0	0	107.6	S834 V844 Q848 E873 K874	S834-I846 WeakPolarHBondContact CB-O 3.32Å; S834-I846 PolarHBondContact N-O 2.94Å; S834-I846 PolarHBondContact OG-N 2.97Å; V844-I846 HydrophobicContact CG1-CG1 4.15Å; I846-Q848 HydrophobicContact CG2-CG 3.95Å; I846-E873 HydrophobicContact CG2-CB 4.4Å; I846-K874 WeakPolarHBondContact CA-O 3.32Å
847	Q	81.3	Confident	77.9	Confident	31 Å²	31	54.7 Å²	54.7	15%	0.145	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	96.4	165.9	-131.2	-176.3	-5.2	0	0	106.9	Y830 T831 W833 K874	Y830-Q847 HydrophobicContact CD1-CB 4.01Å; Y830-Q847 HydrophobicContact CD1-CG 4.31Å; T831-Q847 WeakPolarHBondContact O-CG 3.46Å; T831-Q847 PolarHBondContact O-NE2 2.81Å; W833-Q847 HydrophobicContact CD2-CB 3.85Å; W833-Q847 HydrophobicContact CD2-CG 3.69Å; W833-Q847 HydrophobicContact CE3-CB 3.56Å; W833-Q847 HydrophobicContact CE3-CG 3.95Å; W833-Q847 HydrophobicContact CG-CG 4.01Å; W833-Q847 HydrophobicContact CH2-CB 4.06Å; W833-Q847 HydrophobicContact CZ2-CB 4.27Å; W833-Q847 HydrophobicContact CZ2-CG 4.38Å; W833-Q847 HydrophobicContact CZ3-CB 3.68Å; W833-Q847 HydrophobicContact CZ3-CG 4.43Å; Q847-K874 HydrophobicContact CB-CB 3.86Å; Q847-K874 PolarHBondContact N-O 3.45Å; Q847-K874 PolarHBondContact O-N 3.1Å; Q847-K874 VanDerWaalsContact O-N 3.15Å
848	Q	80.6	Confident	77.3	Confident	108 Å²	108	52.4 Å²	52.4	51%	0.505	29%	0.29	S	S	.	.			trans	-68.3	152.3	175.4	-68	-173.6	-54	0	0	109.5	Y830 T831 I846	Y830-Q848 WeakPolarHBondContact CA-O 3.35Å; T831-Q848 HydrophobicContact CG2-CB 4.29Å; T831-Q848 PolarHBondContact N-O 2.75Å; T831-Q848 PolarHBondContact OG1-N 2.89Å; T831-Q848 PolarHBondContact OG1-O 3.21Å; I846-Q848 HydrophobicContact CG2-CG 3.95Å
849	V	85.5	Confident	77.2	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.1	175	-170.5	0	0	0	0	108.3	W828 Y830 P871	W828-V849 HydrophobicContact CB-CG1 3.7Å; W828-V849 HydrophobicContact CD2-CG1 4.06Å; W828-V849 HydrophobicContact CE3-CB 4.45Å; W828-V849 HydrophobicContact CE3-CG1 3.57Å; W828-V849 HydrophobicContact CG-CG1 4.16Å; Y830-V849 HydrophobicContact CD1-CG2 3.75Å; Y830-V849 HydrophobicContact CE1-CG2 3.57Å; V849-P871 HydrophobicContact CG1-CG 4.36Å; V849-P871 HydrophobicContact CG2-CB 4.29Å; V849-P871 WeakPolarHBondContact CG2-O 3.23Å
850	V	84.8	Confident	77	Confident	27 Å²	27	48.9 Å²	48.9	16%	0.164	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.9	176.2	-67.7	0	0	0	0	109.6	Q829 T831 K852 V859	Q829-V850 PolarHBondContact N-O 2.81Å; Q829-V850 PolarHBondContact O-N 2.73Å; Q829-V850 VanDerWaalsContact O-O 3.1Å; T831-V850 HydrophobicContact CG2-CB 4.3Å; T831-V850 HydrophobicContact CG2-CG1 3.67Å; T831-V850 HydrophobicContact CG2-CG2 3.67Å; V850-K852 HydrophobicContact CG2-CG 4.23Å; V850-V859 HydrophobicContact CB-CG1 4.06Å; V850-V859 HydrophobicContact CG1-CG1 4.36Å; V850-V859 HydrophobicContact CG2-CG1 4.37Å; V850-V859 HydrophobicContact CG2-CG2 4.17Å
851	C	83.5	Confident	76.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.3	168.5	-173.1	0	0	0	0	108.9	W828 V860 F864 C865	W828-C851 HydrophobicContact CE3-CB 4.29Å; W828-C851 HydrophobicContact CH2-CB 4.49Å; W828-C851 HydrophobicContact CZ3-CB 4.1Å; C851-V860 HydrophobicContact CB-CG2 3.98Å; C851-V860 PolarHBondContact O-N 2.95Å; C851-V860 VanDerWaalsContact SG-CG2 3.53Å; C851-F864 VanDerWaalsContact SG-C 3.56Å; C851-C865 WeakPolarHBondContact CA-SG 3.35Å; C851-C865 HydrophobicContact CB-CB 3.75Å; C851-C865 WeakPolarHBondContact CB-SG 3.46Å; C851-C865 WeakPolarHBondContact SG-CB 3.47Å; C851-C865 PolarHBondContact SG-N 3.16Å; C851-C865 CovalentContact SG-SG 2.03Å; C851-C865 PolarHBondContact SG-SG 3.48Å
852	K	80	Confident	76.6	Confident	46 Å²	46	56.7 Å²	56.7	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.6	175.1	-80.5	-168.9	161.5	-146.7	0	111.9	F826 A827 Q829 V850 L857 S858 V859	F826-K852 WeakPolarHBondContact CA-O 3.43Å; A827-K852 PolarHBondContact N-O 3.18Å; A827-K852 PolarHBondContact O-N 3.22Å; Q829-K852 HydrophobicContact CB-CB 4.38Å; Q829-K852 HydrophobicContact CB-CD 3.97Å; Q829-K852 HydrophobicContact CB-CG 4.3Å; Q829-K852 HydrophobicContact CG-CB 4.25Å; Q829-K852 HydrophobicContact CG-CD 4.32Å; V850-K852 HydrophobicContact CG2-CG 4.23Å; K852-L857 WeakPolarHBondContact CD-O 3.4Å; K852-L857 WeakPolarHBondContact CE-O 3.14Å; K852-L857 PolarHBondContact NZ-O 3.25Å; K852-S858 WeakPolarHBondContact CA-O 3.32Å; K852-S858 WeakPolarHBondContact CB-O 3.17Å; K852-S858 WeakPolarHBondContact CG-O 3.05Å; K852-V859 HydrophobicContact CG-CG2 4.24Å
853	R	78.3	Confident	76.3	Confident	73 Å²	73	60.9 Å²	60.9	28%	0.275	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.2	169.2	-165.3	-171	-58.4	-146.2	3.2	108.6	D699 G825 F826 S855 D856 L857 S858 V860	D699-R853 IonicContact OD2-NH2 3.73Å; G825-R853 CarbonylContact O-C 3.59Å; G825-R853 WeakPolarHBondContact O-CA 3.44Å; F826-R853 HydrophobicContact CD1-CB 3.99Å; F826-R853 HydrophobicContact CD1-CG 4.14Å; F826-R853 HydrophobicContact CE1-CB 3.74Å; F826-R853 HydrophobicContact CE1-CG 3.61Å; F826-R853 HydrophobicContact CZ-CG 4.2Å; R853-S855 VanDerWaalsContact C-N 3.33Å; R853-S855 WeakPolarHBondContact CD-OG 3.16Å; R853-S855 WeakPolarHBondContact CG-OG 3.22Å; R853-S855 PolarHBondContact O-N 2.95Å; R853-D856 WeakPolarHBondContact CB-OD1 3.46Å; R853-D856 WeakPolarHBondContact CD-OD2 3.08Å; R853-D856 IonicContact NE-OD2 3.96Å; R853-L857 VanDerWaalsContact O-CA 3.22Å; R853-L857 WeakPolarHBondContact O-CA 3.47Å; R853-L857 PolarHBondContact O-N 2.71Å; R853-S858 PolarHBondContact N-O 2.81Å; R853-V860 HydrophobicContact CB-CG1 4.22Å
854	Q	74.6	Confident	76	Confident	100 Å²	100	63.9 Å²	63.9	47%	0.467	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.1	-174.5	-72.2	177.5	-41.3	0	0	113.3	S824 G825 A827	S824-Q854 PolarHBondContact O-OE1 3.13Å; G825-Q854 PolarHBondContact O-N 2.91Å; A827-Q854 HydrophobicContact CB-CG 4.18Å
855	S	71.7	Confident	75.8	Confident	100 Å²	100	61.9 Å²	61.9	70%	0.699	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-28	-177.1	55.9	0	0	0	0	114.9	R853	R853-S855 VanDerWaalsContact C-N 3.33Å; R853-S855 WeakPolarHBondContact CD-OG 3.16Å; R853-S855 WeakPolarHBondContact CG-OG 3.22Å; R853-S855 PolarHBondContact O-N 2.95Å
856	D	75.6	Confident	75.7	Confident	88 Å²	88	64.4 Å²	64.4	47%	0.471	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	-0.4	-172.6	54.6	29.6	0	0	0	113.4	R853 S858	R853-D856 WeakPolarHBondContact CB-OD1 3.46Å; R853-D856 WeakPolarHBondContact CD-OD2 3.08Å; R853-D856 IonicContact NE-OD2 3.96Å; D856-S858 PolarHBondContact O-N 3.32Å; D856-S858 VanDerWaalsContact O-N 3.12Å; D856-S858 WeakPolarHBondContact OD1-CB 3.41Å; D856-S858 PolarHBondContact OD1-N 2.65Å; D856-S858 PolarHBondContact OD1-OG 2.99Å
857	L	67.4	Low	75.3	Confident	94 Å²	94	70.1 Å²	70.1	49%	0.492	35%	0.352	S	S	.	.			trans	56.9	19.2	-175	-56.6	173.8	0	0	0	114.1	K852 R853	K852-L857 WeakPolarHBondContact CD-O 3.4Å; K852-L857 WeakPolarHBondContact CE-O 3.14Å; K852-L857 PolarHBondContact NZ-O 3.25Å; R853-L857 VanDerWaalsContact O-CA 3.22Å; R853-L857 WeakPolarHBondContact O-CA 3.47Å; R853-L857 PolarHBondContact O-N 2.71Å
858	S	71.4	Confident	74.9	Confident	42 Å²	42	78 Å²	78	29%	0.294	39%	0.386	S	S	.	.			trans	-64.2	145.1	173	63.6	0	0	0	0	111.3	K852 R853 D856	K852-S858 WeakPolarHBondContact CA-O 3.32Å; K852-S858 WeakPolarHBondContact CB-O 3.17Å; K852-S858 WeakPolarHBondContact CG-O 3.05Å; R853-S858 PolarHBondContact N-O 2.81Å; D856-S858 PolarHBondContact O-N 3.32Å; D856-S858 VanDerWaalsContact O-N 3.12Å; D856-S858 WeakPolarHBondContact OD1-CB 3.41Å; D856-S858 PolarHBondContact OD1-N 2.65Å; D856-S858 PolarHBondContact OD1-OG 2.99Å
859	V	73.4	Confident	74.7	Confident	95 Å²	95	76.1 Å²	76.1	58%	0.576	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.4	173.6	176.6	0	0	0	0	108.5	V850 K852	V850-V859 HydrophobicContact CB-CG1 4.06Å; V850-V859 HydrophobicContact CG1-CG1 4.36Å; V850-V859 HydrophobicContact CG2-CG1 4.37Å; V850-V859 HydrophobicContact CG2-CG2 4.17Å; K852-V859 HydrophobicContact CG-CG2 4.24Å
860	V	76.3	Confident	74.5	Confident	22 Å²	22	79.8 Å²	79.8	13%	0.133	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	166.8	178.9	-59.7	0	0	0	0	110.7	F826 C851 R853 F864	F826-V860 HydrophobicContact CD1-CG2 3.79Å; F826-V860 HydrophobicContact CE1-CG1 4.34Å; F826-V860 HydrophobicContact CE1-CG2 3.98Å; C851-V860 HydrophobicContact CB-CG2 3.98Å; C851-V860 PolarHBondContact O-N 2.95Å; C851-V860 VanDerWaalsContact SG-CG2 3.53Å; R853-V860 HydrophobicContact CB-CG1 4.22Å; V860-F864 HydrophobicContact CB-CD2 3.88Å; V860-F864 HydrophobicContact CB-CE2 4.44Å; V860-F864 HydrophobicContact CG2-CB 3.93Å; V860-F864 HydrophobicContact CG2-CD2 3.94Å; V860-F864 HydrophobicContact CG2-CG 4.26Å
861	Y	64.8	Low	74.4	Confident	123 Å²	123	80.5 Å²	80.5	48%	0.482	41%	0.405	S	S	.	.			trans	-60.3	147	-178.3	-70.9	-78.2	0	0	0	113.3	H863 F864	Y861-H863 PolarHBondContact O-N 2.92Å; Y861-F864 HydrophobicContact CD2-CE2 4.48Å; Y861-F864 WeakPolarHBondContact O-CD2 3.06Å; Y861-F864 PolarHBondContact O-N 3.33Å; Y861-F864 VanDerWaalsContact O-N 3.08Å
862	N	72.7	Confident	74.2	Confident	81 Å²	81	89.5 Å²	89.5	43%	0.433	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-5.6	-175.7	-75.9	-19.4	0	0	0	116	W828	W828-N862 HydrophobicContact CH2-CB 3.88Å; W828-N862 WeakPolarHBondContact CH2-O 3.42Å; W828-N862 HydrophobicContact CZ3-CB 4.46Å; W828-N862 WeakPolarHBondContact CZ3-OD1 3.49Å
863	H	66.4	Low	74.2	Confident	113 Å²	113	91.9 Å²	91.9	52%	0.523	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-15.4	176.8	64.8	-109.1	0	0	0	113.7	Y861 C865	Y861-H863 PolarHBondContact O-N 2.92Å; H863-C865 VanDerWaalsContact C-N 3.26Å; H863-C865 PolarHBondContact O-N 2.95Å
864	F	69.3	Low	74.4	Confident	67 Å²	67	93.1 Å²	93.1	29%	0.294	46%	0.464	S	S	.	.	S	Bend	trans	-76.5	-11.8	175.8	-68	-71.3	0	0	0	113.4	I695 F826 C851 V860 Y861	I695-F864 HydrophobicContact CD1-CE1 4.29Å; I695-F864 HydrophobicContact CD1-CZ 4.02Å; I695-F864 HydrophobicContact CG2-CZ 4.4Å; F826-F864 VanDerWaalsContact CB-O 3.26Å; F826-F864 WeakPolarHBondContact CB-O 3.42Å; F826-F864 HydrophobicContact CD1-CB 3.95Å; F826-F864 HydrophobicContact CD2-CB 4.36Å; F826-F864 HydrophobicContact CE1-CB 4.22Å; F826-F864 HydrophobicContact CE1-CG 4.4Å; F826-F864 HydrophobicContact CE2-CD1 4.4Å; F826-F864 HydrophobicContact CG-CB 4.03Å; F826-F864 HydrophobicContact CZ-CD1 4.25Å; C851-F864 VanDerWaalsContact SG-C 3.56Å; V860-F864 HydrophobicContact CB-CD2 3.88Å; V860-F864 HydrophobicContact CB-CE2 4.44Å; V860-F864 HydrophobicContact CG2-CB 3.93Å; V860-F864 HydrophobicContact CG2-CD2 3.94Å; V860-F864 HydrophobicContact CG2-CG 4.26Å; Y861-F864 HydrophobicContact CD2-CE2 4.48Å; Y861-F864 WeakPolarHBondContact O-CD2 3.06Å; Y861-F864 PolarHBondContact O-N 3.33Å; Y861-F864 VanDerWaalsContact O-N 3.08Å
865	C	77.8	Confident	74.8	Confident	5 Å²	5	97.1 Å²	97.1	3%	0.034	48%	0.475	C	S	.	.	S	Bend	trans	-114.9	138.6	174.6	-66.6	0	0	0	0	109.4	W828 C851 H863 K867	W828-C865 HydrophobicContact CD2-CB 3.71Å; W828-C865 HydrophobicContact CE3-CB 4.34Å; W828-C865 HydrophobicContact CG-CB 4.04Å; W828-C865 HydrophobicContact CH2-CB 4.31Å; W828-C865 HydrophobicContact CZ2-CB 3.68Å; C851-C865 WeakPolarHBondContact CA-SG 3.35Å; C851-C865 HydrophobicContact CB-CB 3.75Å; C851-C865 WeakPolarHBondContact CB-SG 3.46Å; C851-C865 WeakPolarHBondContact SG-CB 3.47Å; C851-C865 PolarHBondContact SG-N 3.16Å; C851-C865 CovalentContact SG-SG 2.03Å; C851-C865 PolarHBondContact SG-SG 3.48Å; H863-C865 VanDerWaalsContact C-N 3.26Å; H863-C865 PolarHBondContact O-N 2.95Å; C865-K867 PolarHBondContact O-N 3.08Å
866	D	76.4	Confident	75.3	Confident	85 Å²	85	97.7 Å²	97.7	46%	0.455	46%	0.462	S	S	.	.			trans	-59	127.5	-177.4	153	56	0	0	0	112.2	W828 K868 S869	W828-D866 PolarHBondContact NE1-O 2.57Å; D866-K868 PolarHBondContact O-N 3.35Å; D866-K868 WeakPolarHBondContact OD1-CB 3.32Å; D866-K868 PolarHBondContact OD1-N 3.17Å; D866-K868 WeakPolarHBondContact OD2-CB 3.16Å; D866-K868 PolarHBondContact OD2-N 3.12Å; D866-S869 PolarHBondContact O-N 3.42Å; D866-S869 PolarHBondContact O-OG 3.43Å; D866-S869 VanDerWaalsContact O-OG 3.04Å; D866-S869 VanDerWaalsContact OD2-CB 3.25Å; D866-S869 WeakPolarHBondContact OD2-CB 3.39Å; D866-S869 PolarHBondContact OD2-N 2.9Å; D866-S869 PolarHBondContact OD2-OG 2.94Å
867	K	69.4	Low	75.5	Confident	166 Å²	166	97.8 Å²	97.8	72%	0.722	47%	0.469	S	S	*	.	S	Bend	trans	-63.2	-25.5	-179.2	-69.2	-176.1	178.4	-179.4	0	113.4	C865	C865-K867 PolarHBondContact O-N 3.08Å
868	K	72.1	Confident	76.2	Confident	197 Å²	197	93.8 Å²	93.8	86%	0.857	45%	0.449	S	S	*	.	S	Bend	trans	-73.6	-36.4	179.8	-61.6	178	179.3	177.8	0	112.5	D866 K870	D866-K868 PolarHBondContact O-N 3.35Å; D866-K868 WeakPolarHBondContact OD1-CB 3.32Å; D866-K868 PolarHBondContact OD1-N 3.17Å; D866-K868 WeakPolarHBondContact OD2-CB 3.16Å; D866-K868 PolarHBondContact OD2-N 3.12Å; K868-K870 VanDerWaalsContact C-N 3.32Å
869	S	77.3	Confident	76.6	Confident	68 Å²	68	95.1 Å²	95.1	48%	0.476	45%	0.452	S	S	.	.	S	Bend	trans	-82.5	-1	177.9	53.4	0	0	0	0	114.2	D866 P871	D866-S869 PolarHBondContact O-N 3.42Å; D866-S869 PolarHBondContact O-OG 3.43Å; D866-S869 VanDerWaalsContact O-OG 3.04Å; D866-S869 VanDerWaalsContact OD2-CB 3.25Å; D866-S869 WeakPolarHBondContact OD2-CB 3.39Å; D866-S869 PolarHBondContact OD2-N 2.9Å; D866-S869 PolarHBondContact OD2-OG 2.94Å; S869-P871 WeakPolarHBondContact O-CD 3.42Å; S869-P871 VanDerWaalsContact O-N 3.15Å
870	K	81.2	Confident	76.7	Confident	84 Å²	84	94.5 Å²	94.5	37%	0.365	45%	0.449	S	S	.	.			trans	-60.8	113.8	179.8	-171.8	177.8	-179.6	-177.1	0	111.2	W828 K868	W828-K870 HydrophobicContact CD2-CB 4.13Å; W828-K870 HydrophobicContact CD2-CG 3.88Å; W828-K870 HydrophobicContact CE3-CD 4.47Å; W828-K870 HydrophobicContact CE3-CG 4.09Å; W828-K870 HydrophobicContact CG-CB 4.48Å; W828-K870 HydrophobicContact CG-CG 4.5Å; W828-K870 HydrophobicContact CH2-CD 3.78Å; W828-K870 HydrophobicContact CH2-CG 4.1Å; W828-K870 HydrophobicContact CZ2-CB 3.86Å; W828-K870 HydrophobicContact CZ2-CD 3.92Å; W828-K870 HydrophobicContact CZ2-CG 3.88Å; W828-K870 HydrophobicContact CZ3-CD 4.07Å; W828-K870 HydrophobicContact CZ3-CG 4.19Å; K868-K870 VanDerWaalsContact C-N 3.32Å
871	P	83.3	Confident	76.8	Confident	41 Å²	41	100.1 Å²	100.1	27%	0.266	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-64.9	152.9	175.1	-19.4	33.2	0	0	0	111.7	W828 Y830 V849 S869	W828-P871 VanDerWaalsContact CB-CD 3.49Å; W828-P871 HydrophobicContact CB-CG 4.19Å; Y830-P871 HydrophobicContact CE2-CB 4.36Å; Y830-P871 VanDerWaalsContact OH-CB 3.24Å; Y830-P871 WeakPolarHBondContact OH-CB 3.32Å; V849-P871 HydrophobicContact CG1-CG 4.36Å; V849-P871 HydrophobicContact CG2-CB 4.29Å; V849-P871 WeakPolarHBondContact CG2-O 3.23Å; S869-P871 WeakPolarHBondContact O-CD 3.42Å; S869-P871 VanDerWaalsContact O-N 3.15Å
872	K	78.8	Confident	77.4	Confident	190 Å²	190	96.8 Å²	96.8	83%	0.826	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-67.5	142.1	170	-66.8	-177.4	179.3	178.8	0	109.8	Y830 K874	Y830-K872 PolarHBondContact OH-O 2.96Å; K872-K874 PolarHBondContact O-N 3.38Å
873	E	80.9	Confident	77.7	Confident	96 Å²	96	94 Å²	94	45%	0.449	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-57.9	130.4	176.3	-63.9	-178.4	-174.9	0	0	110.6	I846	I846-E873 HydrophobicContact CG2-CB 4.4Å
874	K	82.4	Confident	78.4	Confident	99 Å²	99	93 Å²	93	43%	0.43	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.5	178.4	-80.2	172.3	178.5	170.5	0	109.4	Y830 W833 I846 Q847 K872	Y830-K874 HydrophobicContact CD1-CB 4.37Å; Y830-K874 HydrophobicContact CD1-CD 4.01Å; Y830-K874 HydrophobicContact CD1-CG 4.24Å; Y830-K874 HydrophobicContact CE1-CB 4Å; Y830-K874 HydrophobicContact CE1-CD 3.56Å; Y830-K874 HydrophobicContact CE1-CG 3.52Å; Y830-K874 HydrophobicContact CE2-CD 4.15Å; Y830-K874 HydrophobicContact CG-CD 4.47Å; Y830-K874 VanDerWaalsContact CZ-CE 3.46Å; Y830-K874 WeakPolarHBondContact OH-CE 3.23Å; W833-K874 HydrophobicContact CH2-CB 3.76Å; W833-K874 HydrophobicContact CZ3-CB 4.17Å; W833-K874 WeakPolarHBondContact CZ3-O 3.46Å; I846-K874 WeakPolarHBondContact CA-O 3.32Å; Q847-K874 HydrophobicContact CB-CB 3.86Å; Q847-K874 PolarHBondContact N-O 3.45Å; Q847-K874 PolarHBondContact O-N 3.1Å; Q847-K874 VanDerWaalsContact O-N 3.15Å; K872-K874 PolarHBondContact O-N 3.38Å
875	R	81.6	Confident	78.8	Confident	183 Å²	183	90.6 Å²	90.6	69%	0.691	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.8	172.1	-74.3	174.6	151.5	-124.5	-3.9	108.4	V844 Q845	V844-R875 HydrophobicContact CG1-CB 4.04Å; V844-R875 HydrophobicContact CG1-CG 4.02Å; Q845-R875 WeakPolarHBondContact O-CA 3.24Å
876	R	82.8	Confident	79	Confident	113 Å²	113	95.1 Å²	95.1	43%	0.426	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.7	166.2	72.2	179.9	-177.5	-176.9	3.8	110.2	W833 V844 Q845	W833-R876 HydrophobicContact CD2-CG 4.2Å; W833-R876 HydrophobicContact CE3-CG 3.8Å; W833-R876 HydrophobicContact CH2-CB 3.73Å; W833-R876 HydrophobicContact CH2-CG 3.68Å; W833-R876 HydrophobicContact CZ2-CB 4.41Å; W833-R876 HydrophobicContact CZ2-CG 4.12Å; W833-R876 HydrophobicContact CZ3-CB 3.89Å; W833-R876 HydrophobicContact CZ3-CG 3.52Å; V844-R876 WeakPolarHBondContact CA-O 3.46Å; Q845-R876 HydrophobicContact CB-CG 3.84Å; Q845-R876 PolarHBondContact N-O 2.97Å; Q845-R876 PolarHBondContact O-N 2.69Å; Q845-R876 VanDerWaalsContact OE1-CZ 3.24Å
877	S	79.3	Confident	79.4	Confident	90 Å²	90	92.7 Å²	92.7	63%	0.629	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	144.7	161.3	42.9	0	0	0	0	109.7	G843	G843-S877 WeakPolarHBondContact O-CA 3.31Å
878	C	82.8	Confident	80.2	Confident	9 Å²	9	89.5 Å²	89.5	6%	0.061	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.2	178.3	55.3	0	0	0	0	109.2	C836 G843 Q845 T880	C836-C878 VanDerWaalsContact CA-SG 3.51Å; C836-C878 HydrophobicContact CB-CB 3.85Å; C836-C878 WeakPolarHBondContact CB-SG 3.14Å; C836-C878 WeakPolarHBondContact SG-CB 3.22Å; C836-C878 PolarHBondContact SG-O 3.32Å; C836-C878 VanDerWaalsContact SG-O 3.38Å; C836-C878 CovalentContact SG-SG 2.02Å; C836-C878 PolarHBondContact SG-SG 3.15Å; G843-C878 PolarHBondContact N-O 3.5Å; G843-C878 PolarHBondContact O-N 2.85Å; G843-C878 PolarHBondContact O-SG 3.39Å; G843-C878 VanDerWaalsContact O-SG 3.36Å; Q845-C878 HydrophobicContact CB-CB 4.11Å; Q845-C878 HydrophobicContact CG-CB 3.86Å; Q845-C878 VanDerWaalsContact CG-SG 3.6Å; Q845-C878 PolarHBondContact N-SG 2.9Å; C878-T880 PolarHBondContact O-N 2.85Å; C878-T880 VanDerWaalsContact O-N 3.16Å
879	N	79.9	Confident	80.8	Confident	70 Å²	70	82.6 Å²	82.6	37%	0.374	42%	0.417	S	S	.	.			trans	47.4	45.6	-178.4	-56.2	15	0	0	0	111.2	A838 L839 C840 A841 G842 E881	A838-N879 PolarHBondContact O-ND2 2.86Å; L839-N879 WeakPolarHBondContact O-CB 3.49Å; L839-N879 PolarHBondContact O-ND2 3.46Å; C840-N879 CarbonylContact C-O 3.59Å; C840-N879 WeakPolarHBondContact CA-O 3.49Å; A841-N879 PolarHBondContact N-O 2.82Å; G842-N879 PolarHBondContact N-O 3.03Å; N879-E881 PolarHBondContact O-N 3.45Å
880	T	75.4	Confident	80.9	Confident	82 Å²	82	80 Å²	80	50%	0.503	40%	0.4	S	S	.	.			trans	-69.8	-14.2	178.6	43.3	0	0	0	0	112.9	C878	C878-T880 PolarHBondContact O-N 2.85Å; C878-T880 VanDerWaalsContact O-N 3.16Å
881	E	79.1	Confident	81	Confident	141 Å²	141	85 Å²	85	66%	0.659	43%	0.425	S	S	*	.	S	Bend	trans	-53.3	130.8	167.8	-63.3	-51.3	137	0	0	110.7	A841 N879	A841-E881 PolarHBondContact N-O 2.67Å; N879-E881 PolarHBondContact O-N 3.45Å
882	P	75.8	Confident	80.9	Confident	53 Å²	53	85.9 Å²	85.9	34%	0.344	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-53.4	144.8	171.9	-27.1	35.8	0	0	0	111.7	R912 R913 I914	P882-R912 HydrophobicContact CB-CG 3.62Å; P882-R913 CarbonylContact C-O 3.55Å; P882-R913 VanDerWaalsContact CA-O 3.28Å; P882-R913 WeakPolarHBondContact CA-O 3.05Å; P882-I914 HydrophobicContact CB-CG1 4.35Å; P882-I914 HydrophobicContact CG-CG1 4.42Å; P882-I914 HydrophobicContact CG-CG2 4.4Å
883	C	80.6	Confident	80.8	Confident	21 Å²	21	79.2 Å²	79.2	14%	0.142	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-60.2	149.3	177.9	-68.8	0	0	0	0	112.1	C840 R912 R913	C840-C883 HydrophobicContact CB-CB 3.86Å; C840-C883 WeakPolarHBondContact CB-SG 3.31Å; C840-C883 WeakPolarHBondContact SG-CA 3.21Å; C840-C883 WeakPolarHBondContact SG-CB 3.36Å; C840-C883 CovalentContact SG-SG 2.03Å; C840-C883 PolarHBondContact SG-SG 3.04Å; C883-R912 WeakPolarHBondContact O-CG 3.46Å; C883-R912 PolarHBondContact O-NE 3.09Å; C883-R913 HydrophobicContact CB-CB 4.32Å; C883-R913 PolarHBondContact N-O 3.46Å
884	S	80.1	Confident	80.6	Confident	92 Å²	92	83.1 Å²	83.1	64%	0.643	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-48.7	129.7	161.9	-55.5	0	0	0	0	108.6	N886	S884-N886 PolarHBondContact O-N 2.99Å; S884-N886 PolarHBondContact O-ND2 3.49Å
885	P	79	Confident	80.3	Confident	18 Å²	18	79.5 Å²	79.5	12%	0.117	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-60.1	128.2	-178.6	-20.3	32.8	0	0	0	109.3	C910 R912 L922 A926 C927	P885-C910 WeakPolarHBondContact CB-SG 3.25Å; P885-R912 HydrophobicContact CG-CB 4.49Å; P885-R912 VanDerWaalsContact CG-NH2 3.25Å; P885-L922 HydrophobicContact CB-CD1 4.13Å; P885-L922 HydrophobicContact CG-CD1 3.78Å; P885-A926 HydrophobicContact CB-CB 4.22Å; P885-A926 WeakPolarHBondContact CB-O 3.18Å; P885-A926 HydrophobicContact CG-CB 4.09Å; P885-A926 WeakPolarHBondContact CG-O 2.88Å; P885-C927 VanDerWaalsContact CB-SG 3.56Å
886	N	81.2	Confident	80.1	Confident	99 Å²	99	75 Å²	75	53%	0.529	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.2	176.6	-83.5	-51.8	0	0	0	109.2	S884 W888 K911 C927	S884-N886 PolarHBondContact O-N 2.99Å; S884-N886 PolarHBondContact O-ND2 3.49Å; N886-W888 PolarHBondContact O-N 2.81Å; N886-K911 PolarHBondContact N-O 3.37Å; N886-K911 VanDerWaalsContact N-O 3.17Å; N886-K911 PolarHBondContact O-N 3.4Å; N886-C927 PolarHBondContact N-SG 2.79Å
887	W	84.9	Confident	79.2	Confident	35 Å²	35	76.9 Å²	76.9	13%	0.133	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	104.1	173.7	-67.6	112.7	0	0	0	110.1	V908 C910 D924 C927 S929 R931 P932	W887-V908 HydrophobicContact CD2-CG1 4.33Å; W887-V908 HydrophobicContact CE3-CG1 3.63Å; W887-V908 HydrophobicContact CZ3-CG1 4.15Å; W887-C910 HydrophobicContact CE3-CB 4.23Å; W887-C910 HydrophobicContact CH2-CB 4.35Å; W887-C910 HydrophobicContact CZ3-CB 3.96Å; W887-D924 HydrophobicContact CH2-CB 3.72Å; W887-D924 WeakPolarHBondContact CH2-O 2.89Å; W887-D924 WeakPolarHBondContact CH2-OD1 3.35Å; W887-D924 WeakPolarHBondContact CZ2-O 3.35Å; W887-D924 HydrophobicContact CZ3-CB 4.38Å; W887-D924 VanDerWaalsContact CZ3-OD1 3.24Å; W887-D924 WeakPolarHBondContact CZ3-OD1 3.43Å; W887-C927 HydrophobicContact CD2-CB 3.82Å; W887-C927 HydrophobicContact CE3-CB 4.43Å; W887-C927 HydrophobicContact CG-CB 4.22Å; W887-C927 HydrophobicContact CH2-CB 4.29Å; W887-C927 HydrophobicContact CZ2-CB 3.64Å; W887-S929 VanDerWaalsContact CD1-OG 3.31Å; W887-S929 PolarHBondContact NE1-O 3.21Å; W887-R931 HydrophobicContact CD2-CB 4.42Å; W887-R931 HydrophobicContact CD2-CG 4.14Å; W887-R931 HydrophobicContact CE3-CG 4.02Å; W887-R931 HydrophobicContact CH2-CB 4.03Å; W887-R931 HydrophobicContact CH2-CG 3.67Å; W887-R931 HydrophobicContact CZ2-CB 3.67Å; W887-R931 HydrophobicContact CZ2-CG 3.81Å; W887-R931 HydrophobicContact CZ3-CG 3.79Å; W887-P932 HydrophobicContact CB-CG 3.61Å; W887-P932 VanDerWaalsContact CD1-CD 3.49Å; W887-P932 HydrophobicContact CG-CG 4.02Å
888	W	85.8	Confident	78.5	Confident	99 Å²	99	76.8 Å²	76.8	38%	0.375	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.7	167.6	-178.3	93.4	0	0	0	107.9	N886 G890 E907 L909 K911	N886-W888 PolarHBondContact O-N 2.81Å; W888-G890 VanDerWaalsContact CH2-CA 3.44Å; W888-G890 VanDerWaalsContact CZ3-CA 3.46Å; W888-E907 HydrophobicContact CZ3-CB 4.3Å; W888-E907 WeakPolarHBondContact CZ3-OE2 3.07Å; W888-L909 PolarHBondContact N-O 3.35Å; W888-L909 PolarHBondContact O-N 2.87Å; W888-K911 HydrophobicContact CB-CB 3.88Å; W888-K911 HydrophobicContact CB-CD 3.68Å; W888-K911 HydrophobicContact CB-CG 3.77Å; W888-K911 HydrophobicContact CD2-CD 3.85Å; W888-K911 HydrophobicContact CE3-CD 4.15Å; W888-K911 VanDerWaalsContact CE3-CE 3.44Å; W888-K911 HydrophobicContact CG-CD 3.64Å; W888-K911 HydrophobicContact CG-CG 4.3Å; W888-K911 VanDerWaalsContact CZ3-NZ 3.3Å
889	T	84.9	Confident	77.5	Confident	51 Å²	51	76.8 Å²	76.8	31%	0.313	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119	174.6	68.5	0	0	0	0	108.2	E907 V908 P932	T889-E907 CarbonylContact C-O 3.38Å; T889-E907 WeakPolarHBondContact CA-O 3.48Å; T889-V908 HydrophobicContact CG2-CG1 4.5Å; T889-V908 HydrophobicContact CG2-CG2 4.17Å; T889-P932 HydrophobicContact CG2-CB 3.84Å; T889-P932 HydrophobicContact CG2-CG 4.01Å
890	G	78.5	Confident	76.5	Confident	13 Å²	13	75.8 Å²	75.8	13%	0.134	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	178.3	171.1	0	0	0	0	0	112	W888 E907	W888-G890 VanDerWaalsContact CH2-CA 3.44Å; W888-G890 VanDerWaalsContact CZ3-CA 3.46Å; G890-E907 PolarHBondContact N-O 2.91Å
891	E	84.1	Confident	76.1	Confident	190 Å²	190	73.7 Å²	73.7	89%	0.888	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	149.4	168	-61.2	-165.3	148.2	0	0	110.1	R906	E891-R906 WeakPolarHBondContact O-CB 3.32Å
892	W	81.7	Confident	75.7	Confident	60 Å²	60	67.1 Å²	67.1	23%	0.227	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	136.3	170	-69.3	114.1	0	0	0	109.6	R904 R906 S933 E936	W892-R904 HydrophobicContact CB-CB 4.26Å; W892-R904 HydrophobicContact CB-CG 4.08Å; W892-R904 VanDerWaalsContact CD1-CZ 3.46Å; W892-R904 HydrophobicContact CD2-CG 3.81Å; W892-R904 HydrophobicContact CE3-CB 4.24Å; W892-R904 HydrophobicContact CE3-CG 3.72Å; W892-R904 HydrophobicContact CG-CG 4Å; W892-R904 HydrophobicContact CZ3-CG 4.42Å; W892-R904 VanDerWaalsContact CZ3-O 3.22Å; W892-R904 WeakPolarHBondContact CZ3-O 3.46Å; W892-R906 HydrophobicContact CD2-CB 3.99Å; W892-R906 HydrophobicContact CD2-CG 4.17Å; W892-R906 HydrophobicContact CE3-CB 3.5Å; W892-R906 HydrophobicContact CE3-CG 3.65Å; W892-R906 HydrophobicContact CH2-CG 3.93Å; W892-R906 VanDerWaalsContact CH2-NE 3.25Å; W892-R906 HydrophobicContact CZ2-CG 4.43Å; W892-R906 VanDerWaalsContact CZ2-CZ 3.41Å; W892-R906 HydrophobicContact CZ3-CB 3.89Å; W892-R906 HydrophobicContact CZ3-CG 3.51Å; W892-S933 WeakPolarHBondContact CH2-O 2.85Å; W892-E936 VanDerWaalsContact CE2-OE2 3.3Å; W892-E936 HydrophobicContact CE3-CB 4.47Å; W892-E936 HydrophobicContact CH2-CB 3.37Å; W892-E936 HydrophobicContact CZ2-CB 3.52Å; W892-E936 HydrophobicContact CZ2-CG 4.26Å; W892-E936 WeakPolarHBondContact CZ2-OE2 3.34Å; W892-E936 HydrophobicContact CZ3-CB 3.88Å; W892-E936 PolarHBondContact NE1-OE2 2.76Å
893	S	76.9	Confident	75.6	Confident	49 Å²	49	69 Å²	69	34%	0.343	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-54.5	162.3	166.6	74.7	0	0	0	0	110.8	C895 T905	S893-C895 PolarHBondContact O-N 3.12Å; S893-T905 WeakPolarHBondContact CB-O 2.98Å; S893-T905 PolarHBondContact N-O 3.11Å; S893-T905 PolarHBondContact OG-N 2.98Å; S893-T905 PolarHBondContact OG-O 3.45Å; S893-T905 PolarHBondContact OG-OG1 3.32Å
894	E	75.5	Confident	75.6	Confident	179 Å²	179	72 Å²	72	84%	0.836	38%	0.383	S	S	*	.	S	Bend	trans	-47.5	139.5	154.7	-72.8	-60	160.5	0	0	110.1	S896	E894-S896 PolarHBondContact O-N 3.44Å
895	C	77.4	Confident	75.6	Confident	23 Å²	23	71 Å²	71	16%	0.155	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-62.9	125.7	-177.4	-169	0	0	0	0	108.7	S893 R897 G902 C938	S893-C895 PolarHBondContact O-N 3.12Å; C895-R897 WeakPolarHBondContact CB-O 3.46Å; C895-R897 CarbonylContact O-C 3.25Å; C895-R897 VanDerWaalsContact O-C 3.29Å; C895-R897 PolarHBondContact O-N 3.12Å; C895-R897 PolarHBondContact SG-O 2.04Å; C895-G902 VanDerWaalsContact SG-CA 3.59Å; C895-C938 HydrophobicContact CB-CB 4.01Å; C895-C938 WeakPolarHBondContact CB-SG 3.3Å; C895-C938 VanDerWaalsContact SG-C 3.52Å; C895-C938 WeakPolarHBondContact SG-CB 3.06Å; C895-C938 CovalentContact SG-SG 2.02Å; C895-C938 PolarHBondContact SG-SG 3.4Å
896	S	76	Confident	75.8	Confident	87 Å²	87	72.4 Å²	72.4	61%	0.608	38%	0.376	S	S	*	.	S	Bend	trans	-57.9	-14.4	-174	54.8	0	0	0	0	114.7	E894 L903	E894-S896 PolarHBondContact O-N 3.44Å; S896-L903 WeakPolarHBondContact CB-O 3.43Å; S896-L903 PolarHBondContact N-O 3.43Å; S896-L903 VanDerWaalsContact N-O 3.08Å; S896-L903 PolarHBondContact OG-N 2.97Å; S896-L903 PolarHBondContact OG-O 3.06Å
897	R	65.3	Low	75.8	Confident	154 Å²	154	73 Å²	73	58%	0.581	38%	0.375	S	S	*	.	S	Bend	trans	-132	133.8	156.4	-56.7	177	177.3	160.8	-4.7	107.8	C895 C899	C895-R897 WeakPolarHBondContact CB-O 3.46Å; C895-R897 CarbonylContact O-C 3.25Å; C895-R897 VanDerWaalsContact O-C 3.29Å; C895-R897 PolarHBondContact O-N 3.12Å; C895-R897 PolarHBondContact SG-O 2.04Å; R897-C899 WeakPolarHBondContact CB-O 3.21Å; R897-C899 PolarHBondContact O-N 3.05Å; R897-C899 VanDerWaalsContact O-N 3.1Å
898	S	64	Low	75.9	Confident	88 Å²	88	71.6 Å²	71.6	62%	0.615	37%	0.371	S	S	*	.	S	Bend	trans	-62.8	-15.7	174.4	48.8	0	0	0	0	113.3	S939 H941	S898-S939 VanDerWaalsContact C-CB 3.45Å; S898-S939 WeakPolarHBondContact O-CB 3.44Å; S898-S939 PolarHBondContact O-OG 2.69Å; S898-H941 PolarHBondContact O-CE1 3.06Å; S898-H941 PolarHBondContact O-NE2 2.85Å
899	C	61.9	Low	75.8	Confident	9 Å²	9	68.6 Å²	68.6	6%	0.061	36%	0.362	C	S	.	.	S	Bend	trans	-160.8	177.7	-169.9	50.9	0	0	0	0	111.1	R897 G901 H941 C943	R897-C899 WeakPolarHBondContact CB-O 3.21Å; R897-C899 PolarHBondContact O-N 3.05Å; R897-C899 VanDerWaalsContact O-N 3.1Å; C899-G901 VanDerWaalsContact C-N 3.27Å; C899-G901 PolarHBondContact O-N 3.22Å; C899-H941 CarbonylContact C-O 3.36Å; C899-H941 WeakPolarHBondContact CA-O 3.31Å; C899-H941 WeakPolarHBondContact CB-O 3.17Å; C899-C943 HydrophobicContact CB-CB 3.84Å; C899-C943 WeakPolarHBondContact CB-SG 3.07Å; C899-C943 WeakPolarHBondContact SG-CA 3.23Å; C899-C943 WeakPolarHBondContact SG-CB 3.47Å; C899-C943 CovalentContact SG-SG 2.03Å; C899-C943 PolarHBondContact SG-SG 2.77Å
900	N	58.8	Low	75.8	Confident	49 Å²	49	66.2 Å²	66.2	26%	0.262	35%	0.347	S	S	.	.	S	Bend	trans	56.2	31	-178.9	-75.8	-2.9	0	0	0	114.9	H941 S942 C943 G973 E974	N900-H941 PolarHBondContact N-O 2.94Å; N900-S942 WeakPolarHBondContact OD1-CA 3.46Å; N900-C943 PolarHBondContact ND2-SG 3.43Å; N900-C943 PolarHBondContact OD1-N 3.26Å; N900-G973 PolarHBondContact ND2-O 3.29Å; N900-E974 WeakPolarHBondContact ND2-CG 3.31Å; N900-E974 WeakPolarHBondContact OD1-CG 3.45Å
901	G	66.1	Low	76	Confident	37 Å²	37	67.2 Å²	67.2	38%	0.381	35%	0.348	S	S	.	.	S	Bend	trans	71.3	92.6	-177.4	0	0	0	0	0	111.7	C899 S939	C899-G901 VanDerWaalsContact C-N 3.27Å; C899-G901 PolarHBondContact O-N 3.22Å; G901-S939 PolarHBondContact N-O 3.26Å
902	G	70.9	Confident	75.9	Confident	4 Å²	4	62.5 Å²	62.5	4%	0.041	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	171.3	169.2	0	0	0	0	0	111.9	C895 C938	C895-G902 VanDerWaalsContact SG-CA 3.59Å; G902-C938 PolarHBondContact N-O 3.06Å; G902-C938 PolarHBondContact O-N 2.65Å
903	L	74.9	Confident	75.7	Confident	91 Å²	91	64.5 Å²	64.5	48%	0.476	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.4	168.4	-69	170.1	0	0	0	108.2	S896 T935 E936 C938	S896-L903 WeakPolarHBondContact CB-O 3.43Å; S896-L903 PolarHBondContact N-O 3.43Å; S896-L903 VanDerWaalsContact N-O 3.08Å; S896-L903 PolarHBondContact OG-N 2.97Å; S896-L903 PolarHBondContact OG-O 3.06Å; L903-T935 HydrophobicContact CB-CG2 3.66Å; L903-T935 HydrophobicContact CD1-CG2 4.12Å; L903-T935 HydrophobicContact CD2-CG2 3.89Å; L903-T935 HydrophobicContact CG-CG2 4.09Å; L903-E936 WeakPolarHBondContact CA-O 3.18Å; L903-C938 VanDerWaalsContact C-SG 3.55Å
904	R	79.3	Confident	75.7	Confident	86 Å²	86	64.5 Å²	64.5	33%	0.325	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	133.1	170.6	56.4	-171.3	-169.7	174	-1.8	107.7	W892 T935 E936 C938	W892-R904 HydrophobicContact CB-CB 4.26Å; W892-R904 HydrophobicContact CB-CG 4.08Å; W892-R904 VanDerWaalsContact CD1-CZ 3.46Å; W892-R904 HydrophobicContact CD2-CG 3.81Å; W892-R904 HydrophobicContact CE3-CB 4.24Å; W892-R904 HydrophobicContact CE3-CG 3.72Å; W892-R904 HydrophobicContact CG-CG 4Å; W892-R904 HydrophobicContact CZ3-CG 4.42Å; W892-R904 VanDerWaalsContact CZ3-O 3.22Å; W892-R904 WeakPolarHBondContact CZ3-O 3.46Å; R904-T935 CarbonylContact O-C 3.49Å; R904-T935 WeakPolarHBondContact O-CA 3.36Å; R904-E936 HydrophobicContact CG-CB 4.23Å; R904-E936 IonicContact CZ-OE2 2.77Å; R904-E936 PolarHBondContact N-O 3.13Å; R904-E936 IonicContact NE-OE2 3.48Å; R904-E936 PolarHBondContact NE-OE2 2.86Å; R904-E936 IonicContact NH2-OE2 2.69Å; R904-E936 PolarHBondContact NH2-OE2 2.49Å; R904-E936 PolarHBondContact O-N 3.36Å; R904-C938 HydrophobicContact CB-CB 4.44Å; R904-C938 VanDerWaalsContact CB-SG 3.51Å; R904-C938 HydrophobicContact CG-CB 3.99Å; R904-C938 PolarHBondContact N-SG 2.92Å
905	T	80.1	Confident	75.5	Confident	69 Å²	69	57.9 Å²	57.9	42%	0.423	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.6	177.9	47.3	0	0	0	0	109.2	S893 F934 T935	S893-T905 WeakPolarHBondContact CB-O 2.98Å; S893-T905 PolarHBondContact N-O 3.11Å; S893-T905 PolarHBondContact OG-N 2.98Å; S893-T905 PolarHBondContact OG-O 3.45Å; S893-T905 PolarHBondContact OG-OG1 3.32Å; T905-F934 CarbonylContact C-O 3.58Å; T905-F934 WeakPolarHBondContact CA-O 2.77Å; T905-T935 HydrophobicContact CG2-CG2 4.07Å
906	R	83.3	Confident	74.8	Confident	49 Å²	49	59.5 Å²	59.5	19%	0.185	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.3	170.5	67.4	-168.2	169.3	175.6	-17.5	108.8	E891 W892 V908 S933 F934	E891-R906 WeakPolarHBondContact O-CB 3.32Å; W892-R906 HydrophobicContact CD2-CB 3.99Å; W892-R906 HydrophobicContact CD2-CG 4.17Å; W892-R906 HydrophobicContact CE3-CB 3.5Å; W892-R906 HydrophobicContact CE3-CG 3.65Å; W892-R906 HydrophobicContact CH2-CG 3.93Å; W892-R906 VanDerWaalsContact CH2-NE 3.25Å; W892-R906 HydrophobicContact CZ2-CG 4.43Å; W892-R906 VanDerWaalsContact CZ2-CZ 3.41Å; W892-R906 HydrophobicContact CZ3-CB 3.89Å; W892-R906 HydrophobicContact CZ3-CG 3.51Å; R906-V908 HydrophobicContact CG-CG2 3.73Å; R906-V908 PolarHBondContact O-N 3.22Å; R906-S933 VanDerWaalsContact CZ-O 3.29Å; R906-S933 PolarHBondContact NE-O 2.84Å; R906-S933 PolarHBondContact NH2-O 3.12Å; R906-S933 PolarHBondContact NH2-OG 3.46Å; R906-F934 PolarHBondContact N-O 2.83Å
907	E	81.5	Confident	74.1	Confident	110 Å²	110	62.2 Å²	62.2	51%	0.514	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	121.2	170.1	-146.8	-170.2	-150.5	0	0	108.6	W888 T889 G890 L909	W888-E907 HydrophobicContact CZ3-CB 4.3Å; W888-E907 WeakPolarHBondContact CZ3-OE2 3.07Å; T889-E907 CarbonylContact C-O 3.38Å; T889-E907 WeakPolarHBondContact CA-O 3.48Å; G890-E907 PolarHBondContact N-O 2.91Å; E907-L909 VanDerWaalsContact CD-CD1 3.4Å; E907-L909 HydrophobicContact CG-CD1 4.1Å; E907-L909 HydrophobicContact CG-CD2 4.07Å; E907-L909 HydrophobicContact CG-CG 3.8Å; E907-L909 VanDerWaalsContact OE2-CD1 3.26Å; E907-L909 WeakPolarHBondContact OE2-CD1 3.46Å
908	V	86.7	Confident	74.5	Confident	6 Å²	6	60 Å²	60	4%	0.036	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	91.1	175.6	180	0	0	0	0	107.7	W887 T889 R906 R931 P932 F934	W887-V908 HydrophobicContact CD2-CG1 4.33Å; W887-V908 HydrophobicContact CE3-CG1 3.63Å; W887-V908 HydrophobicContact CZ3-CG1 4.15Å; T889-V908 HydrophobicContact CG2-CG1 4.5Å; T889-V908 HydrophobicContact CG2-CG2 4.17Å; R906-V908 HydrophobicContact CG-CG2 3.73Å; R906-V908 PolarHBondContact O-N 3.22Å; V908-R931 HydrophobicContact CG1-CG 3.82Å; V908-R931 PolarHBondContact O-NH2 2.91Å; V908-P932 HydrophobicContact CG1-CB 4.38Å; V908-P932 HydrophobicContact CG1-CG 4.5Å; V908-F934 HydrophobicContact CB-CB 4.02Å; V908-F934 HydrophobicContact CG2-CB 3.6Å
909	L	83.9	Confident	75.2	Confident	37 Å²	37	60.6 Å²	60.6	19%	0.194	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136	-177.2	-63.2	-177.5	0	0	0	109.8	W888 E907 K911 V921	W888-L909 PolarHBondContact N-O 3.35Å; W888-L909 PolarHBondContact O-N 2.87Å; E907-L909 VanDerWaalsContact CD-CD1 3.4Å; E907-L909 HydrophobicContact CG-CD1 4.1Å; E907-L909 HydrophobicContact CG-CD2 4.07Å; E907-L909 HydrophobicContact CG-CG 3.8Å; E907-L909 VanDerWaalsContact OE2-CD1 3.26Å; E907-L909 WeakPolarHBondContact OE2-CD1 3.46Å; L909-K911 HydrophobicContact CB-CG 4.03Å; L909-K911 PolarHBondContact O-N 3.49Å; L909-K911 VanDerWaalsContact O-N 3.13Å; L909-V921 HydrophobicContact CB-CG1 4.25Å; L909-V921 HydrophobicContact CD1-CG1 4.08Å; L909-V921 HydrophobicContact CD1-CG2 3.8Å; L909-V921 HydrophobicContact CD2-CG1 4.16Å; L909-V921 HydrophobicContact CG-CG1 4.4Å
910	C	84.1	Confident	76.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	106	162.2	-174.3	0	0	0	0	108.6	P885 W887 L922 D923 C927	P885-C910 WeakPolarHBondContact CB-SG 3.25Å; W887-C910 HydrophobicContact CE3-CB 4.23Å; W887-C910 HydrophobicContact CH2-CB 4.35Å; W887-C910 HydrophobicContact CZ3-CB 3.96Å; C910-L922 PolarHBondContact O-N 3.43Å; C910-D923 WeakPolarHBondContact CB-O 2.85Å; C910-C927 WeakPolarHBondContact CA-SG 3.3Å; C910-C927 HydrophobicContact CB-CB 3.89Å; C910-C927 WeakPolarHBondContact CB-SG 3.1Å; C910-C927 WeakPolarHBondContact SG-CB 2.96Å; C910-C927 PolarHBondContact SG-N 2.91Å; C910-C927 CovalentContact SG-SG 2.03Å; C910-C927 PolarHBondContact SG-SG 2.85Å
911	K	82.9	Confident	77.2	Confident	35 Å²	35	67 Å²	67	15%	0.152	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.1	178.6	-70.3	-169.9	-174	172.2	0	111	N886 W888 L909 V921	N886-K911 PolarHBondContact N-O 3.37Å; N886-K911 VanDerWaalsContact N-O 3.17Å; N886-K911 PolarHBondContact O-N 3.4Å; W888-K911 HydrophobicContact CB-CB 3.88Å; W888-K911 HydrophobicContact CB-CD 3.68Å; W888-K911 HydrophobicContact CB-CG 3.77Å; W888-K911 HydrophobicContact CD2-CD 3.85Å; W888-K911 HydrophobicContact CE3-CD 4.15Å; W888-K911 VanDerWaalsContact CE3-CE 3.44Å; W888-K911 HydrophobicContact CG-CD 3.64Å; W888-K911 HydrophobicContact CG-CG 4.3Å; W888-K911 VanDerWaalsContact CZ3-NZ 3.3Å; L909-K911 HydrophobicContact CB-CG 4.03Å; L909-K911 PolarHBondContact O-N 3.49Å; L909-K911 VanDerWaalsContact O-N 3.13Å; K911-V921 HydrophobicContact CG-CG2 4.39Å
912	R	82.5	Confident	78.1	Confident	90 Å²	90	67 Å²	67	34%	0.34	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.3	165.8	167.6	173.8	-74.4	159.2	2.2	107.6	P882 C883 P885 I914 K920 L922	P882-R912 HydrophobicContact CB-CG 3.62Å; C883-R912 WeakPolarHBondContact O-CG 3.46Å; C883-R912 PolarHBondContact O-NE 3.09Å; P885-R912 HydrophobicContact CG-CB 4.49Å; P885-R912 VanDerWaalsContact CG-NH2 3.25Å; R912-I914 HydrophobicContact CG-CG1 4.25Å; R912-I914 PolarHBondContact O-N 3.29Å; R912-K920 PolarHBondContact N-O 2.74Å; R912-K920 PolarHBondContact O-N 3.34Å; R912-L922 HydrophobicContact CB-CD1 3.49Å; R912-L922 VanDerWaalsContact CB-CD1 3.49Å; R912-L922 HydrophobicContact CB-CG 3.88Å; R912-L922 HydrophobicContact CG-CD1 4.34Å
913	R	78.3	Confident	78.7	Confident	103 Å²	103	72 Å²	72	39%	0.389	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	123.7	166.4	-165.1	-179.3	-179	166.9	9.6	108.2	A841 P882 C883 S915 A916 E919	A841-R913 HydrophobicContact CB-CB 3.77Å; A841-R913 HydrophobicContact CB-CG 3.51Å; A841-R913 WeakPolarHBondContact CB-O 3.48Å; P882-R913 CarbonylContact C-O 3.55Å; P882-R913 VanDerWaalsContact CA-O 3.28Å; P882-R913 WeakPolarHBondContact CA-O 3.05Å; C883-R913 HydrophobicContact CB-CB 4.32Å; C883-R913 PolarHBondContact N-O 3.46Å; R913-S915 VanDerWaalsContact CG-O 3.26Å; R913-S915 WeakPolarHBondContact CG-O 3.47Å; R913-S915 PolarHBondContact NE-O 2.9Å; R913-S915 VanDerWaalsContact NE-O 3.08Å; R913-A916 PolarHBondContact NH2-O 2.97Å; R913-E919 HydrophobicContact CB-CG 4.19Å; R913-E919 HydrophobicContact CG-CG 3.91Å
914	I	77.4	Confident	79	Confident	48 Å²	48	70.5 Å²	70.5	25%	0.246	36%	0.355	C	S	.	.			trans	-97.3	-43	-179.2	-66.5	-174	0	0	0	109.9	P882 R912 E918 K920	P882-I914 HydrophobicContact CB-CG1 4.35Å; P882-I914 HydrophobicContact CG-CG1 4.42Å; P882-I914 HydrophobicContact CG-CG2 4.4Å; R912-I914 HydrophobicContact CG-CG1 4.25Å; R912-I914 PolarHBondContact O-N 3.29Å; I914-E918 HydrophobicContact CB-CG 4.47Å; I914-E918 PolarHBondContact N-O 2.73Å; I914-K920 HydrophobicContact CD1-CB 3.5Å; I914-K920 VanDerWaalsContact CD1-CB 3.5Å; I914-K920 HydrophobicContact CD1-CD 3.76Å; I914-K920 HydrophobicContact CD1-CG 4.25Å; I914-K920 HydrophobicContact CG1-CB 4.01Å
915	S	70.9	Confident	78.9	Confident	40 Å²	40	71.2 Å²	71.2	28%	0.28	37%	0.374	S	S	.	.	S	Bend	trans	-137.3	-178	177.5	79.9	0	0	0	0	112.2	A841 R913 V917 E918	A841-S915 CarbonylContact O-C 3.53Å; A841-S915 VanDerWaalsContact O-CA 3.26Å; A841-S915 WeakPolarHBondContact O-CA 3.31Å; R913-S915 VanDerWaalsContact CG-O 3.26Å; R913-S915 WeakPolarHBondContact CG-O 3.47Å; R913-S915 PolarHBondContact NE-O 2.9Å; R913-S915 VanDerWaalsContact NE-O 3.08Å; S915-V917 PolarHBondContact O-N 2.94Å; S915-V917 VanDerWaalsContact O-N 3.13Å; S915-V917 PolarHBondContact OG-N 2.75Å; S915-E918 PolarHBondContact N-O 2.91Å; S915-E918 VanDerWaalsContact N-O 3.07Å; S915-E918 WeakPolarHBondContact OG-CB 3.42Å; S915-E918 PolarHBondContact OG-N 3.47Å
916	A	62.7	Low	78.9	Confident	58 Å²	58	69.5 Å²	69.5	48%	0.479	37%	0.367	S	S	.	.	S	Bend	trans	-59.3	-24.5	176.9	0	0	0	0	0	112.8	A841 R913	A841-A916 PolarHBondContact O-N 2.98Å; R913-A916 PolarHBondContact NH2-O 2.97Å
917	V	61.4	Low	78.9	Confident	143 Å²	143	67.5 Å²	67.5	87%	0.867	36%	0.36	S	S	*	.	S	Bend	trans	-117.9	-25	-177.2	-172.3	0	0	0	0	112.4	S915	S915-V917 PolarHBondContact O-N 2.94Å; S915-V917 VanDerWaalsContact O-N 3.13Å; S915-V917 PolarHBondContact OG-N 2.75Å
918	E	73.8	Confident	78.6	Confident	109 Å²	109	68.3 Å²	68.3	51%	0.509	38%	0.378	S	S	.	.			trans	-101	117.1	-173.7	-168.2	-175	169.9	0	0	112.2	I914 S915	I914-E918 HydrophobicContact CB-CG 4.47Å; I914-E918 PolarHBondContact N-O 2.73Å; S915-E918 PolarHBondContact N-O 2.91Å; S915-E918 VanDerWaalsContact N-O 3.07Å; S915-E918 WeakPolarHBondContact OG-CB 3.42Å; S915-E918 PolarHBondContact OG-N 3.47Å
919	E	77.9	Confident	78	Confident	99 Å²	99	71.1 Å²	71.1	46%	0.463	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.1	167.5	-72.3	-171.3	172	0	0	110.2	R913	R913-E919 HydrophobicContact CB-CG 4.19Å; R913-E919 HydrophobicContact CG-CG 3.91Å
920	K	80.1	Confident	77.7	Confident	117 Å²	117	74 Å²	74	51%	0.509	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.2	175.3	-174.4	166.8	-175.6	171.8	0	110.3	R912 I914 L922	R912-K920 PolarHBondContact N-O 2.74Å; R912-K920 PolarHBondContact O-N 3.34Å; I914-K920 HydrophobicContact CD1-CB 3.5Å; I914-K920 VanDerWaalsContact CD1-CB 3.5Å; I914-K920 HydrophobicContact CD1-CD 3.76Å; I914-K920 HydrophobicContact CD1-CG 4.25Å; I914-K920 HydrophobicContact CG1-CB 4.01Å; K920-L922 HydrophobicContact CD-CD2 4.35Å; K920-L922 HydrophobicContact CG-CD2 4.16Å
921	V	82.8	Confident	77.7	Confident	77 Å²	77	79.4 Å²	79.4	47%	0.467	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.6	166.1	-174.7	0	0	0	0	108.3	L909 K911	L909-V921 HydrophobicContact CB-CG1 4.25Å; L909-V921 HydrophobicContact CD1-CG1 4.08Å; L909-V921 HydrophobicContact CD1-CG2 3.8Å; L909-V921 HydrophobicContact CD2-CG1 4.16Å; L909-V921 HydrophobicContact CG-CG1 4.4Å; K911-V921 HydrophobicContact CG-CG2 4.39Å
922	L	83.9	Confident	77.7	Confident	37 Å²	37	79.6 Å²	79.6	19%	0.194	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	169.6	174.5	-61.5	-173.7	0	0	0	110	P885 C910 R912 K920 A926	P885-L922 HydrophobicContact CB-CD1 4.13Å; P885-L922 HydrophobicContact CG-CD1 3.78Å; C910-L922 PolarHBondContact O-N 3.43Å; R912-L922 HydrophobicContact CB-CD1 3.49Å; R912-L922 VanDerWaalsContact CB-CD1 3.49Å; R912-L922 HydrophobicContact CB-CG 3.88Å; R912-L922 HydrophobicContact CG-CD1 4.34Å; K920-L922 HydrophobicContact CD-CD2 4.35Å; K920-L922 HydrophobicContact CG-CD2 4.16Å; L922-A926 HydrophobicContact CB-CB 4.07Å; L922-A926 HydrophobicContact CD1-CB 3.9Å
923	D	84.7	Confident	77.5	Confident	109 Å²	109	78.4 Å²	78.4	58%	0.583	46%	0.458	S	S	*	.			trans	-59.8	146.4	167.1	-173.7	-94.1	0	0	0	111.5	C910 S925 A926	C910-D923 WeakPolarHBondContact CB-O 2.85Å; D923-S925 PolarHBondContact O-N 2.75Å; D923-S925 WeakPolarHBondContact OD1-CB 3.13Å; D923-S925 PolarHBondContact OD1-N 3.22Å; D923-S925 PolarHBondContact OD1-OG 2.79Å; D923-A926 WeakPolarHBondContact O-CB 3.39Å; D923-A926 PolarHBondContact O-N 3.48Å
924	D	80.4	Confident	77.7	Confident	58 Å²	58	79.1 Å²	79.1	31%	0.31	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-54.8	-32.7	-179.4	-77.4	-25.5	0	0	0	113.2	W887 A926 C927 R931	W887-D924 HydrophobicContact CH2-CB 3.72Å; W887-D924 WeakPolarHBondContact CH2-O 2.89Å; W887-D924 WeakPolarHBondContact CH2-OD1 3.35Å; W887-D924 WeakPolarHBondContact CZ2-O 3.35Å; W887-D924 HydrophobicContact CZ3-CB 4.38Å; W887-D924 VanDerWaalsContact CZ3-OD1 3.24Å; W887-D924 WeakPolarHBondContact CZ3-OD1 3.43Å; D924-A926 PolarHBondContact O-N 3.32Å; D924-C927 PolarHBondContact O-N 2.8Å; D924-R931 VanDerWaalsContact CG-CZ 3.49Å; D924-R931 IonicContact OD1-CZ 3.65Å; D924-R931 IonicContact OD1-NH1 3.2Å; D924-R931 IonicContact OD1-NH2 3.51Å; D924-R931 PolarHBondContact OD1-NH2 3.47Å; D924-R931 IonicContact OD2-CZ 2.71Å; D924-R931 IonicContact OD2-NH1 3.39Å; D924-R931 PolarHBondContact OD2-NH1 3.28Å; D924-R931 IonicContact OD2-NH2 2.77Å; D924-R931 PolarHBondContact OD2-NH2 2.91Å
925	S	77.8	Confident	77.8	Confident	102 Å²	102	78.9 Å²	78.9	71%	0.713	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-65.8	-17.5	177.8	63.1	0	0	0	0	114.5	D923 C927	D923-S925 PolarHBondContact O-N 2.75Å; D923-S925 WeakPolarHBondContact OD1-CB 3.13Å; D923-S925 PolarHBondContact OD1-N 3.22Å; D923-S925 PolarHBondContact OD1-OG 2.79Å; S925-C927 VanDerWaalsContact C-N 3.27Å; S925-C927 PolarHBondContact O-N 3.45Å
926	A	79.2	Confident	78.2	Confident	33 Å²	33	80.1 Å²	80.1	27%	0.273	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-75	-15.2	179.4	0	0	0	0	0	113.3	P885 L922 D923 D924	P885-A926 HydrophobicContact CB-CB 4.22Å; P885-A926 WeakPolarHBondContact CB-O 3.18Å; P885-A926 HydrophobicContact CG-CB 4.09Å; P885-A926 WeakPolarHBondContact CG-O 2.88Å; L922-A926 HydrophobicContact CB-CB 4.07Å; L922-A926 HydrophobicContact CD1-CB 3.9Å; D923-A926 WeakPolarHBondContact O-CB 3.39Å; D923-A926 PolarHBondContact O-N 3.48Å; D924-A926 PolarHBondContact O-N 3.32Å
927	C	83.9	Confident	78.8	Confident	7 Å²	7	82.4 Å²	82.4	5%	0.047	48%	0.476	C	S	.	.			trans	-101.9	98.6	-178.7	-76.8	0	0	0	0	111.1	P885 N886 W887 C910 D924 S925 S929	P885-C927 VanDerWaalsContact CB-SG 3.56Å; N886-C927 PolarHBondContact N-SG 2.79Å; W887-C927 HydrophobicContact CD2-CB 3.82Å; W887-C927 HydrophobicContact CE3-CB 4.43Å; W887-C927 HydrophobicContact CG-CB 4.22Å; W887-C927 HydrophobicContact CH2-CB 4.29Å; W887-C927 HydrophobicContact CZ2-CB 3.64Å; C910-C927 WeakPolarHBondContact CA-SG 3.3Å; C910-C927 HydrophobicContact CB-CB 3.89Å; C910-C927 WeakPolarHBondContact CB-SG 3.1Å; C910-C927 WeakPolarHBondContact SG-CB 2.96Å; C910-C927 PolarHBondContact SG-N 2.91Å; C910-C927 CovalentContact SG-SG 2.03Å; C910-C927 PolarHBondContact SG-SG 2.85Å; D924-C927 PolarHBondContact O-N 2.8Å; S925-C927 VanDerWaalsContact C-N 3.27Å; S925-C927 PolarHBondContact O-N 3.45Å; C927-S929 VanDerWaalsContact C-N 3.26Å; C927-S929 PolarHBondContact O-N 2.03Å
928	S	76.2	Confident	79.1	Confident	127 Å²	127	76.5 Å²	76.5	89%	0.888	44%	0.441	S	S	*	.			trans	-71.8	-9	-170	-43	0	0	0	0	116
929	S	73.5	Confident	78.4	Confident	65 Å²	65	72.7 Å²	72.7	46%	0.455	43%	0.426	S	S	.	.	S	Bend	trans	-84.4	157.3	174	46.3	0	0	0	0	111.1	W887 C927 R931	W887-S929 VanDerWaalsContact CD1-OG 3.31Å; W887-S929 PolarHBondContact NE1-O 3.21Å; C927-S929 VanDerWaalsContact C-N 3.26Å; C927-S929 PolarHBondContact O-N 2.03Å; S929-R931 PolarHBondContact O-N 2.86Å
930	A	77.1	Confident	77.4	Confident	97 Å²	97	75.8 Å²	75.8	80%	0.802	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-59.3	127.4	179.3	0	0	0	0	0	111.1	P932	A930-P932 WeakPolarHBondContact O-CD 3.41Å
931	R	84.4	Confident	76.2	Confident	114 Å²	114	75.5 Å²	75.5	43%	0.43	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-57.2	121.3	-178.1	-172.5	-179.3	-165.4	153	19.1	110.6	W887 V908 D924 S929	W887-R931 HydrophobicContact CD2-CB 4.42Å; W887-R931 HydrophobicContact CD2-CG 4.14Å; W887-R931 HydrophobicContact CE3-CG 4.02Å; W887-R931 HydrophobicContact CH2-CB 4.03Å; W887-R931 HydrophobicContact CH2-CG 3.67Å; W887-R931 HydrophobicContact CZ2-CB 3.67Å; W887-R931 HydrophobicContact CZ2-CG 3.81Å; W887-R931 HydrophobicContact CZ3-CG 3.79Å; V908-R931 HydrophobicContact CG1-CG 3.82Å; V908-R931 PolarHBondContact O-NH2 2.91Å; D924-R931 VanDerWaalsContact CG-CZ 3.49Å; D924-R931 IonicContact OD1-CZ 3.65Å; D924-R931 IonicContact OD1-NH1 3.2Å; D924-R931 IonicContact OD1-NH2 3.51Å; D924-R931 PolarHBondContact OD1-NH2 3.47Å; D924-R931 IonicContact OD2-CZ 2.71Å; D924-R931 IonicContact OD2-NH1 3.39Å; D924-R931 PolarHBondContact OD2-NH1 3.28Å; D924-R931 IonicContact OD2-NH2 2.77Å; D924-R931 PolarHBondContact OD2-NH2 2.91Å; S929-R931 PolarHBondContact O-N 2.86Å
932	P	82.4	Confident	74.8	Confident	38 Å²	38	75.4 Å²	75.4	25%	0.247	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-56.3	148.4	172.9	-26.4	35.1	0	0	0	111.3	W887 T889 V908 A930 F934	W887-P932 HydrophobicContact CB-CG 3.61Å; W887-P932 VanDerWaalsContact CD1-CD 3.49Å; W887-P932 HydrophobicContact CG-CG 4.02Å; T889-P932 HydrophobicContact CG2-CB 3.84Å; T889-P932 HydrophobicContact CG2-CG 4.01Å; V908-P932 HydrophobicContact CG1-CB 4.38Å; V908-P932 HydrophobicContact CG1-CG 4.5Å; A930-P932 WeakPolarHBondContact O-CD 3.41Å; P932-F934 PolarHBondContact O-N 3.19Å; P932-F934 VanDerWaalsContact O-N 3.09Å
933	S	78.9	Confident	73.6	Confident	66 Å²	66	75.1 Å²	75.1	46%	0.462	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-55.5	119.5	175.2	53.9	0	0	0	0	110.5	W892 R906 T935	W892-S933 WeakPolarHBondContact CH2-O 2.85Å; R906-S933 VanDerWaalsContact CZ-O 3.29Å; R906-S933 PolarHBondContact NE-O 2.84Å; R906-S933 PolarHBondContact NH2-O 3.12Å; R906-S933 PolarHBondContact NH2-OG 3.46Å; S933-T935 WeakPolarHBondContact CB-O 3.03Å; S933-T935 PolarHBondContact O-N 3.06Å
934	F	81.6	Confident	72.5	Confident	118 Å²	118	74 Å²	74	52%	0.518	45%	0.448	S	S	.	.	S	Bend	trans	-79.8	-1.6	172	72.2	-87.5	0	0	0	112.3	T905 R906 V908 P932	T905-F934 CarbonylContact C-O 3.58Å; T905-F934 WeakPolarHBondContact CA-O 2.77Å; R906-F934 PolarHBondContact N-O 2.83Å; V908-F934 HydrophobicContact CB-CB 4.02Å; V908-F934 HydrophobicContact CG2-CB 3.6Å; P932-F934 PolarHBondContact O-N 3.19Å; P932-F934 VanDerWaalsContact O-N 3.09Å
935	T	80.7	Confident	71.9	Confident	42 Å²	42	72.6 Å²	72.6	26%	0.258	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.5	-177.7	-45.6	0	0	0	0	110	L903 R904 T905 S933	L903-T935 HydrophobicContact CB-CG2 3.66Å; L903-T935 HydrophobicContact CD1-CG2 4.12Å; L903-T935 HydrophobicContact CD2-CG2 3.89Å; L903-T935 HydrophobicContact CG-CG2 4.09Å; R904-T935 CarbonylContact O-C 3.49Å; R904-T935 WeakPolarHBondContact O-CA 3.36Å; T905-T935 HydrophobicContact CG2-CG2 4.07Å; S933-T935 WeakPolarHBondContact CB-O 3.03Å; S933-T935 PolarHBondContact O-N 3.06Å
936	E	79.4	Confident	71.6	Confident	67 Å²	67	74.8 Å²	74.8	31%	0.313	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.7	176.3	-177.9	-175.3	-134.6	0	0	110.8	W892 L903 R904	W892-E936 VanDerWaalsContact CE2-OE2 3.3Å; W892-E936 HydrophobicContact CE3-CB 4.47Å; W892-E936 HydrophobicContact CH2-CB 3.37Å; W892-E936 HydrophobicContact CZ2-CB 3.52Å; W892-E936 HydrophobicContact CZ2-CG 4.26Å; W892-E936 WeakPolarHBondContact CZ2-OE2 3.34Å; W892-E936 HydrophobicContact CZ3-CB 3.88Å; W892-E936 PolarHBondContact NE1-OE2 2.76Å; L903-E936 WeakPolarHBondContact CA-O 3.18Å; R904-E936 HydrophobicContact CG-CB 4.23Å; R904-E936 IonicContact CZ-OE2 2.77Å; R904-E936 PolarHBondContact N-O 3.13Å; R904-E936 IonicContact NE-OE2 3.48Å; R904-E936 PolarHBondContact NE-OE2 2.86Å; R904-E936 IonicContact NH2-OE2 2.69Å; R904-E936 PolarHBondContact NH2-OE2 2.49Å; R904-E936 PolarHBondContact O-N 3.36Å
937	P	74.3	Confident	71.6	Confident	106 Å²	106	74.8 Å²	74.8	69%	0.688	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	134	173	27.7	-35.1	0	0	0	111.7
938	C	67.3	Low	71.3	Confident	19 Å²	19	78.4 Å²	78.4	13%	0.128	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.8	-179.1	51	0	0	0	0	111.3	C895 G902 L903 R904	C895-C938 HydrophobicContact CB-CB 4.01Å; C895-C938 WeakPolarHBondContact CB-SG 3.3Å; C895-C938 VanDerWaalsContact SG-C 3.52Å; C895-C938 WeakPolarHBondContact SG-CB 3.06Å; C895-C938 CovalentContact SG-SG 2.02Å; C895-C938 PolarHBondContact SG-SG 3.4Å; G902-C938 PolarHBondContact N-O 3.06Å; G902-C938 PolarHBondContact O-N 2.65Å; L903-C938 VanDerWaalsContact C-SG 3.55Å; R904-C938 HydrophobicContact CB-CB 4.44Å; R904-C938 VanDerWaalsContact CB-SG 3.51Å; R904-C938 HydrophobicContact CG-CB 3.99Å; R904-C938 PolarHBondContact N-SG 2.92Å
939	S	59.3	Low	71.3	Confident	29 Å²	29	73.8 Å²	73.8	20%	0.203	42%	0.422	C	S	.	.			trans	50.7	60	-179.6	-71.3	0	0	0	0	114.9	S898 G901 H941	S898-S939 VanDerWaalsContact C-CB 3.45Å; S898-S939 WeakPolarHBondContact O-CB 3.44Å; S898-S939 PolarHBondContact O-OG 2.69Å; G901-S939 PolarHBondContact N-O 3.26Å; S939-H941 PolarHBondContact O-N 2.72Å; S939-H941 PolarHBondContact OG-CE1 2.79Å
940	N	57.2	Low	71.7	Confident	164 Å²	164	74.4 Å²	74.4	88%	0.877	42%	0.42	S	S	*	.			trans	-74.6	43	173.3	-163.4	37.7	0	0	0	113
941	H	54.9	Low	71.9	Confident	111 Å²	111	77 Å²	77	51%	0.514	42%	0.42	S	S	.	.	S	Bend	trans	-135.7	139.2	179.2	58.1	-95.4	0	0	0	109.8	S898 C899 N900 S939	S898-H941 PolarHBondContact O-CE1 3.06Å; S898-H941 PolarHBondContact O-NE2 2.85Å; C899-H941 CarbonylContact C-O 3.36Å; C899-H941 WeakPolarHBondContact CA-O 3.31Å; C899-H941 WeakPolarHBondContact CB-O 3.17Å; N900-H941 PolarHBondContact N-O 2.94Å; S939-H941 PolarHBondContact O-N 2.72Å; S939-H941 PolarHBondContact OG-CE1 2.79Å
942	S	54.7	Low	71.7	Confident	75 Å²	75	74.7 Å²	74.7	52%	0.524	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-65.4	146.8	-172.8	-62.5	0	0	0	0	113.1	N900 E974	N900-S942 WeakPolarHBondContact OD1-CA 3.46Å; S942-E974 WeakPolarHBondContact CB-OE1 3.26Å; S942-E974 PolarHBondContact OG-OE1 2.08Å
943	C	57	Low	71.6	Confident	30 Å²	30	75.2 Å²	75.2	20%	0.203	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-68	134.2	-176.8	-74.8	0	0	0	0	112.9	C899 N900	C899-C943 HydrophobicContact CB-CB 3.84Å; C899-C943 WeakPolarHBondContact CB-SG 3.07Å; C899-C943 WeakPolarHBondContact SG-CA 3.23Å; C899-C943 WeakPolarHBondContact SG-CB 3.47Å; C899-C943 CovalentContact SG-SG 2.03Å; C899-C943 PolarHBondContact SG-SG 2.77Å; N900-C943 PolarHBondContact ND2-SG 3.43Å; N900-C943 PolarHBondContact OD1-N 3.26Å
944	P	62.2	Low	71.4	Confident	87 Å²	87	80.4 Å²	80.4	57%	0.565	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-63.7	140.8	173.9	28.2	-34	0	0	0	110.2
945	P	67.9	Low	71.1	Confident	27 Å²	27	75.9 Å²	75.9	18%	0.175	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-62	141.2	177	-31.2	41.2	0	0	0	114.3	K971 L979 K983 C984 P985	P945-K971 VanDerWaalsContact CA-O 3.23Å; P945-K971 WeakPolarHBondContact CA-O 3.44Å; P945-K971 WeakPolarHBondContact CB-O 3.45Å; P945-L979 HydrophobicContact CB-CD1 3.82Å; P945-L979 HydrophobicContact CG-CD1 3.46Å; P945-L979 VanDerWaalsContact CG-CD1 3.46Å; P945-K983 HydrophobicContact CB-CB 4.37Å; P945-K983 HydrophobicContact CG-CB 4.16Å; P945-C984 WeakPolarHBondContact CB-SG 3.48Å; P945-C984 PolarHBondContact O-SG 2.9Å; P945-C984 VanDerWaalsContact O-SG 3.35Å; P945-P985 WeakPolarHBondContact O-CD 3.06Å
946	E	71.3	Confident	70.4	Confident	149 Å²	149	78.1 Å²	78.1	70%	0.696	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	155.2	-177.2	-64	-162	147	0	0	113.5	L948 K971 C984	E946-L948 PolarHBondContact O-N 3.2Å; E946-K971 PolarHBondContact N-O 2.68Å; E946-K971 VanDerWaalsContact N-O 3.08Å; E946-K971 PolarHBondContact O-N 2.74Å; E946-C984 PolarHBondContact N-SG 2.89Å; E946-C984 PolarHBondContact O-SG 2.93Å
947	W	79.6	Confident	69.4	Low	33 Å²	33	78.5 Å²	78.5	13%	0.125	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	102.4	179.4	-70.2	112.1	0	0	0	112	A949 V968 L969 C970 D981 C984 P985 R989 P990	W947-A949 PolarHBondContact O-N 2.68Å; W947-V968 HydrophobicContact CD2-CG1 4.43Å; W947-V968 HydrophobicContact CE3-CG1 3.81Å; W947-V968 HydrophobicContact CZ3-CG1 4.39Å; W947-L969 CarbonylContact C-O 3.47Å; W947-C970 HydrophobicContact CE3-CB 4.17Å; W947-C970 HydrophobicContact CZ3-CB 4.02Å; W947-D981 HydrophobicContact CH2-CB 3.81Å; W947-D981 VanDerWaalsContact CH2-O 3.25Å; W947-D981 WeakPolarHBondContact CH2-O 3.41Å; W947-D981 WeakPolarHBondContact CZ2-O 3.44Å; W947-D981 HydrophobicContact CZ3-CB 4.29Å; W947-D981 WeakPolarHBondContact CZ3-OD1 3.04Å; W947-C984 HydrophobicContact CD2-CB 3.61Å; W947-C984 HydrophobicContact CE3-CB 4.15Å; W947-C984 HydrophobicContact CG-CB 4Å; W947-C984 HydrophobicContact CH2-CB 4.24Å; W947-C984 HydrophobicContact CZ2-CB 3.68Å; W947-C984 HydrophobicContact CZ3-CB 4.45Å; W947-P985 PolarHBondContact NE1-O 3.31Å; W947-R989 HydrophobicContact CD2-CB 4.18Å; W947-R989 HydrophobicContact CD2-CG 3.89Å; W947-R989 HydrophobicContact CE3-CG 4.11Å; W947-R989 HydrophobicContact CG-CB 4.48Å; W947-R989 HydrophobicContact CG-CG 4.47Å; W947-R989 HydrophobicContact CH2-CG 4.06Å; W947-R989 HydrophobicContact CZ2-CB 3.94Å; W947-R989 HydrophobicContact CZ2-CG 3.84Å; W947-R989 HydrophobicContact CZ3-CG 4.19Å; W947-P990 VanDerWaalsContact CB-CD 3.48Å; W947-P990 HydrophobicContact CB-CG 4.18Å
948	L	78.3	Confident	68.8	Low	83 Å²	83	77.7 Å²	77.7	44%	0.435	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	106.8	168	-175.9	64.6	0	0	0	109.9	E946 L950 L969 K971	E946-L948 PolarHBondContact O-N 3.2Å; L948-L950 HydrophobicContact CD2-CD2 3.99Å; L948-L950 HydrophobicContact CG-CD2 4.1Å; L948-L969 PolarHBondContact N-O 3.36Å; L948-L969 PolarHBondContact O-N 3.19Å; L948-K971 HydrophobicContact CB-CG 3.76Å; L948-K971 HydrophobicContact CD2-CG 4.15Å
949	A	75.8	Confident	68.7	Low	30 Å²	30	77.8 Å²	77.8	25%	0.248	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.3	165.2	0	0	0	0	0	109.6	W947 V968 P990	W947-A949 PolarHBondContact O-N 2.68Å; A949-V968 HydrophobicContact CB-CG2 4.2Å; A949-P990 HydrophobicContact CB-CB 3.82Å; A949-P990 HydrophobicContact CB-CG 3.94Å
950	L	81.4	Confident	69	Low	77 Å²	77	77 Å²	77	40%	0.403	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-75.1	173.8	170	-57.6	-173.2	0	0	0	110.5	L948 R966 V967 L969	L948-L950 HydrophobicContact CD2-CD2 3.99Å; L948-L950 HydrophobicContact CG-CD2 4.1Å; L950-R966 WeakPolarHBondContact O-CB 3.11Å; L950-R966 VanDerWaalsContact O-CD 3.31Å; L950-R966 WeakPolarHBondContact O-CD 3.07Å; L950-V967 HydrophobicContact CD1-CB 4.18Å; L950-V967 PolarHBondContact N-O 2.84Å; L950-L969 HydrophobicContact CD1-CD1 4.24Å
951	D	81	Confident	69.5	Low	153 Å²	153	74.7 Å²	74.7	82%	0.818	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-59.9	156.6	179.6	-68.1	-62.3	0	0	0	113.5	R966	D951-R966 VanDerWaalsContact O-CB 3.26Å; D951-R966 WeakPolarHBondContact O-CB 3.43Å
952	W	81.6	Confident	70.3	Confident	64 Å²	64	69.4 Å²	69.4	24%	0.242	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-75.2	137.1	174.2	-66.8	101.3	0	0	0	110.9	R964 R966 T991 V994	W952-R964 HydrophobicContact CB-CB 4.47Å; W952-R964 HydrophobicContact CB-CG 4.3Å; W952-R964 HydrophobicContact CD2-CG 4.05Å; W952-R964 HydrophobicContact CE3-CB 4.25Å; W952-R964 HydrophobicContact CE3-CG 3.76Å; W952-R964 HydrophobicContact CG-CG 4.31Å; W952-R964 HydrophobicContact CZ3-CG 4.43Å; W952-R964 WeakPolarHBondContact CZ3-O 3.47Å; W952-R966 HydrophobicContact CD2-CB 4.06Å; W952-R966 HydrophobicContact CD2-CG 4.03Å; W952-R966 HydrophobicContact CE3-CB 3.75Å; W952-R966 HydrophobicContact CE3-CG 3.74Å; W952-R966 HydrophobicContact CH2-CG 3.91Å; W952-R966 HydrophobicContact CZ2-CG 4.2Å; W952-R966 HydrophobicContact CZ3-CB 4.15Å; W952-R966 HydrophobicContact CZ3-CG 3.68Å; W952-T991 VanDerWaalsContact CH2-O 3.23Å; W952-T991 WeakPolarHBondContact CH2-O 3.21Å; W952-V994 HydrophobicContact CH2-CB 3.67Å; W952-V994 HydrophobicContact CH2-CG2 3.43Å; W952-V994 VanDerWaalsContact CH2-CG2 3.43Å; W952-V994 HydrophobicContact CZ2-CB 4.11Å; W952-V994 HydrophobicContact CZ2-CG2 3.78Å; W952-V994 HydrophobicContact CZ3-CB 4.05Å; W952-V994 HydrophobicContact CZ3-CG2 4.27Å
953	S	79.1	Confident	71.4	Confident	50 Å²	50	69.2 Å²	69.2	35%	0.35	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-53.5	162	161.2	76.8	0	0	0	0	110.9	R964 H965	S953-R964 WeakPolarHBondContact O-CB 3.33Å; S953-H965 WeakPolarHBondContact CB-O 3.29Å; S953-H965 PolarHBondContact N-O 3.31Å; S953-H965 PolarHBondContact OG-N 3.05Å; S953-H965 PolarHBondContact OG-O 3.23Å
954	E	74.4	Confident	72.4	Confident	174 Å²	174	72.5 Å²	72.5	81%	0.813	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-55.8	156	161.8	-59.7	-166.6	157	0	0	111.1
955	C	75.1	Confident	73.3	Confident	23 Å²	23	72.5 Å²	72.5	16%	0.155	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-76.9	124.7	178.1	-166.5	0	0	0	0	109.9	P957 S958 C996 N997	C955-P957 CarbonylContact C-O 3.55Å; C955-P957 CarbonylContact O-C 3.58Å; C955-P957 VanDerWaalsContact O-C 3.24Å; C955-S958 PolarHBondContact O-N 3.24Å; C955-C996 VanDerWaalsContact CA-SG 3.59Å; C955-C996 HydrophobicContact CB-CB 3.9Å; C955-C996 WeakPolarHBondContact CB-SG 3.37Å; C955-C996 WeakPolarHBondContact SG-CB 3.02Å; C955-C996 CovalentContact SG-SG 2.02Å; C955-C996 PolarHBondContact SG-SG 3.06Å; C955-N997 WeakPolarHBondContact CB-ND2 3.44Å; C955-N997 VanDerWaalsContact SG-CG 3.53Å; C955-N997 PolarHBondContact SG-ND2 3.03Å; C955-N997 VanDerWaalsContact SG-ND2 3.35Å
956	T	67.3	Low	73.8	Confident	89 Å²	89	74 Å²	74	55%	0.546	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-116	127.6	177.6	50.9	0	0	0	0	110.9	G962 Y963	T956-G962 CarbonylContact O-C 3.48Å; T956-G962 WeakPolarHBondContact O-CA 3.34Å; T956-Y963 PolarHBondContact N-O 3.16Å; T956-Y963 PolarHBondContact O-N 2.77Å; T956-Y963 PolarHBondContact OG1-O 2.03Å
957	P	57.4	Low	74.1	Confident	76 Å²	76	71.1 Å²	71.1	49%	0.494	39%	0.385	S	S	.	.	S	Bend	cis	-63.8	161.2	-13.8	29.2	-36.9	0	0	0	113.8	C955 C959 N997	C955-P957 CarbonylContact C-O 3.55Å; C955-P957 CarbonylContact O-C 3.58Å; C955-P957 VanDerWaalsContact O-C 3.24Å; P957-C959 WeakPolarHBondContact CG-O 3.38Å; P957-C959 PolarHBondContact O-N 3.01Å; P957-N997 PolarHBondContact O-ND2 3.18Å
958	S	62.1	Low	74.3	Confident	89 Å²	89	69.9 Å²	69.9	62%	0.622	38%	0.381	S	S	*	.	S	Bend	trans	-71.1	-10.3	-177.8	50.8	0	0	0	0	114.7	C955 N997	C955-S958 PolarHBondContact O-N 3.24Å; S958-N997 WeakPolarHBondContact CA-ND2 3.34Å; S958-N997 PolarHBondContact O-ND2 3.41Å
959	C	66.3	Low	74.2	Confident	20 Å²	20	68.2 Å²	68.2	14%	0.135	37%	0.372	C	S	.	.	S	Bend	trans	-144.8	157.9	168.5	61.1	0	0	0	0	109.7	P957 C1001	P957-C959 WeakPolarHBondContact CG-O 3.38Å; P957-C959 PolarHBondContact O-N 3.01Å; C959-C1001 HydrophobicContact CB-CB 3.96Å; C959-C1001 WeakPolarHBondContact CB-SG 3.4Å; C959-C1001 VanDerWaalsContact SG-CA 3.57Å; C959-C1001 WeakPolarHBondContact SG-CB 3.49Å; C959-C1001 CovalentContact SG-SG 2.04Å; C959-C1001 PolarHBondContact SG-SG 3.28Å
960	G	64.4	Low	74.3	Confident	13 Å²	13	66.8 Å²	66.8	13%	0.134	36%	0.36	C	S	.	.	S	Bend	trans	72.8	179.4	-168.6	0	0	0	0	0	113.3	G962 N997 Q999	G960-G962 PolarHBondContact O-N 2.8Å; G960-N997 WeakPolarHBondContact O-CB 3.07Å; G960-Q999 WeakPolarHBondContact CA-O 3.48Å; G960-Q999 PolarHBondContact N-O 2.66Å
961	P	66.9	Low	74	Confident	115 Å²	115	65.5 Å²	65.5	75%	0.747	35%	0.352	S	S	*	.	S	Bend	trans	-69	104.2	-171.9	27.6	-34.9	0	0	0	112.5	N997	P961-N997 WeakPolarHBondContact CA-O 3.46Å
962	G	71.8	Confident	73.4	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-179.3	-175.4	0	0	0	0	0	115.2	T956 G960 R995 C996	T956-G962 CarbonylContact O-C 3.48Å; T956-G962 WeakPolarHBondContact O-CA 3.34Å; G960-G962 PolarHBondContact O-N 2.8Å; G962-R995 WeakPolarHBondContact O-CA 3.07Å; G962-C996 CarbonylContact C-O 3.57Å; G962-C996 WeakPolarHBondContact CA-O 3.46Å; G962-C996 PolarHBondContact N-O 2.98Å; G962-C996 PolarHBondContact O-N 2.91Å; G962-C996 VanDerWaalsContact O-O 3.08Å
963	Y	78.9	Confident	72.4	Confident	70 Å²	70	58.1 Å²	58.1	28%	0.275	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.6	173.7	-67.5	-95.2	0	0	0	110.8	T956 R993 V994 R995	T956-Y963 PolarHBondContact N-O 3.16Å; T956-Y963 PolarHBondContact O-N 2.77Å; T956-Y963 PolarHBondContact OG1-O 2.03Å; Y963-R993 HydrophobicContact CD1-CG 3.87Å; Y963-R993 VanDerWaalsContact CD1-NE 3.27Å; Y963-R993 VanDerWaalsContact CD2-NH2 3.29Å; Y963-R993 HydrophobicContact CG-CG 4.48Å; Y963-V994 WeakPolarHBondContact CA-O 3.47Å; Y963-R995 HydrophobicContact CD1-CG 3.88Å; Y963-R995 HydrophobicContact CE1-CB 4.45Å; Y963-R995 HydrophobicContact CE1-CG 3.32Å; Y963-R995 PolarHBondContact OH-NE 2.02Å
964	R	78.1	Confident	71.3	Confident	99 Å²	99	61.6 Å²	61.6	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.3	165.8	60.4	-176.2	-170.2	166.9	-1.9	109.8	W952 S953 R993 V994 C996	W952-R964 HydrophobicContact CB-CB 4.47Å; W952-R964 HydrophobicContact CB-CG 4.3Å; W952-R964 HydrophobicContact CD2-CG 4.05Å; W952-R964 HydrophobicContact CE3-CB 4.25Å; W952-R964 HydrophobicContact CE3-CG 3.76Å; W952-R964 HydrophobicContact CG-CG 4.31Å; W952-R964 HydrophobicContact CZ3-CG 4.43Å; W952-R964 WeakPolarHBondContact CZ3-O 3.47Å; S953-R964 WeakPolarHBondContact O-CB 3.33Å; R964-R993 WeakPolarHBondContact O-CA 3.15Å; R964-V994 PolarHBondContact N-O 2.94Å; R964-V994 PolarHBondContact O-N 2.62Å; R964-C996 HydrophobicContact CG-CB 4.34Å; R964-C996 PolarHBondContact N-SG 2.82Å
965	H	81	Confident	70.5	Confident	87 Å²	87	56.5 Å²	56.5	40%	0.403	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.1	-172	-71.4	-115.8	0	0	0	109.2	S953 S992 R993	S953-H965 WeakPolarHBondContact CB-O 3.29Å; S953-H965 PolarHBondContact N-O 3.31Å; S953-H965 PolarHBondContact OG-N 3.05Å; S953-H965 PolarHBondContact OG-O 3.23Å; H965-S992 CarbonylContact C-O 3.59Å; H965-S992 VanDerWaalsContact CA-O 3.31Å; H965-S992 WeakPolarHBondContact CA-O 3.11Å; H965-R993 VanDerWaalsContact CE1-CD 3.44Å; H965-R993 WeakPolarHBondContact CE1-CD 3.21Å; H965-R993 PolarHBondContact CE1-NE 3.38Å; H965-R993 PolarHBondContact NE2-NE 2.98Å
966	R	78	Confident	69.7	Low	60 Å²	60	57.6 Å²	57.6	23%	0.226	34%	0.338	C	S	.	.			trans	-139.3	148	171.5	67.3	179.2	168.8	178.6	-8.8	111.5	L950 D951 W952 V968 T991 S992	L950-R966 WeakPolarHBondContact O-CB 3.11Å; L950-R966 VanDerWaalsContact O-CD 3.31Å; L950-R966 WeakPolarHBondContact O-CD 3.07Å; D951-R966 VanDerWaalsContact O-CB 3.26Å; D951-R966 WeakPolarHBondContact O-CB 3.43Å; W952-R966 HydrophobicContact CD2-CB 4.06Å; W952-R966 HydrophobicContact CD2-CG 4.03Å; W952-R966 HydrophobicContact CE3-CB 3.75Å; W952-R966 HydrophobicContact CE3-CG 3.74Å; W952-R966 HydrophobicContact CH2-CG 3.91Å; W952-R966 HydrophobicContact CZ2-CG 4.2Å; W952-R966 HydrophobicContact CZ3-CB 4.15Å; W952-R966 HydrophobicContact CZ3-CG 3.68Å; R966-V968 HydrophobicContact CG-CG2 4.07Å; R966-T991 PolarHBondContact NE-O 3.36Å; R966-T991 PolarHBondContact NH2-O 2.87Å; R966-T991 VanDerWaalsContact NH2-O 3.1Å; R966-S992 PolarHBondContact N-O 2.86Å; R966-S992 WeakPolarHBondContact O-CB 3.13Å
967	V	78.2	Confident	69.8	Low	87 Å²	87	58.2 Å²	58.2	53%	0.527	34%	0.338	S	S	.	.			trans	-78.2	134.2	173.3	-172.7	0	0	0	0	108.4	L950 L969	L950-V967 HydrophobicContact CD1-CB 4.18Å; L950-V967 PolarHBondContact N-O 2.84Å; V967-L969 HydrophobicContact CG1-CD2 3.61Å; V967-L969 HydrophobicContact CG1-CG 3.92Å
968	V	82.8	Confident	70.3	Confident	8 Å²	8	58.5 Å²	58.5	5%	0.048	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	105.9	-178.8	179	0	0	0	0	107.6	W947 A949 R966 R989 P990	W947-V968 HydrophobicContact CD2-CG1 4.43Å; W947-V968 HydrophobicContact CE3-CG1 3.81Å; W947-V968 HydrophobicContact CZ3-CG1 4.39Å; A949-V968 HydrophobicContact CB-CG2 4.2Å; R966-V968 HydrophobicContact CG-CG2 4.07Å; V968-R989 HydrophobicContact CG1-CG 4.04Å; V968-R989 PolarHBondContact O-NH2 3.44Å; V968-P990 HydrophobicContact CG1-CB 4.3Å; V968-P990 HydrophobicContact CG1-CG 4.28Å; V968-P990 HydrophobicContact CG2-CB 4.35Å
969	L	76.7	Confident	70.7	Confident	47 Å²	47	56.6 Å²	56.6	25%	0.246	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.7	-172.2	-60	179.2	0	0	0	110.6	W947 L948 L950 V967 T978	W947-L969 CarbonylContact C-O 3.47Å; L948-L969 PolarHBondContact N-O 3.36Å; L948-L969 PolarHBondContact O-N 3.19Å; L950-L969 HydrophobicContact CD1-CD1 4.24Å; V967-L969 HydrophobicContact CG1-CD2 3.61Å; V967-L969 HydrophobicContact CG1-CG 3.92Å; L969-T978 HydrophobicContact CB-CG2 4.31Å; L969-T978 HydrophobicContact CD1-CG2 4.45Å; L969-T978 HydrophobicContact CD2-CG2 4.17Å
970	C	78.5	Confident	71.1	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138	164.6	-178	0	0	0	0	109.8	W947 T978 L979 C984	W947-C970 HydrophobicContact CE3-CB 4.17Å; W947-C970 HydrophobicContact CZ3-CB 4.02Å; C970-T978 WeakPolarHBondContact O-CA 3.38Å; C970-L979 HydrophobicContact CB-CB 4.41Å; C970-L979 WeakPolarHBondContact CB-O 3.46Å; C970-L979 PolarHBondContact O-N 2.79Å; C970-C984 WeakPolarHBondContact CA-SG 3.48Å; C970-C984 HydrophobicContact CB-CB 3.8Å; C970-C984 WeakPolarHBondContact CB-SG 3.23Å; C970-C984 WeakPolarHBondContact SG-CB 3.15Å; C970-C984 PolarHBondContact SG-N 3.2Å; C970-C984 CovalentContact SG-SG 2.03Å; C970-C984 PolarHBondContact SG-SG 3.27Å
971	K	73.5	Confident	71.4	Confident	51 Å²	51	62.3 Å²	62.3	22%	0.222	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.3	-173.8	-76.9	-69.4	-170.7	-177.6	0	112.3	P945 E946 L948 G976 N977 T978	P945-K971 VanDerWaalsContact CA-O 3.23Å; P945-K971 WeakPolarHBondContact CA-O 3.44Å; P945-K971 WeakPolarHBondContact CB-O 3.45Å; E946-K971 PolarHBondContact N-O 2.68Å; E946-K971 VanDerWaalsContact N-O 3.08Å; E946-K971 PolarHBondContact O-N 2.74Å; L948-K971 HydrophobicContact CB-CG 3.76Å; L948-K971 HydrophobicContact CD2-CG 4.15Å; K971-G976 WeakPolarHBondContact CD-O 3.34Å; K971-G976 WeakPolarHBondContact CE-O 3.23Å; K971-G976 PolarHBondContact NZ-O 3.33Å; K971-N977 WeakPolarHBondContact CA-O 3.35Å; K971-T978 PolarHBondContact NZ-OG1 3.1Å
972	S	69.6	Low	71.3	Confident	19 Å²	19	60.7 Å²	60.7	13%	0.133	34%	0.343	C	S	.	.			trans	-72.9	126.1	175.2	-176.8	0	0	0	0	111.6	E974 S975 G976 N977	S972-E974 PolarHBondContact O-N 3.1Å; S972-E974 PolarHBondContact OG-N 3.18Å; S972-S975 PolarHBondContact O-N 3.22Å; S972-G976 PolarHBondContact O-N 2.94Å; S972-N977 PolarHBondContact N-O 3.35Å
973	G	59.8	Low	71.1	Confident	42 Å²	42	67 Å²	67	43%	0.433	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.5	176.1	0	0	0	0	0	114.8	N900	N900-G973 PolarHBondContact ND2-O 3.29Å
974	E	57.3	Low	70.8	Confident	123 Å²	123	64 Å²	64	58%	0.575	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-27.3	175.9	-71.9	174.7	162.3	0	0	113.7	N900 S942 S972	N900-E974 WeakPolarHBondContact ND2-CG 3.31Å; N900-E974 WeakPolarHBondContact OD1-CG 3.45Å; S942-E974 WeakPolarHBondContact CB-OE1 3.26Å; S942-E974 PolarHBondContact OG-OE1 2.08Å; S972-E974 PolarHBondContact O-N 3.1Å; S972-E974 PolarHBondContact OG-N 3.18Å
975	S	57.5	Low	70.5	Confident	68 Å²	68	63 Å²	63	48%	0.476	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.3	-0.7	-163.8	51.3	0	0	0	0	116.2	S972 N977	S972-S975 PolarHBondContact O-N 3.22Å; S975-N977 WeakPolarHBondContact CB-ND2 3.31Å; S975-N977 PolarHBondContact O-N 3.08Å; S975-N977 PolarHBondContact OG-ND2 3.35Å; S975-N977 VanDerWaalsContact OG-ND2 3.12Å
976	G	58.4	Low	69.9	Low	46 Å²	46	66.9 Å²	66.9	47%	0.474	38%	0.381	S	S	.	.			trans	65	5.1	-177.3	0	0	0	0	0	114.6	K971 S972	K971-G976 WeakPolarHBondContact CD-O 3.34Å; K971-G976 WeakPolarHBondContact CE-O 3.23Å; K971-G976 PolarHBondContact NZ-O 3.33Å; S972-G976 PolarHBondContact O-N 2.94Å
977	N	67.6	Low	69	Low	101 Å²	101	72.4 Å²	72.4	54%	0.54	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-66.4	142	176.3	-78.3	-44.2	0	0	0	111.1	K971 S972 S975 L979	K971-N977 WeakPolarHBondContact CA-O 3.35Å; S972-N977 PolarHBondContact N-O 3.35Å; S975-N977 WeakPolarHBondContact CB-ND2 3.31Å; S975-N977 PolarHBondContact O-N 3.08Å; S975-N977 PolarHBondContact OG-ND2 3.35Å; S975-N977 VanDerWaalsContact OG-ND2 3.12Å; N977-L979 PolarHBondContact O-N 2.91Å
978	T	69.3	Low	68.2	Low	82 Å²	82	70.6 Å²	70.6	50%	0.503	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	117	175.9	-53.4	0	0	0	0	109.4	L969 C970 K971	L969-T978 HydrophobicContact CB-CG2 4.31Å; L969-T978 HydrophobicContact CD1-CG2 4.45Å; L969-T978 HydrophobicContact CD2-CG2 4.17Å; C970-T978 WeakPolarHBondContact O-CA 3.38Å; K971-T978 PolarHBondContact NZ-OG1 3.1Å
979	L	71.2	Confident	68	Low	50 Å²	50	75 Å²	75	26%	0.262	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	161.9	177.5	-67.2	-178.1	0	0	0	110.8	P945 C970 N977 K983	P945-L979 HydrophobicContact CB-CD1 3.82Å; P945-L979 HydrophobicContact CG-CD1 3.46Å; P945-L979 VanDerWaalsContact CG-CD1 3.46Å; C970-L979 HydrophobicContact CB-CB 4.41Å; C970-L979 WeakPolarHBondContact CB-O 3.46Å; C970-L979 PolarHBondContact O-N 2.79Å; N977-L979 PolarHBondContact O-N 2.91Å; L979-K983 HydrophobicContact CB-CB 4.31Å; L979-K983 HydrophobicContact CD1-CB 4.4Å
980	P	74.2	Confident	68.2	Low	81 Å²	81	74.3 Å²	74.3	53%	0.526	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61.6	143.4	171.7	-22.9	34.3	0	0	0	112.4	S982 K983	P980-S982 PolarHBondContact O-N 2.89Å; P980-K983 WeakPolarHBondContact O-CB 3.45Å; P980-K983 PolarHBondContact O-N 3.35Å
981	D	70.7	Confident	68.1	Low	71 Å²	71	78.4 Å²	78.4	38%	0.38	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-46.6	-26.3	176	-84.1	7.3	0	0	0	115.4	W947 K983 R989	W947-D981 HydrophobicContact CH2-CB 3.81Å; W947-D981 VanDerWaalsContact CH2-O 3.25Å; W947-D981 WeakPolarHBondContact CH2-O 3.41Å; W947-D981 WeakPolarHBondContact CZ2-O 3.44Å; W947-D981 HydrophobicContact CZ3-CB 4.29Å; W947-D981 WeakPolarHBondContact CZ3-OD1 3.04Å; D981-K983 VanDerWaalsContact C-N 3.29Å; D981-K983 PolarHBondContact O-N 2.96Å; D981-R989 VanDerWaalsContact CG-NH2 3.29Å; D981-R989 IonicContact OD1-CZ 2.71Å; D981-R989 IonicContact OD1-NH2 3.97Å; D981-R989 PolarHBondContact OD1-NH2 3.45Å; D981-R989 IonicContact OD2-CZ 2.81Å; D981-R989 IonicContact OD2-NH1 3.63Å; D981-R989 PolarHBondContact OD2-NH1 3.22Å; D981-R989 IonicContact OD2-NH2 3.77Å; D981-R989 PolarHBondContact OD2-NH2 2.79Å
982	S	64.1	Low	68.3	Low	82 Å²	82	79 Å²	79	57%	0.573	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-74.4	-13.9	179	54.6	0	0	0	0	114.4	P980	P980-S982 PolarHBondContact O-N 2.89Å
983	K	66.8	Low	68.8	Low	134 Å²	134	84.5 Å²	84.5	58%	0.583	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-88.3	-16.4	-178.8	-68	-70.4	-174.2	173.1	0	113.7	P945 L979 P980 D981	P945-K983 HydrophobicContact CB-CB 4.37Å; P945-K983 HydrophobicContact CG-CB 4.16Å; L979-K983 HydrophobicContact CB-CB 4.31Å; L979-K983 HydrophobicContact CD1-CB 4.4Å; P980-K983 WeakPolarHBondContact O-CB 3.45Å; P980-K983 PolarHBondContact O-N 3.35Å; D981-K983 VanDerWaalsContact C-N 3.29Å; D981-K983 PolarHBondContact O-N 2.96Å
984	C	73.9	Confident	69.8	Low	5 Å²	5	84.9 Å²	84.9	3%	0.034	48%	0.476	C	S	.	.	S	Bend	trans	-101	147.1	177.8	-71.2	0	0	0	0	111.5	P945 E946 W947 C970 K986	P945-C984 WeakPolarHBondContact CB-SG 3.48Å; P945-C984 PolarHBondContact O-SG 2.9Å; P945-C984 VanDerWaalsContact O-SG 3.35Å; E946-C984 PolarHBondContact N-SG 2.89Å; E946-C984 PolarHBondContact O-SG 2.93Å; W947-C984 HydrophobicContact CD2-CB 3.61Å; W947-C984 HydrophobicContact CE3-CB 4.15Å; W947-C984 HydrophobicContact CG-CB 4Å; W947-C984 HydrophobicContact CH2-CB 4.24Å; W947-C984 HydrophobicContact CZ2-CB 3.68Å; W947-C984 HydrophobicContact CZ3-CB 4.45Å; C970-C984 WeakPolarHBondContact CA-SG 3.48Å; C970-C984 HydrophobicContact CB-CB 3.8Å; C970-C984 WeakPolarHBondContact CB-SG 3.23Å; C970-C984 WeakPolarHBondContact SG-CB 3.15Å; C970-C984 PolarHBondContact SG-N 3.2Å; C970-C984 CovalentContact SG-SG 2.03Å; C970-C984 PolarHBondContact SG-SG 3.27Å; C984-K986 PolarHBondContact O-N 3Å
985	P	72.3	Confident	70.8	Confident	80 Å²	80	88.4 Å²	88.4	52%	0.519	48%	0.484	S	S	.	.			trans	-68.1	116.4	-173.7	26	-33.9	0	0	0	111.8	P945 W947 N987 G988	P945-P985 WeakPolarHBondContact O-CD 3.06Å; W947-P985 PolarHBondContact NE1-O 3.31Å; P985-N987 PolarHBondContact O-N 3.48Å; P985-N987 VanDerWaalsContact O-N 3.12Å; P985-G988 PolarHBondContact O-N 3.38Å
986	K	67.3	Low	71.3	Confident	168 Å²	168	86.4 Å²	86.4	73%	0.73	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-53.5	-36.6	-175.4	-69.6	-175.4	177.9	-179.2	0	114	C984 G988 R989	C984-K986 PolarHBondContact O-N 3Å; K986-G988 PolarHBondContact O-N 2.97Å; K986-R989 WeakPolarHBondContact O-CB 3.02Å; K986-R989 PolarHBondContact O-N 3.35Å; K986-R989 VanDerWaalsContact O-N 3.1Å
987	N	59.7	Low	71.3	Confident	175 Å²	175	86.9 Å²	86.9	94%	0.936	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-66.2	-17.1	-176.7	-61.8	7.6	0	0	0	113.4	P985	P985-N987 PolarHBondContact O-N 3.48Å; P985-N987 VanDerWaalsContact O-N 3.12Å
988	G	60.5	Low	70.8	Confident	50 Å²	50	90.5 Å²	90.5	52%	0.515	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-103.5	5.6	175.3	0	0	0	0	0	114.6	P985 K986 P990	P985-G988 PolarHBondContact O-N 3.38Å; K986-G988 PolarHBondContact O-N 2.97Å; G988-P990 WeakPolarHBondContact O-CD 2.98Å
989	R	80	Confident	70.1	Confident	100 Å²	100	94.5 Å²	94.5	38%	0.377	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-67.3	120.1	-173	-171.5	179.1	-171.5	151.7	17.1	111.6	W947 V968 D981 K986	W947-R989 HydrophobicContact CD2-CB 4.18Å; W947-R989 HydrophobicContact CD2-CG 3.89Å; W947-R989 HydrophobicContact CE3-CG 4.11Å; W947-R989 HydrophobicContact CG-CB 4.48Å; W947-R989 HydrophobicContact CG-CG 4.47Å; W947-R989 HydrophobicContact CH2-CG 4.06Å; W947-R989 HydrophobicContact CZ2-CB 3.94Å; W947-R989 HydrophobicContact CZ2-CG 3.84Å; W947-R989 HydrophobicContact CZ3-CG 4.19Å; V968-R989 HydrophobicContact CG1-CG 4.04Å; V968-R989 PolarHBondContact O-NH2 3.44Å; D981-R989 VanDerWaalsContact CG-NH2 3.29Å; D981-R989 IonicContact OD1-CZ 2.71Å; D981-R989 IonicContact OD1-NH2 3.97Å; D981-R989 PolarHBondContact OD1-NH2 3.45Å; D981-R989 IonicContact OD2-CZ 2.81Å; D981-R989 IonicContact OD2-NH1 3.63Å; D981-R989 PolarHBondContact OD2-NH1 3.22Å; D981-R989 IonicContact OD2-NH2 3.77Å; D981-R989 PolarHBondContact OD2-NH2 2.79Å; K986-R989 WeakPolarHBondContact O-CB 3.02Å; K986-R989 PolarHBondContact O-N 3.35Å; K986-R989 VanDerWaalsContact O-N 3.1Å
990	P	79.1	Confident	69.5	Low	33 Å²	33	103.6 Å²	103.6	21%	0.214	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-61.2	144.5	174.2	-24.8	36.1	0	0	0	112.6	W947 A949 V968 G988 S992	W947-P990 VanDerWaalsContact CB-CD 3.48Å; W947-P990 HydrophobicContact CB-CG 4.18Å; A949-P990 HydrophobicContact CB-CB 3.82Å; A949-P990 HydrophobicContact CB-CG 3.94Å; V968-P990 HydrophobicContact CG1-CB 4.3Å; V968-P990 HydrophobicContact CG1-CG 4.28Å; V968-P990 HydrophobicContact CG2-CB 4.35Å; G988-P990 WeakPolarHBondContact O-CD 2.98Å; P990-S992 PolarHBondContact O-N 2.98Å
991	T	76.6	Confident	68.8	Low	85 Å²	85	102.6 Å²	102.6	52%	0.521	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-62.8	130.5	175.4	48.2	0	0	0	0	111.4	W952 R966	W952-T991 VanDerWaalsContact CH2-O 3.23Å; W952-T991 WeakPolarHBondContact CH2-O 3.21Å; R966-T991 PolarHBondContact NE-O 3.36Å; R966-T991 PolarHBondContact NH2-O 2.87Å; R966-T991 VanDerWaalsContact NH2-O 3.1Å
992	S	77.8	Confident	68.5	Low	64 Å²	64	102.6 Å²	102.6	45%	0.448	52%	0.522	S	S	.	.	S	Bend	trans	-90.8	-7.4	-179.7	54.2	0	0	0	0	114.5	H965 R966 P990	H965-S992 CarbonylContact C-O 3.59Å; H965-S992 VanDerWaalsContact CA-O 3.31Å; H965-S992 WeakPolarHBondContact CA-O 3.11Å; R966-S992 PolarHBondContact N-O 2.86Å; R966-S992 WeakPolarHBondContact O-CB 3.13Å; P990-S992 PolarHBondContact O-N 2.98Å
993	R	81.6	Confident	68.7	Low	134 Å²	134	103.6 Å²	103.6	51%	0.506	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.5	179.2	-174.5	-179.6	-173.6	-170.7	-2.3	110.5	Y963 R964 H965	Y963-R993 HydrophobicContact CD1-CG 3.87Å; Y963-R993 VanDerWaalsContact CD1-NE 3.27Å; Y963-R993 VanDerWaalsContact CD2-NH2 3.29Å; Y963-R993 HydrophobicContact CG-CG 4.48Å; R964-R993 WeakPolarHBondContact O-CA 3.15Å; H965-R993 VanDerWaalsContact CE1-CD 3.44Å; H965-R993 WeakPolarHBondContact CE1-CD 3.21Å; H965-R993 PolarHBondContact CE1-NE 3.38Å; H965-R993 PolarHBondContact NE2-NE 2.98Å
994	V	80.7	Confident	68.9	Low	51 Å²	51	98 Å²	98	31%	0.309	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.6	178.9	160	0	0	0	0	109.9	W952 Y963 R964	W952-V994 HydrophobicContact CH2-CB 3.67Å; W952-V994 HydrophobicContact CH2-CG2 3.43Å; W952-V994 VanDerWaalsContact CH2-CG2 3.43Å; W952-V994 HydrophobicContact CZ2-CB 4.11Å; W952-V994 HydrophobicContact CZ2-CG2 3.78Å; W952-V994 HydrophobicContact CZ3-CB 4.05Å; W952-V994 HydrophobicContact CZ3-CG2 4.27Å; Y963-V994 WeakPolarHBondContact CA-O 3.47Å; R964-V994 PolarHBondContact N-O 2.94Å; R964-V994 PolarHBondContact O-N 2.62Å
995	R	77	Confident	69	Low	196 Å²	196	102.1 Å²	102.1	74%	0.74	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.3	174.2	-74.8	-178.9	-179.5	167.2	2.3	111.3	G962 Y963	G962-R995 WeakPolarHBondContact O-CA 3.07Å; Y963-R995 HydrophobicContact CD1-CG 3.88Å; Y963-R995 HydrophobicContact CE1-CB 4.45Å; Y963-R995 HydrophobicContact CE1-CG 3.32Å; Y963-R995 PolarHBondContact OH-NE 2.02Å
996	C	69.4	Low	69.4	Low	26 Å²	26	100.8 Å²	100.8	18%	0.176	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	170.7	176.9	48.6	0	0	0	0	110	C955 G962 R964	C955-C996 VanDerWaalsContact CA-SG 3.59Å; C955-C996 HydrophobicContact CB-CB 3.9Å; C955-C996 WeakPolarHBondContact CB-SG 3.37Å; C955-C996 WeakPolarHBondContact SG-CB 3.02Å; C955-C996 CovalentContact SG-SG 2.02Å; C955-C996 PolarHBondContact SG-SG 3.06Å; G962-C996 CarbonylContact C-O 3.57Å; G962-C996 WeakPolarHBondContact CA-O 3.46Å; G962-C996 PolarHBondContact N-O 2.98Å; G962-C996 PolarHBondContact O-N 2.91Å; G962-C996 VanDerWaalsContact O-O 3.08Å; R964-C996 HydrophobicContact CG-CB 4.34Å; R964-C996 PolarHBondContact N-SG 2.82Å
997	N	58.4	Low	69.9	Low	57 Å²	57	96 Å²	96	31%	0.305	50%	0.498	S	S	.	.			trans	58.6	112.6	-174.9	-68.2	-14.7	0	0	0	115	C955 P957 S958 G960 P961	C955-N997 WeakPolarHBondContact CB-ND2 3.44Å; C955-N997 VanDerWaalsContact SG-CG 3.53Å; C955-N997 PolarHBondContact SG-ND2 3.03Å; C955-N997 VanDerWaalsContact SG-ND2 3.35Å; P957-N997 PolarHBondContact O-ND2 3.18Å; S958-N997 WeakPolarHBondContact CA-ND2 3.34Å; S958-N997 PolarHBondContact O-ND2 3.41Å; G960-N997 WeakPolarHBondContact O-CB 3.07Å; P961-N997 WeakPolarHBondContact CA-O 3.46Å
998	L	56	Low	71	Confident	177 Å²	177	90.1 Å²	90.1	93%	0.927	47%	0.469	S	S	*	.			trans	-120.6	-0.8	174.8	-67.5	175.6	0	0	0	113
999	Q	54.8	Low	71.7	Confident	166 Å²	166	88.8 Å²	88.8	78%	0.776	46%	0.455	S	S	*	.	S	Bend	trans	-84.2	146.5	173.1	-69.9	-165.1	-14.9	0	0	111.3	G960	G960-Q999 WeakPolarHBondContact CA-O 3.48Å; G960-Q999 PolarHBondContact N-O 2.66Å
1000	R	57.8	Low	71.5	Confident	240 Å²	240	89.4 Å²	89.4	91%	0.906	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-73.4	146.3	175	-64.3	-178.3	179.1	-177.1	-0.6	110
1001	C	60.1	Low	71.6	Confident	61 Å²	61	91 Å²	91	41%	0.412	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-66	156	173.4	-63.5	0	0	0	0	111.8	C959	C959-C1001 HydrophobicContact CB-CB 3.96Å; C959-C1001 WeakPolarHBondContact CB-SG 3.4Å; C959-C1001 VanDerWaalsContact SG-CA 3.57Å; C959-C1001 WeakPolarHBondContact SG-CB 3.49Å; C959-C1001 CovalentContact SG-SG 2.04Å; C959-C1001 PolarHBondContact SG-SG 3.28Å
1002	P	64.7	Low	71.5	Confident	71 Å²	71	88.8 Å²	88.8	46%	0.461	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-59.3	146.8	167.5	-20	32.2	0	0	0	111.5	H1032	P1002-H1032 HydrophobicContact CB-CB 4.33Å; P1002-H1032 HydrophobicContact CG-CB 4.3Å
1003	P	68	Low	71.4	Confident	103 Å²	103	95 Å²	95	67%	0.669	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-65.6	156.6	175.6	29.6	-35.5	0	0	0	111.5
1004	P	70.7	Confident	71.2	Confident	16 Å²	16	89.8 Å²	89.8	10%	0.104	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-69.8	156.4	176.4	33	-37.6	0	0	0	111.8	L1030 E1039	P1004-L1030 CarbonylContact C-O 3.51Å; P1004-L1030 WeakPolarHBondContact CA-O 3.26Å; P1004-L1030 VanDerWaalsContact CB-O 3.23Å; P1004-L1030 WeakPolarHBondContact CB-O 3.37Å; P1004-E1039 HydrophobicContact CG-CB 3.83Å
1005	V	75.4	Confident	70.8	Confident	92 Å²	92	91.7 Å²	91.7	56%	0.558	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.1	-178	-69.9	0	0	0	0	111.7	V1007 L1030 C1040	V1005-V1007 HydrophobicContact CG2-CG2 4.29Å; V1005-V1007 PolarHBondContact O-N 2.95Å; V1005-L1030 PolarHBondContact N-O 3.12Å; V1005-L1030 PolarHBondContact O-N 3.45Å; V1005-C1040 PolarHBondContact N-SG 3.04Å
1006	W	82	Confident	69.9	Low	51 Å²	51	83.3 Å²	83.3	19%	0.193	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.2	173.2	-69.7	112	0	0	0	110.7	V1027 C1029 C1040 L1041 E1042 R1045 P1046	W1006-V1027 HydrophobicContact CE3-CG1 3.94Å; W1006-V1027 HydrophobicContact CZ3-CG1 4.46Å; W1006-C1029 HydrophobicContact CD2-CB 4.25Å; W1006-C1029 HydrophobicContact CE3-CB 3.83Å; W1006-C1029 VanDerWaalsContact CE3-N 3.33Å; W1006-C1029 HydrophobicContact CH2-CB 3.92Å; W1006-C1029 HydrophobicContact CZ2-CB 4.33Å; W1006-C1029 HydrophobicContact CZ3-CB 3.66Å; W1006-C1040 HydrophobicContact CD2-CB 4.02Å; W1006-C1040 VanDerWaalsContact CE2-CB 3.48Å; W1006-C1040 HydrophobicContact CG-CB 4.27Å; W1006-C1040 HydrophobicContact CZ2-CB 3.81Å; W1006-L1041 PolarHBondContact NE1-O 2.93Å; W1006-E1042 WeakPolarHBondContact CZ2-OE2 3.03Å; W1006-R1045 HydrophobicContact CD2-CB 4.1Å; W1006-R1045 HydrophobicContact CD2-CG 3.96Å; W1006-R1045 HydrophobicContact CE3-CG 3.99Å; W1006-R1045 HydrophobicContact CH2-CB 4.49Å; W1006-R1045 HydrophobicContact CH2-CG 4Å; W1006-R1045 HydrophobicContact CZ2-CB 3.95Å; W1006-R1045 HydrophobicContact CZ2-CG 3.96Å; W1006-R1045 HydrophobicContact CZ3-CG 4Å; W1006-P1046 HydrophobicContact CB-CG 4.28Å
1007	V	78.6	Confident	69.6	Low	67 Å²	67	92.3 Å²	92.3	41%	0.406	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.3	174.8	-176.8	0	0	0	0	108.9	V1005 Q1028 L1030	V1005-V1007 HydrophobicContact CG2-CG2 4.29Å; V1005-V1007 PolarHBondContact O-N 2.95Å; V1007-Q1028 PolarHBondContact N-O 3.4Å; V1007-Q1028 PolarHBondContact O-N 2.86Å; V1007-L1030 HydrophobicContact CB-CD1 3.93Å; V1007-L1030 HydrophobicContact CB-CG 4.28Å; V1007-L1030 HydrophobicContact CG1-CD1 4.31Å; V1007-L1030 HydrophobicContact CG2-CB 4.21Å; V1007-L1030 HydrophobicContact CG2-CD1 3.97Å; V1007-L1030 HydrophobicContact CG2-CG 4.24Å
1008	T	81.3	Confident	69.5	Low	53 Å²	53	93.8 Å²	93.8	33%	0.325	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.8	179.1	69.3	0	0	0	0	110.8	R1025 S1026 V1027 P1046	T1008-R1025 PolarHBondContact OG1-NH1 3.17Å; T1008-S1026 CarbonylContact C-O 3.52Å; T1008-S1026 WeakPolarHBondContact CA-O 3.31Å; T1008-V1027 HydrophobicContact CG2-CG1 4.36Å; T1008-V1027 HydrophobicContact CG2-CG2 4.09Å; T1008-P1046 HydrophobicContact CG2-CB 3.59Å; T1008-P1046 HydrophobicContact CG2-CG 3.64Å
1009	G	76.1	Confident	69.9	Low	21 Å²	21	86.5 Å²	86.5	22%	0.216	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	176.9	166.5	0	0	0	0	0	112.7	S1026	G1009-S1026 PolarHBondContact N-O 2.95Å
1010	P	76.4	Confident	70.3	Confident	114 Å²	114	84.8 Å²	84.8	74%	0.74	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	158.1	168.7	30.1	-35.6	0	0	0	111	R1025	P1010-R1025 WeakPolarHBondContact O-CB 3.33Å
1011	W	81.1	Confident	70.7	Confident	65 Å²	65	74 Å²	74	25%	0.246	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	132	166.9	-63.5	110.2	0	0	0	109.9	E1023 R1025 A1048 Q1050	W1011-E1023 HydrophobicContact CB-CB 4.4Å; W1011-E1023 HydrophobicContact CB-CG 4.18Å; W1011-E1023 HydrophobicContact CD2-CG 4.3Å; W1011-E1023 HydrophobicContact CE3-CG 4.08Å; W1011-E1023 HydrophobicContact CG-CG 4.37Å; W1011-E1023 WeakPolarHBondContact CZ3-O 2.99Å; W1011-R1025 HydrophobicContact CD2-CB 3.96Å; W1011-R1025 HydrophobicContact CD2-CG 4.04Å; W1011-R1025 HydrophobicContact CE3-CB 3.65Å; W1011-R1025 HydrophobicContact CE3-CG 3.72Å; W1011-R1025 HydrophobicContact CG-CB 4.48Å; W1011-R1025 HydrophobicContact CH2-CG 3.86Å; W1011-R1025 HydrophobicContact CZ2-CG 4.18Å; W1011-R1025 VanDerWaalsContact CZ2-NE 3.27Å; W1011-R1025 HydrophobicContact CZ3-CB 4.03Å; W1011-R1025 HydrophobicContact CZ3-CG 3.61Å; W1011-A1048 VanDerWaalsContact CZ3-C 3.5Å; W1011-A1048 WeakPolarHBondContact CZ3-O 3.32Å; W1011-Q1050 HydrophobicContact CD2-CG 3.95Å; W1011-Q1050 HydrophobicContact CE3-CG 3.99Å; W1011-Q1050 HydrophobicContact CH2-CB 3.97Å; W1011-Q1050 HydrophobicContact CH2-CG 3.73Å; W1011-Q1050 HydrophobicContact CZ2-CB 4.19Å; W1011-Q1050 HydrophobicContact CZ2-CG 3.66Å; W1011-Q1050 VanDerWaalsContact CZ2-OE1 3.23Å; W1011-Q1050 HydrophobicContact CZ3-CB 4.35Å; W1011-Q1050 HydrophobicContact CZ3-CG 3.9Å
1012	G	74.8	Confident	71.5	Confident	39 Å²	39	75.1 Å²	75.1	40%	0.402	43%	0.432	S	S	.	.			trans	-75.5	175.8	173.5	0	0	0	0	0	112.3	E1023 M1024	G1012-E1023 WeakPolarHBondContact O-CB 3.47Å; G1012-M1024 PolarHBondContact N-O 2.83Å
1013	E	75.2	Confident	71.9	Confident	194 Å²	194	73.6 Å²	73.6	91%	0.907	42%	0.419	S	S	*	.			trans	-57.9	147.6	179.8	-65.6	-174.4	174.2	0	0	112.9	S1015	E1013-S1015 PolarHBondContact O-N 3.42Å
1014	C	76.9	Confident	72.4	Confident	25 Å²	25	75 Å²	75	17%	0.169	42%	0.418	C	S	.	.			trans	-64.5	126.7	179.7	-166.7	0	0	0	0	111.3	A1016 C1052 K1053	C1014-A1016 PolarHBondContact O-N 2.04Å; C1014-C1052 WeakPolarHBondContact CA-SG 3.16Å; C1014-C1052 HydrophobicContact CB-CB 3.75Å; C1014-C1052 WeakPolarHBondContact CB-SG 3.18Å; C1014-C1052 WeakPolarHBondContact SG-CB 3.48Å; C1014-C1052 CovalentContact SG-SG 2.03Å; C1014-C1052 PolarHBondContact SG-SG 3.3Å; C1014-K1053 PolarHBondContact SG-N 3.39Å
1015	S	72.6	Confident	72.8	Confident	92 Å²	92	77 Å²	77	64%	0.643	42%	0.424	S	S	*	.	S	Bend	trans	-60.5	-22.2	-174	63.9	0	0	0	0	114.8	E1013 Q1022	E1013-S1015 PolarHBondContact O-N 3.42Å; S1015-Q1022 VanDerWaalsContact CB-O 3.26Å; S1015-Q1022 WeakPolarHBondContact CB-O 3.44Å; S1015-Q1022 PolarHBondContact N-O 3.32Å; S1015-Q1022 PolarHBondContact OG-N 3.2Å; S1015-Q1022 PolarHBondContact OG-O 3.18Å; S1015-Q1022 VanDerWaalsContact OG-O 3.08Å
1016	A	56.8	Low	72.9	Confident	20 Å²	20	75.6 Å²	75.6	17%	0.165	42%	0.418	C	S	.	.			trans	-92.9	118.4	171.2	0	0	0	0	0	110.4	C1014 C1018 L1020 S1054	C1014-A1016 PolarHBondContact O-N 2.04Å; A1016-C1018 PolarHBondContact O-N 3.45Å; A1016-L1020 VanDerWaalsContact CB-O 3.25Å; A1016-L1020 WeakPolarHBondContact CB-O 3.48Å; A1016-S1054 WeakPolarHBondContact O-CB 3.21Å
1017	R	63.3	Low	73	Confident	214 Å²	214	73.9 Å²	73.9	81%	0.808	41%	0.413	S	S	*	.	S	Bend	trans	-65.1	-26.4	175.3	-68.3	-172.2	172	-148.5	-5.4	113.2	S1054 K1055 C1056	R1017-S1054 WeakPolarHBondContact O-CB 3.43Å; R1017-S1054 PolarHBondContact O-OG 2.03Å; R1017-K1055 CarbonylContact O-C 3.29Å; R1017-K1055 VanDerWaalsContact O-C 3.29Å; R1017-K1055 PolarHBondContact O-N 3.4Å; R1017-C1056 VanDerWaalsContact C-SG 3.53Å; R1017-C1056 PolarHBondContact O-SG 2.94Å
1018	C	57	Low	73	Confident	88 Å²	88	75.8 Å²	75.8	60%	0.595	42%	0.418	S	S	*	.	S	Bend	trans	-141.5	141.2	169.2	173.6	0	0	0	0	109.1	A1016 C1056	A1016-C1018 PolarHBondContact O-N 3.45Å; C1018-C1056 HydrophobicContact CB-CB 4.23Å; C1018-C1056 VanDerWaalsContact CB-SG 3.57Å
1019	G	63.9	Low	73	Confident	25 Å²	25	73.7 Å²	73.7	26%	0.258	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.9	-164.1	-180	0	0	0	0	0	113.2	K1053 S1054	G1019-K1053 CarbonylContact O-C 3.55Å; G1019-K1053 VanDerWaalsContact O-CA 3.25Å; G1019-K1053 WeakPolarHBondContact O-CA 3.23Å; G1019-K1053 VanDerWaalsContact O-CG 3.31Å; G1019-K1053 WeakPolarHBondContact O-CG 3.08Å; G1019-S1054 PolarHBondContact N-O 2.91Å; G1019-S1054 PolarHBondContact O-N 3.47Å
1020	L	63.1	Low	72.9	Confident	129 Å²	129	74.1 Å²	74.1	68%	0.675	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	139.1	179.7	-73.3	167.7	0	0	0	110.8	A1016 C1052 K1053	A1016-L1020 VanDerWaalsContact CB-O 3.25Å; A1016-L1020 WeakPolarHBondContact CB-O 3.48Å; L1020-C1052 WeakPolarHBondContact CA-O 2.98Å; L1020-K1053 HydrophobicContact CD2-CB 4.11Å; L1020-K1053 HydrophobicContact CD2-CD 3.96Å; L1020-K1053 HydrophobicContact CD2-CG 4Å; L1020-K1053 HydrophobicContact CG-CD 4.37Å; L1020-K1053 HydrophobicContact CG-CG 4.36Å
1021	G	67.5	Low	72.5	Confident	14 Å²	14	70.1 Å²	70.1	14%	0.144	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	-163.4	176.3	0	0	0	0	0	112.1	Q1051 C1052	G1021-Q1051 WeakPolarHBondContact O-CA 3.39Å; G1021-C1052 PolarHBondContact N-O 3.26Å; G1021-C1052 PolarHBondContact O-N 3.38Å; G1021-C1052 PolarHBondContact O-SG 3.02Å
1022	Q	75.6	Confident	71.8	Confident	85 Å²	85	72.3 Å²	72.3	40%	0.397	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.3	173.7	-74.1	171.2	-28.6	0	0	110.4	S1015 M1049 Q1050 Q1051 C1052	S1015-Q1022 VanDerWaalsContact CB-O 3.26Å; S1015-Q1022 WeakPolarHBondContact CB-O 3.44Å; S1015-Q1022 PolarHBondContact N-O 3.32Å; S1015-Q1022 PolarHBondContact OG-N 3.2Å; S1015-Q1022 PolarHBondContact OG-O 3.18Å; S1015-Q1022 VanDerWaalsContact OG-O 3.08Å; Q1022-M1049 HydrophobicContact CB-CG 4.19Å; Q1022-M1049 HydrophobicContact CB-SD 4.26Å; Q1022-M1049 HydrophobicContact CG-SD 4.43Å; Q1022-M1049 PolarHBondContact OE1-SD 3.19Å; Q1022-Q1050 CarbonylContact C-O 3.55Å; Q1022-Q1050 VanDerWaalsContact CA-O 3.25Å; Q1022-Q1050 WeakPolarHBondContact CA-O 3.44Å; Q1022-Q1051 HydrophobicContact CG-CG 4.23Å; Q1022-C1052 VanDerWaalsContact CA-SG 3.56Å; Q1022-C1052 PolarHBondContact N-SG 3.23Å; Q1022-C1052 VanDerWaalsContact N-SG 3.39Å
1023	E	74.4	Confident	71.3	Confident	39 Å²	39	75 Å²	75	18%	0.182	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.4	173.7	56.6	-174	-141.4	0	0	108.9	W1011 G1012 M1049 Q1050 C1052	W1011-E1023 HydrophobicContact CB-CB 4.4Å; W1011-E1023 HydrophobicContact CB-CG 4.18Å; W1011-E1023 HydrophobicContact CD2-CG 4.3Å; W1011-E1023 HydrophobicContact CE3-CG 4.08Å; W1011-E1023 HydrophobicContact CG-CG 4.37Å; W1011-E1023 WeakPolarHBondContact CZ3-O 2.99Å; G1012-E1023 WeakPolarHBondContact O-CB 3.47Å; E1023-M1049 WeakPolarHBondContact O-CA 3.07Å; E1023-Q1050 HydrophobicContact CG-CG 3.62Å; E1023-Q1050 PolarHBondContact N-O 3.41Å; E1023-Q1050 PolarHBondContact O-N 3.32Å; E1023-Q1050 PolarHBondContact OE1-NE2 2.92Å; E1023-C1052 HydrophobicContact CB-CB 4.18Å; E1023-C1052 HydrophobicContact CG-CB 3.88Å; E1023-C1052 PolarHBondContact N-SG 2.85Å; E1023-C1052 VanDerWaalsContact N-SG 3.41Å; E1023-C1052 WeakPolarHBondContact OE2-CB 3.43Å
1024	M	78.4	Confident	70.6	Confident	131 Å²	131	68.1 Å²	68.1	65%	0.645	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.7	-179	-66.8	-171.3	-71.7	0	0	110.1	G1012 A1048 M1049	G1012-M1024 PolarHBondContact N-O 2.83Å; M1024-A1048 VanDerWaalsContact CA-O 3.27Å; M1024-A1048 WeakPolarHBondContact CA-O 3.41Å; M1024-M1049 HydrophobicContact CG-CB 4.19Å; M1024-M1049 HydrophobicContact CG-CG 3.93Å; M1024-M1049 HydrophobicContact CG-SD 4.38Å
1025	R	78.1	Confident	70	Confident	58 Å²	58	73.3 Å²	73.3	22%	0.219	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.3	173.6	67.4	-176.3	171.8	173.5	-9.8	111	T1008 P1010 W1011 V1027 A1047 A1048	T1008-R1025 PolarHBondContact OG1-NH1 3.17Å; P1010-R1025 WeakPolarHBondContact O-CB 3.33Å; W1011-R1025 HydrophobicContact CD2-CB 3.96Å; W1011-R1025 HydrophobicContact CD2-CG 4.04Å; W1011-R1025 HydrophobicContact CE3-CB 3.65Å; W1011-R1025 HydrophobicContact CE3-CG 3.72Å; W1011-R1025 HydrophobicContact CG-CB 4.48Å; W1011-R1025 HydrophobicContact CH2-CG 3.86Å; W1011-R1025 HydrophobicContact CZ2-CG 4.18Å; W1011-R1025 VanDerWaalsContact CZ2-NE 3.27Å; W1011-R1025 HydrophobicContact CZ3-CB 4.03Å; W1011-R1025 HydrophobicContact CZ3-CG 3.61Å; R1025-V1027 HydrophobicContact CG-CG2 3.98Å; R1025-V1027 PolarHBondContact O-N 3.12Å; R1025-A1047 PolarHBondContact NE-O 3.33Å; R1025-A1047 PolarHBondContact NH2-O 2.81Å; R1025-A1048 PolarHBondContact N-O 3.44Å
1026	S	77.9	Confident	69.7	Low	64 Å²	64	74 Å²	74	45%	0.448	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.5	167.2	50.8	0	0	0	0	109.7	T1008 G1009	T1008-S1026 CarbonylContact C-O 3.52Å; T1008-S1026 WeakPolarHBondContact CA-O 3.31Å; G1009-S1026 PolarHBondContact N-O 2.95Å
1027	V	84.4	Confident	70.3	Confident	15 Å²	15	74.2 Å²	74.2	9%	0.091	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	108.8	171.2	-179.3	0	0	0	0	106.6	W1006 T1008 R1025 R1045 P1046 A1048	W1006-V1027 HydrophobicContact CE3-CG1 3.94Å; W1006-V1027 HydrophobicContact CZ3-CG1 4.46Å; T1008-V1027 HydrophobicContact CG2-CG1 4.36Å; T1008-V1027 HydrophobicContact CG2-CG2 4.09Å; R1025-V1027 HydrophobicContact CG-CG2 3.98Å; R1025-V1027 PolarHBondContact O-N 3.12Å; V1027-R1045 HydrophobicContact CG1-CG 3.93Å; V1027-P1046 HydrophobicContact CG1-CB 4.44Å; V1027-P1046 HydrophobicContact CG1-CG 4.49Å; V1027-A1048 HydrophobicContact CB-CB 4.34Å; V1027-A1048 HydrophobicContact CG2-CB 3.69Å
1028	Q	78.4	Confident	70.7	Confident	106 Å²	106	71.7 Å²	71.7	50%	0.495	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.7	-171.2	-67.6	-178.3	-11.9	0	0	110.1	V1007 L1030	V1007-Q1028 PolarHBondContact N-O 3.4Å; V1007-Q1028 PolarHBondContact O-N 2.86Å; Q1028-L1030 HydrophobicContact CB-CD2 4.09Å; Q1028-L1030 HydrophobicContact CB-CG 4.38Å; Q1028-L1030 PolarHBondContact O-N 2.62Å
1029	C	80.9	Confident	71.3	Confident	9 Å²	9	74.9 Å²	74.9	6%	0.061	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.6	168.3	172.7	0	0	0	0	107.9	W1006 P1036 S1037 C1040	W1006-C1029 HydrophobicContact CD2-CB 4.25Å; W1006-C1029 HydrophobicContact CE3-CB 3.83Å; W1006-C1029 VanDerWaalsContact CE3-N 3.33Å; W1006-C1029 HydrophobicContact CH2-CB 3.92Å; W1006-C1029 HydrophobicContact CZ2-CB 4.33Å; W1006-C1029 HydrophobicContact CZ3-CB 3.66Å; C1029-P1036 WeakPolarHBondContact O-CA 3.41Å; C1029-S1037 WeakPolarHBondContact CB-O 3.41Å; C1029-S1037 PolarHBondContact O-N 2.86Å; C1029-S1037 PolarHBondContact SG-O 2.99Å; C1029-C1040 WeakPolarHBondContact CA-SG 3.44Å; C1029-C1040 HydrophobicContact CB-CB 3.67Å; C1029-C1040 WeakPolarHBondContact CB-SG 3.3Å; C1029-C1040 WeakPolarHBondContact SG-CB 3.04Å; C1029-C1040 PolarHBondContact SG-N 2.87Å; C1029-C1040 CovalentContact SG-SG 2.02Å; C1029-C1040 PolarHBondContact SG-SG 3.05Å
1030	L	73.2	Confident	72	Confident	31 Å²	31	74.5 Å²	74.5	16%	0.162	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.2	-179.8	-59.3	-175.6	0	0	0	110.4	P1004 V1005 V1007 Q1028 Q1035 P1036	P1004-L1030 CarbonylContact C-O 3.51Å; P1004-L1030 WeakPolarHBondContact CA-O 3.26Å; P1004-L1030 VanDerWaalsContact CB-O 3.23Å; P1004-L1030 WeakPolarHBondContact CB-O 3.37Å; V1005-L1030 PolarHBondContact N-O 3.12Å; V1005-L1030 PolarHBondContact O-N 3.45Å; V1007-L1030 HydrophobicContact CB-CD1 3.93Å; V1007-L1030 HydrophobicContact CB-CG 4.28Å; V1007-L1030 HydrophobicContact CG1-CD1 4.31Å; V1007-L1030 HydrophobicContact CG2-CB 4.21Å; V1007-L1030 HydrophobicContact CG2-CD1 3.97Å; V1007-L1030 HydrophobicContact CG2-CG 4.24Å; Q1028-L1030 HydrophobicContact CB-CD2 4.09Å; Q1028-L1030 HydrophobicContact CB-CG 4.38Å; Q1028-L1030 PolarHBondContact O-N 2.62Å; L1030-Q1035 CarbonylContact C-O 3.55Å; L1030-Q1035 WeakPolarHBondContact CA-O 3.13Å; L1030-P1036 HydrophobicContact CD2-CG 4.46Å
1031	A	69.1	Low	72.7	Confident	29 Å²	29	73.2 Å²	73.2	24%	0.24	40%	0.401	C	S	.	.			trans	-64.9	163.5	166.8	0	0	0	0	0	111.3	T1033 G1034 Q1035	A1031-T1033 PolarHBondContact O-N 3.05Å; A1031-G1034 PolarHBondContact O-N 3.46Å; A1031-Q1035 PolarHBondContact N-O 3.13Å
1032	H	66.9	Low	73.1	Confident	112 Å²	112	77.8 Å²	77.8	52%	0.519	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-27.9	172.7	171.4	46.2	0	0	0	113.6	P1002 G1034	P1002-H1032 HydrophobicContact CB-CB 4.33Å; P1002-H1032 HydrophobicContact CG-CB 4.3Å; H1032-G1034 VanDerWaalsContact C-N 3.28Å; H1032-G1034 PolarHBondContact O-N 3.03Å
1033	T	62.9	Low	73.1	Confident	95 Å²	95	80.9 Å²	80.9	58%	0.583	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	3.7	176	54.3	0	0	0	0	114.9	A1031 Q1035	A1031-T1033 PolarHBondContact O-N 3.05Å; T1033-Q1035 PolarHBondContact O-N 2.05Å
1034	G	60.8	Low	73.2	Confident	49 Å²	49	84.6 Å²	84.6	51%	0.505	45%	0.45	S	S	.	.	S	Bend	trans	75	2	-176.4	0	0	0	0	0	115	A1031 H1032	A1031-G1034 PolarHBondContact O-N 3.46Å; H1032-G1034 VanDerWaalsContact C-N 3.28Å; H1032-G1034 PolarHBondContact O-N 3.03Å
1035	Q	65.5	Low	73.4	Confident	134 Å²	134	84.2 Å²	84.2	63%	0.626	44%	0.441	S	S	*	.	S	Bend	trans	-86.1	149.2	177.8	-67.5	-171.3	-21	0	0	111.9	L1030 A1031 T1033 S1037	L1030-Q1035 CarbonylContact C-O 3.55Å; L1030-Q1035 WeakPolarHBondContact CA-O 3.13Å; A1031-Q1035 PolarHBondContact N-O 3.13Å; T1033-Q1035 PolarHBondContact O-N 2.05Å; Q1035-S1037 PolarHBondContact O-N 3.31Å
1036	P	65.2	Low	73.5	Confident	107 Å²	107	83.4 Å²	83.4	70%	0.695	44%	0.443	S	S	*	.	B	Isolated β-bridge	trans	-56	135.3	174.2	-25	34.8	0	0	0	112.6	C1029 L1030	C1029-P1036 WeakPolarHBondContact O-CA 3.41Å; L1030-P1036 HydrophobicContact CD2-CG 4.46Å
1037	S	70.4	Confident	73.4	Confident	24 Å²	24	83.6 Å²	83.6	17%	0.168	45%	0.449	C	S	.	.			trans	-130.4	164	174.3	-176.8	0	0	0	0	110.5	C1029 Q1035 E1039	C1029-S1037 WeakPolarHBondContact CB-O 3.41Å; C1029-S1037 PolarHBondContact O-N 2.86Å; C1029-S1037 PolarHBondContact SG-O 2.99Å; Q1035-S1037 PolarHBondContact O-N 3.31Å; S1037-E1039 PolarHBondContact OG-N 2.84Å
1038	N	71	Confident	73.1	Confident	161 Å²	161	84.8 Å²	84.8	86%	0.861	46%	0.46	S	S	*	.	S	Bend	trans	-111.7	1.7	178.9	-60.4	-7.9	0	0	0	112.3
1039	E	69.7	Low	73.1	Confident	156 Å²	156	84.3 Å²	84.3	73%	0.729	46%	0.459	S	S	*	.			trans	-99	9.4	-167.9	-45.9	174.6	144.1	0	0	113.8	P1004 S1037	P1004-E1039 HydrophobicContact CG-CB 3.83Å; S1037-E1039 PolarHBondContact OG-N 2.84Å
1040	C	77.8	Confident	73	Confident	17 Å²	17	88.1 Å²	88.1	12%	0.115	48%	0.476	C	S	.	.	S	Bend	trans	-72.8	147.7	173.3	-60.6	0	0	0	0	111.4	V1005 W1006 C1029 E1042	V1005-C1040 PolarHBondContact N-SG 3.04Å; W1006-C1040 HydrophobicContact CD2-CB 4.02Å; W1006-C1040 VanDerWaalsContact CE2-CB 3.48Å; W1006-C1040 HydrophobicContact CG-CB 4.27Å; W1006-C1040 HydrophobicContact CZ2-CB 3.81Å; C1029-C1040 WeakPolarHBondContact CA-SG 3.44Å; C1029-C1040 HydrophobicContact CB-CB 3.67Å; C1029-C1040 WeakPolarHBondContact CB-SG 3.3Å; C1029-C1040 WeakPolarHBondContact SG-CB 3.04Å; C1029-C1040 PolarHBondContact SG-N 2.87Å; C1029-C1040 CovalentContact SG-SG 2.02Å; C1029-C1040 PolarHBondContact SG-SG 3.05Å; C1040-E1042 PolarHBondContact O-N 3.46Å
1041	L	77.6	Confident	73.2	Confident	102 Å²	102	94 Å²	94	53%	0.534	50%	0.503	S	S	.	.			trans	-74.3	114.1	178.3	-63.2	170.4	0	0	0	110.3	W1006 H1043 Q1044	W1006-L1041 PolarHBondContact NE1-O 2.93Å; L1041-H1043 PolarHBondContact O-N 3.36Å; L1041-Q1044 HydrophobicContact CB-CG 4.2Å; L1041-Q1044 WeakPolarHBondContact O-CB 3.37Å; L1041-Q1044 PolarHBondContact O-N 3.41Å
1042	E	76.4	Confident	73.3	Confident	109 Å²	109	93.2 Å²	93.2	51%	0.509	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-59.9	-30.8	-173.2	-167.7	66.6	-169	0	0	113.2	W1006 C1040 Q1044 R1045	W1006-E1042 WeakPolarHBondContact CZ2-OE2 3.03Å; C1040-E1042 PolarHBondContact O-N 3.46Å; E1042-Q1044 PolarHBondContact O-N 2.73Å; E1042-Q1044 VanDerWaalsContact O-N 3.1Å; E1042-R1045 WeakPolarHBondContact O-CB 3Å; E1042-R1045 PolarHBondContact O-N 3.26Å; E1042-R1045 WeakPolarHBondContact OE1-CD 3.02Å; E1042-R1045 IonicContact OE1-CZ 3.2Å; E1042-R1045 IonicContact OE1-NE 3.81Å; E1042-R1045 IonicContact OE1-NH1 2.73Å; E1042-R1045 PolarHBondContact OE1-NH1 2.91Å; E1042-R1045 IonicContact OE2-NH1 3.86Å
1043	H	75.8	Confident	73.3	Confident	151 Å²	151	95.4 Å²	95.4	70%	0.699	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-66	-11.1	176	73.7	-100.4	0	0	0	114.1	L1041	L1041-H1043 PolarHBondContact O-N 3.36Å
1044	Q	77.1	Confident	73	Confident	117 Å²	117	93.2 Å²	93.2	55%	0.547	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-102.7	4.1	176.6	-52.7	-173.6	-3.1	0	0	112.2	L1041 E1042 P1046	L1041-Q1044 HydrophobicContact CB-CG 4.2Å; L1041-Q1044 WeakPolarHBondContact O-CB 3.37Å; L1041-Q1044 PolarHBondContact O-N 3.41Å; E1042-Q1044 PolarHBondContact O-N 2.73Å; E1042-Q1044 VanDerWaalsContact O-N 3.1Å; Q1044-P1046 VanDerWaalsContact O-CD 3.25Å; Q1044-P1046 WeakPolarHBondContact O-CD 3.49Å
1045	R	81.5	Confident	72.7	Confident	122 Å²	122	100.2 Å²	100.2	46%	0.46	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-70.2	118.5	-175.9	-173.4	174.9	178.9	-176.6	0.2	111	W1006 V1027 E1042	W1006-R1045 HydrophobicContact CD2-CB 4.1Å; W1006-R1045 HydrophobicContact CD2-CG 3.96Å; W1006-R1045 HydrophobicContact CE3-CG 3.99Å; W1006-R1045 HydrophobicContact CH2-CB 4.49Å; W1006-R1045 HydrophobicContact CH2-CG 4Å; W1006-R1045 HydrophobicContact CZ2-CB 3.95Å; W1006-R1045 HydrophobicContact CZ2-CG 3.96Å; W1006-R1045 HydrophobicContact CZ3-CG 4Å; V1027-R1045 HydrophobicContact CG1-CG 3.93Å; E1042-R1045 WeakPolarHBondContact O-CB 3Å; E1042-R1045 PolarHBondContact O-N 3.26Å; E1042-R1045 WeakPolarHBondContact OE1-CD 3.02Å; E1042-R1045 IonicContact OE1-CZ 3.2Å; E1042-R1045 IonicContact OE1-NE 3.81Å; E1042-R1045 IonicContact OE1-NH1 2.73Å; E1042-R1045 PolarHBondContact OE1-NH1 2.91Å; E1042-R1045 IonicContact OE2-NH1 3.86Å
1046	P	80.8	Confident	71.8	Confident	41 Å²	41	97.9 Å²	97.9	27%	0.266	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-64.7	151.1	178.7	-25	36.7	0	0	0	113	W1006 T1008 V1027 Q1044 A1048	W1006-P1046 HydrophobicContact CB-CG 4.28Å; T1008-P1046 HydrophobicContact CG2-CB 3.59Å; T1008-P1046 HydrophobicContact CG2-CG 3.64Å; V1027-P1046 HydrophobicContact CG1-CB 4.44Å; V1027-P1046 HydrophobicContact CG1-CG 4.49Å; Q1044-P1046 VanDerWaalsContact O-CD 3.25Å; Q1044-P1046 WeakPolarHBondContact O-CD 3.49Å; P1046-A1048 PolarHBondContact O-N 2.04Å
1047	A	76.3	Confident	70.6	Confident	68 Å²	68	100.9 Å²	100.9	56%	0.562	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-59.5	133.6	175.1	0	0	0	0	0	111.8	R1025	R1025-A1047 PolarHBondContact NE-O 3.33Å; R1025-A1047 PolarHBondContact NH2-O 2.81Å
1048	A	78.6	Confident	69.2	Low	40 Å²	40	103.8 Å²	103.8	33%	0.331	54%	0.542	S	S	.	.			trans	-101.2	-2.2	-175.1	0	0	0	0	0	114.6	W1011 M1024 R1025 V1027 P1046	W1011-A1048 VanDerWaalsContact CZ3-C 3.5Å; W1011-A1048 WeakPolarHBondContact CZ3-O 3.32Å; M1024-A1048 VanDerWaalsContact CA-O 3.27Å; M1024-A1048 WeakPolarHBondContact CA-O 3.41Å; R1025-A1048 PolarHBondContact N-O 3.44Å; V1027-A1048 HydrophobicContact CB-CB 4.34Å; V1027-A1048 HydrophobicContact CG2-CB 3.69Å; P1046-A1048 PolarHBondContact O-N 2.04Å
1049	M	77.1	Confident	67.5	Low	97 Å²	97	101.9 Å²	101.9	48%	0.478	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139	178.9	-171.1	172.5	73.4	0	0	110.8	Q1022 E1023 M1024	Q1022-M1049 HydrophobicContact CB-CG 4.19Å; Q1022-M1049 HydrophobicContact CB-SD 4.26Å; Q1022-M1049 HydrophobicContact CG-SD 4.43Å; Q1022-M1049 PolarHBondContact OE1-SD 3.19Å; E1023-M1049 WeakPolarHBondContact O-CA 3.07Å; M1024-M1049 HydrophobicContact CG-CB 4.19Å; M1024-M1049 HydrophobicContact CG-CG 3.93Å; M1024-M1049 HydrophobicContact CG-SD 4.38Å
1050	Q	78.4	Confident	65.6	Low	88 Å²	88	102.3 Å²	102.3	41%	0.411	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	177.6	170	69.9	-179.8	21.4	0	0	111.6	W1011 Q1022 E1023	W1011-Q1050 HydrophobicContact CD2-CG 3.95Å; W1011-Q1050 HydrophobicContact CE3-CG 3.99Å; W1011-Q1050 HydrophobicContact CH2-CB 3.97Å; W1011-Q1050 HydrophobicContact CH2-CG 3.73Å; W1011-Q1050 HydrophobicContact CZ2-CB 4.19Å; W1011-Q1050 HydrophobicContact CZ2-CG 3.66Å; W1011-Q1050 VanDerWaalsContact CZ2-OE1 3.23Å; W1011-Q1050 HydrophobicContact CZ3-CB 4.35Å; W1011-Q1050 HydrophobicContact CZ3-CG 3.9Å; Q1022-Q1050 CarbonylContact C-O 3.55Å; Q1022-Q1050 VanDerWaalsContact CA-O 3.25Å; Q1022-Q1050 WeakPolarHBondContact CA-O 3.44Å; E1023-Q1050 HydrophobicContact CG-CG 3.62Å; E1023-Q1050 PolarHBondContact N-O 3.41Å; E1023-Q1050 PolarHBondContact O-N 3.32Å; E1023-Q1050 PolarHBondContact OE1-NE2 2.92Å
1051	Q	77.8	Confident	64.5	Low	154 Å²	154	106.6 Å²	106.6	72%	0.72	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.1	148.7	-178.1	-76.4	-177.2	-21.6	0	0	113.1	G1021 Q1022	G1021-Q1051 WeakPolarHBondContact O-CA 3.39Å; Q1022-Q1051 HydrophobicContact CG-CG 4.23Å
1052	C	71.1	Confident	62.3	Low	14 Å²	14	107.2 Å²	107.2	10%	0.095	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.9	177.3	-171.4	58.5	0	0	0	0	112.1	C1014 L1020 G1021 Q1022 E1023	C1014-C1052 WeakPolarHBondContact CA-SG 3.16Å; C1014-C1052 HydrophobicContact CB-CB 3.75Å; C1014-C1052 WeakPolarHBondContact CB-SG 3.18Å; C1014-C1052 WeakPolarHBondContact SG-CB 3.48Å; C1014-C1052 CovalentContact SG-SG 2.03Å; C1014-C1052 PolarHBondContact SG-SG 3.3Å; L1020-C1052 WeakPolarHBondContact CA-O 2.98Å; G1021-C1052 PolarHBondContact N-O 3.26Å; G1021-C1052 PolarHBondContact O-N 3.38Å; G1021-C1052 PolarHBondContact O-SG 3.02Å; Q1022-C1052 VanDerWaalsContact CA-SG 3.56Å; Q1022-C1052 PolarHBondContact N-SG 3.23Å; Q1022-C1052 VanDerWaalsContact N-SG 3.39Å; E1023-C1052 HydrophobicContact CB-CB 4.18Å; E1023-C1052 HydrophobicContact CG-CB 3.88Å; E1023-C1052 PolarHBondContact N-SG 2.85Å; E1023-C1052 VanDerWaalsContact N-SG 3.41Å; E1023-C1052 WeakPolarHBondContact OE2-CB 3.43Å
1053	K	66.7	Low	60.2	Low	158 Å²	158	109.4 Å²	109.4	69%	0.687	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-150.6	135.2	-180	-157.6	176.4	-175.4	174.9	0	113.6	C1014 G1019 L1020	C1014-K1053 PolarHBondContact SG-N 3.39Å; G1019-K1053 CarbonylContact O-C 3.55Å; G1019-K1053 VanDerWaalsContact O-CA 3.25Å; G1019-K1053 WeakPolarHBondContact O-CA 3.23Å; G1019-K1053 VanDerWaalsContact O-CG 3.31Å; G1019-K1053 WeakPolarHBondContact O-CG 3.08Å; L1020-K1053 HydrophobicContact CD2-CB 4.11Å; L1020-K1053 HydrophobicContact CD2-CD 3.96Å; L1020-K1053 HydrophobicContact CD2-CG 4Å; L1020-K1053 HydrophobicContact CG-CD 4.37Å; L1020-K1053 HydrophobicContact CG-CG 4.36Å
1054	S	56.8	Low	58.3	Low	49 Å²	49	107.1 Å²	107.1	34%	0.343	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130	176.7	-175.3	-157.8	0	0	0	0	115.5	A1016 R1017 G1019	A1016-S1054 WeakPolarHBondContact O-CB 3.21Å; R1017-S1054 WeakPolarHBondContact O-CB 3.43Å; R1017-S1054 PolarHBondContact O-OG 2.03Å; G1019-S1054 PolarHBondContact N-O 2.91Å; G1019-S1054 PolarHBondContact O-N 3.47Å
1055	K	55.8	Low	56.5	Low	196 Å²	196	109.5 Å²	109.5	85%	0.852	61%	0.611	S	S	*	*			trans	-139	148.9	-178.3	-62.6	-179.5	178.8	-179.6	0	111.2	R1017	R1017-K1055 CarbonylContact O-C 3.29Å; R1017-K1055 VanDerWaalsContact O-C 3.29Å; R1017-K1055 PolarHBondContact O-N 3.4Å
1056	C	44.9	Very low	54.3	Low	85 Å²	85	109.9 Å²	109.9	57%	0.574	62%	0.622	S	S	*	*			trans	-114.2	153	-175.1	-83.4	0	0	0	0	115	R1017 C1018	R1017-C1056 VanDerWaalsContact C-SG 3.53Å; R1017-C1056 PolarHBondContact O-SG 2.94Å; C1018-C1056 HydrophobicContact CB-CB 4.23Å; C1018-C1056 VanDerWaalsContact CB-SG 3.57Å
1057	D	40.4	Very low	53.1	Low	169 Å²	169	112.8 Å²	112.8	90%	0.904	64%	0.641	S	S	*	*			trans	-157.3	-179.4	144.5	-138.9	-37.8	0	0	0	111.6
1058	A	41.3	Very low	51.6	Low	85 Å²	85	118.2 Å²	118.2	70%	0.702	65%	0.654	S	S	*	*			trans	-130.5	157.6	-157.4	0	0	0	0	0	119.3
1059	S	36	Very low	50.5	Low	122 Å²	122	123.6 Å²	123.6	85%	0.853	67%	0.672	S	S	*	*			trans	159.6	179.9	148.4	51.3	0	0	0	0	113.4
1060	L	29	Very low	49.8	Very low	164 Å²	164	122.3 Å²	122.3	86%	0.859	67%	0.672	S	S	*	*			trans	-152.6	-177.3	-157.2	-73.7	172.2	0	0	0	111.6
1061	P	55.7	Low	49	Very low	107 Å²	107	125 Å²	125	70%	0.695	68%	0.682	S	S	*	*			cis	-136	-160.8	-43.3	32.9	-11.5	0	0	0	114.1
1062	V	31.3	Very low	48.6	Very low	115 Å²	115	120.1 Å²	120.1	70%	0.697	66%	0.661	S	S	*	*			trans	125.8	114.9	141.8	-178.3	0	0	0	0	120.6
1063	N	32	Very low	48.5	Very low	156 Å²	156	122 Å²	122	83%	0.834	67%	0.673	S	S	*	*			trans	73.5	169.6	146.2	-66.6	9.4	0	0	0	126.2
1064	S	35.3	Very low	47.9	Very low	102 Å²	102	120.2 Å²	120.2	71%	0.713	68%	0.68	S	S	*	*			trans	-160.1	-164.2	-148.4	54.3	0	0	0	0	112.8
1065	E	39.1	Very low	47.8	Very low	168 Å²	168	123.7 Å²	123.7	79%	0.785	70%	0.699	S	S	*	*			trans	84	147.5	172.8	-58.4	-163.9	-163.5	0	0	116.9
1066	N	35.6	Very low	47.6	Very low	130 Å²	130	116.8 Å²	116.8	70%	0.695	67%	0.673	S	S	*	*			cis	-157.3	-144.6	-13.8	-120.1	-33.7	0	0	0	110
1067	P	55	Low	48	Very low	102 Å²	102	118 Å²	118	66%	0.662	69%	0.69	S	S	*	*				-124.9	-174.8	-85.4	37.8	-19.6	0	0	0	115.4
1068	E	45.5	Very low	49.1	Very low	182 Å²	182	113.7 Å²	113.7	85%	0.85	66%	0.661	S	S	*	*			trans	157.8	168.6	131.7	-78.3	-111.4	130.3	0	0	115.7
1069	E	55.8	Low	50.5	Low	152 Å²	152	110.1 Å²	110.1	71%	0.71	63%	0.631	S	S	*	*			trans	-76.6	170.1	-153.6	-59.9	-167.1	130.5	0	0	120.2	K1071	E1069-K1071 IonicContact OE2-NZ 3.83Å; E1069-K1071 PolarHBondContact OE2-NZ 2.02Å
1070	C	61.7	Low	52	Low	71 Å²	71	108.9 Å²	108.9	48%	0.48	62%	0.62	S	S	.	*			trans	-124.6	140.4	-179.6	-149.2	0	0	0	0	113.3	C1098	C1070-C1098 HydrophobicContact CB-CB 4.07Å; C1070-C1098 WeakPolarHBondContact CB-SG 3.46Å; C1070-C1098 WeakPolarHBondContact SG-CB 2.98Å; C1070-C1098 CovalentContact SG-SG 2.03Å; C1070-C1098 PolarHBondContact SG-SG 3.5Å
1071	K	62.7	Low	53.9	Low	143 Å²	143	105.3 Å²	105.3	62%	0.622	60%	0.602	S	S	*	*			trans	-140.7	159	-175	-75.3	163.8	-177.5	134.1	0	112	E1069	E1069-K1071 IonicContact OE2-NZ 3.83Å; E1069-K1071 PolarHBondContact OE2-NZ 2.02Å
1072	D	69.1	Low	54.6	Low	52 Å²	52	100.5 Å²	100.5	28%	0.278	57%	0.57	S	S	.	*	B	Isolated β-bridge	trans	-79.1	142.3	173.9	-77.5	-9.4	0	0	0	111.7	S1074 C1097 C1098 K1099 T1100	D1072-S1074 PolarHBondContact O-N 2.91Å; D1072-C1097 WeakPolarHBondContact OD1-CA 3.04Å; D1072-C1098 PolarHBondContact OD1-N 3.41Å; D1072-K1099 WeakPolarHBondContact OD1-CA 3.07Å; D1072-K1099 WeakPolarHBondContact OD1-CB 3.33Å; D1072-K1099 PolarHBondContact OD1-N 2.94Å; D1072-T1100 PolarHBondContact OD1-N 3.25Å; D1072-T1100 WeakPolarHBondContact OD2-CB 3.29Å; D1072-T1100 PolarHBondContact OD2-N 2.88Å; D1072-T1100 VanDerWaalsContact OD2-N 3.12Å; D1072-T1100 PolarHBondContact OD2-OG1 3.01Å
1073	V	67.9	Low	56.4	Low	54 Å²	54	98.1 Å²	98.1	33%	0.327	55%	0.553	S	S	.	*			trans	-83.4	108.3	178.1	-179	0	0	0	0	110.5	T1075 M1096	V1073-T1075 VanDerWaalsContact C-N 3.27Å; V1073-T1075 WeakPolarHBondContact CG1-OG1 3.21Å; V1073-T1075 PolarHBondContact O-N 3.21Å; V1073-M1096 HydrophobicContact CG2-SD 4.16Å; V1073-M1096 PolarHBondContact N-O 3.37Å
1074	S	54.6	Low	58.2	Low	121 Å²	121	100.2 Å²	100.2	85%	0.846	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.8	-169.1	57.1	0	0	0	0	116.4	D1072 V1076	D1072-S1074 PolarHBondContact O-N 2.91Å; S1074-V1076 VanDerWaalsContact C-N 3.32Å; S1074-V1076 PolarHBondContact O-N 3.31Å
1075	T	56.1	Low	59.9	Low	122 Å²	122	101.6 Å²	101.6	75%	0.748	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	0.5	-173.7	51.9	0	0	0	0	114.8	V1073	V1073-T1075 VanDerWaalsContact C-N 3.27Å; V1073-T1075 WeakPolarHBondContact CG1-OG1 3.21Å; V1073-T1075 PolarHBondContact O-N 3.21Å
1076	V	50.5	Low	61.6	Low	50 Å²	50	101.9 Å²	101.9	30%	0.303	54%	0.541	S	S	.	.			trans	-137.5	113.3	-178	-107.8	0	0	0	0	112.5	S1074 Y1078 M1096	S1074-V1076 VanDerWaalsContact C-N 3.32Å; S1074-V1076 PolarHBondContact O-N 3.31Å; V1076-Y1078 HydrophobicContact CB-CD1 3.97Å; V1076-Y1078 HydrophobicContact CB-CE1 3.62Å; V1076-Y1078 HydrophobicContact CG1-CD1 3.96Å; V1076-Y1078 HydrophobicContact CG1-CE1 3.4Å; V1076-Y1078 HydrophobicContact CG2-CE1 4.34Å; V1076-Y1078 PolarHBondContact O-N 3.2Å; V1076-M1096 HydrophobicContact CG2-CE 4.43Å
1077	A	54.1	Low	63.4	Low	111 Å²	111	100.2 Å²	100.2	92%	0.917	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	36.6	-171.4	0	0	0	0	0	115.3
1078	Y	63.8	Low	64.1	Low	78 Å²	78	95.5 Å²	95.5	31%	0.306	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-2.4	-176.6	62.7	-121.1	0	0	0	116.4	V1076 P1080 L1081 V1082	V1076-Y1078 HydrophobicContact CB-CD1 3.97Å; V1076-Y1078 HydrophobicContact CB-CE1 3.62Å; V1076-Y1078 HydrophobicContact CG1-CD1 3.96Å; V1076-Y1078 HydrophobicContact CG1-CE1 3.4Å; V1076-Y1078 HydrophobicContact CG2-CE1 4.34Å; V1076-Y1078 PolarHBondContact O-N 3.2Å; Y1078-P1080 VanDerWaalsContact C-CD 3.47Å; Y1078-P1080 VanDerWaalsContact C-N 3.31Å; Y1078-L1081 WeakPolarHBondContact O-CA 3.32Å; Y1078-L1081 VanDerWaalsContact O-CB 3.31Å; Y1078-L1081 WeakPolarHBondContact O-CB 3.25Å; Y1078-L1081 PolarHBondContact O-N 2.98Å; Y1078-V1082 HydrophobicContact CD2-CG2 4.1Å; Y1078-V1082 PolarHBondContact O-N 3.14Å
1079	C	69.1	Low	65.2	Low	10 Å²	10	92.7 Å²	92.7	7%	0.068	49%	0.488	C	S	.	.	H	α-helix	trans	-52.9	-39.6	178.4	-68.2	0	0	0	0	114.2	L1081 V1082 L1083 C1097 T1100	C1079-L1081 PolarHBondContact O-N 3.26Å; C1079-L1081 VanDerWaalsContact O-N 3.13Å; C1079-V1082 WeakPolarHBondContact O-CB 3.48Å; C1079-V1082 PolarHBondContact O-N 2.86Å; C1079-L1083 PolarHBondContact O-N 2.85Å; C1079-C1097 WeakPolarHBondContact CA-SG 3.42Å; C1079-C1097 HydrophobicContact CB-CB 3.74Å; C1079-C1097 WeakPolarHBondContact CB-SG 2.95Å; C1079-C1097 WeakPolarHBondContact SG-CB 3.46Å; C1079-C1097 CovalentContact SG-SG 2.05Å; C1079-C1097 PolarHBondContact SG-SG 3.47Å; C1079-T1100 HydrophobicContact CB-CG2 4.17Å; C1079-T1100 WeakPolarHBondContact O-CG2 3.19Å
1080	P	67.4	Low	65.9	Low	96 Å²	96	93 Å²	93	62%	0.623	48%	0.483	S	S	*	.	H	α-helix	trans	-59.4	-24.2	173.1	-26.6	36.4	0	0	0	114.9	Y1078 R1084	Y1078-P1080 VanDerWaalsContact C-CD 3.47Å; Y1078-P1080 VanDerWaalsContact C-N 3.31Å; P1080-R1084 WeakPolarHBondContact O-CB 3.33Å; P1080-R1084 PolarHBondContact O-N 2.95Å
1081	L	69.3	Low	66	Low	90 Å²	90	94.4 Å²	94.4	47%	0.471	49%	0.491	S	S	.	.	H	α-helix	trans	-79.5	-32.6	175.3	-56.5	176.1	0	0	0	111.9	Y1078 C1079 L1083 R1084 F1085	Y1078-L1081 WeakPolarHBondContact O-CA 3.32Å; Y1078-L1081 VanDerWaalsContact O-CB 3.31Å; Y1078-L1081 WeakPolarHBondContact O-CB 3.25Å; Y1078-L1081 PolarHBondContact O-N 2.98Å; C1079-L1081 PolarHBondContact O-N 3.26Å; C1079-L1081 VanDerWaalsContact O-N 3.13Å; L1081-L1083 VanDerWaalsContact C-N 3.29Å; L1081-L1083 PolarHBondContact O-N 3.28Å; L1081-R1084 PolarHBondContact O-N 2.89Å; L1081-F1085 HydrophobicContact CB-CD2 4.46Å; L1081-F1085 VanDerWaalsContact O-CD2 3.32Å; L1081-F1085 WeakPolarHBondContact O-CD2 3.4Å; L1081-F1085 PolarHBondContact O-N 3.01Å
1082	V	70.9	Confident	66.5	Low	5 Å²	5	94.4 Å²	94.4	3%	0.03	49%	0.488	C	S	.	.	H	α-helix	trans	-57.9	-44.1	175.7	178.2	0	0	0	0	110.5	Y1078 C1079 K1086 F1087 F1093	Y1078-V1082 HydrophobicContact CD2-CG2 4.1Å; Y1078-V1082 PolarHBondContact O-N 3.14Å; C1079-V1082 WeakPolarHBondContact O-CB 3.48Å; C1079-V1082 PolarHBondContact O-N 2.86Å; V1082-K1086 PolarHBondContact O-N 2.92Å; V1082-F1087 HydrophobicContact CG1-CB 3.97Å; V1082-F1087 PolarHBondContact O-N 2.91Å; V1082-F1093 HydrophobicContact CG1-CB 3.8Å; V1082-F1093 HydrophobicContact CG1-CD1 4.3Å; V1082-F1093 HydrophobicContact CG1-CG 4.22Å; V1082-F1093 HydrophobicContact CG2-CD1 3.87Å; V1082-F1093 HydrophobicContact CG2-CE1 4.43Å
1083	L	69.8	Low	66.4	Low	65 Å²	65	94.8 Å²	94.8	34%	0.34	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-48.7	174.4	-179.9	59.1	0	0	0	111.8	C1079 L1081 F1085 K1086 T1100 H1104	C1079-L1083 PolarHBondContact O-N 2.85Å; L1081-L1083 VanDerWaalsContact C-N 3.29Å; L1081-L1083 PolarHBondContact O-N 3.28Å; L1083-F1085 PolarHBondContact O-N 2.73Å; L1083-F1085 VanDerWaalsContact O-N 3.14Å; L1083-K1086 PolarHBondContact O-N 3.43Å; L1083-T1100 HydrophobicContact CB-CG2 4.14Å; L1083-H1104 HydrophobicContact CD1-CB 3.82Å; L1083-H1104 WeakPolarHBondContact CD1-CD2 3.25Å
1084	R	69.4	Low	66.4	Low	201 Å²	201	99.3 Å²	99.3	76%	0.758	50%	0.499	S	S	*	.	H	α-helix	trans	-57.6	-30.1	-178.2	-173.7	171.7	-179.6	147.7	1.2	113.8	P1080 L1081	P1080-R1084 WeakPolarHBondContact O-CB 3.33Å; P1080-R1084 PolarHBondContact O-N 2.95Å; L1081-R1084 PolarHBondContact O-N 2.89Å
1085	F	71.5	Confident	67.1	Low	130 Å²	130	100.6 Å²	100.6	57%	0.57	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	14.6	177.2	-64.4	-71.4	0	0	0	114.1	L1081 L1083 F1087	L1081-F1085 HydrophobicContact CB-CD2 4.46Å; L1081-F1085 VanDerWaalsContact O-CD2 3.32Å; L1081-F1085 WeakPolarHBondContact O-CD2 3.4Å; L1081-F1085 PolarHBondContact O-N 3.01Å; L1083-F1085 PolarHBondContact O-N 2.73Å; L1083-F1085 VanDerWaalsContact O-N 3.14Å; F1085-F1087 HydrophobicContact CB-CD2 3.7Å; F1085-F1087 HydrophobicContact CB-CE2 3.39Å; F1085-F1087 HydrophobicContact CB-CZ 4.11Å; F1085-F1087 HydrophobicContact CG-CE2 4.32Å; F1085-F1087 PolarHBondContact O-N 3.4Å
1086	K	73.3	Confident	67.6	Low	174 Å²	174	97.4 Å²	97.4	76%	0.757	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	39.7	175.7	-60.6	-166.7	175.8	-169.6	0	115.4	V1082 L1083	V1082-K1086 PolarHBondContact O-N 2.92Å; L1083-K1086 PolarHBondContact O-N 3.43Å
1087	F	73.1	Confident	68.7	Low	96 Å²	96	95 Å²	95	42%	0.421	45%	0.454	S	S	.	.			trans	-89.9	2.9	178.6	-65	-52.2	0	0	0	114.9	V1082 F1085 N1089 R1090 F1093	V1082-F1087 HydrophobicContact CG1-CB 3.97Å; V1082-F1087 PolarHBondContact O-N 2.91Å; F1085-F1087 HydrophobicContact CB-CD2 3.7Å; F1085-F1087 HydrophobicContact CB-CE2 3.39Å; F1085-F1087 HydrophobicContact CB-CZ 4.11Å; F1085-F1087 HydrophobicContact CG-CE2 4.32Å; F1085-F1087 PolarHBondContact O-N 3.4Å; F1087-N1089 PolarHBondContact O-N 3.04Å; F1087-R1090 WeakPolarHBondContact O-CB 3.13Å; F1087-R1090 PolarHBondContact O-N 3.1Å; F1087-F1093 HydrophobicContact CB-CD2 4.23Å
1088	C	71.3	Confident	69.7	Low	3 Å²	3	90.7 Å²	90.7	2%	0.02	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.6	-179.7	-71.8	0	0	0	0	115.2	R1090 C1101	C1088-R1090 PolarHBondContact O-N 2.97Å; C1088-C1101 WeakPolarHBondContact CA-SG 3.26Å; C1088-C1101 HydrophobicContact CB-CB 3.46Å; C1088-C1101 VanDerWaalsContact CB-CB 3.46Å; C1088-C1101 WeakPolarHBondContact CB-SG 3.39Å; C1088-C1101 WeakPolarHBondContact SG-CA 3.25Å; C1088-C1101 WeakPolarHBondContact SG-CB 3.48Å; C1088-C1101 CovalentContact SG-SG 2.04Å; C1088-C1101 PolarHBondContact SG-SG 2.94Å
1089	N	68.1	Low	70.2	Confident	122 Å²	122	93.8 Å²	93.8	65%	0.652	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.1	173.1	59.2	15	0	0	0	114.2	F1087	F1087-N1089 PolarHBondContact O-N 3.04Å
1090	R	70.1	Confident	70.5	Confident	160 Å²	160	95.1 Å²	95.1	60%	0.604	44%	0.439	S	S	*	.	S	Bend	trans	-92.9	123.8	178.1	-65.5	-77.7	-179.9	153.6	-2.2	110.1	F1087 C1088 Y1092 F1093 R1094	F1087-R1090 WeakPolarHBondContact O-CB 3.13Å; F1087-R1090 PolarHBondContact O-N 3.1Å; C1088-R1090 PolarHBondContact O-N 2.97Å; R1090-Y1092 VanDerWaalsContact C-N 3.33Å; R1090-Y1092 PolarHBondContact O-N 3.4Å; R1090-Y1092 VanDerWaalsContact O-N 3.17Å; R1090-F1093 HydrophobicContact CB-CD2 3.88Å; R1090-F1093 HydrophobicContact CG-CD2 4.47Å; R1090-F1093 PolarHBondContact O-N 3.06Å; R1090-F1093 VanDerWaalsContact O-N 3.12Å; R1090-R1094 PolarHBondContact O-N 3.19Å
1091	P	64.8	Low	70.7	Confident	99 Å²	99	90.6 Å²	90.6	64%	0.643	41%	0.41	S	S	*	.	H	α-helix	trans	-52.7	-43	-173.5	-30.2	35.4	0	0	0	115.3	F1093 R1094 Q1095	P1091-F1093 PolarHBondContact O-N 2.71Å; P1091-R1094 CarbonylContact O-C 3.34Å; P1091-R1094 PolarHBondContact O-N 3.31Å; P1091-Q1095 PolarHBondContact O-N 2.94Å
1092	Y	71.5	Confident	70.8	Confident	143 Å²	143	93.2 Å²	93.2	56%	0.561	42%	0.42	S	S	*	.	H	α-helix	trans	-58.3	-45.9	179.2	178	-98.9	0	0	0	113.1	R1090 Q1095 M1096	R1090-Y1092 VanDerWaalsContact C-N 3.33Å; R1090-Y1092 PolarHBondContact O-N 3.4Å; R1090-Y1092 VanDerWaalsContact O-N 3.17Å; Y1092-Q1095 PolarHBondContact O-N 3.48Å; Y1092-M1096 WeakPolarHBondContact O-CG 3.27Å; Y1092-M1096 PolarHBondContact O-N 3.38Å
1093	F	68.6	Low	70.5	Confident	60 Å²	60	96.4 Å²	96.4	26%	0.263	45%	0.454	S	S	.	.	H	α-helix	trans	-72.9	-32.4	177.3	-69.4	-71.4	0	0	0	111.8	V1082 F1087 R1090 P1091 Q1095 M1096 C1097	V1082-F1093 HydrophobicContact CG1-CB 3.8Å; V1082-F1093 HydrophobicContact CG1-CD1 4.3Å; V1082-F1093 HydrophobicContact CG1-CG 4.22Å; V1082-F1093 HydrophobicContact CG2-CD1 3.87Å; V1082-F1093 HydrophobicContact CG2-CE1 4.43Å; F1087-F1093 HydrophobicContact CB-CD2 4.23Å; R1090-F1093 HydrophobicContact CB-CD2 3.88Å; R1090-F1093 HydrophobicContact CG-CD2 4.47Å; R1090-F1093 PolarHBondContact O-N 3.06Å; R1090-F1093 VanDerWaalsContact O-N 3.12Å; P1091-F1093 PolarHBondContact O-N 2.71Å; F1093-Q1095 VanDerWaalsContact C-N 3.29Å; F1093-Q1095 PolarHBondContact O-N 2.92Å; F1093-M1096 PolarHBondContact O-N 3.34Å; F1093-C1097 WeakPolarHBondContact O-CA 3.14Å; F1093-C1097 WeakPolarHBondContact O-CB 3.1Å; F1093-C1097 PolarHBondContact O-N 3.05Å
1094	R	67	Low	69.9	Low	150 Å²	150	101.2 Å²	101.2	57%	0.566	47%	0.474	S	S	*	.	H	α-helix	trans	-69.7	-21.6	174.5	-163.1	173.8	-179.7	-174	0.4	113.6	R1090 P1091 C1098 C1101	R1090-R1094 PolarHBondContact O-N 3.19Å; P1091-R1094 CarbonylContact O-C 3.34Å; P1091-R1094 PolarHBondContact O-N 3.31Å; R1094-C1098 WeakPolarHBondContact O-CA 3.42Å; R1094-C1098 VanDerWaalsContact O-CB 3.26Å; R1094-C1098 WeakPolarHBondContact O-CB 3.43Å; R1094-C1101 HydrophobicContact CG-CB 4.46Å
1095	Q	68.9	Low	69.9	Low	148 Å²	148	96.2 Å²	96.2	69%	0.692	46%	0.46	S	S	*	.	H	α-helix	trans	-81.7	-45.7	169.7	-75.1	178.3	-46.1	0	0	112.1	P1091 Y1092 F1093	P1091-Q1095 PolarHBondContact O-N 2.94Å; Y1092-Q1095 PolarHBondContact O-N 3.48Å; F1093-Q1095 VanDerWaalsContact C-N 3.29Å; F1093-Q1095 PolarHBondContact O-N 2.92Å
1096	M	67.9	Low	69.8	Low	54 Å²	54	94.4 Å²	94.4	27%	0.266	45%	0.454	S	S	.	.	H	α-helix	trans	-75	-32.5	-176	-66.9	-75.2	-78.3	0	0	113.6	V1073 V1076 Y1092 F1093	V1073-M1096 HydrophobicContact CG2-SD 4.16Å; V1073-M1096 PolarHBondContact N-O 3.37Å; V1076-M1096 HydrophobicContact CG2-CE 4.43Å; Y1092-M1096 WeakPolarHBondContact O-CG 3.27Å; Y1092-M1096 PolarHBondContact O-N 3.38Å; F1093-M1096 PolarHBondContact O-N 3.34Å
1097	C	73.1	Confident	69.6	Low	0 Å²	0	90 Å²	90	0%	0	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-122.8	47	-179.8	-60.2	0	0	0	0	110.2	D1072 C1079 F1093 K1099 T1100 C1101	D1072-C1097 WeakPolarHBondContact OD1-CA 3.04Å; C1079-C1097 WeakPolarHBondContact CA-SG 3.42Å; C1079-C1097 HydrophobicContact CB-CB 3.74Å; C1079-C1097 WeakPolarHBondContact CB-SG 2.95Å; C1079-C1097 WeakPolarHBondContact SG-CB 3.46Å; C1079-C1097 CovalentContact SG-SG 2.05Å; C1079-C1097 PolarHBondContact SG-SG 3.47Å; F1093-C1097 WeakPolarHBondContact O-CA 3.14Å; F1093-C1097 WeakPolarHBondContact O-CB 3.1Å; F1093-C1097 PolarHBondContact O-N 3.05Å; C1097-K1099 PolarHBondContact O-N 3.37Å; C1097-T1100 PolarHBondContact O-N 3.39Å; C1097-C1101 VanDerWaalsContact O-CB 3.3Å; C1097-C1101 WeakPolarHBondContact O-CB 3.25Å; C1097-C1101 PolarHBondContact O-N 2.03Å
1098	C	74.9	Confident	69.4	Low	21 Å²	21	89.6 Å²	89.6	14%	0.142	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-41.5	-171.9	-165	0	0	0	0	114.9	C1070 D1072 R1094 C1101 Q1102	C1070-C1098 HydrophobicContact CB-CB 4.07Å; C1070-C1098 WeakPolarHBondContact CB-SG 3.46Å; C1070-C1098 WeakPolarHBondContact SG-CB 2.98Å; C1070-C1098 CovalentContact SG-SG 2.03Å; C1070-C1098 PolarHBondContact SG-SG 3.5Å; D1072-C1098 PolarHBondContact OD1-N 3.41Å; R1094-C1098 WeakPolarHBondContact O-CA 3.42Å; R1094-C1098 VanDerWaalsContact O-CB 3.26Å; R1094-C1098 WeakPolarHBondContact O-CB 3.43Å; C1098-C1101 CarbonylContact O-C 3.24Å; C1098-Q1102 PolarHBondContact O-N 3.01Å
1099	K	74.6	Confident	69.3	Low	143 Å²	143	95.1 Å²	95.1	62%	0.622	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-40	177.6	-178.7	179.9	179.2	176.8	0	111.3	D1072 C1097 C1101 Q1102	D1072-K1099 WeakPolarHBondContact OD1-CA 3.07Å; D1072-K1099 WeakPolarHBondContact OD1-CB 3.33Å; D1072-K1099 PolarHBondContact OD1-N 2.94Å; C1097-K1099 PolarHBondContact O-N 3.37Å; K1099-C1101 PolarHBondContact O-N 2.9Å; K1099-Q1102 WeakPolarHBondContact O-CB 3.31Å; K1099-Q1102 PolarHBondContact O-N 3.08Å
1100	T	74.8	Confident	69.4	Low	37 Å²	37	93.3 Å²	93.3	23%	0.227	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27	174.1	-67.1	0	0	0	0	112.3	D1072 C1079 L1083 C1097	D1072-T1100 PolarHBondContact OD1-N 3.25Å; D1072-T1100 WeakPolarHBondContact OD2-CB 3.29Å; D1072-T1100 PolarHBondContact OD2-N 2.88Å; D1072-T1100 VanDerWaalsContact OD2-N 3.12Å; D1072-T1100 PolarHBondContact OD2-OG1 3.01Å; C1079-T1100 HydrophobicContact CB-CG2 4.17Å; C1079-T1100 WeakPolarHBondContact O-CG2 3.19Å; L1083-T1100 HydrophobicContact CB-CG2 4.14Å; C1097-T1100 PolarHBondContact O-N 3.39Å
1101	C	70.9	Confident	69.3	Low	1 Å²	1	88.5 Å²	88.5	1%	0.007	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	17.4	176.1	-69.4	0	0	0	0	114.2	C1088 R1094 C1097 C1098 K1099 G1103	C1088-C1101 WeakPolarHBondContact CA-SG 3.26Å; C1088-C1101 HydrophobicContact CB-CB 3.46Å; C1088-C1101 VanDerWaalsContact CB-CB 3.46Å; C1088-C1101 WeakPolarHBondContact CB-SG 3.39Å; C1088-C1101 WeakPolarHBondContact SG-CA 3.25Å; C1088-C1101 WeakPolarHBondContact SG-CB 3.48Å; C1088-C1101 CovalentContact SG-SG 2.04Å; C1088-C1101 PolarHBondContact SG-SG 2.94Å; R1094-C1101 HydrophobicContact CG-CB 4.46Å; C1097-C1101 VanDerWaalsContact O-CB 3.3Å; C1097-C1101 WeakPolarHBondContact O-CB 3.25Å; C1097-C1101 PolarHBondContact O-N 2.03Å; C1098-C1101 CarbonylContact O-C 3.24Å; K1099-C1101 PolarHBondContact O-N 2.9Å; C1101-G1103 PolarHBondContact O-N 3.49Å
1102	Q	73.3	Confident	69.7	Low	146 Å²	146	87.7 Å²	87.7	68%	0.682	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	85.9	-179	-162	168.8	7.9	0	0	110.8	C1098 K1099	C1098-Q1102 PolarHBondContact O-N 3.01Å; K1099-Q1102 WeakPolarHBondContact O-CB 3.31Å; K1099-Q1102 PolarHBondContact O-N 3.08Å
1103	G	63.5	Low	69.5	Low	72 Å²	72	83.1 Å²	83.1	74%	0.742	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.5	12.4	178.1	0	0	0	0	0	115.8	C1101	C1101-G1103 PolarHBondContact O-N 3.49Å
1104	H	56.8	Low	69.6	Low	165 Å²	165	85.2 Å²	85.2	76%	0.764	43%	0.428	S	S	*	.			trans	-139	0	-177.4	-67.8	-54.4	0	0	0	112.6	L1083	L1083-H1104 HydrophobicContact CD1-CB 3.82Å; L1083-H1104 WeakPolarHBondContact CD1-CD2 3.25Å

Retrieved 1,104 of 1,104 residues in 1128.8 ms (Link to these results)

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