A0A096M2T8_POEFO Loading...

Toll like receptor 7

AlphaFold DB , UniProt , Accession A0A096M2T8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,060 aa.

						>A0A096M2T8_POEFO|A0A096M2T8
MIKKMCRTTCYFHMCGALLGLGFCNQTTSAISYPKTLPCDVSKDKNGTTVKVDCTERSLKFVPKAIPGETTNLTLTINHIPNLNSTSFRGLDNLTEIDMRCNCVPIKIGPKDNMCTKSVTIAEDTFTALRNLRALYLDGNQLDSIPKGLPSNLVLLSLEVNHIFYISKENLSEIQNVQVLYLGQNCYYRNPCNVSYDIEDGAFLQLENLTLLSLKSNNLSFIPYRLPVSLRQLYLYNNNIQEVSDEDFKNLTNLEILDISGNCPRCYNAPFPCTPCPNNAPLKISKGAFKMLTKLKTLRLHSNSLTCILPEWFTSTKDLRVLDLSSNFLARDIGTTDFPKFLGKLEELDLSFNYELQRYPQTLRLNSSFSSLMSLEILRLKGYVFQQLKPESIAPLKRLPNLTVLDLGTNFIKMANLSILMELKSFHIISLSDNKISSPSDAQTAFGFNGGEPMLWSPMSAADQFQNKEVREIHYFRYDEYARSCKYKDKELGIVTLFVKKECSDFGKTLDVSRNNIFFLHSRFLNLKELRCLNLSGNAMSQSLNGSEFSNLTNLQYLDFSSNRLDLLYSTAFKELSNLVILDISKNNHYFESEGLTHMLNFTKNLKKLKILLMNHNKISTSTNTEMESDSLEKLEFRGNRLDMLWRDGDTRYIHYFKKLRNLKLLDISSNNLRSVRREVFSGLPDNLTELHIKKNKLYFFAWGELQLLRSLKVLDLSGNYLTSVPRVLSNCTTSLEKLVLHDNKILKLTPNFLQEALSLKYLDLSFNLIKHIEQSSFPDNVVKKMEKLLLHKNSFLCTCNASWFITWLNKTTVTIPRLGIDVTCASPGVQKGHLVVSVDLQACQHSFLSIILYTLMTSLLLGFITLSIASHLYLWDVWYIYHFCRAKLKGYTRLSSQSEVYDAFVMFDKNDPAVSEWVMKEMCHHLEERGDRRLTLCLEERDWVPGCPLIDNLSQSIHKSKRTVFILTKKYIQGGNFRTAFYMAHQRLMDEKNDVIVLIFLEKVSCNSKYLRLRKRLYKRSVLEWPTNPQAQPYFWFSLRSVLATESHKQYSNLFKETL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	29.8	Very low	238 Å²	238	173.7 Å²	173.7	100%	1.172	87%	0.865	S	S	*	*				0	121.2	0	-98.6	-175.2	178.4	0	0	106.4
2	I	32.7	Very low	29.9	Very low	138 Å²	138	176 Å²	176	71%	0.708	87%	0.866	S	S	*	*			cis	-151.7	113	18.3	-86.2	164.7	0	0	0	104
3	K	27.8	Very low	30.2	Very low	169 Å²	169	177.8 Å²	177.8	74%	0.735	87%	0.871	S	S	*	*				69.5	109	102.6	-76.1	178.1	174.6	173.3	0	112.9
4	K	29.6	Very low	30.3	Very low	181 Å²	181	178.6 Å²	178.6	79%	0.787	88%	0.875	S	S	*	*				89.1	96.1	101.2	-78.9	-175.7	172.3	-174.2	0	112.1
5	M	28.9	Very low	30.5	Very low	210 Å²	210	176.2 Å²	176.2	100%	1.034	88%	0.881	S	S	*	*				-137.2	99.7	120.3	-120.7	173.6	159	0	0	107.7
6	C	26.3	Very low	30.6	Very low	111 Å²	111	170.3 Å²	170.3	75%	0.75	88%	0.879	S	S	*	*			trans	-132.7	147.9	178.9	-173.2	0	0	0	0	104.7
7	R	28.5	Very low	30.8	Very low	232 Å²	232	166 Å²	166	88%	0.875	87%	0.874	S	S	*	*			trans	87.7	105.9	-169.9	-57.5	175.1	175.3	-172.5	-4.5	110.2
8	T	29	Very low	31	Very low	132 Å²	132	166.2 Å²	166.2	81%	0.81	88%	0.875	S	S	*	*	S	Bend		-165.9	117	56.6	9.2	0	0	0	0	109
9	T	28.9	Very low	31.2	Very low	153 Å²	153	167.1 Å²	167.1	94%	0.939	88%	0.879	S	S	*	*			trans	-177.3	67.4	145.4	30.3	0	0	0	0	107.5
10	C	28.2	Very low	31.3	Very low	121 Å²	121	162.6 Å²	162.6	82%	0.818	88%	0.875	S	S	*	*			trans	-120	91.3	161.8	-99.8	0	0	0	0	106.4
11	Y	32.1	Very low	31.5	Very low	226 Å²	226	163.8 Å²	163.8	89%	0.886	88%	0.88	S	S	*	*	S	Bend	trans	-168	130.8	154.2	-96.4	-74.9	0	0	0	105.3
12	F	31.5	Very low	31.4	Very low	201 Å²	201	155.2 Å²	155.2	88%	0.882	85%	0.853	S	S	*	*	S	Bend	trans	99.1	33.4	-171.6	-68.2	-81.8	0	0	0	119.4
13	H	33.2	Very low	31.3	Very low	199 Å²	199	157.9 Å²	157.9	92%	0.921	86%	0.859	S	S	*	*			trans	-140.8	59.5	154.1	-96.5	-54.3	0	0	0	112.4
14	M	32.7	Very low	31.2	Very low	189 Å²	189	156 Å²	156	93%	0.931	87%	0.866	S	S	*	*			trans	-150.8	82.7	164.9	-107.9	-148.4	169.8	0	0	109.5
15	C	33.3	Very low	31	Very low	143 Å²	143	153 Å²	153	97%	0.966	86%	0.859	S	S	*	*	S	Bend	trans	-167.4	22.2	157.1	-126	0	0	0	0	115.5
16	G	32.3	Very low	30.9	Very low	82 Å²	82	152 Å²	152	85%	0.845	85%	0.851	S	S	*	*	S	Bend	trans	-135.4	19.3	-173.6	0	0	0	0	0	115.9
17	A	33.4	Very low	30.9	Very low	97 Å²	97	152.2 Å²	152.2	80%	0.802	85%	0.85	S	S	*	*	S	Bend	trans	-126.6	69.5	-177.8	0	0	0	0	0	110.1
18	L	33.9	Very low	30.8	Very low	169 Å²	169	147.7 Å²	147.7	89%	0.885	85%	0.848	S	S	*	*	S	Bend	trans	-162.8	18.7	166.5	-108.3	163.4	0	0	0	114.8
19	L	35.5	Very low	30.8	Very low	184 Å²	184	146.2 Å²	146.2	96%	0.963	84%	0.843	S	S	*	*	S	Bend	trans	-142.5	91.7	171.3	-82.9	171.4	0	0	0	109.7
20	G	32.6	Very low	31.1	Very low	76 Å²	76	143.4 Å²	143.4	78%	0.784	84%	0.836	S	S	*	*			trans	172.1	19	179.3	0	0	0	0	0	114.8
21	L	36.2	Very low	31.9	Very low	189 Å²	189	142.2 Å²	142.2	99%	0.99	82%	0.82	S	S	*	*			trans	-100.6	95.2	163.8	-82	166.5	0	0	0	107
22	G	33.7	Very low	33	Very low	58 Å²	58	136.3 Å²	136.3	60%	0.598	81%	0.812	S	S	*	*			trans	150.8	80.2	-178.8	0	0	0	0	0	109.6
23	F	30	Very low	34.7	Very low	193 Å²	193	128.9 Å²	128.9	85%	0.846	78%	0.778	S	S	*	*			trans	168.2	63.1	145.8	-84.5	-61.8	0	0	0	107.8	N25	F23-N25 PolarHBondContact O-N 2.97Å; F23-N25 VanDerWaalsContact O-N 3.08Å
24	C	25.3	Very low	36.4	Very low	130 Å²	130	122.1 Å²	122.1	88%	0.878	75%	0.752	S	S	*	*			trans	-78.5	75.6	153.4	-152.2	0	0	0	0	106	Q26	C24-Q26 PolarHBondContact O-N 3.44Å; C24-Q26 VanDerWaalsContact O-N 3.09Å
25	N	25.2	Very low	38.3	Very low	119 Å²	119	115.6 Å²	115.6	64%	0.636	72%	0.719	S	S	*	*			trans	-67.7	107.3	163.5	-97.1	-4.5	0	0	0	105.7	F23 T27	F23-N25 PolarHBondContact O-N 2.97Å; F23-N25 VanDerWaalsContact O-N 3.08Å; N25-T27 PolarHBondContact O-N 3.22Å
26	Q	27.3	Very low	40.3	Very low	187 Å²	187	112 Å²	112	87%	0.874	69%	0.692	S	S	*	*			trans	-54.5	84.6	153.1	-74.2	-179.8	-14.2	0	0	107.3	C24 T28	C24-Q26 PolarHBondContact O-N 3.44Å; C24-Q26 VanDerWaalsContact O-N 3.09Å; Q26-T28 PolarHBondContact O-N 3.18Å
27	T	26.1	Very low	42.8	Very low	117 Å²	117	108.6 Å²	108.6	72%	0.718	65%	0.654	S	S	*	*			trans	-72.5	108.5	156.7	45.4	0	0	0	0	104.4	N25 S29	N25-T27 PolarHBondContact O-N 3.22Å; T27-S29 PolarHBondContact O-N 2.72Å
28	T	26.4	Very low	45.2	Very low	137 Å²	137	105 Å²	105	84%	0.84	62%	0.623	S	S	*	*			trans	-52.6	97.9	160.6	40.5	0	0	0	0	106.5	Q26 A30	Q26-T28 PolarHBondContact O-N 3.18Å; T28-A30 VanDerWaalsContact C-N 3.34Å; T28-A30 PolarHBondContact O-N 3.1Å
29	S	29.2	Very low	47.7	Very low	101 Å²	101	97.5 Å²	97.5	71%	0.706	58%	0.584	S	S	*	*			trans	-61.6	102.9	172.2	52.9	0	0	0	0	106.3	T27 I31	T27-S29 PolarHBondContact O-N 2.72Å; S29-I31 PolarHBondContact O-N 3.23Å
30	A	36.2	Very low	50	Low	94 Å²	94	92 Å²	92	78%	0.777	56%	0.556	S	S	*	*			trans	-53.5	114.6	167	0	0	0	0	0	106.8	T28 S32	T28-A30 VanDerWaalsContact C-N 3.34Å; T28-A30 PolarHBondContact O-N 3.1Å; A30-S32 PolarHBondContact O-N 3.24Å
31	I	44.6	Very low	52.5	Low	95 Å²	95	90.6 Å²	90.6	49%	0.487	53%	0.532	S	S	.	.			trans	-58	106.9	-179.6	-64.1	164	0	0	0	107.1	S29 Y33	S29-I31 PolarHBondContact O-N 3.23Å; I31-Y33 HydrophobicContact CG2-CD1 4.34Å; I31-Y33 HydrophobicContact CG2-CE1 3.77Å
32	S	54.8	Low	54.8	Low	103 Å²	103	84.5 Å²	84.5	72%	0.72	51%	0.505	S	S	*	.			trans	-87.8	110.4	-179.5	-169.9	0	0	0	0	108.5	A30	A30-S32 PolarHBondContact O-N 3.24Å
33	Y	66.7	Low	57	Low	44 Å²	44	85.7 Å²	85.7	17%	0.173	49%	0.494	C	S	.	.			trans	-71.6	148.3	176.4	-66.8	-58.2	0	0	0	111.7	I31 K35 V41 K43 P67 E69	I31-Y33 HydrophobicContact CG2-CD1 4.34Å; I31-Y33 HydrophobicContact CG2-CE1 3.77Å; Y33-K35 PolarHBondContact O-N 2.81Å; Y33-V41 HydrophobicContact CD2-CB 4.01Å; Y33-V41 HydrophobicContact CD2-CG1 3.64Å; Y33-V41 HydrophobicContact CD2-CG2 4.41Å; Y33-V41 HydrophobicContact CE2-CB 4.38Å; Y33-V41 HydrophobicContact CE2-CG1 3.53Å; Y33-V41 HydrophobicContact CG-CG1 4.26Å; Y33-V41 HydrophobicContact CG-CG2 4.43Å; Y33-K43 WeakPolarHBondContact OH-CE 3.44Å; Y33-K43 PolarHBondContact OH-NZ 3.11Å; Y33-P67 HydrophobicContact CD1-CB 4.02Å; Y33-P67 HydrophobicContact CD1-CG 3.28Å; Y33-P67 HydrophobicContact CE1-CB 3.58Å; Y33-P67 HydrophobicContact CE1-CG 3.3Å; Y33-P67 HydrophobicContact CG-CG 4.25Å; Y33-E69 WeakPolarHBondContact CE1-OE1 3.32Å; Y33-E69 PolarHBondContact OH-OE1 3.45Å
34	P	68.2	Low	59.3	Low	58 Å²	58	79.8 Å²	79.8	38%	0.377	47%	0.472	S	S	.	.			trans	-60	116.9	179.2	21.7	-29.9	0	0	0	109.8	T36 L37 A65	P34-T36 PolarHBondContact O-N 2.71Å; P34-T36 VanDerWaalsContact O-N 3.09Å; P34-L37 WeakPolarHBondContact O-CB 3.48Å; P34-L37 PolarHBondContact O-N 3.4Å; P34-A65 HydrophobicContact CG-CB 4.1Å; P34-A65 WeakPolarHBondContact CG-O 3.38Å
35	K	73	Confident	61.3	Low	52 Å²	52	83.8 Å²	83.8	23%	0.226	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	-178.9	-69.8	179.1	175.6	171.5	0	114.2	Y33 L37 L809 N810 T812 L819 V837	Y33-K35 PolarHBondContact O-N 2.81Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L809 VanDerWaalsContact CD-O 3.28Å; K35-L809 WeakPolarHBondContact CD-O 3.38Å; K35-L809 PolarHBondContact NZ-O 3.29Å; K35-N810 PolarHBondContact NZ-O 2.79Å; K35-T812 WeakPolarHBondContact CE-O 3.44Å; K35-T812 PolarHBondContact NZ-O 3.29Å; K35-L819 HydrophobicContact CB-CD2 4.17Å; K35-L819 HydrophobicContact CD-CD2 4.45Å; K35-V837 HydrophobicContact CB-CG2 4.23Å
36	T	75.9	Confident	63.4	Low	67 Å²	67	85 Å²	85	41%	0.411	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12	172.5	54.5	0	0	0	0	112.8	P34 P38 V837	P34-T36 PolarHBondContact O-N 2.71Å; P34-T36 VanDerWaalsContact O-N 3.09Å; T36-P38 WeakPolarHBondContact O-CD 3.38Å; T36-V837 HydrophobicContact CG2-CG1 4.29Å
37	L	84.6	Confident	65.2	Low	10 Å²	10	78 Å²	78	5%	0.052	46%	0.459	C	S	.	.			trans	-62.6	122.9	176.9	-175.5	71.5	0	0	0	108.9	P34 K35 C39 V41 V52 P63 A65 I66	P34-L37 WeakPolarHBondContact O-CB 3.48Å; P34-L37 PolarHBondContact O-N 3.4Å; K35-L37 VanDerWaalsContact C-N 3.3Å; L37-C39 HydrophobicContact CD2-CB 4.06Å; L37-C39 HydrophobicContact CG-CB 3.94Å; L37-C39 PolarHBondContact O-N 2.78Å; L37-V41 HydrophobicContact CD2-CG2 3.57Å; L37-V52 HydrophobicContact CD2-CG1 4.28Å; L37-P63 HydrophobicContact CD1-CB 4.05Å; L37-A65 HydrophobicContact CD1-CB 4.32Å; L37-I66 HydrophobicContact CD1-CG1 3.97Å
38	P	83.9	Confident	67.6	Low	23 Å²	23	77.5 Å²	77.5	15%	0.149	46%	0.456	C	S	.	.	S	Bend	trans	-76.9	24.9	-179.4	33.1	-36.4	0	0	0	112.4	T36 R57 L59 P63 I821	T36-P38 WeakPolarHBondContact O-CD 3.38Å; P38-R57 WeakPolarHBondContact O-CG 3.14Å; P38-L59 HydrophobicContact CB-CD2 4.13Å; P38-L59 HydrophobicContact CG-CD2 3.69Å; P38-P63 HydrophobicContact CG-CB 4.41Å; P38-P63 HydrophobicContact CG-CG 3.91Å; P38-I821 HydrophobicContact CB-CD1 3.74Å; P38-I821 HydrophobicContact CB-CG1 3.49Å; P38-I821 VanDerWaalsContact CB-CG1 3.49Å; P38-I821 VanDerWaalsContact O-CD1 3.22Å; P38-I821 WeakPolarHBondContact O-CD1 3.4Å
39	C	86	Confident	70.3	Confident	10 Å²	10	72.6 Å²	72.6	7%	0.068	43%	0.426	C	S	.	.	S	Bend	trans	-133.7	148.6	-172.7	-48.8	0	0	0	0	110.3	L37 V52 D53 C54	L37-C39 HydrophobicContact CD2-CB 4.06Å; L37-C39 HydrophobicContact CG-CB 3.94Å; L37-C39 PolarHBondContact O-N 2.78Å; C39-V52 HydrophobicContact CB-CG1 3.62Å; C39-D53 CarbonylContact C-O 3.2Å; C39-D53 WeakPolarHBondContact CA-O 3.22Å; C39-D53 WeakPolarHBondContact CB-O 3.22Å; C39-C54 HydrophobicContact CB-CB 3.96Å; C39-C54 WeakPolarHBondContact CB-SG 3.19Å; C39-C54 WeakPolarHBondContact SG-CB 3.03Å; C39-C54 CovalentContact SG-SG 2.03Å; C39-C54 PolarHBondContact SG-SG 3.03Å
40	D	84.3	Confident	73.2	Confident	69 Å²	69	68 Å²	68	37%	0.369	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.7	176.2	-61.4	-22.2	0	0	0	108.5	D53 R57	D40-D53 PolarHBondContact N-O 2.74Å; D40-D53 PolarHBondContact O-N 3.24Å; D40-R57 IonicContact OD1-NH1 3.95Å; D40-R57 IonicContact OD1-NH2 2.69Å; D40-R57 PolarHBondContact OD1-NH2 2.89Å; D40-R57 IonicContact OD2-CZ 2.89Å; D40-R57 IonicContact OD2-NH2 3.11Å; D40-R57 PolarHBondContact OD2-NH2 2.04Å
41	V	84.8	Confident	75.8	Confident	46 Å²	46	67 Å²	67	28%	0.279	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.1	179.6	-171.7	0	0	0	0	109	Y33 L37 V50 K51 V52	Y33-V41 HydrophobicContact CD2-CB 4.01Å; Y33-V41 HydrophobicContact CD2-CG1 3.64Å; Y33-V41 HydrophobicContact CD2-CG2 4.41Å; Y33-V41 HydrophobicContact CE2-CB 4.38Å; Y33-V41 HydrophobicContact CE2-CG1 3.53Å; Y33-V41 HydrophobicContact CG-CG1 4.26Å; Y33-V41 HydrophobicContact CG-CG2 4.43Å; L37-V41 HydrophobicContact CD2-CG2 3.57Å; V41-V50 HydrophobicContact CG1-CG1 4.14Å; V41-K51 WeakPolarHBondContact CA-O 3.37Å; V41-V52 HydrophobicContact CG1-CG2 4.34Å; V41-V52 HydrophobicContact CG2-CG2 4.28Å
42	S	83.8	Confident	78.1	Confident	61 Å²	61	62.6 Å²	62.6	43%	0.427	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.4	176	60.6	0	0	0	0	111	K51	S42-K51 PolarHBondContact N-O 2.89Å; S42-K51 PolarHBondContact O-N 2.03Å
43	K	81.5	Confident	79.8	Confident	84 Å²	84	60.7 Å²	60.7	37%	0.365	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.2	175.4	-64.8	-168.2	174.9	-165.5	0	108.8	Y33 V50 E69	Y33-K43 WeakPolarHBondContact OH-CE 3.44Å; Y33-K43 PolarHBondContact OH-NZ 3.11Å; K43-V50 HydrophobicContact CG-CG2 4.34Å; K43-E69 IonicContact NZ-OE1 2.8Å; K43-E69 IonicContact NZ-OE2 3.34Å
44	D	77.6	Confident	81	Confident	69 Å²	69	58.6 Å²	58.6	37%	0.369	32%	0.322	S	S	.	.			trans	-69.6	160.9	168.7	-70.5	-17.1	0	0	0	109.9	N46 G47 T49 K51	D44-N46 PolarHBondContact O-N 2.89Å; D44-G47 PolarHBondContact O-N 2.95Å; D44-T49 WeakPolarHBondContact CB-OG1 3.03Å; D44-T49 PolarHBondContact N-O 3.35Å; D44-T49 PolarHBondContact OD2-OG1 3.09Å; D44-K51 IonicContact OD1-NZ 3.65Å; D44-K51 PolarHBondContact OD1-NZ 2.8Å; D44-K51 IonicContact OD2-NZ 2.75Å; D44-K51 PolarHBondContact OD2-NZ 3.36Å
45	K	67.3	Low	82	Confident	214 Å²	214	56.9 Å²	56.9	93%	0.93	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.9	-171.6	-66.8	-177.7	179.7	179.1	0	114.8
46	N	69.4	Low	82.8	Confident	143 Å²	143	58.2 Å²	58.2	77%	0.765	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.6	179	-64.2	2.1	0	0	0	113.1	D44 T48	D44-N46 PolarHBondContact O-N 2.89Å; N46-T48 HydrophobicContact CB-CG2 4.27Å; N46-T48 PolarHBondContact O-N 3.32Å; N46-T48 VanDerWaalsContact O-N 3.16Å
47	G	65.3	Low	83.3	Confident	42 Å²	42	56.4 Å²	56.4	43%	0.433	30%	0.304	S	S	.	.	S	Bend	trans	70.3	1.1	-179.3	0	0	0	0	0	115.6	D44	D44-G47 PolarHBondContact O-N 2.95Å
48	T	76.3	Confident	83.5	Confident	106 Å²	106	59.8 Å²	59.8	65%	0.65	33%	0.328	S	S	*	.			trans	-74.4	-23.8	-175.4	51.4	0	0	0	0	113.9	N46	N46-T48 HydrophobicContact CB-CG2 4.27Å; N46-T48 PolarHBondContact O-N 3.32Å; N46-T48 VanDerWaalsContact O-N 3.16Å
49	T	83.7	Confident	83.8	Confident	34 Å²	34	59.6 Å²	59.6	21%	0.209	33%	0.326	C	S	.	.			trans	-119.6	129.1	177.9	55.9	0	0	0	0	109.1	D44 T71	D44-T49 WeakPolarHBondContact CB-OG1 3.03Å; D44-T49 PolarHBondContact N-O 3.35Å; D44-T49 PolarHBondContact OD2-OG1 3.09Å; T49-T71 WeakPolarHBondContact CA-OG1 3.12Å
50	V	90	Very high	84	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.3	176	-178.7	0	0	0	0	106.9	V41 K43 E69 T71 N72	V41-V50 HydrophobicContact CG1-CG1 4.14Å; K43-V50 HydrophobicContact CG-CG2 4.34Å; V50-E69 HydrophobicContact CG2-CB 4.39Å; V50-T71 PolarHBondContact N-OG1 3.25Å; V50-T71 PolarHBondContact O-N 3.24Å; V50-T71 PolarHBondContact O-OG1 3.44Å; V50-N72 PolarHBondContact O-N 2.79Å
51	K	90.3	Very high	84.4	Confident	74 Å²	74	70 Å²	70	32%	0.322	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.2	-176.8	-63.7	172	-177.6	149.7	0	109.2	V41 S42 D44 N72	V41-K51 WeakPolarHBondContact CA-O 3.37Å; S42-K51 PolarHBondContact N-O 2.89Å; S42-K51 PolarHBondContact O-N 2.03Å; D44-K51 IonicContact OD1-NZ 3.65Å; D44-K51 PolarHBondContact OD1-NZ 2.8Å; D44-K51 IonicContact OD2-NZ 2.75Å; D44-K51 PolarHBondContact OD2-NZ 3.36Å; K51-N72 HydrophobicContact CG-CB 4.07Å
52	V	92.1	Very high	84.9	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110.3	175.2	179.1	0	0	0	0	108.5	L37 C39 V41 I66 T70 N72 L73 T74	L37-V52 HydrophobicContact CD2-CG1 4.28Å; C39-V52 HydrophobicContact CB-CG1 3.62Å; V41-V52 HydrophobicContact CG1-CG2 4.34Å; V41-V52 HydrophobicContact CG2-CG2 4.28Å; V52-I66 HydrophobicContact CG2-CG2 4.37Å; V52-T70 HydrophobicContact CB-CG2 3.98Å; V52-T70 HydrophobicContact CG2-CG2 3.58Å; V52-T70 WeakPolarHBondContact CG2-OG1 3.39Å; V52-N72 PolarHBondContact N-O 3.43Å; V52-L73 HydrophobicContact CB-CD1 4.11Å; V52-L73 HydrophobicContact CG1-CD1 4Å; V52-T74 PolarHBondContact O-N 3.4Å
53	D	90.6	Very high	85.2	Confident	63 Å²	63	66.2 Å²	66.2	34%	0.337	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	107.2	-177.4	-173.6	-1.8	0	0	0	111.4	C39 D40 T55	C39-D53 CarbonylContact C-O 3.2Å; C39-D53 WeakPolarHBondContact CA-O 3.22Å; C39-D53 WeakPolarHBondContact CB-O 3.22Å; D40-D53 PolarHBondContact N-O 2.74Å; D40-D53 PolarHBondContact O-N 3.24Å; D53-T55 WeakPolarHBondContact OD1-CB 3.03Å; D53-T55 PolarHBondContact OD1-N 2.77Å; D53-T55 PolarHBondContact OD1-OG1 3.32Å
54	C	91.9	Very high	85.3	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.368	C	S	.	.			trans	-107.3	30	175.9	-46.1	0	0	0	0	112	C39 R57 L59 T74 L75 N78	C39-C54 HydrophobicContact CB-CB 3.96Å; C39-C54 WeakPolarHBondContact CB-SG 3.19Å; C39-C54 WeakPolarHBondContact SG-CB 3.03Å; C39-C54 CovalentContact SG-SG 2.03Å; C39-C54 PolarHBondContact SG-SG 3.03Å; C54-R57 VanDerWaalsContact C-CG 3.47Å; C54-R57 HydrophobicContact CB-CG 4.43Å; C54-R57 VanDerWaalsContact O-CG 3.29Å; C54-R57 WeakPolarHBondContact O-CG 3.1Å; C54-L59 HydrophobicContact CB-CD1 3.67Å; C54-T74 CarbonylContact C-O 3.53Å; C54-T74 VanDerWaalsContact CA-O 3.31Å; C54-T74 WeakPolarHBondContact CA-O 3.44Å; C54-T74 WeakPolarHBondContact CB-O 3.03Å; C54-T74 PolarHBondContact N-O 3.08Å; C54-L75 HydrophobicContact CB-CD2 3.98Å; C54-N78 PolarHBondContact O-ND2 3.31Å
55	T	90.3	Very high	85.7	Confident	23 Å²	23	71.1 Å²	71.1	14%	0.141	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	135.7	179.6	-58.5	0	0	0	0	112.3	D53 R57 T74 T76	D53-T55 WeakPolarHBondContact OD1-CB 3.03Å; D53-T55 PolarHBondContact OD1-N 2.77Å; D53-T55 PolarHBondContact OD1-OG1 3.32Å; T55-R57 VanDerWaalsContact C-N 3.34Å; T55-R57 WeakPolarHBondContact O-CD 3.44Å; T55-R57 WeakPolarHBondContact O-CG 3.29Å; T55-R57 PolarHBondContact O-N 3.12Å; T55-R57 PolarHBondContact O-NE 2.95Å; T55-T74 WeakPolarHBondContact OG1-CG2 3.39Å; T55-T76 WeakPolarHBondContact CA-O 3.48Å
56	E	88.7	Confident	86.7	Confident	80 Å²	80	61.6 Å²	61.6	37%	0.374	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	38.7	175.1	-69.2	170.8	-161.9	0	0	113.8	T76 I77 K486	E56-T76 PolarHBondContact N-O 2.75Å; E56-T76 VanDerWaalsContact N-O 3.12Å; E56-I77 WeakPolarHBondContact CA-O 3.5Å; E56-I77 HydrophobicContact CG-CB 3.91Å; E56-I77 HydrophobicContact CG-CD1 3.92Å; E56-I77 HydrophobicContact CG-CG2 3.83Å; E56-I77 PolarHBondContact N-O 3.31Å; E56-K486 VanDerWaalsContact CD-NZ 3.31Å; E56-K486 IonicContact OE1-NZ 3.01Å; E56-K486 PolarHBondContact OE1-NZ 3.3Å; E56-K486 IonicContact OE2-NZ 3.53Å; E56-K486 PolarHBondContact OE2-NZ 3.45Å; E56-K486 VanDerWaalsContact OE2-NZ 3.13Å
57	R	87.1	Confident	87.6	Confident	28 Å²	28	55.4 Å²	55.4	11%	0.106	30%	0.295	C	S	.	.			trans	-103.5	2.6	-175.4	-58.2	-40.2	178.9	120.4	-4.9	114.2	P38 D40 C54 T55 L59 N78 I821	P38-R57 WeakPolarHBondContact O-CG 3.14Å; D40-R57 IonicContact OD1-NH1 3.95Å; D40-R57 IonicContact OD1-NH2 2.69Å; D40-R57 PolarHBondContact OD1-NH2 2.89Å; D40-R57 IonicContact OD2-CZ 2.89Å; D40-R57 IonicContact OD2-NH2 3.11Å; D40-R57 PolarHBondContact OD2-NH2 2.04Å; C54-R57 VanDerWaalsContact C-CG 3.47Å; C54-R57 HydrophobicContact CB-CG 4.43Å; C54-R57 VanDerWaalsContact O-CG 3.29Å; C54-R57 WeakPolarHBondContact O-CG 3.1Å; T55-R57 VanDerWaalsContact C-N 3.34Å; T55-R57 WeakPolarHBondContact O-CD 3.44Å; T55-R57 WeakPolarHBondContact O-CG 3.29Å; T55-R57 PolarHBondContact O-N 3.12Å; T55-R57 PolarHBondContact O-NE 2.95Å; R57-L59 HydrophobicContact CB-CD1 4.29Å; R57-L59 HydrophobicContact CB-CD2 4.24Å; R57-L59 HydrophobicContact CB-CG 3.85Å; R57-L59 PolarHBondContact O-N 2.79Å; R57-N78 WeakPolarHBondContact CA-OD1 3.04Å; R57-N78 PolarHBondContact N-OD1 3.26Å; R57-I821 HydrophobicContact CB-CD1 3.5Å; R57-I821 VanDerWaalsContact CB-CD1 3.5Å; R57-I821 HydrophobicContact CG-CD1 3.53Å
58	S	88.3	Confident	88.6	Confident	81 Å²	81	55.3 Å²	55.3	57%	0.566	29%	0.293	S	S	*	.			trans	55	32.6	-179	-54.7	0	0	0	0	113.3	N78	S58-N78 PolarHBondContact N-OD1 3.43Å
59	L	90.6	Very high	89.3	Confident	20 Å²	20	53.6 Å²	53.6	11%	0.105	28%	0.278	C	S	.	.			trans	-68.3	140.3	-179	-60.3	175.3	0	0	0	111	P38 C54 R57 P63 L75 N78 H79 I80	P38-L59 HydrophobicContact CB-CD2 4.13Å; P38-L59 HydrophobicContact CG-CD2 3.69Å; C54-L59 HydrophobicContact CB-CD1 3.67Å; R57-L59 HydrophobicContact CB-CD1 4.29Å; R57-L59 HydrophobicContact CB-CD2 4.24Å; R57-L59 HydrophobicContact CB-CG 3.85Å; R57-L59 PolarHBondContact O-N 2.79Å; L59-P63 HydrophobicContact CD1-CG 3.92Å; L59-P63 HydrophobicContact CD2-CG 4.29Å; L59-L75 HydrophobicContact CD1-CD2 4.24Å; L59-N78 HydrophobicContact CB-CB 4.08Å; L59-N78 WeakPolarHBondContact CG-OD1 3.49Å; L59-N78 PolarHBondContact N-OD1 2.91Å; L59-H79 CarbonylContact O-C 3.1Å; L59-H79 WeakPolarHBondContact O-CA 3.31Å; L59-H79 PolarHBondContact O-N 2.89Å; L59-I80 HydrophobicContact CB-CG1 4.43Å; L59-I80 PolarHBondContact O-N 3.21Å
60	K	91.3	Very high	89.7	Confident	156 Å²	156	52 Å²	52	68%	0.678	27%	0.268	S	S	*	.	S	Bend	trans	-102.5	-11.3	174.3	-63.7	-175.1	178.7	-176.7	0	113.4	P81	K60-P81 WeakPolarHBondContact O-CD 3.35Å
61	F	92.8	Very high	89.9	Confident	141 Å²	141	52.7 Å²	52.7	62%	0.618	27%	0.272	S	S	*	.	S	Bend	trans	-152.9	159.3	-179.6	52.9	-92.9	0	0	0	109.1	P63	F61-P63 WeakPolarHBondContact O-CD 3.42Å
62	V	93.3	Very high	90.1	Very high	14 Å²	14	50.3 Å²	50.3	9%	0.085	26%	0.263	C	S	.	.			trans	-68.6	123	173.1	-175.3	0	0	0	0	109.1	K64 I66 L73 L75 I80 L83 S87 F88	V62-K64 PolarHBondContact O-N 3Å; V62-I66 HydrophobicContact CG1-CD1 3.83Å; V62-L73 HydrophobicContact CG1-CD2 4.48Å; V62-L75 HydrophobicContact CG1-CD1 4.4Å; V62-L75 HydrophobicContact CG2-CD1 3.92Å; V62-I80 HydrophobicContact CG2-CD1 4.26Å; V62-L83 HydrophobicContact CG2-CD2 3.87Å; V62-S87 WeakPolarHBondContact CG1-O 3.32Å; V62-F88 HydrophobicContact CG1-CE1 4.42Å; V62-F88 HydrophobicContact CG2-CE1 4.31Å
63	P	90.4	Very high	90.3	Very high	13 Å²	13	50.3 Å²	50.3	8%	0.084	26%	0.263	C	S	.	.			trans	-61.9	130.5	-178.3	-23.9	33.2	0	0	0	112.8	L37 P38 L59 F61 A65 I66	L37-P63 HydrophobicContact CD1-CB 4.05Å; P38-P63 HydrophobicContact CG-CB 4.41Å; P38-P63 HydrophobicContact CG-CG 3.91Å; L59-P63 HydrophobicContact CD1-CG 3.92Å; L59-P63 HydrophobicContact CD2-CG 4.29Å; F61-P63 WeakPolarHBondContact O-CD 3.42Å; P63-A65 VanDerWaalsContact C-N 3.27Å; P63-A65 PolarHBondContact O-N 3.2Å; P63-I66 HydrophobicContact CB-CD1 4.42Å; P63-I66 HydrophobicContact CB-CG1 4.26Å; P63-I66 VanDerWaalsContact O-CD1 3.27Å; P63-I66 WeakPolarHBondContact O-CD1 3.41Å; P63-I66 VanDerWaalsContact O-CG1 3.26Å; P63-I66 WeakPolarHBondContact O-CG1 3.28Å
64	K	85	Confident	90.5	Very high	211 Å²	211	48.1 Å²	48.1	92%	0.917	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-17.1	179.4	-65.7	-174.9	178.4	-179.1	0	114.6	V62 I66	V62-K64 PolarHBondContact O-N 3Å; K64-I66 VanDerWaalsContact C-N 3.26Å; K64-I66 PolarHBondContact O-N 3.48Å
65	A	84.8	Confident	90.7	Very high	45 Å²	45	48.1 Å²	48.1	37%	0.372	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	11.8	-176.6	0	0	0	0	0	113.5	P34 L37 P63	P34-A65 HydrophobicContact CG-CB 4.1Å; P34-A65 WeakPolarHBondContact CG-O 3.38Å; L37-A65 HydrophobicContact CD1-CB 4.32Å; P63-A65 VanDerWaalsContact C-N 3.27Å; P63-A65 PolarHBondContact O-N 3.2Å
66	I	88.9	Confident	90.9	Very high	14 Å²	14	47 Å²	47	7%	0.072	25%	0.246	C	C	.	.			trans	-65.8	134.9	177.1	-66.1	167.1	0	0	0	108.8	L37 V52 V62 P63 K64 T70 L73 L91	L37-I66 HydrophobicContact CD1-CG1 3.97Å; V52-I66 HydrophobicContact CG2-CG2 4.37Å; V62-I66 HydrophobicContact CG1-CD1 3.83Å; P63-I66 HydrophobicContact CB-CD1 4.42Å; P63-I66 HydrophobicContact CB-CG1 4.26Å; P63-I66 VanDerWaalsContact O-CD1 3.27Å; P63-I66 WeakPolarHBondContact O-CD1 3.41Å; P63-I66 VanDerWaalsContact O-CG1 3.26Å; P63-I66 WeakPolarHBondContact O-CG1 3.28Å; K64-I66 VanDerWaalsContact C-N 3.26Å; K64-I66 PolarHBondContact O-N 3.48Å; I66-T70 HydrophobicContact CG2-CG2 4.26Å; I66-T70 WeakPolarHBondContact CG2-OG1 3.4Å; I66-L73 HydrophobicContact CD1-CD1 3.78Å; I66-L73 HydrophobicContact CD1-CD2 4.04Å; I66-L91 HydrophobicContact CB-CD1 4.32Å; I66-L91 HydrophobicContact CB-CD2 4.04Å; I66-L91 HydrophobicContact CD1-CD1 4.36Å; I66-L91 HydrophobicContact CG2-CD1 4.02Å; I66-L91 HydrophobicContact CG2-CD2 3.61Å
67	P	88.1	Confident	91.1	Very high	14 Å²	14	45.6 Å²	45.6	9%	0.091	24%	0.24	C	C	.	.			trans	-62.5	137	178.9	-22.5	34.2	0	0	0	112.6	Y33 E69 T70 L91	Y33-P67 HydrophobicContact CD1-CB 4.02Å; Y33-P67 HydrophobicContact CD1-CG 3.28Å; Y33-P67 HydrophobicContact CE1-CB 3.58Å; Y33-P67 HydrophobicContact CE1-CG 3.3Å; Y33-P67 HydrophobicContact CG-CG 4.25Å; P67-E69 HydrophobicContact CB-CG 4.36Å; P67-E69 PolarHBondContact O-N 3.04Å; P67-T70 VanDerWaalsContact O-CB 3.23Å; P67-T70 WeakPolarHBondContact O-CB 3.04Å; P67-T70 PolarHBondContact O-N 3.23Å; P67-T70 PolarHBondContact O-OG1 3.16Å; P67-L91 WeakPolarHBondContact O-CD2 3.4Å
68	G	87.2	Confident	91.3	Very high	39 Å²	39	44.3 Å²	44.3	40%	0.402	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.2	177.2	0	0	0	0	0	114.7	T70 G90	G68-T70 PolarHBondContact O-N 3.25Å; G68-G90 WeakPolarHBondContact CA-O 3.17Å
69	E	89.7	Confident	91.6	Very high	70 Å²	70	44 Å²	44	33%	0.327	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.4	174	5.4	162	-142	0	0	113.7	Y33 K43 V50 P67 T71	Y33-E69 WeakPolarHBondContact CE1-OE1 3.32Å; Y33-E69 PolarHBondContact OH-OE1 3.45Å; K43-E69 IonicContact NZ-OE1 2.8Å; K43-E69 IonicContact NZ-OE2 3.34Å; V50-E69 HydrophobicContact CG2-CB 4.39Å; P67-E69 HydrophobicContact CB-CG 4.36Å; P67-E69 PolarHBondContact O-N 3.04Å; E69-T71 PolarHBondContact O-N 3.26Å
70	T	92.1	Very high	91.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.			trans	-61.5	128.2	-176.3	-58.8	0	0	0	0	111.6	V52 I66 P67 G68 L73 N93 L94	V52-T70 HydrophobicContact CB-CG2 3.98Å; V52-T70 HydrophobicContact CG2-CG2 3.58Å; V52-T70 WeakPolarHBondContact CG2-OG1 3.39Å; I66-T70 HydrophobicContact CG2-CG2 4.26Å; I66-T70 WeakPolarHBondContact CG2-OG1 3.4Å; P67-T70 VanDerWaalsContact O-CB 3.23Å; P67-T70 WeakPolarHBondContact O-CB 3.04Å; P67-T70 PolarHBondContact O-N 3.23Å; P67-T70 PolarHBondContact O-OG1 3.16Å; G68-T70 PolarHBondContact O-N 3.25Å; T70-L73 HydrophobicContact CG2-CB 4.37Å; T70-N93 CarbonylContact O-C 3.47Å; T70-L94 HydrophobicContact CG2-CD2 3.86Å; T70-L94 PolarHBondContact O-N 3.06Å
71	T	94.2	Very high	91.9	Very high	19 Å²	19	38.8 Å²	38.8	12%	0.117	21%	0.208	C	C	.	.			trans	-102.7	-37	177.1	60	0	0	0	0	111.9	T49 V50 E69 T95 E96	T49-T71 WeakPolarHBondContact CA-OG1 3.12Å; V50-T71 PolarHBondContact N-OG1 3.25Å; V50-T71 PolarHBondContact O-N 3.24Å; V50-T71 PolarHBondContact O-OG1 3.44Å; E69-T71 PolarHBondContact O-N 3.26Å; T71-T95 PolarHBondContact O-N 3.41Å; T71-T95 PolarHBondContact O-OG1 3.1Å; T71-T95 VanDerWaalsContact O-OG1 3.05Å; T71-E96 PolarHBondContact O-N 3.12Å; T71-E96 VanDerWaalsContact O-N 3.08Å
72	N	95.3	Very high	92	Very high	25 Å²	25	36.3 Å²	36.3	13%	0.134	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119	-178.7	-55.4	56.1	0	0	0	109.3	V50 K51 V52 E96	V50-N72 PolarHBondContact O-N 2.79Å; K51-N72 HydrophobicContact CG-CB 4.07Å; V52-N72 PolarHBondContact N-O 3.43Å; N72-E96 HydrophobicContact CB-CB 4.32Å; N72-E96 PolarHBondContact ND2-OE2 2.72Å
73	L	95.9	Very high	92	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.9	179.3	177.3	59.4	0	0	0	110.2	V52 V62 I66 T70 L75 F88 L91 L94 E96 I97 D98	V52-L73 HydrophobicContact CB-CD1 4.11Å; V52-L73 HydrophobicContact CG1-CD1 4Å; V62-L73 HydrophobicContact CG1-CD2 4.48Å; I66-L73 HydrophobicContact CD1-CD1 3.78Å; I66-L73 HydrophobicContact CD1-CD2 4.04Å; T70-L73 HydrophobicContact CG2-CB 4.37Å; L73-L75 HydrophobicContact CD1-CD2 4.18Å; L73-L75 HydrophobicContact CD1-CG 4.25Å; L73-L75 HydrophobicContact CD2-CD1 4.05Å; L73-L75 HydrophobicContact CD2-CG 4.36Å; L73-L75 HydrophobicContact CG-CD1 4.21Å; L73-L75 HydrophobicContact CG-CD2 4.44Å; L73-L75 HydrophobicContact CG-CG 4.01Å; L73-F88 HydrophobicContact CD2-CD1 4.12Å; L73-F88 HydrophobicContact CD2-CE1 3.95Å; L73-L91 HydrophobicContact CD2-CD1 4.25Å; L73-L94 HydrophobicContact CB-CD2 3.71Å; L73-L94 HydrophobicContact CD2-CD1 4.47Å; L73-E96 PolarHBondContact N-O 2.04Å; L73-I97 WeakPolarHBondContact O-CA 3.13Å; L73-D98 PolarHBondContact O-N 3.17Å
74	T	95.4	Very high	92.2	Very high	18 Å²	18	38.5 Å²	38.5	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.8	177.8	-56.2	0	0	0	0	110	V52 C54 T55 T76 D98 K488	V52-T74 PolarHBondContact O-N 3.4Å; C54-T74 CarbonylContact C-O 3.53Å; C54-T74 VanDerWaalsContact CA-O 3.31Å; C54-T74 WeakPolarHBondContact CA-O 3.44Å; C54-T74 WeakPolarHBondContact CB-O 3.03Å; C54-T74 PolarHBondContact N-O 3.08Å; T55-T74 WeakPolarHBondContact OG1-CG2 3.39Å; T74-T76 WeakPolarHBondContact CG2-OG1 3.44Å; T74-D98 CarbonylContact C-O 3.57Å; T74-D98 HydrophobicContact CG2-CB 4.18Å; T74-K488 PolarHBondContact OG1-NZ 3.19Å; T74-K488 VanDerWaalsContact OG1-NZ 3.09Å
75	L	95.6	Very high	92.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.188	C	C	.	.			trans	-119.2	24.4	-177.2	-64	169.4	0	0	0	111.5	C54 L59 V62 L73 N78 I80 F88 D98 M99 N102	C54-L75 HydrophobicContact CB-CD2 3.98Å; L59-L75 HydrophobicContact CD1-CD2 4.24Å; V62-L75 HydrophobicContact CG1-CD1 4.4Å; V62-L75 HydrophobicContact CG2-CD1 3.92Å; L73-L75 HydrophobicContact CD1-CD2 4.18Å; L73-L75 HydrophobicContact CD1-CG 4.25Å; L73-L75 HydrophobicContact CD2-CD1 4.05Å; L73-L75 HydrophobicContact CD2-CG 4.36Å; L73-L75 HydrophobicContact CG-CD1 4.21Å; L73-L75 HydrophobicContact CG-CD2 4.44Å; L73-L75 HydrophobicContact CG-CG 4.01Å; L75-N78 PolarHBondContact O-ND2 3.29Å; L75-I80 HydrophobicContact CB-CD1 4.26Å; L75-I80 HydrophobicContact CD1-CD1 4.22Å; L75-I80 HydrophobicContact CD2-CD1 4.29Å; L75-F88 HydrophobicContact CD1-CE1 4.3Å; L75-D98 WeakPolarHBondContact CA-O 3.24Å; L75-D98 PolarHBondContact N-O 3.11Å; L75-M99 HydrophobicContact CB-CG 4.33Å; L75-N102 PolarHBondContact O-ND2 3.49Å
76	T	93.5	Very high	92.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.			trans	-69.4	143.4	-171.4	-48	0	0	0	0	113.2	T55 E56 T74 N78 D98 R100 C485	T55-T76 WeakPolarHBondContact CA-O 3.48Å; E56-T76 PolarHBondContact N-O 2.75Å; E56-T76 VanDerWaalsContact N-O 3.12Å; T74-T76 WeakPolarHBondContact CG2-OG1 3.44Å; T76-N78 PolarHBondContact O-ND2 3.4Å; T76-D98 PolarHBondContact OG1-OD1 3.07Å; T76-D98 PolarHBondContact OG1-OD2 3.06Å; T76-R100 VanDerWaalsContact CA-O 3.25Å; T76-R100 WeakPolarHBondContact CA-O 3.49Å; T76-R100 HydrophobicContact CG2-CB 3.95Å; T76-R100 WeakPolarHBondContact CG2-O 3.29Å; T76-C485 WeakPolarHBondContact CG2-O 3.38Å
77	I	92.8	Very high	92.8	Very high	49 Å²	49	34 Å²	34	25%	0.251	20%	0.201	S	C	.	.	S	Bend	trans	54.7	58.7	179.8	-52.3	158.6	0	0	0	110.8	E56 R100 C101 C485 K486	E56-I77 WeakPolarHBondContact CA-O 3.5Å; E56-I77 HydrophobicContact CG-CB 3.91Å; E56-I77 HydrophobicContact CG-CD1 3.92Å; E56-I77 HydrophobicContact CG-CG2 3.83Å; E56-I77 PolarHBondContact N-O 3.31Å; I77-R100 PolarHBondContact N-O 3.22Å; I77-C101 WeakPolarHBondContact CA-O 3.43Å; I77-C101 HydrophobicContact CG1-CB 4.2Å; I77-C485 HydrophobicContact CD1-CB 3.87Å; I77-C485 HydrophobicContact CG1-CB 3.76Å; I77-K486 HydrophobicContact CD1-CB 4.21Å
78	N	93.2	Very high	93.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.198	C	C	.	.			trans	-125.3	-165.7	171.3	-74.4	-65.6	0	0	0	109.7	C54 R57 S58 L59 L75 T76 I80 N102	C54-N78 PolarHBondContact O-ND2 3.31Å; R57-N78 WeakPolarHBondContact CA-OD1 3.04Å; R57-N78 PolarHBondContact N-OD1 3.26Å; S58-N78 PolarHBondContact N-OD1 3.43Å; L59-N78 HydrophobicContact CB-CB 4.08Å; L59-N78 WeakPolarHBondContact CG-OD1 3.49Å; L59-N78 PolarHBondContact N-OD1 2.91Å; L75-N78 PolarHBondContact O-ND2 3.29Å; T76-N78 PolarHBondContact O-ND2 3.4Å; N78-I80 HydrophobicContact CB-CD1 4.49Å; N78-I80 HydrophobicContact CB-CG1 4.33Å; N78-N102 VanDerWaalsContact C-OD1 3.29Å; N78-N102 VanDerWaalsContact CB-OD1 3.22Å; N78-N102 WeakPolarHBondContact CB-OD1 3.25Å; N78-N102 WeakPolarHBondContact O-CA 3.05Å; N78-N102 VanDerWaalsContact O-O 3.13Å
79	H	93.4	Very high	93.2	Very high	74 Å²	74	41.7 Å²	41.7	34%	0.343	22%	0.217	S	C	.	.			trans	-132.3	43.4	-176.7	-57.8	-53.5	0	0	0	111.1	L59 P81 N102 N113	L59-H79 CarbonylContact O-C 3.1Å; L59-H79 WeakPolarHBondContact O-CA 3.31Å; L59-H79 PolarHBondContact O-N 2.89Å; H79-P81 VanDerWaalsContact O-CD 3.28Å; H79-P81 WeakPolarHBondContact O-CD 3.32Å; H79-N102 PolarHBondContact N-OD1 3.12Å; H79-N113 PolarHBondContact CE1-ND2 3.38Å; H79-N113 PolarHBondContact NE2-ND2 2.66Å
80	I	95.2	Very high	93.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.222	C	C	.	.			trans	-81.4	112	-179.3	-56.6	170.1	0	0	0	108.5	L59 V62 L75 N78 L83 M99 N102	L59-I80 HydrophobicContact CB-CG1 4.43Å; L59-I80 PolarHBondContact O-N 3.21Å; V62-I80 HydrophobicContact CG2-CD1 4.26Å; L75-I80 HydrophobicContact CB-CD1 4.26Å; L75-I80 HydrophobicContact CD1-CD1 4.22Å; L75-I80 HydrophobicContact CD2-CD1 4.29Å; N78-I80 HydrophobicContact CB-CD1 4.49Å; N78-I80 HydrophobicContact CB-CG1 4.33Å; I80-L83 HydrophobicContact CG2-CD2 4.14Å; I80-M99 HydrophobicContact CB-CE 3.66Å; I80-M99 HydrophobicContact CD1-CE 4.16Å; I80-M99 HydrophobicContact CG2-CE 3.55Å; I80-N102 WeakPolarHBondContact CB-OD1 3.48Å; I80-N102 WeakPolarHBondContact CG1-OD1 3.3Å; I80-N102 PolarHBondContact N-OD1 3.02Å; I80-N102 VanDerWaalsContact N-OD1 3.14Å
81	P	93.4	Very high	93.1	Very high	65 Å²	65	40.8 Å²	40.8	42%	0.422	22%	0.224	S	C	.	.			trans	-86.8	-28.9	-170.9	33.2	-33.3	0	0	0	113.5	K60 H79 V119 T120	K60-P81 WeakPolarHBondContact O-CD 3.35Å; H79-P81 VanDerWaalsContact O-CD 3.28Å; H79-P81 WeakPolarHBondContact O-CD 3.32Å; P81-V119 CarbonylContact O-C 2.92Å; P81-V119 VanDerWaalsContact O-CA 3.29Å; P81-V119 WeakPolarHBondContact O-CA 3.43Å; P81-T120 PolarHBondContact O-N 3.03Å
82	N	94	Very high	92.9	Very high	90 Å²	90	44.5 Å²	44.5	48%	0.481	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.2	-172.3	-47.5	-42.3	0	0	0	110.4	T120	N82-T120 CarbonylContact C-O 3.48Å; N82-T120 VanDerWaalsContact CA-O 3.3Å; N82-T120 WeakPolarHBondContact CA-O 3.41Å; N82-T120 WeakPolarHBondContact CB-OG1 3.45Å; N82-T120 VanDerWaalsContact CG-OG1 3.23Å; N82-T120 PolarHBondContact OD1-OG1 2.92Å
83	L	94.8	Very high	92.8	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.4	169	-67	-179.1	0	0	0	111	V62 I80 F88 M99 T120 I121 A122 T125 F126	V62-L83 HydrophobicContact CG2-CD2 3.87Å; I80-L83 HydrophobicContact CG2-CD2 4.14Å; L83-F88 HydrophobicContact CD1-CE2 4.11Å; L83-F88 HydrophobicContact CD1-CZ 4.15Å; L83-F88 HydrophobicContact CD2-CE2 4.34Å; L83-F88 HydrophobicContact CD2-CZ 4.22Å; L83-M99 HydrophobicContact CD1-CE 3.67Å; L83-M99 HydrophobicContact CD1-SD 3.36Å; L83-M99 WeakPolarHBondContact CD1-SD 3.02Å; L83-M99 HydrophobicContact CD2-CE 3.76Å; L83-M99 HydrophobicContact CD2-SD 4.49Å; L83-M99 HydrophobicContact CG-CE 3.68Å; L83-M99 HydrophobicContact CG-SD 4.08Å; L83-T120 PolarHBondContact N-O 2.69Å; L83-I121 HydrophobicContact CD1-CG1 4.48Å; L83-A122 PolarHBondContact O-N 2.82Å; L83-T125 HydrophobicContact CB-CG2 3.77Å; L83-T125 HydrophobicContact CD1-CG2 4.34Å; L83-T125 PolarHBondContact O-OG1 2.95Å; L83-F126 HydrophobicContact CD1-CZ 4.09Å
84	N	93.8	Very high	92.8	Very high	69 Å²	69	47.4 Å²	47.4	37%	0.369	26%	0.259	S	S	.	.			trans	-145.4	176.2	178	65.4	17.9	0	0	0	110.8	T86 S87 A122 T125	N84-T86 PolarHBondContact ND2-OG1 3.1Å; N84-T86 PolarHBondContact O-N 3.2Å; N84-T86 WeakPolarHBondContact OD1-CA 3.39Å; N84-T86 PolarHBondContact OD1-N 3Å; N84-T86 PolarHBondContact OD1-OG1 2.92Å; N84-S87 PolarHBondContact N-OG 3.43Å; N84-S87 VanDerWaalsContact N-OG 3.09Å; N84-S87 VanDerWaalsContact O-CB 3.24Å; N84-S87 WeakPolarHBondContact O-CB 3.48Å; N84-S87 PolarHBondContact O-N 3.49Å; N84-S87 PolarHBondContact O-OG 3.5Å; N84-S87 VanDerWaalsContact O-OG 3.09Å; N84-S87 PolarHBondContact OD1-N 3.46Å; N84-S87 PolarHBondContact OD1-OG 3.26Å; N84-A122 HydrophobicContact CB-CB 4.37Å; N84-T125 WeakPolarHBondContact CA-OG1 3.48Å
85	S	88.3	Confident	92.8	Very high	61 Å²	61	48.8 Å²	48.8	43%	0.427	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-19.3	177.7	45.5	0	0	0	0	115.7	D124	S85-D124 WeakPolarHBondContact CB-OD2 3.22Å; S85-D124 PolarHBondContact OG-OD2 3.18Å
86	T	90.7	Very high	92.8	Very high	87 Å²	87	50.6 Å²	50.6	53%	0.534	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.6	175.6	70.4	0	0	0	0	114	N84 F88	N84-T86 PolarHBondContact ND2-OG1 3.1Å; N84-T86 PolarHBondContact O-N 3.2Å; N84-T86 WeakPolarHBondContact OD1-CA 3.39Å; N84-T86 PolarHBondContact OD1-N 3Å; N84-T86 PolarHBondContact OD1-OG1 2.92Å; T86-F88 PolarHBondContact O-N 3.1Å
87	S	92.7	Very high	92.9	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-36.5	-170.7	-61.3	0	0	0	0	113.3	V62 N84	V62-S87 WeakPolarHBondContact CG1-O 3.32Å; N84-S87 PolarHBondContact N-OG 3.43Å; N84-S87 VanDerWaalsContact N-OG 3.09Å; N84-S87 VanDerWaalsContact O-CB 3.24Å; N84-S87 WeakPolarHBondContact O-CB 3.48Å; N84-S87 PolarHBondContact O-N 3.49Å; N84-S87 PolarHBondContact O-OG 3.5Å; N84-S87 VanDerWaalsContact O-OG 3.09Å; N84-S87 PolarHBondContact OD1-N 3.46Å; N84-S87 PolarHBondContact OD1-OG 3.26Å
88	F	93.5	Very high	93.1	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.031	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	19.5	-179.8	-54.4	-71.1	0	0	0	113	V62 L73 L75 L83 T86 G90 L91 L94 I97 T125 F126 L129	V62-F88 HydrophobicContact CG1-CE1 4.42Å; V62-F88 HydrophobicContact CG2-CE1 4.31Å; L73-F88 HydrophobicContact CD2-CD1 4.12Å; L73-F88 HydrophobicContact CD2-CE1 3.95Å; L75-F88 HydrophobicContact CD1-CE1 4.3Å; L83-F88 HydrophobicContact CD1-CE2 4.11Å; L83-F88 HydrophobicContact CD1-CZ 4.15Å; L83-F88 HydrophobicContact CD2-CE2 4.34Å; L83-F88 HydrophobicContact CD2-CZ 4.22Å; T86-F88 PolarHBondContact O-N 3.1Å; F88-G90 PolarHBondContact O-N 3.13Å; F88-L91 HydrophobicContact CD1-CD1 4.39Å; F88-L91 WeakPolarHBondContact O-CB 3.36Å; F88-L91 PolarHBondContact O-N 2.58Å; F88-L91 VanDerWaalsContact O-N 3.13Å; F88-L94 HydrophobicContact CD1-CD1 4.2Å; F88-I97 HydrophobicContact CD1-CD1 4.2Å; F88-I97 HydrophobicContact CE1-CD1 4.01Å; F88-I97 HydrophobicContact CE1-CG2 4.43Å; F88-I97 HydrophobicContact CE2-CD1 4.34Å; F88-I97 HydrophobicContact CG-CD1 4.45Å; F88-I97 HydrophobicContact CZ-CD1 4.08Å; F88-I97 HydrophobicContact CZ-CG2 4.32Å; F88-T125 HydrophobicContact CD2-CG2 4.13Å; F88-T125 HydrophobicContact CE2-CG2 3.87Å; F88-F126 HydrophobicContact CD2-CD1 4.43Å; F88-F126 HydrophobicContact CD2-CE1 4.36Å; F88-F126 HydrophobicContact CE2-CD1 4.09Å; F88-F126 AromaticContact CE2-CE1 3.59Å; F88-F126 HydrophobicContact CE2-CE1 3.59Å; F88-F126 HydrophobicContact CE2-CZ 4.5Å; F88-F126 HydrophobicContact CZ-CE1 4.21Å; F88-L129 HydrophobicContact CB-CD1 4.14Å; F88-L129 HydrophobicContact CB-CD2 4.1Å; F88-L129 HydrophobicContact CD2-CD1 4.17Å; F88-L129 HydrophobicContact CG-CD1 4.19Å
89	R	89.8	Confident	93.2	Very high	209 Å²	209	48.3 Å²	48.3	79%	0.789	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	126	-177.2	-174.2	176.8	-179.4	178.9	1.1	111
90	G	88.2	Confident	93.3	Very high	42 Å²	42	45 Å²	45	43%	0.433	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	9.4	-178.9	0	0	0	0	0	114.7	G68 F88	G68-G90 WeakPolarHBondContact CA-O 3.17Å; F88-G90 PolarHBondContact O-N 3.13Å
91	L	92.3	Very high	93.3	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.047	25%	0.252	C	S	.	.			trans	-111.4	49.5	177.9	-54.6	179.7	0	0	0	111.5	I66 P67 L73 F88 N93 L94	I66-L91 HydrophobicContact CB-CD1 4.32Å; I66-L91 HydrophobicContact CB-CD2 4.04Å; I66-L91 HydrophobicContact CD1-CD1 4.36Å; I66-L91 HydrophobicContact CG2-CD1 4.02Å; I66-L91 HydrophobicContact CG2-CD2 3.61Å; P67-L91 WeakPolarHBondContact O-CD2 3.4Å; L73-L91 HydrophobicContact CD2-CD1 4.25Å; F88-L91 HydrophobicContact CD1-CD1 4.39Å; F88-L91 WeakPolarHBondContact O-CB 3.36Å; F88-L91 PolarHBondContact O-N 2.58Å; F88-L91 VanDerWaalsContact O-N 3.13Å; L91-N93 PolarHBondContact O-N 3.46Å; L91-L94 HydrophobicContact CB-CD1 3.5Å; L91-L94 VanDerWaalsContact CB-CD1 3.5Å; L91-L94 HydrophobicContact CB-CG 3.83Å; L91-L94 HydrophobicContact CD1-CD1 3.94Å; L91-L94 HydrophobicContact CG-CD1 4.37Å; L91-L94 WeakPolarHBondContact O-CG 3.28Å; L91-L94 PolarHBondContact O-N 2.97Å
92	D	89.7	Confident	93.3	Very high	96 Å²	96	42.7 Å²	42.7	51%	0.513	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16	-170.5	-53.4	-43.6	0	0	0	113.7	N131	D92-N131 PolarHBondContact O-ND2 3.24Å
93	N	92.5	Very high	93.3	Very high	86 Å²	86	38.5 Å²	38.5	46%	0.46	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3	179.1	-70.9	-7.5	0	0	0	113.8	T70 L91 T95	T70-N93 CarbonylContact O-C 3.47Å; L91-N93 PolarHBondContact O-N 3.46Å; N93-T95 PolarHBondContact O-N 3.25Å
94	L	95.1	Very high	93.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.215	C	C	.	.			trans	-62.6	122.8	179.6	-75.6	173	0	0	0	111.3	T70 L73 F88 L91 I97 L129 N131 L132	T70-L94 HydrophobicContact CG2-CD2 3.86Å; T70-L94 PolarHBondContact O-N 3.06Å; L73-L94 HydrophobicContact CB-CD2 3.71Å; L73-L94 HydrophobicContact CD2-CD1 4.47Å; F88-L94 HydrophobicContact CD1-CD1 4.2Å; L91-L94 HydrophobicContact CB-CD1 3.5Å; L91-L94 VanDerWaalsContact CB-CD1 3.5Å; L91-L94 HydrophobicContact CB-CG 3.83Å; L91-L94 HydrophobicContact CD1-CD1 3.94Å; L91-L94 HydrophobicContact CG-CD1 4.37Å; L91-L94 WeakPolarHBondContact O-CG 3.28Å; L91-L94 PolarHBondContact O-N 2.97Å; L94-I97 HydrophobicContact CD1-CD1 4.05Å; L94-I97 HydrophobicContact CD1-CG1 4.13Å; L94-L129 HydrophobicContact CD1-CD2 4.41Å; L94-N131 CarbonylContact O-C 3.55Å; L94-N131 VanDerWaalsContact O-C 3.22Å; L94-L132 WeakPolarHBondContact O-CA 3.18Å; L94-L132 PolarHBondContact O-N 3.37Å
95	T	95.6	Very high	93.2	Very high	46 Å²	46	36 Å²	36	28%	0.282	20%	0.199	S	C	.	.			trans	-104.1	-25.3	172.3	56.4	0	0	0	0	112	T71 N93 R133 A134	T71-T95 PolarHBondContact O-N 3.41Å; T71-T95 PolarHBondContact O-OG1 3.1Å; T71-T95 VanDerWaalsContact O-OG1 3.05Å; N93-T95 PolarHBondContact O-N 3.25Å; T95-R133 WeakPolarHBondContact O-CA 3.32Å; T95-R133 PolarHBondContact O-N 3.23Å; T95-A134 PolarHBondContact O-N 3.03Å
96	E	96.3	Very high	93.2	Very high	38 Å²	38	37.2 Å²	37.2	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.4	-179.2	-176.9	-173.6	129.6	0	0	111.4	T71 N72 L73 A134 Y136 K488	T71-E96 PolarHBondContact O-N 3.12Å; T71-E96 VanDerWaalsContact O-N 3.08Å; N72-E96 HydrophobicContact CB-CB 4.32Å; N72-E96 PolarHBondContact ND2-OE2 2.72Å; L73-E96 PolarHBondContact N-O 2.04Å; E96-A134 WeakPolarHBondContact CA-O 3.17Å; E96-A134 HydrophobicContact CB-CB 4.32Å; E96-A134 HydrophobicContact CG-CB 4.01Å; E96-Y136 HydrophobicContact CG-CE2 4.18Å; E96-K488 IonicContact OE1-NZ 2.87Å; E96-K488 PolarHBondContact OE1-NZ 2.77Å
97	I	96.8	Very high	93.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.9	168.9	-64.2	170.7	0	0	0	108.7	L73 F88 L94 M99 F126 L129 L132 A134 L135 Y136	L73-I97 WeakPolarHBondContact O-CA 3.13Å; F88-I97 HydrophobicContact CD1-CD1 4.2Å; F88-I97 HydrophobicContact CE1-CD1 4.01Å; F88-I97 HydrophobicContact CE1-CG2 4.43Å; F88-I97 HydrophobicContact CE2-CD1 4.34Å; F88-I97 HydrophobicContact CG-CD1 4.45Å; F88-I97 HydrophobicContact CZ-CD1 4.08Å; F88-I97 HydrophobicContact CZ-CG2 4.32Å; L94-I97 HydrophobicContact CD1-CD1 4.05Å; L94-I97 HydrophobicContact CD1-CG1 4.13Å; I97-M99 HydrophobicContact CG2-CB 4.47Å; I97-F126 HydrophobicContact CD1-CD1 4.45Å; I97-F126 HydrophobicContact CD1-CE1 4.39Å; I97-L129 HydrophobicContact CD1-CD1 3.56Å; I97-L132 HydrophobicContact CB-CD1 4.28Å; I97-L132 HydrophobicContact CD1-CD1 3.87Å; I97-L132 HydrophobicContact CD1-CD2 4.27Å; I97-L132 HydrophobicContact CG1-CD1 3.76Å; I97-A134 PolarHBondContact N-O 3.28Å; I97-L135 HydrophobicContact CB-CD1 3.93Å; I97-L135 HydrophobicContact CG2-CD1 4.06Å; I97-L135 WeakPolarHBondContact O-CA 3.16Å; I97-Y136 PolarHBondContact O-N 3.37Å
98	D	96.2	Very high	92.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	107.9	170.1	178.4	-11.6	0	0	0	110.1	L73 T74 L75 T76 R100 Y136 K488	L73-D98 PolarHBondContact O-N 3.17Å; T74-D98 CarbonylContact C-O 3.57Å; T74-D98 HydrophobicContact CG2-CB 4.18Å; L75-D98 WeakPolarHBondContact CA-O 3.24Å; L75-D98 PolarHBondContact N-O 3.11Å; T76-D98 PolarHBondContact OG1-OD1 3.07Å; T76-D98 PolarHBondContact OG1-OD2 3.06Å; D98-R100 WeakPolarHBondContact OD1-CB 3.35Å; D98-R100 WeakPolarHBondContact OD1-CG 3.33Å; D98-R100 IonicContact OD1-CZ 3.61Å; D98-R100 PolarHBondContact OD1-N 3.09Å; D98-R100 IonicContact OD1-NE 3.81Å; D98-R100 PolarHBondContact OD1-NE 3.5Å; D98-R100 IonicContact OD1-NH2 3.57Å; D98-R100 IonicContact OD2-CZ 3.28Å; D98-R100 IonicContact OD2-NE 3.73Å; D98-R100 PolarHBondContact OD2-NE 3.23Å; D98-R100 IonicContact OD2-NH2 3.21Å; D98-R100 PolarHBondContact OD2-NH2 3.47Å; D98-Y136 HydrophobicContact CB-CD2 4.19Å; D98-K488 WeakPolarHBondContact OD2-CD 3.48Å; D98-K488 WeakPolarHBondContact OD2-CE 3.06Å; D98-K488 WeakPolarHBondContact OD2-CG 3.09Å; D98-K488 IonicContact OD2-NZ 2.78Å; D98-K488 PolarHBondContact OD2-NZ 2.94Å; D98-K488 VanDerWaalsContact OD2-NZ 3.1Å
99	M	95.4	Very high	92.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.205	C	C	.	.			trans	-117.9	32.7	179.2	-159.1	-158.2	-172	0	0	111.5	L75 I80 L83 I97 N102 V119 Y136 L137 N140	L75-M99 HydrophobicContact CB-CG 4.33Å; I80-M99 HydrophobicContact CB-CE 3.66Å; I80-M99 HydrophobicContact CD1-CE 4.16Å; I80-M99 HydrophobicContact CG2-CE 3.55Å; L83-M99 HydrophobicContact CD1-CE 3.67Å; L83-M99 HydrophobicContact CD1-SD 3.36Å; L83-M99 WeakPolarHBondContact CD1-SD 3.02Å; L83-M99 HydrophobicContact CD2-CE 3.76Å; L83-M99 HydrophobicContact CD2-SD 4.49Å; L83-M99 HydrophobicContact CG-CE 3.68Å; L83-M99 HydrophobicContact CG-SD 4.08Å; I97-M99 HydrophobicContact CG2-CB 4.47Å; M99-N102 WeakPolarHBondContact CG-ND2 3.48Å; M99-N102 PolarHBondContact O-ND2 3.01Å; M99-N102 VanDerWaalsContact O-ND2 3.15Å; M99-V119 HydrophobicContact CE-CG1 4.43Å; M99-Y136 CarbonylContact C-O 3.4Å; M99-Y136 PolarHBondContact N-O 3.11Å; M99-L137 HydrophobicContact CB-CD2 4.09Å; M99-L137 HydrophobicContact SD-CD2 4.19Å; M99-N140 PolarHBondContact O-ND2 3.04Å; M99-N140 PolarHBondContact O-OD1 2.97Å
100	R	95.3	Very high	92.2	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.015	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	147.1	-176.7	-64	174.1	-62.9	144	9.5	112.4	T76 I77 D98 N102 D138 Y487	T76-R100 VanDerWaalsContact CA-O 3.25Å; T76-R100 WeakPolarHBondContact CA-O 3.49Å; T76-R100 HydrophobicContact CG2-CB 3.95Å; T76-R100 WeakPolarHBondContact CG2-O 3.29Å; I77-R100 PolarHBondContact N-O 3.22Å; D98-R100 WeakPolarHBondContact OD1-CB 3.35Å; D98-R100 WeakPolarHBondContact OD1-CG 3.33Å; D98-R100 IonicContact OD1-CZ 3.61Å; D98-R100 PolarHBondContact OD1-N 3.09Å; D98-R100 IonicContact OD1-NE 3.81Å; D98-R100 PolarHBondContact OD1-NE 3.5Å; D98-R100 IonicContact OD1-NH2 3.57Å; D98-R100 IonicContact OD2-CZ 3.28Å; D98-R100 IonicContact OD2-NE 3.73Å; D98-R100 PolarHBondContact OD2-NE 3.23Å; D98-R100 IonicContact OD2-NH2 3.21Å; D98-R100 PolarHBondContact OD2-NH2 3.47Å; R100-N102 VanDerWaalsContact C-N 3.34Å; R100-N102 PolarHBondContact O-N 2.93Å; R100-D138 CarbonylContact C-O 3.44Å; R100-D138 WeakPolarHBondContact CA-O 3.49Å; R100-D138 HydrophobicContact CB-CB 4.29Å; R100-D138 WeakPolarHBondContact CD-OD2 3.37Å; R100-D138 HydrophobicContact CG-CB 3.77Å; R100-D138 WeakPolarHBondContact CG-OD2 3.34Å; R100-Y487 VanDerWaalsContact NH1-C 3.34Å; R100-Y487 PolarHBondContact NH1-O 3.47Å
101	C	94.4	Very high	92.1	Very high	14 Å²	14	36.9 Å²	36.9	10%	0.095	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	39.5	168.2	-55.6	0	0	0	0	114.6	I77 V104 D138 G139 C485	I77-C101 WeakPolarHBondContact CA-O 3.43Å; I77-C101 HydrophobicContact CG1-CB 4.2Å; C101-V104 HydrophobicContact CB-CG1 3.49Å; C101-V104 VanDerWaalsContact CB-CG1 3.49Å; C101-D138 PolarHBondContact N-O 2.82Å; C101-G139 VanDerWaalsContact CA-O 3.27Å; C101-G139 WeakPolarHBondContact CA-O 3.46Å; C101-C485 HydrophobicContact CB-CB 3.56Å; C101-C485 WeakPolarHBondContact CB-SG 3.39Å; C101-C485 VanDerWaalsContact SG-CA 3.5Å; C101-C485 WeakPolarHBondContact SG-CB 3.3Å; C101-C485 CovalentContact SG-SG 2.02Å; C101-C485 PolarHBondContact SG-SG 3.14Å
102	N	94.8	Very high	91.7	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.027	23%	0.23	C	C	.	.	S	Bend	trans	-80.1	-25.5	169.4	-84.4	-96.7	0	0	0	112.1	L75 N78 H79 I80 M99 R100 V119 N140	L75-N102 PolarHBondContact O-ND2 3.49Å; N78-N102 VanDerWaalsContact C-OD1 3.29Å; N78-N102 VanDerWaalsContact CB-OD1 3.22Å; N78-N102 WeakPolarHBondContact CB-OD1 3.25Å; N78-N102 WeakPolarHBondContact O-CA 3.05Å; N78-N102 VanDerWaalsContact O-O 3.13Å; H79-N102 PolarHBondContact N-OD1 3.12Å; I80-N102 WeakPolarHBondContact CB-OD1 3.48Å; I80-N102 WeakPolarHBondContact CG1-OD1 3.3Å; I80-N102 PolarHBondContact N-OD1 3.02Å; I80-N102 VanDerWaalsContact N-OD1 3.14Å; M99-N102 WeakPolarHBondContact CG-ND2 3.48Å; M99-N102 PolarHBondContact O-ND2 3.01Å; M99-N102 VanDerWaalsContact O-ND2 3.15Å; R100-N102 VanDerWaalsContact C-N 3.34Å; R100-N102 PolarHBondContact O-N 2.93Å; N102-V119 HydrophobicContact CB-CG2 4.29Å; N102-N140 WeakPolarHBondContact CB-OD1 3.47Å; N102-N140 PolarHBondContact N-OD1 2.9Å
103	C	94.3	Very high	91.2	Very high	2 Å²	2	43 Å²	43	1%	0.014	23%	0.226	C	C	.	.	S	Bend	trans	-146.5	78.6	175.1	-175	0	0	0	0	110.5	C115 K117 V119 G139 N140 Q141	C103-C115 VanDerWaalsContact CA-SG 3.54Å; C103-C115 HydrophobicContact CB-CB 3.89Å; C103-C115 WeakPolarHBondContact CB-SG 3.29Å; C103-C115 WeakPolarHBondContact SG-CB 3.38Å; C103-C115 CovalentContact SG-SG 2.02Å; C103-C115 PolarHBondContact SG-SG 3.09Å; C103-K117 PolarHBondContact SG-O 3.17Å; C103-V119 HydrophobicContact CB-CG2 3.65Å; C103-G139 CarbonylContact C-O 3.59Å; C103-G139 PolarHBondContact N-O 3.46Å; C103-G139 CarbonylContact O-C 3.45Å; C103-N140 PolarHBondContact N-OD1 3.13Å; C103-N140 CarbonylContact O-C 3.12Å; C103-N140 VanDerWaalsContact O-C 3.29Å; C103-N140 VanDerWaalsContact O-CA 3.32Å; C103-N140 WeakPolarHBondContact O-CA 3.38Å; C103-Q141 WeakPolarHBondContact O-CG 3.31Å; C103-Q141 PolarHBondContact O-N 2.97Å; C103-Q141 PolarHBondContact SG-NE2 3.11Å
104	V	93.2	Very high	90.8	Very high	19 Å²	19	43.2 Å²	43.2	12%	0.115	23%	0.226	C	C	.	.			trans	-72.1	145.6	-178	-73.1	0	0	0	0	112.2	C101 G139 Q141	C101-V104 HydrophobicContact CB-CG1 3.49Å; C101-V104 VanDerWaalsContact CB-CG1 3.49Å; V104-G139 PolarHBondContact N-O 3.24Å; V104-Q141 PolarHBondContact O-NE2 2.94Å
105	P	91.6	Very high	90.4	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.019	24%	0.236	C	C	.	.			trans	-55.6	145.5	174.6	-26.4	34.4	0	0	0	113	K107 I108 G109 Q141 V160	P105-K107 VanDerWaalsContact C-N 3.29Å; P105-K107 PolarHBondContact O-N 2.76Å; P105-K107 VanDerWaalsContact O-N 3.13Å; P105-I108 HydrophobicContact CB-CD1 4.37Å; P105-I108 HydrophobicContact CG-CD1 4.35Å; P105-I108 PolarHBondContact O-N 3.23Å; P105-G109 PolarHBondContact O-N 2.78Å; P105-Q141 HydrophobicContact CB-CG 4.47Å; P105-Q141 HydrophobicContact CG-CG 4.06Å; P105-V160 HydrophobicContact CG-CG1 3.86Å
106	I	88.8	Confident	89.9	Confident	85 Å²	85	48.4 Å²	48.4	44%	0.436	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-39.7	-168.8	-64	168.9	0	0	0	113	I108 K111 M114	I106-I108 VanDerWaalsContact C-N 3.3Å; I106-I108 PolarHBondContact O-N 2.71Å; I106-K111 PolarHBondContact O-NZ 3.02Å; I106-M114 HydrophobicContact CG2-SD 3.93Å
107	K	88.9	Confident	89.6	Confident	119 Å²	119	53.5 Å²	53.5	52%	0.517	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.9	-179.3	-79.5	-175.1	-175.9	-176.1	0	113.8	P105 Y188 R189	P105-K107 VanDerWaalsContact C-N 3.29Å; P105-K107 PolarHBondContact O-N 2.76Å; P105-K107 VanDerWaalsContact O-N 3.13Å; K107-Y188 PolarHBondContact NZ-O 3.4Å; K107-R189 WeakPolarHBondContact CB-O 3.21Å; K107-R189 PolarHBondContact O-NH2 3.18Å
108	I	88	Confident	89.4	Confident	40 Å²	40	55 Å²	55	21%	0.205	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-42.8	-178.5	-63.6	173.2	0	0	0	110.8	P105 I106 V160 Y187 R189 N190	P105-I108 HydrophobicContact CB-CD1 4.37Å; P105-I108 HydrophobicContact CG-CD1 4.35Å; P105-I108 PolarHBondContact O-N 3.23Å; I106-I108 VanDerWaalsContact C-N 3.3Å; I106-I108 PolarHBondContact O-N 2.71Å; I108-V160 HydrophobicContact CD1-CG1 3.35Å; I108-Y187 HydrophobicContact CD1-CE1 4.15Å; I108-Y187 WeakPolarHBondContact CD1-OH 3.35Å; I108-R189 HydrophobicContact CD1-CB 4.28Å; I108-R189 HydrophobicContact CG1-CB 3.81Å; I108-N190 HydrophobicContact CD1-CB 4.03Å
109	G	84.6	Confident	89.4	Confident	15 Å²	15	55.2 Å²	55.2	16%	0.155	29%	0.292	C	S	.	.	S	Bend	trans	-73.7	172	-173.3	0	0	0	0	0	116.8	P105	P105-G109 PolarHBondContact O-N 2.78Å
110	P	84.7	Confident	89.4	Confident	69 Å²	69	57.9 Å²	57.9	45%	0.448	31%	0.309	S	S	.	.			trans	-57.1	143.1	170.9	23.3	-31.1	0	0	0	111.4	D112	P110-D112 WeakPolarHBondContact CB-OD1 3.43Å
111	K	85.9	Confident	89.5	Confident	121 Å²	121	59.5 Å²	59.5	53%	0.526	32%	0.317	S	S	.	.	S	Bend	trans	-86.9	-20.8	-178.1	-60	-60.4	178.7	-179.3	0	113.2	I106 M114	I106-K111 PolarHBondContact O-NZ 3.02Å; K111-M114 HydrophobicContact CB-CE 3.92Å; K111-M114 HydrophobicContact CD-CE 3.67Å; K111-M114 HydrophobicContact CG-CE 4.4Å; K111-M114 VanDerWaalsContact O-CE 3.27Å; K111-M114 WeakPolarHBondContact O-CE 3.45Å
112	D	83	Confident	89.5	Confident	150 Å²	150	60.7 Å²	60.7	80%	0.802	33%	0.328	S	S	*	.	S	Bend	trans	-76.3	-24.3	176.3	53.4	-48.2	0	0	0	113.1	P110	P110-D112 WeakPolarHBondContact CB-OD1 3.43Å
113	N	79.5	Confident	89.3	Confident	83 Å²	83	66.5 Å²	66.5	44%	0.444	36%	0.355	S	S	.	.	S	Bend	trans	-140.1	73.4	177.6	-164	10.1	0	0	0	111.2	H79	H79-N113 PolarHBondContact CE1-ND2 3.38Å; H79-N113 PolarHBondContact NE2-ND2 2.66Å
114	M	85.4	Confident	89.1	Confident	92 Å²	92	69.8 Å²	69.8	45%	0.453	37%	0.373	S	S	.	.			trans	-76.1	130	-177.8	-58.9	-167.4	-159.4	0	0	111.3	I106 K111	I106-M114 HydrophobicContact CG2-SD 3.93Å; K111-M114 HydrophobicContact CB-CE 3.92Å; K111-M114 HydrophobicContact CD-CE 3.67Å; K111-M114 HydrophobicContact CG-CE 4.4Å; K111-M114 VanDerWaalsContact O-CE 3.27Å; K111-M114 WeakPolarHBondContact O-CE 3.45Å
115	C	86.4	Confident	89.1	Confident	33 Å²	33	69.1 Å²	69.1	22%	0.223	37%	0.368	C	S	.	.			trans	-86.3	119.2	170.6	-169.3	0	0	0	0	110.5	C103 K117 Q141	C103-C115 VanDerWaalsContact CA-SG 3.54Å; C103-C115 HydrophobicContact CB-CB 3.89Å; C103-C115 WeakPolarHBondContact CB-SG 3.29Å; C103-C115 WeakPolarHBondContact SG-CB 3.38Å; C103-C115 CovalentContact SG-SG 2.02Å; C103-C115 PolarHBondContact SG-SG 3.09Å; C115-K117 PolarHBondContact SG-O 3.17Å; C115-Q141 PolarHBondContact O-NE2 2.74Å
116	T	84.9	Confident	89.2	Confident	123 Å²	123	69 Å²	69	76%	0.755	37%	0.367	S	S	*	.			trans	-102.1	-12.5	-176	53.9	0	0	0	0	114.3
117	K	89.3	Confident	89.2	Confident	144 Å²	144	68.5 Å²	68.5	63%	0.626	37%	0.368	S	S	*	.	S	Bend	trans	-129.6	130.7	-177.1	-173.4	-179.6	-179.8	-178	0	109.8	C103 C115	C103-K117 PolarHBondContact SG-O 3.17Å; C115-K117 PolarHBondContact SG-O 3.17Å
118	S	93.4	Very high	89.2	Confident	33 Å²	33	65.9 Å²	65.9	23%	0.231	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-57.7	152.6	178.6	63.6	0	0	0	0	112.7	T120 Q141	S118-T120 PolarHBondContact O-N 2.97Å; S118-Q141 WeakPolarHBondContact CB-O 3.3Å
119	V	95.9	Very high	89.4	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.03	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-67.8	127.6	172	179.1	0	0	0	0	108.6	P81 M99 N102 C103 I121 N140 L142	P81-V119 CarbonylContact O-C 2.92Å; P81-V119 VanDerWaalsContact O-CA 3.29Å; P81-V119 WeakPolarHBondContact O-CA 3.43Å; M99-V119 HydrophobicContact CE-CG1 4.43Å; N102-V119 HydrophobicContact CB-CG2 4.29Å; C103-V119 HydrophobicContact CB-CG2 3.65Å; V119-I121 HydrophobicContact CG1-CG1 4.29Å; V119-N140 HydrophobicContact CB-CB 4.2Å; V119-N140 HydrophobicContact CG2-CB 3.94Å; V119-N140 PolarHBondContact N-O 2.77Å; V119-L142 HydrophobicContact CB-CD2 4.47Å; V119-L142 WeakPolarHBondContact O-CD2 3.42Å
120	T	95.4	Very high	89.7	Confident	57 Å²	57	72.7 Å²	72.7	35%	0.35	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.9	175.4	66.1	0	0	0	0	110.6	P81 N82 L83 S118	P81-T120 PolarHBondContact O-N 3.03Å; N82-T120 CarbonylContact C-O 3.48Å; N82-T120 VanDerWaalsContact CA-O 3.3Å; N82-T120 WeakPolarHBondContact CA-O 3.41Å; N82-T120 WeakPolarHBondContact CB-OG1 3.45Å; N82-T120 VanDerWaalsContact CG-OG1 3.23Å; N82-T120 PolarHBondContact OD1-OG1 2.92Å; L83-T120 PolarHBondContact N-O 2.69Å; S118-T120 PolarHBondContact O-N 2.97Å
121	I	96	Very high	90.1	Very high	38 Å²	38	73.1 Å²	73.1	20%	0.195	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.5	179.6	-58.4	178.2	0	0	0	107.4	L83 V119 T125 F126 L137 L142 P146	L83-I121 HydrophobicContact CD1-CG1 4.48Å; V119-I121 HydrophobicContact CG1-CG1 4.29Å; I121-T125 HydrophobicContact CG2-CG2 4.37Å; I121-F126 HydrophobicContact CD1-CE2 4.46Å; I121-F126 HydrophobicContact CG2-CD2 4.38Å; I121-F126 HydrophobicContact CG2-CE2 3.66Å; I121-F126 HydrophobicContact CG2-CZ 4.33Å; I121-L137 HydrophobicContact CD1-CD1 4.07Å; I121-L137 HydrophobicContact CD1-CD2 4.18Å; I121-L142 HydrophobicContact CD1-CD1 4.27Å; I121-L142 HydrophobicContact CD1-CD2 4Å; I121-L142 HydrophobicContact CG1-CD2 4.43Å; I121-P146 HydrophobicContact CD1-CG 4Å; I121-P146 HydrophobicContact CG2-CB 4.36Å
122	A	94.9	Very high	90.6	Very high	38 Å²	38	67.4 Å²	67.4	31%	0.314	36%	0.362	S	S	.	.			trans	-71	147	174.2	0	0	0	0	0	110.9	L83 N84 D124 T125	L83-A122 PolarHBondContact O-N 2.82Å; N84-A122 HydrophobicContact CB-CB 4.37Å; A122-D124 WeakPolarHBondContact CB-OD1 3.33Å; A122-D124 PolarHBondContact O-N 3.41Å; A122-T125 PolarHBondContact N-OG1 3.42Å; A122-T125 WeakPolarHBondContact O-CB 3.35Å; A122-T125 PolarHBondContact O-N 3.27Å; A122-T125 PolarHBondContact O-OG1 3.08Å
123	E	90.4	Very high	91.2	Very high	127 Å²	127	67.9 Å²	67.9	59%	0.593	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.9	-175.5	-57.9	-174.1	160.2	0	0	113	T125 K147 G148	E123-T125 VanDerWaalsContact C-N 3.3Å; E123-T125 PolarHBondContact O-N 3.1Å; E123-K147 HydrophobicContact CB-CB 4.46Å; E123-K147 HydrophobicContact CG-CB 4.21Å; E123-G148 WeakPolarHBondContact O-CA 3.48Å
124	D	90.3	Very high	92	Very high	72 Å²	72	64.6 Å²	64.6	39%	0.385	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	0.9	-178.6	68.3	-22.3	0	0	0	114.1	S85 A122 F126 T127	S85-D124 WeakPolarHBondContact CB-OD2 3.22Å; S85-D124 PolarHBondContact OG-OD2 3.18Å; A122-D124 WeakPolarHBondContact CB-OD1 3.33Å; A122-D124 PolarHBondContact O-N 3.41Å; D124-F126 PolarHBondContact O-N 3.29Å; D124-T127 PolarHBondContact O-OG1 3.03Å
125	T	93.5	Very high	92.5	Very high	4 Å²	4	60.2 Å²	60.2	3%	0.025	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-45.8	-170.7	-62.4	0	0	0	0	113.6	L83 N84 F88 I121 A122 E123	L83-T125 HydrophobicContact CB-CG2 3.77Å; L83-T125 HydrophobicContact CD1-CG2 4.34Å; L83-T125 PolarHBondContact O-OG1 2.95Å; N84-T125 WeakPolarHBondContact CA-OG1 3.48Å; F88-T125 HydrophobicContact CD2-CG2 4.13Å; F88-T125 HydrophobicContact CE2-CG2 3.87Å; I121-T125 HydrophobicContact CG2-CG2 4.37Å; A122-T125 PolarHBondContact N-OG1 3.42Å; A122-T125 WeakPolarHBondContact O-CB 3.35Å; A122-T125 PolarHBondContact O-N 3.27Å; A122-T125 PolarHBondContact O-OG1 3.08Å; E123-T125 VanDerWaalsContact C-N 3.3Å; E123-T125 PolarHBondContact O-N 3.1Å
126	F	93.6	Very high	93.1	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-7.5	-172.8	-56	-67.2	0	0	0	113.5	L83 F88 I97 I121 D124 A128 L129 L135 L149	L83-F126 HydrophobicContact CD1-CZ 4.09Å; F88-F126 HydrophobicContact CD2-CD1 4.43Å; F88-F126 HydrophobicContact CD2-CE1 4.36Å; F88-F126 HydrophobicContact CE2-CD1 4.09Å; F88-F126 AromaticContact CE2-CE1 3.59Å; F88-F126 HydrophobicContact CE2-CE1 3.59Å; F88-F126 HydrophobicContact CE2-CZ 4.5Å; F88-F126 HydrophobicContact CZ-CE1 4.21Å; I97-F126 HydrophobicContact CD1-CD1 4.45Å; I97-F126 HydrophobicContact CD1-CE1 4.39Å; I121-F126 HydrophobicContact CD1-CE2 4.46Å; I121-F126 HydrophobicContact CG2-CD2 4.38Å; I121-F126 HydrophobicContact CG2-CE2 3.66Å; I121-F126 HydrophobicContact CG2-CZ 4.33Å; D124-F126 PolarHBondContact O-N 3.29Å; F126-A128 VanDerWaalsContact C-N 3.26Å; F126-A128 PolarHBondContact O-N 2.02Å; F126-L129 HydrophobicContact CD1-CD1 4.18Å; F126-L129 WeakPolarHBondContact O-CB 3Å; F126-L129 PolarHBondContact O-N 3Å; F126-L135 HydrophobicContact CD2-CD2 4.37Å; F126-L135 HydrophobicContact CE1-CD1 4.07Å; F126-L135 HydrophobicContact CE1-CD2 4.49Å; F126-L135 HydrophobicContact CE2-CD2 4.18Å; F126-L135 HydrophobicContact CZ-CD1 4.21Å; F126-L135 HydrophobicContact CZ-CD2 4.26Å; F126-L149 HydrophobicContact CD2-CD2 3.83Å; F126-L149 HydrophobicContact CE2-CD2 4.44Å; F126-L149 HydrophobicContact CG-CD2 4.44Å
127	T	89.6	Confident	93.6	Very high	75 Å²	75	54.1 Å²	54.1	46%	0.46	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.5	-172.9	60	0	0	0	0	113.6	D124 L129 G148	D124-T127 PolarHBondContact O-OG1 3.03Å; T127-L129 VanDerWaalsContact C-N 3.31Å; T127-L129 PolarHBondContact O-N 3.04Å; T127-G148 WeakPolarHBondContact CG2-O 3.03Å; T127-G148 PolarHBondContact N-O 3.03Å
128	A	88.7	Confident	93.9	Very high	65 Å²	65	47.6 Å²	47.6	54%	0.537	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.1	178.8	0	0	0	0	0	113.7	F126 R130	F126-A128 VanDerWaalsContact C-N 3.26Å; F126-A128 PolarHBondContact O-N 2.02Å; A128-R130 PolarHBondContact O-N 2.98Å
129	L	92.7	Very high	94	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.235	C	C	.	.			trans	-87.4	69.9	-171.4	-57.3	178.2	0	0	0	112	F88 L94 I97 F126 T127 N131 L132	F88-L129 HydrophobicContact CB-CD1 4.14Å; F88-L129 HydrophobicContact CB-CD2 4.1Å; F88-L129 HydrophobicContact CD2-CD1 4.17Å; F88-L129 HydrophobicContact CG-CD1 4.19Å; L94-L129 HydrophobicContact CD1-CD2 4.41Å; I97-L129 HydrophobicContact CD1-CD1 3.56Å; F126-L129 HydrophobicContact CD1-CD1 4.18Å; F126-L129 WeakPolarHBondContact O-CB 3Å; F126-L129 PolarHBondContact O-N 3Å; T127-L129 VanDerWaalsContact C-N 3.31Å; T127-L129 PolarHBondContact O-N 3.04Å; L129-N131 PolarHBondContact O-N 3.08Å; L129-N131 VanDerWaalsContact O-N 3.13Å; L129-L132 HydrophobicContact CB-CB 4.05Å; L129-L132 HydrophobicContact CD1-CD2 4.36Å; L129-L132 VanDerWaalsContact O-CB 3.31Å; L129-L132 WeakPolarHBondContact O-CB 3.36Å; L129-L132 PolarHBondContact O-N 3.34Å; L129-L132 VanDerWaalsContact O-N 3.12Å
130	R	90.4	Very high	94.1	Very high	195 Å²	195	45.8 Å²	45.8	74%	0.736	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.1	-174.2	-60.6	-177.6	-177.6	-172.3	-0.2	114.5	A128 N152	A128-R130 PolarHBondContact O-N 2.98Å; R130-N152 PolarHBondContact O-ND2 3.37Å
131	N	93.2	Very high	94	Very high	78 Å²	78	43.9 Å²	43.9	42%	0.417	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.3	-179.4	-67.9	-37.7	0	0	0	113.7	D92 L94 L129 R133	D92-N131 PolarHBondContact O-ND2 3.24Å; L94-N131 CarbonylContact O-C 3.55Å; L94-N131 VanDerWaalsContact O-C 3.22Å; L129-N131 PolarHBondContact O-N 3.08Å; L129-N131 VanDerWaalsContact O-N 3.13Å; N131-R133 PolarHBondContact O-N 2.97Å
132	L	95.3	Very high	94.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.			trans	-67.7	123.1	-174.7	-170.7	69	0	0	0	110.7	L94 I97 L129 L135 P150 N152 L153	L94-L132 WeakPolarHBondContact O-CA 3.18Å; L94-L132 PolarHBondContact O-N 3.37Å; I97-L132 HydrophobicContact CB-CD1 4.28Å; I97-L132 HydrophobicContact CD1-CD1 3.87Å; I97-L132 HydrophobicContact CD1-CD2 4.27Å; I97-L132 HydrophobicContact CG1-CD1 3.76Å; L129-L132 HydrophobicContact CB-CB 4.05Å; L129-L132 HydrophobicContact CD1-CD2 4.36Å; L129-L132 VanDerWaalsContact O-CB 3.31Å; L129-L132 WeakPolarHBondContact O-CB 3.36Å; L129-L132 PolarHBondContact O-N 3.34Å; L129-L132 VanDerWaalsContact O-N 3.12Å; L132-L135 HydrophobicContact CD2-CB 4.46Å; L132-P150 HydrophobicContact CB-CG 3.93Å; L132-P150 HydrophobicContact CD2-CG 4.02Å; L132-P150 HydrophobicContact CG-CG 4.46Å; L132-N152 CarbonylContact O-C 3.56Å; L132-L153 HydrophobicContact CD2-CD1 4.31Å; L132-L153 HydrophobicContact CG-CD1 4.18Å
133	R	95.8	Very high	94	Very high	161 Å²	161	45.6 Å²	45.6	61%	0.608	22%	0.224	S	C	*	.			trans	-112.4	-31	-179.8	-67	-172.8	176.6	-146.5	-2	113	T95 N131 V154 L155	T95-R133 WeakPolarHBondContact O-CA 3.32Å; T95-R133 PolarHBondContact O-N 3.23Å; N131-R133 PolarHBondContact O-N 2.97Å; R133-V154 HydrophobicContact CB-CG2 4.32Å; R133-V154 HydrophobicContact CG-CG2 4.47Å; R133-V154 WeakPolarHBondContact O-CA 3.44Å; R133-V154 PolarHBondContact O-N 3.11Å; R133-L155 PolarHBondContact O-N 2.71Å
134	A	96.5	Very high	94.2	Very high	13 Å²	13	43 Å²	43	11%	0.107	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.5	-177.9	0	0	0	0	0	111.5	T95 E96 I97 Y136 L155	T95-A134 PolarHBondContact O-N 3.03Å; E96-A134 WeakPolarHBondContact CA-O 3.17Å; E96-A134 HydrophobicContact CB-CB 4.32Å; E96-A134 HydrophobicContact CG-CB 4.01Å; I97-A134 PolarHBondContact N-O 3.28Å; A134-Y136 HydrophobicContact CB-CE2 4.13Å; A134-L155 WeakPolarHBondContact CA-O 3.46Å; A134-L155 HydrophobicContact CB-CB 4.11Å; A134-L155 HydrophobicContact CB-CD2 4.42Å
135	L	97.1	Very high	94.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.7	-180	-179.3	59.8	0	0	0	110.5	I97 F126 L132 L137 L149 L153 L155 L156 S157	I97-L135 HydrophobicContact CB-CD1 3.93Å; I97-L135 HydrophobicContact CG2-CD1 4.06Å; I97-L135 WeakPolarHBondContact O-CA 3.16Å; F126-L135 HydrophobicContact CD2-CD2 4.37Å; F126-L135 HydrophobicContact CE1-CD1 4.07Å; F126-L135 HydrophobicContact CE1-CD2 4.49Å; F126-L135 HydrophobicContact CE2-CD2 4.18Å; F126-L135 HydrophobicContact CZ-CD1 4.21Å; F126-L135 HydrophobicContact CZ-CD2 4.26Å; L132-L135 HydrophobicContact CD2-CB 4.46Å; L135-L137 HydrophobicContact CD1-CD1 4.44Å; L135-L137 HydrophobicContact CD1-CD2 4.26Å; L135-L137 HydrophobicContact CD1-CG 4.09Å; L135-L137 HydrophobicContact CD2-CD1 3.89Å; L135-L137 HydrophobicContact CD2-CG 4.36Å; L135-L137 HydrophobicContact CG-CD1 4.06Å; L135-L137 HydrophobicContact CG-CG 3.97Å; L135-L149 HydrophobicContact CD2-CD2 3.65Å; L135-L153 HydrophobicContact CB-CD1 3.83Å; L135-L153 HydrophobicContact CB-CD2 4.48Å; L135-L155 PolarHBondContact N-O 3.14Å; L135-L156 HydrophobicContact CB-CD1 4.28Å; L135-L156 HydrophobicContact CD2-CD1 4.15Å; L135-L156 HydrophobicContact CG-CD1 4.27Å; L135-S157 PolarHBondContact O-N 2.88Å
136	Y	97.2	Very high	94.4	Very high	28 Å²	28	40.3 Å²	40.3	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.8	175.9	-54.5	-99.4	0	0	0	110.8	E96 I97 D98 M99 A134 L155	E96-Y136 HydrophobicContact CG-CE2 4.18Å; I97-Y136 PolarHBondContact O-N 3.37Å; D98-Y136 HydrophobicContact CB-CD2 4.19Å; M99-Y136 CarbonylContact C-O 3.4Å; M99-Y136 PolarHBondContact N-O 3.11Å; A134-Y136 HydrophobicContact CB-CE2 4.13Å; Y136-L155 HydrophobicContact CD1-CD2 4.09Å; Y136-L155 HydrophobicContact CD2-CD2 4.48Å; Y136-L155 HydrophobicContact CE1-CD1 4.46Å; Y136-L155 HydrophobicContact CE1-CD2 3.56Å; Y136-L155 HydrophobicContact CE2-CD2 4.01Å; Y136-L155 WeakPolarHBondContact OH-CD1 3.27Å
137	L	97	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.			trans	-124.5	26	-178.9	-68	175.1	0	0	0	111.6	M99 I121 L135 N140 L142 P146 S157 L158 N161	M99-L137 HydrophobicContact CB-CD2 4.09Å; M99-L137 HydrophobicContact SD-CD2 4.19Å; I121-L137 HydrophobicContact CD1-CD1 4.07Å; I121-L137 HydrophobicContact CD1-CD2 4.18Å; L135-L137 HydrophobicContact CD1-CD1 4.44Å; L135-L137 HydrophobicContact CD1-CD2 4.26Å; L135-L137 HydrophobicContact CD1-CG 4.09Å; L135-L137 HydrophobicContact CD2-CD1 3.89Å; L135-L137 HydrophobicContact CD2-CG 4.36Å; L135-L137 HydrophobicContact CG-CD1 4.06Å; L135-L137 HydrophobicContact CG-CG 3.97Å; L137-N140 VanDerWaalsContact C-ND2 3.28Å; L137-N140 PolarHBondContact O-ND2 2.99Å; L137-L142 HydrophobicContact CB-CD1 4.03Å; L137-L142 HydrophobicContact CD1-CD1 4.28Å; L137-P146 HydrophobicContact CD1-CG 3.76Å; L137-S157 PolarHBondContact N-O 2.84Å; L137-L158 HydrophobicContact CB-CD2 3.8Å; L137-L158 HydrophobicContact CD1-CD2 4.17Å; L137-N161 PolarHBondContact O-ND2 3.3Å
138	D	95.8	Very high	94.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.043	21%	0.213	C	C	.	.			trans	-62.8	143.4	-179.3	-45.4	-44.7	0	0	0	111.4	R100 C101 S157 L158 E159 R483	R100-D138 CarbonylContact C-O 3.44Å; R100-D138 WeakPolarHBondContact CA-O 3.49Å; R100-D138 HydrophobicContact CB-CB 4.29Å; R100-D138 WeakPolarHBondContact CD-OD2 3.37Å; R100-D138 HydrophobicContact CG-CB 3.77Å; R100-D138 WeakPolarHBondContact CG-OD2 3.34Å; C101-D138 PolarHBondContact N-O 2.82Å; D138-S157 VanDerWaalsContact CG-OG 3.25Å; D138-S157 VanDerWaalsContact OD1-CB 3.29Å; D138-S157 WeakPolarHBondContact OD1-CB 3.39Å; D138-S157 PolarHBondContact OD1-OG 2.69Å; D138-S157 PolarHBondContact OD2-OG 3.47Å; D138-L158 PolarHBondContact OD1-N 3.39Å; D138-E159 CarbonylContact C-O 3.44Å; D138-E159 WeakPolarHBondContact CA-O 3.21Å; D138-E159 HydrophobicContact CB-CB 4.16Å; D138-E159 WeakPolarHBondContact CB-O 3.22Å; D138-E159 PolarHBondContact OD1-N 3.14Å; D138-R483 IonicContact OD1-NH1 2.8Å; D138-R483 IonicContact OD2-CZ 2.85Å; D138-R483 IonicContact OD2-NH1 3.89Å; D138-R483 PolarHBondContact OD2-NH1 3.11Å
139	G	95.3	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	68.9	42	169.8	0	0	0	0	0	114.3	C101 C103 V104 E159 V160	C101-G139 VanDerWaalsContact CA-O 3.27Å; C101-G139 WeakPolarHBondContact CA-O 3.46Å; C103-G139 CarbonylContact C-O 3.59Å; C103-G139 PolarHBondContact N-O 3.46Å; C103-G139 CarbonylContact O-C 3.45Å; V104-G139 PolarHBondContact N-O 3.24Å; G139-E159 PolarHBondContact N-O 2.87Å; G139-V160 WeakPolarHBondContact CA-O 3.49Å; G139-V160 PolarHBondContact N-O 3.2Å
140	N	96.6	Very high	94.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-120.8	7.1	-178.9	-71.4	-42	0	0	0	113.8	M99 N102 C103 V119 L137 L142 N161	M99-N140 PolarHBondContact O-ND2 3.04Å; M99-N140 PolarHBondContact O-OD1 2.97Å; N102-N140 WeakPolarHBondContact CB-OD1 3.47Å; N102-N140 PolarHBondContact N-OD1 2.9Å; C103-N140 PolarHBondContact N-OD1 3.13Å; C103-N140 CarbonylContact O-C 3.12Å; C103-N140 VanDerWaalsContact O-C 3.29Å; C103-N140 VanDerWaalsContact O-CA 3.32Å; C103-N140 WeakPolarHBondContact O-CA 3.38Å; V119-N140 HydrophobicContact CB-CB 4.2Å; V119-N140 HydrophobicContact CG2-CB 3.94Å; V119-N140 PolarHBondContact N-O 2.77Å; L137-N140 VanDerWaalsContact C-ND2 3.28Å; L137-N140 PolarHBondContact O-ND2 2.99Å; N140-L142 HydrophobicContact CB-CD1 4.41Å; N140-L142 HydrophobicContact CB-CD2 4.38Å; N140-L142 HydrophobicContact CB-CG 3.97Å; N140-L142 PolarHBondContact O-N 3.23Å; N140-N161 WeakPolarHBondContact CA-OD1 3.5Å; N140-N161 PolarHBondContact N-OD1 2.78Å
141	Q	95.1	Very high	94.6	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.075	18%	0.183	C	C	.	.			trans	54.8	32.4	-176.6	-68	-179.9	51.9	0	0	113	C103 V104 P105 C115 S118 N161 H162	C103-Q141 WeakPolarHBondContact O-CG 3.31Å; C103-Q141 PolarHBondContact O-N 2.97Å; C103-Q141 PolarHBondContact SG-NE2 3.11Å; V104-Q141 PolarHBondContact O-NE2 2.94Å; P105-Q141 HydrophobicContact CB-CG 4.47Å; P105-Q141 HydrophobicContact CG-CG 4.06Å; C115-Q141 PolarHBondContact O-NE2 2.74Å; S118-Q141 WeakPolarHBondContact CB-O 3.3Å; Q141-N161 PolarHBondContact N-OD1 3.18Å; Q141-N161 VanDerWaalsContact N-OD1 3.08Å; Q141-H162 VanDerWaalsContact CG-CE1 3.48Å; Q141-H162 WeakPolarHBondContact CG-CE1 3.15Å
142	L	96.4	Very high	94.5	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.058	19%	0.185	C	C	.	.			trans	-68.2	136	178.3	-59.8	174.8	0	0	0	111	V119 I121 L137 N140 P146 L158 N161 H162 I163	V119-L142 HydrophobicContact CB-CD2 4.47Å; V119-L142 WeakPolarHBondContact O-CD2 3.42Å; I121-L142 HydrophobicContact CD1-CD1 4.27Å; I121-L142 HydrophobicContact CD1-CD2 4Å; I121-L142 HydrophobicContact CG1-CD2 4.43Å; L137-L142 HydrophobicContact CB-CD1 4.03Å; L137-L142 HydrophobicContact CD1-CD1 4.28Å; N140-L142 HydrophobicContact CB-CD1 4.41Å; N140-L142 HydrophobicContact CB-CD2 4.38Å; N140-L142 HydrophobicContact CB-CG 3.97Å; N140-L142 PolarHBondContact O-N 3.23Å; L142-P146 HydrophobicContact CD1-CG 4.3Å; L142-L158 HydrophobicContact CD1-CD2 3.95Å; L142-N161 HydrophobicContact CB-CB 4.13Å; L142-N161 PolarHBondContact N-OD1 3.39Å; L142-N161 WeakPolarHBondContact O-CB 3.48Å; L142-H162 CarbonylContact O-C 3.4Å; L142-H162 WeakPolarHBondContact O-CA 3.5Å; L142-H162 PolarHBondContact O-N 3.25Å; L142-I163 WeakPolarHBondContact O-CG1 3.35Å
143	D	93.4	Very high	94.4	Very high	102 Å²	102	34.8 Å²	34.8	55%	0.545	19%	0.185	S	C	.	.	S	Bend	trans	-91.6	-18.3	-179.8	-55.9	-54.2	0	0	0	112.9	H162	D143-H162 IonicContact OD1-ND1 3.84Å
144	S	94.1	Very high	94.5	Very high	71 Å²	71	29.1 Å²	29.1	50%	0.497	17%	0.168	S	C	.	.	S	Bend	trans	-144.2	164	178.3	69.7	0	0	0	0	112
145	I	95.3	Very high	94.5	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-64	129.6	168.9	-57.4	-177.4	0	0	0	108.2	L149 L156 L158 I163 I166 N170 L171	I145-L149 HydrophobicContact CG2-CD1 4.32Å; I145-L156 HydrophobicContact CG2-CD2 4.38Å; I145-L158 HydrophobicContact CB-CD1 4.41Å; I145-L158 HydrophobicContact CD1-CD1 4.48Å; I145-L158 HydrophobicContact CG1-CD1 3.91Å; I145-L158 HydrophobicContact CG2-CD1 4.18Å; I145-I163 HydrophobicContact CG1-CD1 4.29Å; I145-I163 HydrophobicContact CG1-CG2 4.42Å; I145-I166 HydrophobicContact CD1-CD1 4.17Å; I145-N170 HydrophobicContact CD1-CB 4.14Å; I145-L171 HydrophobicContact CD1-CD2 3.61Å
146	P	94.5	Very high	94.5	Very high	14 Å²	14	29.7 Å²	29.7	9%	0.091	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-62	141.6	177.6	-22.6	33.3	0	0	0	112.2	I121 L137 L142 L149	I121-P146 HydrophobicContact CD1-CG 4Å; I121-P146 HydrophobicContact CG2-CB 4.36Å; L137-P146 HydrophobicContact CD1-CG 3.76Å; L142-P146 HydrophobicContact CD1-CG 4.3Å; P146-L149 WeakPolarHBondContact O-CD1 3.2Å; P146-L149 WeakPolarHBondContact O-CG 3.06Å
147	K	92.4	Very high	94.5	Very high	99 Å²	99	28.4 Å²	28.4	43%	0.43	16%	0.164	S	C	.	.	S	Bend	trans	-88.4	164.6	173.4	-61.6	-174.1	177.6	-172.6	0	111.7	E123	E123-K147 HydrophobicContact CB-CB 4.46Å; E123-K147 HydrophobicContact CG-CB 4.21Å
148	G	91.4	Very high	94.5	Very high	16 Å²	16	28.4 Å²	28.4	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	72.3	33.1	-179.3	0	0	0	0	0	113.3	E123 T127 E173	E123-G148 WeakPolarHBondContact O-CA 3.48Å; T127-G148 WeakPolarHBondContact CG2-O 3.03Å; T127-G148 PolarHBondContact N-O 3.03Å; G148-E173 WeakPolarHBondContact CA-OE2 3.47Å; G148-E173 PolarHBondContact N-OE2 3.25Å
149	L	93.7	Very high	94.5	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	16%	0.163	C	C	.	.			trans	-77.2	140.5	177	-65.8	177.2	0	0	0	110.7	F126 L135 I145 P146 L153 L156 E173 I174	F126-L149 HydrophobicContact CD2-CD2 3.83Å; F126-L149 HydrophobicContact CE2-CD2 4.44Å; F126-L149 HydrophobicContact CG-CD2 4.44Å; L135-L149 HydrophobicContact CD2-CD2 3.65Å; I145-L149 HydrophobicContact CG2-CD1 4.32Å; P146-L149 WeakPolarHBondContact O-CD1 3.2Å; P146-L149 WeakPolarHBondContact O-CG 3.06Å; L149-L153 HydrophobicContact CD1-CD2 4.43Å; L149-L156 HydrophobicContact CD1-CD2 4.04Å; L149-E173 PolarHBondContact N-OE2 3.23Å; L149-E173 VanDerWaalsContact N-OE2 3.09Å; L149-I174 HydrophobicContact CB-CG2 3.94Å; L149-I174 HydrophobicContact CD1-CG2 3.63Å; L149-I174 HydrophobicContact CG-CG2 4.44Å
150	P	91.2	Very high	94.4	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.078	17%	0.168	C	C	.	.			trans	-70.2	139.2	-178.7	26.4	-31.6	0	0	0	111.3	L132 N152 L153	L132-P150 HydrophobicContact CB-CG 3.93Å; L132-P150 HydrophobicContact CD2-CG 4.02Å; L132-P150 HydrophobicContact CG-CG 4.46Å; P150-N152 PolarHBondContact O-N 2.87Å; P150-L153 VanDerWaalsContact O-CB 3.3Å; P150-L153 WeakPolarHBondContact O-CB 3.41Å; P150-L153 PolarHBondContact O-N 3.15Å; P150-L153 VanDerWaalsContact O-N 3.12Å
151	S	89.1	Confident	94.4	Very high	75 Å²	75	28.9 Å²	28.9	52%	0.524	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.5	-177.8	62.4	0	0	0	0	114.6	L153 N176	S151-L153 VanDerWaalsContact C-N 3.28Å; S151-N176 WeakPolarHBondContact O-CB 3.19Å; S151-N176 PolarHBondContact O-ND2 3.44Å
152	N	90.9	Very high	94.4	Very high	85 Å²	85	30.1 Å²	30.1	46%	0.455	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.6	178.7	-69.9	-22.8	0	0	0	113.3	R130 L132 P150 V154	R130-N152 PolarHBondContact O-ND2 3.37Å; L132-N152 CarbonylContact O-C 3.56Å; P150-N152 PolarHBondContact O-N 2.87Å; N152-V154 PolarHBondContact O-N 3.24Å
153	L	94.8	Very high	94.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.171	C	C	.	.			trans	-65	126.7	-179.5	-162.4	70.7	0	0	0	110.6	L132 L135 L149 P150 S151 L156 I174 N176 V177	L132-L153 HydrophobicContact CD2-CD1 4.31Å; L132-L153 HydrophobicContact CG-CD1 4.18Å; L135-L153 HydrophobicContact CB-CD1 3.83Å; L135-L153 HydrophobicContact CB-CD2 4.48Å; L149-L153 HydrophobicContact CD1-CD2 4.43Å; P150-L153 VanDerWaalsContact O-CB 3.3Å; P150-L153 WeakPolarHBondContact O-CB 3.41Å; P150-L153 PolarHBondContact O-N 3.15Å; P150-L153 VanDerWaalsContact O-N 3.12Å; S151-L153 VanDerWaalsContact C-N 3.28Å; L153-L156 HydrophobicContact CD2-CB 3.98Å; L153-L156 HydrophobicContact CD2-CD1 4.23Å; L153-L156 HydrophobicContact CD2-CG 4.48Å; L153-I174 HydrophobicContact CD2-CG2 4.39Å; L153-N176 CarbonylContact O-C 3.58Å; L153-V177 HydrophobicContact CB-CG2 4.23Å; L153-V177 HydrophobicContact CD2-CG2 4.3Å; L153-V177 HydrophobicContact CG-CG2 4.28Å; L153-V177 WeakPolarHBondContact O-CA 3.28Å; L153-V177 WeakPolarHBondContact O-CG2 3.31Å; L153-V177 PolarHBondContact O-N 3.09Å
154	V	96.3	Very high	94.3	Very high	41 Å²	41	28.2 Å²	28.2	25%	0.248	16%	0.16	C	C	.	.			trans	-104.8	-35.8	-179.7	178.9	0	0	0	0	110.9	R133 N152 Q178 V179	R133-V154 HydrophobicContact CB-CG2 4.32Å; R133-V154 HydrophobicContact CG-CG2 4.47Å; R133-V154 WeakPolarHBondContact O-CA 3.44Å; R133-V154 PolarHBondContact O-N 3.11Å; N152-V154 PolarHBondContact O-N 3.24Å; V154-Q178 HydrophobicContact CG1-CB 3.91Å; V154-Q178 HydrophobicContact CG1-CG 3.94Å; V154-Q178 PolarHBondContact O-N 3.23Å; V154-V179 PolarHBondContact O-N 2.95Å
155	L	96.5	Very high	94.4	Very high	26 Å²	26	30.5 Å²	30.5	14%	0.136	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.3	-179	-176	155.9	0	0	0	110.4	R133 A134 L135 Y136 V179 Y181	R133-L155 PolarHBondContact O-N 2.71Å; A134-L155 WeakPolarHBondContact CA-O 3.46Å; A134-L155 HydrophobicContact CB-CB 4.11Å; A134-L155 HydrophobicContact CB-CD2 4.42Å; L135-L155 PolarHBondContact N-O 3.14Å; Y136-L155 HydrophobicContact CD1-CD2 4.09Å; Y136-L155 HydrophobicContact CD2-CD2 4.48Å; Y136-L155 HydrophobicContact CE1-CD1 4.46Å; Y136-L155 HydrophobicContact CE1-CD2 3.56Å; Y136-L155 HydrophobicContact CE2-CD2 4.01Å; Y136-L155 WeakPolarHBondContact OH-CD1 3.27Å; L155-V179 WeakPolarHBondContact CA-O 3.14Å; L155-V179 HydrophobicContact CB-CB 4.2Å; L155-V179 HydrophobicContact CD1-CB 4.12Å; L155-V179 HydrophobicContact CD1-CG1 3.88Å; L155-V179 HydrophobicContact CG-CB 3.95Å; L155-V179 HydrophobicContact CG-CG1 3.93Å; L155-Y181 HydrophobicContact CD1-CE2 4.45Å
156	L	97.3	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.5	171.4	179.6	60.2	0	0	0	110.1	L135 I145 L149 L153 L158 I174 V179 L180 Y181	L135-L156 HydrophobicContact CB-CD1 4.28Å; L135-L156 HydrophobicContact CD2-CD1 4.15Å; L135-L156 HydrophobicContact CG-CD1 4.27Å; I145-L156 HydrophobicContact CG2-CD2 4.38Å; L149-L156 HydrophobicContact CD1-CD2 4.04Å; L153-L156 HydrophobicContact CD2-CB 3.98Å; L153-L156 HydrophobicContact CD2-CD1 4.23Å; L153-L156 HydrophobicContact CD2-CG 4.48Å; L156-L158 HydrophobicContact CD1-CD1 4.36Å; L156-L158 HydrophobicContact CD1-CG 4.18Å; L156-L158 HydrophobicContact CD2-CD1 3.88Å; L156-L158 HydrophobicContact CG-CD1 4.02Å; L156-L158 HydrophobicContact CG-CG 4.15Å; L156-I174 HydrophobicContact CD2-CD1 3.79Å; L156-V179 PolarHBondContact N-O 3.15Å; L156-L180 HydrophobicContact CB-CD1 4Å; L156-L180 HydrophobicContact CD2-CD1 4.06Å; L156-L180 HydrophobicContact CG-CD1 4.15Å; L156-L180 WeakPolarHBondContact O-CA 3.1Å; L156-Y181 PolarHBondContact O-N 3.49Å
157	S	96.9	Very high	94.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.7	178.3	-165	0	0	0	0	111.8	L135 L137 D138 R483	L135-S157 PolarHBondContact O-N 2.88Å; L137-S157 PolarHBondContact N-O 2.84Å; D138-S157 VanDerWaalsContact CG-OG 3.25Å; D138-S157 VanDerWaalsContact OD1-CB 3.29Å; D138-S157 WeakPolarHBondContact OD1-CB 3.39Å; D138-S157 PolarHBondContact OD1-OG 2.69Å; D138-S157 PolarHBondContact OD2-OG 3.47Å; S157-R483 VanDerWaalsContact OG-CZ 3.24Å; S157-R483 PolarHBondContact OG-NH1 3.31Å; S157-R483 PolarHBondContact OG-NH2 2.99Å
158	L	97	Very high	94.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.			trans	-134.6	34	-174.7	-68.4	166.5	0	0	0	111.4	L137 D138 L142 I145 L156 N161 I163 Y181 L182 N185	L137-L158 HydrophobicContact CB-CD2 3.8Å; L137-L158 HydrophobicContact CD1-CD2 4.17Å; D138-L158 PolarHBondContact OD1-N 3.39Å; L142-L158 HydrophobicContact CD1-CD2 3.95Å; I145-L158 HydrophobicContact CB-CD1 4.41Å; I145-L158 HydrophobicContact CD1-CD1 4.48Å; I145-L158 HydrophobicContact CG1-CD1 3.91Å; I145-L158 HydrophobicContact CG2-CD1 4.18Å; L156-L158 HydrophobicContact CD1-CD1 4.36Å; L156-L158 HydrophobicContact CD1-CG 4.18Å; L156-L158 HydrophobicContact CD2-CD1 3.88Å; L156-L158 HydrophobicContact CG-CD1 4.02Å; L156-L158 HydrophobicContact CG-CG 4.15Å; L158-N161 VanDerWaalsContact C-ND2 3.32Å; L158-N161 PolarHBondContact O-ND2 2.81Å; L158-N161 VanDerWaalsContact O-ND2 3.11Å; L158-I163 HydrophobicContact CB-CD1 4.12Å; L158-I163 HydrophobicContact CD1-CD1 4Å; L158-I163 HydrophobicContact CD2-CD1 4.19Å; L158-I163 HydrophobicContact CG-CD1 4.35Å; L158-Y181 PolarHBondContact N-O 3.3Å; L158-L182 HydrophobicContact CB-CD2 4.12Å; L158-L182 HydrophobicContact CD1-CD2 3.98Å; L158-N185 PolarHBondContact O-ND2 2.66Å; L158-N185 VanDerWaalsContact O-ND2 3.11Å
159	E	95.4	Very high	94.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	154.4	178.7	-60.1	-169.7	153.1	0	0	111.9	D138 G139 N161 G183 K215 R483	D138-E159 CarbonylContact C-O 3.44Å; D138-E159 WeakPolarHBondContact CA-O 3.21Å; D138-E159 HydrophobicContact CB-CB 4.16Å; D138-E159 WeakPolarHBondContact CB-O 3.22Å; D138-E159 PolarHBondContact OD1-N 3.14Å; G139-E159 PolarHBondContact N-O 2.87Å; E159-N161 VanDerWaalsContact C-N 3.29Å; E159-N161 PolarHBondContact O-N 3.17Å; E159-N161 PolarHBondContact O-ND2 3.37Å; E159-G183 WeakPolarHBondContact CA-O 3.44Å; E159-G183 WeakPolarHBondContact CB-O 3.44Å; E159-K215 WeakPolarHBondContact OE1-CE 3.33Å; E159-K215 IonicContact OE1-NZ 3.81Å; E159-K215 PolarHBondContact OE1-NZ 3.23Å; E159-K215 IonicContact OE2-NZ 2.95Å; E159-R483 IonicContact OE1-NH2 2.94Å; E159-R483 PolarHBondContact OE1-NH2 3.25Å; E159-R483 IonicContact OE2-CZ 2.95Å; E159-R483 VanDerWaalsContact OE2-CZ 3.28Å; E159-R483 IonicContact OE2-NE 3.35Å; E159-R483 PolarHBondContact OE2-NE 2.8Å; E159-R483 IonicContact OE2-NH2 3.67Å; E159-R483 PolarHBondContact OE2-NH2 2.6Å; E159-R483 VanDerWaalsContact OE2-NH2 3.12Å
160	V	95.1	Very high	94.2	Very high	17 Å²	17	35.8 Å²	35.8	10%	0.103	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	38.8	171.8	-161.7	0	0	0	0	112.7	P105 I108 G139 G183 Q184	P105-V160 HydrophobicContact CG-CG1 3.86Å; I108-V160 HydrophobicContact CD1-CG1 3.35Å; G139-V160 WeakPolarHBondContact CA-O 3.49Å; G139-V160 PolarHBondContact N-O 3.2Å; V160-G183 PolarHBondContact N-O 2.95Å; V160-G183 VanDerWaalsContact N-O 3.15Å; V160-Q184 WeakPolarHBondContact CA-O 3.33Å; V160-Q184 HydrophobicContact CG2-CB 3.85Å
161	N	96.3	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-112.1	-164.2	172	-73.8	-62.8	0	0	0	109.9	L137 N140 Q141 L142 L158 E159 I163 N185 N190	L137-N161 PolarHBondContact O-ND2 3.3Å; N140-N161 WeakPolarHBondContact CA-OD1 3.5Å; N140-N161 PolarHBondContact N-OD1 2.78Å; Q141-N161 PolarHBondContact N-OD1 3.18Å; Q141-N161 VanDerWaalsContact N-OD1 3.08Å; L142-N161 HydrophobicContact CB-CB 4.13Å; L142-N161 PolarHBondContact N-OD1 3.39Å; L142-N161 WeakPolarHBondContact O-CB 3.48Å; L158-N161 VanDerWaalsContact C-ND2 3.32Å; L158-N161 PolarHBondContact O-ND2 2.81Å; L158-N161 VanDerWaalsContact O-ND2 3.11Å; E159-N161 VanDerWaalsContact C-N 3.29Å; E159-N161 PolarHBondContact O-N 3.17Å; E159-N161 PolarHBondContact O-ND2 3.37Å; N161-I163 HydrophobicContact CB-CD1 4.37Å; N161-I163 HydrophobicContact CB-CG1 4.14Å; N161-N185 WeakPolarHBondContact CA-OD1 3.49Å; N161-N185 WeakPolarHBondContact CB-OD1 3.19Å; N161-N185 PolarHBondContact N-OD1 3.27Å; N161-N185 VanDerWaalsContact N-OD1 3.14Å; N161-N185 WeakPolarHBondContact O-CA 3.03Å; N161-N185 PolarHBondContact O-OD1 2.7Å; N161-N190 PolarHBondContact O-ND2 3.18Å
162	H	94.6	Very high	94.4	Very high	42 Å²	42	34.1 Å²	34.1	19%	0.194	17%	0.168	C	C	.	.			trans	-115	37.8	174.4	-57.4	134.5	0	0	0	111.1	Q141 L142 D143 F164 N185 N190	Q141-H162 VanDerWaalsContact CG-CE1 3.48Å; Q141-H162 WeakPolarHBondContact CG-CE1 3.15Å; L142-H162 CarbonylContact O-C 3.4Å; L142-H162 WeakPolarHBondContact O-CA 3.5Å; L142-H162 PolarHBondContact O-N 3.25Å; D143-H162 IonicContact OD1-ND1 3.84Å; H162-F164 WeakPolarHBondContact O-CD1 3.4Å; H162-F164 WeakPolarHBondContact O-CE1 3.5Å; H162-F164 PolarHBondContact O-N 3.18Å; H162-N185 PolarHBondContact N-OD1 2.92Å; H162-N190 PolarHBondContact CD2-OD1 3.09Å; H162-N190 VanDerWaalsContact CD2-OD1 3.31Å; H162-N190 PolarHBondContact NE2-OD1 3.19Å
163	I	95.5	Very high	94.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.164	C	C	.	.			trans	-90.8	102.1	179.8	-52.3	175.6	0	0	0	108.8	L142 I145 L158 N161 I166 N185 Y196	L142-I163 WeakPolarHBondContact O-CG1 3.35Å; I145-I163 HydrophobicContact CG1-CD1 4.29Å; I145-I163 HydrophobicContact CG1-CG2 4.42Å; L158-I163 HydrophobicContact CB-CD1 4.12Å; L158-I163 HydrophobicContact CD1-CD1 4Å; L158-I163 HydrophobicContact CD2-CD1 4.19Å; L158-I163 HydrophobicContact CG-CD1 4.35Å; N161-I163 HydrophobicContact CB-CD1 4.37Å; N161-I163 HydrophobicContact CB-CG1 4.14Å; I163-I166 HydrophobicContact CG2-CD1 3.7Å; I163-N185 PolarHBondContact N-OD1 3.2Å; I163-N185 VanDerWaalsContact N-OD1 3.08Å; I163-N185 VanDerWaalsContact O-CB 3.25Å; I163-N185 WeakPolarHBondContact O-CB 3.18Å; I163-Y196 WeakPolarHBondContact O-CE2 3.11Å; I163-Y196 PolarHBondContact O-OH 3.28Å
164	F	93	Very high	94.2	Very high	72 Å²	72	33.9 Å²	33.9	32%	0.316	17%	0.165	S	C	.	.			trans	-120.2	4.8	-176.9	51	-100.6	0	0	0	114.6	H162 C192 V194 Y196 D197	H162-F164 WeakPolarHBondContact O-CD1 3.4Å; H162-F164 WeakPolarHBondContact O-CE1 3.5Å; H162-F164 PolarHBondContact O-N 3.18Å; F164-C192 HydrophobicContact CB-CB 4.42Å; F164-C192 HydrophobicContact CD1-CB 3.94Å; F164-C192 HydrophobicContact CG-CB 4.34Å; F164-V194 HydrophobicContact CB-CG2 4.4Å; F164-V194 HydrophobicContact CD1-CG2 4.35Å; F164-V194 HydrophobicContact CD2-CG2 3.51Å; F164-V194 HydrophobicContact CE2-CG2 3.81Å; F164-V194 HydrophobicContact CG-CG2 3.81Å; F164-V194 HydrophobicContact CZ-CG2 4.36Å; F164-Y196 HydrophobicContact CB-CD2 3.96Å; F164-Y196 HydrophobicContact CB-CE2 4.38Å; F164-Y196 WeakPolarHBondContact O-CA 3.3Å; F164-D197 PolarHBondContact O-N 2.81Å
165	Y	94.5	Very high	93.9	Very high	119 Å²	119	36.9 Å²	36.9	47%	0.467	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.8	172	179.8	-105	0	0	0	109.8	D197	Y165-D197 WeakPolarHBondContact CA-O 3.28Å; Y165-D197 HydrophobicContact CD2-CB 4.14Å
166	I	95.3	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119	179.2	-54.3	-65.9	0	0	0	109.6	I145 I163 L171 L182 Y196 D197 I198 E199 A202 F203	I145-I166 HydrophobicContact CD1-CD1 4.17Å; I163-I166 HydrophobicContact CG2-CD1 3.7Å; I166-L171 HydrophobicContact CG2-CD1 3.77Å; I166-L171 HydrophobicContact CG2-CG 4.24Å; I166-L182 HydrophobicContact CD1-CD1 4.21Å; I166-L182 HydrophobicContact CD1-CD2 4.32Å; I166-Y196 HydrophobicContact CG1-CE1 4.08Å; I166-D197 PolarHBondContact N-O 3.15Å; I166-I198 HydrophobicContact CB-CG1 4.25Å; I166-I198 HydrophobicContact CB-CG2 4.41Å; I166-I198 HydrophobicContact CG1-CG1 4.37Å; I166-E199 PolarHBondContact O-N 3.05Å; I166-A202 HydrophobicContact CG2-CB 4.2Å; I166-F203 HydrophobicContact CG2-CE1 4.21Å; I166-F203 HydrophobicContact CG2-CZ 4.05Å
167	S	94.9	Very high	93.7	Very high	10 Å²	10	39 Å²	39	7%	0.07	19%	0.188	C	C	.	.			trans	-114.2	164.7	176	67.4	0	0	0	0	112.6	E169 N170 E199	S167-E169 PolarHBondContact O-N 3.38Å; S167-N170 PolarHBondContact N-OD1 3.18Å; S167-N170 PolarHBondContact O-N 2.88Å; S167-N170 PolarHBondContact OG-N 2.78Å; S167-N170 PolarHBondContact OG-OD1 3.18Å; S167-E199 WeakPolarHBondContact CA-OE2 3.32Å; S167-E199 WeakPolarHBondContact CB-OE2 3.4Å
168	K	93.3	Very high	93.7	Very high	65 Å²	65	43.1 Å²	43.1	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-37.9	171.2	-70.2	-176.1	-171.5	99	0	111.9	N170 L171 S172 E199 D200	K168-N170 VanDerWaalsContact C-N 3.32Å; K168-N170 PolarHBondContact O-N 2.96Å; K168-L171 PolarHBondContact O-N 3.31Å; K168-S172 PolarHBondContact O-N 2.81Å; K168-S172 VanDerWaalsContact O-N 3.16Å; K168-E199 WeakPolarHBondContact CD-OE1 3.45Å; K168-E199 PolarHBondContact N-OE2 3.1Å; K168-E199 IonicContact NZ-OE1 3.69Å; K168-E199 PolarHBondContact NZ-OE1 3.13Å; K168-D200 WeakPolarHBondContact CE-O 3.44Å; K168-D200 PolarHBondContact NZ-O 3.11Å
169	E	90.9	Very high	93.7	Very high	140 Å²	140	44.4 Å²	44.4	65%	0.654	21%	0.214	S	C	*	.	H	α-helix	trans	-62.6	-38.6	177.9	-170.5	-173.8	160.4	0	0	111.5	S167 L171 S172	S167-E169 PolarHBondContact O-N 3.38Å; E169-L171 PolarHBondContact O-N 2.94Å; E169-S172 PolarHBondContact O-N 3.06Å; E169-S172 PolarHBondContact O-OG 2.88Å; E169-S172 VanDerWaalsContact O-OG 3.04Å
170	N	89.1	Confident	93.8	Very high	44 Å²	44	44.3 Å²	44.3	24%	0.235	21%	0.214	C	C	.	.	H	α-helix	trans	-67.9	-21.6	179.7	-58.4	134.7	0	0	0	113.7	I145 S167 K168	I145-N170 HydrophobicContact CD1-CB 4.14Å; S167-N170 PolarHBondContact N-OD1 3.18Å; S167-N170 PolarHBondContact O-N 2.88Å; S167-N170 PolarHBondContact OG-N 2.78Å; S167-N170 PolarHBondContact OG-OD1 3.18Å; K168-N170 VanDerWaalsContact C-N 3.32Å; K168-N170 PolarHBondContact O-N 2.96Å
171	L	93.1	Very high	93.9	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-105.7	-5.5	-175.2	-60.1	175.6	0	0	0	113	I145 I166 K168 E169 E173 I174 L180 A202 F203 L206	I145-L171 HydrophobicContact CD1-CD2 3.61Å; I166-L171 HydrophobicContact CG2-CD1 3.77Å; I166-L171 HydrophobicContact CG2-CG 4.24Å; K168-L171 PolarHBondContact O-N 3.31Å; E169-L171 PolarHBondContact O-N 2.94Å; L171-E173 PolarHBondContact O-N 3.32Å; L171-I174 HydrophobicContact CB-CG1 4.5Å; L171-I174 HydrophobicContact CD2-CD1 3.78Å; L171-I174 HydrophobicContact CD2-CG1 4.37Å; L171-I174 WeakPolarHBondContact O-CG1 3.19Å; L171-I174 PolarHBondContact O-N 2.83Å; L171-L180 HydrophobicContact CD2-CD2 4.44Å; L171-A202 HydrophobicContact CD1-CB 4.25Å; L171-A202 WeakPolarHBondContact CD1-O 3.47Å; L171-F203 HydrophobicContact CD1-CD1 3.57Å; L171-F203 HydrophobicContact CD1-CE1 3.72Å; L171-F203 HydrophobicContact CD1-CG 4.39Å; L171-L206 HydrophobicContact CD1-CD1 4.34Å
172	S	90.9	Very high	93.9	Very high	48 Å²	48	44.7 Å²	44.7	34%	0.336	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.5	-172.7	62	0	0	0	0	114	K168 E169 Q175	K168-S172 PolarHBondContact O-N 2.81Å; K168-S172 VanDerWaalsContact O-N 3.16Å; E169-S172 PolarHBondContact O-N 3.06Å; E169-S172 PolarHBondContact O-OG 2.88Å; E169-S172 VanDerWaalsContact O-OG 3.04Å; S172-Q175 WeakPolarHBondContact O-CG 3.41Å; S172-Q175 PolarHBondContact O-NE2 3.45Å
173	E	90.2	Very high	93.9	Very high	79 Å²	79	42.7 Å²	42.7	37%	0.369	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.4	-179.7	-64.6	-176.1	-177.4	0	0	113.8	G148 L149 L171	G148-E173 WeakPolarHBondContact CA-OE2 3.47Å; G148-E173 PolarHBondContact N-OE2 3.25Å; L149-E173 PolarHBondContact N-OE2 3.23Å; L149-E173 VanDerWaalsContact N-OE2 3.09Å; L171-E173 PolarHBondContact O-N 3.32Å
174	I	92.2	Very high	93.9	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	21%	0.206	C	C	.	.			trans	-113	34.8	-168.3	59.7	166.9	0	0	0	113.9	L149 L153 L156 L171 N176 V177 L206	L149-I174 HydrophobicContact CB-CG2 3.94Å; L149-I174 HydrophobicContact CD1-CG2 3.63Å; L149-I174 HydrophobicContact CG-CG2 4.44Å; L153-I174 HydrophobicContact CD2-CG2 4.39Å; L156-I174 HydrophobicContact CD2-CD1 3.79Å; L171-I174 HydrophobicContact CB-CG1 4.5Å; L171-I174 HydrophobicContact CD2-CD1 3.78Å; L171-I174 HydrophobicContact CD2-CG1 4.37Å; L171-I174 WeakPolarHBondContact O-CG1 3.19Å; L171-I174 PolarHBondContact O-N 2.83Å; I174-N176 PolarHBondContact O-N 2.89Å; I174-N176 VanDerWaalsContact O-N 3.08Å; I174-V177 HydrophobicContact CB-CG2 3.72Å; I174-V177 HydrophobicContact CD1-CG2 4.43Å; I174-V177 HydrophobicContact CG2-CG2 4.37Å; I174-V177 WeakPolarHBondContact O-CB 3.37Å; I174-V177 WeakPolarHBondContact O-CG2 3.48Å; I174-V177 PolarHBondContact O-N 2.72Å; I174-L206 HydrophobicContact CG1-CD2 4.38Å; I174-L206 WeakPolarHBondContact O-CD2 3.06Å
175	Q	90.8	Very high	94.1	Very high	104 Å²	104	39.7 Å²	39.7	49%	0.486	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.8	-174.3	-63.3	174.9	17.4	0	0	114.8	S172	S172-Q175 WeakPolarHBondContact O-CG 3.41Å; S172-Q175 PolarHBondContact O-NE2 3.45Å
176	N	92.3	Very high	94.1	Very high	71 Å²	71	34.3 Å²	34.3	38%	0.38	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.9	-179.1	-67.9	-42	0	0	0	114.5	S151 L153 I174 Q178	S151-N176 WeakPolarHBondContact O-CB 3.19Å; S151-N176 PolarHBondContact O-ND2 3.44Å; L153-N176 CarbonylContact O-C 3.58Å; I174-N176 PolarHBondContact O-N 2.89Å; I174-N176 VanDerWaalsContact O-N 3.08Å; N176-Q178 PolarHBondContact O-N 2.79Å
177	V	95.6	Very high	94	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.			trans	-65.2	130	-178.7	168.8	0	0	0	0	110.5	L153 I174 V179 L180 L209	L153-V177 HydrophobicContact CB-CG2 4.23Å; L153-V177 HydrophobicContact CD2-CG2 4.3Å; L153-V177 HydrophobicContact CG-CG2 4.28Å; L153-V177 WeakPolarHBondContact O-CA 3.28Å; L153-V177 WeakPolarHBondContact O-CG2 3.31Å; L153-V177 PolarHBondContact O-N 3.09Å; I174-V177 HydrophobicContact CB-CG2 3.72Å; I174-V177 HydrophobicContact CD1-CG2 4.43Å; I174-V177 HydrophobicContact CG2-CG2 4.37Å; I174-V177 WeakPolarHBondContact O-CB 3.37Å; I174-V177 WeakPolarHBondContact O-CG2 3.48Å; I174-V177 PolarHBondContact O-N 2.72Å; V177-V179 VanDerWaalsContact CG1-O 3.27Å; V177-V179 WeakPolarHBondContact CG1-O 3.43Å; V177-L180 HydrophobicContact CG1-CB 4.24Å; V177-L209 HydrophobicContact CG1-CD1 4.29Å; V177-L209 WeakPolarHBondContact O-CA 3.46Å
178	Q	97.2	Very high	93.9	Very high	86 Å²	86	39 Å²	39	40%	0.402	19%	0.188	S	C	.	.	S	Bend	trans	-99.3	-26.2	176.7	-62	-179.2	6.5	0	0	112.3	V154 N176 N208 T210 L211	V154-Q178 HydrophobicContact CG1-CB 3.91Å; V154-Q178 HydrophobicContact CG1-CG 3.94Å; V154-Q178 PolarHBondContact O-N 3.23Å; N176-Q178 PolarHBondContact O-N 2.79Å; Q178-N208 WeakPolarHBondContact CA-O 3.47Å; Q178-N208 HydrophobicContact CG-CB 4.4Å; Q178-T210 WeakPolarHBondContact O-CA 3.45Å; Q178-T210 PolarHBondContact O-N 3.22Å; Q178-T210 PolarHBondContact O-OG1 3.2Å; Q178-L211 PolarHBondContact O-N 3.01Å
179	V	97.1	Very high	93.9	Very high	26 Å²	26	40.5 Å²	40.5	16%	0.158	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117.2	-175.3	-179.7	0	0	0	0	109.8	V154 L155 L156 V177 Y181 L211	V154-V179 PolarHBondContact O-N 2.95Å; L155-V179 WeakPolarHBondContact CA-O 3.14Å; L155-V179 HydrophobicContact CB-CB 4.2Å; L155-V179 HydrophobicContact CD1-CB 4.12Å; L155-V179 HydrophobicContact CD1-CG1 3.88Å; L155-V179 HydrophobicContact CG-CB 3.95Å; L155-V179 HydrophobicContact CG-CG1 3.93Å; L156-V179 PolarHBondContact N-O 3.15Å; V177-V179 VanDerWaalsContact CG1-O 3.27Å; V177-V179 WeakPolarHBondContact CG1-O 3.43Å; V179-Y181 HydrophobicContact CG1-CD2 3.99Å; V179-Y181 HydrophobicContact CG1-CE2 3.3Å; V179-L211 HydrophobicContact CB-CB 4.47Å; V179-L211 HydrophobicContact CG1-CB 4.21Å; V179-L211 HydrophobicContact CG1-CD1 4.22Å; V179-L211 HydrophobicContact CG1-CD2 4.12Å; V179-L211 HydrophobicContact CG1-CG 4.41Å; V179-L211 HydrophobicContact CG2-CB 4.26Å
180	L	97.4	Very high	94.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118	-177.9	-175.1	58.8	0	0	0	111.7	L156 L171 V177 L182 F203 L206 L209 L211 L212 S213	L156-L180 HydrophobicContact CB-CD1 4Å; L156-L180 HydrophobicContact CD2-CD1 4.06Å; L156-L180 HydrophobicContact CG-CD1 4.15Å; L156-L180 WeakPolarHBondContact O-CA 3.1Å; L171-L180 HydrophobicContact CD2-CD2 4.44Å; V177-L180 HydrophobicContact CG1-CB 4.24Å; L180-L182 HydrophobicContact CD1-CD1 4.45Å; L180-L182 HydrophobicContact CD1-CG 4.2Å; L180-L182 HydrophobicContact CD2-CD1 3.83Å; L180-L182 HydrophobicContact CD2-CG 4.42Å; L180-L182 HydrophobicContact CG-CD1 3.97Å; L180-L182 HydrophobicContact CG-CG 4.03Å; L180-F203 HydrophobicContact CD2-CD1 4.35Å; L180-F203 HydrophobicContact CD2-CE1 4.07Å; L180-L206 HydrophobicContact CD2-CD1 4.22Å; L180-L209 HydrophobicContact CB-CD1 3.76Å; L180-L211 PolarHBondContact N-O 3.24Å; L180-L212 HydrophobicContact CB-CD1 4.27Å; L180-L212 HydrophobicContact CD2-CD1 4.09Å; L180-L212 HydrophobicContact CG-CD1 4.25Å; L180-S213 PolarHBondContact O-N 3.27Å
181	Y	97	Very high	94.3	Very high	26 Å²	26	34.5 Å²	34.5	10%	0.102	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.4	175.1	-60.1	-72.6	0	0	0	111.5	L155 L156 L158 V179 L211 E491	L155-Y181 HydrophobicContact CD1-CE2 4.45Å; L156-Y181 PolarHBondContact O-N 3.49Å; L158-Y181 PolarHBondContact N-O 3.3Å; V179-Y181 HydrophobicContact CG1-CD2 3.99Å; V179-Y181 HydrophobicContact CG1-CE2 3.3Å; Y181-L211 HydrophobicContact CD1-CD2 4.02Å; Y181-L211 HydrophobicContact CE1-CD1 4.29Å; Y181-L211 HydrophobicContact CE1-CD2 3.34Å; Y181-L211 HydrophobicContact CE1-CG 4.49Å; Y181-E491 WeakPolarHBondContact CE1-OE2 3.24Å; Y181-E491 PolarHBondContact OH-OE2 3.36Å
182	L	96.8	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.			trans	-125.8	15.3	-179.3	-71.6	169.9	0	0	0	112.1	L158 I166 L180 N185 F203 S213 L214 N217	L158-L182 HydrophobicContact CB-CD2 4.12Å; L158-L182 HydrophobicContact CD1-CD2 3.98Å; I166-L182 HydrophobicContact CD1-CD1 4.21Å; I166-L182 HydrophobicContact CD1-CD2 4.32Å; L180-L182 HydrophobicContact CD1-CD1 4.45Å; L180-L182 HydrophobicContact CD1-CG 4.2Å; L180-L182 HydrophobicContact CD2-CD1 3.83Å; L180-L182 HydrophobicContact CD2-CG 4.42Å; L180-L182 HydrophobicContact CG-CD1 3.97Å; L180-L182 HydrophobicContact CG-CG 4.03Å; L182-N185 PolarHBondContact O-ND2 3.06Å; L182-F203 HydrophobicContact CD1-CE1 4.01Å; L182-F203 HydrophobicContact CD1-CZ 4.22Å; L182-S213 CarbonylContact C-O 3.05Å; L182-S213 WeakPolarHBondContact CA-O 3.46Å; L182-S213 PolarHBondContact N-O 3.32Å; L182-L214 HydrophobicContact CB-CD2 3.84Å; L182-L214 HydrophobicContact CD1-CD2 4.09Å; L182-N217 PolarHBondContact O-ND2 3.44Å; L182-N217 PolarHBondContact O-OD1 2.85Å
183	G	95.2	Very high	94	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.			trans	-77.5	168.9	-174.1	0	0	0	0	0	115.8	E159 V160 N185 S213 K215	E159-G183 WeakPolarHBondContact CA-O 3.44Å; E159-G183 WeakPolarHBondContact CB-O 3.44Å; V160-G183 PolarHBondContact N-O 2.95Å; V160-G183 VanDerWaalsContact N-O 3.15Å; G183-N185 PolarHBondContact O-N 3.14Å; G183-N185 PolarHBondContact O-ND2 3.4Å; G183-S213 PolarHBondContact N-O 3.3Å; G183-K215 CarbonylContact C-O 3.52Å; G183-K215 WeakPolarHBondContact CA-O 3.27Å
184	Q	94.9	Very high	93.8	Very high	10 Å²	10	40 Å²	40	5%	0.047	20%	0.199	C	C	.	.	S	Bend	trans	60.1	23.1	174.8	-56.9	-177.3	-8.7	0	0	114.5	V160 Y187 N190 K215 S216 N217 D479	V160-Q184 WeakPolarHBondContact CA-O 3.33Å; V160-Q184 HydrophobicContact CG2-CB 3.85Å; Q184-Y187 HydrophobicContact CB-CD1 4.35Å; Q184-Y187 HydrophobicContact CB-CE1 3.96Å; Q184-N190 PolarHBondContact O-ND2 2.91Å; Q184-K215 PolarHBondContact N-O 3.18Å; Q184-S216 VanDerWaalsContact CA-O 3.31Å; Q184-S216 WeakPolarHBondContact CA-O 3.27Å; Q184-S216 PolarHBondContact N-O 3.49Å; Q184-N217 PolarHBondContact N-OD1 3.02Å; Q184-D479 PolarHBondContact NE2-OD2 3Å
185	N	96.4	Very high	93.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-85.1	-21.4	176.5	-81	-77.6	0	0	0	112.8	L158 N161 H162 I163 L182 G183 Y196 N217	L158-N185 PolarHBondContact O-ND2 2.66Å; L158-N185 VanDerWaalsContact O-ND2 3.11Å; N161-N185 WeakPolarHBondContact CA-OD1 3.49Å; N161-N185 WeakPolarHBondContact CB-OD1 3.19Å; N161-N185 PolarHBondContact N-OD1 3.27Å; N161-N185 VanDerWaalsContact N-OD1 3.14Å; N161-N185 WeakPolarHBondContact O-CA 3.03Å; N161-N185 PolarHBondContact O-OD1 2.7Å; H162-N185 PolarHBondContact N-OD1 2.92Å; I163-N185 PolarHBondContact N-OD1 3.2Å; I163-N185 VanDerWaalsContact N-OD1 3.08Å; I163-N185 VanDerWaalsContact O-CB 3.25Å; I163-N185 WeakPolarHBondContact O-CB 3.18Å; L182-N185 PolarHBondContact O-ND2 3.06Å; G183-N185 PolarHBondContact O-N 3.14Å; G183-N185 PolarHBondContact O-ND2 3.4Å; N185-Y196 HydrophobicContact CB-CE2 4.05Å; N185-N217 WeakPolarHBondContact CB-OD1 3.03Å; N185-N217 PolarHBondContact N-OD1 3.27Å
186	C	95.4	Very high	93.3	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.041	21%	0.206	C	C	.	.	S	Bend	trans	-147.6	100.5	173.9	-167.6	0	0	0	0	112.7	N190 C192 Y196 S216 N217 N218	C186-N190 CarbonylContact C-O 3.33Å; C186-N190 VanDerWaalsContact CA-O 3.31Å; C186-N190 WeakPolarHBondContact CA-O 3.18Å; C186-C192 HydrophobicContact CB-CB 3.74Å; C186-C192 WeakPolarHBondContact CB-SG 3.37Å; C186-C192 WeakPolarHBondContact SG-CB 3.3Å; C186-C192 PolarHBondContact SG-N 3.39Å; C186-C192 VanDerWaalsContact SG-N 3.35Å; C186-C192 CovalentContact SG-SG 2.03Å; C186-C192 PolarHBondContact SG-SG 3.12Å; C186-Y196 HydrophobicContact CB-CD2 4.37Å; C186-S216 CarbonylContact C-O 3.52Å; C186-S216 CarbonylContact O-C 3.19Å; C186-S216 VanDerWaalsContact O-O 3.07Å; C186-N217 CarbonylContact O-C 3.34Å; C186-N217 WeakPolarHBondContact O-CA 3.36Å; C186-N218 HydrophobicContact CB-CB 4.3Å; C186-N218 PolarHBondContact O-N 2.95Å
187	Y	94.3	Very high	93.3	Very high	26 Å²	26	39.6 Å²	39.6	10%	0.102	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-159.7	-177.9	176.8	79	-64.2	0	0	0	112.2	I108 Q184 R189 N190 P191 Y478	I108-Y187 HydrophobicContact CD1-CE1 4.15Å; I108-Y187 WeakPolarHBondContact CD1-OH 3.35Å; Q184-Y187 HydrophobicContact CB-CD1 4.35Å; Q184-Y187 HydrophobicContact CB-CE1 3.96Å; Y187-R189 VanDerWaalsContact C-N 3.3Å; Y187-R189 HydrophobicContact CD2-CB 4.45Å; Y187-R189 HydrophobicContact CE1-CB 4.19Å; Y187-R189 HydrophobicContact CE2-CB 3.68Å; Y187-R189 HydrophobicContact CE2-CG 3.75Å; Y187-R189 PolarHBondContact O-N 3.46Å; Y187-R189 VanDerWaalsContact O-N 3.12Å; Y187-N190 HydrophobicContact CD1-CB 3.65Å; Y187-N190 HydrophobicContact CE1-CB 3.44Å; Y187-N190 VanDerWaalsContact CE1-CB 3.44Å; Y187-N190 PolarHBondContact N-O 3.09Å; Y187-N190 CarbonylContact O-C 3.51Å; Y187-N190 WeakPolarHBondContact O-CA 3.24Å; Y187-N190 PolarHBondContact O-N 3.41Å; Y187-N190 VanDerWaalsContact O-O 3.05Å; Y187-P191 VanDerWaalsContact O-CA 3.32Å; Y187-P191 WeakPolarHBondContact O-CA 3.36Å; Y187-Y478 WeakPolarHBondContact CB-OH 3.5Å; Y187-Y478 HydrophobicContact CD2-CD1 4.15Å; Y187-Y478 AromaticContact CD2-CE1 3.38Å; Y187-Y478 HydrophobicContact CD2-CE1 3.38Å; Y187-Y478 AromaticContact CD2-CZ 3.75Å; Y187-Y478 HydrophobicContact CE2-CD1 4.16Å; Y187-Y478 AromaticContact CE2-CE1 3.76Å; Y187-Y478 HydrophobicContact CE2-CE1 3.76Å; Y187-Y478 HydrophobicContact CG-CE1 4.28Å
188	Y	92.6	Very high	93.3	Very high	82 Å²	82	39.9 Å²	39.9	32%	0.322	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.1	-171.2	79.1	-84.4	0	0	0	115.5	K107 F271 P272 Y478	K107-Y188 PolarHBondContact NZ-O 3.4Å; Y188-F271 HydrophobicContact CE1-CB 4.21Å; Y188-F271 HydrophobicContact CE2-CB 4.37Å; Y188-P272 HydrophobicContact CD2-CG 3.88Å; Y188-P272 HydrophobicContact CG-CG 4.25Å; Y188-Y478 HydrophobicContact CD1-CD2 4.27Å; Y188-Y478 HydrophobicContact CD1-CE2 4.14Å; Y188-Y478 AromaticContact CE1-CD1 3.84Å; Y188-Y478 HydrophobicContact CE1-CD1 3.84Å; Y188-Y478 AromaticContact CE1-CD2 3.74Å; Y188-Y478 HydrophobicContact CE1-CD2 3.74Å; Y188-Y478 HydrophobicContact CE1-CE1 4.1Å; Y188-Y478 HydrophobicContact CE1-CE2 4.03Å; Y188-Y478 AromaticContact CE1-CG 3.64Å; Y188-Y478 HydrophobicContact CE1-CG 3.64Å
189	R	93.2	Very high	93.2	Very high	97 Å²	97	38.7 Å²	38.7	37%	0.366	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.8	173.9	-49.1	-174.9	63.5	-173.1	-2.4	113.6	K107 I108 Y187	K107-R189 WeakPolarHBondContact CB-O 3.21Å; K107-R189 PolarHBondContact O-NH2 3.18Å; I108-R189 HydrophobicContact CD1-CB 4.28Å; I108-R189 HydrophobicContact CG1-CB 3.81Å; Y187-R189 VanDerWaalsContact C-N 3.3Å; Y187-R189 HydrophobicContact CD2-CB 4.45Å; Y187-R189 HydrophobicContact CE1-CB 4.19Å; Y187-R189 HydrophobicContact CE2-CB 3.68Å; Y187-R189 HydrophobicContact CE2-CG 3.75Å; Y187-R189 PolarHBondContact O-N 3.46Å; Y187-R189 VanDerWaalsContact O-N 3.12Å
190	N	94.1	Very high	92.9	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-142.3	71.8	174.4	-172.7	27.7	0	0	0	109.3	I108 N161 H162 Q184 C186 Y187	I108-N190 HydrophobicContact CD1-CB 4.03Å; N161-N190 PolarHBondContact O-ND2 3.18Å; H162-N190 PolarHBondContact CD2-OD1 3.09Å; H162-N190 VanDerWaalsContact CD2-OD1 3.31Å; H162-N190 PolarHBondContact NE2-OD1 3.19Å; Q184-N190 PolarHBondContact O-ND2 2.91Å; C186-N190 CarbonylContact C-O 3.33Å; C186-N190 VanDerWaalsContact CA-O 3.31Å; C186-N190 WeakPolarHBondContact CA-O 3.18Å; Y187-N190 HydrophobicContact CD1-CB 3.65Å; Y187-N190 HydrophobicContact CE1-CB 3.44Å; Y187-N190 VanDerWaalsContact CE1-CB 3.44Å; Y187-N190 PolarHBondContact N-O 3.09Å; Y187-N190 CarbonylContact O-C 3.51Å; Y187-N190 WeakPolarHBondContact O-CA 3.24Å; Y187-N190 PolarHBondContact O-N 3.41Å; Y187-N190 VanDerWaalsContact O-O 3.05Å
191	P	93.8	Very high	92.6	Very high	55 Å²	55	41.9 Å²	41.9	36%	0.357	22%	0.219	S	C	.	.			trans	-76.5	137.8	-172.2	30.7	-35.3	0	0	0	111	Y187	Y187-P191 VanDerWaalsContact O-CA 3.32Å; Y187-P191 WeakPolarHBondContact O-CA 3.36Å
192	C	91.1	Very high	92.6	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.128	22%	0.215	C	C	.	.			trans	-101.4	-10.4	176.5	68.3	0	0	0	0	114.1	F164 C186 V194	F164-C192 HydrophobicContact CB-CB 4.42Å; F164-C192 HydrophobicContact CD1-CB 3.94Å; F164-C192 HydrophobicContact CG-CB 4.34Å; C186-C192 HydrophobicContact CB-CB 3.74Å; C186-C192 WeakPolarHBondContact CB-SG 3.37Å; C186-C192 WeakPolarHBondContact SG-CB 3.3Å; C186-C192 PolarHBondContact SG-N 3.39Å; C186-C192 VanDerWaalsContact SG-N 3.35Å; C186-C192 CovalentContact SG-SG 2.03Å; C186-C192 PolarHBondContact SG-SG 3.12Å; C192-V194 HydrophobicContact CB-CG2 4.14Å; C192-V194 PolarHBondContact O-N 3.06Å; C192-V194 PolarHBondContact SG-O 3.08Å
193	N	87.1	Confident	92.5	Very high	160 Å²	160	40.9 Å²	40.9	86%	0.856	22%	0.216	S	C	*	.	S	Bend	trans	55.7	10	-176.9	-61.6	-17.4	0	0	0	115.8
194	V	86.3	Confident	92.4	Very high	67 Å²	67	45 Å²	45	41%	0.406	24%	0.238	S	C	.	.	S	Bend	trans	-131.1	167	176.8	-63.3	0	0	0	0	109.9	F164 C192	F164-V194 HydrophobicContact CB-CG2 4.4Å; F164-V194 HydrophobicContact CD1-CG2 4.35Å; F164-V194 HydrophobicContact CD2-CG2 3.51Å; F164-V194 HydrophobicContact CE2-CG2 3.81Å; F164-V194 HydrophobicContact CG-CG2 3.81Å; F164-V194 HydrophobicContact CZ-CG2 4.36Å; C192-V194 HydrophobicContact CB-CG2 4.14Å; C192-V194 PolarHBondContact O-N 3.06Å; C192-V194 PolarHBondContact SG-O 3.08Å
195	S	80.9	Confident	92.2	Very high	91 Å²	91	49 Å²	49	64%	0.636	26%	0.256	S	S	*	.			trans	-74.7	137.7	168.3	50.3	0	0	0	0	109.8
196	Y	90.3	Very high	92.1	Very high	3 Å²	3	49 Å²	49	1%	0.012	26%	0.256	C	S	.	.			trans	-74	126.2	170.9	-164.2	-69.8	0	0	0	108.9	I163 F164 I166 N185 C186 I198 N217 L219	I163-Y196 WeakPolarHBondContact O-CE2 3.11Å; I163-Y196 PolarHBondContact O-OH 3.28Å; F164-Y196 HydrophobicContact CB-CD2 3.96Å; F164-Y196 HydrophobicContact CB-CE2 4.38Å; F164-Y196 WeakPolarHBondContact O-CA 3.3Å; I166-Y196 HydrophobicContact CG1-CE1 4.08Å; N185-Y196 HydrophobicContact CB-CE2 4.05Å; C186-Y196 HydrophobicContact CB-CD2 4.37Å; Y196-I198 HydrophobicContact CD1-CD1 4.18Å; Y196-I198 HydrophobicContact CD1-CG1 3.95Å; Y196-I198 HydrophobicContact CE1-CD1 3.85Å; Y196-I198 HydrophobicContact CE1-CG1 3.7Å; Y196-N217 WeakPolarHBondContact CB-O 3.18Å; Y196-N217 HydrophobicContact CD2-CB 3.67Å; Y196-N217 VanDerWaalsContact CD2-O 3.3Å; Y196-N217 WeakPolarHBondContact CD2-O 3.29Å; Y196-N217 HydrophobicContact CE2-CB 3.77Å; Y196-N217 HydrophobicContact CG-CB 4.15Å; Y196-L219 HydrophobicContact CD1-CD2 3.4Å; Y196-L219 HydrophobicContact CD1-CG 4.34Å; Y196-L219 HydrophobicContact CE1-CD2 4.12Å; Y196-L219 HydrophobicContact CG-CD2 3.98Å
197	D	92.7	Very high	92	Very high	74 Å²	74	56 Å²	56	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.7	-173	-170.5	27.6	0	0	0	111.6	F164 Y165 I166	F164-D197 PolarHBondContact O-N 2.81Å; Y165-D197 WeakPolarHBondContact CA-O 3.28Å; Y165-D197 HydrophobicContact CD2-CB 4.14Å; I166-D197 PolarHBondContact N-O 3.15Å
198	I	95.3	Very high	92.1	Very high	6 Å²	6	58.6 Å²	58.6	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.2	-175.4	-60.8	172.2	0	0	0	107.3	I166 Y196 A202 F203 L214 L219 P223	I166-I198 HydrophobicContact CB-CG1 4.25Å; I166-I198 HydrophobicContact CB-CG2 4.41Å; I166-I198 HydrophobicContact CG1-CG1 4.37Å; Y196-I198 HydrophobicContact CD1-CD1 4.18Å; Y196-I198 HydrophobicContact CD1-CG1 3.95Å; Y196-I198 HydrophobicContact CE1-CD1 3.85Å; Y196-I198 HydrophobicContact CE1-CG1 3.7Å; I198-A202 HydrophobicContact CG2-CB 3.94Å; I198-F203 HydrophobicContact CD1-CE2 4.29Å; I198-F203 HydrophobicContact CG2-CD2 4.45Å; I198-F203 HydrophobicContact CG2-CE2 3.75Å; I198-F203 HydrophobicContact CG2-CZ 4.41Å; I198-L214 HydrophobicContact CD1-CD1 4.2Å; I198-L214 HydrophobicContact CD1-CD2 4.4Å; I198-L219 HydrophobicContact CD1-CD1 4.49Å; I198-L219 HydrophobicContact CD1-CD2 3.74Å; I198-L219 HydrophobicContact CG1-CD2 4.4Å; I198-P223 HydrophobicContact CD1-CB 4.48Å; I198-P223 HydrophobicContact CD1-CG 3.74Å; I198-P223 HydrophobicContact CG2-CB 4.45Å
199	E	95.2	Very high	92.3	Very high	62 Å²	62	54.7 Å²	54.7	29%	0.29	29%	0.289	S	S	.	.			trans	-59.7	139.8	177.2	-166.5	-161.1	145.9	0	0	111.5	I166 S167 K168 G201 A202	I166-E199 PolarHBondContact O-N 3.05Å; S167-E199 WeakPolarHBondContact CA-OE2 3.32Å; S167-E199 WeakPolarHBondContact CB-OE2 3.4Å; K168-E199 WeakPolarHBondContact CD-OE1 3.45Å; K168-E199 PolarHBondContact N-OE2 3.1Å; K168-E199 IonicContact NZ-OE1 3.69Å; K168-E199 PolarHBondContact NZ-OE1 3.13Å; E199-G201 PolarHBondContact O-N 3.45Å; E199-G201 VanDerWaalsContact O-N 3.11Å; E199-A202 HydrophobicContact CB-CB 4.37Å; E199-A202 WeakPolarHBondContact O-CB 3.36Å; E199-A202 PolarHBondContact O-N 3.41Å
200	D	92.3	Very high	92.5	Very high	90 Å²	90	51.9 Å²	51.9	48%	0.481	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	117.1	-179.7	-80.9	-6	0	0	0	112.9	K168 A202	K168-D200 WeakPolarHBondContact CE-O 3.44Å; K168-D200 PolarHBondContact NZ-O 3.11Å; D200-A202 VanDerWaalsContact C-N 3.34Å
201	G	91.3	Very high	92.6	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.021	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	24.4	-177.3	0	0	0	0	0	114	E199 F203 L204	E199-G201 PolarHBondContact O-N 3.45Å; E199-G201 VanDerWaalsContact O-N 3.11Å; G201-F203 PolarHBondContact O-N 2.99Å; G201-L204 VanDerWaalsContact O-CB 3.24Å; G201-L204 WeakPolarHBondContact O-CB 3.38Å; G201-L204 PolarHBondContact O-N 3.45Å; G201-L204 VanDerWaalsContact O-N 3.1Å
202	A	94.9	Very high	92.8	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-42.1	175.4	0	0	0	0	0	112.8	I166 L171 I198 E199 D200	I166-A202 HydrophobicContact CG2-CB 4.2Å; L171-A202 HydrophobicContact CD1-CB 4.25Å; L171-A202 WeakPolarHBondContact CD1-O 3.47Å; I198-A202 HydrophobicContact CG2-CB 3.94Å; E199-A202 HydrophobicContact CB-CB 4.37Å; E199-A202 WeakPolarHBondContact O-CB 3.36Å; E199-A202 PolarHBondContact O-N 3.41Å; D200-A202 VanDerWaalsContact C-N 3.34Å
203	F	95.6	Very high	93.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.018	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.3	-177.6	-54.8	-72.5	0	0	0	114.5	I166 L171 L180 L182 I198 G201 Q205 L206 L212 L214 P223 L226	I166-F203 HydrophobicContact CG2-CE1 4.21Å; I166-F203 HydrophobicContact CG2-CZ 4.05Å; L171-F203 HydrophobicContact CD1-CD1 3.57Å; L171-F203 HydrophobicContact CD1-CE1 3.72Å; L171-F203 HydrophobicContact CD1-CG 4.39Å; L180-F203 HydrophobicContact CD2-CD1 4.35Å; L180-F203 HydrophobicContact CD2-CE1 4.07Å; L182-F203 HydrophobicContact CD1-CE1 4.01Å; L182-F203 HydrophobicContact CD1-CZ 4.22Å; I198-F203 HydrophobicContact CD1-CE2 4.29Å; I198-F203 HydrophobicContact CG2-CD2 4.45Å; I198-F203 HydrophobicContact CG2-CE2 3.75Å; I198-F203 HydrophobicContact CG2-CZ 4.41Å; G201-F203 PolarHBondContact O-N 2.99Å; F203-Q205 VanDerWaalsContact C-N 3.27Å; F203-Q205 PolarHBondContact O-N 3.02Å; F203-L206 HydrophobicContact CD1-CD1 4.12Å; F203-L206 WeakPolarHBondContact O-CB 3.45Å; F203-L206 PolarHBondContact O-N 3Å; F203-L206 VanDerWaalsContact O-N 3.1Å; F203-L212 HydrophobicContact CD1-CD1 4.48Å; F203-L212 HydrophobicContact CD1-CD2 4.48Å; F203-L212 HydrophobicContact CD2-CD2 4.26Å; F203-L212 HydrophobicContact CE1-CD1 4.11Å; F203-L212 HydrophobicContact CE2-CD2 4.32Å; F203-L212 HydrophobicContact CG-CD2 4.34Å; F203-L212 HydrophobicContact CZ-CD1 4.41Å; F203-L212 HydrophobicContact CZ-CD2 4.47Å; F203-L214 HydrophobicContact CE2-CD1 4.28Å; F203-L214 HydrophobicContact CZ-CD1 4.39Å; F203-L214 HydrophobicContact CZ-CD2 4.36Å; F203-P223 HydrophobicContact CD2-CB 4.47Å; F203-P223 HydrophobicContact CE2-CB 4.36Å; F203-P223 HydrophobicContact CE2-CG 4.48Å; F203-L226 HydrophobicContact CB-CD2 4.38Å; F203-L226 HydrophobicContact CD2-CD2 3.86Å; F203-L226 HydrophobicContact CG-CD2 4.41Å
204	L	92.8	Very high	93.6	Very high	86 Å²	86	41.1 Å²	41.1	45%	0.45	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.8	-170.2	-177	63.1	0	0	0	112.8	G201 L206 R225	G201-L204 VanDerWaalsContact O-CB 3.24Å; G201-L204 WeakPolarHBondContact O-CB 3.38Å; G201-L204 PolarHBondContact O-N 3.45Å; G201-L204 VanDerWaalsContact O-N 3.1Å; L204-L206 VanDerWaalsContact C-N 3.25Å; L204-L206 PolarHBondContact O-N 2.99Å; L204-R225 HydrophobicContact CD1-CB 4.5Å
205	Q	91.3	Very high	94	Very high	93 Å²	93	38 Å²	38	44%	0.435	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.7	-180	-64.5	-179.3	-6.5	0	0	113.5	F203 E207	F203-Q205 VanDerWaalsContact C-N 3.27Å; F203-Q205 PolarHBondContact O-N 3.02Å; Q205-E207 VanDerWaalsContact C-N 3.28Å; Q205-E207 PolarHBondContact O-N 2.93Å; Q205-E207 VanDerWaalsContact O-N 3.08Å
206	L	94.5	Very high	94.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.171	C	C	.	.			trans	-87	66.8	-179.1	-54.3	-178.1	0	0	0	110.4	L171 I174 L180 F203 L204 N208 L209	L171-L206 HydrophobicContact CD1-CD1 4.34Å; I174-L206 HydrophobicContact CG1-CD2 4.38Å; I174-L206 WeakPolarHBondContact O-CD2 3.06Å; L180-L206 HydrophobicContact CD2-CD1 4.22Å; F203-L206 HydrophobicContact CD1-CD1 4.12Å; F203-L206 WeakPolarHBondContact O-CB 3.45Å; F203-L206 PolarHBondContact O-N 3Å; F203-L206 VanDerWaalsContact O-N 3.1Å; L204-L206 VanDerWaalsContact C-N 3.25Å; L204-L206 PolarHBondContact O-N 2.99Å; L206-N208 PolarHBondContact O-N 2.93Å; L206-N208 VanDerWaalsContact O-N 3.13Å; L206-L209 HydrophobicContact CB-CB 3.92Å; L206-L209 HydrophobicContact CB-CD2 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.15Å; L206-L209 WeakPolarHBondContact O-CB 3.45Å; L206-L209 PolarHBondContact O-N 2.83Å
207	E	92.9	Very high	95	Very high	154 Å²	154	33.5 Å²	33.5	72%	0.72	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.7	-173.2	-63.1	-175.9	179.6	0	0	114.2	Q205 S229	Q205-E207 VanDerWaalsContact C-N 3.28Å; Q205-E207 PolarHBondContact O-N 2.93Å; Q205-E207 VanDerWaalsContact O-N 3.08Å; E207-S229 WeakPolarHBondContact O-CB 3.34Å; E207-S229 PolarHBondContact O-OG 3Å; E207-S229 VanDerWaalsContact O-OG 3.1Å
208	N	95.4	Very high	95.1	Very high	79 Å²	79	33.5 Å²	33.5	42%	0.422	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.5	178.1	-71.9	-26.1	0	0	0	113.3	Q178 L206 T210	Q178-N208 WeakPolarHBondContact CA-O 3.47Å; Q178-N208 HydrophobicContact CG-CB 4.4Å; L206-N208 PolarHBondContact O-N 2.93Å; L206-N208 VanDerWaalsContact O-N 3.13Å; N208-T210 PolarHBondContact O-N 2.66Å
209	L	97.2	Very high	95.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.			trans	-69.4	119.3	-173.4	-169.3	68.2	0	0	0	111.2	V177 L180 L206 L212 P227 S229 L230	V177-L209 HydrophobicContact CG1-CD1 4.29Å; V177-L209 WeakPolarHBondContact O-CA 3.46Å; L180-L209 HydrophobicContact CB-CD1 3.76Å; L206-L209 HydrophobicContact CB-CB 3.92Å; L206-L209 HydrophobicContact CB-CD2 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.15Å; L206-L209 WeakPolarHBondContact O-CB 3.45Å; L206-L209 PolarHBondContact O-N 2.83Å; L209-L212 HydrophobicContact CD2-CB 4.14Å; L209-L212 HydrophobicContact CD2-CD1 4.46Å; L209-P227 HydrophobicContact CB-CG 4.15Å; L209-P227 HydrophobicContact CD2-CG 4.09Å; L209-S229 PolarHBondContact N-OG 2.98Å; L209-S229 CarbonylContact O-C 3.4Å; L209-S229 VanDerWaalsContact O-CB 3.28Å; L209-S229 WeakPolarHBondContact O-CB 3.27Å; L209-S229 PolarHBondContact O-OG 3.27Å; L209-L230 HydrophobicContact CD2-CD2 4.03Å; L209-L230 HydrophobicContact CG-CD2 3.91Å; L209-L230 WeakPolarHBondContact O-CA 3.4Å; L209-L230 PolarHBondContact O-N 2.79Å
210	T	97.5	Very high	94.9	Very high	39 Å²	39	33.6 Å²	33.6	24%	0.239	18%	0.179	C	C	.	.			trans	-107.3	-29.8	-179.9	65.1	0	0	0	0	112.9	Q178 N208 R231 Q232	Q178-T210 WeakPolarHBondContact O-CA 3.45Å; Q178-T210 PolarHBondContact O-N 3.22Å; Q178-T210 PolarHBondContact O-OG1 3.2Å; N208-T210 PolarHBondContact O-N 2.66Å; T210-R231 WeakPolarHBondContact O-CA 3.48Å; T210-R231 PolarHBondContact O-N 3.45Å; T210-Q232 PolarHBondContact O-N 3.42Å
211	L	97.5	Very high	95	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.6	179.6	-172.3	163.6	0	0	0	109.7	Q178 V179 L180 Y181 Q232 Y234	Q178-L211 PolarHBondContact O-N 3.01Å; V179-L211 HydrophobicContact CB-CB 4.47Å; V179-L211 HydrophobicContact CG1-CB 4.21Å; V179-L211 HydrophobicContact CG1-CD1 4.22Å; V179-L211 HydrophobicContact CG1-CD2 4.12Å; V179-L211 HydrophobicContact CG1-CG 4.41Å; V179-L211 HydrophobicContact CG2-CB 4.26Å; L180-L211 PolarHBondContact N-O 3.24Å; Y181-L211 HydrophobicContact CD1-CD2 4.02Å; Y181-L211 HydrophobicContact CE1-CD1 4.29Å; Y181-L211 HydrophobicContact CE1-CD2 3.34Å; Y181-L211 HydrophobicContact CE1-CG 4.49Å; L211-Q232 WeakPolarHBondContact CA-O 3.28Å; L211-Q232 HydrophobicContact CB-CB 4.25Å; L211-Q232 HydrophobicContact CD1-CB 4.38Å; L211-Q232 VanDerWaalsContact CD1-OE1 3.22Å; L211-Q232 HydrophobicContact CG-CB 3.94Å; L211-Y234 HydrophobicContact CD1-CE2 4.21Å; L211-Y234 HydrophobicContact CD2-CD2 4.29Å; L211-Y234 HydrophobicContact CD2-CE2 4.22Å; L211-Y234 HydrophobicContact CG-CE2 4.07Å
212	L	97.6	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.1	170.4	179.4	60.8	0	0	0	110.5	L180 F203 L209 L214 L226 L230 Q232 L233 Y234	L180-L212 HydrophobicContact CB-CD1 4.27Å; L180-L212 HydrophobicContact CD2-CD1 4.09Å; L180-L212 HydrophobicContact CG-CD1 4.25Å; F203-L212 HydrophobicContact CD1-CD1 4.48Å; F203-L212 HydrophobicContact CD1-CD2 4.48Å; F203-L212 HydrophobicContact CD2-CD2 4.26Å; F203-L212 HydrophobicContact CE1-CD1 4.11Å; F203-L212 HydrophobicContact CE2-CD2 4.32Å; F203-L212 HydrophobicContact CG-CD2 4.34Å; F203-L212 HydrophobicContact CZ-CD1 4.41Å; F203-L212 HydrophobicContact CZ-CD2 4.47Å; L209-L212 HydrophobicContact CD2-CB 4.14Å; L209-L212 HydrophobicContact CD2-CD1 4.46Å; L212-L214 HydrophobicContact CD1-CD1 4.5Å; L212-L214 HydrophobicContact CD1-CG 4.19Å; L212-L214 HydrophobicContact CD2-CD1 3.95Å; L212-L214 HydrophobicContact CD2-CG 4.45Å; L212-L214 HydrophobicContact CG-CD1 4.18Å; L212-L214 HydrophobicContact CG-CG 4.15Å; L212-L226 HydrophobicContact CD2-CD2 3.68Å; L212-L230 HydrophobicContact CB-CD2 3.81Å; L212-Q232 PolarHBondContact N-O 3Å; L212-L233 HydrophobicContact CB-CD1 4.2Å; L212-L233 HydrophobicContact CD2-CD1 4.19Å; L212-L233 HydrophobicContact CG-CD1 4.31Å; L212-Y234 PolarHBondContact O-N 3.05Å
213	S	97.1	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118	173.9	-177	0	0	0	0	111.5	L180 L182 G183	L180-S213 PolarHBondContact O-N 3.27Å; L182-S213 CarbonylContact C-O 3.05Å; L182-S213 WeakPolarHBondContact CA-O 3.46Å; L182-S213 PolarHBondContact N-O 3.32Å; G183-S213 PolarHBondContact N-O 3.3Å
214	L	96.9	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.			trans	-123.6	28.6	177.7	-69.3	168.6	0	0	0	110.9	L182 I198 F203 L212 L219 P223 Y234 L235 N238	L182-L214 HydrophobicContact CB-CD2 3.84Å; L182-L214 HydrophobicContact CD1-CD2 4.09Å; I198-L214 HydrophobicContact CD1-CD1 4.2Å; I198-L214 HydrophobicContact CD1-CD2 4.4Å; F203-L214 HydrophobicContact CE2-CD1 4.28Å; F203-L214 HydrophobicContact CZ-CD1 4.39Å; F203-L214 HydrophobicContact CZ-CD2 4.36Å; L212-L214 HydrophobicContact CD1-CD1 4.5Å; L212-L214 HydrophobicContact CD1-CG 4.19Å; L212-L214 HydrophobicContact CD2-CD1 3.95Å; L212-L214 HydrophobicContact CD2-CG 4.45Å; L212-L214 HydrophobicContact CG-CD1 4.18Å; L212-L214 HydrophobicContact CG-CG 4.15Å; L214-L219 HydrophobicContact CB-CD1 3.84Å; L214-L219 HydrophobicContact CD1-CD1 4.3Å; L214-P223 HydrophobicContact CD1-CG 3.8Å; L214-Y234 CarbonylContact C-O 3.58Å; L214-Y234 PolarHBondContact N-O 2.94Å; L214-L235 HydrophobicContact CB-CD2 4.05Å; L214-L235 HydrophobicContact CD1-CD2 4.14Å; L214-N238 PolarHBondContact O-ND2 2.83Å
215	K	95.4	Very high	94.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	150.2	-179.9	66.8	-177.2	178.4	-158.1	0	112.2	E159 G183 Q184 N217 Y234 Y236 E491	E159-K215 WeakPolarHBondContact OE1-CE 3.33Å; E159-K215 IonicContact OE1-NZ 3.81Å; E159-K215 PolarHBondContact OE1-NZ 3.23Å; E159-K215 IonicContact OE2-NZ 2.95Å; G183-K215 CarbonylContact C-O 3.52Å; G183-K215 WeakPolarHBondContact CA-O 3.27Å; Q184-K215 PolarHBondContact N-O 3.18Å; K215-N217 VanDerWaalsContact C-N 3.3Å; K215-N217 PolarHBondContact O-N 2.82Å; K215-N217 PolarHBondContact O-OD1 3.2Å; K215-Y234 PolarHBondContact N-O 2.76Å; K215-Y236 CarbonylContact C-O 3.51Å; K215-Y236 VanDerWaalsContact CA-O 3.22Å; K215-Y236 WeakPolarHBondContact CA-O 3.47Å; K215-Y236 HydrophobicContact CB-CD1 3.91Å; K215-Y236 HydrophobicContact CB-CD2 4.03Å; K215-Y236 HydrophobicContact CB-CE1 3.68Å; K215-Y236 HydrophobicContact CB-CE2 3.79Å; K215-Y236 HydrophobicContact CB-CG 4.1Å; K215-Y236 HydrophobicContact CD-CE1 3.85Å; K215-Y236 HydrophobicContact CD-CE2 3.85Å; K215-Y236 WeakPolarHBondContact CD-OH 2.94Å; K215-Y236 HydrophobicContact CG-CE1 4.37Å; K215-Y236 HydrophobicContact CG-CE2 4.37Å; K215-E491 IonicContact NZ-OE1 3.23Å; K215-E491 PolarHBondContact NZ-OE1 2.85Å
216	S	95.4	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	46.2	168.6	-50.8	0	0	0	0	113.7	Q184 C186 Y236 N237 Y478	Q184-S216 VanDerWaalsContact CA-O 3.31Å; Q184-S216 WeakPolarHBondContact CA-O 3.27Å; Q184-S216 PolarHBondContact N-O 3.49Å; C186-S216 CarbonylContact C-O 3.52Å; C186-S216 CarbonylContact O-C 3.19Å; C186-S216 VanDerWaalsContact O-O 3.07Å; S216-Y236 PolarHBondContact N-O 3.02Å; S216-N237 VanDerWaalsContact CA-O 3.32Å; S216-N237 WeakPolarHBondContact CA-O 3.13Å; S216-Y478 WeakPolarHBondContact CB-OH 3.22Å; S216-Y478 WeakPolarHBondContact OG-CE1 3.03Å; S216-Y478 PolarHBondContact OG-OH 2.53Å
217	N	96.3	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-118.7	5.8	-177.3	-81.4	-13.9	0	0	0	113.2	L182 Q184 N185 C186 Y196 K215 L219 N238	L182-N217 PolarHBondContact O-ND2 3.44Å; L182-N217 PolarHBondContact O-OD1 2.85Å; Q184-N217 PolarHBondContact N-OD1 3.02Å; N185-N217 WeakPolarHBondContact CB-OD1 3.03Å; N185-N217 PolarHBondContact N-OD1 3.27Å; C186-N217 CarbonylContact O-C 3.34Å; C186-N217 WeakPolarHBondContact O-CA 3.36Å; Y196-N217 WeakPolarHBondContact CB-O 3.18Å; Y196-N217 HydrophobicContact CD2-CB 3.67Å; Y196-N217 VanDerWaalsContact CD2-O 3.3Å; Y196-N217 WeakPolarHBondContact CD2-O 3.29Å; Y196-N217 HydrophobicContact CE2-CB 3.77Å; Y196-N217 HydrophobicContact CG-CB 4.15Å; K215-N217 VanDerWaalsContact C-N 3.3Å; K215-N217 PolarHBondContact O-N 2.82Å; K215-N217 PolarHBondContact O-OD1 3.2Å; N217-L219 HydrophobicContact CB-CG 4.15Å; N217-L219 PolarHBondContact O-N 2.83Å; N217-N238 WeakPolarHBondContact CA-OD1 3.14Å; N217-N238 PolarHBondContact N-OD1 3.18Å
218	N	94.8	Very high	95	Very high	75 Å²	75	32.9 Å²	32.9	40%	0.401	16%	0.164	S	C	.	.			trans	59.2	32.1	-177.9	-163.1	40.6	0	0	0	113.3	C186 N238	C186-N218 HydrophobicContact CB-CB 4.3Å; C186-N218 PolarHBondContact O-N 2.95Å; N218-N238 PolarHBondContact N-OD1 3Å
219	L	94.8	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.			trans	-68.6	135.2	175.8	-68.6	171	0	0	0	111.1	Y196 I198 L214 N217 L235 N238 N239 I240	Y196-L219 HydrophobicContact CD1-CD2 3.4Å; Y196-L219 HydrophobicContact CD1-CG 4.34Å; Y196-L219 HydrophobicContact CE1-CD2 4.12Å; Y196-L219 HydrophobicContact CG-CD2 3.98Å; I198-L219 HydrophobicContact CD1-CD1 4.49Å; I198-L219 HydrophobicContact CD1-CD2 3.74Å; I198-L219 HydrophobicContact CG1-CD2 4.4Å; L214-L219 HydrophobicContact CB-CD1 3.84Å; L214-L219 HydrophobicContact CD1-CD1 4.3Å; N217-L219 HydrophobicContact CB-CG 4.15Å; N217-L219 PolarHBondContact O-N 2.83Å; L219-L235 HydrophobicContact CD1-CD2 4.39Å; L219-N238 HydrophobicContact CB-CB 3.97Å; L219-N238 PolarHBondContact N-OD1 2.8Å; L219-N239 CarbonylContact O-C 3.21Å; L219-N239 VanDerWaalsContact O-CA 3.29Å; L219-N239 WeakPolarHBondContact O-CA 3.42Å; L219-N239 PolarHBondContact O-N 2.81Å; L219-I240 PolarHBondContact O-N 3Å
220	S	92.5	Very high	95.1	Very high	70 Å²	70	30.4 Å²	30.4	49%	0.49	15%	0.153	S	C	.	.	S	Bend	trans	-97	-11.5	174.2	53.3	0	0	0	0	113.9
221	F	94	Very high	95.1	Very high	52 Å²	52	34.6 Å²	34.6	23%	0.228	16%	0.164	C	C	.	.	S	Bend	trans	-141.3	162.8	-177.1	61.9	-87.3	0	0	0	111.5
222	I	94.9	Very high	95.1	Very high	5 Å²	5	37 Å²	37	3%	0.026	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-85.8	129.5	171.5	-62.4	169.1	0	0	0	108.1	Y224 L235 I240 V243 D247 F248	I222-Y224 PolarHBondContact O-N 3.01Å; I222-L235 HydrophobicContact CG1-CD1 4.18Å; I222-L235 HydrophobicContact CG2-CD1 4.1Å; I222-I240 HydrophobicContact CG1-CD1 3.96Å; I222-I240 HydrophobicContact CG1-CG2 4.22Å; I222-V243 HydrophobicContact CD1-CB 4.46Å; I222-V243 HydrophobicContact CD1-CG1 4.12Å; I222-V243 HydrophobicContact CD1-CG2 4.03Å; I222-D247 HydrophobicContact CB-CB 4.31Å; I222-D247 HydrophobicContact CD1-CB 3.85Å; I222-D247 HydrophobicContact CG2-CB 4.25Å; I222-F248 HydrophobicContact CD1-CE1 3.92Å; I222-F248 HydrophobicContact CD1-CE2 4.21Å; I222-F248 HydrophobicContact CD1-CZ 3.52Å; I222-F248 HydrophobicContact CG2-CE1 4.01Å
223	P	93.8	Very high	95.1	Very high	4 Å²	4	37 Å²	37	3%	0.026	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-57.4	130	-179.4	-24.3	33.2	0	0	0	112.6	I198 F203 L214 L226	I198-P223 HydrophobicContact CD1-CB 4.48Å; I198-P223 HydrophobicContact CD1-CG 3.74Å; I198-P223 HydrophobicContact CG2-CB 4.45Å; F203-P223 HydrophobicContact CD2-CB 4.47Å; F203-P223 HydrophobicContact CE2-CB 4.36Å; F203-P223 HydrophobicContact CE2-CG 4.48Å; L214-P223 HydrophobicContact CD1-CG 3.8Å; P223-L226 HydrophobicContact CB-CD2 4.1Å; P223-L226 HydrophobicContact CB-CG 4.42Å; P223-L226 WeakPolarHBondContact O-CG 3.48Å
224	Y	89.5	Confident	95.2	Very high	131 Å²	131	37.7 Å²	37.7	51%	0.514	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	144.7	-179.9	-64.7	-71.8	0	0	0	112.4	I222	I222-Y224 PolarHBondContact O-N 3.01Å
225	R	90.6	Very high	95.2	Very high	138 Å²	138	37.7 Å²	37.7	52%	0.521	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	49.2	174.9	-59.9	-177.4	-72	-168.1	-5.6	114	L204	L204-R225 HydrophobicContact CD1-CB 4.5Å
226	L	94.8	Very high	95.2	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.052	18%	0.18	C	C	.	.			trans	-61.5	149.1	169	-71.4	172.7	0	0	0	111.9	F203 L212 P223 L230 L233 L251	F203-L226 HydrophobicContact CB-CD2 4.38Å; F203-L226 HydrophobicContact CD2-CD2 3.86Å; F203-L226 HydrophobicContact CG-CD2 4.41Å; L212-L226 HydrophobicContact CD2-CD2 3.68Å; P223-L226 HydrophobicContact CB-CD2 4.1Å; P223-L226 HydrophobicContact CB-CG 4.42Å; P223-L226 WeakPolarHBondContact O-CG 3.48Å; L226-L230 HydrophobicContact CB-CD1 3.96Å; L226-L230 HydrophobicContact CD1-CD1 4.39Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 HydrophobicContact CG-CD1 4.49Å; L226-L233 HydrophobicContact CD1-CD1 4.24Å; L226-L233 HydrophobicContact CD1-CD2 3.8Å; L226-L251 HydrophobicContact CB-CD1 4.46Å; L226-L251 HydrophobicContact CB-CD2 3.89Å; L226-L251 HydrophobicContact CD1-CD1 4.18Å
227	P	94.9	Very high	95.3	Very high	6 Å²	6	39 Å²	39	4%	0.039	19%	0.185	C	C	.	.			trans	-70.6	140.7	-175.4	25.8	-31.5	0	0	0	112.9	L209 S229 L230 L251	L209-P227 HydrophobicContact CB-CG 4.15Å; L209-P227 HydrophobicContact CD2-CG 4.09Å; P227-S229 PolarHBondContact O-N 2.79Å; P227-L230 HydrophobicContact CG-CD1 4.27Å; P227-L230 HydrophobicContact CG-CG 4.11Å; P227-L230 WeakPolarHBondContact O-CG 3.01Å; P227-L230 PolarHBondContact O-N 2.91Å; P227-L251 WeakPolarHBondContact O-CD2 3.4Å
228	V	94.9	Very high	95.3	Very high	70 Å²	70	39.6 Å²	39.6	42%	0.424	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.9	-176.1	-177.3	0	0	0	0	112.9	L230 N250 N253	V228-L230 PolarHBondContact O-N 3.37Å; V228-N250 HydrophobicContact CG2-CB 4.28Å; V228-N253 PolarHBondContact O-ND2 3.11Å
229	S	96.6	Very high	95.2	Very high	28 Å²	28	38.8 Å²	38.8	20%	0.196	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-16	176.4	54.1	0	0	0	0	114	E207 L209 P227 R231	E207-S229 WeakPolarHBondContact O-CB 3.34Å; E207-S229 PolarHBondContact O-OG 3Å; E207-S229 VanDerWaalsContact O-OG 3.1Å; L209-S229 PolarHBondContact N-OG 2.98Å; L209-S229 CarbonylContact O-C 3.4Å; L209-S229 VanDerWaalsContact O-CB 3.28Å; L209-S229 WeakPolarHBondContact O-CB 3.27Å; L209-S229 PolarHBondContact O-OG 3.27Å; P227-S229 PolarHBondContact O-N 2.79Å; S229-R231 PolarHBondContact O-N 3.36Å
230	L	97.6	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.			trans	-59.9	132.9	-176.7	-78.1	174.3	0	0	0	112.2	L209 L212 L226 P227 V228 L251 N253 L254	L209-L230 HydrophobicContact CD2-CD2 4.03Å; L209-L230 HydrophobicContact CG-CD2 3.91Å; L209-L230 WeakPolarHBondContact O-CA 3.4Å; L209-L230 PolarHBondContact O-N 2.79Å; L212-L230 HydrophobicContact CB-CD2 3.81Å; L226-L230 HydrophobicContact CB-CD1 3.96Å; L226-L230 HydrophobicContact CD1-CD1 4.39Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 HydrophobicContact CG-CD1 4.49Å; P227-L230 HydrophobicContact CG-CD1 4.27Å; P227-L230 HydrophobicContact CG-CG 4.11Å; P227-L230 WeakPolarHBondContact O-CG 3.01Å; P227-L230 PolarHBondContact O-N 2.91Å; V228-L230 PolarHBondContact O-N 3.37Å; L230-L251 HydrophobicContact CB-CD2 4.38Å; L230-L251 HydrophobicContact CD1-CD2 4.18Å; L230-N253 CarbonylContact O-C 3.59Å; L230-N253 VanDerWaalsContact O-C 3.29Å; L230-L254 HydrophobicContact CB-CD1 4.15Å; L230-L254 PolarHBondContact O-N 2.94Å
231	R	97.8	Very high	95.4	Very high	127 Å²	127	39.9 Å²	39.9	48%	0.479	18%	0.181	S	C	.	.	S	Bend	trans	-113.8	-28.3	172.9	-60.1	-171	-176.3	-160	8.5	111.9	T210 S229 E255 I256	T210-R231 WeakPolarHBondContact O-CA 3.48Å; T210-R231 PolarHBondContact O-N 3.45Å; S229-R231 PolarHBondContact O-N 3.36Å; R231-E255 HydrophobicContact CB-CG 4.35Å; R231-E255 IonicContact NH1-OE1 3.99Å; R231-E255 PolarHBondContact NH1-OE1 3.22Å; R231-E255 WeakPolarHBondContact O-CA 2.97Å; R231-E255 PolarHBondContact O-N 3.44Å; R231-I256 PolarHBondContact O-N 2.85Å
232	Q	97.8	Very high	95.6	Very high	60 Å²	60	43.4 Å²	43.4	28%	0.28	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.1	-178.1	-56.9	-177.4	21	0	0	109.7	T210 L211 L212 Y234 I256	T210-Q232 PolarHBondContact O-N 3.42Å; L211-Q232 WeakPolarHBondContact CA-O 3.28Å; L211-Q232 HydrophobicContact CB-CB 4.25Å; L211-Q232 HydrophobicContact CD1-CB 4.38Å; L211-Q232 VanDerWaalsContact CD1-OE1 3.22Å; L211-Q232 HydrophobicContact CG-CB 3.94Å; L212-Q232 PolarHBondContact N-O 3Å; Q232-Y234 HydrophobicContact CB-CE2 3.98Å; Q232-Y234 PolarHBondContact OE1-OH 2.87Å; Q232-Y234 VanDerWaalsContact OE1-OH 3.08Å; Q232-I256 WeakPolarHBondContact CA-O 3.29Å; Q232-I256 HydrophobicContact CB-CB 4.33Å; Q232-I256 HydrophobicContact CG-CB 4.08Å; Q232-I256 HydrophobicContact CG-CD1 4.05Å; Q232-I256 HydrophobicContact CG-CG1 4.13Å
233	L	97.8	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.2	180	-179.4	59.9	0	0	0	110.2	L212 L226 L235 F248 L251 L254 I256 L257 D258	L212-L233 HydrophobicContact CB-CD1 4.2Å; L212-L233 HydrophobicContact CD2-CD1 4.19Å; L212-L233 HydrophobicContact CG-CD1 4.31Å; L226-L233 HydrophobicContact CD1-CD1 4.24Å; L226-L233 HydrophobicContact CD1-CD2 3.8Å; L233-L235 HydrophobicContact CD1-CD1 4.33Å; L233-L235 HydrophobicContact CD1-CD2 4.37Å; L233-L235 HydrophobicContact CD1-CG 4.08Å; L233-L235 HydrophobicContact CD2-CD1 3.83Å; L233-L235 HydrophobicContact CD2-CG 4.42Å; L233-L235 HydrophobicContact CG-CD1 3.95Å; L233-L235 HydrophobicContact CG-CG 4Å; L233-F248 HydrophobicContact CD2-CD1 4.43Å; L233-F248 HydrophobicContact CD2-CE1 3.99Å; L233-L251 HydrophobicContact CD2-CD1 3.87Å; L233-L254 HydrophobicContact CB-CD1 3.82Å; L233-L254 HydrophobicContact CB-CD2 4.4Å; L233-I256 PolarHBondContact N-O 3.4Å; L233-L257 HydrophobicContact CB-CD1 4.22Å; L233-L257 HydrophobicContact CD2-CD1 4.07Å; L233-L257 HydrophobicContact CG-CD1 4.23Å; L233-D258 PolarHBondContact O-N 3.18Å
234	Y	97.6	Very high	95.7	Very high	15 Å²	15	44.8 Å²	44.8	6%	0.059	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.3	179.2	-56.3	-79.2	0	0	0	110.6	L211 L212 L214 K215 Q232 Y236 I256 D258	L211-Y234 HydrophobicContact CD1-CE2 4.21Å; L211-Y234 HydrophobicContact CD2-CD2 4.29Å; L211-Y234 HydrophobicContact CD2-CE2 4.22Å; L211-Y234 HydrophobicContact CG-CE2 4.07Å; L212-Y234 PolarHBondContact O-N 3.05Å; L214-Y234 CarbonylContact C-O 3.58Å; L214-Y234 PolarHBondContact N-O 2.94Å; K215-Y234 PolarHBondContact N-O 2.76Å; Q232-Y234 HydrophobicContact CB-CE2 3.98Å; Q232-Y234 PolarHBondContact OE1-OH 2.87Å; Q232-Y234 VanDerWaalsContact OE1-OH 3.08Å; Y234-Y236 HydrophobicContact CD1-CD1 4.29Å; Y234-Y236 HydrophobicContact CD1-CE1 4.01Å; Y234-Y236 HydrophobicContact CG-CE1 4.28Å; Y234-I256 HydrophobicContact CE1-CG2 4.01Å; Y234-D258 HydrophobicContact CD1-CB 3.72Å; Y234-D258 HydrophobicContact CE1-CB 4.35Å
235	L	97.3	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.203	C	C	.	.			trans	-122	15.4	-178.8	-68.2	169.8	0	0	0	112	L214 L219 I222 L233 N238 I240 F248 D258 I259 N262	L214-L235 HydrophobicContact CB-CD2 4.05Å; L214-L235 HydrophobicContact CD1-CD2 4.14Å; L219-L235 HydrophobicContact CD1-CD2 4.39Å; I222-L235 HydrophobicContact CG1-CD1 4.18Å; I222-L235 HydrophobicContact CG2-CD1 4.1Å; L233-L235 HydrophobicContact CD1-CD1 4.33Å; L233-L235 HydrophobicContact CD1-CD2 4.37Å; L233-L235 HydrophobicContact CD1-CG 4.08Å; L233-L235 HydrophobicContact CD2-CD1 3.83Å; L233-L235 HydrophobicContact CD2-CG 4.42Å; L233-L235 HydrophobicContact CG-CD1 3.95Å; L233-L235 HydrophobicContact CG-CG 4Å; L235-N238 PolarHBondContact O-ND2 2.97Å; L235-I240 HydrophobicContact CB-CD1 4.34Å; L235-F248 HydrophobicContact CD1-CE1 4.25Å; L235-F248 HydrophobicContact CD1-CZ 4.47Å; L235-D258 CarbonylContact C-O 3.17Å; L235-D258 WeakPolarHBondContact CA-O 3.45Å; L235-D258 PolarHBondContact N-O 2.78Å; L235-I259 HydrophobicContact CB-CG2 3.96Å; L235-I259 HydrophobicContact CD1-CG2 4.16Å; L235-N262 PolarHBondContact O-ND2 2.98Å; L235-N262 VanDerWaalsContact O-ND2 3.14Å
236	Y	96.5	Very high	95.9	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.035	21%	0.205	C	C	.	.			trans	-73.4	157.6	-173.7	66.5	-91.1	0	0	0	113.9	K215 S216 Y234 N238 D258 S260 D479	K215-Y236 CarbonylContact C-O 3.51Å; K215-Y236 VanDerWaalsContact CA-O 3.22Å; K215-Y236 WeakPolarHBondContact CA-O 3.47Å; K215-Y236 HydrophobicContact CB-CD1 3.91Å; K215-Y236 HydrophobicContact CB-CD2 4.03Å; K215-Y236 HydrophobicContact CB-CE1 3.68Å; K215-Y236 HydrophobicContact CB-CE2 3.79Å; K215-Y236 HydrophobicContact CB-CG 4.1Å; K215-Y236 HydrophobicContact CD-CE1 3.85Å; K215-Y236 HydrophobicContact CD-CE2 3.85Å; K215-Y236 WeakPolarHBondContact CD-OH 2.94Å; K215-Y236 HydrophobicContact CG-CE1 4.37Å; K215-Y236 HydrophobicContact CG-CE2 4.37Å; S216-Y236 PolarHBondContact N-O 3.02Å; Y234-Y236 HydrophobicContact CD1-CD1 4.29Å; Y234-Y236 HydrophobicContact CD1-CE1 4.01Å; Y234-Y236 HydrophobicContact CG-CE1 4.28Å; Y236-N238 VanDerWaalsContact C-N 3.31Å; Y236-N238 PolarHBondContact O-N 3.16Å; Y236-N238 PolarHBondContact O-ND2 2.83Å; Y236-D258 WeakPolarHBondContact CB-OD1 3.3Å; Y236-D258 HydrophobicContact CD1-CB 4.1Å; Y236-D258 PolarHBondContact N-O 2.95Å; Y236-S260 CarbonylContact C-O 3.55Å; Y236-S260 WeakPolarHBondContact CA-O 3.34Å; Y236-S260 WeakPolarHBondContact CB-O 3.17Å; Y236-D479 HydrophobicContact CE2-CB 4.39Å; Y236-D479 PolarHBondContact OH-OD1 3.46Å
237	N	96	Very high	95.8	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.107	21%	0.209	C	C	.	.	S	Bend	trans	55.6	40.9	-177.1	-61.5	-22.9	0	0	0	113.7	S216 S260 Y478	S216-N237 VanDerWaalsContact CA-O 3.32Å; S216-N237 WeakPolarHBondContact CA-O 3.13Å; N237-S260 PolarHBondContact N-O 3.33Å; N237-Y478 HydrophobicContact CB-CE1 4.36Å; N237-Y478 HydrophobicContact CB-CE2 4.11Å; N237-Y478 PolarHBondContact ND2-O 3.06Å
238	N	96.1	Very high	95.8	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.059	21%	0.208	C	C	.	.	S	Bend	trans	-106.2	-163.2	170.4	-76.7	-62.8	0	0	0	109.9	L214 N217 N218 L219 L235 Y236 I240 N262	L214-N238 PolarHBondContact O-ND2 2.83Å; N217-N238 WeakPolarHBondContact CA-OD1 3.14Å; N217-N238 PolarHBondContact N-OD1 3.18Å; N218-N238 PolarHBondContact N-OD1 3Å; L219-N238 HydrophobicContact CB-CB 3.97Å; L219-N238 PolarHBondContact N-OD1 2.8Å; L235-N238 PolarHBondContact O-ND2 2.97Å; Y236-N238 VanDerWaalsContact C-N 3.31Å; Y236-N238 PolarHBondContact O-N 3.16Å; Y236-N238 PolarHBondContact O-ND2 2.83Å; N238-I240 HydrophobicContact CB-CD1 4.31Å; N238-I240 HydrophobicContact CB-CG1 4.23Å; N238-N262 WeakPolarHBondContact CA-OD1 3.48Å; N238-N262 WeakPolarHBondContact CB-OD1 3.31Å; N238-N262 PolarHBondContact N-OD1 3.21Å; N238-N262 WeakPolarHBondContact O-CA 3.4Å; N238-N262 PolarHBondContact O-OD1 2.95Å
239	N	94.5	Very high	95.7	Very high	59 Å²	59	43 Å²	43	32%	0.316	21%	0.206	S	C	.	.			trans	-120.8	32.9	-178.4	-164.1	43.5	0	0	0	111.1	L219	L219-N239 CarbonylContact O-C 3.21Å; L219-N239 VanDerWaalsContact O-CA 3.29Å; L219-N239 WeakPolarHBondContact O-CA 3.42Å; L219-N239 PolarHBondContact O-N 2.81Å
240	I	95.8	Very high	95.4	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	22%	0.221	C	C	.	.			trans	-74.7	126.9	-179.5	-57.4	166.4	0	0	0	108.7	L219 I222 L235 N238 E242 N262 L282	L219-I240 PolarHBondContact O-N 3Å; I222-I240 HydrophobicContact CG1-CD1 3.96Å; I222-I240 HydrophobicContact CG1-CG2 4.22Å; L235-I240 HydrophobicContact CB-CD1 4.34Å; N238-I240 HydrophobicContact CB-CD1 4.31Å; N238-I240 HydrophobicContact CB-CG1 4.23Å; I240-E242 WeakPolarHBondContact CG2-O 3.21Å; I240-N262 HydrophobicContact CB-CB 4.23Å; I240-N262 VanDerWaalsContact CB-OD1 3.28Å; I240-N262 WeakPolarHBondContact CB-OD1 3.13Å; I240-N262 WeakPolarHBondContact CG1-OD1 3.25Å; I240-N262 PolarHBondContact N-OD1 3.48Å; I240-N262 VanDerWaalsContact N-OD1 3.1Å; I240-N262 WeakPolarHBondContact O-CB 3.28Å; I240-L282 VanDerWaalsContact O-CD1 3.28Å; I240-L282 WeakPolarHBondContact O-CD1 3.48Å
241	Q	95.8	Very high	95.2	Very high	90 Å²	90	46.2 Å²	46.2	42%	0.421	22%	0.222	S	C	.	.			trans	-103.6	-22.4	-175.8	-61.2	-178.4	20	0	0	113.7	K283	Q241-K283 PolarHBondContact O-N 3.28Å; Q241-K283 VanDerWaalsContact O-N 3.12Å
242	E	96.4	Very high	95.1	Very high	126 Å²	126	42.8 Å²	42.8	59%	0.589	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141	141.2	-175	-174.7	167.9	-175.9	0	0	111.1	I240 K283	I240-E242 WeakPolarHBondContact CG2-O 3.21Å; E242-K283 CarbonylContact C-O 3.54Å; E242-K283 WeakPolarHBondContact CA-O 3.41Å; E242-K283 HydrophobicContact CB-CB 4.46Å; E242-K283 HydrophobicContact CG-CB 4.31Å
243	V	97	Very high	95	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	111.5	173	-178	0	0	0	0	108	I222 D247 F248 I259 L282 K283 I284 S285 A288	I222-V243 HydrophobicContact CD1-CB 4.46Å; I222-V243 HydrophobicContact CD1-CG1 4.12Å; I222-V243 HydrophobicContact CD1-CG2 4.03Å; V243-D247 WeakPolarHBondContact CA-OD2 3.42Å; V243-F248 HydrophobicContact CG1-CD2 3.99Å; V243-F248 HydrophobicContact CG1-CE2 3.45Å; V243-F248 VanDerWaalsContact CG1-CE2 3.45Å; V243-F248 HydrophobicContact CG1-CZ 4.23Å; V243-I259 HydrophobicContact CG2-CD1 4.41Å; V243-L282 HydrophobicContact CG2-CD1 4.3Å; V243-L282 HydrophobicContact CG2-CD2 4.41Å; V243-L282 HydrophobicContact CG2-CG 4.5Å; V243-K283 PolarHBondContact N-O 2.82Å; V243-I284 HydrophobicContact CB-CG1 4.4Å; V243-I284 HydrophobicContact CB-CG2 4.41Å; V243-I284 HydrophobicContact CG2-CG1 4.38Å; V243-S285 PolarHBondContact O-N 2.99Å; V243-A288 HydrophobicContact CG1-CB 4Å
244	S	95.4	Very high	95	Very high	37 Å²	37	42.1 Å²	42.1	26%	0.259	21%	0.213	S	C	.	.			trans	-88.4	170.6	-177.1	84.1	0	0	0	0	112.7	E246 D247	S244-E246 PolarHBondContact O-N 3.23Å; S244-E246 PolarHBondContact OG-N 2.61Å; S244-D247 PolarHBondContact N-OD2 3.06Å; S244-D247 PolarHBondContact OG-N 3.44Å; S244-D247 PolarHBondContact OG-OD1 2.81Å; S244-D247 PolarHBondContact OG-OD2 3.28Å
245	D	92.3	Very high	95	Very high	76 Å²	76	43.7 Å²	43.7	41%	0.406	22%	0.221	S	C	.	.	S	Bend	trans	-69.4	-17.8	174.8	-71.4	-15.1	0	0	0	113.1	S285 G287 A288	D245-S285 VanDerWaalsContact CG-OG 3.24Å; D245-S285 WeakPolarHBondContact OD1-CB 3.19Å; D245-S285 PolarHBondContact OD1-OG 2.98Å; D245-S285 PolarHBondContact OD2-OG 3.46Å; D245-G287 WeakPolarHBondContact OD1-CA 3.42Å; D245-G287 PolarHBondContact OD1-N 3.23Å; D245-G287 VanDerWaalsContact OD1-N 3.13Å; D245-A288 PolarHBondContact OD1-N 3.04Å
246	E	91.3	Very high	95	Very high	121 Å²	121	45.1 Å²	45.1	57%	0.565	23%	0.229	S	C	*	.	S	Bend	trans	-91.4	-23.6	-177.1	-64.2	-62.7	135.8	0	0	112.8	S244 F248 K249	S244-E246 PolarHBondContact O-N 3.23Å; S244-E246 PolarHBondContact OG-N 2.61Å; E246-F248 VanDerWaalsContact C-N 3.33Å; E246-F248 PolarHBondContact O-N 3.06Å; E246-K249 PolarHBondContact O-N 2.81Å; E246-K249 IonicContact OE1-NZ 2.71Å; E246-K249 PolarHBondContact OE1-NZ 3.37Å; E246-K249 WeakPolarHBondContact OE2-CD 3.44Å; E246-K249 IonicContact OE2-NZ 3.58Å; E246-K249 PolarHBondContact OE2-NZ 3.19Å
247	D	93.6	Very high	95	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.139	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-37.3	-170.6	-62.6	-20.1	0	0	0	113.3	I222 V243 S244	I222-D247 HydrophobicContact CB-CB 4.31Å; I222-D247 HydrophobicContact CD1-CB 3.85Å; I222-D247 HydrophobicContact CG2-CB 4.25Å; V243-D247 WeakPolarHBondContact CA-OD2 3.42Å; S244-D247 PolarHBondContact N-OD2 3.06Å; S244-D247 PolarHBondContact OG-N 3.44Å; S244-D247 PolarHBondContact OG-OD1 2.81Å; S244-D247 PolarHBondContact OG-OD2 3.28Å
248	F	94.8	Very high	95.1	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	6.4	-177.3	-56.4	-45.4	0	0	0	114.1	I222 L233 L235 V243 E246 N250 L251 L257 I259 F289 L292	I222-F248 HydrophobicContact CD1-CE1 3.92Å; I222-F248 HydrophobicContact CD1-CE2 4.21Å; I222-F248 HydrophobicContact CD1-CZ 3.52Å; I222-F248 HydrophobicContact CG2-CE1 4.01Å; L233-F248 HydrophobicContact CD2-CD1 4.43Å; L233-F248 HydrophobicContact CD2-CE1 3.99Å; L235-F248 HydrophobicContact CD1-CE1 4.25Å; L235-F248 HydrophobicContact CD1-CZ 4.47Å; V243-F248 HydrophobicContact CG1-CD2 3.99Å; V243-F248 HydrophobicContact CG1-CE2 3.45Å; V243-F248 VanDerWaalsContact CG1-CE2 3.45Å; V243-F248 HydrophobicContact CG1-CZ 4.23Å; E246-F248 VanDerWaalsContact C-N 3.33Å; E246-F248 PolarHBondContact O-N 3.06Å; F248-N250 PolarHBondContact O-N 2.83Å; F248-N250 VanDerWaalsContact O-N 3.11Å; F248-L251 HydrophobicContact CD1-CD1 3.93Å; F248-L251 PolarHBondContact O-N 3.39Å; F248-L257 HydrophobicContact CD2-CD2 4.23Å; F248-L257 HydrophobicContact CE1-CD1 4.18Å; F248-L257 HydrophobicContact CE2-CD2 3.85Å; F248-L257 HydrophobicContact CZ-CD1 4.02Å; F248-L257 HydrophobicContact CZ-CD2 4.09Å; F248-I259 HydrophobicContact CZ-CG2 4.26Å; F248-F289 HydrophobicContact CD2-CD1 4.28Å; F248-F289 HydrophobicContact CD2-CE1 4.22Å; F248-F289 HydrophobicContact CE2-CE1 4.08Å; F248-L292 HydrophobicContact CB-CD1 4.43Å; F248-L292 HydrophobicContact CB-CD2 4.17Å
249	K	91.1	Very high	95.2	Very high	92 Å²	92	43.4 Å²	43.4	40%	0.4	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.9	-170.7	-174.7	174.5	178	176.5	0	114.1	E246 M291	E246-K249 PolarHBondContact O-N 2.81Å; E246-K249 IonicContact OE1-NZ 2.71Å; E246-K249 PolarHBondContact OE1-NZ 3.37Å; E246-K249 WeakPolarHBondContact OE2-CD 3.44Å; E246-K249 IonicContact OE2-NZ 3.58Å; E246-K249 PolarHBondContact OE2-NZ 3.19Å; K249-M291 HydrophobicContact CG-CG 4.41Å; K249-M291 WeakPolarHBondContact O-CB 3.48Å; K249-M291 WeakPolarHBondContact O-CG 3.48Å
250	N	90.7	Very high	95.3	Very high	94 Å²	94	40.9 Å²	40.9	50%	0.503	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-8.9	-177	-65.1	-19.9	0	0	0	113.8	V228 F248 T252	V228-N250 HydrophobicContact CG2-CB 4.28Å; F248-N250 PolarHBondContact O-N 2.83Å; F248-N250 VanDerWaalsContact O-N 3.11Å; N250-T252 VanDerWaalsContact C-N 3.26Å; N250-T252 PolarHBondContact O-N 2.62Å
251	L	94.8	Very high	95.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.209	C	C	.	.			trans	-86.3	52.5	-171.4	-58.3	-175	0	0	0	113.1	L226 P227 L230 L233 F248 N253 L254 L292	L226-L251 HydrophobicContact CB-CD1 4.46Å; L226-L251 HydrophobicContact CB-CD2 3.89Å; L226-L251 HydrophobicContact CD1-CD1 4.18Å; P227-L251 WeakPolarHBondContact O-CD2 3.4Å; L230-L251 HydrophobicContact CB-CD2 4.38Å; L230-L251 HydrophobicContact CD1-CD2 4.18Å; L233-L251 HydrophobicContact CD2-CD1 3.87Å; F248-L251 HydrophobicContact CD1-CD1 3.93Å; F248-L251 PolarHBondContact O-N 3.39Å; L251-N253 PolarHBondContact O-N 2.85Å; L251-L254 HydrophobicContact CB-CB 4.34Å; L251-L254 HydrophobicContact CD1-CD2 4.46Å; L251-L254 WeakPolarHBondContact O-CB 3.48Å; L251-L254 PolarHBondContact O-N 2.78Å; L251-L292 HydrophobicContact CB-CD2 4.03Å; L251-L292 WeakPolarHBondContact O-CD2 3.01Å
252	T	94.2	Very high	95.3	Very high	55 Å²	55	36.8 Å²	36.8	34%	0.337	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16	-173.4	58.1	0	0	0	0	114.6	N250	N250-T252 VanDerWaalsContact C-N 3.26Å; N250-T252 PolarHBondContact O-N 2.62Å
253	N	96.3	Very high	95.3	Very high	47 Å²	47	30.9 Å²	30.9	25%	0.251	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2	177.8	-67.5	-52	0	0	0	114.4	V228 L230 L251 E255 K294	V228-N253 PolarHBondContact O-ND2 3.11Å; L230-N253 CarbonylContact O-C 3.59Å; L230-N253 VanDerWaalsContact O-C 3.29Å; L251-N253 PolarHBondContact O-N 2.85Å; N253-E255 PolarHBondContact O-N 2.87Å; N253-K294 PolarHBondContact OD1-NZ 3.11Å
254	L	97.4	Very high	95.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.			trans	-67.4	126.3	-173.6	-156.6	71.1	0	0	0	111.4	L230 L233 L251 L257 L292 K294 L295	L230-L254 HydrophobicContact CB-CD1 4.15Å; L230-L254 PolarHBondContact O-N 2.94Å; L233-L254 HydrophobicContact CB-CD1 3.82Å; L233-L254 HydrophobicContact CB-CD2 4.4Å; L251-L254 HydrophobicContact CB-CB 4.34Å; L251-L254 HydrophobicContact CD1-CD2 4.46Å; L251-L254 WeakPolarHBondContact O-CB 3.48Å; L251-L254 PolarHBondContact O-N 2.78Å; L254-L257 HydrophobicContact CD2-CB 3.85Å; L254-L257 HydrophobicContact CD2-CD1 4.1Å; L254-L257 HydrophobicContact CD2-CD2 4.45Å; L254-L257 HydrophobicContact CD2-CG 4.35Å; L254-L292 HydrophobicContact CB-CD2 4.09Å; L254-L292 HydrophobicContact CD2-CD1 4.35Å; L254-L292 HydrophobicContact CD2-CD2 4.13Å; L254-K294 CarbonylContact O-C 3.57Å; L254-L295 HydrophobicContact CD2-CD1 4.36Å; L254-L295 HydrophobicContact CG-CD1 4.36Å; L254-L295 VanDerWaalsContact O-CA 3.3Å; L254-L295 WeakPolarHBondContact O-CA 3.13Å; L254-L295 PolarHBondContact O-N 3.23Å; L254-L295 VanDerWaalsContact O-N 3.16Å
255	E	97.4	Very high	95.2	Very high	47 Å²	47	30.8 Å²	30.8	22%	0.22	16%	0.158	C	C	.	.			trans	-104.2	-34.3	177.7	-59.3	-171.4	-148.6	0	0	111.7	R231 N253 K296 T297	R231-E255 HydrophobicContact CB-CG 4.35Å; R231-E255 IonicContact NH1-OE1 3.99Å; R231-E255 PolarHBondContact NH1-OE1 3.22Å; R231-E255 WeakPolarHBondContact O-CA 2.97Å; R231-E255 PolarHBondContact O-N 3.44Å; N253-E255 PolarHBondContact O-N 2.87Å; E255-K296 WeakPolarHBondContact O-CA 2.91Å; E255-K296 PolarHBondContact O-N 3.02Å; E255-K296 IonicContact OE2-NZ 2.7Å; E255-K296 PolarHBondContact OE2-NZ 2.93Å; E255-T297 PolarHBondContact O-N 3.23Å
256	I	97.3	Very high	95.4	Very high	31 Å²	31	28.8 Å²	28.8	16%	0.159	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.4	179.6	-53.8	-176	0	0	0	109.7	R231 Q232 L233 Y234 T297	R231-I256 PolarHBondContact O-N 2.85Å; Q232-I256 WeakPolarHBondContact CA-O 3.29Å; Q232-I256 HydrophobicContact CB-CB 4.33Å; Q232-I256 HydrophobicContact CG-CB 4.08Å; Q232-I256 HydrophobicContact CG-CD1 4.05Å; Q232-I256 HydrophobicContact CG-CG1 4.13Å; L233-I256 PolarHBondContact N-O 3.4Å; Y234-I256 HydrophobicContact CE1-CG2 4.01Å; I256-T297 WeakPolarHBondContact CA-O 3.38Å; I256-T297 HydrophobicContact CG2-CG2 4.15Å
257	L	97.9	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.8	171	179.4	60.7	0	0	0	109.9	L233 F248 L254 I259 F289 L292 L295 T297 L298 R299	L233-L257 HydrophobicContact CB-CD1 4.22Å; L233-L257 HydrophobicContact CD2-CD1 4.07Å; L233-L257 HydrophobicContact CG-CD1 4.23Å; F248-L257 HydrophobicContact CD2-CD2 4.23Å; F248-L257 HydrophobicContact CE1-CD1 4.18Å; F248-L257 HydrophobicContact CE2-CD2 3.85Å; F248-L257 HydrophobicContact CZ-CD1 4.02Å; F248-L257 HydrophobicContact CZ-CD2 4.09Å; L254-L257 HydrophobicContact CD2-CB 3.85Å; L254-L257 HydrophobicContact CD2-CD1 4.1Å; L254-L257 HydrophobicContact CD2-CD2 4.45Å; L254-L257 HydrophobicContact CD2-CG 4.35Å; L257-I259 HydrophobicContact CD1-CG2 4.01Å; L257-I259 HydrophobicContact CG-CG2 4.4Å; L257-F289 HydrophobicContact CD2-CD1 4.18Å; L257-F289 HydrophobicContact CD2-CE1 3.83Å; L257-L292 HydrophobicContact CD2-CD1 3.91Å; L257-L295 HydrophobicContact CB-CD1 3.88Å; L257-T297 PolarHBondContact N-O 3.09Å; L257-L298 HydrophobicContact CB-CD1 4.17Å; L257-L298 HydrophobicContact CD2-CD1 4.05Å; L257-L298 HydrophobicContact CG-CD1 4.19Å; L257-L298 WeakPolarHBondContact O-CA 3.46Å; L257-R299 PolarHBondContact O-N 3.33Å
258	D	97.4	Very high	95.3	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.6	176	-162.9	-19.7	0	0	0	110.4	L233 Y234 L235 Y236 S260 R299	L233-D258 PolarHBondContact O-N 3.18Å; Y234-D258 HydrophobicContact CD1-CB 3.72Å; Y234-D258 HydrophobicContact CE1-CB 4.35Å; L235-D258 CarbonylContact C-O 3.17Å; L235-D258 WeakPolarHBondContact CA-O 3.45Å; L235-D258 PolarHBondContact N-O 2.78Å; Y236-D258 WeakPolarHBondContact CB-OD1 3.3Å; Y236-D258 HydrophobicContact CD1-CB 4.1Å; Y236-D258 PolarHBondContact N-O 2.95Å; D258-S260 WeakPolarHBondContact OD1-CB 3.22Å; D258-S260 PolarHBondContact OD1-N 2.78Å; D258-S260 PolarHBondContact OD1-OG 2.9Å; D258-R299 HydrophobicContact CB-CB 4.25Å; D258-R299 WeakPolarHBondContact OD1-CB 3.2Å; D258-R299 WeakPolarHBondContact OD2-CD 3.34Å; D258-R299 IonicContact OD2-NH1 2.7Å; D258-R299 PolarHBondContact OD2-NH1 2.69Å
259	I	97.2	Very high	95.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.175	C	C	.	.			trans	-120.1	27.3	177.6	48.7	162.4	0	0	0	110.6	L235 V243 F248 L257 N262 L282 I284 F289 R299 L300 N303	L235-I259 HydrophobicContact CB-CG2 3.96Å; L235-I259 HydrophobicContact CD1-CG2 4.16Å; V243-I259 HydrophobicContact CG2-CD1 4.41Å; F248-I259 HydrophobicContact CZ-CG2 4.26Å; L257-I259 HydrophobicContact CD1-CG2 4.01Å; L257-I259 HydrophobicContact CG-CG2 4.4Å; I259-N262 PolarHBondContact O-ND2 3.29Å; I259-L282 HydrophobicContact CD1-CD2 4.1Å; I259-I284 HydrophobicContact CD1-CD1 4.32Å; I259-F289 HydrophobicContact CD1-CZ 4.26Å; I259-R299 PolarHBondContact N-O 3.42Å; I259-L300 HydrophobicContact CD1-CD2 3.49Å; I259-L300 VanDerWaalsContact CD1-CD2 3.49Å; I259-L300 HydrophobicContact CG1-CD2 3.68Å; I259-N303 PolarHBondContact O-ND2 3.32Å; I259-N303 PolarHBondContact O-OD1 3.25Å
260	S	96.7	Very high	95.1	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.042	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	153.7	-179.7	-53.7	0	0	0	0	112.6	Y236 N237 D258 N262 R299 H301	Y236-S260 CarbonylContact C-O 3.55Å; Y236-S260 WeakPolarHBondContact CA-O 3.34Å; Y236-S260 WeakPolarHBondContact CB-O 3.17Å; N237-S260 PolarHBondContact N-O 3.33Å; D258-S260 WeakPolarHBondContact OD1-CB 3.22Å; D258-S260 PolarHBondContact OD1-N 2.78Å; D258-S260 PolarHBondContact OD1-OG 2.9Å; S260-N262 VanDerWaalsContact C-N 3.3Å; S260-N262 PolarHBondContact O-N 3.08Å; S260-R299 WeakPolarHBondContact OG-CB 3.36Å; S260-R299 PolarHBondContact OG-O 3.08Å; S260-H301 CarbonylContact C-O 3.26Å; S260-H301 WeakPolarHBondContact CA-O 3.1Å; S260-H301 WeakPolarHBondContact CB-O 3.46Å; S260-H301 PolarHBondContact OG-N 3.4Å
261	G	95.7	Very high	95.1	Very high	6 Å²	6	31 Å²	31	6%	0.062	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	20.4	168.4	0	0	0	0	0	115.9	H301 S302 N303	G261-H301 PolarHBondContact N-O 2.93Å; G261-S302 WeakPolarHBondContact CA-O 3.12Å; G261-S302 PolarHBondContact N-O 3.01Å; G261-N303 PolarHBondContact N-OD1 3.21Å
262	N	96.2	Very high	95.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-86.6	-34.1	179.4	-87.4	-68.9	0	0	0	113.1	L235 N238 I240 I259 S260 L282 N303	L235-N262 PolarHBondContact O-ND2 2.98Å; L235-N262 VanDerWaalsContact O-ND2 3.14Å; N238-N262 WeakPolarHBondContact CA-OD1 3.48Å; N238-N262 WeakPolarHBondContact CB-OD1 3.31Å; N238-N262 PolarHBondContact N-OD1 3.21Å; N238-N262 WeakPolarHBondContact O-CA 3.4Å; N238-N262 PolarHBondContact O-OD1 2.95Å; I240-N262 HydrophobicContact CB-CB 4.23Å; I240-N262 VanDerWaalsContact CB-OD1 3.28Å; I240-N262 WeakPolarHBondContact CB-OD1 3.13Å; I240-N262 WeakPolarHBondContact CG1-OD1 3.25Å; I240-N262 PolarHBondContact N-OD1 3.48Å; I240-N262 VanDerWaalsContact N-OD1 3.1Å; I240-N262 WeakPolarHBondContact O-CB 3.28Å; I259-N262 PolarHBondContact O-ND2 3.29Å; S260-N262 VanDerWaalsContact C-N 3.3Å; S260-N262 PolarHBondContact O-N 3.08Å; N262-L282 HydrophobicContact CB-CD1 4.39Å; N262-L282 HydrophobicContact CB-CD2 4.5Å; N262-N303 PolarHBondContact N-OD1 2.74Å
263	C	96.4	Very high	95.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.191	C	C	.	.	S	Bend	trans	-123.5	74.7	165.6	-73.6	0	0	0	0	109.3	C276 L282 N303 S304	C263-C276 WeakPolarHBondContact CA-SG 3.48Å; C263-C276 HydrophobicContact CB-CB 3.77Å; C263-C276 WeakPolarHBondContact CB-SG 3.35Å; C263-C276 WeakPolarHBondContact SG-CB 3.4Å; C263-C276 CovalentContact SG-SG 2.04Å; C263-C276 PolarHBondContact SG-SG 2.93Å; C263-L282 HydrophobicContact CB-CB 4.22Å; C263-N303 CarbonylContact O-C 3.59Å; C263-N303 WeakPolarHBondContact O-CA 3.47Å; C263-S304 WeakPolarHBondContact O-CB 3.34Å; C263-S304 PolarHBondContact O-N 2.93Å; C263-S304 PolarHBondContact O-OG 3.07Å
264	P	96.1	Very high	95	Very high	18 Å²	18	37.2 Å²	37.2	12%	0.117	21%	0.211	C	C	.	.			trans	-71	144.2	-162.3	28.7	-36.2	0	0	0	113.8	C266 T274 S302 S304	P264-C266 PolarHBondContact O-N 2.89Å; P264-T274 WeakPolarHBondContact CG-O 3.31Å; P264-S302 VanDerWaalsContact CA-O 3.29Å; P264-S302 WeakPolarHBondContact CA-O 3.33Å; P264-S302 WeakPolarHBondContact CA-OG 3.42Å; P264-S304 PolarHBondContact O-OG 3.17Å
265	R	95.4	Very high	94.9	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.068	23%	0.226	C	C	.	.			trans	-77.1	101.9	166	176.2	177.5	173.4	151.6	6.2	108.6	Y267 S302 S304 S326 N327 F328 F352 Y354	R265-Y267 PolarHBondContact O-N 3.01Å; R265-S302 PolarHBondContact N-OG 3.18Å; R265-S304 PolarHBondContact N-OG 3.41Å; R265-S326 WeakPolarHBondContact CB-O 3.26Å; R265-S326 WeakPolarHBondContact CD-O 3.25Å; R265-N327 PolarHBondContact NH1-O 3.06Å; R265-F328 HydrophobicContact CB-CE2 4.39Å; R265-F328 HydrophobicContact CB-CZ 4.37Å; R265-F328 HydrophobicContact CG-CE1 4.2Å; R265-F328 HydrophobicContact CG-CE2 4.2Å; R265-F328 HydrophobicContact CG-CZ 3.71Å; R265-F352 PolarHBondContact NH1-O 3.03Å; R265-F352 VanDerWaalsContact NH1-O 3.09Å; R265-Y354 VanDerWaalsContact CZ-O 3.31Å; R265-Y354 PolarHBondContact NH1-O 3.31Å; R265-Y354 PolarHBondContact NH2-O 2.96Å
266	C	94.8	Very high	94.7	Very high	34 Å²	34	37.4 Å²	37.4	23%	0.23	22%	0.216	C	C	.	.			trans	-85.9	-4.3	-171.3	-63.9	0	0	0	0	116.2	P264 N268 A269 C273	P264-C266 PolarHBondContact O-N 2.89Å; C266-N268 PolarHBondContact O-N 3.47Å; C266-A269 WeakPolarHBondContact O-CB 3.34Å; C266-A269 PolarHBondContact O-N 3.03Å; C266-A269 VanDerWaalsContact O-N 3.09Å; C266-C273 WeakPolarHBondContact CA-SG 3.48Å; C266-C273 HydrophobicContact CB-CB 3.59Å; C266-C273 WeakPolarHBondContact CB-SG 3.45Å; C266-C273 WeakPolarHBondContact SG-CB 3.32Å; C266-C273 CovalentContact SG-SG 2.04Å; C266-C273 PolarHBondContact SG-SG 3.38Å
267	Y	92.9	Very high	94.6	Very high	116 Å²	116	39.5 Å²	39.5	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	122.7	-177.9	-175	-93.3	0	0	0	111.3	R265 A269 Y354 L356	R265-Y267 PolarHBondContact O-N 3.01Å; Y267-A269 PolarHBondContact O-N 3.2Å; Y267-Y354 HydrophobicContact CD1-CE2 4.44Å; Y267-Y354 WeakPolarHBondContact CD1-OH 3.21Å; Y267-Y354 HydrophobicContact CE1-CE2 4.31Å; Y267-Y354 WeakPolarHBondContact CE1-OH 3.39Å; Y267-L356 HydrophobicContact CD1-CD2 3.66Å; Y267-L356 HydrophobicContact CD2-CD1 4.21Å; Y267-L356 HydrophobicContact CD2-CD2 3.76Å; Y267-L356 HydrophobicContact CE1-CD2 3.9Å; Y267-L356 HydrophobicContact CE2-CD2 4.02Å; Y267-L356 HydrophobicContact CG-CD2 3.56Å
268	N	90	Very high	94.3	Very high	109 Å²	109	47.4 Å²	47.4	58%	0.583	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	20.9	-173.6	-65.7	-19.3	0	0	0	115.5	C266 P270	C266-N268 PolarHBondContact O-N 3.47Å; N268-P270 WeakPolarHBondContact O-CD 3.16Å
269	A	90.9	Very high	93.9	Very high	26 Å²	26	53 Å²	53	22%	0.215	31%	0.305	C	S	.	.			trans	-62.6	126.6	173.2	0	0	0	0	0	110.3	C266 Y267 F271 C273	C266-A269 WeakPolarHBondContact O-CB 3.34Å; C266-A269 PolarHBondContact O-N 3.03Å; C266-A269 VanDerWaalsContact O-N 3.09Å; Y267-A269 PolarHBondContact O-N 3.2Å; A269-F271 HydrophobicContact CB-CD2 4.34Å; A269-F271 HydrophobicContact CB-CE1 4.3Å; A269-F271 HydrophobicContact CB-CE2 4.09Å; A269-F271 HydrophobicContact CB-CZ 4.08Å; A269-F271 PolarHBondContact O-N 2.79Å; A269-F271 VanDerWaalsContact O-N 3.11Å; A269-C273 HydrophobicContact CB-CB 3.85Å
270	P	91.1	Very high	93.8	Very high	89 Å²	89	54.6 Å²	54.6	58%	0.578	32%	0.317	S	S	*	.	S	Bend	trans	-80.7	17.8	179.7	34.3	-36.2	0	0	0	112.7	N268 F476	N268-P270 WeakPolarHBondContact O-CD 3.16Å; P270-F476 WeakPolarHBondContact CD-O 3.27Å; P270-F476 HydrophobicContact CG-CB 4.1Å; P270-F476 WeakPolarHBondContact CG-O 3.32Å
271	F	91.3	Very high	93.8	Very high	40 Å²	40	56.4 Å²	56.4	18%	0.175	33%	0.329	C	S	.	.	S	Bend	trans	-141.5	157	-178.4	51.7	-97.8	0	0	0	109.6	Y188 A269 C273 F476 Y478	Y188-F271 HydrophobicContact CE1-CB 4.21Å; Y188-F271 HydrophobicContact CE2-CB 4.37Å; A269-F271 HydrophobicContact CB-CD2 4.34Å; A269-F271 HydrophobicContact CB-CE1 4.3Å; A269-F271 HydrophobicContact CB-CE2 4.09Å; A269-F271 HydrophobicContact CB-CZ 4.08Å; A269-F271 PolarHBondContact O-N 2.79Å; A269-F271 VanDerWaalsContact O-N 3.11Å; F271-C273 HydrophobicContact CD2-CB 4.1Å; F271-C273 HydrophobicContact CE2-CB 3.95Å; F271-C273 PolarHBondContact O-N 3.12Å; F271-C273 VanDerWaalsContact O-N 3.12Å; F271-F476 VanDerWaalsContact CE1-O 3.3Å; F271-F476 WeakPolarHBondContact CE1-O 3.27Å; F271-Y478 AromaticContact CD2-CD2 3.76Å; F271-Y478 HydrophobicContact CD2-CD2 3.76Å; F271-Y478 AromaticContact CE2-CD2 3.79Å; F271-Y478 HydrophobicContact CE2-CD2 3.79Å; F271-Y478 HydrophobicContact CG-CD2 4.16Å; F271-Y478 HydrophobicContact CZ-CD2 4.21Å
272	P	94.4	Very high	93.9	Very high	93 Å²	93	56.3 Å²	56.3	60%	0.604	33%	0.327	S	S	*	.			trans	-56.3	119.1	172.5	-22.6	33.8	0	0	0	110.2	Y188	Y188-P272 HydrophobicContact CD2-CG 3.88Å; Y188-P272 HydrophobicContact CG-CG 4.25Å
273	C	94.6	Very high	93.9	Very high	32 Å²	32	62.6 Å²	62.6	22%	0.216	35%	0.354	C	S	.	.			trans	-132.7	130.3	-173.3	-175.6	0	0	0	0	109.3	C266 A269 F271	C266-C273 WeakPolarHBondContact CA-SG 3.48Å; C266-C273 HydrophobicContact CB-CB 3.59Å; C266-C273 WeakPolarHBondContact CB-SG 3.45Å; C266-C273 WeakPolarHBondContact SG-CB 3.32Å; C266-C273 CovalentContact SG-SG 2.04Å; C266-C273 PolarHBondContact SG-SG 3.38Å; A269-C273 HydrophobicContact CB-CB 3.85Å; F271-C273 HydrophobicContact CD2-CB 4.1Å; F271-C273 HydrophobicContact CE2-CB 3.95Å; F271-C273 PolarHBondContact O-N 3.12Å; F271-C273 VanDerWaalsContact O-N 3.12Å
274	T	93.4	Very high	94	Very high	110 Å²	110	63.3 Å²	63.3	68%	0.675	36%	0.358	S	S	*	.			trans	-119.4	113.3	179.3	-54.4	0	0	0	0	108	P264	P264-T274 WeakPolarHBondContact CG-O 3.31Å
275	P	95.2	Very high	94	Very high	47 Å²	47	64.4 Å²	64.4	31%	0.305	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72.9	161.9	175.9	31.8	-33.9	0	0	0	110.4
276	C	94.7	Very high	93.9	Very high	4 Å²	4	69.7 Å²	69.7	3%	0.027	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61.7	155.8	172.1	-77	0	0	0	0	111.6	C263 N278 N279	C263-C276 WeakPolarHBondContact CA-SG 3.48Å; C263-C276 HydrophobicContact CB-CB 3.77Å; C263-C276 WeakPolarHBondContact CB-SG 3.35Å; C263-C276 WeakPolarHBondContact SG-CB 3.4Å; C263-C276 CovalentContact SG-SG 2.04Å; C263-C276 PolarHBondContact SG-SG 2.93Å; C276-N278 PolarHBondContact O-N 2.77Å; C276-N279 WeakPolarHBondContact O-CA 3.43Å; C276-N279 PolarHBondContact O-N 3.44Å
277	P	94	Very high	93.9	Very high	76 Å²	76	69 Å²	69	49%	0.494	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-51.3	138.3	-178.6	-27	34.7	0	0	0	112.4	N279 A280	P277-N279 PolarHBondContact O-N 2.97Å; P277-A280 WeakPolarHBondContact O-CB 3.44Å; P277-A280 PolarHBondContact O-N 2.92Å; P277-A280 VanDerWaalsContact O-N 3.1Å
278	N	91.5	Very high	94	Very high	166 Å²	166	63.6 Å²	63.6	89%	0.888	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	57.4	22.7	-176.3	-56.9	-34.9	0	0	0	115	C276 A280	C276-N278 PolarHBondContact O-N 2.77Å; N278-A280 PolarHBondContact O-N 3.39Å
279	N	89.9	Confident	94.3	Very high	121 Å²	121	58.5 Å²	58.5	65%	0.647	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	54.4	31.6	-172.4	-56.1	-50.7	0	0	0	112.6	C276 P277	C276-N279 WeakPolarHBondContact O-CA 3.43Å; C276-N279 PolarHBondContact O-N 3.44Å; P277-N279 PolarHBondContact O-N 2.97Å
280	A	95	Very high	94.4	Very high	33 Å²	33	63.1 Å²	63.1	27%	0.273	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-65	143.4	178.4	0	0	0	0	0	111	P277 N278	P277-A280 WeakPolarHBondContact O-CB 3.44Å; P277-A280 PolarHBondContact O-N 2.92Å; P277-A280 VanDerWaalsContact O-N 3.1Å; N278-A280 PolarHBondContact O-N 3.39Å
281	P	96.7	Very high	94.6	Very high	44 Å²	44	62.6 Å²	62.6	29%	0.286	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-66	160.8	169	29.6	-35.1	0	0	0	110.8	K283 S304 L305	P281-K283 PolarHBondContact O-N 3.14Å; P281-S304 WeakPolarHBondContact CB-O 3.45Å; P281-L305 HydrophobicContact CB-CD2 4.4Å
282	L	97.2	Very high	94.8	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.026	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-56.7	121.3	163.7	179.1	63.1	0	0	0	109.3	I240 V243 I259 N262 C263 I284 N303 L305	I240-L282 VanDerWaalsContact O-CD1 3.28Å; I240-L282 WeakPolarHBondContact O-CD1 3.48Å; V243-L282 HydrophobicContact CG2-CD1 4.3Å; V243-L282 HydrophobicContact CG2-CD2 4.41Å; V243-L282 HydrophobicContact CG2-CG 4.5Å; I259-L282 HydrophobicContact CD1-CD2 4.1Å; N262-L282 HydrophobicContact CB-CD1 4.39Å; N262-L282 HydrophobicContact CB-CD2 4.5Å; C263-L282 HydrophobicContact CB-CB 4.22Å; L282-I284 HydrophobicContact CD2-CD1 4.08Å; L282-I284 HydrophobicContact CD2-CG1 4.11Å; L282-I284 HydrophobicContact CG-CD1 4.38Å; L282-I284 HydrophobicContact CG-CG1 3.96Å; L282-I284 PolarHBondContact O-N 3.5Å; L282-N303 HydrophobicContact CB-CB 4.02Å; L282-N303 HydrophobicContact CD2-CB 4.28Å; L282-N303 PolarHBondContact N-O 2.92Å; L282-N303 VanDerWaalsContact N-O 3.07Å; L282-L305 HydrophobicContact CB-CD2 4.48Å
283	K	96.9	Very high	94.7	Very high	132 Å²	132	59.7 Å²	59.7	57%	0.574	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	112.3	179.2	-67.1	-179.9	-176.5	174	0	109.4	Q241 E242 V243 P281	Q241-K283 PolarHBondContact O-N 3.28Å; Q241-K283 VanDerWaalsContact O-N 3.12Å; E242-K283 CarbonylContact C-O 3.54Å; E242-K283 WeakPolarHBondContact CA-O 3.41Å; E242-K283 HydrophobicContact CB-CB 4.46Å; E242-K283 HydrophobicContact CG-CB 4.31Å; V243-K283 PolarHBondContact N-O 2.82Å; P281-K283 PolarHBondContact O-N 3.14Å
284	I	97.2	Very high	94.8	Very high	16 Å²	16	63 Å²	63	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.9	177.9	-54	173.6	0	0	0	108.4	V243 I259 L282 A288 F289 L300 L305 W312	V243-I284 HydrophobicContact CB-CG1 4.4Å; V243-I284 HydrophobicContact CB-CG2 4.41Å; V243-I284 HydrophobicContact CG2-CG1 4.38Å; I259-I284 HydrophobicContact CD1-CD1 4.32Å; L282-I284 HydrophobicContact CD2-CD1 4.08Å; L282-I284 HydrophobicContact CD2-CG1 4.11Å; L282-I284 HydrophobicContact CG-CD1 4.38Å; L282-I284 HydrophobicContact CG-CG1 3.96Å; L282-I284 PolarHBondContact O-N 3.5Å; I284-A288 HydrophobicContact CG2-CB 3.8Å; I284-F289 HydrophobicContact CD1-CZ 4.31Å; I284-F289 HydrophobicContact CG2-CE2 3.9Å; I284-F289 HydrophobicContact CG2-CZ 3.76Å; I284-L300 HydrophobicContact CD1-CD2 3.78Å; I284-L305 HydrophobicContact CD1-CD2 4.49Å; I284-W312 HydrophobicContact CB-CZ2 3.79Å; I284-W312 HydrophobicContact CD1-CH2 4.31Å; I284-W312 HydrophobicContact CD1-CZ2 4.31Å; I284-W312 HydrophobicContact CG2-CZ2 4.2Å
285	S	96.4	Very high	95	Very high	42 Å²	42	57.8 Å²	57.8	29%	0.294	31%	0.309	S	S	.	.			trans	-61	152.4	176.8	-176.8	0	0	0	0	112	V243 D245 G287 A288 W312	V243-S285 PolarHBondContact O-N 2.99Å; D245-S285 VanDerWaalsContact CG-OG 3.24Å; D245-S285 WeakPolarHBondContact OD1-CB 3.19Å; D245-S285 PolarHBondContact OD1-OG 2.98Å; D245-S285 PolarHBondContact OD2-OG 3.46Å; S285-G287 PolarHBondContact O-N 2.99Å; S285-A288 WeakPolarHBondContact O-CB 3.22Å; S285-A288 PolarHBondContact O-N 2.92Å; S285-W312 PolarHBondContact O-NE1 3.15Å
286	K	94	Very high	95	Very high	128 Å²	128	59.4 Å²	59.4	56%	0.557	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.6	-179.9	-64.3	-171.7	176.2	-160.7	0	112.6	L309 E311	K286-L309 HydrophobicContact CG-CD1 4.1Å; K286-E311 IonicContact NZ-OE1 2.8Å
287	G	94.2	Very high	95.1	Very high	20 Å²	20	60.1 Å²	60.1	21%	0.206	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.2	-177.6	0	0	0	0	0	115	D245 S285 F289 K290	D245-G287 WeakPolarHBondContact OD1-CA 3.42Å; D245-G287 PolarHBondContact OD1-N 3.23Å; D245-G287 VanDerWaalsContact OD1-N 3.13Å; S285-G287 PolarHBondContact O-N 2.99Å; G287-F289 VanDerWaalsContact C-N 3.26Å; G287-F289 PolarHBondContact O-N 2.88Å; G287-F289 VanDerWaalsContact O-N 3.1Å; G287-K290 WeakPolarHBondContact O-CB 3.34Å; G287-K290 PolarHBondContact O-N 2.86Å
288	A	95.1	Very high	95.3	Very high	3 Å²	3	56.5 Å²	56.5	3%	0.025	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.7	-169.1	0	0	0	0	0	114	V243 D245 I284 S285	V243-A288 HydrophobicContact CG1-CB 4Å; D245-A288 PolarHBondContact OD1-N 3.04Å; I284-A288 HydrophobicContact CG2-CB 3.8Å; S285-A288 WeakPolarHBondContact O-CB 3.22Å; S285-A288 PolarHBondContact O-N 2.92Å
289	F	95.8	Very high	95.6	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	4.1	-178.4	-50.2	-44.7	0	0	0	114	F248 L257 I259 I284 G287 M291 L292 L298 W312 T316	F248-F289 HydrophobicContact CD2-CD1 4.28Å; F248-F289 HydrophobicContact CD2-CE1 4.22Å; F248-F289 HydrophobicContact CE2-CE1 4.08Å; L257-F289 HydrophobicContact CD2-CD1 4.18Å; L257-F289 HydrophobicContact CD2-CE1 3.83Å; I259-F289 HydrophobicContact CD1-CZ 4.26Å; I284-F289 HydrophobicContact CD1-CZ 4.31Å; I284-F289 HydrophobicContact CG2-CE2 3.9Å; I284-F289 HydrophobicContact CG2-CZ 3.76Å; G287-F289 VanDerWaalsContact C-N 3.26Å; G287-F289 PolarHBondContact O-N 2.88Å; G287-F289 VanDerWaalsContact O-N 3.1Å; F289-M291 PolarHBondContact O-N 3.03Å; F289-M291 VanDerWaalsContact O-N 3.17Å; F289-L292 HydrophobicContact CB-CD1 4.23Å; F289-L292 HydrophobicContact CD1-CD1 3.79Å; F289-L292 HydrophobicContact CG-CD1 4.43Å; F289-L292 WeakPolarHBondContact O-CB 3.48Å; F289-L292 PolarHBondContact O-N 2.87Å; F289-L298 HydrophobicContact CD2-CD2 4.39Å; F289-L298 HydrophobicContact CE2-CD2 4.17Å; F289-L298 HydrophobicContact CZ-CD1 4.42Å; F289-W312 HydrophobicContact CD2-CB 3.86Å; F289-W312 HydrophobicContact CD2-CG 4Å; F289-W312 HydrophobicContact CE2-CB 4.31Å; F289-W312 HydrophobicContact CE2-CD2 4.3Å; F289-W312 HydrophobicContact CE2-CG 4.09Å; F289-T316 HydrophobicContact CB-CG2 4.35Å
290	K	94.1	Very high	96	Very high	123 Å²	123	44.3 Å²	44.3	54%	0.535	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.3	-172	-169.8	-176.8	176.7	180	0	113.1	G287 S315	G287-K290 WeakPolarHBondContact O-CB 3.34Å; G287-K290 PolarHBondContact O-N 2.86Å; K290-S315 WeakPolarHBondContact O-CB 3.49Å; K290-S315 PolarHBondContact O-OG 2.79Å
291	M	94.3	Very high	96	Very high	78 Å²	78	44.3 Å²	44.3	38%	0.384	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.1	-178.6	-61.8	-63.4	99.4	0	0	113.8	K249 F289 T293	K249-M291 HydrophobicContact CG-CG 4.41Å; K249-M291 WeakPolarHBondContact O-CB 3.48Å; K249-M291 WeakPolarHBondContact O-CG 3.48Å; F289-M291 PolarHBondContact O-N 3.03Å; F289-M291 VanDerWaalsContact O-N 3.17Å; M291-T293 PolarHBondContact O-N 3.04Å
292	L	95.3	Very high	96	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.			trans	-84.1	57	-174.8	-56.3	-176.5	0	0	0	112.1	F248 L251 L254 L257 F289 K294 L295	F248-L292 HydrophobicContact CB-CD1 4.43Å; F248-L292 HydrophobicContact CB-CD2 4.17Å; L251-L292 HydrophobicContact CB-CD2 4.03Å; L251-L292 WeakPolarHBondContact O-CD2 3.01Å; L254-L292 HydrophobicContact CB-CD2 4.09Å; L254-L292 HydrophobicContact CD2-CD1 4.35Å; L254-L292 HydrophobicContact CD2-CD2 4.13Å; L257-L292 HydrophobicContact CD2-CD1 3.91Å; F289-L292 HydrophobicContact CB-CD1 4.23Å; F289-L292 HydrophobicContact CD1-CD1 3.79Å; F289-L292 HydrophobicContact CG-CD1 4.43Å; F289-L292 WeakPolarHBondContact O-CB 3.48Å; F289-L292 PolarHBondContact O-N 2.87Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 PolarHBondContact O-N 2.84Å; L292-L295 HydrophobicContact CB-CB 4.17Å; L292-L295 HydrophobicContact CB-CD2 4.41Å; L292-L295 HydrophobicContact CD1-CD2 4.25Å; L292-L295 VanDerWaalsContact O-CB 3.28Å; L292-L295 WeakPolarHBondContact O-CB 3.25Å; L292-L295 PolarHBondContact O-N 2.99Å
293	T	93.3	Very high	96	Very high	72 Å²	72	42.4 Å²	42.4	44%	0.442	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.2	-170.1	56.7	0	0	0	0	114.4	M291	M291-T293 PolarHBondContact O-N 3.04Å
294	K	96.3	Very high	96	Very high	103 Å²	103	36.4 Å²	36.4	45%	0.448	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.3	178.6	-62.4	-170.9	-171.5	167.1	0	114.2	N253 L254 L292 K296	N253-K294 PolarHBondContact OD1-NZ 3.11Å; L254-K294 CarbonylContact O-C 3.57Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 PolarHBondContact O-N 2.84Å; K294-K296 PolarHBondContact O-N 2.91Å
295	L	97.3	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.			trans	-65.6	124.2	-174.3	-162.6	71.1	0	0	0	111.1	L254 L257 L292 L298 T316 D318 L319	L254-L295 HydrophobicContact CD2-CD1 4.36Å; L254-L295 HydrophobicContact CG-CD1 4.36Å; L254-L295 VanDerWaalsContact O-CA 3.3Å; L254-L295 WeakPolarHBondContact O-CA 3.13Å; L254-L295 PolarHBondContact O-N 3.23Å; L254-L295 VanDerWaalsContact O-N 3.16Å; L257-L295 HydrophobicContact CB-CD1 3.88Å; L292-L295 HydrophobicContact CB-CB 4.17Å; L292-L295 HydrophobicContact CB-CD2 4.41Å; L292-L295 HydrophobicContact CD1-CD2 4.25Å; L292-L295 VanDerWaalsContact O-CB 3.28Å; L292-L295 WeakPolarHBondContact O-CB 3.25Å; L292-L295 PolarHBondContact O-N 2.99Å; L295-L298 HydrophobicContact CD2-CB 4.03Å; L295-L298 HydrophobicContact CD2-CD1 4.32Å; L295-L298 HydrophobicContact CD2-CD2 4.5Å; L295-T316 HydrophobicContact CB-CG2 4.33Å; L295-T316 HydrophobicContact CD2-CG2 4.23Å; L295-D318 CarbonylContact O-C 3.43Å; L295-L319 HydrophobicContact CB-CD1 4.49Å; L295-L319 HydrophobicContact CD2-CD1 4.13Å; L295-L319 HydrophobicContact CG-CD1 4.05Å; L295-L319 WeakPolarHBondContact O-CA 3.49Å; L295-L319 PolarHBondContact O-N 2.81Å
296	K	97.1	Very high	96	Very high	80 Å²	80	37.7 Å²	37.7	35%	0.348	19%	0.189	S	C	.	.			trans	-108.3	-32.2	178.2	-65.4	176	-172.7	160.9	0	112	E255 K294 R320 V321	E255-K296 WeakPolarHBondContact O-CA 2.91Å; E255-K296 PolarHBondContact O-N 3.02Å; E255-K296 IonicContact OE2-NZ 2.7Å; E255-K296 PolarHBondContact OE2-NZ 2.93Å; K294-K296 PolarHBondContact O-N 2.91Å; K296-R320 WeakPolarHBondContact O-CA 3.16Å; K296-R320 PolarHBondContact O-N 2.76Å; K296-V321 PolarHBondContact O-N 2.85Å
297	T	96.8	Very high	96.1	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.117	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.6	-179.4	-58.3	0	0	0	0	110.2	E255 I256 L257 R299 V321	E255-T297 PolarHBondContact O-N 3.23Å; I256-T297 WeakPolarHBondContact CA-O 3.38Å; I256-T297 HydrophobicContact CG2-CG2 4.15Å; L257-T297 PolarHBondContact N-O 3.09Å; T297-R299 HydrophobicContact CG2-CG 4.17Å; T297-V321 WeakPolarHBondContact CA-O 3.34Å; T297-V321 HydrophobicContact CG2-CB 3.98Å; T297-V321 HydrophobicContact CG2-CG1 4.11Å
298	L	97.8	Very high	96.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124	173.3	179	60.2	0	0	0	109	L257 F289 L295 L300 F313 L319 V321 L322 D323	L257-L298 HydrophobicContact CB-CD1 4.17Å; L257-L298 HydrophobicContact CD2-CD1 4.05Å; L257-L298 HydrophobicContact CG-CD1 4.19Å; L257-L298 WeakPolarHBondContact O-CA 3.46Å; F289-L298 HydrophobicContact CD2-CD2 4.39Å; F289-L298 HydrophobicContact CE2-CD2 4.17Å; F289-L298 HydrophobicContact CZ-CD1 4.42Å; L295-L298 HydrophobicContact CD2-CB 4.03Å; L295-L298 HydrophobicContact CD2-CD1 4.32Å; L295-L298 HydrophobicContact CD2-CD2 4.5Å; L298-L300 HydrophobicContact CD1-CG 4.36Å; L298-L300 HydrophobicContact CD2-CD1 4.04Å; L298-L300 HydrophobicContact CG-CD1 4.22Å; L298-L300 HydrophobicContact CG-CG 4.18Å; L298-F313 HydrophobicContact CD2-CE1 4.13Å; L298-L319 HydrophobicContact CB-CD1 3.88Å; L298-L319 HydrophobicContact CB-CD2 4.43Å; L298-V321 PolarHBondContact N-O 2.76Å; L298-L322 HydrophobicContact CB-CD1 4.16Å; L298-L322 HydrophobicContact CD2-CD1 4.19Å; L298-L322 HydrophobicContact CG-CD1 4.22Å; L298-L322 WeakPolarHBondContact O-CA 2.7Å; L298-D323 PolarHBondContact O-N 3.12Å
299	R	97.3	Very high	96.1	Very high	30 Å²	30	35.7 Å²	35.7	11%	0.113	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.4	176.9	-63.6	175.3	-179.6	153.2	-1.1	110.7	L257 D258 I259 S260 T297 D323 Y481	L257-R299 PolarHBondContact O-N 3.33Å; D258-R299 HydrophobicContact CB-CB 4.25Å; D258-R299 WeakPolarHBondContact OD1-CB 3.2Å; D258-R299 WeakPolarHBondContact OD2-CD 3.34Å; D258-R299 IonicContact OD2-NH1 2.7Å; D258-R299 PolarHBondContact OD2-NH1 2.69Å; I259-R299 PolarHBondContact N-O 3.42Å; S260-R299 WeakPolarHBondContact OG-CB 3.36Å; S260-R299 PolarHBondContact OG-O 3.08Å; T297-R299 HydrophobicContact CG2-CG 4.17Å; R299-D323 HydrophobicContact CB-CB 4.22Å; R299-D323 HydrophobicContact CG-CB 3.93Å; R299-Y481 PolarHBondContact NH2-OH 2.78Å
300	L	97.5	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.			trans	-127.9	29	-178.5	-67.6	169.6	0	0	0	109.9	I259 I284 L298 L305 D323 L324 N327	I259-L300 HydrophobicContact CD1-CD2 3.49Å; I259-L300 VanDerWaalsContact CD1-CD2 3.49Å; I259-L300 HydrophobicContact CG1-CD2 3.68Å; I284-L300 HydrophobicContact CD1-CD2 3.78Å; L298-L300 HydrophobicContact CD1-CG 4.36Å; L298-L300 HydrophobicContact CD2-CD1 4.04Å; L298-L300 HydrophobicContact CG-CD1 4.22Å; L298-L300 HydrophobicContact CG-CG 4.18Å; L300-L305 HydrophobicContact CB-CD1 4.16Å; L300-L305 HydrophobicContact CD1-CD1 4.34Å; L300-D323 CarbonylContact C-O 3.39Å; L300-D323 WeakPolarHBondContact CA-O 2.95Å; L300-D323 PolarHBondContact N-O 2.79Å; L300-L324 HydrophobicContact CB-CD2 3.94Å; L300-L324 HydrophobicContact CD1-CD2 3.85Å; L300-N327 PolarHBondContact O-ND2 2.93Å
301	H	95.7	Very high	95.9	Very high	33 Å²	33	34.9 Å²	34.9	15%	0.153	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	138.1	179.2	162	89.1	0	0	0	110.4	S260 G261 N303 S325 S326	S260-H301 CarbonylContact C-O 3.26Å; S260-H301 WeakPolarHBondContact CA-O 3.1Å; S260-H301 WeakPolarHBondContact CB-O 3.46Å; S260-H301 PolarHBondContact OG-N 3.4Å; G261-H301 PolarHBondContact N-O 2.93Å; H301-N303 PolarHBondContact O-N 2.99Å; H301-S325 CarbonylContact C-O 3.44Å; H301-S325 VanDerWaalsContact CA-O 3.29Å; H301-S325 WeakPolarHBondContact CA-O 3.22Å; H301-S325 PolarHBondContact ND1-OG 3.21Å; H301-S326 PolarHBondContact CE1-OG 3.37Å
302	S	96.3	Very high	95.9	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	57.5	173.6	-161.6	0	0	0	0	113.5	G261 P264 R265 S325 S326	G261-S302 WeakPolarHBondContact CA-O 3.12Å; G261-S302 PolarHBondContact N-O 3.01Å; P264-S302 VanDerWaalsContact CA-O 3.29Å; P264-S302 WeakPolarHBondContact CA-O 3.33Å; P264-S302 WeakPolarHBondContact CA-OG 3.42Å; R265-S302 PolarHBondContact N-OG 3.18Å; S302-S325 PolarHBondContact N-O 2.02Å; S302-S326 WeakPolarHBondContact CA-O 3.41Å
303	N	97.9	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-116.9	14	175.2	-82.4	-34.8	0	0	0	112.7	I259 G261 N262 C263 L282 H301 L305 N327	I259-N303 PolarHBondContact O-ND2 3.32Å; I259-N303 PolarHBondContact O-OD1 3.25Å; G261-N303 PolarHBondContact N-OD1 3.21Å; N262-N303 PolarHBondContact N-OD1 2.74Å; C263-N303 CarbonylContact O-C 3.59Å; C263-N303 WeakPolarHBondContact O-CA 3.47Å; L282-N303 HydrophobicContact CB-CB 4.02Å; L282-N303 HydrophobicContact CD2-CB 4.28Å; L282-N303 PolarHBondContact N-O 2.92Å; L282-N303 VanDerWaalsContact N-O 3.07Å; H301-N303 PolarHBondContact O-N 2.99Å; N303-L305 HydrophobicContact CB-CD1 4.44Å; N303-L305 HydrophobicContact CB-CD2 4.37Å; N303-L305 HydrophobicContact CB-CG 3.98Å; N303-L305 PolarHBondContact O-N 2.74Å; N303-N327 VanDerWaalsContact C-OD1 3.27Å; N303-N327 WeakPolarHBondContact CA-OD1 3.05Å; N303-N327 PolarHBondContact N-OD1 3.08Å
304	S	97.3	Very high	95.8	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.035	16%	0.164	C	C	.	.			trans	53.9	23.9	-179.1	-58.3	0	0	0	0	114.2	C263 P264 R265 P281 T306 N327	C263-S304 WeakPolarHBondContact O-CB 3.34Å; C263-S304 PolarHBondContact O-N 2.93Å; C263-S304 PolarHBondContact O-OG 3.07Å; P264-S304 PolarHBondContact O-OG 3.17Å; R265-S304 PolarHBondContact N-OG 3.41Å; P281-S304 WeakPolarHBondContact CB-O 3.45Å; S304-T306 PolarHBondContact O-N 2.87Å; S304-N327 PolarHBondContact N-OD1 2.99Å
305	L	97.4	Very high	95.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	16%	0.156	C	C	.	.			trans	-61.8	135.3	-177.2	-59.5	175.4	0	0	0	111.2	P281 L282 I284 L300 N303 W312 L324 N327 F328 L329	P281-L305 HydrophobicContact CB-CD2 4.4Å; L282-L305 HydrophobicContact CB-CD2 4.48Å; I284-L305 HydrophobicContact CD1-CD2 4.49Å; L300-L305 HydrophobicContact CB-CD1 4.16Å; L300-L305 HydrophobicContact CD1-CD1 4.34Å; N303-L305 HydrophobicContact CB-CD1 4.44Å; N303-L305 HydrophobicContact CB-CD2 4.37Å; N303-L305 HydrophobicContact CB-CG 3.98Å; N303-L305 PolarHBondContact O-N 2.74Å; L305-W312 HydrophobicContact CD1-CZ3 4.48Å; L305-W312 HydrophobicContact CD2-CH2 4.47Å; L305-L324 HydrophobicContact CD1-CD2 4.23Å; L305-N327 HydrophobicContact CB-CB 4.07Å; L305-N327 WeakPolarHBondContact CG-OD1 3.49Å; L305-N327 PolarHBondContact N-OD1 3.02Å; L305-F328 CarbonylContact O-C 3.29Å; L305-F328 WeakPolarHBondContact O-CA 3.38Å; L305-F328 PolarHBondContact O-N 3.4Å; L305-L329 HydrophobicContact CB-CD2 4.12Å; L305-L329 WeakPolarHBondContact O-CD2 3.48Å
306	T	95.5	Very high	95.2	Very high	82 Å²	82	28.1 Å²	28.1	50%	0.503	16%	0.156	S	C	.	.			trans	-104.7	-20.3	178.6	54.4	0	0	0	0	113.3	S304 F328	S304-T306 PolarHBondContact O-N 2.87Å; T306-F328 HydrophobicContact CG2-CB 4.25Å
307	C	95.3	Very high	94.7	Very high	59 Å²	59	31 Å²	31	40%	0.399	17%	0.169	S	C	.	.			trans	-147.4	156.1	176.8	57.4	0	0	0	0	110.6
308	I	95.5	Very high	94.6	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.181	C	C	.	.			trans	-112	123.5	175.7	-58.1	163	0	0	0	108.4	P310 W312 F313 L324 L329 D332 F338	I308-P310 WeakPolarHBondContact O-CD 3.43Å; I308-W312 HydrophobicContact CG2-CE3 4.1Å; I308-W312 HydrophobicContact CG2-CZ3 4.16Å; I308-F313 HydrophobicContact CG2-CE2 3.51Å; I308-F313 HydrophobicContact CG2-CZ 4.14Å; I308-L324 HydrophobicContact CD1-CD1 3.67Å; I308-L324 HydrophobicContact CG1-CD1 4.39Å; I308-L329 HydrophobicContact CD1-CD1 4.01Å; I308-L329 HydrophobicContact CD1-CD2 4.31Å; I308-L329 HydrophobicContact CG1-CD1 4.13Å; I308-L329 HydrophobicContact CG1-CD2 3.81Å; I308-D332 WeakPolarHBondContact CB-OD2 3.31Å; I308-D332 PolarHBondContact N-OD2 2.7Å; I308-F338 HydrophobicContact CB-CD1 4.11Å; I308-F338 HydrophobicContact CD1-CD1 3.61Å; I308-F338 HydrophobicContact CD1-CE1 3.38Å; I308-F338 HydrophobicContact CD1-CZ 4.08Å; I308-F338 HydrophobicContact CG2-CB 3.94Å; I308-F338 HydrophobicContact CG2-CD1 3.82Å; I308-F338 HydrophobicContact CG2-CG 3.85Å
309	L	94.1	Very high	94.6	Very high	46 Å²	46	33.5 Å²	33.5	24%	0.241	18%	0.181	C	C	.	.			trans	-84.8	121.2	176.8	-60.9	179.3	0	0	0	110.1	K286 E311 W312	K286-L309 HydrophobicContact CG-CD1 4.1Å; L309-E311 PolarHBondContact O-N 3.32Å; L309-W312 HydrophobicContact CB-CD2 3.97Å; L309-W312 HydrophobicContact CB-CG 4.18Å; L309-W312 HydrophobicContact CB-CZ2 4.19Å; L309-W312 HydrophobicContact CD1-CZ2 3.98Å; L309-W312 HydrophobicContact CG-CZ2 4.02Å; L309-W312 WeakPolarHBondContact O-CB 3.49Å; L309-W312 PolarHBondContact O-N 2.8Å
310	P	92.3	Very high	94.5	Very high	34 Å²	34	37.6 Å²	37.6	22%	0.221	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.3	176.7	-23.6	34	0	0	0	113.3	I308 W312 F313 F341	I308-P310 WeakPolarHBondContact O-CD 3.43Å; P310-W312 PolarHBondContact O-N 3.35Å; P310-F313 PolarHBondContact O-N 3.31Å; P310-F341 HydrophobicContact CB-CD2 4.12Å; P310-F341 HydrophobicContact CB-CE2 3.63Å; P310-F341 HydrophobicContact CB-CZ 4.38Å
311	E	93.8	Very high	94.5	Very high	73 Å²	73	39.1 Å²	39.1	34%	0.341	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-54.5	-33.8	177.4	-65.1	96	138.8	0	0	112.9	K286 L309 F313 T314	K286-E311 IonicContact NZ-OE1 2.8Å; L309-E311 PolarHBondContact O-N 3.32Å; E311-F313 PolarHBondContact O-N 2.94Å; E311-F313 VanDerWaalsContact O-N 3.15Å; E311-T314 PolarHBondContact O-N 2.94Å; E311-T314 PolarHBondContact O-OG1 2.77Å
312	W	95.1	Very high	94.6	Very high	11 Å²	11	37.5 Å²	37.5	4%	0.042	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56.5	-30	177.6	-68.1	-14.5	0	0	0	113.5	I284 S285 F289 L305 I308 L309 P310	I284-W312 HydrophobicContact CB-CZ2 3.79Å; I284-W312 HydrophobicContact CD1-CH2 4.31Å; I284-W312 HydrophobicContact CD1-CZ2 4.31Å; I284-W312 HydrophobicContact CG2-CZ2 4.2Å; S285-W312 PolarHBondContact O-NE1 3.15Å; F289-W312 HydrophobicContact CD2-CB 3.86Å; F289-W312 HydrophobicContact CD2-CG 4Å; F289-W312 HydrophobicContact CE2-CB 4.31Å; F289-W312 HydrophobicContact CE2-CD2 4.3Å; F289-W312 HydrophobicContact CE2-CG 4.09Å; L305-W312 HydrophobicContact CD1-CZ3 4.48Å; L305-W312 HydrophobicContact CD2-CH2 4.47Å; I308-W312 HydrophobicContact CG2-CE3 4.1Å; I308-W312 HydrophobicContact CG2-CZ3 4.16Å; L309-W312 HydrophobicContact CB-CD2 3.97Å; L309-W312 HydrophobicContact CB-CG 4.18Å; L309-W312 HydrophobicContact CB-CZ2 4.19Å; L309-W312 HydrophobicContact CD1-CZ2 3.98Å; L309-W312 HydrophobicContact CG-CZ2 4.02Å; L309-W312 WeakPolarHBondContact O-CB 3.49Å; L309-W312 PolarHBondContact O-N 2.8Å; P310-W312 PolarHBondContact O-N 3.35Å
313	F	95.1	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-106.2	1.3	-172.8	-51.5	-71.9	0	0	0	114	L298 I308 P310 E311 S315 T316 L319 L322 F338 F341 L342	L298-F313 HydrophobicContact CD2-CE1 4.13Å; I308-F313 HydrophobicContact CG2-CE2 3.51Å; I308-F313 HydrophobicContact CG2-CZ 4.14Å; P310-F313 PolarHBondContact O-N 3.31Å; E311-F313 PolarHBondContact O-N 2.94Å; E311-F313 VanDerWaalsContact O-N 3.15Å; F313-S315 VanDerWaalsContact C-N 3.26Å; F313-S315 PolarHBondContact O-N 3.08Å; F313-T316 WeakPolarHBondContact CA-OG1 3.34Å; F313-T316 PolarHBondContact O-N 2.94Å; F313-L319 HydrophobicContact CD1-CD2 4.16Å; F313-L319 HydrophobicContact CE1-CD2 4.17Å; F313-L322 HydrophobicContact CE1-CD1 4.16Å; F313-L322 HydrophobicContact CE1-CD2 3.92Å; F313-L322 HydrophobicContact CZ-CD1 4.41Å; F313-L322 HydrophobicContact CZ-CD2 3.93Å; F313-F338 HydrophobicContact CD2-CB 3.85Å; F313-F338 HydrophobicContact CD2-CD2 4.29Å; F313-F338 HydrophobicContact CD2-CG 4.44Å; F313-F338 HydrophobicContact CE2-CB 3.89Å; F313-F338 AromaticContact CE2-CD2 3.98Å; F313-F338 HydrophobicContact CE2-CD2 3.98Å; F313-F338 HydrophobicContact CE2-CG 4.12Å; F313-F338 HydrophobicContact CZ-CD2 4.48Å; F313-F341 HydrophobicContact CB-CB 3.96Å; F313-L342 HydrophobicContact CB-CD2 3.96Å; F313-L342 HydrophobicContact CB-CG 4.35Å; F313-L342 HydrophobicContact CD1-CD1 4.21Å; F313-L342 HydrophobicContact CD1-CD2 3.84Å; F313-L342 HydrophobicContact CD1-CG 4.41Å; F313-L342 HydrophobicContact CE1-CD1 4.41Å; F313-L342 HydrophobicContact CG-CD1 4.33Å; F313-L342 HydrophobicContact CG-CD2 4.05Å; F313-L342 HydrophobicContact CG-CG 4.32Å
314	T	90.6	Very high	94.6	Very high	61 Å²	61	38 Å²	38	37%	0.374	20%	0.2	S	C	.	.	S	Bend	trans	-61.1	-35.2	-176.4	53.6	0	0	0	0	112.9	E311 K317 F341	E311-T314 PolarHBondContact O-N 2.94Å; E311-T314 PolarHBondContact O-OG1 2.77Å; T314-K317 WeakPolarHBondContact O-CE 3.43Å; T314-F341 HydrophobicContact CG2-CD1 4.45Å; T314-F341 HydrophobicContact CG2-CE1 4.27Å
315	S	90	Very high	94.5	Very high	38 Å²	38	37.8 Å²	37.8	27%	0.266	20%	0.199	S	C	.	.	S	Bend	trans	-101.2	-18.9	-179.4	-62.4	0	0	0	0	114.2	K290 F313 K317	K290-S315 WeakPolarHBondContact O-CB 3.49Å; K290-S315 PolarHBondContact O-OG 2.79Å; F313-S315 VanDerWaalsContact C-N 3.26Å; F313-S315 PolarHBondContact O-N 3.08Å; S315-K317 PolarHBondContact O-N 2.89Å
316	T	91.4	Very high	94.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.201	C	C	.	.			trans	-93.6	56.6	-175.5	64.4	0	0	0	0	112.2	F289 L295 F313 D318 L319	F289-T316 HydrophobicContact CB-CG2 4.35Å; L295-T316 HydrophobicContact CB-CG2 4.33Å; L295-T316 HydrophobicContact CD2-CG2 4.23Å; F313-T316 WeakPolarHBondContact CA-OG1 3.34Å; F313-T316 PolarHBondContact O-N 2.94Å; T316-D318 VanDerWaalsContact C-N 3.26Å; T316-D318 PolarHBondContact O-N 2.98Å; T316-L319 WeakPolarHBondContact O-CB 3.43Å; T316-L319 PolarHBondContact O-N 3.26Å
317	K	87	Confident	94.5	Very high	141 Å²	141	34.1 Å²	34.1	61%	0.613	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.4	-172.8	-63.7	-176.3	-179.2	179.8	0	114.7	T314 S315	T314-K317 WeakPolarHBondContact O-CE 3.43Å; S315-K317 PolarHBondContact O-N 2.89Å
318	D	94.1	Very high	94.5	Very high	71 Å²	71	34.2 Å²	34.2	38%	0.38	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	10.8	179.5	-71.3	-36.4	0	0	0	113.5	L295 T316 R320 K344	L295-D318 CarbonylContact O-C 3.43Å; T316-D318 VanDerWaalsContact C-N 3.26Å; T316-D318 PolarHBondContact O-N 2.98Å; D318-R320 PolarHBondContact O-N 3.4Å; D318-K344 IonicContact OD1-NZ 2.84Å; D318-K344 PolarHBondContact OD1-NZ 3.31Å
319	L	96.8	Very high	94.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.169	C	C	.	.			trans	-63.7	128.5	178.7	-161.7	75	0	0	0	111	L295 L298 F313 T316 L322 L342 K344 L345	L295-L319 HydrophobicContact CB-CD1 4.49Å; L295-L319 HydrophobicContact CD2-CD1 4.13Å; L295-L319 HydrophobicContact CG-CD1 4.05Å; L295-L319 WeakPolarHBondContact O-CA 3.49Å; L295-L319 PolarHBondContact O-N 2.81Å; L298-L319 HydrophobicContact CB-CD1 3.88Å; L298-L319 HydrophobicContact CB-CD2 4.43Å; F313-L319 HydrophobicContact CD1-CD2 4.16Å; F313-L319 HydrophobicContact CE1-CD2 4.17Å; T316-L319 WeakPolarHBondContact O-CB 3.43Å; T316-L319 PolarHBondContact O-N 3.26Å; L319-L322 HydrophobicContact CD2-CB 4.12Å; L319-L322 HydrophobicContact CD2-CD1 4.34Å; L319-L322 HydrophobicContact CD2-CD2 4.45Å; L319-L342 HydrophobicContact CB-CD2 4.09Å; L319-L342 HydrophobicContact CD2-CD2 3.84Å; L319-K344 CarbonylContact O-C 3.47Å; L319-L345 HydrophobicContact CD2-CD1 4.19Å; L319-L345 HydrophobicContact CG-CD1 4.2Å; L319-L345 WeakPolarHBondContact O-CA 3.39Å; L319-L345 PolarHBondContact O-N 2.85Å
320	R	96.7	Very high	94.5	Very high	115 Å²	115	32.3 Å²	32.3	43%	0.434	16%	0.162	S	C	.	.			trans	-110.7	-37.8	-178.9	-65.1	-178.3	-179.5	-134.4	5.8	112.7	K296 D318 L345 E346 E347	K296-R320 WeakPolarHBondContact O-CA 3.16Å; K296-R320 PolarHBondContact O-N 2.76Å; D318-R320 PolarHBondContact O-N 3.4Å; R320-L345 WeakPolarHBondContact O-CD1 3.34Å; R320-E346 HydrophobicContact CB-CB 4.47Å; R320-E346 HydrophobicContact CB-CG 4.3Å; R320-E346 WeakPolarHBondContact CD-OE1 3.25Å; R320-E346 HydrophobicContact CG-CG 4.44Å; R320-E346 IonicContact CZ-OE1 2.67Å; R320-E346 IonicContact NE-OE1 2.74Å; R320-E346 IonicContact NH1-OE1 3.1Å; R320-E346 PolarHBondContact NH1-OE1 3.11Å; R320-E346 IonicContact NH1-OE2 3.2Å; R320-E346 WeakPolarHBondContact O-CA 3.48Å; R320-E346 PolarHBondContact O-N 3.18Å; R320-E347 PolarHBondContact O-N 3.27Å
321	V	96.4	Very high	94.5	Very high	32 Å²	32	38.8 Å²	38.8	19%	0.194	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.6	-177.6	-178.4	0	0	0	0	109.6	K296 T297 L298 E347	K296-V321 PolarHBondContact O-N 2.85Å; T297-V321 WeakPolarHBondContact CA-O 3.34Å; T297-V321 HydrophobicContact CG2-CB 3.98Å; T297-V321 HydrophobicContact CG2-CG1 4.11Å; L298-V321 PolarHBondContact N-O 2.76Å; V321-E347 WeakPolarHBondContact CA-O 3.07Å; V321-E347 HydrophobicContact CG1-CB 4.27Å; V321-E347 HydrophobicContact CG1-CG 4.41Å; V321-E347 HydrophobicContact CG2-CB 4.23Å
322	L	97.7	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.5	175.9	179.6	58.3	0	0	0	110.1	L298 F313 L319 L324 F338 L342 L345 E347 L348 D349	L298-L322 HydrophobicContact CB-CD1 4.16Å; L298-L322 HydrophobicContact CD2-CD1 4.19Å; L298-L322 HydrophobicContact CG-CD1 4.22Å; L298-L322 WeakPolarHBondContact O-CA 2.7Å; F313-L322 HydrophobicContact CE1-CD1 4.16Å; F313-L322 HydrophobicContact CE1-CD2 3.92Å; F313-L322 HydrophobicContact CZ-CD1 4.41Å; F313-L322 HydrophobicContact CZ-CD2 3.93Å; L319-L322 HydrophobicContact CD2-CB 4.12Å; L319-L322 HydrophobicContact CD2-CD1 4.34Å; L319-L322 HydrophobicContact CD2-CD2 4.45Å; L322-L324 HydrophobicContact CD1-CD1 4.33Å; L322-L324 HydrophobicContact CD1-CG 4.09Å; L322-L324 HydrophobicContact CD2-CD1 3.78Å; L322-L324 HydrophobicContact CD2-CG 4.41Å; L322-L324 HydrophobicContact CG-CD1 3.92Å; L322-L324 HydrophobicContact CG-CG 4.03Å; L322-F338 HydrophobicContact CD2-CD2 4.49Å; L322-F338 HydrophobicContact CD2-CE2 3.98Å; L322-L342 HydrophobicContact CD2-CD1 3.68Å; L322-L345 HydrophobicContact CB-CD1 3.76Å; L322-L345 HydrophobicContact CB-CD2 4.3Å; L322-E347 PolarHBondContact N-O 3Å; L322-L348 HydrophobicContact CB-CD1 4.12Å; L322-L348 HydrophobicContact CD2-CD1 4.03Å; L322-L348 HydrophobicContact CG-CD1 4.07Å; L322-L348 WeakPolarHBondContact O-CA 3.27Å; L322-D349 PolarHBondContact O-N 2.84Å
323	D	96.4	Very high	94.5	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.1	174.3	-173.7	-4.6	0	0	0	110.2	L298 R299 L300 S325	L298-D323 PolarHBondContact O-N 3.12Å; R299-D323 HydrophobicContact CB-CB 4.22Å; R299-D323 HydrophobicContact CG-CB 3.93Å; L300-D323 CarbonylContact C-O 3.39Å; L300-D323 WeakPolarHBondContact CA-O 2.95Å; L300-D323 PolarHBondContact N-O 2.79Å; D323-S325 WeakPolarHBondContact OD1-CB 3.13Å; D323-S325 PolarHBondContact OD1-N 3.18Å; D323-S325 PolarHBondContact OD1-OG 2.64Å
324	L	97.4	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.			trans	-122.2	19.8	177.4	-73.9	165.6	0	0	0	110.8	L300 L305 I308 L322 N327 L329 F338 L348 D349 L350 N353	L300-L324 HydrophobicContact CB-CD2 3.94Å; L300-L324 HydrophobicContact CD1-CD2 3.85Å; L305-L324 HydrophobicContact CD1-CD2 4.23Å; I308-L324 HydrophobicContact CD1-CD1 3.67Å; I308-L324 HydrophobicContact CG1-CD1 4.39Å; L322-L324 HydrophobicContact CD1-CD1 4.33Å; L322-L324 HydrophobicContact CD1-CG 4.09Å; L322-L324 HydrophobicContact CD2-CD1 3.78Å; L322-L324 HydrophobicContact CD2-CG 4.41Å; L322-L324 HydrophobicContact CG-CD1 3.92Å; L322-L324 HydrophobicContact CG-CG 4.03Å; L324-N327 PolarHBondContact O-ND2 3.11Å; L324-L329 HydrophobicContact CB-CD1 3.95Å; L324-L329 HydrophobicContact CD2-CD1 4.24Å; L324-F338 HydrophobicContact CD1-CZ 4.35Å; L324-L348 HydrophobicContact CD1-CD1 4.49Å; L324-D349 CarbonylContact C-O 3.48Å; L324-D349 WeakPolarHBondContact CA-O 3.48Å; L324-D349 PolarHBondContact N-O 3.17Å; L324-L350 HydrophobicContact CB-CD2 3.83Å; L324-L350 HydrophobicContact CD1-CD2 3.99Å; L324-N353 PolarHBondContact O-ND2 3.23Å
325	S	95.6	Very high	94.4	Very high	1 Å²	1	39 Å²	39	1%	0.007	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	157.8	-177.3	64.2	0	0	0	0	112.9	H301 S302 D323 N327 D349 S351	H301-S325 CarbonylContact C-O 3.44Å; H301-S325 VanDerWaalsContact CA-O 3.29Å; H301-S325 WeakPolarHBondContact CA-O 3.22Å; H301-S325 PolarHBondContact ND1-OG 3.21Å; S302-S325 PolarHBondContact N-O 2.02Å; D323-S325 WeakPolarHBondContact OD1-CB 3.13Å; D323-S325 PolarHBondContact OD1-N 3.18Å; D323-S325 PolarHBondContact OD1-OG 2.64Å; S325-N327 VanDerWaalsContact C-N 3.28Å; S325-N327 PolarHBondContact O-N 2.88Å; S325-N327 PolarHBondContact O-ND2 3.29Å; S325-D349 PolarHBondContact N-O 3.15Å; S325-S351 CarbonylContact C-O 3.38Å; S325-S351 WeakPolarHBondContact CA-O 3.49Å; S325-S351 WeakPolarHBondContact CB-O 3.49Å
326	S	95.3	Very high	94.4	Very high	9 Å²	9	37.5 Å²	37.5	6%	0.063	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	32.3	178.6	-62.8	0	0	0	0	115	R265 H301 S302 S351	R265-S326 WeakPolarHBondContact CB-O 3.26Å; R265-S326 WeakPolarHBondContact CD-O 3.25Å; H301-S326 PolarHBondContact CE1-OG 3.37Å; S302-S326 WeakPolarHBondContact CA-O 3.41Å; S326-S351 PolarHBondContact N-O 3.19Å
327	N	97.4	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-103.1	-163.1	170.8	-71.7	-68.8	0	0	0	110.9	R265 L300 N303 S304 L305 L324 S325 L329 N353	R265-N327 PolarHBondContact NH1-O 3.06Å; L300-N327 PolarHBondContact O-ND2 2.93Å; N303-N327 VanDerWaalsContact C-OD1 3.27Å; N303-N327 WeakPolarHBondContact CA-OD1 3.05Å; N303-N327 PolarHBondContact N-OD1 3.08Å; S304-N327 PolarHBondContact N-OD1 2.99Å; L305-N327 HydrophobicContact CB-CB 4.07Å; L305-N327 WeakPolarHBondContact CG-OD1 3.49Å; L305-N327 PolarHBondContact N-OD1 3.02Å; L324-N327 PolarHBondContact O-ND2 3.11Å; S325-N327 VanDerWaalsContact C-N 3.28Å; S325-N327 PolarHBondContact O-N 2.88Å; S325-N327 PolarHBondContact O-ND2 3.29Å; N327-L329 HydrophobicContact CB-CD1 3.78Å; N327-L329 HydrophobicContact CB-CG 3.78Å; N327-N353 VanDerWaalsContact CA-OD1 3.28Å; N327-N353 WeakPolarHBondContact CA-OD1 3.41Å; N327-N353 WeakPolarHBondContact CB-OD1 3.16Å; N327-N353 PolarHBondContact N-OD1 2.92Å; N327-N353 WeakPolarHBondContact O-CA 3.41Å; N327-N353 PolarHBondContact O-OD1 3.2Å
328	F	96.3	Very high	94.8	Very high	60 Å²	60	33.6 Å²	33.6	26%	0.263	17%	0.169	S	C	.	.	S	Bend	trans	-116	44	176.9	-63.7	-74	0	0	0	111.8	R265 L305 T306 N353	R265-F328 HydrophobicContact CB-CE2 4.39Å; R265-F328 HydrophobicContact CB-CZ 4.37Å; R265-F328 HydrophobicContact CG-CE1 4.2Å; R265-F328 HydrophobicContact CG-CE2 4.2Å; R265-F328 HydrophobicContact CG-CZ 3.71Å; L305-F328 CarbonylContact O-C 3.29Å; L305-F328 WeakPolarHBondContact O-CA 3.38Å; L305-F328 PolarHBondContact O-N 3.4Å; T306-F328 HydrophobicContact CG2-CB 4.25Å; F328-N353 PolarHBondContact N-OD1 3.43Å
329	L	96.4	Very high	94.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.			trans	-91.7	4	-168.2	-57.8	167.4	0	0	0	115.1	L305 I308 L324 N327 R331 D332 I333 N353	L305-L329 HydrophobicContact CB-CD2 4.12Å; L305-L329 WeakPolarHBondContact O-CD2 3.48Å; I308-L329 HydrophobicContact CD1-CD1 4.01Å; I308-L329 HydrophobicContact CD1-CD2 4.31Å; I308-L329 HydrophobicContact CG1-CD1 4.13Å; I308-L329 HydrophobicContact CG1-CD2 3.81Å; L324-L329 HydrophobicContact CB-CD1 3.95Å; L324-L329 HydrophobicContact CD2-CD1 4.24Å; N327-L329 HydrophobicContact CB-CD1 3.78Å; N327-L329 HydrophobicContact CB-CG 3.78Å; L329-R331 VanDerWaalsContact C-N 3.29Å; L329-R331 PolarHBondContact O-N 3.16Å; L329-R331 VanDerWaalsContact O-N 3.15Å; L329-D332 HydrophobicContact CD2-CB 4.48Å; L329-D332 PolarHBondContact O-N 3.39Å; L329-I333 HydrophobicContact CB-CD1 4.09Å; L329-I333 HydrophobicContact CB-CG1 4.15Å; L329-I333 VanDerWaalsContact O-CG1 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.42Å; L329-I333 PolarHBondContact O-N 3.01Å; L329-N353 HydrophobicContact CB-CB 4.24Å; L329-N353 VanDerWaalsContact CB-OD1 3.22Å; L329-N353 WeakPolarHBondContact CB-OD1 3.31Å; L329-N353 VanDerWaalsContact CG-OD1 3.31Å; L329-N353 WeakPolarHBondContact CG-OD1 3.33Å; L329-N353 PolarHBondContact N-OD1 3.49Å
330	A	93.3	Very high	94.7	Very high	10 Å²	10	35.4 Å²	35.4	8%	0.083	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.3	-174.3	0	0	0	0	0	114.5	N353 E355 Y383	A330-N353 VanDerWaalsContact CB-O 3.24Å; A330-N353 WeakPolarHBondContact CB-O 3.19Å; A330-N353 PolarHBondContact N-O 3.34Å; A330-E355 HydrophobicContact CB-CG 4.43Å; A330-Y383 HydrophobicContact CB-CE2 4.29Å; A330-Y383 PolarHBondContact O-OH 3.31Å
331	R	91.6	Very high	94.5	Very high	170 Å²	170	34 Å²	34	64%	0.642	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-48	173.5	-81.2	167	-155.3	-164.3	7.8	111.9	L329 I333 G334 E355	L329-R331 VanDerWaalsContact C-N 3.29Å; L329-R331 PolarHBondContact O-N 3.16Å; L329-R331 VanDerWaalsContact O-N 3.15Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 3.11Å; R331-G334 PolarHBondContact O-N 3.41Å; R331-E355 WeakPolarHBondContact CD-OE1 3.28Å; R331-E355 WeakPolarHBondContact CG-OE1 3.38Å; R331-E355 IonicContact CZ-OE1 3.57Å; R331-E355 IonicContact CZ-OE2 2.74Å; R331-E355 VanDerWaalsContact NE-CD 3.28Å; R331-E355 IonicContact NE-OE1 2.76Å; R331-E355 PolarHBondContact NE-OE1 2.82Å; R331-E355 IonicContact NE-OE2 3.72Å; R331-E355 PolarHBondContact NE-OE2 3.18Å; R331-E355 IonicContact NH2-OE1 3.4Å; R331-E355 IonicContact NH2-OE2 3.88Å; R331-E355 PolarHBondContact NH2-OE2 3.25Å
332	D	94.4	Very high	94.5	Very high	23 Å²	23	32.5 Å²	32.5	12%	0.123	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-64.2	-38.2	-171.7	-166.3	55.7	0	0	0	112	I308 L329 G334 T335 T336	I308-D332 WeakPolarHBondContact CB-OD2 3.31Å; I308-D332 PolarHBondContact N-OD2 2.7Å; L329-D332 HydrophobicContact CD2-CB 4.48Å; L329-D332 PolarHBondContact O-N 3.39Å; D332-G334 PolarHBondContact O-N 2.99Å; D332-G334 VanDerWaalsContact O-N 3.08Å; D332-T335 PolarHBondContact O-N 3.2Å; D332-T335 PolarHBondContact O-OG1 3.16Å; D332-T336 VanDerWaalsContact O-CB 3.25Å; D332-T336 WeakPolarHBondContact O-CB 3.29Å; D332-T336 WeakPolarHBondContact O-CG2 3.48Å; D332-T336 PolarHBondContact O-N 3.29Å
333	I	93.9	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-53.7	-32.2	176.3	-69.2	163	0	0	0	112.5	L329 R331 L350 N353 L365 N366 F369 Y383	L329-I333 HydrophobicContact CB-CD1 4.09Å; L329-I333 HydrophobicContact CB-CG1 4.15Å; L329-I333 VanDerWaalsContact O-CG1 3.27Å; L329-I333 WeakPolarHBondContact O-CG1 3.42Å; L329-I333 PolarHBondContact O-N 3.01Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 3.11Å; I333-L350 HydrophobicContact CD1-CB 4.22Å; I333-L350 HydrophobicContact CD1-CD1 4.23Å; I333-L350 HydrophobicContact CD1-CD2 4.04Å; I333-L350 HydrophobicContact CD1-CG 4.41Å; I333-L350 HydrophobicContact CG1-CD1 4.27Å; I333-L350 HydrophobicContact CG1-CD2 4.17Å; I333-N353 HydrophobicContact CD1-CB 4.23Å; I333-L365 HydrophobicContact CG2-CD2 3.58Å; I333-N366 PolarHBondContact O-N 3.26Å; I333-F369 HydrophobicContact CG2-CE2 4.18Å; I333-F369 HydrophobicContact CG2-CZ 4.01Å; I333-Y383 HydrophobicContact CD1-CE2 4.37Å
334	G	91.5	Very high	94.2	Very high	26 Å²	26	38.4 Å²	38.4	27%	0.268	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-79.2	-15.6	178.5	0	0	0	0	0	114.6	R331 D332	R331-G334 PolarHBondContact O-N 3.41Å; D332-G334 PolarHBondContact O-N 2.99Å; D332-G334 VanDerWaalsContact O-N 3.08Å
335	T	93.1	Very high	94.2	Very high	100 Å²	100	38.4 Å²	38.4	61%	0.613	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-20.9	-170.4	52.7	0	0	0	0	114.6	D332 N366	D332-T335 PolarHBondContact O-N 3.2Å; D332-T335 PolarHBondContact O-OG1 3.16Å; T335-N366 PolarHBondContact O-ND2 2.79Å
336	T	90.5	Very high	94.3	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.049	21%	0.208	C	C	.	.			trans	-76.9	148.3	-172.7	-170	0	0	0	0	113.6	D332 F338 N366 S368	D332-T336 VanDerWaalsContact O-CB 3.25Å; D332-T336 WeakPolarHBondContact O-CB 3.29Å; D332-T336 WeakPolarHBondContact O-CG2 3.48Å; D332-T336 PolarHBondContact O-N 3.29Å; T336-F338 HydrophobicContact CG2-CD1 3.34Å; T336-F338 HydrophobicContact CG2-CE1 3.53Å; T336-N366 PolarHBondContact O-ND2 2.88Å; T336-S368 PolarHBondContact O-OG 2.96Å; T336-S368 VanDerWaalsContact O-OG 3.08Å
337	D	93	Very high	94.3	Very high	60 Å²	60	42.6 Å²	42.6	32%	0.321	21%	0.213	S	C	.	.			trans	-108.1	5.2	-177	-87.9	-15.1	0	0	0	113.5	P339 K340 N366	D337-P339 VanDerWaalsContact C-N 3.26Å; D337-P339 VanDerWaalsContact O-N 3.16Å; D337-K340 HydrophobicContact CB-CD 4.13Å; D337-K340 WeakPolarHBondContact O-CB 3.44Å; D337-K340 WeakPolarHBondContact O-CG 3.4Å; D337-K340 PolarHBondContact O-N 2.94Å; D337-K340 VanDerWaalsContact O-N 3.09Å; D337-K340 WeakPolarHBondContact OD1-CE 3.49Å; D337-K340 IonicContact OD1-NZ 2.69Å; D337-K340 PolarHBondContact OD1-NZ 2.74Å; D337-K340 IonicContact OD2-NZ 2.78Å; D337-K340 PolarHBondContact OD2-NZ 3.46Å; D337-N366 PolarHBondContact OD1-ND2 2.92Å
338	F	93.8	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-52.6	-33.1	178	87.4	-96.2	0	0	0	114.7	I308 F313 L322 L324 T336 K340 F341 L342	I308-F338 HydrophobicContact CB-CD1 4.11Å; I308-F338 HydrophobicContact CD1-CD1 3.61Å; I308-F338 HydrophobicContact CD1-CE1 3.38Å; I308-F338 HydrophobicContact CD1-CZ 4.08Å; I308-F338 HydrophobicContact CG2-CB 3.94Å; I308-F338 HydrophobicContact CG2-CD1 3.82Å; I308-F338 HydrophobicContact CG2-CG 3.85Å; F313-F338 HydrophobicContact CD2-CB 3.85Å; F313-F338 HydrophobicContact CD2-CD2 4.29Å; F313-F338 HydrophobicContact CD2-CG 4.44Å; F313-F338 HydrophobicContact CE2-CB 3.89Å; F313-F338 AromaticContact CE2-CD2 3.98Å; F313-F338 HydrophobicContact CE2-CD2 3.98Å; F313-F338 HydrophobicContact CE2-CG 4.12Å; F313-F338 HydrophobicContact CZ-CD2 4.48Å; L322-F338 HydrophobicContact CD2-CD2 4.49Å; L322-F338 HydrophobicContact CD2-CE2 3.98Å; L324-F338 HydrophobicContact CD1-CZ 4.35Å; T336-F338 HydrophobicContact CG2-CD1 3.34Å; T336-F338 HydrophobicContact CG2-CE1 3.53Å; F338-K340 PolarHBondContact O-N 2.88Å; F338-K340 VanDerWaalsContact O-N 3.11Å; F338-F341 PolarHBondContact O-N 3.01Å; F338-F341 VanDerWaalsContact O-N 3.11Å; F338-L342 HydrophobicContact CD2-CD1 3.58Å; F338-L342 HydrophobicContact CE2-CD1 3.75Å
339	P	95.1	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22.6	179.5	-26.4	38	0	0	0	114	D337 F341 L342 S368 F369 L372	D337-P339 VanDerWaalsContact C-N 3.26Å; D337-P339 VanDerWaalsContact O-N 3.16Å; P339-F341 PolarHBondContact O-N 3.27Å; P339-F341 VanDerWaalsContact O-N 3.17Å; P339-L342 PolarHBondContact O-N 2.6Å; P339-S368 WeakPolarHBondContact CB-O 3.45Å; P339-F369 HydrophobicContact CG-CD2 4.04Å; P339-F369 HydrophobicContact CG-CE2 4.02Å; P339-F369 HydrophobicContact CG-CG 4.41Å; P339-F369 HydrophobicContact CG-CZ 4.36Å; P339-L372 HydrophobicContact CB-CD1 4.22Å; P339-L372 HydrophobicContact CB-CD2 3.95Å; P339-L372 HydrophobicContact CB-CG 4Å
340	K	93.4	Very high	94.3	Very high	110 Å²	110	39.8 Å²	39.8	48%	0.478	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-60.6	-24.4	177	-66	178.9	-178.8	168.2	0	112.8	D337 F338	D337-K340 HydrophobicContact CB-CD 4.13Å; D337-K340 WeakPolarHBondContact O-CB 3.44Å; D337-K340 WeakPolarHBondContact O-CG 3.4Å; D337-K340 PolarHBondContact O-N 2.94Å; D337-K340 VanDerWaalsContact O-N 3.09Å; D337-K340 WeakPolarHBondContact OD1-CE 3.49Å; D337-K340 IonicContact OD1-NZ 2.69Å; D337-K340 PolarHBondContact OD1-NZ 2.74Å; D337-K340 IonicContact OD2-NZ 2.78Å; D337-K340 PolarHBondContact OD2-NZ 3.46Å; F338-K340 PolarHBondContact O-N 2.88Å; F338-K340 VanDerWaalsContact O-N 3.11Å
341	F	92.9	Very high	94.3	Very high	84 Å²	84	39.3 Å²	39.3	37%	0.368	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-94.2	-7.4	-176.9	-58.4	-85.3	0	0	0	113.3	P310 F313 T314 F338 P339	P310-F341 HydrophobicContact CB-CD2 4.12Å; P310-F341 HydrophobicContact CB-CE2 3.63Å; P310-F341 HydrophobicContact CB-CZ 4.38Å; F313-F341 HydrophobicContact CB-CB 3.96Å; T314-F341 HydrophobicContact CG2-CD1 4.45Å; T314-F341 HydrophobicContact CG2-CE1 4.27Å; F338-F341 PolarHBondContact O-N 3.01Å; F338-F341 VanDerWaalsContact O-N 3.11Å; P339-F341 PolarHBondContact O-N 3.27Å; P339-F341 VanDerWaalsContact O-N 3.17Å
342	L	94.9	Very high	94.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.17	C	C	.	.			trans	-114.9	42.8	-166.8	-66.2	-178.2	0	0	0	113	F313 L319 L322 F338 P339 K344 L345 L372	F313-L342 HydrophobicContact CB-CD2 3.96Å; F313-L342 HydrophobicContact CB-CG 4.35Å; F313-L342 HydrophobicContact CD1-CD1 4.21Å; F313-L342 HydrophobicContact CD1-CD2 3.84Å; F313-L342 HydrophobicContact CD1-CG 4.41Å; F313-L342 HydrophobicContact CE1-CD1 4.41Å; F313-L342 HydrophobicContact CG-CD1 4.33Å; F313-L342 HydrophobicContact CG-CD2 4.05Å; F313-L342 HydrophobicContact CG-CG 4.32Å; L319-L342 HydrophobicContact CB-CD2 4.09Å; L319-L342 HydrophobicContact CD2-CD2 3.84Å; L322-L342 HydrophobicContact CD2-CD1 3.68Å; F338-L342 HydrophobicContact CD2-CD1 3.58Å; F338-L342 HydrophobicContact CE2-CD1 3.75Å; P339-L342 PolarHBondContact O-N 2.6Å; L342-K344 PolarHBondContact O-N 3.06Å; L342-K344 VanDerWaalsContact O-N 3.12Å; L342-L345 HydrophobicContact CB-CB 4.11Å; L342-L345 HydrophobicContact CB-CD2 4.41Å; L342-L345 HydrophobicContact CD1-CD2 4.15Å; L342-L345 VanDerWaalsContact O-CB 3.24Å; L342-L345 WeakPolarHBondContact O-CB 3.33Å; L342-L345 PolarHBondContact O-N 3.05Å; L342-L345 VanDerWaalsContact O-N 3.07Å; L342-L372 HydrophobicContact CB-CD2 3.76Å; L342-L372 WeakPolarHBondContact O-CD2 3.48Å
343	G	92.9	Very high	94.6	Very high	31 Å²	31	30.8 Å²	30.8	32%	0.32	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.1	-175.5	0	0	0	0	0	115.4	S374	G343-S374 WeakPolarHBondContact O-CB 3.42Å; G343-S374 PolarHBondContact O-N 3.01Å; G343-S374 PolarHBondContact O-OG 3.22Å
344	K	96.4	Very high	94.7	Very high	112 Å²	112	32.2 Å²	32.2	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3.3	178.4	-66.6	-171.8	-177.5	177.8	0	114.5	D318 L319 L342 E346	D318-K344 IonicContact OD1-NZ 2.84Å; D318-K344 PolarHBondContact OD1-NZ 3.31Å; L319-K344 CarbonylContact O-C 3.47Å; L342-K344 PolarHBondContact O-N 3.06Å; L342-K344 VanDerWaalsContact O-N 3.12Å; K344-E346 PolarHBondContact O-N 2.84Å
345	L	97.4	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.			trans	-67	128.2	-177.8	-165.6	75.1	0	0	0	110.4	L319 R320 L322 L342 L348 L372 S374 L375	L319-L345 HydrophobicContact CD2-CD1 4.19Å; L319-L345 HydrophobicContact CG-CD1 4.2Å; L319-L345 WeakPolarHBondContact O-CA 3.39Å; L319-L345 PolarHBondContact O-N 2.85Å; R320-L345 WeakPolarHBondContact O-CD1 3.34Å; L322-L345 HydrophobicContact CB-CD1 3.76Å; L322-L345 HydrophobicContact CB-CD2 4.3Å; L342-L345 HydrophobicContact CB-CB 4.11Å; L342-L345 HydrophobicContact CB-CD2 4.41Å; L342-L345 HydrophobicContact CD1-CD2 4.15Å; L342-L345 VanDerWaalsContact O-CB 3.24Å; L342-L345 WeakPolarHBondContact O-CB 3.33Å; L342-L345 PolarHBondContact O-N 3.05Å; L342-L345 VanDerWaalsContact O-N 3.07Å; L345-L348 HydrophobicContact CD2-CB 3.83Å; L345-L348 HydrophobicContact CD2-CD1 4.2Å; L345-L348 HydrophobicContact CD2-CD2 4.34Å; L345-L348 HydrophobicContact CD2-CG 4.34Å; L345-L372 HydrophobicContact CB-CD2 4.31Å; L345-L372 HydrophobicContact CD2-CD2 4.17Å; L345-S374 CarbonylContact O-C 3.43Å; L345-L375 HydrophobicContact CD2-CD1 4.33Å; L345-L375 HydrophobicContact CG-CD1 4.48Å; L345-L375 WeakPolarHBondContact O-CA 3.43Å; L345-L375 PolarHBondContact O-N 3.12Å
346	E	96.3	Very high	94.6	Very high	58 Å²	58	31.8 Å²	31.8	27%	0.271	16%	0.156	S	C	.	.			trans	-99	-40.5	-179.1	-65	169	-173	0	0	110.6	R320 K344 E376 I377	R320-E346 HydrophobicContact CB-CB 4.47Å; R320-E346 HydrophobicContact CB-CG 4.3Å; R320-E346 WeakPolarHBondContact CD-OE1 3.25Å; R320-E346 HydrophobicContact CG-CG 4.44Å; R320-E346 IonicContact CZ-OE1 2.67Å; R320-E346 IonicContact NE-OE1 2.74Å; R320-E346 IonicContact NH1-OE1 3.1Å; R320-E346 PolarHBondContact NH1-OE1 3.11Å; R320-E346 IonicContact NH1-OE2 3.2Å; R320-E346 WeakPolarHBondContact O-CA 3.48Å; R320-E346 PolarHBondContact O-N 3.18Å; K344-E346 PolarHBondContact O-N 2.84Å; E346-E376 WeakPolarHBondContact O-CA 3.44Å; E346-E376 PolarHBondContact O-N 3.41Å; E346-I377 PolarHBondContact O-N 3.25Å
347	E	95.6	Very high	94.7	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.187	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.2	-179.7	-179.4	170.3	153.1	0	0	111.8	R320 V321 L322 I377 R379	R320-E347 PolarHBondContact O-N 3.27Å; V321-E347 WeakPolarHBondContact CA-O 3.07Å; V321-E347 HydrophobicContact CG1-CB 4.27Å; V321-E347 HydrophobicContact CG1-CG 4.41Å; V321-E347 HydrophobicContact CG2-CB 4.23Å; L322-E347 PolarHBondContact N-O 3Å; E347-I377 WeakPolarHBondContact CA-O 3.26Å; E347-I377 HydrophobicContact CB-CB 4.29Å; E347-I377 HydrophobicContact CG-CB 4.09Å; E347-I377 HydrophobicContact CG-CG2 4.16Å; E347-R379 VanDerWaalsContact CD-NH2 3.27Å; E347-R379 IonicContact OE1-CZ 2.91Å; E347-R379 IonicContact OE1-NH1 3.49Å; E347-R379 PolarHBondContact OE1-NH1 3.39Å; E347-R379 IonicContact OE1-NH2 3.81Å; E347-R379 PolarHBondContact OE1-NH2 3.12Å; E347-R379 IonicContact OE2-NH2 3.78Å; E347-R379 PolarHBondContact OE2-NH2 3.18Å
348	L	97.3	Very high	94.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.6	173.7	-179.6	56.7	0	0	0	110.4	L322 L324 L345 L350 F369 L372 L375 I377 L378 R379	L322-L348 HydrophobicContact CB-CD1 4.12Å; L322-L348 HydrophobicContact CD2-CD1 4.03Å; L322-L348 HydrophobicContact CG-CD1 4.07Å; L322-L348 WeakPolarHBondContact O-CA 3.27Å; L324-L348 HydrophobicContact CD1-CD1 4.49Å; L345-L348 HydrophobicContact CD2-CB 3.83Å; L345-L348 HydrophobicContact CD2-CD1 4.2Å; L345-L348 HydrophobicContact CD2-CD2 4.34Å; L345-L348 HydrophobicContact CD2-CG 4.34Å; L348-L350 HydrophobicContact CD1-CD2 4.48Å; L348-L350 HydrophobicContact CD1-CG 4.14Å; L348-L350 HydrophobicContact CD2-CD1 3.93Å; L348-L350 HydrophobicContact CD2-CG 4.42Å; L348-L350 HydrophobicContact CG-CD1 4.11Å; L348-L350 HydrophobicContact CG-CG 4.07Å; L348-F369 HydrophobicContact CD2-CD1 4.5Å; L348-F369 HydrophobicContact CD2-CE1 3.78Å; L348-L372 HydrophobicContact CD2-CD1 3.98Å; L348-L375 HydrophobicContact CB-CD1 3.85Å; L348-I377 PolarHBondContact N-O 3.29Å; L348-L378 HydrophobicContact CB-CD1 4.1Å; L348-L378 HydrophobicContact CD2-CD1 4.03Å; L348-L378 HydrophobicContact CG-CD1 4.07Å; L348-R379 PolarHBondContact O-N 2.76Å
349	D	95.7	Very high	94.8	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.4	173.5	-155.9	-35.4	0	0	0	111	L322 L324 S325 S351 R379 Y475	L322-D349 PolarHBondContact O-N 2.84Å; L324-D349 CarbonylContact C-O 3.48Å; L324-D349 WeakPolarHBondContact CA-O 3.48Å; L324-D349 PolarHBondContact N-O 3.17Å; S325-D349 PolarHBondContact N-O 3.15Å; D349-S351 WeakPolarHBondContact OD1-CB 3.49Å; D349-S351 PolarHBondContact OD1-N 3.29Å; D349-S351 PolarHBondContact OD1-OG 2.95Å; D349-R379 HydrophobicContact CB-CB 4.48Å; D349-R379 WeakPolarHBondContact OD2-CD 3.35Å; D349-R379 IonicContact OD2-NH1 3.85Å; D349-R379 PolarHBondContact OD2-NH1 2.89Å; D349-R379 VanDerWaalsContact OD2-NH1 3.11Å; D349-Y475 WeakPolarHBondContact OD2-CE1 3.5Å; D349-Y475 PolarHBondContact OD2-OH 3.49Å
350	L	96.8	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.232	C	C	.	.			trans	-118.7	21	177.6	-72	168.7	0	0	0	111.2	L324 I333 L348 N353 F369 R379 L380	L324-L350 HydrophobicContact CB-CD2 3.83Å; L324-L350 HydrophobicContact CD1-CD2 3.99Å; I333-L350 HydrophobicContact CD1-CB 4.22Å; I333-L350 HydrophobicContact CD1-CD1 4.23Å; I333-L350 HydrophobicContact CD1-CD2 4.04Å; I333-L350 HydrophobicContact CD1-CG 4.41Å; I333-L350 HydrophobicContact CG1-CD1 4.27Å; I333-L350 HydrophobicContact CG1-CD2 4.17Å; L348-L350 HydrophobicContact CD1-CD2 4.48Å; L348-L350 HydrophobicContact CD1-CG 4.14Å; L348-L350 HydrophobicContact CD2-CD1 3.93Å; L348-L350 HydrophobicContact CD2-CG 4.42Å; L348-L350 HydrophobicContact CG-CD1 4.11Å; L348-L350 HydrophobicContact CG-CG 4.07Å; L350-N353 VanDerWaalsContact C-ND2 3.28Å; L350-N353 PolarHBondContact O-ND2 2.82Å; L350-F369 HydrophobicContact CD1-CE1 3.9Å; L350-F369 HydrophobicContact CD1-CZ 3.81Å; L350-R379 PolarHBondContact N-O 3.4Å; L350-L380 HydrophobicContact CB-CD2 3.73Å; L350-L380 HydrophobicContact CD1-CD2 4.05Å
351	S	95.1	Very high	94.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	152.9	-173.1	-58	0	0	0	0	113.2	S325 S326 D349 N353 K381 Y475	S325-S351 CarbonylContact C-O 3.38Å; S325-S351 WeakPolarHBondContact CA-O 3.49Å; S325-S351 WeakPolarHBondContact CB-O 3.49Å; S326-S351 PolarHBondContact N-O 3.19Å; D349-S351 WeakPolarHBondContact OD1-CB 3.49Å; D349-S351 PolarHBondContact OD1-N 3.29Å; D349-S351 PolarHBondContact OD1-OG 2.95Å; S351-N353 VanDerWaalsContact C-N 3.26Å; S351-N353 PolarHBondContact O-N 3.25Å; S351-N353 PolarHBondContact O-ND2 3.13Å; S351-K381 CarbonylContact C-O 3.54Å; S351-K381 WeakPolarHBondContact CA-O 3.5Å; S351-K381 PolarHBondContact OG-N 3.13Å; S351-Y475 PolarHBondContact OG-OH 2.85Å
352	F	95.5	Very high	94.8	Very high	14 Å²	14	47.8 Å²	47.8	6%	0.061	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	32.3	176.8	-62.4	-83.1	0	0	0	115	R265 Y354 K381 G382 T409 Y475 F476	R265-F352 PolarHBondContact NH1-O 3.03Å; R265-F352 VanDerWaalsContact NH1-O 3.09Å; F352-Y354 HydrophobicContact CB-CE1 4.35Å; F352-Y354 HydrophobicContact CD1-CE1 4.11Å; F352-K381 HydrophobicContact CE2-CB 3.91Å; F352-K381 HydrophobicContact CZ-CB 4.35Å; F352-K381 PolarHBondContact N-O 3.41Å; F352-G382 WeakPolarHBondContact CA-O 3.44Å; F352-T409 HydrophobicContact CE1-CG2 4.27Å; F352-T409 HydrophobicContact CZ-CG2 4.28Å; F352-Y475 AromaticContact CD2-CD1 3.86Å; F352-Y475 HydrophobicContact CD2-CD1 3.86Å; F352-Y475 AromaticContact CD2-CD2 3.84Å; F352-Y475 HydrophobicContact CD2-CD2 3.84Å; F352-Y475 HydrophobicContact CD2-CE2 4.48Å; F352-Y475 AromaticContact CD2-CG 3.45Å; F352-Y475 HydrophobicContact CD2-CG 3.45Å; F352-Y475 VanDerWaalsContact CD2-CG 3.45Å; F352-Y475 HydrophobicContact CE2-CD1 4.16Å; F352-Y475 AromaticContact CE2-CD2 3.25Å; F352-Y475 HydrophobicContact CE2-CD2 3.25Å; F352-Y475 AromaticContact CE2-CE2 3.91Å; F352-Y475 HydrophobicContact CE2-CE2 3.91Å; F352-Y475 AromaticContact CE2-CG 3.37Å; F352-Y475 HydrophobicContact CE2-CG 3.37Å; F352-Y475 HydrophobicContact CZ-CD2 4.26Å; F352-F476 HydrophobicContact CD1-CE2 4.01Å; F352-F476 AromaticContact CD1-CZ 3.57Å; F352-F476 HydrophobicContact CD1-CZ 3.57Å; F352-F476 AromaticContact CE1-CE2 3.48Å; F352-F476 HydrophobicContact CE1-CE2 3.48Å; F352-F476 VanDerWaalsContact CE1-CE2 3.48Å; F352-F476 AromaticContact CE1-CZ 3.42Å; F352-F476 HydrophobicContact CE1-CZ 3.42Å; F352-F476 VanDerWaalsContact CE1-CZ 3.42Å; F352-F476 HydrophobicContact CE2-CE2 4.26Å; F352-F476 HydrophobicContact CG-CZ 4.28Å; F352-F476 AromaticContact CZ-CE2 3.62Å; F352-F476 HydrophobicContact CZ-CE2 3.62Å; F352-F476 HydrophobicContact CZ-CZ 4.05Å
353	N	96.5	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.			trans	-87.5	4.8	176.3	-87.8	-70.1	0	0	0	115.2	L324 N327 F328 L329 A330 I333 L350 S351	L324-N353 PolarHBondContact O-ND2 3.23Å; N327-N353 VanDerWaalsContact CA-OD1 3.28Å; N327-N353 WeakPolarHBondContact CA-OD1 3.41Å; N327-N353 WeakPolarHBondContact CB-OD1 3.16Å; N327-N353 PolarHBondContact N-OD1 2.92Å; N327-N353 WeakPolarHBondContact O-CA 3.41Å; N327-N353 PolarHBondContact O-OD1 3.2Å; F328-N353 PolarHBondContact N-OD1 3.43Å; L329-N353 HydrophobicContact CB-CB 4.24Å; L329-N353 VanDerWaalsContact CB-OD1 3.22Å; L329-N353 WeakPolarHBondContact CB-OD1 3.31Å; L329-N353 VanDerWaalsContact CG-OD1 3.31Å; L329-N353 WeakPolarHBondContact CG-OD1 3.33Å; L329-N353 PolarHBondContact N-OD1 3.49Å; A330-N353 VanDerWaalsContact CB-O 3.24Å; A330-N353 WeakPolarHBondContact CB-O 3.19Å; A330-N353 PolarHBondContact N-O 3.34Å; I333-N353 HydrophobicContact CD1-CB 4.23Å; L350-N353 VanDerWaalsContact C-ND2 3.28Å; L350-N353 PolarHBondContact O-ND2 2.82Å; S351-N353 VanDerWaalsContact C-N 3.26Å; S351-N353 PolarHBondContact O-N 3.25Å; S351-N353 PolarHBondContact O-ND2 3.13Å
354	Y	94.9	Very high	94.7	Very high	30 Å²	30	55.2 Å²	55.2	12%	0.118	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-53.9	147.7	-179	66	-75	0	0	0	114.1	R265 Y267 F352 L356 G382 Y383 V384	R265-Y354 VanDerWaalsContact CZ-O 3.31Å; R265-Y354 PolarHBondContact NH1-O 3.31Å; R265-Y354 PolarHBondContact NH2-O 2.96Å; Y267-Y354 HydrophobicContact CD1-CE2 4.44Å; Y267-Y354 WeakPolarHBondContact CD1-OH 3.21Å; Y267-Y354 HydrophobicContact CE1-CE2 4.31Å; Y267-Y354 WeakPolarHBondContact CE1-OH 3.39Å; F352-Y354 HydrophobicContact CB-CE1 4.35Å; F352-Y354 HydrophobicContact CD1-CE1 4.11Å; Y354-L356 HydrophobicContact CE2-CD2 3.88Å; Y354-G382 VanDerWaalsContact CB-O 3.31Å; Y354-G382 WeakPolarHBondContact CB-O 3.05Å; Y354-G382 WeakPolarHBondContact CD1-O 3.4Å; Y354-G382 PolarHBondContact N-O 2.93Å; Y354-Y383 WeakPolarHBondContact CB-O 3.29Å; Y354-V384 HydrophobicContact CD1-CG2 4.37Å; Y354-V384 HydrophobicContact CD2-CG2 4.37Å; Y354-V384 HydrophobicContact CG-CG2 3.92Å
355	E	92.6	Very high	94.6	Very high	39 Å²	39	50.8 Å²	50.8	18%	0.182	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-77.2	137.5	167.4	-78.3	173.3	-129.6	0	0	110.8	A330 R331 Q357 R358	A330-E355 HydrophobicContact CB-CG 4.43Å; R331-E355 WeakPolarHBondContact CD-OE1 3.28Å; R331-E355 WeakPolarHBondContact CG-OE1 3.38Å; R331-E355 IonicContact CZ-OE1 3.57Å; R331-E355 IonicContact CZ-OE2 2.74Å; R331-E355 VanDerWaalsContact NE-CD 3.28Å; R331-E355 IonicContact NE-OE1 2.76Å; R331-E355 PolarHBondContact NE-OE1 2.82Å; R331-E355 IonicContact NE-OE2 3.72Å; R331-E355 PolarHBondContact NE-OE2 3.18Å; R331-E355 IonicContact NH2-OE1 3.4Å; R331-E355 IonicContact NH2-OE2 3.88Å; R331-E355 PolarHBondContact NH2-OE2 3.25Å; E355-Q357 PolarHBondContact O-N 3.08Å; E355-R358 HydrophobicContact CB-CB 3.78Å; E355-R358 VanDerWaalsContact CD-NH1 3.32Å; E355-R358 PolarHBondContact O-N 3.01Å; E355-R358 IonicContact OE1-NH1 3.52Å; E355-R358 PolarHBondContact OE1-NH1 2.82Å; E355-R358 WeakPolarHBondContact OE2-CD 3.33Å; E355-R358 IonicContact OE2-CZ 3.73Å; E355-R358 IonicContact OE2-NE 3.41Å; E355-R358 IonicContact OE2-NH1 2.8Å; E355-R358 PolarHBondContact OE2-NH1 3.25Å
356	L	91	Very high	94.5	Very high	78 Å²	78	51.9 Å²	51.9	41%	0.408	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	136.5	175.6	-60.5	-179.5	0	0	0	110.1	Y267 Y354 R358	Y267-L356 HydrophobicContact CD1-CD2 3.66Å; Y267-L356 HydrophobicContact CD2-CD1 4.21Å; Y267-L356 HydrophobicContact CD2-CD2 3.76Å; Y267-L356 HydrophobicContact CE1-CD2 3.9Å; Y267-L356 HydrophobicContact CE2-CD2 4.02Å; Y267-L356 HydrophobicContact CG-CD2 3.56Å; Y354-L356 HydrophobicContact CE2-CD2 3.88Å; L356-R358 PolarHBondContact O-N 2.9Å; L356-R358 VanDerWaalsContact O-N 3.11Å
357	Q	91.9	Very high	94.5	Very high	208 Å²	208	53.3 Å²	53.3	97%	0.972	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	16.1	177.6	-53.4	176.5	-3	0	0	115.2	E355	E355-Q357 PolarHBondContact O-N 3.08Å
358	R	93.9	Very high	94.4	Very high	120 Å²	120	51.5 Å²	51.5	45%	0.453	24%	0.242	S	C	.	.			trans	-115.9	138.1	177	-163.7	175.5	-175.8	179.8	2.5	111.3	E355 L356	E355-R358 HydrophobicContact CB-CB 3.78Å; E355-R358 VanDerWaalsContact CD-NH1 3.32Å; E355-R358 PolarHBondContact O-N 3.01Å; E355-R358 IonicContact OE1-NH1 3.52Å; E355-R358 PolarHBondContact OE1-NH1 2.82Å; E355-R358 WeakPolarHBondContact OE2-CD 3.33Å; E355-R358 IonicContact OE2-CZ 3.73Å; E355-R358 IonicContact OE2-NE 3.41Å; E355-R358 IonicContact OE2-NH1 2.8Å; E355-R358 PolarHBondContact OE2-NH1 3.25Å; L356-R358 PolarHBondContact O-N 2.9Å; L356-R358 VanDerWaalsContact O-N 3.11Å
359	Y	95	Very high	94.4	Very high	72 Å²	72	51.5 Å²	51.5	28%	0.282	24%	0.242	S	C	.	.			trans	-133.6	78.2	179.7	-171.4	-157.1	0	0	0	111.4	V384 F385 Q386 F411 K413	Y359-V384 HydrophobicContact CD2-CG1 3.71Å; Y359-V384 HydrophobicContact CE2-CG1 4.1Å; Y359-F385 WeakPolarHBondContact CE2-O 3.35Å; Y359-Q386 HydrophobicContact CD1-CG 3.74Å; Y359-Q386 HydrophobicContact CD2-CG 3.89Å; Y359-Q386 HydrophobicContact CE1-CG 3.46Å; Y359-Q386 VanDerWaalsContact CE1-CG 3.46Å; Y359-Q386 HydrophobicContact CE2-CB 4.39Å; Y359-Q386 HydrophobicContact CE2-CG 3.65Å; Y359-Q386 HydrophobicContact CG-CG 3.94Å; Y359-Q386 VanDerWaalsContact CZ-CG 3.41Å; Y359-Q386 PolarHBondContact O-NE2 2.83Å; Y359-F411 HydrophobicContact CE2-CB 4.3Å; Y359-F411 PolarHBondContact OH-O 3.36Å; Y359-K413 WeakPolarHBondContact OH-CE 3.28Å
360	P	94.4	Very high	94.3	Very high	39 Å²	39	53.5 Å²	53.5	25%	0.253	26%	0.256	S	S	.	.			trans	-56.8	151.8	-176.9	23.2	-36	0	0	0	113.4	T362 Y383 V384 F385 Q386	P360-T362 PolarHBondContact O-N 2.96Å; P360-Y383 HydrophobicContact CG-CE1 4.24Å; P360-V384 WeakPolarHBondContact CD-O 3.47Å; P360-V384 VanDerWaalsContact CG-O 3.27Å; P360-V384 WeakPolarHBondContact CG-O 3.48Å; P360-F385 HydrophobicContact CG-CB 4.15Å; P360-F385 VanDerWaalsContact O-CA 3.32Å; P360-F385 WeakPolarHBondContact O-CA 2.88Å; P360-Q386 PolarHBondContact O-N 3.18Å
361	Q	92.9	Very high	94.2	Very high	136 Å²	136	55.6 Å²	55.6	64%	0.636	27%	0.271	S	S	*	.	S	Bend	trans	-64.6	-38.8	179.2	-74	-170.9	-11.4	0	0	113	Q387	Q361-Q387 PolarHBondContact O-N 2.78Å
362	T	93.8	Very high	94.2	Very high	23 Å²	23	55.6 Å²	55.6	14%	0.141	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-147	157.6	-174.5	-168.2	0	0	0	0	111.5	P360 R364 Q387 S392	P360-T362 PolarHBondContact O-N 2.96Å; T362-R364 HydrophobicContact CG2-CG 4.28Å; T362-Q387 WeakPolarHBondContact CA-O 3.35Å; T362-Q387 PolarHBondContact OG1-O 3.34Å; T362-S392 PolarHBondContact OG1-OG 2.83Å
363	L	94.2	Very high	94.2	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	29%	0.294	C	S	.	.			trans	-72.7	131.8	168.7	173.2	66.4	0	0	0	109.7	L365 L380 Y383 F385 S392 L407	L363-L365 HydrophobicContact CD1-CD2 4.08Å; L363-L365 HydrophobicContact CD1-CG 4.45Å; L363-L365 HydrophobicContact CD2-CD1 4.46Å; L363-L365 HydrophobicContact CD2-CG 4.4Å; L363-L365 HydrophobicContact CG-CD2 4.41Å; L363-L365 HydrophobicContact CG-CG 4.25Å; L363-L380 HydrophobicContact CD2-CD1 4.17Å; L363-Y383 HydrophobicContact CD1-CD1 3.8Å; L363-Y383 HydrophobicContact CD1-CD2 3.76Å; L363-Y383 HydrophobicContact CD1-CE1 3.73Å; L363-Y383 HydrophobicContact CD1-CE2 3.68Å; L363-Y383 HydrophobicContact CD1-CG 3.82Å; L363-F385 HydrophobicContact CB-CD1 4.21Å; L363-F385 HydrophobicContact CB-CD2 4.11Å; L363-F385 HydrophobicContact CB-CE1 4.08Å; L363-F385 HydrophobicContact CB-CE2 3.99Å; L363-F385 HydrophobicContact CB-CG 4.21Å; L363-F385 HydrophobicContact CB-CZ 3.96Å; L363-F385 HydrophobicContact CD2-CZ 4.43Å; L363-S392 WeakPolarHBondContact O-CA 3.39Å; L363-S392 PolarHBondContact O-OG 2.71Å; L363-S392 VanDerWaalsContact O-OG 3.06Å; L363-L407 HydrophobicContact CD2-CD2 4.16Å
364	R	92.6	Very high	94.2	Very high	184 Å²	184	62.1 Å²	62.1	69%	0.694	31%	0.307	S	S	*	.			trans	-121.3	118.7	175.2	-68.2	-173.6	176.3	-173.2	-1.7	109.4	T362	T362-R364 HydrophobicContact CG2-CG 4.28Å
365	L	94.6	Very high	94.3	Very high	19 Å²	19	60.7 Å²	60.7	10%	0.099	30%	0.302	C	S	.	.			trans	-111.8	138.6	173	-60.7	179.2	0	0	0	108.6	I333 L363 F369 L380 P395 L396	I333-L365 HydrophobicContact CG2-CD2 3.58Å; L363-L365 HydrophobicContact CD1-CD2 4.08Å; L363-L365 HydrophobicContact CD1-CG 4.45Å; L363-L365 HydrophobicContact CD2-CD1 4.46Å; L363-L365 HydrophobicContact CD2-CG 4.4Å; L363-L365 HydrophobicContact CG-CD2 4.41Å; L363-L365 HydrophobicContact CG-CG 4.25Å; L365-F369 HydrophobicContact CB-CD2 4.25Å; L365-F369 HydrophobicContact CD2-CE2 4.45Å; L365-F369 HydrophobicContact CD2-CZ 4.34Å; L365-L380 HydrophobicContact CD1-CD1 4.36Å; L365-L380 HydrophobicContact CD2-CD1 4.37Å; L365-P395 HydrophobicContact CB-CG 4.09Å; L365-L396 HydrophobicContact CD1-CD1 4.02Å; L365-L396 HydrophobicContact CD1-CD2 4.15Å; L365-L396 HydrophobicContact CD1-CG 4.09Å
366	N	94.9	Very high	94.4	Very high	23 Å²	23	62.9 Å²	62.9	12%	0.123	31%	0.312	C	S	.	.			trans	-61.9	149.3	172.3	-171	-36.9	0	0	0	110.2	I333 T335 T336 D337 S368 F369	I333-N366 PolarHBondContact O-N 3.26Å; T335-N366 PolarHBondContact O-ND2 2.79Å; T336-N366 PolarHBondContact O-ND2 2.88Å; D337-N366 PolarHBondContact OD1-ND2 2.92Å; N366-S368 WeakPolarHBondContact CB-OG 2.86Å; N366-S368 PolarHBondContact O-N 3.1Å; N366-S368 PolarHBondContact OD1-N 2.98Å; N366-S368 PolarHBondContact OD1-OG 2.58Å; N366-F369 HydrophobicContact CB-CD2 4.41Å; N366-F369 WeakPolarHBondContact O-CD2 3.38Å; N366-F369 PolarHBondContact O-N 2.74Å
367	S	94.8	Very high	94.5	Very high	87 Å²	87	60.7 Å²	60.7	61%	0.608	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-60.1	-22.7	173.8	60.9	0	0	0	0	113.2	F369 S370	S367-F369 PolarHBondContact O-N 3.25Å; S367-S370 WeakPolarHBondContact O-CB 3.4Å; S367-S370 PolarHBondContact O-N 2.67Å; S367-S370 VanDerWaalsContact O-N 3.11Å; S367-S370 PolarHBondContact O-OG 3.09Å
368	S	95.1	Very high	94.7	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.021	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-56	-26	174.3	61.8	0	0	0	0	114.1	T336 P339 N366 S370 S371	T336-S368 PolarHBondContact O-OG 2.96Å; T336-S368 VanDerWaalsContact O-OG 3.08Å; P339-S368 WeakPolarHBondContact CB-O 3.45Å; N366-S368 WeakPolarHBondContact CB-OG 2.86Å; N366-S368 PolarHBondContact O-N 3.1Å; N366-S368 PolarHBondContact OD1-N 2.98Å; N366-S368 PolarHBondContact OD1-OG 2.58Å; S368-S370 PolarHBondContact O-N 3.49Å; S368-S370 VanDerWaalsContact O-N 3.11Å; S368-S371 VanDerWaalsContact O-CB 3.26Å; S368-S371 WeakPolarHBondContact O-CB 3.43Å; S368-S371 PolarHBondContact O-N 3.38Å; S368-S371 PolarHBondContact O-OG 3.12Å
369	F	95.5	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.2	175.6	-83.6	-100.3	0	0	0	113.5	I333 P339 L348 L350 L365 N366 S367 S371 L372 P395 L396	I333-F369 HydrophobicContact CG2-CE2 4.18Å; I333-F369 HydrophobicContact CG2-CZ 4.01Å; P339-F369 HydrophobicContact CG-CD2 4.04Å; P339-F369 HydrophobicContact CG-CE2 4.02Å; P339-F369 HydrophobicContact CG-CG 4.41Å; P339-F369 HydrophobicContact CG-CZ 4.36Å; L348-F369 HydrophobicContact CD2-CD1 4.5Å; L348-F369 HydrophobicContact CD2-CE1 3.78Å; L350-F369 HydrophobicContact CD1-CE1 3.9Å; L350-F369 HydrophobicContact CD1-CZ 3.81Å; L365-F369 HydrophobicContact CB-CD2 4.25Å; L365-F369 HydrophobicContact CD2-CE2 4.45Å; L365-F369 HydrophobicContact CD2-CZ 4.34Å; N366-F369 HydrophobicContact CB-CD2 4.41Å; N366-F369 WeakPolarHBondContact O-CD2 3.38Å; N366-F369 PolarHBondContact O-N 2.74Å; S367-F369 PolarHBondContact O-N 3.25Å; F369-S371 PolarHBondContact O-N 3.43Å; F369-L372 HydrophobicContact CD1-CD1 3.92Å; F369-L372 HydrophobicContact CE1-CD1 4.48Å; F369-L372 PolarHBondContact O-N 3.13Å; F369-P395 HydrophobicContact CB-CB 3.97Å; F369-L396 HydrophobicContact CB-CD2 4.44Å
370	S	94.5	Very high	94.7	Very high	43 Å²	43	42.3 Å²	42.3	30%	0.301	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-66.8	-12.7	173.6	65	0	0	0	0	113.9	S367 S368 P395	S367-S370 WeakPolarHBondContact O-CB 3.4Å; S367-S370 PolarHBondContact O-N 2.67Å; S367-S370 VanDerWaalsContact O-N 3.11Å; S367-S370 PolarHBondContact O-OG 3.09Å; S368-S370 PolarHBondContact O-N 3.49Å; S368-S370 VanDerWaalsContact O-N 3.11Å; S370-P395 WeakPolarHBondContact CA-O 3.03Å; S370-P395 WeakPolarHBondContact CB-O 3.32Å
371	S	95.1	Very high	94.7	Very high	45 Å²	45	41.2 Å²	41.2	32%	0.315	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-81.3	-9.8	176.7	-56.6	0	0	0	0	114.1	S368 F369 M373	S368-S371 VanDerWaalsContact O-CB 3.26Å; S368-S371 WeakPolarHBondContact O-CB 3.43Å; S368-S371 PolarHBondContact O-N 3.38Å; S368-S371 PolarHBondContact O-OG 3.12Å; F369-S371 PolarHBondContact O-N 3.43Å; S371-M373 PolarHBondContact O-N 2.73Å
372	L	95.6	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.			trans	-80.4	63.4	-178.3	-58.7	173.3	0	0	0	111.6	P339 L342 L345 L348 F369 S374 L375 L399	P339-L372 HydrophobicContact CB-CD1 4.22Å; P339-L372 HydrophobicContact CB-CD2 3.95Å; P339-L372 HydrophobicContact CB-CG 4Å; L342-L372 HydrophobicContact CB-CD2 3.76Å; L342-L372 WeakPolarHBondContact O-CD2 3.48Å; L345-L372 HydrophobicContact CB-CD2 4.31Å; L345-L372 HydrophobicContact CD2-CD2 4.17Å; L348-L372 HydrophobicContact CD2-CD1 3.98Å; F369-L372 HydrophobicContact CD1-CD1 3.92Å; F369-L372 HydrophobicContact CE1-CD1 4.48Å; F369-L372 PolarHBondContact O-N 3.13Å; L372-S374 VanDerWaalsContact C-N 3.26Å; L372-S374 PolarHBondContact O-N 3.32Å; L372-L375 HydrophobicContact CB-CB 3.88Å; L372-L375 HydrophobicContact CB-CD2 4.24Å; L372-L375 HydrophobicContact CD1-CD1 4.49Å; L372-L375 HydrophobicContact CD1-CD2 3.93Å; L372-L375 WeakPolarHBondContact O-CB 3.24Å; L372-L375 PolarHBondContact O-N 2.75Å; L372-L399 WeakPolarHBondContact O-CD2 3.47Å
373	M	94.3	Very high	94.7	Very high	110 Å²	110	34.5 Å²	34.5	54%	0.542	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.2	-168.3	-61.9	-63.3	-94.9	0	0	114.3	S371 P400	S371-M373 PolarHBondContact O-N 2.73Å; M373-P400 WeakPolarHBondContact O-CG 3.13Å
374	S	96.4	Very high	94.8	Very high	40 Å²	40	35.2 Å²	35.2	28%	0.28	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1	176.5	-66.7	0	0	0	0	114.5	G343 L345 L372 E376	G343-S374 WeakPolarHBondContact O-CB 3.42Å; G343-S374 PolarHBondContact O-N 3.01Å; G343-S374 PolarHBondContact O-OG 3.22Å; L345-S374 CarbonylContact O-C 3.43Å; L372-S374 VanDerWaalsContact C-N 3.26Å; L372-S374 PolarHBondContact O-N 3.32Å; S374-E376 PolarHBondContact O-N 2.66Å
375	L	96.8	Very high	94.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.151	C	C	.	.			trans	-66.1	122.9	-171.5	-167	72.4	0	0	0	111.6	L345 L348 L372 L378 L399 N401 L402	L345-L375 HydrophobicContact CD2-CD1 4.33Å; L345-L375 HydrophobicContact CG-CD1 4.48Å; L345-L375 WeakPolarHBondContact O-CA 3.43Å; L345-L375 PolarHBondContact O-N 3.12Å; L348-L375 HydrophobicContact CB-CD1 3.85Å; L372-L375 HydrophobicContact CB-CB 3.88Å; L372-L375 HydrophobicContact CB-CD2 4.24Å; L372-L375 HydrophobicContact CD1-CD1 4.49Å; L372-L375 HydrophobicContact CD1-CD2 3.93Å; L372-L375 WeakPolarHBondContact O-CB 3.24Å; L372-L375 PolarHBondContact O-N 2.75Å; L375-L378 HydrophobicContact CD2-CB 4.09Å; L375-L399 HydrophobicContact CD2-CD1 4.01Å; L375-N401 CarbonylContact O-C 3.16Å; L375-L402 HydrophobicContact CD2-CD1 4.21Å; L375-L402 HydrophobicContact CG-CD1 4.35Å; L375-L402 VanDerWaalsContact O-CA 3.23Å; L375-L402 WeakPolarHBondContact O-CA 3.03Å; L375-L402 PolarHBondContact O-N 2.81Å; L375-L402 VanDerWaalsContact O-N 3.08Å
376	E	94.7	Very high	94.9	Very high	84 Å²	84	28.9 Å²	28.9	39%	0.393	16%	0.162	S	C	.	.			trans	-104.1	-41.1	177.3	-60.3	-172	179.9	0	0	111.5	E346 S374 N401 T403 V404	E346-E376 WeakPolarHBondContact O-CA 3.44Å; E346-E376 PolarHBondContact O-N 3.41Å; S374-E376 PolarHBondContact O-N 2.66Å; E376-N401 WeakPolarHBondContact CA-O 3.33Å; E376-N401 HydrophobicContact CG-CB 4.43Å; E376-T403 PolarHBondContact O-N 2.66Å; E376-T403 PolarHBondContact O-OG1 3.09Å; E376-T403 VanDerWaalsContact O-OG1 3.1Å; E376-V404 PolarHBondContact O-N 2.91Å
377	I	93.8	Very high	94.8	Very high	33 Å²	33	30.5 Å²	30.5	17%	0.169	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.3	-173.6	-56.3	177.9	0	0	0	109.9	E346 E347 L348 R379 V404	E346-I377 PolarHBondContact O-N 3.25Å; E347-I377 WeakPolarHBondContact CA-O 3.26Å; E347-I377 HydrophobicContact CB-CB 4.29Å; E347-I377 HydrophobicContact CG-CB 4.09Å; E347-I377 HydrophobicContact CG-CG2 4.16Å; L348-I377 PolarHBondContact N-O 3.29Å; I377-R379 HydrophobicContact CG2-CG 3.99Å; I377-V404 HydrophobicContact CB-CB 4.39Å; I377-V404 HydrophobicContact CG1-CB 4.09Å; I377-V404 HydrophobicContact CG1-CG2 4.17Å; I377-V404 HydrophobicContact CG2-CB 4.2Å; I377-V404 HydrophobicContact CG2-CG1 4.34Å
378	L	95.8	Very high	94.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.7	170.6	-179.5	59	0	0	0	110.3	L348 L375 L380 L396 L402 V404 L405 D406	L348-L378 HydrophobicContact CB-CD1 4.1Å; L348-L378 HydrophobicContact CD2-CD1 4.03Å; L348-L378 HydrophobicContact CG-CD1 4.07Å; L375-L378 HydrophobicContact CD2-CB 4.09Å; L378-L380 HydrophobicContact CD1-CD1 4.41Å; L378-L380 HydrophobicContact CD1-CG 4.25Å; L378-L380 HydrophobicContact CD2-CD1 3.88Å; L378-L380 HydrophobicContact CG-CD1 4.01Å; L378-L380 HydrophobicContact CG-CG 4.17Å; L378-L396 HydrophobicContact CD2-CD1 3.78Å; L378-L396 HydrophobicContact CD2-CD2 3.68Å; L378-L396 HydrophobicContact CD2-CG 4.4Å; L378-L402 HydrophobicContact CB-CD1 3.98Å; L378-V404 PolarHBondContact N-O 3.18Å; L378-L405 HydrophobicContact CB-CD1 4.29Å; L378-L405 HydrophobicContact CD2-CD1 4.09Å; L378-L405 HydrophobicContact CG-CD1 4.24Å; L378-D406 PolarHBondContact O-N 2.9Å
379	R	94.6	Very high	94.4	Very high	12 Å²	12	29.4 Å²	29.4	5%	0.045	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.2	175.4	-49.9	-165.1	-164.3	105.5	7.2	110.9	E347 L348 D349 L350 I377 D406 Y475	E347-R379 VanDerWaalsContact CD-NH2 3.27Å; E347-R379 IonicContact OE1-CZ 2.91Å; E347-R379 IonicContact OE1-NH1 3.49Å; E347-R379 PolarHBondContact OE1-NH1 3.39Å; E347-R379 IonicContact OE1-NH2 3.81Å; E347-R379 PolarHBondContact OE1-NH2 3.12Å; E347-R379 IonicContact OE2-NH2 3.78Å; E347-R379 PolarHBondContact OE2-NH2 3.18Å; L348-R379 PolarHBondContact O-N 2.76Å; D349-R379 HydrophobicContact CB-CB 4.48Å; D349-R379 WeakPolarHBondContact OD2-CD 3.35Å; D349-R379 IonicContact OD2-NH1 3.85Å; D349-R379 PolarHBondContact OD2-NH1 2.89Å; D349-R379 VanDerWaalsContact OD2-NH1 3.11Å; L350-R379 PolarHBondContact N-O 3.4Å; I377-R379 HydrophobicContact CG2-CG 3.99Å; R379-D406 HydrophobicContact CB-CB 4.25Å; R379-D406 HydrophobicContact CG-CB 4.12Å; R379-Y475 VanDerWaalsContact CD-OH 3.25Å; R379-Y475 WeakPolarHBondContact CD-OH 3.4Å
380	L	95.5	Very high	94.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.17	C	C	.	.			trans	-134.6	40	-176.1	-75.6	166.6	0	0	0	109.9	L350 L363 L365 L378 D406 L407 N410	L350-L380 HydrophobicContact CB-CD2 3.73Å; L350-L380 HydrophobicContact CD1-CD2 4.05Å; L363-L380 HydrophobicContact CD2-CD1 4.17Å; L365-L380 HydrophobicContact CD1-CD1 4.36Å; L365-L380 HydrophobicContact CD2-CD1 4.37Å; L378-L380 HydrophobicContact CD1-CD1 4.41Å; L378-L380 HydrophobicContact CD1-CG 4.25Å; L378-L380 HydrophobicContact CD2-CD1 3.88Å; L378-L380 HydrophobicContact CG-CD1 4.01Å; L378-L380 HydrophobicContact CG-CG 4.17Å; L380-D406 CarbonylContact C-O 3.48Å; L380-D406 PolarHBondContact N-O 2.89Å; L380-L407 HydrophobicContact CB-CD2 3.85Å; L380-L407 HydrophobicContact CD1-CD2 4.21Å; L380-N410 PolarHBondContact O-ND2 2.92Å; L380-N410 PolarHBondContact O-OD1 3.41Å
381	K	92.8	Very high	94	Very high	16 Å²	16	36 Å²	36	7%	0.07	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	152.8	177.3	-69.1	177.7	136.3	142.4	0	110.6	S351 F352 Y383 D406 G408 Y475	S351-K381 CarbonylContact C-O 3.54Å; S351-K381 WeakPolarHBondContact CA-O 3.5Å; S351-K381 PolarHBondContact OG-N 3.13Å; F352-K381 HydrophobicContact CE2-CB 3.91Å; F352-K381 HydrophobicContact CZ-CB 4.35Å; F352-K381 PolarHBondContact N-O 3.41Å; K381-Y383 PolarHBondContact O-N 2.81Å; K381-D406 WeakPolarHBondContact CD-OD2 3.24Å; K381-D406 WeakPolarHBondContact CE-OD1 3.45Å; K381-D406 WeakPolarHBondContact CE-OD2 3.38Å; K381-D406 WeakPolarHBondContact CG-OD1 3.23Å; K381-D406 IonicContact NZ-OD1 3.28Å; K381-D406 IonicContact NZ-OD2 2.76Å; K381-D406 PolarHBondContact NZ-OD2 2.71Å; K381-G408 WeakPolarHBondContact CA-O 3.13Å; K381-G408 WeakPolarHBondContact CB-O 3.46Å; K381-G408 WeakPolarHBondContact CG-O 3.24Å; K381-Y475 HydrophobicContact CD-CD2 4.42Å; K381-Y475 HydrophobicContact CD-CE2 3.56Å
382	G	92.8	Very high	93.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	31.8	172.5	0	0	0	0	0	114.5	F352 Y354 V384 G408 T409 N410	F352-G382 WeakPolarHBondContact CA-O 3.44Å; Y354-G382 VanDerWaalsContact CB-O 3.31Å; Y354-G382 WeakPolarHBondContact CB-O 3.05Å; Y354-G382 WeakPolarHBondContact CD1-O 3.4Å; Y354-G382 PolarHBondContact N-O 2.93Å; G382-V384 VanDerWaalsContact C-N 3.31Å; G382-G408 PolarHBondContact N-O 2.94Å; G382-T409 VanDerWaalsContact CA-O 3.25Å; G382-T409 WeakPolarHBondContact CA-O 3.22Å; G382-T409 PolarHBondContact N-O 3.02Å; G382-T409 VanDerWaalsContact N-O 3.16Å; G382-N410 PolarHBondContact N-OD1 3.07Å
383	Y	94.3	Very high	93.7	Very high	17 Å²	17	33.9 Å²	33.9	7%	0.067	17%	0.169	C	C	.	.			trans	-73.3	-31.4	162.2	-173.7	-81.9	0	0	0	110.4	A330 I333 Y354 P360 L363 K381 F385 N410	A330-Y383 HydrophobicContact CB-CE2 4.29Å; A330-Y383 PolarHBondContact O-OH 3.31Å; I333-Y383 HydrophobicContact CD1-CE2 4.37Å; Y354-Y383 WeakPolarHBondContact CB-O 3.29Å; P360-Y383 HydrophobicContact CG-CE1 4.24Å; L363-Y383 HydrophobicContact CD1-CD1 3.8Å; L363-Y383 HydrophobicContact CD1-CD2 3.76Å; L363-Y383 HydrophobicContact CD1-CE1 3.73Å; L363-Y383 HydrophobicContact CD1-CE2 3.68Å; L363-Y383 HydrophobicContact CD1-CG 3.82Å; K381-Y383 PolarHBondContact O-N 2.81Å; Y383-F385 HydrophobicContact CD1-CB 4.27Å; Y383-F385 AromaticContact CD1-CD1 3.76Å; Y383-F385 HydrophobicContact CD1-CD1 3.76Å; Y383-F385 HydrophobicContact CD1-CG 4.37Å; Y383-F385 HydrophobicContact CG-CD1 4.44Å; Y383-N410 WeakPolarHBondContact CA-OD1 3.18Å; Y383-N410 VanDerWaalsContact CB-OD1 3.28Å; Y383-N410 WeakPolarHBondContact CB-OD1 3.49Å; Y383-N410 PolarHBondContact N-OD1 2.84Å
384	V	95.5	Very high	93.6	Very high	21 Å²	21	31 Å²	31	13%	0.127	16%	0.162	C	C	.	.			trans	66.4	92	173.9	-174.3	0	0	0	0	112.5	Y354 Y359 P360 G382 N410 F411	Y354-V384 HydrophobicContact CD1-CG2 4.37Å; Y354-V384 HydrophobicContact CD2-CG2 4.37Å; Y354-V384 HydrophobicContact CG-CG2 3.92Å; Y359-V384 HydrophobicContact CD2-CG1 3.71Å; Y359-V384 HydrophobicContact CE2-CG1 4.1Å; P360-V384 WeakPolarHBondContact CD-O 3.47Å; P360-V384 VanDerWaalsContact CG-O 3.27Å; P360-V384 WeakPolarHBondContact CG-O 3.48Å; G382-V384 VanDerWaalsContact C-N 3.31Å; V384-N410 CarbonylContact C-O 3.5Å; V384-N410 WeakPolarHBondContact CA-O 3.39Å; V384-N410 PolarHBondContact N-OD1 3.43Å; V384-F411 HydrophobicContact CG1-CD2 4.05Å; V384-F411 HydrophobicContact CG2-CD2 4.1Å; V384-F411 HydrophobicContact CG2-CE2 4.33Å
385	F	95.6	Very high	93.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.			trans	-147.2	154.9	-178.2	64.6	-82.5	0	0	0	113	Y359 P360 L363 Y383 Q387 L388 N410 I412	Y359-F385 WeakPolarHBondContact CE2-O 3.35Å; P360-F385 HydrophobicContact CG-CB 4.15Å; P360-F385 VanDerWaalsContact O-CA 3.32Å; P360-F385 WeakPolarHBondContact O-CA 2.88Å; L363-F385 HydrophobicContact CB-CD1 4.21Å; L363-F385 HydrophobicContact CB-CD2 4.11Å; L363-F385 HydrophobicContact CB-CE1 4.08Å; L363-F385 HydrophobicContact CB-CE2 3.99Å; L363-F385 HydrophobicContact CB-CG 4.21Å; L363-F385 HydrophobicContact CB-CZ 3.96Å; L363-F385 HydrophobicContact CD2-CZ 4.43Å; Y383-F385 HydrophobicContact CD1-CB 4.27Å; Y383-F385 AromaticContact CD1-CD1 3.76Å; Y383-F385 HydrophobicContact CD1-CD1 3.76Å; Y383-F385 HydrophobicContact CD1-CG 4.37Å; Y383-F385 HydrophobicContact CG-CD1 4.44Å; F385-Q387 WeakPolarHBondContact CD2-O 3.35Å; F385-L388 HydrophobicContact CE2-CB 4.19Å; F385-L388 HydrophobicContact CE2-CD1 3.92Å; F385-L388 HydrophobicContact CZ-CD1 4.03Å; F385-N410 HydrophobicContact CD1-CB 4.03Å; F385-N410 HydrophobicContact CE1-CB 3.72Å; F385-N410 HydrophobicContact CZ-CB 4.48Å; F385-N410 PolarHBondContact N-O 3.04Å; F385-I412 HydrophobicContact CD2-CG1 4.25Å; F385-I412 HydrophobicContact CE1-CD1 4.05Å; F385-I412 HydrophobicContact CE1-CG1 4.08Å; F385-I412 HydrophobicContact CE2-CD1 3.87Å; F385-I412 HydrophobicContact CE2-CG1 3.74Å; F385-I412 HydrophobicContact CZ-CD1 3.43Å; F385-I412 VanDerWaalsContact CZ-CD1 3.43Å; F385-I412 HydrophobicContact CZ-CG1 3.66Å; F385-I412 WeakPolarHBondContact O-CA 3.32Å
386	Q	93.8	Very high	93.4	Very high	69 Å²	69	29.9 Å²	29.9	32%	0.322	15%	0.154	S	C	.	.	S	Bend	trans	-79	-47	-168	-65.3	178.3	43.6	0	0	114	Y359 P360 K413 M414	Y359-Q386 HydrophobicContact CD1-CG 3.74Å; Y359-Q386 HydrophobicContact CD2-CG 3.89Å; Y359-Q386 HydrophobicContact CE1-CG 3.46Å; Y359-Q386 VanDerWaalsContact CE1-CG 3.46Å; Y359-Q386 HydrophobicContact CE2-CB 4.39Å; Y359-Q386 HydrophobicContact CE2-CG 3.65Å; Y359-Q386 HydrophobicContact CG-CG 3.94Å; Y359-Q386 VanDerWaalsContact CZ-CG 3.41Å; Y359-Q386 PolarHBondContact O-NE2 2.83Å; P360-Q386 PolarHBondContact O-N 3.18Å; Q386-K413 PolarHBondContact O-N 3.18Å; Q386-M414 PolarHBondContact O-N 2.83Å
387	Q	93.2	Very high	93.3	Very high	58 Å²	58	29.2 Å²	29.2	27%	0.271	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.6	-171.8	-178.8	178.4	18.8	0	0	111.7	Q361 T362 F385 K389 M414	Q361-Q387 PolarHBondContact O-N 2.78Å; T362-Q387 WeakPolarHBondContact CA-O 3.35Å; T362-Q387 PolarHBondContact OG1-O 3.34Å; F385-Q387 WeakPolarHBondContact CD2-O 3.35Å; Q387-K389 HydrophobicContact CG-CG 3.94Å; Q387-M414 CarbonylContact C-O 3.02Å; Q387-M414 VanDerWaalsContact CA-O 3.29Å; Q387-M414 WeakPolarHBondContact CA-O 3.22Å; Q387-M414 HydrophobicContact CB-CB 4.19Å; Q387-M414 HydrophobicContact CG-CB 3.87Å
388	L	91.8	Very high	93	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116	169.1	-170.4	71.3	0	0	0	109.9	F385 I393 L407 I412 M414 A415 I419 L420	F385-L388 HydrophobicContact CE2-CB 4.19Å; F385-L388 HydrophobicContact CE2-CD1 3.92Å; F385-L388 HydrophobicContact CZ-CD1 4.03Å; L388-I393 HydrophobicContact CD1-CG2 4.43Å; L388-L407 HydrophobicContact CD1-CD1 4.25Å; L388-L407 HydrophobicContact CD2-CD1 4.42Å; L388-I412 HydrophobicContact CB-CG2 4.47Å; L388-M414 PolarHBondContact N-O 2.71Å; L388-A415 HydrophobicContact CB-CB 4.15Å; L388-I419 HydrophobicContact CD2-CD1 4.26Å; L388-I419 HydrophobicContact CG-CD1 4.1Å; L388-L420 HydrophobicContact CD2-CD1 4Å; L388-L420 HydrophobicContact CD2-CD2 3.94Å; L388-L420 HydrophobicContact CD2-CG 4.05Å
389	K	90.5	Very high	92.9	Very high	63 Å²	63	37.9 Å²	37.9	27%	0.274	18%	0.181	S	C	.	.			trans	-111.7	162.3	-178.2	-59.4	-171.7	174.7	-176.3	0	111.9	Q387 E391 S392	Q387-K389 HydrophobicContact CG-CG 3.94Å; K389-E391 WeakPolarHBondContact CB-OE2 3.33Å; K389-E391 PolarHBondContact O-N 2.99Å; K389-S392 PolarHBondContact N-OG 3.31Å; K389-S392 VanDerWaalsContact O-CB 3.23Å; K389-S392 WeakPolarHBondContact O-CB 3.48Å; K389-S392 PolarHBondContact O-N 2.95Å; K389-S392 PolarHBondContact O-OG 3.22Å
390	P	90	Very high	92.8	Very high	56 Å²	56	40.7 Å²	40.7	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-55.2	-33	177.4	-24.8	33.5	0	0	0	113.7	S392 A394 I419	P390-S392 VanDerWaalsContact C-N 3.28Å; P390-S392 PolarHBondContact O-N 2.94Å; P390-A394 PolarHBondContact O-N 2.76Å; P390-I419 HydrophobicContact CG-CG2 4.12Å
391	E	90.8	Very high	92.7	Very high	125 Å²	125	44.2 Å²	44.2	58%	0.584	22%	0.22	S	C	*	.	H	α-helix	trans	-69.2	-27.3	179.1	-53	75.2	-154.8	0	0	112	K389 I393 A394	K389-E391 WeakPolarHBondContact CB-OE2 3.33Å; K389-E391 PolarHBondContact O-N 2.99Å; E391-I393 VanDerWaalsContact C-N 3.26Å; E391-I393 PolarHBondContact O-N 2.77Å; E391-A394 PolarHBondContact O-N 3.02Å
392	S	91.6	Very high	92.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-31.6	-179	-57.8	0	0	0	0	113.1	T362 L363 K389 P390	T362-S392 PolarHBondContact OG1-OG 2.83Å; L363-S392 WeakPolarHBondContact O-CA 3.39Å; L363-S392 PolarHBondContact O-OG 2.71Å; L363-S392 VanDerWaalsContact O-OG 3.06Å; K389-S392 PolarHBondContact N-OG 3.31Å; K389-S392 VanDerWaalsContact O-CB 3.23Å; K389-S392 WeakPolarHBondContact O-CB 3.48Å; K389-S392 PolarHBondContact O-N 2.95Å; K389-S392 PolarHBondContact O-OG 3.22Å; P390-S392 VanDerWaalsContact C-N 3.28Å; P390-S392 PolarHBondContact O-N 2.94Å
393	I	92.3	Very high	92.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-107.5	-2.7	-178.8	62.5	166.1	0	0	0	112.8	L388 E391 P395 L396 K397 I419 L420	L388-I393 HydrophobicContact CD1-CG2 4.43Å; E391-I393 VanDerWaalsContact C-N 3.26Å; E391-I393 PolarHBondContact O-N 2.77Å; I393-P395 VanDerWaalsContact C-CD 3.49Å; I393-P395 VanDerWaalsContact C-N 3.34Å; I393-L396 WeakPolarHBondContact O-CB 3.44Å; I393-L396 PolarHBondContact O-N 2.7Å; I393-K397 PolarHBondContact O-N 3.2Å; I393-I419 HydrophobicContact CD1-CB 4.17Å; I393-I419 HydrophobicContact CD1-CD1 4.05Å; I393-I419 HydrophobicContact CD1-CG1 4.32Å; I393-I419 WeakPolarHBondContact CD1-O 3.26Å; I393-I419 HydrophobicContact CG1-CD1 4.34Å; I393-L420 HydrophobicContact CG2-CD2 4.3Å
394	A	93.4	Very high	92.6	Very high	49 Å²	49	45.8 Å²	45.8	41%	0.405	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-54.1	-41.2	-175	0	0	0	0	0	113.8	P390 E391 L396 K397	P390-A394 PolarHBondContact O-N 2.76Å; E391-A394 PolarHBondContact O-N 3.02Å; A394-L396 PolarHBondContact O-N 3.26Å; A394-K397 PolarHBondContact O-N 3.12Å
395	P	94.5	Very high	92.6	Very high	14 Å²	14	44.9 Å²	44.9	9%	0.091	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-64.8	-24.3	175.5	-24.6	37.5	0	0	0	114.3	L365 F369 S370 I393	L365-P395 HydrophobicContact CB-CG 4.09Å; F369-P395 HydrophobicContact CB-CB 3.97Å; S370-P395 WeakPolarHBondContact CA-O 3.03Å; S370-P395 WeakPolarHBondContact CB-O 3.32Å; I393-P395 VanDerWaalsContact C-CD 3.49Å; I393-P395 VanDerWaalsContact C-N 3.34Å
396	L	94.7	Very high	92.4	Very high	4 Å²	4	45 Å²	45	2%	0.021	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-87.8	-18.8	-174.7	-52	-179.8	0	0	0	113.1	L365 F369 L378 I393 A394 R398 L399 L402 L405 L423	L365-L396 HydrophobicContact CD1-CD1 4.02Å; L365-L396 HydrophobicContact CD1-CD2 4.15Å; L365-L396 HydrophobicContact CD1-CG 4.09Å; F369-L396 HydrophobicContact CB-CD2 4.44Å; L378-L396 HydrophobicContact CD2-CD1 3.78Å; L378-L396 HydrophobicContact CD2-CD2 3.68Å; L378-L396 HydrophobicContact CD2-CG 4.4Å; I393-L396 WeakPolarHBondContact O-CB 3.44Å; I393-L396 PolarHBondContact O-N 2.7Å; A394-L396 PolarHBondContact O-N 3.26Å; L396-R398 PolarHBondContact O-N 2.89Å; L396-R398 VanDerWaalsContact O-N 3.11Å; L396-L399 HydrophobicContact CB-CD1 4.4Å; L396-L399 HydrophobicContact CD2-CD1 3.85Å; L396-L399 WeakPolarHBondContact O-CB 3.29Å; L396-L399 PolarHBondContact O-N 2.66Å; L396-L399 VanDerWaalsContact O-N 3.12Å; L396-L402 HydrophobicContact CB-CD2 4.18Å; L396-L405 HydrophobicContact CD1-CD1 4.24Å; L396-L423 HydrophobicContact CB-CD2 4.19Å
397	K	91.7	Very high	92.5	Very high	71 Å²	71	41.7 Å²	41.7	31%	0.309	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.9	-173.9	-67.5	-175.7	-175.1	-176.8	0	114.5	I393 A394 E422 L423	I393-K397 PolarHBondContact O-N 3.2Å; A394-K397 PolarHBondContact O-N 3.12Å; K397-E422 WeakPolarHBondContact CE-OE2 3.23Å; K397-E422 IonicContact NZ-OE1 2.73Å; K397-E422 IonicContact NZ-OE2 3.13Å; K397-E422 PolarHBondContact NZ-OE2 2.92Å; K397-L423 HydrophobicContact CG-CD2 4.33Å
398	R	87.9	Confident	92.4	Very high	213 Å²	213	39 Å²	39	80%	0.804	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	0.5	-176.5	-60.5	-173.8	-166.9	171.7	3.9	113.6	L396 P400	L396-R398 PolarHBondContact O-N 2.89Å; L396-R398 VanDerWaalsContact O-N 3.11Å; R398-P400 WeakPolarHBondContact O-CD 3.09Å
399	L	93.9	Very high	92.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.208	C	C	.	.			trans	-77	114.8	-177.7	-62.4	-178	0	0	0	110.3	L372 L375 L396 N401 L402 S425	L372-L399 WeakPolarHBondContact O-CD2 3.47Å; L375-L399 HydrophobicContact CD2-CD1 4.01Å; L396-L399 HydrophobicContact CB-CD1 4.4Å; L396-L399 HydrophobicContact CD2-CD1 3.85Å; L396-L399 WeakPolarHBondContact O-CB 3.29Å; L396-L399 PolarHBondContact O-N 2.66Å; L396-L399 VanDerWaalsContact O-N 3.12Å; L399-N401 VanDerWaalsContact C-N 3.35Å; L399-N401 PolarHBondContact O-N 2.82Å; L399-L402 HydrophobicContact CB-CB 3.99Å; L399-L402 HydrophobicContact CD1-CD2 4.38Å; L399-S425 PolarHBondContact O-OG 2.8Å
400	P	91.9	Very high	92.6	Very high	70 Å²	70	37.5 Å²	37.5	46%	0.455	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-29.2	-170.8	29	-34.7	0	0	0	112.8	M373 R398 S425	M373-P400 WeakPolarHBondContact O-CG 3.13Å; R398-P400 WeakPolarHBondContact O-CD 3.09Å; P400-S425 WeakPolarHBondContact O-CB 3.47Å
401	N	93.9	Very high	92.9	Very high	76 Å²	76	39.2 Å²	39.2	41%	0.406	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	3.3	-170.2	-66.5	2.9	0	0	0	114	L375 E376 L399 T403	L375-N401 CarbonylContact O-C 3.16Å; E376-N401 WeakPolarHBondContact CA-O 3.33Å; E376-N401 HydrophobicContact CG-CB 4.43Å; L399-N401 VanDerWaalsContact C-N 3.35Å; L399-N401 PolarHBondContact O-N 2.82Å; N401-T403 WeakPolarHBondContact O-CG2 3.43Å; N401-T403 PolarHBondContact O-N 3.25Å
402	L	94.4	Very high	93.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.169	C	C	.	.			trans	-68	99	-175.5	-177.2	66.9	0	0	0	111	L375 L378 L396 L399 S425 F426	L375-L402 HydrophobicContact CD2-CD1 4.21Å; L375-L402 HydrophobicContact CG-CD1 4.35Å; L375-L402 VanDerWaalsContact O-CA 3.23Å; L375-L402 WeakPolarHBondContact O-CA 3.03Å; L375-L402 PolarHBondContact O-N 2.81Å; L375-L402 VanDerWaalsContact O-N 3.08Å; L378-L402 HydrophobicContact CB-CD1 3.98Å; L396-L402 HydrophobicContact CB-CD2 4.18Å; L399-L402 HydrophobicContact CB-CB 3.99Å; L399-L402 HydrophobicContact CD1-CD2 4.38Å; L402-S425 CarbonylContact O-C 3.45Å; L402-S425 VanDerWaalsContact O-C 3.26Å; L402-S425 PolarHBondContact O-OG 2.91Å; L402-F426 WeakPolarHBondContact O-CA 3.38Å; L402-F426 PolarHBondContact O-N 3.3Å
403	T	91.8	Very high	93.1	Very high	48 Å²	48	38.3 Å²	38.3	29%	0.294	19%	0.191	S	C	.	.			trans	-93.5	-35.2	-177.6	61.4	0	0	0	0	112.4	E376 N401 H427 I428	E376-T403 PolarHBondContact O-N 2.66Å; E376-T403 PolarHBondContact O-OG1 3.09Å; E376-T403 VanDerWaalsContact O-OG1 3.1Å; N401-T403 WeakPolarHBondContact O-CG2 3.43Å; N401-T403 PolarHBondContact O-N 3.25Å; T403-H427 WeakPolarHBondContact O-CA 3.49Å; T403-H427 PolarHBondContact O-N 3.34Å; T403-I428 PolarHBondContact O-N 2.03Å
404	V	91.9	Very high	92.9	Very high	15 Å²	15	41.9 Å²	41.9	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.8	-176.4	-175.6	0	0	0	0	110.9	E376 I377 L378 I428 L497	E376-V404 PolarHBondContact O-N 2.91Å; I377-V404 HydrophobicContact CB-CB 4.39Å; I377-V404 HydrophobicContact CG1-CB 4.09Å; I377-V404 HydrophobicContact CG1-CG2 4.17Å; I377-V404 HydrophobicContact CG2-CB 4.2Å; I377-V404 HydrophobicContact CG2-CG1 4.34Å; L378-V404 PolarHBondContact N-O 3.18Å; V404-I428 WeakPolarHBondContact CA-O 3.37Å; V404-I428 HydrophobicContact CG1-CB 4.45Å; V404-I428 HydrophobicContact CG1-CG2 4.48Å; V404-I428 HydrophobicContact CG2-CB 4.35Å; V404-I428 HydrophobicContact CG2-CD1 4.46Å; V404-L497 HydrophobicContact CG2-CD2 4.31Å
405	L	94.4	Very high	92.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.4	169	177.9	61.9	0	0	0	109.7	L378 L396 L407 L420 L423 I428 I429 S430	L378-L405 HydrophobicContact CB-CD1 4.29Å; L378-L405 HydrophobicContact CD2-CD1 4.09Å; L378-L405 HydrophobicContact CG-CD1 4.24Å; L396-L405 HydrophobicContact CD1-CD1 4.24Å; L405-L407 HydrophobicContact CD1-CG 4.25Å; L405-L407 HydrophobicContact CD2-CD1 4.01Å; L405-L407 HydrophobicContact CD2-CG 4.48Å; L405-L407 HydrophobicContact CG-CD1 4.19Å; L405-L407 HydrophobicContact CG-CG 4.13Å; L405-L420 HydrophobicContact CD2-CD2 4.28Å; L405-L423 HydrophobicContact CD2-CD1 3.76Å; L405-I428 PolarHBondContact N-O 3.21Å; L405-I429 HydrophobicContact CB-CG1 4.46Å; L405-I429 WeakPolarHBondContact O-CA 3.4Å; L405-S430 PolarHBondContact O-N 2.89Å
406	D	92.6	Very high	92	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.011	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.2	178.2	-167.6	-14.5	0	0	0	110.8	L378 R379 L380 K381 G408	L378-D406 PolarHBondContact O-N 2.9Å; R379-D406 HydrophobicContact CB-CB 4.25Å; R379-D406 HydrophobicContact CG-CB 4.12Å; L380-D406 CarbonylContact C-O 3.48Å; L380-D406 PolarHBondContact N-O 2.89Å; K381-D406 WeakPolarHBondContact CD-OD2 3.24Å; K381-D406 WeakPolarHBondContact CE-OD1 3.45Å; K381-D406 WeakPolarHBondContact CE-OD2 3.38Å; K381-D406 WeakPolarHBondContact CG-OD1 3.23Å; K381-D406 IonicContact NZ-OD1 3.28Å; K381-D406 IonicContact NZ-OD2 2.76Å; K381-D406 PolarHBondContact NZ-OD2 2.71Å; D406-G408 PolarHBondContact OD1-N 2.9Å
407	L	94.7	Very high	91.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.207	C	C	.	.			trans	-114.1	26.4	176	-69.1	170.3	0	0	0	111	L363 L380 L388 L405 N410 S430 L431 N434	L363-L407 HydrophobicContact CD2-CD2 4.16Å; L380-L407 HydrophobicContact CB-CD2 3.85Å; L380-L407 HydrophobicContact CD1-CD2 4.21Å; L388-L407 HydrophobicContact CD1-CD1 4.25Å; L388-L407 HydrophobicContact CD2-CD1 4.42Å; L405-L407 HydrophobicContact CD1-CG 4.25Å; L405-L407 HydrophobicContact CD2-CD1 4.01Å; L405-L407 HydrophobicContact CD2-CG 4.48Å; L405-L407 HydrophobicContact CG-CD1 4.19Å; L405-L407 HydrophobicContact CG-CG 4.13Å; L407-N410 PolarHBondContact O-ND2 3.43Å; L407-S430 CarbonylContact C-O 3.01Å; L407-S430 WeakPolarHBondContact CA-O 3.06Å; L407-S430 PolarHBondContact N-O 2.99Å; L407-L431 HydrophobicContact CB-CD2 3.76Å; L407-L431 HydrophobicContact CD1-CD2 4.12Å; L407-N434 PolarHBondContact O-ND2 3.19Å
408	G	91.4	Very high	90.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.			trans	-65.6	161.1	178.8	0	0	0	0	0	114.3	K381 G382 D406 N410 S432	K381-G408 WeakPolarHBondContact CA-O 3.13Å; K381-G408 WeakPolarHBondContact CB-O 3.46Å; K381-G408 WeakPolarHBondContact CG-O 3.24Å; G382-G408 PolarHBondContact N-O 2.94Å; D406-G408 PolarHBondContact OD1-N 2.9Å; G408-N410 VanDerWaalsContact C-N 3.25Å; G408-N410 PolarHBondContact O-N 3.32Å; G408-N410 VanDerWaalsContact O-N 3.12Å; G408-N410 PolarHBondContact O-ND2 3.36Å; G408-S432 CarbonylContact C-O 3.4Å; G408-S432 WeakPolarHBondContact CA-O 3.49Å
409	T	92.2	Very high	90.8	Very high	35 Å²	35	32 Å²	32	22%	0.215	17%	0.172	C	C	.	.	S	Bend	trans	53.4	38.1	173	-36.2	0	0	0	0	113.7	F352 G382 S432 D433	F352-T409 HydrophobicContact CE1-CG2 4.27Å; F352-T409 HydrophobicContact CZ-CG2 4.28Å; G382-T409 VanDerWaalsContact CA-O 3.25Å; G382-T409 WeakPolarHBondContact CA-O 3.22Å; G382-T409 PolarHBondContact N-O 3.02Å; G382-T409 VanDerWaalsContact N-O 3.16Å; T409-S432 PolarHBondContact N-O 3.26Å; T409-D433 WeakPolarHBondContact CA-O 3.45Å
410	N	95.4	Very high	90.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-104.8	-1	-179.3	-85.2	-58.7	0	0	0	113.5	L380 G382 Y383 V384 F385 L407 G408 I412 N434	L380-N410 PolarHBondContact O-ND2 2.92Å; L380-N410 PolarHBondContact O-OD1 3.41Å; G382-N410 PolarHBondContact N-OD1 3.07Å; Y383-N410 WeakPolarHBondContact CA-OD1 3.18Å; Y383-N410 VanDerWaalsContact CB-OD1 3.28Å; Y383-N410 WeakPolarHBondContact CB-OD1 3.49Å; Y383-N410 PolarHBondContact N-OD1 2.84Å; V384-N410 CarbonylContact C-O 3.5Å; V384-N410 WeakPolarHBondContact CA-O 3.39Å; V384-N410 PolarHBondContact N-OD1 3.43Å; F385-N410 HydrophobicContact CD1-CB 4.03Å; F385-N410 HydrophobicContact CE1-CB 3.72Å; F385-N410 HydrophobicContact CZ-CB 4.48Å; F385-N410 PolarHBondContact N-O 3.04Å; L407-N410 PolarHBondContact O-ND2 3.43Å; G408-N410 VanDerWaalsContact C-N 3.25Å; G408-N410 PolarHBondContact O-N 3.32Å; G408-N410 VanDerWaalsContact O-N 3.12Å; G408-N410 PolarHBondContact O-ND2 3.36Å; N410-I412 HydrophobicContact CB-CD1 3.86Å; N410-I412 HydrophobicContact CB-CG1 3.65Å; N410-I412 PolarHBondContact O-N 3.06Å; N410-N434 VanDerWaalsContact C-OD1 3.25Å; N410-N434 VanDerWaalsContact CA-OD1 3.29Å; N410-N434 WeakPolarHBondContact CA-OD1 3.2Å; N410-N434 VanDerWaalsContact CB-OD1 3.31Å; N410-N434 WeakPolarHBondContact CB-OD1 3.47Å; N410-N434 PolarHBondContact N-OD1 3.32Å
411	F	95.1	Very high	89.8	Confident	92 Å²	92	30.6 Å²	30.6	40%	0.404	16%	0.16	S	C	.	.			trans	53.6	31.8	-173.6	-56	-87.5	0	0	0	113	Y359 V384 K413 N434 K435	Y359-F411 HydrophobicContact CE2-CB 4.3Å; Y359-F411 PolarHBondContact OH-O 3.36Å; V384-F411 HydrophobicContact CG1-CD2 4.05Å; V384-F411 HydrophobicContact CG2-CD2 4.1Å; V384-F411 HydrophobicContact CG2-CE2 4.33Å; F411-K413 PolarHBondContact O-N 3.37Å; F411-N434 PolarHBondContact N-OD1 2.94Å; F411-K435 HydrophobicContact CB-CG 4.5Å; F411-K435 HydrophobicContact CD1-CG 4.31Å
412	I	94.8	Very high	89.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.			trans	-63.2	124.6	179.3	-58.3	164.4	0	0	0	108.6	F385 L388 N410 M414 A415 L431 N434 K435 I436	F385-I412 HydrophobicContact CD2-CG1 4.25Å; F385-I412 HydrophobicContact CE1-CD1 4.05Å; F385-I412 HydrophobicContact CE1-CG1 4.08Å; F385-I412 HydrophobicContact CE2-CD1 3.87Å; F385-I412 HydrophobicContact CE2-CG1 3.74Å; F385-I412 HydrophobicContact CZ-CD1 3.43Å; F385-I412 VanDerWaalsContact CZ-CD1 3.43Å; F385-I412 HydrophobicContact CZ-CG1 3.66Å; F385-I412 WeakPolarHBondContact O-CA 3.32Å; L388-I412 HydrophobicContact CB-CG2 4.47Å; N410-I412 HydrophobicContact CB-CD1 3.86Å; N410-I412 HydrophobicContact CB-CG1 3.65Å; N410-I412 PolarHBondContact O-N 3.06Å; I412-M414 WeakPolarHBondContact CG2-O 3.34Å; I412-A415 HydrophobicContact CG2-CB 4.12Å; I412-L431 HydrophobicContact CD1-CD2 3.93Å; I412-N434 HydrophobicContact CB-CB 4.16Å; I412-N434 WeakPolarHBondContact CG1-OD1 3.37Å; I412-N434 PolarHBondContact N-OD1 2.85Å; I412-K435 CarbonylContact O-C 3.33Å; I412-K435 VanDerWaalsContact O-CA 3.26Å; I412-K435 WeakPolarHBondContact O-CA 3.4Å; I412-K435 PolarHBondContact O-N 3.01Å; I412-I436 HydrophobicContact CB-CG1 4.46Å; I412-I436 HydrophobicContact CG2-CG1 4.34Å; I412-I436 PolarHBondContact O-N 2.75Å
413	K	91.3	Very high	89.1	Confident	106 Å²	106	31.3 Å²	31.3	46%	0.461	16%	0.161	S	C	.	.			trans	-91.3	-40.7	177.3	-65.9	177.9	180	-179.2	0	111.8	Y359 Q386 F411 K435	Y359-K413 WeakPolarHBondContact OH-CE 3.28Å; Q386-K413 PolarHBondContact O-N 3.18Å; F411-K413 PolarHBondContact O-N 3.37Å; K413-K435 HydrophobicContact CG-CB 4.35Å
414	M	88.8	Confident	88.7	Confident	76 Å²	76	37.6 Å²	37.6	37%	0.374	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.4	-173.6	-61.3	170.3	87.4	0	0	109.7	Q386 Q387 L388 I412 S440	Q386-M414 PolarHBondContact O-N 2.83Å; Q387-M414 CarbonylContact C-O 3.02Å; Q387-M414 VanDerWaalsContact CA-O 3.29Å; Q387-M414 WeakPolarHBondContact CA-O 3.22Å; Q387-M414 HydrophobicContact CB-CB 4.19Å; Q387-M414 HydrophobicContact CG-CB 3.87Å; L388-M414 PolarHBondContact N-O 2.71Å; I412-M414 WeakPolarHBondContact CG2-O 3.34Å; M414-S440 WeakPolarHBondContact CE-OG 3.38Å
415	A	86.4	Confident	88.4	Confident	5 Å²	5	38.8 Å²	38.8	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126.8	174.8	0	0	0	0	0	109.6	L388 I412 L417 I436	L388-A415 HydrophobicContact CB-CB 4.15Å; I412-A415 HydrophobicContact CG2-CB 4.12Å; A415-L417 HydrophobicContact CB-CD2 4.36Å; A415-L417 PolarHBondContact O-N 3.44Å; A415-I436 HydrophobicContact CB-CD1 4.06Å; A415-I436 HydrophobicContact CB-CG1 4.37Å
416	N	82.8	Confident	88.2	Confident	80 Å²	80	39 Å²	39	43%	0.428	19%	0.193	S	C	.	.			trans	-82.5	103.6	164.8	-177	-8.6	0	0	0	108	S418 I419	N416-S418 PolarHBondContact O-N 3Å; N416-S418 VanDerWaalsContact O-N 3.11Å; N416-S418 VanDerWaalsContact OD1-CB 3.23Å; N416-S418 WeakPolarHBondContact OD1-CB 3.02Å; N416-S418 PolarHBondContact OD1-N 3.46Å; N416-S418 PolarHBondContact OD1-OG 3.43Å; N416-I419 HydrophobicContact CB-CG1 4.44Å; N416-I419 HydrophobicContact CB-CG2 4.34Å; N416-I419 WeakPolarHBondContact O-CG1 3.35Å; N416-I419 PolarHBondContact O-N 3.18Å
417	L	83.1	Confident	88.1	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.7	-20.4	-177.3	-59	179.4	0	0	0	112.8	A415 I419 L420 L431 L510 V512 F524 L525 L527	A415-L417 HydrophobicContact CB-CD2 4.36Å; A415-L417 PolarHBondContact O-N 3.44Å; L417-I419 VanDerWaalsContact C-N 3.33Å; L417-I419 PolarHBondContact O-N 3.32Å; L417-L420 HydrophobicContact CD2-CD1 4.34Å; L417-L420 WeakPolarHBondContact O-CB 3.37Å; L417-L420 PolarHBondContact O-N 3.12Å; L417-L431 HydrophobicContact CD2-CD1 3.45Å; L417-L431 VanDerWaalsContact CD2-CD1 3.45Å; L417-L510 HydrophobicContact CD1-CD2 4.26Å; L417-V512 HydrophobicContact CD2-CG1 4.42Å; L417-F524 HydrophobicContact CD1-CE1 3.87Å; L417-F524 HydrophobicContact CD1-CE2 3.87Å; L417-F524 HydrophobicContact CD1-CZ 3.48Å; L417-F524 VanDerWaalsContact CD1-CZ 3.48Å; L417-L525 HydrophobicContact CD1-CD2 4.49Å; L417-L527 HydrophobicContact CB-CD1 4.49Å
418	S	80.8	Confident	87.9	Confident	47 Å²	47	42.4 Å²	42.4	33%	0.329	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-67.3	-31.9	179.7	-47.1	0	0	0	0	112.7	N416 L420 M421	N416-S418 PolarHBondContact O-N 3Å; N416-S418 VanDerWaalsContact O-N 3.11Å; N416-S418 VanDerWaalsContact OD1-CB 3.23Å; N416-S418 WeakPolarHBondContact OD1-CB 3.02Å; N416-S418 PolarHBondContact OD1-N 3.46Å; N416-S418 PolarHBondContact OD1-OG 3.43Å; S418-L420 PolarHBondContact O-N 3.35Å; S418-M421 WeakPolarHBondContact O-CB 3.35Å; S418-M421 PolarHBondContact O-N 3.04Å; S418-M421 VanDerWaalsContact O-N 3.1Å
419	I	84.7	Confident	87.9	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.051	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-66.8	-28	-179.9	59.9	149.3	0	0	0	111.8	L388 P390 I393 N416 L417 M421 E422	L388-I419 HydrophobicContact CD2-CD1 4.26Å; L388-I419 HydrophobicContact CG-CD1 4.1Å; P390-I419 HydrophobicContact CG-CG2 4.12Å; I393-I419 HydrophobicContact CD1-CB 4.17Å; I393-I419 HydrophobicContact CD1-CD1 4.05Å; I393-I419 HydrophobicContact CD1-CG1 4.32Å; I393-I419 WeakPolarHBondContact CD1-O 3.26Å; I393-I419 HydrophobicContact CG1-CD1 4.34Å; N416-I419 HydrophobicContact CB-CG1 4.44Å; N416-I419 HydrophobicContact CB-CG2 4.34Å; N416-I419 WeakPolarHBondContact O-CG1 3.35Å; N416-I419 PolarHBondContact O-N 3.18Å; L417-I419 VanDerWaalsContact C-N 3.33Å; L417-I419 PolarHBondContact O-N 3.32Å; I419-M421 PolarHBondContact O-N 3.37Å; I419-E422 WeakPolarHBondContact O-CB 3.31Å; I419-E422 WeakPolarHBondContact O-CG 3.47Å; I419-E422 PolarHBondContact O-N 2.99Å; I419-E422 VanDerWaalsContact O-N 3.17Å
420	L	84.2	Confident	87.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-69.4	-20.6	177.3	-69.4	166.9	0	0	0	112.1	L388 I393 L405 L417 S418 E422 L423 I429 L431	L388-L420 HydrophobicContact CD2-CD1 4Å; L388-L420 HydrophobicContact CD2-CD2 3.94Å; L388-L420 HydrophobicContact CD2-CG 4.05Å; I393-L420 HydrophobicContact CG2-CD2 4.3Å; L405-L420 HydrophobicContact CD2-CD2 4.28Å; L417-L420 HydrophobicContact CD2-CD1 4.34Å; L417-L420 WeakPolarHBondContact O-CB 3.37Å; L417-L420 PolarHBondContact O-N 3.12Å; S418-L420 PolarHBondContact O-N 3.35Å; L420-E422 PolarHBondContact O-N 3.14Å; L420-L423 HydrophobicContact CD2-CD1 4.45Å; L420-L423 WeakPolarHBondContact O-CB 3.11Å; L420-L423 PolarHBondContact O-N 2.63Å; L420-I429 HydrophobicContact CB-CD1 3.93Å; L420-I429 HydrophobicContact CD1-CG2 4.15Å; L420-I429 HydrophobicContact CD2-CD1 4.46Å; L420-I429 HydrophobicContact CD2-CG2 4.43Å; L420-L431 HydrophobicContact CD1-CD1 3.71Å; L420-L431 HydrophobicContact CD1-CG 4.47Å
421	M	80.8	Confident	87.8	Confident	40 Å²	40	40.9 Å²	40.9	20%	0.197	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-76.3	-12.1	175	-58.7	-59.5	98.4	0	0	113.3	S418 I419 L423 F426 I429 L527	S418-M421 WeakPolarHBondContact O-CB 3.35Å; S418-M421 PolarHBondContact O-N 3.04Å; S418-M421 VanDerWaalsContact O-N 3.1Å; I419-M421 PolarHBondContact O-N 3.37Å; M421-L423 PolarHBondContact O-N 3.3Å; M421-F426 HydrophobicContact CE-CE1 3.71Å; M421-F426 HydrophobicContact CE-CE2 4.38Å; M421-F426 HydrophobicContact CE-CZ 3.47Å; M421-F426 VanDerWaalsContact CE-CZ 3.47Å; M421-F426 HydrophobicContact SD-CE1 3.96Å; M421-F426 HydrophobicContact SD-CZ 3.72Å; M421-I429 HydrophobicContact CE-CD1 4.37Å; M421-L527 HydrophobicContact CE-CD2 4.1Å; M421-L527 HydrophobicContact CG-CD2 3.2Å; M421-L527 HydrophobicContact CG-CG 4.42Å; M421-L527 HydrophobicContact SD-CB 4.11Å; M421-L527 HydrophobicContact SD-CD2 3.6Å; M421-L527 VanDerWaalsContact SD-CD2 3.6Å; M421-L527 HydrophobicContact SD-CG 4.33Å
422	E	86.1	Confident	87.6	Confident	91 Å²	91	36.7 Å²	36.7	43%	0.425	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-68.2	-18.7	171.8	-61.7	-176.8	-142	0	0	112	K397 I419 L420 K424	K397-E422 WeakPolarHBondContact CE-OE2 3.23Å; K397-E422 IonicContact NZ-OE1 2.73Å; K397-E422 IonicContact NZ-OE2 3.13Å; K397-E422 PolarHBondContact NZ-OE2 2.92Å; I419-E422 WeakPolarHBondContact O-CB 3.31Å; I419-E422 WeakPolarHBondContact O-CG 3.47Å; I419-E422 PolarHBondContact O-N 2.99Å; I419-E422 VanDerWaalsContact O-N 3.17Å; L420-E422 PolarHBondContact O-N 3.14Å; E422-K424 PolarHBondContact O-N 3Å
423	L	88.4	Confident	87.5	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.191	C	C	.	.			trans	-73.3	104.4	169.3	-54.8	177.4	0	0	0	107.7	L396 K397 L405 L420 M421 F426 I429	L396-L423 HydrophobicContact CB-CD2 4.19Å; K397-L423 HydrophobicContact CG-CD2 4.33Å; L405-L423 HydrophobicContact CD2-CD1 3.76Å; L420-L423 HydrophobicContact CD2-CD1 4.45Å; L420-L423 WeakPolarHBondContact O-CB 3.11Å; L420-L423 PolarHBondContact O-N 2.63Å; M421-L423 PolarHBondContact O-N 3.3Å; L423-F426 HydrophobicContact CB-CD1 4.04Å; L423-F426 WeakPolarHBondContact O-CD1 3.39Å; L423-F426 WeakPolarHBondContact O-CE1 3.14Å; L423-I429 HydrophobicContact CD1-CD1 4.27Å
424	K	83.4	Confident	87.7	Confident	181 Å²	181	33.1 Å²	33.1	79%	0.787	17%	0.169	S	C	*	.	S	Bend	trans	-77.2	-32.2	-174.2	-67.7	-172.6	178.5	-177.6	0	113.3	E422 K508	E422-K424 PolarHBondContact O-N 3Å; K424-K508 PolarHBondContact O-NZ 2.99Å
425	S	85.8	Confident	87.9	Confident	39 Å²	39	33.8 Å²	33.8	27%	0.273	17%	0.169	S	C	.	.	S	Bend	trans	-83.8	-9.2	-172.1	41.8	0	0	0	0	115	L399 P400 L402	L399-S425 PolarHBondContact O-OG 2.8Å; P400-S425 WeakPolarHBondContact O-CB 3.47Å; L402-S425 CarbonylContact O-C 3.45Å; L402-S425 VanDerWaalsContact O-C 3.26Å; L402-S425 PolarHBondContact O-OG 2.91Å
426	F	89.4	Confident	88.1	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.026	17%	0.168	C	C	.	.			trans	-65.5	145.2	-174.6	82.5	-96	0	0	0	112.4	L402 M421 L423 I429 K508 L530	L402-F426 WeakPolarHBondContact O-CA 3.38Å; L402-F426 PolarHBondContact O-N 3.3Å; M421-F426 HydrophobicContact CE-CE1 3.71Å; M421-F426 HydrophobicContact CE-CE2 4.38Å; M421-F426 HydrophobicContact CE-CZ 3.47Å; M421-F426 VanDerWaalsContact CE-CZ 3.47Å; M421-F426 HydrophobicContact SD-CE1 3.96Å; M421-F426 HydrophobicContact SD-CZ 3.72Å; L423-F426 HydrophobicContact CB-CD1 4.04Å; L423-F426 WeakPolarHBondContact O-CD1 3.39Å; L423-F426 WeakPolarHBondContact O-CE1 3.14Å; F426-I429 HydrophobicContact CB-CD1 4.11Å; F426-I429 HydrophobicContact CB-CG1 4Å; F426-I429 HydrophobicContact CD1-CD1 3.66Å; F426-I429 HydrophobicContact CD1-CG1 4.34Å; F426-I429 HydrophobicContact CD2-CD1 3.8Å; F426-I429 HydrophobicContact CD2-CG1 3.67Å; F426-I429 HydrophobicContact CE1-CD1 4.04Å; F426-I429 HydrophobicContact CE2-CD1 4.11Å; F426-I429 HydrophobicContact CE2-CG1 4.25Å; F426-I429 HydrophobicContact CG-CD1 3.59Å; F426-I429 HydrophobicContact CG-CG1 3.75Å; F426-I429 HydrophobicContact CZ-CD1 4.25Å; F426-K508 HydrophobicContact CD2-CG 4.49Å; F426-K508 HydrophobicContact CE1-CD 4.26Å; F426-K508 HydrophobicContact CE2-CB 3.85Å; F426-K508 HydrophobicContact CE2-CD 3.98Å; F426-K508 HydrophobicContact CE2-CG 4.05Å; F426-K508 HydrophobicContact CZ-CB 4.32Å; F426-K508 HydrophobicContact CZ-CD 3.78Å; F426-K508 HydrophobicContact CZ-CG 4.36Å; F426-K508 WeakPolarHBondContact O-CE 3.42Å; F426-L530 HydrophobicContact CE2-CD2 4.31Å; F426-L530 HydrophobicContact CZ-CD2 4.38Å
427	H	89.9	Confident	88	Confident	69 Å²	69	32 Å²	32	32%	0.319	16%	0.163	S	C	.	.	S	Bend	trans	-109.2	-41	167.4	-174.1	65.9	0	0	0	110.6	T403 S504 G507 K508 T509	T403-H427 WeakPolarHBondContact O-CA 3.49Å; T403-H427 PolarHBondContact O-N 3.34Å; H427-S504 PolarHBondContact CE1-O 2.99Å; H427-S504 PolarHBondContact NE2-O 2.83Å; H427-S504 VanDerWaalsContact NE2-O 3.14Å; H427-G507 PolarHBondContact CE1-O 3.06Å; H427-K508 CarbonylContact O-C 3.51Å; H427-K508 WeakPolarHBondContact O-CA 3.47Å; H427-T509 PolarHBondContact O-N 3.23Å
428	I	91	Very high	87.2	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.7	179.6	-63.6	167	0	0	0	110.1	T403 V404 L405 L497 V499	T403-I428 PolarHBondContact O-N 2.03Å; V404-I428 WeakPolarHBondContact CA-O 3.37Å; V404-I428 HydrophobicContact CG1-CB 4.45Å; V404-I428 HydrophobicContact CG1-CG2 4.48Å; V404-I428 HydrophobicContact CG2-CB 4.35Å; V404-I428 HydrophobicContact CG2-CD1 4.46Å; L405-I428 PolarHBondContact N-O 3.21Å; I428-L497 HydrophobicContact CD1-CD2 3.67Å; I428-V499 HydrophobicContact CD1-CG2 4.3Å; I428-V499 HydrophobicContact CG1-CG2 4.46Å; I428-V499 HydrophobicContact CG2-CG2 3.53Å
429	I	92.4	Very high	85.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120	165.2	-61	179.4	0	0	0	108.2	L405 L420 M421 L423 F426 T509 L510 D511	L405-I429 HydrophobicContact CB-CG1 4.46Å; L405-I429 WeakPolarHBondContact O-CA 3.4Å; L420-I429 HydrophobicContact CB-CD1 3.93Å; L420-I429 HydrophobicContact CD1-CG2 4.15Å; L420-I429 HydrophobicContact CD2-CD1 4.46Å; L420-I429 HydrophobicContact CD2-CG2 4.43Å; M421-I429 HydrophobicContact CE-CD1 4.37Å; L423-I429 HydrophobicContact CD1-CD1 4.27Å; F426-I429 HydrophobicContact CB-CD1 4.11Å; F426-I429 HydrophobicContact CB-CG1 4Å; F426-I429 HydrophobicContact CD1-CD1 3.66Å; F426-I429 HydrophobicContact CD1-CG1 4.34Å; F426-I429 HydrophobicContact CD2-CD1 3.8Å; F426-I429 HydrophobicContact CD2-CG1 3.67Å; F426-I429 HydrophobicContact CE1-CD1 4.04Å; F426-I429 HydrophobicContact CE2-CD1 4.11Å; F426-I429 HydrophobicContact CE2-CG1 4.25Å; F426-I429 HydrophobicContact CG-CD1 3.59Å; F426-I429 HydrophobicContact CG-CG1 3.75Å; F426-I429 HydrophobicContact CZ-CD1 4.25Å; I429-T509 PolarHBondContact N-O 3.46Å; I429-L510 HydrophobicContact CB-CD1 4.18Å; I429-L510 HydrophobicContact CG2-CD1 4.11Å; I429-D511 PolarHBondContact O-N 3.04Å
430	S	91.9	Very high	83.7	Confident	4 Å²	4	37.4 Å²	37.4	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	174.1	-168.4	0	0	0	0	111.1	L405 L407 S432 D511	L405-S430 PolarHBondContact O-N 2.89Å; L407-S430 CarbonylContact C-O 3.01Å; L407-S430 WeakPolarHBondContact CA-O 3.06Å; L407-S430 PolarHBondContact N-O 2.99Å; S430-S432 PolarHBondContact OG-N 3.22Å; S430-S432 PolarHBondContact OG-OG 3.11Å; S430-D511 PolarHBondContact OG-OD2 2.85Å
431	L	93	Very high	81.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.			trans	-119.9	25.4	169.6	-69.5	168.7	0	0	0	109.9	L407 I412 L417 L420 N434 I436 L510 D511 V512 N515	L407-L431 HydrophobicContact CB-CD2 3.76Å; L407-L431 HydrophobicContact CD1-CD2 4.12Å; I412-L431 HydrophobicContact CD1-CD2 3.93Å; L417-L431 HydrophobicContact CD2-CD1 3.45Å; L417-L431 VanDerWaalsContact CD2-CD1 3.45Å; L420-L431 HydrophobicContact CD1-CD1 3.71Å; L420-L431 HydrophobicContact CD1-CG 4.47Å; L431-N434 VanDerWaalsContact C-ND2 3.31Å; L431-N434 PolarHBondContact O-ND2 2.87Å; L431-I436 HydrophobicContact CB-CD1 4.2Å; L431-I436 HydrophobicContact CD1-CD1 4.12Å; L431-L510 HydrophobicContact CD1-CD1 4.39Å; L431-D511 CarbonylContact C-O 3.45Å; L431-D511 WeakPolarHBondContact CA-O 3.44Å; L431-D511 PolarHBondContact N-O 2.89Å; L431-V512 HydrophobicContact CB-CG1 4.1Å; L431-V512 HydrophobicContact CD1-CG1 4.09Å; L431-N515 PolarHBondContact O-ND2 3.02Å
432	S	91.6	Very high	79.5	Confident	4 Å²	4	45 Å²	45	3%	0.028	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	151.2	179	51.1	0	0	0	0	112.6	G408 T409 S430 N434 D511 S513	G408-S432 CarbonylContact C-O 3.4Å; G408-S432 WeakPolarHBondContact CA-O 3.49Å; T409-S432 PolarHBondContact N-O 3.26Å; S430-S432 PolarHBondContact OG-N 3.22Å; S430-S432 PolarHBondContact OG-OG 3.11Å; S432-N434 VanDerWaalsContact C-N 3.3Å; S432-N434 PolarHBondContact O-N 2.81Å; S432-N434 PolarHBondContact O-ND2 3.05Å; S432-D511 PolarHBondContact N-O 3.02Å; S432-S513 VanDerWaalsContact CA-O 3.27Å; S432-S513 WeakPolarHBondContact CA-O 2.98Å
433	D	91.8	Very high	77.2	Confident	31 Å²	31	49 Å²	49	17%	0.166	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	39.3	174.9	-59.6	-68.2	0	0	0	114.4	T409 E472 S513 R514	T409-D433 WeakPolarHBondContact CA-O 3.45Å; D433-E472 VanDerWaalsContact OD2-OE1 3.12Å; D433-S513 PolarHBondContact N-O 3.07Å; D433-S513 VanDerWaalsContact N-O 3.09Å; D433-R514 WeakPolarHBondContact CA-O 3.01Å; D433-R514 VanDerWaalsContact CG-NE 3.31Å; D433-R514 WeakPolarHBondContact OD1-CB 3.4Å; D433-R514 WeakPolarHBondContact OD1-CD 3.23Å; D433-R514 IonicContact OD1-CZ 2.74Å; D433-R514 IonicContact OD1-NE 3.12Å; D433-R514 PolarHBondContact OD1-NE 2.96Å; D433-R514 IonicContact OD1-NH2 3.43Å; D433-R514 IonicContact OD2-CZ 2.79Å; D433-R514 IonicContact OD2-NE 3.08Å; D433-R514 PolarHBondContact OD2-NE 2.63Å; D433-R514 IonicContact OD2-NH2 2.79Å; D433-R514 PolarHBondContact OD2-NH2 3.23Å
434	N	94.8	Very high	74.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.302	C	S	.	.			trans	-106.8	-171.6	172.7	-78.8	-68	0	0	0	110.6	L407 N410 F411 I412 L431 S432 I436 N515	L407-N434 PolarHBondContact O-ND2 3.19Å; N410-N434 VanDerWaalsContact C-OD1 3.25Å; N410-N434 VanDerWaalsContact CA-OD1 3.29Å; N410-N434 WeakPolarHBondContact CA-OD1 3.2Å; N410-N434 VanDerWaalsContact CB-OD1 3.31Å; N410-N434 WeakPolarHBondContact CB-OD1 3.47Å; N410-N434 PolarHBondContact N-OD1 3.32Å; F411-N434 PolarHBondContact N-OD1 2.94Å; I412-N434 HydrophobicContact CB-CB 4.16Å; I412-N434 WeakPolarHBondContact CG1-OD1 3.37Å; I412-N434 PolarHBondContact N-OD1 2.85Å; L431-N434 VanDerWaalsContact C-ND2 3.31Å; L431-N434 PolarHBondContact O-ND2 2.87Å; S432-N434 VanDerWaalsContact C-N 3.3Å; S432-N434 PolarHBondContact O-N 2.81Å; S432-N434 PolarHBondContact O-ND2 3.05Å; N434-I436 HydrophobicContact CB-CD1 4.3Å; N434-I436 HydrophobicContact CB-CG1 4.17Å; N434-N515 WeakPolarHBondContact CA-OD1 3.45Å; N434-N515 WeakPolarHBondContact CB-OD1 3.41Å; N434-N515 PolarHBondContact O-OD1 3.21Å
435	K	93.8	Very high	71.9	Confident	89 Å²	89	50 Å²	50	39%	0.387	31%	0.307	S	S	.	.			trans	-119.1	29.1	-178.6	-62.8	-63.5	177.1	-165.6	0	111.4	F411 I412 K413 S437 N515 N516	F411-K435 HydrophobicContact CB-CG 4.5Å; F411-K435 HydrophobicContact CD1-CG 4.31Å; I412-K435 CarbonylContact O-C 3.33Å; I412-K435 VanDerWaalsContact O-CA 3.26Å; I412-K435 WeakPolarHBondContact O-CA 3.4Å; I412-K435 PolarHBondContact O-N 3.01Å; K413-K435 HydrophobicContact CG-CB 4.35Å; K435-S437 PolarHBondContact O-N 3.02Å; K435-N515 PolarHBondContact N-OD1 3.02Å; K435-N516 WeakPolarHBondContact CD-ND2 3.43Å
436	I	90.4	Very high	69.1	Low	2 Å²	2	56 Å²	56	1%	0.01	33%	0.329	C	S	.	.			trans	-67.9	122.1	-178	-57.7	168.2	0	0	0	108.1	I412 A415 L431 N434 N515 N516 I517	I412-I436 HydrophobicContact CB-CG1 4.46Å; I412-I436 HydrophobicContact CG2-CG1 4.34Å; I412-I436 PolarHBondContact O-N 2.75Å; A415-I436 HydrophobicContact CB-CD1 4.06Å; A415-I436 HydrophobicContact CB-CG1 4.37Å; L431-I436 HydrophobicContact CB-CD1 4.2Å; L431-I436 HydrophobicContact CD1-CD1 4.12Å; N434-I436 HydrophobicContact CB-CD1 4.3Å; N434-I436 HydrophobicContact CB-CG1 4.17Å; I436-N515 HydrophobicContact CB-CB 4.33Å; I436-N515 VanDerWaalsContact CB-OD1 3.26Å; I436-N515 WeakPolarHBondContact CB-OD1 3.23Å; I436-N515 VanDerWaalsContact CG1-OD1 3.26Å; I436-N515 WeakPolarHBondContact CG1-OD1 3.41Å; I436-N515 PolarHBondContact N-OD1 2.95Å; I436-N516 CarbonylContact O-C 3.36Å; I436-N516 VanDerWaalsContact O-CA 3.3Å; I436-N516 WeakPolarHBondContact O-CA 3.33Å; I436-N516 PolarHBondContact O-N 2.89Å; I436-I517 HydrophobicContact CG2-CG1 4.43Å; I436-I517 WeakPolarHBondContact O-CG1 3.32Å; I436-I517 PolarHBondContact O-N 3.22Å; I436-I517 VanDerWaalsContact O-N 3.12Å
437	S	81.3	Confident	66.3	Low	46 Å²	46	59.2 Å²	59.2	32%	0.322	36%	0.363	S	S	.	.			trans	-114.5	-35.2	-174.4	58.6	0	0	0	0	115	K435 N516	K435-S437 PolarHBondContact O-N 3.02Å; S437-N516 VanDerWaalsContact CA-O 3.32Å; S437-N516 WeakPolarHBondContact CA-O 3.27Å
438	S	65.6	Low	63.3	Low	54 Å²	54	65.8 Å²	65.8	38%	0.378	39%	0.391	S	S	.	.			trans	-179.1	149.6	169	-174.6	0	0	0	0	107.8	S440	S438-S440 PolarHBondContact O-N 2.68Å; S438-S440 VanDerWaalsContact O-N 3.14Å
439	P	50.4	Low	60.3	Low	46 Å²	46	73.2 Å²	73.2	30%	0.299	43%	0.431	S	S	.	.			trans	-74.1	107.6	171.5	5.8	11.6	0	0	0	107.5	D441 F524	P439-D441 PolarHBondContact O-N 2.95Å; P439-F524 VanDerWaalsContact CD-CD2 3.41Å; P439-F524 HydrophobicContact CG-CD2 3.42Å; P439-F524 VanDerWaalsContact CG-CD2 3.42Å; P439-F524 HydrophobicContact CG-CE2 3.77Å
440	S	42.2	Very low	57.7	Low	74 Å²	74	77.2 Å²	77.2	52%	0.517	47%	0.472	S	S	.	.			trans	-61	113.8	149.5	49.8	0	0	0	0	106.5	M414 S438 A442	M414-S440 WeakPolarHBondContact CE-OG 3.38Å; S438-S440 PolarHBondContact O-N 2.68Å; S438-S440 VanDerWaalsContact O-N 3.14Å; S440-A442 PolarHBondContact O-N 2.75Å
441	D	40	Very low	54.5	Low	101 Å²	101	80.7 Å²	80.7	54%	0.54	51%	0.509	S	S	.	.			trans	-43.5	126.5	161.9	-81.1	-37.3	0	0	0	107.3	P439 Q443 R523	P439-D441 PolarHBondContact O-N 2.95Å; D441-Q443 PolarHBondContact O-N 2.86Å; D441-R523 IonicContact OD2-NH1 3.96Å
442	A	37.3	Very low	51.4	Low	99 Å²	99	89.3 Å²	89.3	82%	0.818	55%	0.55	S	S	*	.	S	Bend	trans	-67.3	22	177	0	0	0	0	0	112.7	S440	S440-A442 PolarHBondContact O-N 2.75Å
443	Q	36.7	Very low	48.5	Very low	174 Å²	174	95.3 Å²	95.3	81%	0.813	59%	0.588	S	S	*	*	S	Bend	trans	-148.8	66.3	-179.3	-68	-173.9	-8.2	0	0	110.1	D441	D441-Q443 PolarHBondContact O-N 2.86Å
444	T	30.2	Very low	45.5	Very low	97 Å²	97	102.1 Å²	102.1	60%	0.595	62%	0.621	S	S	*	*			trans	-172.7	97.1	143.9	18.9	0	0	0	0	108.1	F446	T444-F446 HydrophobicContact CG2-CD2 4.05Å; T444-F446 HydrophobicContact CG2-CE2 3.73Å; T444-F446 PolarHBondContact O-N 2.84Å
445	A	30.1	Very low	42.1	Very low	109 Å²	109	110 Å²	110	90%	0.901	66%	0.662	S	S	*	*			trans	-66.9	86.5	157.9	0	0	0	0	0	107.8	G447	A445-G447 PolarHBondContact O-N 3.32Å
446	F	28.3	Very low	38.9	Very low	165 Å²	165	117.3 Å²	117.3	72%	0.724	69%	0.688	S	S	*	*			trans	-84.3	101.2	154.4	-83.3	-75.5	0	0	0	106.6	T444 F448	T444-F446 HydrophobicContact CG2-CD2 4.05Å; T444-F446 HydrophobicContact CG2-CE2 3.73Å; T444-F446 PolarHBondContact O-N 2.84Å; F446-F448 PolarHBondContact O-N 3.06Å; F446-F448 VanDerWaalsContact O-N 3.12Å
447	G	30.1	Very low	35.8	Very low	73 Å²	73	122 Å²	122	75%	0.753	72%	0.721	S	S	*	*			trans	-60.1	111.3	172.5	0	0	0	0	0	109.9	A445 N449	A445-G447 PolarHBondContact O-N 3.32Å; G447-N449 PolarHBondContact O-N 3.18Å
448	F	26.7	Very low	33.2	Very low	207 Å²	207	125.6 Å²	125.6	91%	0.908	74%	0.743	S	S	*	*			trans	-88.5	94.2	153.3	-85.4	-83.4	0	0	0	107.1	F446	F446-F448 PolarHBondContact O-N 3.06Å; F446-F448 VanDerWaalsContact O-N 3.12Å
449	N	28	Very low	31.3	Very low	162 Å²	162	132 Å²	132	87%	0.866	77%	0.769	S	S	*	*			trans	-64.1	137	162.5	-92.5	-14.7	0	0	0	109.4	G447	G447-N449 PolarHBondContact O-N 3.18Å
450	G	36.9	Very low	30.1	Very low	84 Å²	84	135.2 Å²	135.2	87%	0.866	79%	0.793	S	S	*	*			trans	68.5	95.8	151.7	0	0	0	0	0	116.8
451	G	25.6	Very low	29.4	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	81%	0.805	S	S	*	*			trans	-158.2	120	160	0	0	0	0	0	109.5
452	E	28.2	Very low	28.9	Very low	181 Å²	181	135.5 Å²	135.5	85%	0.846	81%	0.814	S	S	*	*			trans	-46.5	159	-177.3	-76.1	-178.4	154.6	0	0	115.7	M454	E452-M454 PolarHBondContact O-N 2.95Å
453	P	30.2	Very low	28.3	Very low	129 Å²	129	138 Å²	138	84%	0.838	81%	0.813	S	S	*	*			trans	-66	100	179.9	27.9	-33.3	0	0	0	110.2	L455	P453-L455 PolarHBondContact O-N 2.79Å
454	M	28	Very low	27.9	Very low	174 Å²	174	137.7 Å²	137.7	86%	0.857	81%	0.812	S	S	*	*			trans	-63.4	111.6	166.5	-88.7	-164.8	164.7	0	0	108.7	E452 W456	E452-M454 PolarHBondContact O-N 2.95Å; M454-W456 PolarHBondContact O-N 3.26Å
455	L	24.6	Very low	27.8	Very low	166 Å²	166	141 Å²	141	87%	0.869	82%	0.818	S	S	*	*			trans	-44.5	107.1	168.6	-159.1	76.3	0	0	0	109.5	P453 S457	P453-L455 PolarHBondContact O-N 2.79Å; L455-S457 PolarHBondContact O-N 3.03Å; L455-S457 VanDerWaalsContact O-N 3.07Å
456	W	26.1	Very low	27.6	Very low	243 Å²	243	144.5 Å²	144.5	92%	0.92	82%	0.816	S	S	*	*			trans	-67.6	107.3	171.5	-79.9	26.9	0	0	0	107.8	M454	M454-W456 PolarHBondContact O-N 3.26Å
457	S	24.9	Very low	27.6	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-55.9	134.8	164.1	-60.5	0	0	0	0	108.6	L455 M459	L455-S457 PolarHBondContact O-N 3.03Å; L455-S457 VanDerWaalsContact O-N 3.07Å; S457-M459 PolarHBondContact O-N 3.19Å; S457-M459 VanDerWaalsContact O-N 3.12Å
458	P	27.6	Very low	27.5	Very low	121 Å²	121	146.3 Å²	146.3	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-60.8	121.8	173	24.2	-29.2	0	0	0	107.6	S460	P458-S460 PolarHBondContact O-N 2.71Å
459	M	25.3	Very low	28	Very low	189 Å²	189	140.6 Å²	140.6	93%	0.931	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-48.8	119.8	167.2	-93.3	177.1	153.5	0	0	107.6	S457 A461	S457-M459 PolarHBondContact O-N 3.19Å; S457-M459 VanDerWaalsContact O-N 3.12Å; M459-A461 PolarHBondContact O-N 2.9Å
460	S	26.2	Very low	28.5	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-47.6	136.1	177.7	51.6	0	0	0	0	110.5	P458 A462	P458-S460 PolarHBondContact O-N 2.71Å; S460-A462 PolarHBondContact O-N 2.87Å
461	A	26.8	Very low	29.1	Very low	94 Å²	94	140.4 Å²	140.4	78%	0.777	75%	0.753	S	S	*	*			trans	-41.8	123.9	178	0	0	0	0	0	112.8	M459 D463	M459-A461 PolarHBondContact O-N 2.9Å; A461-D463 PolarHBondContact O-N 2.85Å
462	A	28.5	Very low	30.2	Very low	87 Å²	87	141.7 Å²	141.7	72%	0.719	74%	0.738	S	S	*	*			trans	19.6	88.5	144.3	0	0	0	0	0	116.3	S460 Q464	S460-A462 PolarHBondContact O-N 2.87Å; A462-Q464 PolarHBondContact O-N 3.08Å; A462-Q464 VanDerWaalsContact O-N 3.16Å
463	D	25.1	Very low	31.6	Very low	150 Å²	150	137.2 Å²	137.2	80%	0.802	72%	0.719	S	S	*	*			trans	-63.6	112.2	140.7	-90.2	-33.7	0	0	0	106.8	A461 F465	A461-D463 PolarHBondContact O-N 2.85Å; D463-F465 VanDerWaalsContact C-N 3.26Å; D463-F465 PolarHBondContact O-N 2.63Å
464	Q	28.4	Very low	33.5	Very low	169 Å²	169	132.2 Å²	132.2	79%	0.79	69%	0.685	S	S	*	*			trans	-55.8	93.1	171.2	-75.2	178	-17.6	0	0	108.6	A462 Q466	A462-Q464 PolarHBondContact O-N 3.08Å; A462-Q464 VanDerWaalsContact O-N 3.16Å; Q464-Q466 PolarHBondContact O-N 3.37Å
465	F	29.5	Very low	36.1	Very low	166 Å²	166	124.4 Å²	124.4	73%	0.728	65%	0.646	S	S	*	*			trans	-62.1	85.3	160.9	-91.3	-92.9	0	0	0	107.5	D463 N467	D463-F465 VanDerWaalsContact C-N 3.26Å; D463-F465 PolarHBondContact O-N 2.63Å; F465-N467 PolarHBondContact O-N 3Å
466	Q	24.6	Very low	38.9	Very low	183 Å²	183	119.1 Å²	119.1	86%	0.855	62%	0.616	S	S	*	*			trans	-70.1	66.9	158.7	-76.3	-149.2	-4.4	0	0	108.7	Q464	Q464-Q466 PolarHBondContact O-N 3.37Å
467	N	27.7	Very low	41.7	Very low	72 Å²	72	111 Å²	111	39%	0.385	59%	0.585	S	S	.	*			trans	-89.1	124.8	166.2	-124.5	12.1	0	0	0	107.1	F465 E469 K586	F465-N467 PolarHBondContact O-N 3Å; N467-E469 PolarHBondContact O-N 2.89Å; N467-K586 PolarHBondContact ND2-NZ 3.42Å; N467-K586 PolarHBondContact OD1-NZ 2.93Å
468	K	28.6	Very low	44.7	Very low	204 Å²	204	108.2 Å²	108.2	89%	0.887	56%	0.559	S	S	*	*	S	Bend	trans	-60.6	15.2	169.6	-85.7	-179	170.7	-177	0	114	V470	K468-V470 VanDerWaalsContact C-N 3.35Å; K468-V470 PolarHBondContact O-N 3.48Å
469	E	36.8	Very low	47.5	Very low	86 Å²	86	103.1 Å²	103.1	40%	0.402	53%	0.525	S	S	.	.			trans	-91.5	79.8	176.8	-66.7	-169	144.9	0	0	108.7	N467 R471	N467-E469 PolarHBondContact O-N 2.89Å; E469-R471 HydrophobicContact CB-CB 4.49Å; E469-R471 HydrophobicContact CB-CG 4.17Å; E469-R471 PolarHBondContact O-N 2.97Å; E469-R471 IonicContact OE1-CZ 2.8Å; E469-R471 IonicContact OE1-NH1 3.57Å; E469-R471 PolarHBondContact OE1-NH1 3.34Å
470	V	39.2	Very low	50	Low	92 Å²	92	96 Å²	96	56%	0.558	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	23	173.1	170.4	0	0	0	0	112.5	K468 R477	K468-V470 VanDerWaalsContact C-N 3.35Å; K468-V470 PolarHBondContact O-N 3.48Å; V470-R477 PolarHBondContact O-NH2 2.87Å
471	R	48.9	Very low	52.7	Low	150 Å²	150	91.9 Å²	91.9	57%	0.566	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-19.4	-151.7	-67.8	-176.7	178.9	159.7	5.3	115.8	E469	E469-R471 HydrophobicContact CB-CB 4.49Å; E469-R471 HydrophobicContact CB-CG 4.17Å; E469-R471 PolarHBondContact O-N 2.97Å; E469-R471 IonicContact OE1-CZ 2.8Å; E469-R471 IonicContact OE1-NH1 3.57Å; E469-R471 PolarHBondContact OE1-NH1 3.34Å
472	E	49.5	Very low	55.3	Low	106 Å²	106	88.4 Å²	88.4	50%	0.495	43%	0.429	S	S	.	.	S	Bend	trans	-96.5	-9.4	179.7	-78	173.4	-160.2	0	0	114.8	D433 H474 R514	D433-E472 VanDerWaalsContact OD2-OE1 3.12Å; E472-H474 PolarHBondContact O-N 3.06Å; E472-R514 IonicContact OE1-CZ 3.39Å; E472-R514 IonicContact OE1-NE 3.23Å; E472-R514 PolarHBondContact OE1-NE 2.69Å; E472-R514 IonicContact OE1-NH2 2.81Å; E472-R514 PolarHBondContact OE1-NH2 3.12Å
473	I	57.5	Low	57.9	Low	86 Å²	86	85.5 Å²	85.5	44%	0.441	40%	0.399	S	S	.	.			trans	-76.4	-9.6	-175.3	-44.9	178.9	0	0	0	111.2	Y475 F476 R477	I473-Y475 PolarHBondContact O-N 3.11Å; I473-F476 HydrophobicContact CG2-CB 4.47Å; I473-F476 CarbonylContact O-C 3.09Å; I473-F476 WeakPolarHBondContact O-CA 3.2Å; I473-F476 PolarHBondContact O-N 2.77Å; I473-R477 HydrophobicContact CB-CG 4.12Å; I473-R477 HydrophobicContact CG2-CG 3.63Å; I473-R477 WeakPolarHBondContact O-CG 3.1Å; I473-R477 PolarHBondContact O-N 3.22Å
474	H	69.8	Low	60.6	Low	25 Å²	25	81.3 Å²	81.3	12%	0.116	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-39.7	-59.4	-175.6	170	80.6	0	0	0	113.6	E472 F476 R477 E480	E472-H474 PolarHBondContact O-N 3.06Å; H474-F476 VanDerWaalsContact C-N 3.25Å; H474-F476 PolarHBondContact O-N 3.15Å; H474-R477 PolarHBondContact O-N 3.23Å; H474-E480 IonicContact CE1-OE1 3.47Å; H474-E480 PolarHBondContact CE1-OE1 3.39Å; H474-E480 VanDerWaalsContact CE1-OE1 3.25Å; H474-E480 IonicContact CE1-OE2 2.72Å; H474-E480 PolarHBondContact CE1-OE2 3.22Å; H474-E480 IonicContact CG-OE1 3.14Å; H474-E480 IonicContact ND1-OE1 3.71Å; H474-E480 PolarHBondContact ND1-OE1 3.37Å; H474-E480 IonicContact ND1-OE2 2.82Å; H474-E480 PolarHBondContact ND1-OE2 3.11Å; H474-E480 VanDerWaalsContact ND1-OE2 3.08Å
475	Y	81.8	Confident	63.2	Low	10 Å²	10	75 Å²	75	4%	0.039	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-71.1	-14.8	-178.3	-65.6	-75.3	0	0	0	115.3	D349 S351 F352 R379 K381 I473	D349-Y475 WeakPolarHBondContact OD2-CE1 3.5Å; D349-Y475 PolarHBondContact OD2-OH 3.49Å; S351-Y475 PolarHBondContact OG-OH 2.85Å; F352-Y475 AromaticContact CD2-CD1 3.86Å; F352-Y475 HydrophobicContact CD2-CD1 3.86Å; F352-Y475 AromaticContact CD2-CD2 3.84Å; F352-Y475 HydrophobicContact CD2-CD2 3.84Å; F352-Y475 HydrophobicContact CD2-CE2 4.48Å; F352-Y475 AromaticContact CD2-CG 3.45Å; F352-Y475 HydrophobicContact CD2-CG 3.45Å; F352-Y475 VanDerWaalsContact CD2-CG 3.45Å; F352-Y475 HydrophobicContact CE2-CD1 4.16Å; F352-Y475 AromaticContact CE2-CD2 3.25Å; F352-Y475 HydrophobicContact CE2-CD2 3.25Å; F352-Y475 AromaticContact CE2-CE2 3.91Å; F352-Y475 HydrophobicContact CE2-CE2 3.91Å; F352-Y475 AromaticContact CE2-CG 3.37Å; F352-Y475 HydrophobicContact CE2-CG 3.37Å; F352-Y475 HydrophobicContact CZ-CD2 4.26Å; R379-Y475 VanDerWaalsContact CD-OH 3.25Å; R379-Y475 WeakPolarHBondContact CD-OH 3.4Å; K381-Y475 HydrophobicContact CD-CD2 4.42Å; K381-Y475 HydrophobicContact CD-CE2 3.56Å; I473-Y475 PolarHBondContact O-N 3.11Å
476	F	84.2	Confident	65.5	Low	54 Å²	54	71.2 Å²	71.2	24%	0.237	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-113.1	3.5	-177.5	-63.5	-81.5	0	0	0	112.1	P270 F271 F352 I473 H474	P270-F476 WeakPolarHBondContact CD-O 3.27Å; P270-F476 HydrophobicContact CG-CB 4.1Å; P270-F476 WeakPolarHBondContact CG-O 3.32Å; F271-F476 VanDerWaalsContact CE1-O 3.3Å; F271-F476 WeakPolarHBondContact CE1-O 3.27Å; F352-F476 HydrophobicContact CD1-CE2 4.01Å; F352-F476 AromaticContact CD1-CZ 3.57Å; F352-F476 HydrophobicContact CD1-CZ 3.57Å; F352-F476 AromaticContact CE1-CE2 3.48Å; F352-F476 HydrophobicContact CE1-CE2 3.48Å; F352-F476 VanDerWaalsContact CE1-CE2 3.48Å; F352-F476 AromaticContact CE1-CZ 3.42Å; F352-F476 HydrophobicContact CE1-CZ 3.42Å; F352-F476 VanDerWaalsContact CE1-CZ 3.42Å; F352-F476 HydrophobicContact CE2-CE2 4.26Å; F352-F476 HydrophobicContact CG-CZ 4.28Å; F352-F476 AromaticContact CZ-CE2 3.62Å; F352-F476 HydrophobicContact CZ-CE2 3.62Å; F352-F476 HydrophobicContact CZ-CZ 4.05Å; I473-F476 HydrophobicContact CG2-CB 4.47Å; I473-F476 CarbonylContact O-C 3.09Å; I473-F476 WeakPolarHBondContact O-CA 3.2Å; I473-F476 PolarHBondContact O-N 2.77Å; H474-F476 VanDerWaalsContact C-N 3.25Å; H474-F476 PolarHBondContact O-N 3.15Å
477	R	85.3	Confident	67.9	Low	73 Å²	73	69.6 Å²	69.6	28%	0.275	33%	0.326	S	S	.	.			trans	-73	143.3	172.7	-78	-173.3	-170.6	166.8	10.6	108.5	V470 I473 H474	V470-R477 PolarHBondContact O-NH2 2.87Å; I473-R477 HydrophobicContact CB-CG 4.12Å; I473-R477 HydrophobicContact CG2-CG 3.63Å; I473-R477 WeakPolarHBondContact O-CG 3.1Å; I473-R477 PolarHBondContact O-N 3.22Å; H474-R477 PolarHBondContact O-N 3.23Å
478	Y	87.5	Confident	70	Confident	42 Å²	42	68.3 Å²	68.3	17%	0.165	32%	0.317	C	S	.	.	S	Bend	trans	-59.7	-53.1	170.6	177.1	-103.1	0	0	0	110.6	Y187 Y188 S216 N237 F271	Y187-Y478 WeakPolarHBondContact CB-OH 3.5Å; Y187-Y478 HydrophobicContact CD2-CD1 4.15Å; Y187-Y478 AromaticContact CD2-CE1 3.38Å; Y187-Y478 HydrophobicContact CD2-CE1 3.38Å; Y187-Y478 AromaticContact CD2-CZ 3.75Å; Y187-Y478 HydrophobicContact CE2-CD1 4.16Å; Y187-Y478 AromaticContact CE2-CE1 3.76Å; Y187-Y478 HydrophobicContact CE2-CE1 3.76Å; Y187-Y478 HydrophobicContact CG-CE1 4.28Å; Y188-Y478 HydrophobicContact CD1-CD2 4.27Å; Y188-Y478 HydrophobicContact CD1-CE2 4.14Å; Y188-Y478 AromaticContact CE1-CD1 3.84Å; Y188-Y478 HydrophobicContact CE1-CD1 3.84Å; Y188-Y478 AromaticContact CE1-CD2 3.74Å; Y188-Y478 HydrophobicContact CE1-CD2 3.74Å; Y188-Y478 HydrophobicContact CE1-CE1 4.1Å; Y188-Y478 HydrophobicContact CE1-CE2 4.03Å; Y188-Y478 AromaticContact CE1-CG 3.64Å; Y188-Y478 HydrophobicContact CE1-CG 3.64Å; S216-Y478 WeakPolarHBondContact CB-OH 3.22Å; S216-Y478 WeakPolarHBondContact OG-CE1 3.03Å; S216-Y478 PolarHBondContact OG-OH 2.53Å; N237-Y478 HydrophobicContact CB-CE1 4.36Å; N237-Y478 HydrophobicContact CB-CE2 4.11Å; N237-Y478 PolarHBondContact ND2-O 3.06Å; F271-Y478 AromaticContact CD2-CD2 3.76Å; F271-Y478 HydrophobicContact CD2-CD2 3.76Å; F271-Y478 AromaticContact CE2-CD2 3.79Å; F271-Y478 HydrophobicContact CE2-CD2 3.79Å; F271-Y478 HydrophobicContact CG-CD2 4.16Å; F271-Y478 HydrophobicContact CZ-CD2 4.21Å
479	D	86.9	Confident	71.4	Confident	14 Å²	14	65.4 Å²	65.4	8%	0.075	31%	0.311	C	S	.	.			trans	-138.6	110.3	178.5	178.4	-4.6	0	0	0	108.5	Q184 Y236 Y481 A482	Q184-D479 PolarHBondContact NE2-OD2 3Å; Y236-D479 HydrophobicContact CE2-CB 4.39Å; Y236-D479 PolarHBondContact OH-OD1 3.46Å; D479-Y481 PolarHBondContact OD1-N 2.73Å; D479-A482 HydrophobicContact CB-CB 3.94Å; D479-A482 VanDerWaalsContact CG-N 3.34Å; D479-A482 PolarHBondContact OD1-N 3.09Å; D479-A482 WeakPolarHBondContact OD2-CB 3.43Å
480	E	77.9	Confident	72.4	Confident	40 Å²	40	65.3 Å²	65.3	19%	0.187	31%	0.31	C	S	.	.	S	Bend	trans	-71.8	-41	178.6	-170.6	-167.5	-167.7	0	0	111.9	H474 A482 K490	H474-E480 IonicContact CE1-OE1 3.47Å; H474-E480 PolarHBondContact CE1-OE1 3.39Å; H474-E480 VanDerWaalsContact CE1-OE1 3.25Å; H474-E480 IonicContact CE1-OE2 2.72Å; H474-E480 PolarHBondContact CE1-OE2 3.22Å; H474-E480 IonicContact CG-OE1 3.14Å; H474-E480 IonicContact ND1-OE1 3.71Å; H474-E480 PolarHBondContact ND1-OE1 3.37Å; H474-E480 IonicContact ND1-OE2 2.82Å; H474-E480 PolarHBondContact ND1-OE2 3.11Å; H474-E480 VanDerWaalsContact ND1-OE2 3.08Å; E480-A482 PolarHBondContact O-N 2.97Å; E480-K490 PolarHBondContact O-NZ 3.27Å
481	Y	81.6	Confident	72.9	Confident	26 Å²	26	62.1 Å²	62.1	10%	0.102	29%	0.289	C	S	.	.	S	Bend	trans	-82	-3.1	-175	-51.7	-55.7	0	0	0	112.4	R299 D479 R483	R299-Y481 PolarHBondContact NH2-OH 2.78Å; D479-Y481 PolarHBondContact OD1-N 2.73Å; Y481-R483 PolarHBondContact O-N 2.88Å; Y481-R483 VanDerWaalsContact O-N 3.17Å
482	A	81.8	Confident	72.5	Confident	22 Å²	22	63 Å²	63	18%	0.182	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-48.4	120.2	172.3	0	0	0	0	0	111.4	D479 E480 K490	D479-A482 HydrophobicContact CB-CB 3.94Å; D479-A482 VanDerWaalsContact CG-N 3.34Å; D479-A482 PolarHBondContact OD1-N 3.09Å; D479-A482 WeakPolarHBondContact OD2-CB 3.43Å; E480-A482 PolarHBondContact O-N 2.97Å; A482-K490 WeakPolarHBondContact O-CD 3.1Å; A482-K490 PolarHBondContact O-NZ 3.19Å
483	R	83.2	Confident	72	Confident	26 Å²	26	59.3 Å²	59.3	10%	0.098	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-65.1	135.8	174.1	-76.7	-178.7	-75.4	177.1	-31.1	109.8	D138 S157 E159 Y481 K488 K490	D138-R483 IonicContact OD1-NH1 2.8Å; D138-R483 IonicContact OD2-CZ 2.85Å; D138-R483 IonicContact OD2-NH1 3.89Å; D138-R483 PolarHBondContact OD2-NH1 3.11Å; S157-R483 VanDerWaalsContact OG-CZ 3.24Å; S157-R483 PolarHBondContact OG-NH1 3.31Å; S157-R483 PolarHBondContact OG-NH2 2.99Å; E159-R483 IonicContact OE1-NH2 2.94Å; E159-R483 PolarHBondContact OE1-NH2 3.25Å; E159-R483 IonicContact OE2-CZ 2.95Å; E159-R483 VanDerWaalsContact OE2-CZ 3.28Å; E159-R483 IonicContact OE2-NE 3.35Å; E159-R483 PolarHBondContact OE2-NE 2.8Å; E159-R483 IonicContact OE2-NH2 3.67Å; E159-R483 PolarHBondContact OE2-NH2 2.6Å; E159-R483 VanDerWaalsContact OE2-NH2 3.12Å; Y481-R483 PolarHBondContact O-N 2.88Å; Y481-R483 VanDerWaalsContact O-N 3.17Å; R483-K488 VanDerWaalsContact CD-O 3.22Å; R483-K488 WeakPolarHBondContact CD-O 3.32Å; R483-K490 HydrophobicContact CG-CB 4.26Å
484	S	82.3	Confident	70.8	Confident	62 Å²	62	62.1 Å²	62.1	43%	0.434	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-79.5	146.1	163.1	175.6	0	0	0	0	108.1	K486 Y487	S484-K486 PolarHBondContact O-N 3.12Å; S484-K486 PolarHBondContact OG-N 3.17Å; S484-Y487 PolarHBondContact O-N 3.01Å
485	C	83.4	Confident	69.6	Low	37 Å²	37	62.1 Å²	62.1	25%	0.25	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-32.1	169.3	-69.5	0	0	0	0	112.9	T76 I77 C101	T76-C485 WeakPolarHBondContact CG2-O 3.38Å; I77-C485 HydrophobicContact CD1-CB 3.87Å; I77-C485 HydrophobicContact CG1-CB 3.76Å; C101-C485 HydrophobicContact CB-CB 3.56Å; C101-C485 WeakPolarHBondContact CB-SG 3.39Å; C101-C485 VanDerWaalsContact SG-CA 3.5Å; C101-C485 WeakPolarHBondContact SG-CB 3.3Å; C101-C485 CovalentContact SG-SG 2.02Å; C101-C485 PolarHBondContact SG-SG 3.14Å
486	K	76.4	Confident	67.7	Low	85 Å²	85	66.8 Å²	66.8	37%	0.37	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-27.2	-174.4	-166.4	174.6	-172.2	112.5	0	114.7	E56 I77 S484	E56-K486 VanDerWaalsContact CD-NZ 3.31Å; E56-K486 IonicContact OE1-NZ 3.01Å; E56-K486 PolarHBondContact OE1-NZ 3.3Å; E56-K486 IonicContact OE2-NZ 3.53Å; E56-K486 PolarHBondContact OE2-NZ 3.45Å; E56-K486 VanDerWaalsContact OE2-NZ 3.13Å; I77-K486 HydrophobicContact CD1-CB 4.21Å; S484-K486 PolarHBondContact O-N 3.12Å; S484-K486 PolarHBondContact OG-N 3.17Å
487	Y	74.8	Confident	65.8	Low	149 Å²	149	68.8 Å²	68.8	58%	0.584	35%	0.353	S	S	*	.			trans	-130.3	137.5	-169.9	-60.3	-73.7	0	0	0	111	R100 S484	R100-Y487 VanDerWaalsContact NH1-C 3.34Å; R100-Y487 PolarHBondContact NH1-O 3.47Å; S484-Y487 PolarHBondContact O-N 3.01Å
488	K	72.5	Confident	64.2	Low	45 Å²	45	68.2 Å²	68.2	20%	0.196	35%	0.352	C	S	.	.	S	Bend	trans	-77.9	-39.1	-178.9	-61.2	-178.2	-150.9	-147.2	0	111.8	T74 E96 D98 R483	T74-K488 PolarHBondContact OG1-NZ 3.19Å; T74-K488 VanDerWaalsContact OG1-NZ 3.09Å; E96-K488 IonicContact OE1-NZ 2.87Å; E96-K488 PolarHBondContact OE1-NZ 2.77Å; D98-K488 WeakPolarHBondContact OD2-CD 3.48Å; D98-K488 WeakPolarHBondContact OD2-CE 3.06Å; D98-K488 WeakPolarHBondContact OD2-CG 3.09Å; D98-K488 IonicContact OD2-NZ 2.78Å; D98-K488 PolarHBondContact OD2-NZ 2.94Å; D98-K488 VanDerWaalsContact OD2-NZ 3.1Å; R483-K488 VanDerWaalsContact CD-O 3.22Å; R483-K488 WeakPolarHBondContact CD-O 3.32Å
489	D	58.2	Low	62.6	Low	144 Å²	144	66.6 Å²	66.6	77%	0.77	35%	0.347	S	S	*	.			trans	-96.2	113	-169.6	-49.6	-44.9	0	0	0	110.9
490	K	56.8	Low	61.2	Low	84 Å²	84	68.9 Å²	68.9	37%	0.365	36%	0.356	S	S	.	.			trans	-152.6	-14.1	170.2	-138	-163.8	177.8	-154.1	0	115.8	E480 A482 R483 L492	E480-K490 PolarHBondContact O-NZ 3.27Å; A482-K490 WeakPolarHBondContact O-CD 3.1Å; A482-K490 PolarHBondContact O-NZ 3.19Å; R483-K490 HydrophobicContact CG-CB 4.26Å; K490-L492 VanDerWaalsContact C-N 3.34Å
491	E	50.8	Low	60.4	Low	25 Å²	25	74.4 Å²	74.4	12%	0.117	38%	0.379	C	S	.	.	S	Bend	trans	-82	-14.1	-174.8	-65.5	-173.2	150.1	0	0	114	Y181 K215 G493	Y181-E491 WeakPolarHBondContact CE1-OE2 3.24Å; Y181-E491 PolarHBondContact OH-OE2 3.36Å; K215-E491 IonicContact NZ-OE1 3.23Å; K215-E491 PolarHBondContact NZ-OE1 2.85Å; E491-G493 PolarHBondContact O-N 3.33Å
492	L	40.7	Very low	59.9	Low	167 Å²	167	79 Å²	79	87%	0.874	40%	0.402	S	S	*	.	S	Bend	trans	-80.3	73.9	160.6	-75.7	151.5	0	0	0	107.9	K490 I494	K490-L492 VanDerWaalsContact C-N 3.34Å; L492-I494 PolarHBondContact O-N 3.06Å
493	G	38	Very low	59.9	Low	29 Å²	29	78.1 Å²	78.1	30%	0.299	39%	0.394	S	S	.	.			trans	-56.5	90.2	-179.5	0	0	0	0	0	112.6	E491 V495	E491-G493 PolarHBondContact O-N 3.33Å; G493-V495 PolarHBondContact O-N 3.41Å
494	I	34.1	Very low	59.6	Low	146 Å²	146	77.1 Å²	77.1	75%	0.749	39%	0.391	S	S	*	.			trans	-76	100.1	158.6	-58.3	173.4	0	0	0	104.6	L492 T496	L492-I494 PolarHBondContact O-N 3.06Å; I494-T496 VanDerWaalsContact C-N 3.28Å; I494-T496 PolarHBondContact O-N 2.95Å
495	V	43.7	Very low	59.8	Low	25 Å²	25	79.8 Å²	79.8	15%	0.152	40%	0.401	C	S	.	.			trans	-56.8	102.4	163	179.5	0	0	0	0	105.3	G493 L497 F498	G493-V495 PolarHBondContact O-N 3.41Å; V495-L497 PolarHBondContact O-N 3.21Å; V495-F498 HydrophobicContact CG1-CE1 4.48Å; V495-F498 HydrophobicContact CG1-CE2 3.8Å; V495-F498 HydrophobicContact CG1-CZ 3.54Å
496	T	41	Very low	60	Low	108 Å²	108	80.5 Å²	80.5	66%	0.663	40%	0.399	S	S	*	.			trans	-61.1	118.2	-177.9	47.6	0	0	0	0	107.7	I494 F498	I494-T496 VanDerWaalsContact C-N 3.28Å; I494-T496 PolarHBondContact O-N 2.95Å; T496-F498 PolarHBondContact O-N 3.08Å
497	L	44.8	Very low	60.7	Low	95 Å²	95	77.2 Å²	77.2	50%	0.497	39%	0.39	S	S	.	.			trans	-43	123.1	173.6	-85.6	149.8	0	0	0	109.9	V404 I428 V495 V499	V404-L497 HydrophobicContact CG2-CD2 4.31Å; I428-L497 HydrophobicContact CD1-CD2 3.67Å; V495-L497 PolarHBondContact O-N 3.21Å; L497-V499 PolarHBondContact O-N 3.34Å
498	F	51.8	Low	61.5	Low	62 Å²	62	72 Å²	72	27%	0.272	37%	0.37	S	S	.	.	S	Bend	trans	-69.6	-20.7	-167.7	-58.6	-82.9	0	0	0	113.6	V495 T496	V495-F498 HydrophobicContact CG1-CE1 4.48Å; V495-F498 HydrophobicContact CG1-CE2 3.8Å; V495-F498 HydrophobicContact CG1-CZ 3.54Å; T496-F498 PolarHBondContact O-N 3.08Å
499	V	53.1	Low	62.4	Low	7 Å²	7	69.8 Å²	69.8	4%	0.042	36%	0.361	C	S	.	.	S	Bend	trans	-79.1	140.1	173.3	178.6	0	0	0	0	108.6	I428 L497 K501 C503 T509	I428-V499 HydrophobicContact CD1-CG2 4.3Å; I428-V499 HydrophobicContact CG1-CG2 4.46Å; I428-V499 HydrophobicContact CG2-CG2 3.53Å; L497-V499 PolarHBondContact O-N 3.34Å; V499-K501 PolarHBondContact O-N 3.09Å; V499-C503 HydrophobicContact CG1-CB 4.11Å; V499-C503 VanDerWaalsContact CG1-SG 3.53Å; V499-T509 HydrophobicContact CG1-CG2 3.79Å; V499-T509 HydrophobicContact CG2-CG2 4.34Å
500	K	57.7	Low	64	Low	63 Å²	63	63 Å²	63	27%	0.274	33%	0.325	S	S	.	.			trans	-45.6	113.3	167.8	-78.7	179.3	176.2	170.2	0	107.4	E502 C503 S504 Y557 D559 D583	K500-E502 PolarHBondContact O-N 3.33Å; K500-C503 HydrophobicContact CB-CB 4.23Å; K500-C503 WeakPolarHBondContact O-CA 3.26Å; K500-C503 VanDerWaalsContact O-CB 3.31Å; K500-C503 WeakPolarHBondContact O-CB 3.47Å; K500-C503 PolarHBondContact O-N 2.9Å; K500-S504 PolarHBondContact O-N 2.94Å; K500-Y557 WeakPolarHBondContact CD-OH 3.41Å; K500-D559 WeakPolarHBondContact CE-OD2 2.97Å; K500-D559 IonicContact NZ-OD2 3.53Å; K500-D559 PolarHBondContact NZ-OD2 3.49Å; K500-D583 IonicContact NZ-OD2 3.75Å; K500-D583 PolarHBondContact NZ-OD2 2.87Å
501	K	61.7	Low	65.7	Low	155 Å²	155	59.3 Å²	59.3	67%	0.674	31%	0.309	S	S	*	.	H	α-helix	trans	-48.9	-38.4	-174.2	-170	176.5	180	179.1	0	112	V499 C503 S504 D505	V499-K501 PolarHBondContact O-N 3.09Å; K501-C503 VanDerWaalsContact C-N 3.26Å; K501-C503 PolarHBondContact O-N 2.94Å; K501-S504 PolarHBondContact O-N 2.89Å; K501-S504 PolarHBondContact O-OG 2.88Å; K501-D505 PolarHBondContact O-N 2.63Å; K501-D505 VanDerWaalsContact O-N 3.13Å
502	E	71.8	Confident	67.7	Low	123 Å²	123	58.1 Å²	58.1	58%	0.575	30%	0.303	S	S	*	.	H	α-helix	trans	-56.3	-32.5	175	-60.7	174.7	-175.7	0	0	114.4	K500 F506 Y557	K500-E502 PolarHBondContact O-N 3.33Å; E502-F506 WeakPolarHBondContact O-CD2 3.32Å; E502-F506 WeakPolarHBondContact O-CE2 3.3Å; E502-Y557 HydrophobicContact CB-CE2 4.48Å
503	C	80.7	Confident	70.1	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-80.7	-42.8	179.8	150.1	0	0	0	0	111.8	V499 K500 K501 D505 F506 T509 C532 Y557	V499-C503 HydrophobicContact CG1-CB 4.11Å; V499-C503 VanDerWaalsContact CG1-SG 3.53Å; K500-C503 HydrophobicContact CB-CB 4.23Å; K500-C503 WeakPolarHBondContact O-CA 3.26Å; K500-C503 VanDerWaalsContact O-CB 3.31Å; K500-C503 WeakPolarHBondContact O-CB 3.47Å; K500-C503 PolarHBondContact O-N 2.9Å; K501-C503 VanDerWaalsContact C-N 3.26Å; K501-C503 PolarHBondContact O-N 2.94Å; C503-D505 VanDerWaalsContact C-N 3.26Å; C503-D505 PolarHBondContact O-N 3.39Å; C503-F506 PolarHBondContact O-N 2.02Å; C503-T509 VanDerWaalsContact SG-CG2 3.52Å; C503-C532 HydrophobicContact CB-CB 4.09Å; C503-C532 WeakPolarHBondContact CB-SG 3.33Å; C503-C532 WeakPolarHBondContact O-CB 3.26Å; C503-C532 WeakPolarHBondContact SG-CB 3.26Å; C503-C532 CovalentContact SG-SG 2Å; C503-C532 PolarHBondContact SG-SG 2.97Å; C503-Y557 HydrophobicContact CB-CD1 4.16Å; C503-Y557 HydrophobicContact CB-CD2 3.93Å; C503-Y557 HydrophobicContact CB-CE1 4.4Å; C503-Y557 HydrophobicContact CB-CE2 4.12Å; C503-Y557 HydrophobicContact CB-CG 3.99Å
504	S	78.3	Confident	72.7	Confident	5 Å²	5	53.2 Å²	53.2	4%	0.035	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-30.6	175.8	47.7	0	0	0	0	112.8	H427 K500 K501 F506 G507	H427-S504 PolarHBondContact CE1-O 2.99Å; H427-S504 PolarHBondContact NE2-O 2.83Å; H427-S504 VanDerWaalsContact NE2-O 3.14Å; K500-S504 PolarHBondContact O-N 2.94Å; K501-S504 PolarHBondContact O-N 2.89Å; K501-S504 PolarHBondContact O-OG 2.88Å; S504-F506 PolarHBondContact O-N 3.39Å; S504-F506 VanDerWaalsContact O-N 3.09Å; S504-G507 PolarHBondContact O-N 3.21Å
505	D	85.5	Confident	75.5	Confident	118 Å²	118	46.5 Å²	46.5	63%	0.631	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.7	178.7	-65.7	-19.9	0	0	0	113.1	K501 C503	K501-D505 PolarHBondContact O-N 2.63Å; K501-D505 VanDerWaalsContact O-N 3.13Å; C503-D505 VanDerWaalsContact C-N 3.26Å; C503-D505 PolarHBondContact O-N 3.39Å
506	F	87.9	Confident	77.8	Confident	51 Å²	51	48.8 Å²	48.8	22%	0.224	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.5	175.4	-71.9	-83.6	0	0	0	113.5	E502 C503 S504 R531 Q556 Y557 V580 I581	E502-F506 WeakPolarHBondContact O-CD2 3.32Å; E502-F506 WeakPolarHBondContact O-CE2 3.3Å; C503-F506 PolarHBondContact O-N 2.02Å; S504-F506 PolarHBondContact O-N 3.39Å; S504-F506 VanDerWaalsContact O-N 3.09Å; F506-R531 HydrophobicContact CB-CB 4.04Å; F506-R531 WeakPolarHBondContact O-CB 2.99Å; F506-R531 WeakPolarHBondContact O-CD 3.39Å; F506-R531 VanDerWaalsContact O-CG 3.25Å; F506-R531 WeakPolarHBondContact O-CG 3.11Å; F506-Q556 HydrophobicContact CB-CB 4.35Å; F506-Q556 HydrophobicContact CD1-CB 3.55Å; F506-Q556 HydrophobicContact CD1-CG 4.32Å; F506-Q556 HydrophobicContact CE1-CB 4.05Å; F506-Q556 HydrophobicContact CG-CB 4.07Å; F506-Y557 HydrophobicContact CD2-CD2 4.19Å; F506-Y557 AromaticContact CE2-CD2 3.91Å; F506-Y557 HydrophobicContact CE2-CD2 3.91Å; F506-V580 HydrophobicContact CE1-CB 4.18Å; F506-V580 HydrophobicContact CE1-CG1 4.29Å; F506-V580 HydrophobicContact CE1-CG2 4.37Å; F506-V580 HydrophobicContact CZ-CB 4.41Å; F506-V580 HydrophobicContact CZ-CG1 4.3Å; F506-I581 HydrophobicContact CE2-CD1 3.8Å; F506-I581 HydrophobicContact CE2-CG1 4.35Å; F506-I581 HydrophobicContact CZ-CD1 3.83Å; F506-I581 HydrophobicContact CZ-CG1 4.08Å
507	G	90.7	Very high	80.1	Confident	17 Å²	17	43.7 Å²	43.7	18%	0.175	21%	0.21	C	C	.	.	S	Bend	trans	127.9	-142.8	179.3	0	0	0	0	0	113.3	H427 S504 T509	H427-G507 PolarHBondContact CE1-O 3.06Å; S504-G507 PolarHBondContact O-N 3.21Å; G507-T509 PolarHBondContact O-N 2.92Å; G507-T509 VanDerWaalsContact O-N 3.16Å; G507-T509 PolarHBondContact O-OG1 2.79Å
508	K	92	Very high	82.1	Confident	38 Å²	38	45.1 Å²	45.1	17%	0.165	21%	0.212	C	C	.	.			trans	-53.9	121	-175.4	-70.9	-167.5	173	-168.9	0	111.6	K424 F426 H427 E529 L530 R531 C532	K424-K508 PolarHBondContact O-NZ 2.99Å; F426-K508 HydrophobicContact CD2-CG 4.49Å; F426-K508 HydrophobicContact CE1-CD 4.26Å; F426-K508 HydrophobicContact CE2-CB 3.85Å; F426-K508 HydrophobicContact CE2-CD 3.98Å; F426-K508 HydrophobicContact CE2-CG 4.05Å; F426-K508 HydrophobicContact CZ-CB 4.32Å; F426-K508 HydrophobicContact CZ-CD 3.78Å; F426-K508 HydrophobicContact CZ-CG 4.36Å; F426-K508 WeakPolarHBondContact O-CE 3.42Å; H427-K508 CarbonylContact O-C 3.51Å; H427-K508 WeakPolarHBondContact O-CA 3.47Å; K508-E529 HydrophobicContact CD-CB 4.08Å; K508-E529 IonicContact NZ-OE2 3.25Å; K508-E529 PolarHBondContact NZ-OE2 3.23Å; K508-L530 HydrophobicContact CB-CD2 4.26Å; K508-R531 PolarHBondContact O-N 3.4Å; K508-C532 PolarHBondContact O-N 3.45Å; K508-C532 VanDerWaalsContact O-N 3.14Å
509	T	92	Very high	83.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.6	-172.8	-61.8	0	0	0	0	111.2	H427 I429 V499 C503 G507 C532	H427-T509 PolarHBondContact O-N 3.23Å; I429-T509 PolarHBondContact N-O 3.46Å; V499-T509 HydrophobicContact CG1-CG2 3.79Å; V499-T509 HydrophobicContact CG2-CG2 4.34Å; C503-T509 VanDerWaalsContact SG-CG2 3.52Å; G507-T509 PolarHBondContact O-N 2.92Å; G507-T509 VanDerWaalsContact O-N 3.16Å; G507-T509 PolarHBondContact O-OG1 2.79Å; T509-C532 WeakPolarHBondContact CA-O 3.43Å; T509-C532 HydrophobicContact CG2-CB 4.02Å
510	L	91.9	Very high	85.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.5	167.8	179.1	63.5	0	0	0	109.5	L417 I429 L431 V512 L527 L530 C532 L533 N534	L417-L510 HydrophobicContact CD1-CD2 4.26Å; I429-L510 HydrophobicContact CB-CD1 4.18Å; I429-L510 HydrophobicContact CG2-CD1 4.11Å; L431-L510 HydrophobicContact CD1-CD1 4.39Å; L510-V512 HydrophobicContact CD1-CG1 4.19Å; L510-V512 HydrophobicContact CD2-CG1 4.26Å; L510-V512 HydrophobicContact CG-CG1 4.05Å; L510-L527 HydrophobicContact CD2-CD1 3.53Å; L510-L530 HydrophobicContact CB-CD1 3.74Å; L510-L530 HydrophobicContact CB-CD2 3.93Å; L510-L530 HydrophobicContact CD2-CD1 4.11Å; L510-C532 PolarHBondContact N-O 2.9Å; L510-C532 VanDerWaalsContact N-O 3.08Å; L510-L533 HydrophobicContact CB-CD1 4.17Å; L510-L533 HydrophobicContact CD2-CD1 4.16Å; L510-L533 HydrophobicContact CG-CD1 4.24Å; L510-L533 WeakPolarHBondContact O-CA 3.41Å; L510-N534 PolarHBondContact O-N 3.49Å
511	D	91.4	Very high	86.2	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.032	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	107	175.3	175.4	22.1	0	0	0	110.4	I429 S430 L431 S432 S513 N534	I429-D511 PolarHBondContact O-N 3.04Å; S430-D511 PolarHBondContact OG-OD2 2.85Å; L431-D511 CarbonylContact C-O 3.45Å; L431-D511 WeakPolarHBondContact CA-O 3.44Å; L431-D511 PolarHBondContact N-O 2.89Å; S432-D511 PolarHBondContact N-O 3.02Å; D511-S513 WeakPolarHBondContact OD1-CB 3.22Å; D511-S513 PolarHBondContact OD1-N 3.1Å; D511-S513 PolarHBondContact OD1-OG 3.49Å; D511-N534 HydrophobicContact CB-CB 4.32Å; D511-N534 PolarHBondContact OD1-ND2 3.33Å; D511-N534 VanDerWaalsContact OD1-ND2 3.07Å
512	V	92.1	Very high	86.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.			trans	-116.4	30.1	174.8	-72.8	0	0	0	0	110.1	L417 L431 L510 N515 I517 L533 N534 L535 N538	L417-V512 HydrophobicContact CD2-CG1 4.42Å; L431-V512 HydrophobicContact CB-CG1 4.1Å; L431-V512 HydrophobicContact CD1-CG1 4.09Å; L510-V512 HydrophobicContact CD1-CG1 4.19Å; L510-V512 HydrophobicContact CD2-CG1 4.26Å; L510-V512 HydrophobicContact CG-CG1 4.05Å; V512-N515 PolarHBondContact O-ND2 3.07Å; V512-N515 VanDerWaalsContact O-ND2 3.15Å; V512-I517 HydrophobicContact CB-CD1 4.24Å; V512-I517 HydrophobicContact CG2-CD1 4.22Å; V512-L533 HydrophobicContact CG2-CD1 4.01Å; V512-N534 CarbonylContact C-O 3.12Å; V512-N534 VanDerWaalsContact CG2-O 3.26Å; V512-N534 WeakPolarHBondContact CG2-O 3.32Å; V512-N534 PolarHBondContact N-O 3.17Å; V512-L535 HydrophobicContact CG2-CD2 3.56Å; V512-L535 HydrophobicContact CG2-CG 4.15Å; V512-N538 PolarHBondContact O-ND2 2.78Å
513	S	92	Very high	86.5	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.014	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	156.3	177.4	59.5	0	0	0	0	112.7	S432 D433 D511 N515 N534 S536	S432-S513 VanDerWaalsContact CA-O 3.27Å; S432-S513 WeakPolarHBondContact CA-O 2.98Å; D433-S513 PolarHBondContact N-O 3.07Å; D433-S513 VanDerWaalsContact N-O 3.09Å; D511-S513 WeakPolarHBondContact OD1-CB 3.22Å; D511-S513 PolarHBondContact OD1-N 3.1Å; D511-S513 PolarHBondContact OD1-OG 3.49Å; S513-N515 VanDerWaalsContact C-N 3.25Å; S513-N515 PolarHBondContact O-N 3.36Å; S513-N515 PolarHBondContact O-ND2 3.05Å; S513-N534 PolarHBondContact N-O 2.9Å; S513-S536 CarbonylContact C-O 3.13Å; S513-S536 WeakPolarHBondContact CA-O 3.45Å; S513-S536 VanDerWaalsContact CB-O 3.32Å; S513-S536 WeakPolarHBondContact CB-O 3.17Å; S513-S536 VanDerWaalsContact CB-OG 3.24Å; S513-S536 WeakPolarHBondContact CB-OG 3.21Å
514	R	92.5	Very high	85.8	Confident	92 Å²	92	44.6 Å²	44.6	35%	0.347	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	45	178.6	-61.9	-172.5	-64.9	-71.4	-4.3	112.8	D433 E472 S536 G537	D433-R514 WeakPolarHBondContact CA-O 3.01Å; D433-R514 VanDerWaalsContact CG-NE 3.31Å; D433-R514 WeakPolarHBondContact OD1-CB 3.4Å; D433-R514 WeakPolarHBondContact OD1-CD 3.23Å; D433-R514 IonicContact OD1-CZ 2.74Å; D433-R514 IonicContact OD1-NE 3.12Å; D433-R514 PolarHBondContact OD1-NE 2.96Å; D433-R514 IonicContact OD1-NH2 3.43Å; D433-R514 IonicContact OD2-CZ 2.79Å; D433-R514 IonicContact OD2-NE 3.08Å; D433-R514 PolarHBondContact OD2-NE 2.63Å; D433-R514 IonicContact OD2-NH2 2.79Å; D433-R514 PolarHBondContact OD2-NH2 3.23Å; E472-R514 IonicContact OE1-CZ 3.39Å; E472-R514 IonicContact OE1-NE 3.23Å; E472-R514 PolarHBondContact OE1-NE 2.69Å; E472-R514 IonicContact OE1-NH2 2.81Å; E472-R514 PolarHBondContact OE1-NH2 3.12Å; R514-S536 PolarHBondContact N-O 3.45Å; R514-G537 WeakPolarHBondContact CA-O 3.01Å
515	N	93.1	Very high	85.1	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.027	21%	0.206	C	C	.	.	S	Bend	trans	-105.7	-170.3	170.6	-86.9	-86.9	0	0	0	110.2	L431 N434 K435 I436 V512 S513 I517 N538	L431-N515 PolarHBondContact O-ND2 3.02Å; N434-N515 WeakPolarHBondContact CA-OD1 3.45Å; N434-N515 WeakPolarHBondContact CB-OD1 3.41Å; N434-N515 PolarHBondContact O-OD1 3.21Å; K435-N515 PolarHBondContact N-OD1 3.02Å; I436-N515 HydrophobicContact CB-CB 4.33Å; I436-N515 VanDerWaalsContact CB-OD1 3.26Å; I436-N515 WeakPolarHBondContact CB-OD1 3.23Å; I436-N515 VanDerWaalsContact CG1-OD1 3.26Å; I436-N515 WeakPolarHBondContact CG1-OD1 3.41Å; I436-N515 PolarHBondContact N-OD1 2.95Å; V512-N515 PolarHBondContact O-ND2 3.07Å; V512-N515 VanDerWaalsContact O-ND2 3.15Å; S513-N515 VanDerWaalsContact C-N 3.25Å; S513-N515 PolarHBondContact O-N 3.36Å; S513-N515 PolarHBondContact O-ND2 3.05Å; N515-I517 HydrophobicContact CB-CD1 4.36Å; N515-I517 HydrophobicContact CB-CG1 4.24Å; N515-N538 VanDerWaalsContact CA-OD1 3.26Å; N515-N538 WeakPolarHBondContact CA-OD1 3.21Å; N515-N538 WeakPolarHBondContact CB-OD1 3.01Å; N515-N538 PolarHBondContact N-OD1 3.04Å; N515-N538 WeakPolarHBondContact O-CA 3.4Å; N515-N538 PolarHBondContact O-OD1 3.34Å
516	N	91.7	Very high	84.4	Confident	73 Å²	73	43 Å²	43	39%	0.39	20%	0.199	S	C	.	.			trans	-108.6	26.2	-180	-70.7	-6.5	0	0	0	111.7	K435 I436 S437 F518	K435-N516 WeakPolarHBondContact CD-ND2 3.43Å; I436-N516 CarbonylContact O-C 3.36Å; I436-N516 VanDerWaalsContact O-CA 3.3Å; I436-N516 WeakPolarHBondContact O-CA 3.33Å; I436-N516 PolarHBondContact O-N 2.89Å; S437-N516 VanDerWaalsContact CA-O 3.32Å; S437-N516 WeakPolarHBondContact CA-O 3.27Å; N516-F518 WeakPolarHBondContact O-CD1 3.46Å; N516-F518 PolarHBondContact O-N 2.96Å
517	I	89.1	Confident	84	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.			trans	-72.1	100.2	-176.4	-56.8	165.4	0	0	0	108	I436 V512 N515 L520 F524 L535 N538 M540	I436-I517 HydrophobicContact CG2-CG1 4.43Å; I436-I517 WeakPolarHBondContact O-CG1 3.32Å; I436-I517 PolarHBondContact O-N 3.22Å; I436-I517 VanDerWaalsContact O-N 3.12Å; V512-I517 HydrophobicContact CB-CD1 4.24Å; V512-I517 HydrophobicContact CG2-CD1 4.22Å; N515-I517 HydrophobicContact CB-CD1 4.36Å; N515-I517 HydrophobicContact CB-CG1 4.24Å; I517-L520 HydrophobicContact CG2-CD2 3.95Å; I517-L520 HydrophobicContact CG2-CG 4.48Å; I517-F524 HydrophobicContact CD1-CE1 3.97Å; I517-F524 HydrophobicContact CD1-CZ 3.66Å; I517-F524 HydrophobicContact CG1-CZ 4.2Å; I517-F524 HydrophobicContact CG2-CE1 4.46Å; I517-F524 HydrophobicContact CG2-CZ 4.46Å; I517-L535 HydrophobicContact CD1-CD2 3.98Å; I517-N538 CarbonylContact C-O 3.36Å; I517-N538 HydrophobicContact CB-CB 4.1Å; I517-N538 VanDerWaalsContact CB-OD1 3.3Å; I517-N538 WeakPolarHBondContact CB-OD1 3.42Å; I517-N538 VanDerWaalsContact CG1-OD1 3.32Å; I517-N538 WeakPolarHBondContact CG1-OD1 3.26Å; I517-N538 PolarHBondContact N-OD1 3.44Å; I517-N538 VanDerWaalsContact N-OD1 3.11Å; I517-N538 WeakPolarHBondContact O-CB 3.31Å; I517-M540 WeakPolarHBondContact O-CG 3.46Å
518	F	86.2	Confident	83.7	Confident	125 Å²	125	45.7 Å²	45.7	55%	0.548	21%	0.206	S	C	.	.			trans	-93	-17.7	-178.2	57.4	-92.9	0	0	0	113.5	N516	N516-F518 WeakPolarHBondContact O-CD1 3.46Å; N516-F518 PolarHBondContact O-N 2.96Å
519	F	85.4	Confident	83.5	Confident	104 Å²	104	49.2 Å²	49.2	46%	0.456	22%	0.223	S	C	.	.			trans	-143.6	138.3	-177.9	-171.8	-92.7	0	0	0	111.2	H521 Q542	F519-H521 HydrophobicContact CE1-CB 4.48Å; F519-Q542 HydrophobicContact CD2-CB 4.39Å; F519-Q542 HydrophobicContact CD2-CG 4.17Å; F519-Q542 VanDerWaalsContact CE2-CD 3.48Å; F519-Q542 HydrophobicContact CE2-CG 4.02Å
520	L	84.6	Confident	83.4	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	22%	0.223	C	C	.	.			trans	-110	141.8	176.3	-76.7	-179.2	0	0	0	111.8	I517 F524 L525 L535 M540 Q542 E548 F549 F560	I517-L520 HydrophobicContact CG2-CD2 3.95Å; I517-L520 HydrophobicContact CG2-CG 4.48Å; L520-F524 HydrophobicContact CD2-CD1 3.24Å; L520-F524 HydrophobicContact CD2-CE1 3.6Å; L520-F524 HydrophobicContact CD2-CG 4.12Å; L520-L525 HydrophobicContact CD2-CD1 4.29Å; L520-L535 HydrophobicContact CD1-CD1 3.94Å; L520-M540 HydrophobicContact CB-CE 4.01Å; L520-M540 HydrophobicContact CD1-CE 3.38Å; L520-M540 HydrophobicContact CD1-SD 3.99Å; L520-M540 HydrophobicContact CG-CE 3.31Å; L520-M540 HydrophobicContact CG-SD 4.04Å; L520-Q542 PolarHBondContact O-NE2 3.15Å; L520-Q542 PolarHBondContact O-OE1 3.47Å; L520-E548 HydrophobicContact CB-CB 4.22Å; L520-E548 HydrophobicContact CB-CG 4.4Å; L520-F549 HydrophobicContact CD1-CD1 4.4Å; L520-F549 HydrophobicContact CD1-CE1 3.41Å; L520-F549 VanDerWaalsContact CD1-CE1 3.41Å; L520-F549 HydrophobicContact CD1-CE2 4.31Å; L520-F549 HydrophobicContact CD1-CZ 3.36Å; L520-F560 HydrophobicContact CD1-CE2 4.48Å
521	H	80	Confident	83.5	Confident	81 Å²	81	54.5 Å²	54.5	38%	0.375	24%	0.243	S	C	.	.			trans	-130.3	149	172.5	-171.9	-83.9	0	0	0	109.4	F519 R523 F524	F519-H521 HydrophobicContact CE1-CB 4.48Å; H521-R523 PolarHBondContact CE1-NE 2.83Å; H521-R523 VanDerWaalsContact CE1-NE 3.25Å; H521-R523 WeakPolarHBondContact ND1-CB 3.39Å; H521-R523 PolarHBondContact ND1-N 3.32Å; H521-R523 VanDerWaalsContact ND1-N 3.15Å; H521-R523 PolarHBondContact O-N 3.3Å; H521-R523 VanDerWaalsContact O-N 3.1Å; H521-F524 WeakPolarHBondContact O-CA 3.33Å; H521-F524 WeakPolarHBondContact O-CB 3.41Å; H521-F524 PolarHBondContact O-N 3.3Å
522	S	73.9	Confident	83.6	Confident	33 Å²	33	54.2 Å²	54.2	23%	0.231	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-53.9	-34.3	-179.7	57.5	0	0	0	0	114.2	F524 L525 E548 S550 N551	S522-F524 PolarHBondContact O-N 3.36Å; S522-L525 PolarHBondContact O-N 2.96Å; S522-E548 WeakPolarHBondContact CA-O 3.48Å; S522-S550 VanDerWaalsContact CB-OG 3.24Å; S522-S550 WeakPolarHBondContact CB-OG 3.46Å; S522-N551 PolarHBondContact O-ND2 2.99Å
523	R	66.1	Low	83.6	Confident	172 Å²	172	54.2 Å²	54.2	65%	0.649	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-63.2	-22.5	173.4	-70.2	-174.1	-83.5	168.6	-9.5	114.4	D441 H521 L525	D441-R523 IonicContact OD2-NH1 3.96Å; H521-R523 PolarHBondContact CE1-NE 2.83Å; H521-R523 VanDerWaalsContact CE1-NE 3.25Å; H521-R523 WeakPolarHBondContact ND1-CB 3.39Å; H521-R523 PolarHBondContact ND1-N 3.32Å; H521-R523 VanDerWaalsContact ND1-N 3.15Å; H521-R523 PolarHBondContact O-N 3.3Å; H521-R523 VanDerWaalsContact O-N 3.1Å; R523-L525 VanDerWaalsContact C-N 3.25Å; R523-L525 PolarHBondContact O-N 3.49Å
524	F	64.6	Low	83.7	Confident	11 Å²	11	55 Å²	55	5%	0.048	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-64.7	-30.3	-179.2	-174.5	-118.7	0	0	0	112.5	L417 P439 I517 L520 H521 S522	L417-F524 HydrophobicContact CD1-CE1 3.87Å; L417-F524 HydrophobicContact CD1-CE2 3.87Å; L417-F524 HydrophobicContact CD1-CZ 3.48Å; L417-F524 VanDerWaalsContact CD1-CZ 3.48Å; P439-F524 VanDerWaalsContact CD-CD2 3.41Å; P439-F524 HydrophobicContact CG-CD2 3.42Å; P439-F524 VanDerWaalsContact CG-CD2 3.42Å; P439-F524 HydrophobicContact CG-CE2 3.77Å; I517-F524 HydrophobicContact CD1-CE1 3.97Å; I517-F524 HydrophobicContact CD1-CZ 3.66Å; I517-F524 HydrophobicContact CG1-CZ 4.2Å; I517-F524 HydrophobicContact CG2-CE1 4.46Å; I517-F524 HydrophobicContact CG2-CZ 4.46Å; L520-F524 HydrophobicContact CD2-CD1 3.24Å; L520-F524 HydrophobicContact CD2-CE1 3.6Å; L520-F524 HydrophobicContact CD2-CG 4.12Å; H521-F524 WeakPolarHBondContact O-CA 3.33Å; H521-F524 WeakPolarHBondContact O-CB 3.41Å; H521-F524 PolarHBondContact O-N 3.3Å; S522-F524 PolarHBondContact O-N 3.36Å
525	L	64.9	Low	83.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-129.5	55.1	-164.1	-62.5	163.9	0	0	0	111.4	L417 L520 S522 R523 L527 L533 F549 N551 L552	L417-L525 HydrophobicContact CD1-CD2 4.49Å; L520-L525 HydrophobicContact CD2-CD1 4.29Å; S522-L525 PolarHBondContact O-N 2.96Å; R523-L525 VanDerWaalsContact C-N 3.25Å; R523-L525 PolarHBondContact O-N 3.49Å; L525-L527 HydrophobicContact CD2-CD1 3.92Å; L525-L527 PolarHBondContact O-N 3.45Å; L525-L533 HydrophobicContact CD1-CD2 4.11Å; L525-L533 HydrophobicContact CD2-CD2 4.34Å; L525-F549 HydrophobicContact CD1-CD1 3.66Å; L525-F549 HydrophobicContact CD1-CE1 3.86Å; L525-N551 WeakPolarHBondContact O-CB 3.38Å; L525-L552 HydrophobicContact CB-CD1 4.01Å; L525-L552 HydrophobicContact CB-CD2 4.02Å; L525-L552 HydrophobicContact CB-CG 3.93Å; L525-L552 HydrophobicContact CD1-CD1 3.81Å; L525-L552 HydrophobicContact CG-CD1 4.31Å
526	N	70.1	Confident	83.7	Confident	90 Å²	90	51 Å²	51	48%	0.481	23%	0.232	S	C	.	.			trans	-74.1	56.8	170	-167.8	20.8	0	0	0	111.6
527	L	79.8	Confident	83.8	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	23%	0.227	C	C	.	.			trans	-124.3	58.6	-168.5	-43.3	174.7	0	0	0	109.6	L417 M421 L510 L525 E529 L530 L552	L417-L527 HydrophobicContact CB-CD1 4.49Å; M421-L527 HydrophobicContact CE-CD2 4.1Å; M421-L527 HydrophobicContact CG-CD2 3.2Å; M421-L527 HydrophobicContact CG-CG 4.42Å; M421-L527 HydrophobicContact SD-CB 4.11Å; M421-L527 HydrophobicContact SD-CD2 3.6Å; M421-L527 VanDerWaalsContact SD-CD2 3.6Å; M421-L527 HydrophobicContact SD-CG 4.33Å; L510-L527 HydrophobicContact CD2-CD1 3.53Å; L525-L527 HydrophobicContact CD2-CD1 3.92Å; L525-L527 PolarHBondContact O-N 3.45Å; L527-E529 PolarHBondContact O-N 2.92Å; L527-L530 HydrophobicContact CB-CD1 3.57Å; L527-L530 HydrophobicContact CB-CG 3.72Å; L527-L530 HydrophobicContact CD1-CD1 3.53Å; L527-L530 HydrophobicContact CD1-CG 4.45Å; L527-L530 HydrophobicContact CG-CD1 4.19Å; L527-L530 WeakPolarHBondContact O-CB 3.33Å; L527-L530 PolarHBondContact O-N 2.78Å; L527-L552 HydrophobicContact CB-CD2 3.92Å; L527-L552 VanDerWaalsContact O-CD2 3.23Å; L527-L552 WeakPolarHBondContact O-CD2 3.43Å
528	K	84.4	Confident	83.8	Confident	121 Å²	121	48.9 Å²	48.9	53%	0.526	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.1	-172.7	-65.8	-178.7	-179.9	-177.6	0	114.5	N551 N554	K528-N551 WeakPolarHBondContact CG-O 3.43Å; K528-N554 WeakPolarHBondContact O-CB 3.45Å; K528-N554 PolarHBondContact O-ND2 2.94Å
529	E	87.1	Confident	83.9	Confident	113 Å²	113	45.2 Å²	45.2	53%	0.528	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.7	-178.7	-57.9	-172.2	172.7	0	0	113.5	K508 L527	K508-E529 HydrophobicContact CD-CB 4.08Å; K508-E529 IonicContact NZ-OE2 3.25Å; K508-E529 PolarHBondContact NZ-OE2 3.23Å; L527-E529 PolarHBondContact O-N 2.92Å
530	L	90.4	Very high	84.1	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.198	C	C	.	.			trans	-67.1	136.7	-178.2	-71.2	-175.8	0	0	0	111.9	F426 K508 L510 L527 L552 N554 L555	F426-L530 HydrophobicContact CE2-CD2 4.31Å; F426-L530 HydrophobicContact CZ-CD2 4.38Å; K508-L530 HydrophobicContact CB-CD2 4.26Å; L510-L530 HydrophobicContact CB-CD1 3.74Å; L510-L530 HydrophobicContact CB-CD2 3.93Å; L510-L530 HydrophobicContact CD2-CD1 4.11Å; L527-L530 HydrophobicContact CB-CD1 3.57Å; L527-L530 HydrophobicContact CB-CG 3.72Å; L527-L530 HydrophobicContact CD1-CD1 3.53Å; L527-L530 HydrophobicContact CD1-CG 4.45Å; L527-L530 HydrophobicContact CG-CD1 4.19Å; L527-L530 WeakPolarHBondContact O-CB 3.33Å; L527-L530 PolarHBondContact O-N 2.78Å; L530-L552 HydrophobicContact CD1-CD2 4.44Å; L530-N554 CarbonylContact O-C 3.59Å; L530-L555 HydrophobicContact CB-CD1 4.25Å
531	R	93.5	Very high	84.4	Confident	110 Å²	110	42 Å²	42	42%	0.415	21%	0.211	S	C	.	.	S	Bend	trans	-107.6	-33.1	176.3	-63.1	-93.2	-168.8	144.4	-2.5	110.8	F506 K508 Q556 Y557	F506-R531 HydrophobicContact CB-CB 4.04Å; F506-R531 WeakPolarHBondContact O-CB 2.99Å; F506-R531 WeakPolarHBondContact O-CD 3.39Å; F506-R531 VanDerWaalsContact O-CG 3.25Å; F506-R531 WeakPolarHBondContact O-CG 3.11Å; K508-R531 PolarHBondContact O-N 3.4Å; R531-Q556 PolarHBondContact O-N 3.45Å; R531-Y557 PolarHBondContact O-N 3.33Å
532	C	93.6	Very high	84.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.2	174	-174.9	0	0	0	0	112.4	C503 K508 T509 L510 Y557	C503-C532 HydrophobicContact CB-CB 4.09Å; C503-C532 WeakPolarHBondContact CB-SG 3.33Å; C503-C532 WeakPolarHBondContact O-CB 3.26Å; C503-C532 WeakPolarHBondContact SG-CB 3.26Å; C503-C532 CovalentContact SG-SG 2Å; C503-C532 PolarHBondContact SG-SG 2.97Å; K508-C532 PolarHBondContact O-N 3.45Å; K508-C532 VanDerWaalsContact O-N 3.14Å; T509-C532 WeakPolarHBondContact CA-O 3.43Å; T509-C532 HydrophobicContact CG2-CB 4.02Å; L510-C532 PolarHBondContact N-O 2.9Å; L510-C532 VanDerWaalsContact N-O 3.08Å; C532-Y557 WeakPolarHBondContact CA-O 3.11Å
533	L	93.1	Very high	85.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.3	174.3	178.2	61.4	0	0	0	109.6	L510 V512 L525 L535 F549 L552 L555 Y557 L558 D559	L510-L533 HydrophobicContact CB-CD1 4.17Å; L510-L533 HydrophobicContact CD2-CD1 4.16Å; L510-L533 HydrophobicContact CG-CD1 4.24Å; L510-L533 WeakPolarHBondContact O-CA 3.41Å; V512-L533 HydrophobicContact CG2-CD1 4.01Å; L525-L533 HydrophobicContact CD1-CD2 4.11Å; L525-L533 HydrophobicContact CD2-CD2 4.34Å; L533-L535 HydrophobicContact CD1-CG 4.36Å; L533-L535 HydrophobicContact CD2-CD1 3.64Å; L533-L535 HydrophobicContact CD2-CG 4.09Å; L533-L535 HydrophobicContact CG-CD1 4.06Å; L533-L535 HydrophobicContact CG-CG 3.99Å; L533-F549 HydrophobicContact CD2-CE1 4.2Å; L533-L552 HydrophobicContact CD2-CD1 3.64Å; L533-L555 HydrophobicContact CB-CD1 3.78Å; L533-L555 HydrophobicContact CB-CD2 4.21Å; L533-Y557 PolarHBondContact N-O 3.45Å; L533-L558 HydrophobicContact CB-CD1 4.22Å; L533-L558 HydrophobicContact CD2-CD1 4.21Å; L533-L558 HydrophobicContact CG-CD1 4.26Å; L533-D559 PolarHBondContact O-N 3.03Å
534	N	92.8	Very high	87	Confident	19 Å²	19	31.5 Å²	31.5	10%	0.102	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.5	172.9	-176.6	5.7	0	0	0	110.4	L510 D511 V512 S513 S536 D559	L510-N534 PolarHBondContact O-N 3.49Å; D511-N534 HydrophobicContact CB-CB 4.32Å; D511-N534 PolarHBondContact OD1-ND2 3.33Å; D511-N534 VanDerWaalsContact OD1-ND2 3.07Å; V512-N534 CarbonylContact C-O 3.12Å; V512-N534 VanDerWaalsContact CG2-O 3.26Å; V512-N534 WeakPolarHBondContact CG2-O 3.32Å; V512-N534 PolarHBondContact N-O 3.17Å; S513-N534 PolarHBondContact N-O 2.9Å; N534-S536 VanDerWaalsContact OD1-CB 3.29Å; N534-S536 WeakPolarHBondContact OD1-CB 3.24Å; N534-S536 PolarHBondContact OD1-N 3.1Å; N534-S536 PolarHBondContact OD1-OG 2.79Å; N534-D559 HydrophobicContact CB-CB 4.23Å; N534-D559 WeakPolarHBondContact OD1-CB 3.46Å
535	L	92.9	Very high	88.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.			trans	-109.6	14.1	176.9	-79.9	165.4	0	0	0	112	V512 I517 L520 L533 N538 F549 L558 D559 F560 N563	V512-L535 HydrophobicContact CG2-CD2 3.56Å; V512-L535 HydrophobicContact CG2-CG 4.15Å; I517-L535 HydrophobicContact CD1-CD2 3.98Å; L520-L535 HydrophobicContact CD1-CD1 3.94Å; L533-L535 HydrophobicContact CD1-CG 4.36Å; L533-L535 HydrophobicContact CD2-CD1 3.64Å; L533-L535 HydrophobicContact CD2-CG 4.09Å; L533-L535 HydrophobicContact CG-CD1 4.06Å; L533-L535 HydrophobicContact CG-CG 3.99Å; L535-N538 PolarHBondContact O-ND2 3.33Å; L535-F549 HydrophobicContact CD1-CE1 3.74Å; L535-F549 HydrophobicContact CD1-CZ 3.98Å; L535-L558 HydrophobicContact CD1-CD1 4.19Å; L535-D559 CarbonylContact C-O 3.2Å; L535-D559 WeakPolarHBondContact CA-O 3.29Å; L535-D559 PolarHBondContact N-O 3.35Å; L535-F560 HydrophobicContact CB-CD2 4.19Å; L535-F560 HydrophobicContact CD1-CD2 4.19Å; L535-F560 HydrophobicContact CD1-CE2 4.25Å; L535-N563 PolarHBondContact O-ND2 3.35Å
536	S	93.9	Very high	89.7	Confident	14 Å²	14	35.4 Å²	35.4	10%	0.098	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	143.6	-174.8	60.4	0	0	0	0	112.8	S513 R514 N534 N538 D559 S561	S513-S536 CarbonylContact C-O 3.13Å; S513-S536 WeakPolarHBondContact CA-O 3.45Å; S513-S536 VanDerWaalsContact CB-O 3.32Å; S513-S536 WeakPolarHBondContact CB-O 3.17Å; S513-S536 VanDerWaalsContact CB-OG 3.24Å; S513-S536 WeakPolarHBondContact CB-OG 3.21Å; R514-S536 PolarHBondContact N-O 3.45Å; N534-S536 VanDerWaalsContact OD1-CB 3.29Å; N534-S536 WeakPolarHBondContact OD1-CB 3.24Å; N534-S536 PolarHBondContact OD1-N 3.1Å; N534-S536 PolarHBondContact OD1-OG 2.79Å; S536-N538 PolarHBondContact O-N 3.3Å; S536-D559 PolarHBondContact N-O 3.1Å; S536-S561 CarbonylContact C-O 3.2Å; S536-S561 WeakPolarHBondContact CA-O 3.5Å; S536-S561 WeakPolarHBondContact CB-O 3.03Å; S536-S561 WeakPolarHBondContact CB-OG 3.4Å
537	G	92.9	Very high	90.7	Very high	27 Å²	27	34 Å²	34	28%	0.278	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	26.7	173	0	0	0	0	0	115.8	R514 S561 S562	R514-G537 WeakPolarHBondContact CA-O 3.01Å; G537-S561 PolarHBondContact N-O 2.85Å; G537-S562 WeakPolarHBondContact CA-O 2.98Å; G537-S562 PolarHBondContact N-O 2.6Å
538	N	90.5	Very high	91.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.193	C	C	.	.	S	Bend	trans	-95.4	0.2	-178.9	-88.2	-78.9	0	0	0	114.6	V512 N515 I517 L535 S536 M540 N563	V512-N538 PolarHBondContact O-ND2 2.78Å; N515-N538 VanDerWaalsContact CA-OD1 3.26Å; N515-N538 WeakPolarHBondContact CA-OD1 3.21Å; N515-N538 WeakPolarHBondContact CB-OD1 3.01Å; N515-N538 PolarHBondContact N-OD1 3.04Å; N515-N538 WeakPolarHBondContact O-CA 3.4Å; N515-N538 PolarHBondContact O-OD1 3.34Å; I517-N538 CarbonylContact C-O 3.36Å; I517-N538 HydrophobicContact CB-CB 4.1Å; I517-N538 VanDerWaalsContact CB-OD1 3.3Å; I517-N538 WeakPolarHBondContact CB-OD1 3.42Å; I517-N538 VanDerWaalsContact CG1-OD1 3.32Å; I517-N538 WeakPolarHBondContact CG1-OD1 3.26Å; I517-N538 PolarHBondContact N-OD1 3.44Å; I517-N538 VanDerWaalsContact N-OD1 3.11Å; I517-N538 WeakPolarHBondContact O-CB 3.31Å; L535-N538 PolarHBondContact O-ND2 3.33Å; S536-N538 PolarHBondContact O-N 3.3Å; N538-M540 HydrophobicContact CB-CG 3.99Å; N538-M540 PolarHBondContact O-N 3.13Å; N538-N563 WeakPolarHBondContact CA-OD1 3.4Å; N538-N563 WeakPolarHBondContact CB-OD1 2.7Å; N538-N563 PolarHBondContact N-OD1 3.27Å
539	A	86.9	Confident	91.5	Very high	47 Å²	47	28.4 Å²	28.4	39%	0.388	17%	0.169	S	C	.	.			trans	55.5	29	-175.3	0	0	0	0	0	114	S541 N563	A539-S541 PolarHBondContact O-N 3.31Å; A539-S541 PolarHBondContact O-OG 3.44Å; A539-N563 PolarHBondContact N-OD1 3.39Å; A539-N563 VanDerWaalsContact N-OD1 3.09Å
540	M	89.9	Confident	91.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	16%	0.161	C	C	.	.			trans	-63.6	127	179.2	-72.7	-174.7	63.5	0	0	112.5	I517 L520 N538 F560 N563 R564	I517-M540 WeakPolarHBondContact O-CG 3.46Å; L520-M540 HydrophobicContact CB-CE 4.01Å; L520-M540 HydrophobicContact CD1-CE 3.38Å; L520-M540 HydrophobicContact CD1-SD 3.99Å; L520-M540 HydrophobicContact CG-CE 3.31Å; L520-M540 HydrophobicContact CG-SD 4.04Å; N538-M540 HydrophobicContact CB-CG 3.99Å; N538-M540 PolarHBondContact O-N 3.13Å; M540-F560 HydrophobicContact CB-CZ 4.05Å; M540-F560 HydrophobicContact CE-CE2 3.69Å; M540-F560 HydrophobicContact CE-CZ 3.48Å; M540-F560 VanDerWaalsContact CE-CZ 3.48Å; M540-F560 HydrophobicContact CG-CZ 4.39Å; M540-F560 HydrophobicContact SD-CD2 4.5Å; M540-F560 HydrophobicContact SD-CE2 3.42Å; M540-F560 WeakPolarHBondContact SD-CE2 3.48Å; M540-F560 HydrophobicContact SD-CZ 3.48Å; M540-F560 WeakPolarHBondContact SD-CZ 3.34Å; M540-N563 HydrophobicContact CB-CB 4.14Å; M540-N563 PolarHBondContact N-OD1 2.94Å; M540-N563 VanDerWaalsContact N-OD1 3.13Å; M540-R564 CarbonylContact O-C 3.42Å; M540-R564 WeakPolarHBondContact O-CA 3.34Å; M540-R564 VanDerWaalsContact O-CB 3.28Å; M540-R564 WeakPolarHBondContact O-CB 3.41Å; M540-R564 PolarHBondContact O-N 3.03Å; M540-R564 VanDerWaalsContact O-O 3.05Å
541	S	90.1	Very high	91.3	Very high	39 Å²	39	27.8 Å²	27.8	27%	0.273	17%	0.173	S	C	.	.			trans	-116.2	17.1	-177.9	-53.6	0	0	0	0	113.9	A539 R564 Y590	A539-S541 PolarHBondContact O-N 3.31Å; A539-S541 PolarHBondContact O-OG 3.44Å; S541-R564 WeakPolarHBondContact CA-O 3.48Å; S541-R564 WeakPolarHBondContact OG-CD 3.42Å; S541-Y590 PolarHBondContact O-OH 3.16Å
542	Q	88.1	Confident	91.1	Very high	25 Å²	25	22.6 Å²	22.6	12%	0.117	15%	0.153	C	C	.	.			trans	-80.5	137	-174.7	-177.5	174	-5.3	0	0	112	F519 L520 L544 E548	F519-Q542 HydrophobicContact CD2-CB 4.39Å; F519-Q542 HydrophobicContact CD2-CG 4.17Å; F519-Q542 VanDerWaalsContact CE2-CD 3.48Å; F519-Q542 HydrophobicContact CE2-CG 4.02Å; L520-Q542 PolarHBondContact O-NE2 3.15Å; L520-Q542 PolarHBondContact O-OE1 3.47Å; Q542-L544 HydrophobicContact CB-CD2 4.44Å; Q542-L544 HydrophobicContact CG-CD2 4.22Å; Q542-L544 PolarHBondContact O-N 3.41Å; Q542-E548 VanDerWaalsContact NE2-CG 3.25Å; Q542-E548 PolarHBondContact NE2-OE1 2.92Å
543	S	93.5	Very high	90.7	Very high	39 Å²	39	25.5 Å²	25.5	27%	0.273	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-78.4	96.9	169.6	-37.9	0	0	0	0	109.8	N545 D566	S543-N545 PolarHBondContact O-N 3.36Å; S543-D566 WeakPolarHBondContact CA-O 3.47Å; S543-D566 WeakPolarHBondContact CB-OD2 3.28Å; S543-D566 PolarHBondContact OG-OD2 3.06Å
544	L	93.9	Very high	90.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	19%	0.19	C	C	.	.			trans	-68.3	125.5	-174	-59	179.2	0	0	0	111.2	Q542 E548 F549 F560 L565 A572 F573	Q542-L544 HydrophobicContact CB-CD2 4.44Å; Q542-L544 HydrophobicContact CG-CD2 4.22Å; Q542-L544 PolarHBondContact O-N 3.41Å; L544-E548 HydrophobicContact CD2-CB 4.26Å; L544-E548 HydrophobicContact CD2-CG 3.71Å; L544-F549 HydrophobicContact CD1-CE2 4.31Å; L544-F560 HydrophobicContact CD1-CZ 4.15Å; L544-L565 HydrophobicContact CD1-CD1 3.53Å; L544-L565 HydrophobicContact CG-CD1 3.84Å; L544-A572 HydrophobicContact CB-CB 4.18Å; L544-A572 WeakPolarHBondContact O-CB 3.14Å; L544-F573 HydrophobicContact CD1-CD1 4.04Å; L544-F573 HydrophobicContact CD1-CE1 3.26Å; L544-F573 HydrophobicContact CD1-CE2 4.19Å; L544-F573 HydrophobicContact CD1-CZ 3.36Å
545	N	93.6	Very high	90.8	Very high	73 Å²	73	28.1 Å²	28.1	39%	0.39	19%	0.185	S	C	.	.			trans	-108.1	-6.4	-178.7	70.9	14.8	0	0	0	113.8	S543 S547 E548 Y569 T571	S543-N545 PolarHBondContact O-N 3.36Å; N545-S547 WeakPolarHBondContact OD1-CB 3.21Å; N545-S547 PolarHBondContact OD1-N 3.16Å; N545-S547 PolarHBondContact OD1-OG 2.97Å; N545-E548 PolarHBondContact N-OE1 2.92Å; N545-E548 PolarHBondContact N-OE2 2.71Å; N545-Y569 HydrophobicContact CB-CD2 3.78Å; N545-Y569 HydrophobicContact CB-CE2 4.12Å; N545-Y569 HydrophobicContact CB-CG 4.27Å; N545-T571 VanDerWaalsContact O-CB 3.25Å; N545-T571 WeakPolarHBondContact O-CB 3.16Å; N545-T571 PolarHBondContact O-OG1 3.13Å
546	G	91.8	Very high	90.9	Very high	20 Å²	20	30.2 Å²	30.2	21%	0.206	20%	0.195	C	C	.	.	S	Bend	trans	100.4	25.9	177.6	0	0	0	0	0	114.3	E548 T571 E575	G546-E548 PolarHBondContact N-OE2 2.84Å; G546-E548 VanDerWaalsContact N-OE2 3.1Å; G546-T571 WeakPolarHBondContact CA-O 3.5Å; G546-E575 VanDerWaalsContact C-CD 3.4Å; G546-E575 WeakPolarHBondContact CA-OE2 3.41Å
547	S	91.3	Very high	91	Very high	60 Å²	60	29.6 Å²	29.6	42%	0.42	19%	0.19	S	C	.	.			trans	-116.4	-19.2	177.9	64.1	0	0	0	0	113.2	N545 F549 S550	N545-S547 WeakPolarHBondContact OD1-CB 3.21Å; N545-S547 PolarHBondContact OD1-N 3.16Å; N545-S547 PolarHBondContact OD1-OG 2.97Å; S547-F549 PolarHBondContact O-N 3.16Å; S547-S550 WeakPolarHBondContact O-CB 3.37Å; S547-S550 PolarHBondContact O-N 3.01Å; S547-S550 PolarHBondContact O-OG 3.05Å; S547-S550 VanDerWaalsContact O-OG 3.1Å
548	E	89.8	Confident	91.1	Very high	5 Å²	5	28.3 Å²	28.3	2%	0.023	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-35.9	-169.6	-65.1	81.5	179.2	0	0	112.4	L520 S522 Q542 L544 N545 G546 E575	L520-E548 HydrophobicContact CB-CB 4.22Å; L520-E548 HydrophobicContact CB-CG 4.4Å; S522-E548 WeakPolarHBondContact CA-O 3.48Å; Q542-E548 VanDerWaalsContact NE2-CG 3.25Å; Q542-E548 PolarHBondContact NE2-OE1 2.92Å; L544-E548 HydrophobicContact CD2-CB 4.26Å; L544-E548 HydrophobicContact CD2-CG 3.71Å; N545-E548 PolarHBondContact N-OE1 2.92Å; N545-E548 PolarHBondContact N-OE2 2.71Å; G546-E548 PolarHBondContact N-OE2 2.84Å; G546-E548 VanDerWaalsContact N-OE2 3.1Å; E548-E575 PolarHBondContact N-OE1 2.03Å
549	F	91.1	Very high	91.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	23.4	-177.8	-54.8	-74.5	0	0	0	113.7	L520 L525 L533 L535 L544 S547 N551 L552 L558 F560 F573 E575 L576	L520-F549 HydrophobicContact CD1-CD1 4.4Å; L520-F549 HydrophobicContact CD1-CE1 3.41Å; L520-F549 VanDerWaalsContact CD1-CE1 3.41Å; L520-F549 HydrophobicContact CD1-CE2 4.31Å; L520-F549 HydrophobicContact CD1-CZ 3.36Å; L525-F549 HydrophobicContact CD1-CD1 3.66Å; L525-F549 HydrophobicContact CD1-CE1 3.86Å; L533-F549 HydrophobicContact CD2-CE1 4.2Å; L535-F549 HydrophobicContact CD1-CE1 3.74Å; L535-F549 HydrophobicContact CD1-CZ 3.98Å; L544-F549 HydrophobicContact CD1-CE2 4.31Å; S547-F549 PolarHBondContact O-N 3.16Å; F549-N551 PolarHBondContact O-N 3.02Å; F549-L552 HydrophobicContact CB-CB 4.42Å; F549-L552 HydrophobicContact CD1-CD1 3.96Å; F549-L552 PolarHBondContact O-N 3Å; F549-L558 HydrophobicContact CE2-CD2 4.23Å; F549-L558 HydrophobicContact CZ-CD2 4.21Å; F549-F560 HydrophobicContact CZ-CD2 4.45Å; F549-F560 HydrophobicContact CZ-CE2 4.18Å; F549-F573 HydrophobicContact CD2-CD1 4.4Å; F549-F573 HydrophobicContact CE2-CD1 4.05Å; F549-F573 HydrophobicContact CE2-CE1 4.08Å; F549-E575 HydrophobicContact CB-CG 3.83Å; F549-E575 WeakPolarHBondContact CB-OE1 3.42Å; F549-E575 WeakPolarHBondContact CD2-OE1 2.89Å; F549-E575 PolarHBondContact N-OE1 2.89Å; F549-L576 HydrophobicContact CB-CD1 4.41Å; F549-L576 HydrophobicContact CB-CD2 3.6Å; F549-L576 HydrophobicContact CB-CG 4.07Å; F549-L576 HydrophobicContact CD2-CD1 4.13Å; F549-L576 HydrophobicContact CG-CD1 4.35Å; F549-L576 HydrophobicContact CG-CD2 4.31Å
550	S	88.9	Confident	91.7	Very high	53 Å²	53	26.3 Å²	26.3	37%	0.371	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.5	-171.7	51.4	0	0	0	0	114.6	S522 S547	S522-S550 VanDerWaalsContact CB-OG 3.24Å; S522-S550 WeakPolarHBondContact CB-OG 3.46Å; S547-S550 WeakPolarHBondContact O-CB 3.37Å; S547-S550 PolarHBondContact O-N 3.01Å; S547-S550 PolarHBondContact O-OG 3.05Å; S547-S550 VanDerWaalsContact O-OG 3.1Å
551	N	85.8	Confident	92	Very high	48 Å²	48	26.9 Å²	26.9	26%	0.257	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9	176.2	-73.2	-31.7	0	0	0	114.5	S522 L525 K528 F549 T553	S522-N551 PolarHBondContact O-ND2 2.99Å; L525-N551 WeakPolarHBondContact O-CB 3.38Å; K528-N551 WeakPolarHBondContact CG-O 3.43Å; F549-N551 PolarHBondContact O-N 3.02Å; N551-T553 PolarHBondContact O-N 2.83Å
552	L	88.5	Confident	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.164	C	C	.	.			trans	-99.9	50.9	-176.7	-62.6	-171.1	0	0	0	112.6	L525 L527 L530 L533 F549 N554 L555 L576	L525-L552 HydrophobicContact CB-CD1 4.01Å; L525-L552 HydrophobicContact CB-CD2 4.02Å; L525-L552 HydrophobicContact CB-CG 3.93Å; L525-L552 HydrophobicContact CD1-CD1 3.81Å; L525-L552 HydrophobicContact CG-CD1 4.31Å; L527-L552 HydrophobicContact CB-CD2 3.92Å; L527-L552 VanDerWaalsContact O-CD2 3.23Å; L527-L552 WeakPolarHBondContact O-CD2 3.43Å; L530-L552 HydrophobicContact CD1-CD2 4.44Å; L533-L552 HydrophobicContact CD2-CD1 3.64Å; F549-L552 HydrophobicContact CB-CB 4.42Å; F549-L552 HydrophobicContact CD1-CD1 3.96Å; F549-L552 PolarHBondContact O-N 3Å; L552-N554 VanDerWaalsContact C-N 3.25Å; L552-N554 PolarHBondContact O-N 3.35Å; L552-L555 HydrophobicContact CB-CB 4.24Å; L552-L555 HydrophobicContact CD1-CD2 4.26Å; L552-L555 WeakPolarHBondContact O-CB 3.49Å; L552-L555 PolarHBondContact O-N 3.14Å; L552-L576 HydrophobicContact CB-CD2 4.21Å
553	T	86.1	Confident	92.6	Very high	61 Å²	61	26 Å²	26	37%	0.374	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.6	-173.1	55.4	0	0	0	0	114.4	N551 N578	N551-T553 PolarHBondContact O-N 2.83Å; T553-N578 PolarHBondContact O-ND2 3.09Å
554	N	91.8	Very high	92.6	Very high	74 Å²	74	29.4 Å²	29.4	40%	0.396	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	3.4	179.7	-66.7	-41.5	0	0	0	114	K528 L530 L552 Q556	K528-N554 WeakPolarHBondContact O-CB 3.45Å; K528-N554 PolarHBondContact O-ND2 2.94Å; L530-N554 CarbonylContact O-C 3.59Å; L552-N554 VanDerWaalsContact C-N 3.25Å; L552-N554 PolarHBondContact O-N 3.35Å; N554-Q556 PolarHBondContact O-N 2.88Å
555	L	94.2	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.			trans	-66	130	-177.4	-160.4	73.5	0	0	0	110.7	L530 L533 L552 L558 L576 N578 L579	L530-L555 HydrophobicContact CB-CD1 4.25Å; L533-L555 HydrophobicContact CB-CD1 3.78Å; L533-L555 HydrophobicContact CB-CD2 4.21Å; L552-L555 HydrophobicContact CB-CB 4.24Å; L552-L555 HydrophobicContact CD1-CD2 4.26Å; L552-L555 WeakPolarHBondContact O-CB 3.49Å; L552-L555 PolarHBondContact O-N 3.14Å; L555-L558 HydrophobicContact CD2-CB 4.03Å; L555-L558 HydrophobicContact CD2-CD1 4.27Å; L555-L576 HydrophobicContact CB-CD2 4.13Å; L555-L576 HydrophobicContact CD2-CD1 4.32Å; L555-L576 HydrophobicContact CD2-CD2 4Å; L555-N578 CarbonylContact O-C 3.16Å; L555-L579 HydrophobicContact CD2-CD1 4.42Å; L555-L579 HydrophobicContact CG-CD1 4.5Å; L555-L579 WeakPolarHBondContact O-CA 3.47Å; L555-L579 PolarHBondContact O-N 2.84Å
556	Q	95.7	Very high	92.5	Very high	44 Å²	44	26.9 Å²	26.9	21%	0.206	15%	0.154	C	C	.	.			trans	-113.3	-29.5	-178.5	-66.5	179.8	-39.4	0	0	111.8	F506 R531 N554 V580 I581	F506-Q556 HydrophobicContact CB-CB 4.35Å; F506-Q556 HydrophobicContact CD1-CB 3.55Å; F506-Q556 HydrophobicContact CD1-CG 4.32Å; F506-Q556 HydrophobicContact CE1-CB 4.05Å; F506-Q556 HydrophobicContact CG-CB 4.07Å; R531-Q556 PolarHBondContact O-N 3.45Å; N554-Q556 PolarHBondContact O-N 2.88Å; Q556-V580 HydrophobicContact CB-CG2 4.26Å; Q556-V580 HydrophobicContact CG-CG2 4.48Å; Q556-V580 WeakPolarHBondContact O-CA 3.43Å; Q556-V580 WeakPolarHBondContact O-CB 3.28Å; Q556-V580 PolarHBondContact O-N 2.88Å; Q556-I581 PolarHBondContact O-N 3.38Å
557	Y	95.9	Very high	92.6	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.4	176.4	-168.9	-56.2	0	0	0	109.9	K500 E502 C503 F506 R531 C532 L533 D559 I581	K500-Y557 WeakPolarHBondContact CD-OH 3.41Å; E502-Y557 HydrophobicContact CB-CE2 4.48Å; C503-Y557 HydrophobicContact CB-CD1 4.16Å; C503-Y557 HydrophobicContact CB-CD2 3.93Å; C503-Y557 HydrophobicContact CB-CE1 4.4Å; C503-Y557 HydrophobicContact CB-CE2 4.12Å; C503-Y557 HydrophobicContact CB-CG 3.99Å; F506-Y557 HydrophobicContact CD2-CD2 4.19Å; F506-Y557 AromaticContact CE2-CD2 3.91Å; F506-Y557 HydrophobicContact CE2-CD2 3.91Å; R531-Y557 PolarHBondContact O-N 3.33Å; C532-Y557 WeakPolarHBondContact CA-O 3.11Å; L533-Y557 PolarHBondContact N-O 3.45Å; Y557-D559 HydrophobicContact CE1-CB 3.93Å; Y557-I581 WeakPolarHBondContact CA-O 3.39Å; Y557-I581 HydrophobicContact CD2-CB 3.72Å; Y557-I581 HydrophobicContact CD2-CD1 3.83Å; Y557-I581 HydrophobicContact CD2-CG1 4.21Å; Y557-I581 HydrophobicContact CD2-CG2 3.9Å; Y557-I581 HydrophobicContact CE1-CG2 4.46Å; Y557-I581 HydrophobicContact CE2-CB 3.98Å; Y557-I581 HydrophobicContact CE2-CD1 3.92Å; Y557-I581 HydrophobicContact CE2-CG2 3.6Å; Y557-I581 HydrophobicContact CG-CB 4.15Å; Y557-I581 HydrophobicContact CG-CG2 4.45Å
558	L	95.8	Very high	92.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.5	169.9	178.3	59.7	0	0	0	110.4	L533 L535 F549 L555 F560 F573 L576 L579 I581 L582 D583	L533-L558 HydrophobicContact CB-CD1 4.22Å; L533-L558 HydrophobicContact CD2-CD1 4.21Å; L533-L558 HydrophobicContact CG-CD1 4.26Å; L535-L558 HydrophobicContact CD1-CD1 4.19Å; F549-L558 HydrophobicContact CE2-CD2 4.23Å; F549-L558 HydrophobicContact CZ-CD2 4.21Å; L555-L558 HydrophobicContact CD2-CB 4.03Å; L555-L558 HydrophobicContact CD2-CD1 4.27Å; L558-F560 HydrophobicContact CG-CB 4.46Å; L558-F573 HydrophobicContact CD2-CD1 3.95Å; L558-F573 HydrophobicContact CD2-CE1 3.89Å; L558-L576 HydrophobicContact CD2-CD1 3.71Å; L558-L579 HydrophobicContact CB-CD1 3.8Å; L558-I581 PolarHBondContact N-O 3.41Å; L558-L582 HydrophobicContact CB-CD1 4.06Å; L558-L582 HydrophobicContact CD2-CD1 3.91Å; L558-L582 HydrophobicContact CG-CD1 4.07Å; L558-D583 PolarHBondContact O-N 3Å
559	D	95.1	Very high	93.1	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.7	166	-159	-34.5	0	0	0	109.7	K500 L533 N534 L535 S536 Y557 S561	K500-D559 WeakPolarHBondContact CE-OD2 2.97Å; K500-D559 IonicContact NZ-OD2 3.53Å; K500-D559 PolarHBondContact NZ-OD2 3.49Å; L533-D559 PolarHBondContact O-N 3.03Å; N534-D559 HydrophobicContact CB-CB 4.23Å; N534-D559 WeakPolarHBondContact OD1-CB 3.46Å; L535-D559 CarbonylContact C-O 3.2Å; L535-D559 WeakPolarHBondContact CA-O 3.29Å; L535-D559 PolarHBondContact N-O 3.35Å; S536-D559 PolarHBondContact N-O 3.1Å; Y557-D559 HydrophobicContact CE1-CB 3.93Å; D559-S561 WeakPolarHBondContact OD1-CB 3.23Å; D559-S561 PolarHBondContact OD1-N 3.24Å; D559-S561 PolarHBondContact OD1-OG 3.23Å
560	F	95.5	Very high	93.2	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.173	C	C	.	.			trans	-116.7	19.3	176.7	-153.9	-95.7	0	0	0	111.1	L520 L535 M540 L544 F549 L558 N563 L565 D583 I584 N587	L520-F560 HydrophobicContact CD1-CE2 4.48Å; L535-F560 HydrophobicContact CB-CD2 4.19Å; L535-F560 HydrophobicContact CD1-CD2 4.19Å; L535-F560 HydrophobicContact CD1-CE2 4.25Å; M540-F560 HydrophobicContact CB-CZ 4.05Å; M540-F560 HydrophobicContact CE-CE2 3.69Å; M540-F560 HydrophobicContact CE-CZ 3.48Å; M540-F560 VanDerWaalsContact CE-CZ 3.48Å; M540-F560 HydrophobicContact CG-CZ 4.39Å; M540-F560 HydrophobicContact SD-CD2 4.5Å; M540-F560 HydrophobicContact SD-CE2 3.42Å; M540-F560 WeakPolarHBondContact SD-CE2 3.48Å; M540-F560 HydrophobicContact SD-CZ 3.48Å; M540-F560 WeakPolarHBondContact SD-CZ 3.34Å; L544-F560 HydrophobicContact CD1-CZ 4.15Å; F549-F560 HydrophobicContact CZ-CD2 4.45Å; F549-F560 HydrophobicContact CZ-CE2 4.18Å; L558-F560 HydrophobicContact CG-CB 4.46Å; F560-N563 HydrophobicContact CD1-CB 4.16Å; F560-N563 HydrophobicContact CE1-CB 3.95Å; F560-N563 PolarHBondContact O-ND2 3.16Å; F560-N563 VanDerWaalsContact O-ND2 3.11Å; F560-L565 HydrophobicContact CD1-CB 4.21Å; F560-L565 HydrophobicContact CD1-CD1 4.35Å; F560-L565 HydrophobicContact CD1-CD2 4.35Å; F560-L565 HydrophobicContact CE1-CB 3.93Å; F560-L565 HydrophobicContact CE1-CD1 3.8Å; F560-L565 HydrophobicContact CE1-CG 4.3Å; F560-L565 HydrophobicContact CZ-CD1 4.49Å; F560-D583 CarbonylContact C-O 3.56Å; F560-D583 VanDerWaalsContact CA-O 3.28Å; F560-D583 WeakPolarHBondContact CA-O 3.31Å; F560-D583 WeakPolarHBondContact CB-O 3.49Å; F560-D583 PolarHBondContact N-O 3.24Å; F560-I584 HydrophobicContact CB-CG2 4.15Å; F560-N587 PolarHBondContact O-ND2 3.48Å
561	S	95.1	Very high	93.5	Very high	14 Å²	14	32.8 Å²	32.8	10%	0.098	17%	0.17	C	C	.	.			trans	-70.2	157.9	-174.2	66.5	0	0	0	0	113.2	S536 G537 D559 N563 D583 S585	S536-S561 CarbonylContact C-O 3.2Å; S536-S561 WeakPolarHBondContact CA-O 3.5Å; S536-S561 WeakPolarHBondContact CB-O 3.03Å; S536-S561 WeakPolarHBondContact CB-OG 3.4Å; G537-S561 PolarHBondContact N-O 2.85Å; D559-S561 WeakPolarHBondContact OD1-CB 3.23Å; D559-S561 PolarHBondContact OD1-N 3.24Å; D559-S561 PolarHBondContact OD1-OG 3.23Å; S561-N563 VanDerWaalsContact C-N 3.29Å; S561-N563 PolarHBondContact O-N 3.23Å; S561-N563 PolarHBondContact O-ND2 2.88Å; S561-D583 PolarHBondContact N-O 3.13Å; S561-S585 CarbonylContact C-O 3.06Å; S561-S585 WeakPolarHBondContact CA-O 3.2Å; S561-S585 VanDerWaalsContact CB-O 3.25Å; S561-S585 WeakPolarHBondContact CB-O 3.22Å
562	S	95.1	Very high	94	Very high	39 Å²	39	30.5 Å²	30.5	27%	0.273	16%	0.157	S	C	.	.	S	Bend	trans	57.3	38.8	178.1	-43.4	0	0	0	0	113.6	G537 S585 K586	G537-S562 WeakPolarHBondContact CA-O 2.98Å; G537-S562 PolarHBondContact N-O 2.6Å; S562-S585 PolarHBondContact N-O 2.91Å; S562-K586 VanDerWaalsContact CA-O 3.31Å; S562-K586 WeakPolarHBondContact CA-O 3.33Å; S562-K586 WeakPolarHBondContact OG-CD 3.29Å
563	N	95.4	Very high	94.3	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.032	16%	0.157	C	C	.	.	S	Bend	trans	-111.1	-162.2	170.6	-78.2	-64.9	0	0	0	109.5	L535 N538 A539 M540 F560 S561 N587	L535-N563 PolarHBondContact O-ND2 3.35Å; N538-N563 WeakPolarHBondContact CA-OD1 3.4Å; N538-N563 WeakPolarHBondContact CB-OD1 2.7Å; N538-N563 PolarHBondContact N-OD1 3.27Å; A539-N563 PolarHBondContact N-OD1 3.39Å; A539-N563 VanDerWaalsContact N-OD1 3.09Å; M540-N563 HydrophobicContact CB-CB 4.14Å; M540-N563 PolarHBondContact N-OD1 2.94Å; M540-N563 VanDerWaalsContact N-OD1 3.13Å; F560-N563 HydrophobicContact CD1-CB 4.16Å; F560-N563 HydrophobicContact CE1-CB 3.95Å; F560-N563 PolarHBondContact O-ND2 3.16Å; F560-N563 VanDerWaalsContact O-ND2 3.11Å; S561-N563 VanDerWaalsContact C-N 3.29Å; S561-N563 PolarHBondContact O-N 3.23Å; S561-N563 PolarHBondContact O-ND2 2.88Å; N563-N587 WeakPolarHBondContact CA-OD1 3.33Å; N563-N587 WeakPolarHBondContact CB-OD1 3.07Å; N563-N587 PolarHBondContact N-OD1 3.07Å; N563-N587 PolarHBondContact O-OD1 3.29Å; N563-N587 VanDerWaalsContact O-OD1 3.1Å
564	R	93.7	Very high	94.8	Very high	111 Å²	111	33.1 Å²	33.1	42%	0.419	16%	0.163	S	C	.	.			trans	-122.5	54	172.8	-56.6	175.9	-178.4	178.3	2.4	108.7	M540 S541 D566 N587 H589 Y590	M540-R564 CarbonylContact O-C 3.42Å; M540-R564 WeakPolarHBondContact O-CA 3.34Å; M540-R564 VanDerWaalsContact O-CB 3.28Å; M540-R564 WeakPolarHBondContact O-CB 3.41Å; M540-R564 PolarHBondContact O-N 3.03Å; M540-R564 VanDerWaalsContact O-O 3.05Å; S541-R564 WeakPolarHBondContact CA-O 3.48Å; S541-R564 WeakPolarHBondContact OG-CD 3.42Å; R564-D566 PolarHBondContact O-N 3.16Å; R564-N587 PolarHBondContact N-OD1 3.31Å; R564-H589 HydrophobicContact CB-CB 3.99Å; R564-H589 HydrophobicContact CG-CB 3.85Å; R564-Y590 HydrophobicContact CB-CD2 4.39Å; R564-Y590 HydrophobicContact CB-CE2 4.11Å; R564-Y590 WeakPolarHBondContact O-CD2 3.14Å; R564-Y590 WeakPolarHBondContact O-CE2 3.35Å
565	L	93.4	Very high	94.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.151	C	C	.	.			trans	-58.7	123.4	-178.4	179.6	62.3	0	0	0	111.7	L544 F560 L567 F573 I584 N587	L544-L565 HydrophobicContact CD1-CD1 3.53Å; L544-L565 HydrophobicContact CG-CD1 3.84Å; F560-L565 HydrophobicContact CD1-CB 4.21Å; F560-L565 HydrophobicContact CD1-CD1 4.35Å; F560-L565 HydrophobicContact CD1-CD2 4.35Å; F560-L565 HydrophobicContact CE1-CB 3.93Å; F560-L565 HydrophobicContact CE1-CD1 3.8Å; F560-L565 HydrophobicContact CE1-CG 4.3Å; F560-L565 HydrophobicContact CZ-CD1 4.49Å; L565-L567 HydrophobicContact CD1-CD2 4.36Å; L565-L567 HydrophobicContact CD2-CD1 4.39Å; L565-L567 HydrophobicContact CD2-CD2 3.82Å; L565-L567 HydrophobicContact CD2-CG 3.94Å; L565-L567 HydrophobicContact CG-CD2 4.07Å; L565-L567 HydrophobicContact CG-CG 4.04Å; L565-F573 HydrophobicContact CD1-CZ 4.17Å; L565-F573 HydrophobicContact CD2-CE2 4.12Å; L565-F573 HydrophobicContact CD2-CZ 3.96Å; L565-I584 HydrophobicContact CD2-CB 4.06Å; L565-I584 HydrophobicContact CD2-CD1 4.43Å; L565-I584 HydrophobicContact CD2-CG2 3.75Å; L565-N587 HydrophobicContact CB-CB 3.92Å; L565-N587 WeakPolarHBondContact CB-OD1 3.38Å; L565-N587 PolarHBondContact N-OD1 2.96Å
566	D	93.4	Very high	94.8	Very high	20 Å²	20	31 Å²	31	11%	0.107	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-98	110.4	169.6	179.8	21.2	0	0	0	110.3	S543 R564 L568 Y590	S543-D566 WeakPolarHBondContact CA-O 3.47Å; S543-D566 WeakPolarHBondContact CB-OD2 3.28Å; S543-D566 PolarHBondContact OG-OD2 3.06Å; R564-D566 PolarHBondContact O-N 3.16Å; D566-L568 VanDerWaalsContact C-N 3.3Å; D566-L568 PolarHBondContact O-N 2.89Å; D566-Y590 HydrophobicContact CB-CD2 3.7Å; D566-Y590 HydrophobicContact CB-CE2 3.83Å; D566-Y590 HydrophobicContact CB-CG 4.08Å
567	L	93.9	Very high	94.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.			trans	-90	56.9	179.5	-75.1	-178	0	0	0	112.3	L565 A572 F573 I584 F591 H598 M599 L600 F602	L565-L567 HydrophobicContact CD1-CD2 4.36Å; L565-L567 HydrophobicContact CD2-CD1 4.39Å; L565-L567 HydrophobicContact CD2-CD2 3.82Å; L565-L567 HydrophobicContact CD2-CG 3.94Å; L565-L567 HydrophobicContact CG-CD2 4.07Å; L565-L567 HydrophobicContact CG-CG 4.04Å; L567-A572 HydrophobicContact CD2-CB 4Å; L567-F573 HydrophobicContact CD2-CE2 4.33Å; L567-I584 HydrophobicContact CD1-CD1 4.37Å; L567-F591 HydrophobicContact CD1-CZ 4.01Å; L567-H598 WeakPolarHBondContact O-CA 3.11Å; L567-M599 PolarHBondContact O-N 3.15Å; L567-L600 HydrophobicContact CD1-CD2 3.6Å; L567-F602 HydrophobicContact CD1-CD1 4.15Å; L567-F602 HydrophobicContact CD1-CE1 3.88Å; L567-F602 HydrophobicContact CD2-CD1 4.35Å
568	L	94.7	Very high	94.6	Very high	64 Å²	64	33.7 Å²	33.7	34%	0.335	17%	0.172	S	C	.	.			trans	-70.8	-38.2	176.4	-178.1	59.6	0	0	0	112.8	D566 T597 M599	D566-L568 VanDerWaalsContact C-N 3.3Å; D566-L568 PolarHBondContact O-N 2.89Å; L568-T597 HydrophobicContact CD1-CG2 3.98Å; L568-M599 WeakPolarHBondContact O-CG 3.28Å
569	Y	95.5	Very high	94.7	Very high	107 Å²	107	33.8 Å²	33.8	42%	0.42	17%	0.172	S	C	.	.			trans	-106.2	134.2	-173.6	-57.6	-71.2	0	0	0	112.5	N545 T571 A572	N545-Y569 HydrophobicContact CB-CD2 3.78Å; N545-Y569 HydrophobicContact CB-CE2 4.12Å; N545-Y569 HydrophobicContact CB-CG 4.27Å; Y569-T571 PolarHBondContact O-N 3.25Å; Y569-A572 WeakPolarHBondContact O-CB 3.48Å; Y569-A572 PolarHBondContact O-N 3.38Å
570	S	94.1	Very high	94.7	Very high	43 Å²	43	34.9 Å²	34.9	30%	0.301	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.6	171.6	64	0	0	0	0	113.3	A572 N601 F602 N605	S570-A572 VanDerWaalsContact C-N 3.32Å; S570-N601 VanDerWaalsContact CB-OD1 3.27Å; S570-N601 WeakPolarHBondContact CB-OD1 3.37Å; S570-F602 WeakPolarHBondContact O-CA 3.29Å; S570-F602 WeakPolarHBondContact O-CB 3.22Å; S570-N605 PolarHBondContact O-ND2 3.42Å
571	T	95.8	Very high	94.8	Very high	49 Å²	49	35.3 Å²	35.3	30%	0.301	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.2	176.3	53.1	0	0	0	0	113.7	N545 G546 Y569 F573 K574	N545-T571 VanDerWaalsContact O-CB 3.25Å; N545-T571 WeakPolarHBondContact O-CB 3.16Å; N545-T571 PolarHBondContact O-OG1 3.13Å; G546-T571 WeakPolarHBondContact CA-O 3.5Å; Y569-T571 PolarHBondContact O-N 3.25Å; T571-F573 PolarHBondContact O-N 2.88Å; T571-K574 HydrophobicContact CG2-CD 4.41Å; T571-K574 WeakPolarHBondContact O-CB 3.37Å; T571-K574 PolarHBondContact O-N 3.12Å
572	A	95.6	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	131.4	175.2	0	0	0	0	0	111.4	L544 L567 Y569 S570 K574 F602	L544-A572 HydrophobicContact CB-CB 4.18Å; L544-A572 WeakPolarHBondContact O-CB 3.14Å; L567-A572 HydrophobicContact CD2-CB 4Å; Y569-A572 WeakPolarHBondContact O-CB 3.48Å; Y569-A572 PolarHBondContact O-N 3.38Å; S570-A572 VanDerWaalsContact C-N 3.32Å; A572-K574 PolarHBondContact O-N 2.93Å; A572-F602 HydrophobicContact CB-CB 4.44Å
573	F	95.4	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	6.5	-179.4	-45.6	-75.7	0	0	0	116.4	L544 F549 L558 L565 L567 T571 E575 L576 L582 I584 F602 L606	L544-F573 HydrophobicContact CD1-CD1 4.04Å; L544-F573 HydrophobicContact CD1-CE1 3.26Å; L544-F573 HydrophobicContact CD1-CE2 4.19Å; L544-F573 HydrophobicContact CD1-CZ 3.36Å; F549-F573 HydrophobicContact CD2-CD1 4.4Å; F549-F573 HydrophobicContact CE2-CD1 4.05Å; F549-F573 HydrophobicContact CE2-CE1 4.08Å; L558-F573 HydrophobicContact CD2-CD1 3.95Å; L558-F573 HydrophobicContact CD2-CE1 3.89Å; L565-F573 HydrophobicContact CD1-CZ 4.17Å; L565-F573 HydrophobicContact CD2-CE2 4.12Å; L565-F573 HydrophobicContact CD2-CZ 3.96Å; L567-F573 HydrophobicContact CD2-CE2 4.33Å; T571-F573 PolarHBondContact O-N 2.88Å; F573-E575 WeakPolarHBondContact CA-OE2 3.45Å; F573-E575 PolarHBondContact O-N 3.26Å; F573-E575 VanDerWaalsContact O-N 3.14Å; F573-L576 HydrophobicContact CB-CD1 4.31Å; F573-L576 HydrophobicContact CD1-CD1 4.22Å; F573-L576 WeakPolarHBondContact O-CB 3.45Å; F573-L576 PolarHBondContact O-N 3.28Å; F573-L582 HydrophobicContact CD2-CD2 4.09Å; F573-L582 HydrophobicContact CE1-CD1 4.5Å; F573-L582 HydrophobicContact CE2-CD2 4.27Å; F573-L582 HydrophobicContact CG-CD2 4.44Å; F573-I584 HydrophobicContact CE2-CG2 4.35Å; F573-I584 HydrophobicContact CZ-CG2 4.11Å; F573-F602 HydrophobicContact CD2-CD2 4Å; F573-F602 HydrophobicContact CD2-CE2 4Å; F573-F602 HydrophobicContact CE2-CE2 4.4Å; F573-L606 HydrophobicContact CB-CD1 4.47Å; F573-L606 HydrophobicContact CB-CD2 4.11Å; F573-L606 VanDerWaalsContact O-CD2 3.23Å; F573-L606 WeakPolarHBondContact O-CD2 3.46Å
574	K	95	Very high	95.1	Very high	115 Å²	115	32.9 Å²	32.9	50%	0.5	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.6	-176.7	173.2	-179.8	174.4	-170.1	0	113.9	T571 A572 L576 N605	T571-K574 HydrophobicContact CG2-CD 4.41Å; T571-K574 WeakPolarHBondContact O-CB 3.37Å; T571-K574 PolarHBondContact O-N 3.12Å; A572-K574 PolarHBondContact O-N 2.93Å; K574-L576 PolarHBondContact O-N 3.39Å; K574-N605 HydrophobicContact CB-CB 4.03Å; K574-N605 HydrophobicContact CG-CB 4.05Å
575	E	93.2	Very high	95.2	Very high	29 Å²	29	28 Å²	28	14%	0.136	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.2	178.9	71.8	-81.1	-144.7	0	0	113.5	G546 E548 F549 F573 S577	G546-E575 VanDerWaalsContact C-CD 3.4Å; G546-E575 WeakPolarHBondContact CA-OE2 3.41Å; E548-E575 PolarHBondContact N-OE1 2.03Å; F549-E575 HydrophobicContact CB-CG 3.83Å; F549-E575 WeakPolarHBondContact CB-OE1 3.42Å; F549-E575 WeakPolarHBondContact CD2-OE1 2.89Å; F549-E575 PolarHBondContact N-OE1 2.89Å; F573-E575 WeakPolarHBondContact CA-OE2 3.45Å; F573-E575 PolarHBondContact O-N 3.26Å; F573-E575 VanDerWaalsContact O-N 3.14Å; E575-S577 PolarHBondContact O-N 2.85Å
576	L	94.6	Very high	95.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.16	C	C	.	.			trans	-81.9	63.9	-179	-60.7	177.3	0	0	0	111.8	F549 L552 L555 L558 F573 K574 N578 L579	F549-L576 HydrophobicContact CB-CD1 4.41Å; F549-L576 HydrophobicContact CB-CD2 3.6Å; F549-L576 HydrophobicContact CB-CG 4.07Å; F549-L576 HydrophobicContact CD2-CD1 4.13Å; F549-L576 HydrophobicContact CG-CD1 4.35Å; F549-L576 HydrophobicContact CG-CD2 4.31Å; L552-L576 HydrophobicContact CB-CD2 4.21Å; L555-L576 HydrophobicContact CB-CD2 4.13Å; L555-L576 HydrophobicContact CD2-CD1 4.32Å; L555-L576 HydrophobicContact CD2-CD2 4Å; L558-L576 HydrophobicContact CD2-CD1 3.71Å; F573-L576 HydrophobicContact CB-CD1 4.31Å; F573-L576 HydrophobicContact CD1-CD1 4.22Å; F573-L576 WeakPolarHBondContact O-CB 3.45Å; F573-L576 PolarHBondContact O-N 3.28Å; K574-L576 PolarHBondContact O-N 3.39Å; L576-N578 PolarHBondContact O-N 2.6Å; L576-N578 VanDerWaalsContact O-N 3.15Å; L576-L579 HydrophobicContact CB-CB 4.01Å; L576-L579 HydrophobicContact CB-CD2 4.28Å; L576-L579 HydrophobicContact CD1-CD1 4.38Å; L576-L579 HydrophobicContact CD1-CD2 4.07Å; L576-L579 VanDerWaalsContact O-CB 3.32Å; L576-L579 WeakPolarHBondContact O-CB 3.31Å; L576-L579 PolarHBondContact O-N 3.34Å; L576-L579 VanDerWaalsContact O-N 3.16Å
577	S	91.6	Very high	95.5	Very high	64 Å²	64	30 Å²	30	45%	0.448	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.8	-174.8	61.2	0	0	0	0	115.5	E575	E575-S577 PolarHBondContact O-N 2.85Å
578	N	95.1	Very high	95.5	Very high	38 Å²	38	32.4 Å²	32.4	20%	0.203	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	4.6	179.5	-73.7	-51.9	0	0	0	114.7	T553 L555 L576 V580 K608	T553-N578 PolarHBondContact O-ND2 3.09Å; L555-N578 CarbonylContact O-C 3.16Å; L576-N578 PolarHBondContact O-N 2.6Å; L576-N578 VanDerWaalsContact O-N 3.15Å; N578-V580 PolarHBondContact O-N 3.15Å; N578-K608 PolarHBondContact OD1-NZ 2.61Å
579	L	96.8	Very high	95.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.17	C	C	.	.			trans	-65.1	128.9	-175.2	-161.5	68.7	0	0	0	111.5	L555 L558 L576 L582 L606 K608 L609	L555-L579 HydrophobicContact CD2-CD1 4.42Å; L555-L579 HydrophobicContact CG-CD1 4.5Å; L555-L579 WeakPolarHBondContact O-CA 3.47Å; L555-L579 PolarHBondContact O-N 2.84Å; L558-L579 HydrophobicContact CB-CD1 3.8Å; L576-L579 HydrophobicContact CB-CB 4.01Å; L576-L579 HydrophobicContact CB-CD2 4.28Å; L576-L579 HydrophobicContact CD1-CD1 4.38Å; L576-L579 HydrophobicContact CD1-CD2 4.07Å; L576-L579 VanDerWaalsContact O-CB 3.32Å; L576-L579 WeakPolarHBondContact O-CB 3.31Å; L576-L579 PolarHBondContact O-N 3.34Å; L576-L579 VanDerWaalsContact O-N 3.16Å; L579-L582 HydrophobicContact CD2-CB 3.91Å; L579-L582 HydrophobicContact CD2-CD1 4.18Å; L579-L582 HydrophobicContact CD2-CD2 4.34Å; L579-L582 HydrophobicContact CD2-CG 4.36Å; L579-L606 HydrophobicContact CD2-CD2 4.38Å; L579-K608 CarbonylContact O-C 3.44Å; L579-L609 HydrophobicContact CD2-CD1 4.38Å; L579-L609 HydrophobicContact CG-CD1 4.42Å; L579-L609 VanDerWaalsContact O-CA 3.25Å; L579-L609 WeakPolarHBondContact O-CA 3.4Å; L579-L609 PolarHBondContact O-N 3.37Å
580	V	96.7	Very high	95.4	Very high	27 Å²	27	30.6 Å²	30.6	16%	0.164	16%	0.16	C	C	.	.			trans	-108.5	-40.8	180	-178.5	0	0	0	0	110.8	F506 Q556 N578 K610 I611	F506-V580 HydrophobicContact CE1-CB 4.18Å; F506-V580 HydrophobicContact CE1-CG1 4.29Å; F506-V580 HydrophobicContact CE1-CG2 4.37Å; F506-V580 HydrophobicContact CZ-CB 4.41Å; F506-V580 HydrophobicContact CZ-CG1 4.3Å; Q556-V580 HydrophobicContact CB-CG2 4.26Å; Q556-V580 HydrophobicContact CG-CG2 4.48Å; Q556-V580 WeakPolarHBondContact O-CA 3.43Å; Q556-V580 WeakPolarHBondContact O-CB 3.28Å; Q556-V580 PolarHBondContact O-N 2.88Å; N578-V580 PolarHBondContact O-N 3.15Å; V580-K610 HydrophobicContact CG1-CB 4.03Å; V580-K610 HydrophobicContact CG1-CD 4.05Å; V580-K610 HydrophobicContact CG1-CG 4.06Å; V580-K610 PolarHBondContact O-N 2.99Å; V580-I611 PolarHBondContact O-N 3.05Å
581	I	97.1	Very high	95.4	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.1	-179.9	-52.8	-171.5	0	0	0	109.7	F506 Q556 Y557 L558 I611	F506-I581 HydrophobicContact CE2-CD1 3.8Å; F506-I581 HydrophobicContact CE2-CG1 4.35Å; F506-I581 HydrophobicContact CZ-CD1 3.83Å; F506-I581 HydrophobicContact CZ-CG1 4.08Å; Q556-I581 PolarHBondContact O-N 3.38Å; Y557-I581 WeakPolarHBondContact CA-O 3.39Å; Y557-I581 HydrophobicContact CD2-CB 3.72Å; Y557-I581 HydrophobicContact CD2-CD1 3.83Å; Y557-I581 HydrophobicContact CD2-CG1 4.21Å; Y557-I581 HydrophobicContact CD2-CG2 3.9Å; Y557-I581 HydrophobicContact CE1-CG2 4.46Å; Y557-I581 HydrophobicContact CE2-CB 3.98Å; Y557-I581 HydrophobicContact CE2-CD1 3.92Å; Y557-I581 HydrophobicContact CE2-CG2 3.6Å; Y557-I581 HydrophobicContact CG-CB 4.15Å; Y557-I581 HydrophobicContact CG-CG2 4.45Å; L558-I581 PolarHBondContact N-O 3.41Å; I581-I611 WeakPolarHBondContact CA-O 3.18Å; I581-I611 HydrophobicContact CD1-CD1 3.97Å; I581-I611 HydrophobicContact CG1-CB 4.11Å; I581-I611 HydrophobicContact CG1-CD1 4.27Å; I581-I611 HydrophobicContact CG1-CG1 4.38Å; I581-I611 HydrophobicContact CG2-CB 4.22Å; I581-I611 HydrophobicContact CG2-CG2 4.37Å
582	L	97.8	Very high	95.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.6	173.4	179	58.3	0	0	0	109.9	L558 F573 L579 I584 F602 L606 L609 I611 L612 L613	L558-L582 HydrophobicContact CB-CD1 4.06Å; L558-L582 HydrophobicContact CD2-CD1 3.91Å; L558-L582 HydrophobicContact CG-CD1 4.07Å; F573-L582 HydrophobicContact CD2-CD2 4.09Å; F573-L582 HydrophobicContact CE1-CD1 4.5Å; F573-L582 HydrophobicContact CE2-CD2 4.27Å; F573-L582 HydrophobicContact CG-CD2 4.44Å; L579-L582 HydrophobicContact CD2-CB 3.91Å; L579-L582 HydrophobicContact CD2-CD1 4.18Å; L579-L582 HydrophobicContact CD2-CD2 4.34Å; L579-L582 HydrophobicContact CD2-CG 4.36Å; L582-I584 HydrophobicContact CD1-CG2 3.89Å; L582-I584 HydrophobicContact CD2-CG2 4.29Å; L582-I584 HydrophobicContact CG-CG2 3.97Å; L582-F602 HydrophobicContact CD2-CE2 3.82Å; L582-F602 HydrophobicContact CD2-CZ 4.35Å; L582-L606 HydrophobicContact CD2-CD1 4.06Å; L582-L609 HydrophobicContact CB-CD1 3.72Å; L582-I611 PolarHBondContact N-O 2.85Å; L582-L612 HydrophobicContact CB-CD1 4.01Å; L582-L612 HydrophobicContact CD2-CD1 3.98Å; L582-L612 HydrophobicContact CG-CD1 4Å; L582-L612 WeakPolarHBondContact O-CA 3.45Å; L582-L613 PolarHBondContact O-N 2Å
583	D	97.3	Very high	95.1	Very high	8 Å²	8	34 Å²	34	4%	0.043	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.8	172	-166.4	-11.8	0	0	0	110.3	K500 L558 F560 S561 S585 L613	K500-D583 IonicContact NZ-OD2 3.75Å; K500-D583 PolarHBondContact NZ-OD2 2.87Å; L558-D583 PolarHBondContact O-N 3Å; F560-D583 CarbonylContact C-O 3.56Å; F560-D583 VanDerWaalsContact CA-O 3.28Å; F560-D583 WeakPolarHBondContact CA-O 3.31Å; F560-D583 WeakPolarHBondContact CB-O 3.49Å; F560-D583 PolarHBondContact N-O 3.24Å; S561-D583 PolarHBondContact N-O 3.13Å; D583-S585 WeakPolarHBondContact OD1-CB 3.42Å; D583-S585 PolarHBondContact OD1-N 3.3Å; D583-S585 PolarHBondContact OD1-OG 3.2Å; D583-L613 HydrophobicContact CB-CB 4.22Å; D583-L613 HydrophobicContact CB-CD1 4.03Å
584	I	96.8	Very high	94.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.215	C	C	.	.			trans	-117.1	27.5	174	55.5	169.8	0	0	0	110.7	F560 L565 L567 F573 L582 N587 F602 L612 L613 M614 N617	F560-I584 HydrophobicContact CB-CG2 4.15Å; L565-I584 HydrophobicContact CD2-CB 4.06Å; L565-I584 HydrophobicContact CD2-CD1 4.43Å; L565-I584 HydrophobicContact CD2-CG2 3.75Å; L567-I584 HydrophobicContact CD1-CD1 4.37Å; F573-I584 HydrophobicContact CE2-CG2 4.35Å; F573-I584 HydrophobicContact CZ-CG2 4.11Å; L582-I584 HydrophobicContact CD1-CG2 3.89Å; L582-I584 HydrophobicContact CD2-CG2 4.29Å; L582-I584 HydrophobicContact CG-CG2 3.97Å; I584-N587 VanDerWaalsContact C-ND2 3.27Å; I584-N587 PolarHBondContact O-ND2 2.81Å; I584-F602 HydrophobicContact CD1-CE1 4.3Å; I584-F602 HydrophobicContact CD1-CZ 3.86Å; I584-L612 HydrophobicContact CD1-CD1 4.35Å; I584-L612 HydrophobicContact CG1-CD1 4.24Å; I584-L613 CarbonylContact C-O 3.59Å; I584-L613 WeakPolarHBondContact CG1-O 3.16Å; I584-L613 PolarHBondContact N-O 3.08Å; I584-M614 HydrophobicContact CD1-CE 3.43Å; I584-M614 VanDerWaalsContact CD1-CE 3.43Å; I584-M614 HydrophobicContact CD1-CG 3.79Å; I584-M614 HydrophobicContact CD1-SD 3.99Å; I584-M614 HydrophobicContact CG1-CB 4.45Å; I584-M614 HydrophobicContact CG1-CE 4.31Å; I584-M614 HydrophobicContact CG1-CG 3.76Å; I584-N617 PolarHBondContact O-ND2 3Å; I584-N617 PolarHBondContact O-OD1 3.14Å; I584-N617 VanDerWaalsContact O-OD1 3.09Å
585	S	96.6	Very high	94.5	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.063	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	155.9	179	-55	0	0	0	0	112.5	S561 S562 D583 N587 L613 N615 N617	S561-S585 CarbonylContact C-O 3.06Å; S561-S585 WeakPolarHBondContact CA-O 3.2Å; S561-S585 VanDerWaalsContact CB-O 3.25Å; S561-S585 WeakPolarHBondContact CB-O 3.22Å; S562-S585 PolarHBondContact N-O 2.91Å; D583-S585 WeakPolarHBondContact OD1-CB 3.42Å; D583-S585 PolarHBondContact OD1-N 3.3Å; D583-S585 PolarHBondContact OD1-OG 3.2Å; S585-N587 VanDerWaalsContact C-N 3.31Å; S585-N587 PolarHBondContact O-N 2.86Å; S585-N587 PolarHBondContact O-ND2 3.22Å; S585-L613 PolarHBondContact N-O 3.14Å; S585-N615 CarbonylContact C-O 3.46Å; S585-N615 WeakPolarHBondContact CA-O 3.26Å; S585-N615 VanDerWaalsContact CB-O 3.24Å; S585-N615 WeakPolarHBondContact CB-O 3.11Å; S585-N615 WeakPolarHBondContact OG-CB 3.26Å; S585-N615 PolarHBondContact OG-N 2.88Å; S585-N615 VanDerWaalsContact OG-N 3.14Å; S585-N617 VanDerWaalsContact C-OD1 3.3Å
586	K	95.8	Very high	94.4	Very high	60 Å²	60	43.3 Å²	43.3	26%	0.261	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	37.8	177.9	-58.6	178.3	174.2	-175.7	0	114.2	N467 S562 N615 H616 N617	N467-K586 PolarHBondContact ND2-NZ 3.42Å; N467-K586 PolarHBondContact OD1-NZ 2.93Å; S562-K586 VanDerWaalsContact CA-O 3.31Å; S562-K586 WeakPolarHBondContact CA-O 3.33Å; S562-K586 WeakPolarHBondContact OG-CD 3.29Å; K586-N615 PolarHBondContact N-O 3.06Å; K586-H616 HydrophobicContact CG-CB 4.09Å; K586-N617 PolarHBondContact N-OD1 2.77Å
587	N	95.7	Very high	94.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	26%	0.259	C	S	.	.			trans	-104.5	42.9	172.3	-77.9	-79.2	0	0	0	111.3	F560 N563 R564 L565 I584 S585 H589 F591 N617	F560-N587 PolarHBondContact O-ND2 3.48Å; N563-N587 WeakPolarHBondContact CA-OD1 3.33Å; N563-N587 WeakPolarHBondContact CB-OD1 3.07Å; N563-N587 PolarHBondContact N-OD1 3.07Å; N563-N587 PolarHBondContact O-OD1 3.29Å; N563-N587 VanDerWaalsContact O-OD1 3.1Å; R564-N587 PolarHBondContact N-OD1 3.31Å; L565-N587 HydrophobicContact CB-CB 3.92Å; L565-N587 WeakPolarHBondContact CB-OD1 3.38Å; L565-N587 PolarHBondContact N-OD1 2.96Å; I584-N587 VanDerWaalsContact C-ND2 3.27Å; I584-N587 PolarHBondContact O-ND2 2.81Å; S585-N587 VanDerWaalsContact C-N 3.31Å; S585-N587 PolarHBondContact O-N 2.86Å; S585-N587 PolarHBondContact O-ND2 3.22Å; N587-H589 VanDerWaalsContact C-N 3.33Å; N587-H589 PolarHBondContact O-N 2.75Å; N587-F591 WeakPolarHBondContact O-CD2 3.36Å; N587-N617 PolarHBondContact N-OD1 2.88Å
588	N	94.3	Very high	94.4	Very high	53 Å²	53	43 Å²	43	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-71.6	-18.7	-170.1	62.1	-47.5	0	0	0	115.4	Y590 F591 E592 N617 K618	N588-Y590 PolarHBondContact O-N 3.27Å; N588-F591 PolarHBondContact O-N 3.49Å; N588-F591 VanDerWaalsContact O-N 3.08Å; N588-E592 HydrophobicContact CB-CG 4.39Å; N588-E592 VanDerWaalsContact ND2-CD 3.31Å; N588-E592 PolarHBondContact ND2-OE1 2.8Å; N588-E592 PolarHBondContact ND2-OE2 2.86Å; N588-E592 WeakPolarHBondContact O-CG 3.29Å; N588-E592 PolarHBondContact O-N 3.38Å; N588-N617 WeakPolarHBondContact CA-O 3.32Å; N588-K618 HydrophobicContact CB-CB 4.06Å; N588-K618 HydrophobicContact CB-CG 3.8Å
589	H	94.5	Very high	94.4	Very high	79 Å²	79	43.1 Å²	43.1	37%	0.366	24%	0.238	S	C	.	.	H	α-helix	trans	-49.4	-51.6	-170.4	-177.7	66.2	0	0	0	114.3	R564 N587	R564-H589 HydrophobicContact CB-CB 3.99Å; R564-H589 HydrophobicContact CG-CB 3.85Å; N587-H589 VanDerWaalsContact C-N 3.33Å; N587-H589 PolarHBondContact O-N 2.75Å
590	Y	94.1	Very high	94.1	Very high	54 Å²	54	43.1 Å²	43.1	21%	0.212	24%	0.238	C	C	.	.	H	α-helix	trans	-80.2	-30	179.7	-72.8	-71.3	0	0	0	113	S541 R564 D566 N588 E592 S593 L596 H598	S541-Y590 PolarHBondContact O-OH 3.16Å; R564-Y590 HydrophobicContact CB-CD2 4.39Å; R564-Y590 HydrophobicContact CB-CE2 4.11Å; R564-Y590 WeakPolarHBondContact O-CD2 3.14Å; R564-Y590 WeakPolarHBondContact O-CE2 3.35Å; D566-Y590 HydrophobicContact CB-CD2 3.7Å; D566-Y590 HydrophobicContact CB-CE2 3.83Å; D566-Y590 HydrophobicContact CB-CG 4.08Å; N588-Y590 PolarHBondContact O-N 3.27Å; Y590-E592 VanDerWaalsContact C-N 3.29Å; Y590-E592 PolarHBondContact O-N 2.97Å; Y590-S593 PolarHBondContact O-N 3.09Å; Y590-L596 HydrophobicContact CD1-CD1 3.72Å; Y590-H598 PolarHBondContact O-CE1 3.43Å; Y590-H598 PolarHBondContact O-NE2 2.94Å
591	F	93.9	Very high	94	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-70.8	-21.8	178.3	-66	-65.6	0	0	0	114.2	L567 N587 N588 S593 H598 L600 N617 I619	L567-F591 HydrophobicContact CD1-CZ 4.01Å; N587-F591 WeakPolarHBondContact O-CD2 3.36Å; N588-F591 PolarHBondContact O-N 3.49Å; N588-F591 VanDerWaalsContact O-N 3.08Å; F591-S593 VanDerWaalsContact C-N 3.34Å; F591-H598 HydrophobicContact CD1-CB 4.42Å; F591-H598 AromaticContact CD1-CD2 3.74Å; F591-H598 AromaticContact CD1-CG 3.8Å; F591-H598 AromaticContact CD1-ND1 3.99Å; F591-H598 AromaticContact CD1-NE2 3.88Å; F591-H598 HydrophobicContact CE1-CB 4.07Å; F591-H598 AromaticContact CE1-CG 3.86Å; F591-L600 HydrophobicContact CE1-CD2 4.38Å; F591-L600 HydrophobicContact CZ-CD2 4.4Å; F591-N617 WeakPolarHBondContact CB-O 3.08Å; F591-N617 HydrophobicContact CD2-CB 3.86Å; F591-N617 WeakPolarHBondContact CD2-O 3.31Å; F591-N617 HydrophobicContact CE2-CB 3.98Å; F591-I619 HydrophobicContact CB-CG1 4.49Å; F591-I619 HydrophobicContact CD1-CG1 3.76Å; F591-I619 HydrophobicContact CD2-CG1 4.03Å; F591-I619 HydrophobicContact CE1-CD1 4.39Å; F591-I619 HydrophobicContact CE1-CG1 3.88Å; F591-I619 HydrophobicContact CE2-CG1 4.17Å; F591-I619 HydrophobicContact CG-CG1 3.84Å; F591-I619 HydrophobicContact CZ-CD1 4.28Å; F591-I619 HydrophobicContact CZ-CG1 4.09Å
592	E	92.1	Very high	93.9	Very high	107 Å²	107	43.2 Å²	43.2	50%	0.5	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.8	175.2	-74.1	177.9	164	0	0	112.7	N588 Y590 K618	N588-E592 HydrophobicContact CB-CG 4.39Å; N588-E592 VanDerWaalsContact ND2-CD 3.31Å; N588-E592 PolarHBondContact ND2-OE1 2.8Å; N588-E592 PolarHBondContact ND2-OE2 2.86Å; N588-E592 WeakPolarHBondContact O-CG 3.29Å; N588-E592 PolarHBondContact O-N 3.38Å; Y590-E592 VanDerWaalsContact C-N 3.29Å; Y590-E592 PolarHBondContact O-N 2.97Å; E592-K618 HydrophobicContact CG-CB 3.97Å; E592-K618 HydrophobicContact CG-CG 4.33Å; E592-K618 WeakPolarHBondContact OE1-CG 3.44Å
593	S	92.1	Very high	93.8	Very high	54 Å²	54	43.3 Å²	43.3	38%	0.378	24%	0.238	S	C	.	.	S	Bend	trans	-83.2	123.6	179.5	-61.6	0	0	0	0	110.5	Y590 F591	Y590-S593 PolarHBondContact O-N 3.09Å; F591-S593 VanDerWaalsContact C-N 3.34Å
594	E	89	Confident	93.7	Very high	186 Å²	186	48 Å²	48	87%	0.869	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	150.2	177.7	-62	-172.6	172.2	0	0	111.9	L596	E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 3.14Å
595	G	88.5	Confident	93.6	Very high	81 Å²	81	50.1 Å²	50.1	84%	0.835	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-3.4	175.3	0	0	0	0	0	115.7
596	L	92.4	Very high	93.6	Very high	71 Å²	71	49.8 Å²	49.8	37%	0.372	27%	0.267	S	S	.	.			trans	-80.8	149.9	175	-61.5	-173.8	0	0	0	112.4	Y590 E594	Y590-L596 HydrophobicContact CD1-CD1 3.72Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-L596 PolarHBondContact O-N 3.14Å
597	T	92.4	Very high	93.5	Very high	59 Å²	59	53 Å²	53	36%	0.362	28%	0.281	S	S	.	.			trans	-84.9	130.8	175.8	-70.8	0	0	0	0	110	L568 M599 T623	L568-T597 HydrophobicContact CD1-CG2 3.98Å; T597-M599 HydrophobicContact CG2-CG 4.04Å; T597-M599 HydrophobicContact CG2-SD 4.18Å; T597-T623 WeakPolarHBondContact CA-OG1 3.47Å; T597-T623 HydrophobicContact CG2-CG2 4.24Å; T597-T623 WeakPolarHBondContact CG2-OG1 3.31Å
598	H	93.9	Very high	93.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.304	C	S	.	.			trans	-129.8	114.1	177.4	-56.1	-45.2	0	0	0	109.7	L567 Y590 F591 T623 N624	L567-H598 WeakPolarHBondContact O-CA 3.11Å; Y590-H598 PolarHBondContact O-CE1 3.43Å; Y590-H598 PolarHBondContact O-NE2 2.94Å; F591-H598 HydrophobicContact CD1-CB 4.42Å; F591-H598 AromaticContact CD1-CD2 3.74Å; F591-H598 AromaticContact CD1-CG 3.8Å; F591-H598 AromaticContact CD1-ND1 3.99Å; F591-H598 AromaticContact CD1-NE2 3.88Å; F591-H598 HydrophobicContact CE1-CB 4.07Å; F591-H598 AromaticContact CE1-CG 3.86Å; H598-T623 PolarHBondContact N-OG1 2.75Å; H598-T623 PolarHBondContact O-N 3.29Å; H598-N624 PolarHBondContact O-OD1 2.95Å
599	M	94.2	Very high	93.7	Very high	40 Å²	40	55.8 Å²	55.8	20%	0.197	29%	0.29	C	S	.	.			trans	-101.9	80.6	-176.7	-63.7	-60.9	-72.4	0	0	110.7	L567 L568 T597 N601 T623	L567-M599 PolarHBondContact O-N 3.15Å; L568-M599 WeakPolarHBondContact O-CG 3.28Å; T597-M599 HydrophobicContact CG2-CG 4.04Å; T597-M599 HydrophobicContact CG2-SD 4.18Å; M599-N601 PolarHBondContact O-N 3.29Å; M599-T623 HydrophobicContact SD-CG2 4.19Å
600	L	91.5	Very high	93.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-77	-1.5	-179.4	-68.2	179.3	0	0	0	114	L567 F591 F602 M614 I619 N624 M627 Y656	L567-L600 HydrophobicContact CD1-CD2 3.6Å; F591-L600 HydrophobicContact CE1-CD2 4.38Å; F591-L600 HydrophobicContact CZ-CD2 4.4Å; L600-F602 HydrophobicContact CD2-CE1 4.45Å; L600-F602 PolarHBondContact O-N 2.8Å; L600-M614 HydrophobicContact CD2-CE 3.45Å; L600-M614 VanDerWaalsContact CD2-CE 3.45Å; L600-I619 HydrophobicContact CD1-CD1 4.28Å; L600-I619 HydrophobicContact CD1-CG2 3.79Å; L600-N624 PolarHBondContact N-OD1 2.81Å; L600-M627 HydrophobicContact CB-CG 4.41Å; L600-Y656 WeakPolarHBondContact CB-OH 3.31Å; L600-Y656 WeakPolarHBondContact CD1-OH 3.41Å
601	N	93.4	Very high	94	Very high	41 Å²	41	56.3 Å²	56.3	22%	0.219	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-81.5	7	173.4	67.4	-13	0	0	0	113.9	S570 M599 T603 K604 N624	S570-N601 VanDerWaalsContact CB-OD1 3.27Å; S570-N601 WeakPolarHBondContact CB-OD1 3.37Å; M599-N601 PolarHBondContact O-N 3.29Å; N601-T603 PolarHBondContact O-N 3.35Å; N601-T603 VanDerWaalsContact O-N 3.12Å; N601-K604 WeakPolarHBondContact O-CB 3.09Å; N601-K604 PolarHBondContact O-N 3.38Å; N601-N624 HydrophobicContact CB-CB 4.29Å; N601-N624 PolarHBondContact N-ND2 3.11Å
602	F	95.1	Very high	94.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-57.1	-25.7	176.8	75.1	-86.3	0	0	0	113.6	L567 S570 A572 F573 L582 I584 L600 K604 N605 L606 L612	L567-F602 HydrophobicContact CD1-CD1 4.15Å; L567-F602 HydrophobicContact CD1-CE1 3.88Å; L567-F602 HydrophobicContact CD2-CD1 4.35Å; S570-F602 WeakPolarHBondContact O-CA 3.29Å; S570-F602 WeakPolarHBondContact O-CB 3.22Å; A572-F602 HydrophobicContact CB-CB 4.44Å; F573-F602 HydrophobicContact CD2-CD2 4Å; F573-F602 HydrophobicContact CD2-CE2 4Å; F573-F602 HydrophobicContact CE2-CE2 4.4Å; L582-F602 HydrophobicContact CD2-CE2 3.82Å; L582-F602 HydrophobicContact CD2-CZ 4.35Å; I584-F602 HydrophobicContact CD1-CE1 4.3Å; I584-F602 HydrophobicContact CD1-CZ 3.86Å; L600-F602 HydrophobicContact CD2-CE1 4.45Å; L600-F602 PolarHBondContact O-N 2.8Å; F602-K604 PolarHBondContact O-N 3.37Å; F602-N605 PolarHBondContact O-N 2.75Å; F602-N605 VanDerWaalsContact O-N 3.09Å; F602-L606 HydrophobicContact CD2-CD1 4.12Å; F602-L606 HydrophobicContact CE2-CD1 3.97Å; F602-L612 HydrophobicContact CZ-CD1 4.46Å; F602-L612 HydrophobicContact CZ-CD2 4.43Å
603	T	95.7	Very high	94.5	Very high	1 Å²	1	52 Å²	52	1%	0.006	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-55.8	-23.4	177.6	54.5	0	0	0	0	113.8	N601 N605 L606 L612 M627 E628	N601-T603 PolarHBondContact O-N 3.35Å; N601-T603 VanDerWaalsContact O-N 3.12Å; T603-N605 PolarHBondContact O-N 3.4Å; T603-L606 PolarHBondContact O-N 3.26Å; T603-L612 HydrophobicContact CG2-CD2 3.61Å; T603-M627 HydrophobicContact CG2-CE 4Å; T603-E628 CarbonylContact C-O 3.05Å; T603-E628 VanDerWaalsContact C-O 3.26Å; T603-E628 WeakPolarHBondContact CB-O 3.39Å; T603-E628 PolarHBondContact OG1-O 3.08Å
604	K	95.4	Very high	94.7	Very high	106 Å²	106	49.4 Å²	49.4	46%	0.461	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-57.9	-31.7	177	-175.4	178.3	-172.1	144.2	0	112.9	N601 F602 K607 E628	N601-K604 WeakPolarHBondContact O-CB 3.09Å; N601-K604 PolarHBondContact O-N 3.38Å; F602-K604 PolarHBondContact O-N 3.37Å; K604-K607 PolarHBondContact O-NZ 3.25Å; K604-E628 WeakPolarHBondContact CA-O 3.22Å; K604-E628 HydrophobicContact CB-CB 4.28Å; K604-E628 WeakPolarHBondContact CD-OE2 3.43Å; K604-E628 WeakPolarHBondContact CE-OE2 3.32Å; K604-E628 PolarHBondContact N-O 3.24Å; K604-E628 VanDerWaalsContact N-O 3.07Å; K604-E628 IonicContact NZ-OE2 3.38Å; K604-E628 PolarHBondContact NZ-OE2 2.93Å
605	N	94.9	Very high	95.1	Very high	47 Å²	47	40.6 Å²	40.6	25%	0.251	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-82.3	-19.6	-176	-66.8	-50.7	0	0	0	112.9	S570 K574 F602 T603 K607	S570-N605 PolarHBondContact O-ND2 3.42Å; K574-N605 HydrophobicContact CB-CB 4.03Å; K574-N605 HydrophobicContact CG-CB 4.05Å; F602-N605 PolarHBondContact O-N 2.75Å; F602-N605 VanDerWaalsContact O-N 3.09Å; T603-N605 PolarHBondContact O-N 3.4Å; N605-K607 PolarHBondContact O-N 2.77Å
606	L	96	Very high	95.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	19%	0.194	C	C	.	.			trans	-92.4	82.3	-173.3	-63.1	173.8	0	0	0	112.1	F573 L579 L582 F602 T603 K608 L609 S631	F573-L606 HydrophobicContact CB-CD1 4.47Å; F573-L606 HydrophobicContact CB-CD2 4.11Å; F573-L606 VanDerWaalsContact O-CD2 3.23Å; F573-L606 WeakPolarHBondContact O-CD2 3.46Å; L579-L606 HydrophobicContact CD2-CD2 4.38Å; L582-L606 HydrophobicContact CD2-CD1 4.06Å; F602-L606 HydrophobicContact CD2-CD1 4.12Å; F602-L606 HydrophobicContact CE2-CD1 3.97Å; T603-L606 PolarHBondContact O-N 3.26Å; L606-K608 VanDerWaalsContact C-N 3.32Å; L606-K608 PolarHBondContact O-N 3.14Å; L606-L609 HydrophobicContact CB-CB 3.79Å; L606-L609 HydrophobicContact CB-CD2 4.22Å; L606-L609 HydrophobicContact CD1-CD2 3.81Å; L606-L609 PolarHBondContact O-N 2.95Å; L606-S631 PolarHBondContact O-OG 3.48Å
607	K	94.3	Very high	95.7	Very high	127 Å²	127	37.3 Å²	37.3	55%	0.552	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.6	-168.8	-58.6	-51.6	-172.7	-172.1	0	116.3	K604 N605 S631	K604-K607 PolarHBondContact O-NZ 3.25Å; N605-K607 PolarHBondContact O-N 2.77Å; K607-S631 WeakPolarHBondContact O-CB 3.5Å; K607-S631 PolarHBondContact O-OG 3.36Å
608	K	96.8	Very high	95.8	Very high	113 Å²	113	38.9 Å²	38.9	49%	0.491	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	2.1	178.6	-65.6	-169.1	-174.4	171.4	0	114.4	N578 L579 L606 K610	N578-K608 PolarHBondContact OD1-NZ 2.61Å; L579-K608 CarbonylContact O-C 3.44Å; L606-K608 VanDerWaalsContact C-N 3.32Å; L606-K608 PolarHBondContact O-N 3.14Å; K608-K610 PolarHBondContact O-N 2.7Å
609	L	97.7	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.178	C	C	.	.			trans	-65.3	123.7	-176.7	-174.3	74.1	0	0	0	110.8	L579 L582 L606 L612 S631 L632	L579-L609 HydrophobicContact CD2-CD1 4.38Å; L579-L609 HydrophobicContact CG-CD1 4.42Å; L579-L609 VanDerWaalsContact O-CA 3.25Å; L579-L609 WeakPolarHBondContact O-CA 3.4Å; L579-L609 PolarHBondContact O-N 3.37Å; L582-L609 HydrophobicContact CB-CD1 3.72Å; L606-L609 HydrophobicContact CB-CB 3.79Å; L606-L609 HydrophobicContact CB-CD2 4.22Å; L606-L609 HydrophobicContact CD1-CD2 3.81Å; L606-L609 PolarHBondContact O-N 2.95Å; L609-L612 HydrophobicContact CD2-CB 4.21Å; L609-S631 CarbonylContact O-C 3.56Å; L609-S631 VanDerWaalsContact O-CB 3.3Å; L609-S631 WeakPolarHBondContact O-CB 3.29Å; L609-S631 VanDerWaalsContact O-O 3.13Å; L609-S631 PolarHBondContact O-OG 3.24Å; L609-S631 VanDerWaalsContact O-OG 3.07Å; L609-L632 HydrophobicContact CD2-CD1 3.91Å; L609-L632 HydrophobicContact CG-CD1 3.94Å; L609-L632 VanDerWaalsContact O-CA 3.29Å; L609-L632 WeakPolarHBondContact O-CA 3.24Å; L609-L632 PolarHBondContact O-N 3.23Å; L609-L632 VanDerWaalsContact O-N 3.16Å
610	K	97.5	Very high	95.9	Very high	96 Å²	96	38.1 Å²	38.1	42%	0.417	18%	0.177	S	C	.	.			trans	-108.6	-36.8	178.6	-66.6	-169.9	172	-148.8	0	112.8	V580 K608 E633 K634	V580-K610 HydrophobicContact CG1-CB 4.03Å; V580-K610 HydrophobicContact CG1-CD 4.05Å; V580-K610 HydrophobicContact CG1-CG 4.06Å; V580-K610 PolarHBondContact O-N 2.99Å; K608-K610 PolarHBondContact O-N 2.7Å; K610-E633 WeakPolarHBondContact CD-OE1 3.45Å; K610-E633 WeakPolarHBondContact CE-OE1 3.09Å; K610-E633 IonicContact NZ-OE1 2.72Å; K610-E633 PolarHBondContact NZ-OE1 2.82Å; K610-E633 VanDerWaalsContact NZ-OE1 3.1Å; K610-E633 PolarHBondContact O-N 2.97Å; K610-K634 PolarHBondContact O-N 3.35Å
611	I	97.9	Very high	95.9	Very high	47 Å²	47	41.1 Å²	41.1	24%	0.241	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.9	-175.9	-52.6	-177.2	0	0	0	109.4	V580 I581 L582 L613 K634	V580-I611 PolarHBondContact O-N 3.05Å; I581-I611 WeakPolarHBondContact CA-O 3.18Å; I581-I611 HydrophobicContact CD1-CD1 3.97Å; I581-I611 HydrophobicContact CG1-CB 4.11Å; I581-I611 HydrophobicContact CG1-CD1 4.27Å; I581-I611 HydrophobicContact CG1-CG1 4.38Å; I581-I611 HydrophobicContact CG2-CB 4.22Å; I581-I611 HydrophobicContact CG2-CG2 4.37Å; L582-I611 PolarHBondContact N-O 2.85Å; I611-L613 HydrophobicContact CG2-CD2 3.91Å; I611-L613 HydrophobicContact CG2-CG 4.29Å; I611-K634 WeakPolarHBondContact CA-O 3.25Å; I611-K634 HydrophobicContact CG1-CB 4.19Å; I611-K634 HydrophobicContact CG2-CB 4.34Å; I611-K634 HydrophobicContact CG2-CD 4.1Å; I611-K634 HydrophobicContact CG2-CG 4.21Å
612	L	98.3	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124	175.5	178.7	58	0	0	0	109.6	L582 I584 F602 T603 L609 M614 M627 L632 K634 L635 E636	L582-L612 HydrophobicContact CB-CD1 4.01Å; L582-L612 HydrophobicContact CD2-CD1 3.98Å; L582-L612 HydrophobicContact CG-CD1 4Å; L582-L612 WeakPolarHBondContact O-CA 3.45Å; I584-L612 HydrophobicContact CD1-CD1 4.35Å; I584-L612 HydrophobicContact CG1-CD1 4.24Å; F602-L612 HydrophobicContact CZ-CD1 4.46Å; F602-L612 HydrophobicContact CZ-CD2 4.43Å; T603-L612 HydrophobicContact CG2-CD2 3.61Å; L609-L612 HydrophobicContact CD2-CB 4.21Å; L612-M614 HydrophobicContact CD1-CG 3.98Å; L612-M614 HydrophobicContact CD1-SD 4.47Å; L612-M614 HydrophobicContact CD2-CG 4.12Å; L612-M614 HydrophobicContact CD2-SD 3.77Å; L612-M614 HydrophobicContact CG-CG 3.76Å; L612-M614 HydrophobicContact CG-SD 4.11Å; L612-M627 HydrophobicContact CD2-CE 4.3Å; L612-L632 HydrophobicContact CB-CD1 3.58Å; L612-L632 HydrophobicContact CB-CD2 4.22Å; L612-L632 HydrophobicContact CD2-CD2 4.41Å; L612-K634 PolarHBondContact N-O 3.1Å; L612-L635 HydrophobicContact CB-CD1 4.05Å; L612-L635 HydrophobicContact CD2-CD1 3.97Å; L612-L635 HydrophobicContact CG-CD1 3.93Å; L612-L635 WeakPolarHBondContact O-CA 3.03Å; L612-E636 PolarHBondContact O-N 3.3Å
613	L	97.9	Very high	95.7	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.099	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.9	177.3	-47.8	176.4	0	0	0	108.8	L582 D583 I584 S585 I611 E636	L582-L613 PolarHBondContact O-N 2Å; D583-L613 HydrophobicContact CB-CB 4.22Å; D583-L613 HydrophobicContact CB-CD1 4.03Å; I584-L613 CarbonylContact C-O 3.59Å; I584-L613 WeakPolarHBondContact CG1-O 3.16Å; I584-L613 PolarHBondContact N-O 3.08Å; S585-L613 PolarHBondContact N-O 3.14Å; I611-L613 HydrophobicContact CG2-CD2 3.91Å; I611-L613 HydrophobicContact CG2-CG 4.29Å; L613-E636 HydrophobicContact CD2-CB 3.76Å; L613-E636 VanDerWaalsContact CD2-CD 3.41Å; L613-E636 HydrophobicContact CD2-CG 3.55Å
614	M	96.6	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.213	C	C	.	.			trans	-125.4	41.4	179.8	-55.7	-168.2	65.3	0	0	110.6	I584 L600 L612 I619 M627 L635 E636 F637 N640	I584-M614 HydrophobicContact CD1-CE 3.43Å; I584-M614 VanDerWaalsContact CD1-CE 3.43Å; I584-M614 HydrophobicContact CD1-CG 3.79Å; I584-M614 HydrophobicContact CD1-SD 3.99Å; I584-M614 HydrophobicContact CG1-CB 4.45Å; I584-M614 HydrophobicContact CG1-CE 4.31Å; I584-M614 HydrophobicContact CG1-CG 3.76Å; L600-M614 HydrophobicContact CD2-CE 3.45Å; L600-M614 VanDerWaalsContact CD2-CE 3.45Å; L612-M614 HydrophobicContact CD1-CG 3.98Å; L612-M614 HydrophobicContact CD1-SD 4.47Å; L612-M614 HydrophobicContact CD2-CG 4.12Å; L612-M614 HydrophobicContact CD2-SD 3.77Å; L612-M614 HydrophobicContact CG-CG 3.76Å; L612-M614 HydrophobicContact CG-SD 4.11Å; M614-I619 HydrophobicContact CE-CD1 3.81Å; M614-M627 HydrophobicContact SD-CE 4.26Å; M614-L635 HydrophobicContact CG-CD1 4.43Å; M614-E636 PolarHBondContact N-O 3.25Å; M614-F637 HydrophobicContact CB-CD2 3.88Å; M614-F637 HydrophobicContact CB-CE2 4.15Å; M614-F637 HydrophobicContact CE-CE2 4.38Å; M614-F637 HydrophobicContact SD-CD2 4.31Å; M614-F637 HydrophobicContact SD-CE2 4.11Å; M614-N640 PolarHBondContact O-ND2 3.27Å
615	N	97.1	Very high	95.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	143.2	-169.6	-63.8	-47	0	0	0	111.2	S585 K586 N617 E636 R638	S585-N615 CarbonylContact C-O 3.46Å; S585-N615 WeakPolarHBondContact CA-O 3.26Å; S585-N615 VanDerWaalsContact CB-O 3.24Å; S585-N615 WeakPolarHBondContact CB-O 3.11Å; S585-N615 WeakPolarHBondContact OG-CB 3.26Å; S585-N615 PolarHBondContact OG-N 2.88Å; S585-N615 VanDerWaalsContact OG-N 3.14Å; K586-N615 PolarHBondContact N-O 3.06Å; N615-N617 PolarHBondContact O-N 2.69Å; N615-N617 PolarHBondContact O-OD1 3.44Å; N615-E636 WeakPolarHBondContact ND2-CB 3.15Å; N615-E636 PolarHBondContact ND2-OE2 2.82Å; N615-E636 VanDerWaalsContact OD1-C 3.28Å; N615-E636 WeakPolarHBondContact OD1-CB 3.4Å; N615-E636 PolarHBondContact OD1-O 3Å; N615-R638 CarbonylContact C-O 3.59Å; N615-R638 VanDerWaalsContact CA-O 3.29Å; N615-R638 WeakPolarHBondContact CA-O 3.36Å; N615-R638 HydrophobicContact CB-CG 3.77Å; N615-R638 VanDerWaalsContact ND2-CZ 3.28Å; N615-R638 PolarHBondContact ND2-NH2 2.75Å; N615-R638 WeakPolarHBondContact OD1-CD 3.47Å; N615-R638 WeakPolarHBondContact OD1-CG 3.41Å; N615-R638 PolarHBondContact OD1-N 3.1Å
616	H	96.5	Very high	95.3	Very high	82 Å²	82	42.5 Å²	42.5	38%	0.38	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	34.6	174.2	-53.7	-76.5	0	0	0	114	K586 R638 G639	K586-H616 HydrophobicContact CG-CB 4.09Å; H616-R638 PolarHBondContact N-O 3.15Å; H616-G639 WeakPolarHBondContact CA-O 3.38Å
617	N	96.5	Very high	95.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.211	C	C	.	.			trans	-90.3	-4.2	175.8	-73.1	-9.9	0	0	0	113	I584 S585 K586 N587 N588 F591 N615 I619 N640	I584-N617 PolarHBondContact O-ND2 3Å; I584-N617 PolarHBondContact O-OD1 3.14Å; I584-N617 VanDerWaalsContact O-OD1 3.09Å; S585-N617 VanDerWaalsContact C-OD1 3.3Å; K586-N617 PolarHBondContact N-OD1 2.77Å; N587-N617 PolarHBondContact N-OD1 2.88Å; N588-N617 WeakPolarHBondContact CA-O 3.32Å; F591-N617 WeakPolarHBondContact CB-O 3.08Å; F591-N617 HydrophobicContact CD2-CB 3.86Å; F591-N617 WeakPolarHBondContact CD2-O 3.31Å; F591-N617 HydrophobicContact CE2-CB 3.98Å; N615-N617 PolarHBondContact O-N 2.69Å; N615-N617 PolarHBondContact O-OD1 3.44Å; N617-I619 HydrophobicContact CB-CD1 3.78Å; N617-I619 HydrophobicContact CB-CG1 3.68Å; N617-I619 PolarHBondContact O-N 3.35Å; N617-I619 VanDerWaalsContact O-N 3.1Å; N617-N640 WeakPolarHBondContact CA-OD1 3.43Å; N617-N640 WeakPolarHBondContact CB-OD1 3.26Å; N617-N640 PolarHBondContact N-OD1 3.16Å; N617-N640 VanDerWaalsContact N-OD1 3.14Å
618	K	95.6	Very high	95.3	Very high	92 Å²	92	38.5 Å²	38.5	40%	0.4	20%	0.195	S	C	.	.			trans	57.5	22.8	-179.7	-58.8	-70.7	-169.1	172.5	0	114.3	N588 E592 S620 N640	N588-K618 HydrophobicContact CB-CB 4.06Å; N588-K618 HydrophobicContact CB-CG 3.8Å; E592-K618 HydrophobicContact CG-CB 3.97Å; E592-K618 HydrophobicContact CG-CG 4.33Å; E592-K618 WeakPolarHBondContact OE1-CG 3.44Å; K618-S620 PolarHBondContact O-N 2.88Å; K618-N640 PolarHBondContact N-OD1 3.09Å
619	I	95.6	Very high	95.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.			trans	-57.4	110.6	-176.9	-60.1	163.1	0	0	0	110.1	F591 L600 M614 N617 F637 N640 R641 L645	F591-I619 HydrophobicContact CB-CG1 4.49Å; F591-I619 HydrophobicContact CD1-CG1 3.76Å; F591-I619 HydrophobicContact CD2-CG1 4.03Å; F591-I619 HydrophobicContact CE1-CD1 4.39Å; F591-I619 HydrophobicContact CE1-CG1 3.88Å; F591-I619 HydrophobicContact CE2-CG1 4.17Å; F591-I619 HydrophobicContact CG-CG1 3.84Å; F591-I619 HydrophobicContact CZ-CD1 4.28Å; F591-I619 HydrophobicContact CZ-CG1 4.09Å; L600-I619 HydrophobicContact CD1-CD1 4.28Å; L600-I619 HydrophobicContact CD1-CG2 3.79Å; M614-I619 HydrophobicContact CE-CD1 3.81Å; N617-I619 HydrophobicContact CB-CD1 3.78Å; N617-I619 HydrophobicContact CB-CG1 3.68Å; N617-I619 PolarHBondContact O-N 3.35Å; N617-I619 VanDerWaalsContact O-N 3.1Å; I619-F637 HydrophobicContact CB-CZ 4.05Å; I619-F637 HydrophobicContact CD1-CE2 3.6Å; I619-F637 HydrophobicContact CD1-CZ 3.55Å; I619-F637 HydrophobicContact CG1-CZ 4.39Å; I619-F637 HydrophobicContact CG2-CZ 4.11Å; I619-N640 HydrophobicContact CB-CB 4.21Å; I619-N640 PolarHBondContact N-OD1 2.92Å; I619-N640 VanDerWaalsContact N-OD1 3.16Å; I619-R641 CarbonylContact O-C 3.23Å; I619-R641 WeakPolarHBondContact O-CA 3.05Å; I619-R641 WeakPolarHBondContact O-CB 3.42Å; I619-R641 PolarHBondContact O-N 3.49Å; I619-L645 HydrophobicContact CG2-CD1 4.34Å
620	S	93.5	Very high	95.2	Very high	25 Å²	25	37.4 Å²	37.4	18%	0.175	20%	0.195	C	C	.	.			trans	-114.1	-19.7	178.1	46.5	0	0	0	0	113.9	K618 L645	K618-S620 PolarHBondContact O-N 2.88Å; S620-L645 VanDerWaalsContact O-CD2 3.25Å; S620-L645 WeakPolarHBondContact O-CD2 3.17Å; S620-L645 WeakPolarHBondContact O-CG 3.33Å
621	T	91.4	Very high	95.2	Very high	63 Å²	63	33.8 Å²	33.8	39%	0.387	18%	0.182	S	C	.	.			trans	-134.2	154.6	179.7	55.9	0	0	0	0	109.9
622	S	92	Very high	95.2	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	17%	0.17	C	C	.	.			trans	-152.5	137.5	174.7	-174.8	0	0	0	0	109.3	N624 Y653 Y656	S622-N624 PolarHBondContact OG-O 3.25Å; S622-N624 PolarHBondContact OG-OD1 3.07Å; S622-N624 VanDerWaalsContact OG-OD1 3.05Å; S622-Y653 WeakPolarHBondContact O-CE1 3.49Å; S622-Y653 PolarHBondContact O-OH 3.08Å; S622-Y656 WeakPolarHBondContact CB-OH 3.48Å; S622-Y656 PolarHBondContact OG-OH 3.02Å
623	T	92.8	Very high	95.2	Very high	78 Å²	78	34.1 Å²	34.1	48%	0.479	18%	0.182	S	C	.	.	S	Bend	trans	-76.4	-36.8	-178.6	-55.1	0	0	0	0	111	T597 H598 M599	T597-T623 WeakPolarHBondContact CA-OG1 3.47Å; T597-T623 HydrophobicContact CG2-CG2 4.24Å; T597-T623 WeakPolarHBondContact CG2-OG1 3.31Å; H598-T623 PolarHBondContact N-OG1 2.75Å; H598-T623 PolarHBondContact O-N 3.29Å; M599-T623 HydrophobicContact SD-CG2 4.19Å
624	N	92.8	Very high	95.2	Very high	16 Å²	16	36 Å²	36	9%	0.086	19%	0.19	C	C	.	.	S	Bend	trans	-82.2	147.4	171	60	-72.6	0	0	0	111	H598 L600 N601 S622 E626 Y656	H598-N624 PolarHBondContact O-OD1 2.95Å; L600-N624 PolarHBondContact N-OD1 2.81Å; N601-N624 HydrophobicContact CB-CB 4.29Å; N601-N624 PolarHBondContact N-ND2 3.11Å; S622-N624 PolarHBondContact OG-O 3.25Å; S622-N624 PolarHBondContact OG-OD1 3.07Å; S622-N624 VanDerWaalsContact OG-OD1 3.05Å; N624-E626 PolarHBondContact ND2-O 3Å; N624-Y656 WeakPolarHBondContact O-CE2 3.35Å
625	T	91.6	Very high	95.3	Very high	67 Å²	67	36 Å²	36	41%	0.411	19%	0.19	S	C	.	.	S	Bend	trans	-90.4	-7.7	178.8	52.4	0	0	0	0	113.5	R652 Y656	T625-R652 WeakPolarHBondContact CB-O 3.42Å; T625-R652 HydrophobicContact CG2-CB 4.3Å; T625-Y656 VanDerWaalsContact O-CD2 3.24Å; T625-Y656 WeakPolarHBondContact O-CD2 3.06Å
626	E	93.2	Very high	95.3	Very high	58 Å²	58	37.1 Å²	37.1	27%	0.271	20%	0.195	S	C	.	.			trans	-148.4	144.9	-174.2	-60.9	178	171.6	0	0	112	N624 K659	N624-E626 PolarHBondContact ND2-O 3Å; E626-K659 VanDerWaalsContact OE2-CD 3.23Å; E626-K659 WeakPolarHBondContact OE2-CD 3.46Å; E626-K659 WeakPolarHBondContact OE2-CE 3.38Å; E626-K659 IonicContact OE2-NZ 3.53Å; E626-K659 PolarHBondContact OE2-NZ 3.4Å
627	M	95.4	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.			trans	-99.8	136.6	167.7	-64.7	-178.4	69.7	0	0	110.4	L600 T603 L612 M614 Y656 F657 K659 L660	L600-M627 HydrophobicContact CB-CG 4.41Å; T603-M627 HydrophobicContact CG2-CE 4Å; L612-M627 HydrophobicContact CD2-CE 4.3Å; M614-M627 HydrophobicContact SD-CE 4.26Å; M627-Y656 HydrophobicContact CG-CD1 4.17Å; M627-Y656 HydrophobicContact CG-CE1 3.65Å; M627-Y656 PolarHBondContact N-O 3.4Å; M627-Y656 HydrophobicContact SD-CD1 4.14Å; M627-Y656 HydrophobicContact SD-CE1 3.57Å; M627-Y656 VanDerWaalsContact SD-CE1 3.57Å; M627-F657 HydrophobicContact SD-CD1 4.21Å; M627-F657 HydrophobicContact SD-CE1 4.03Å; M627-K659 WeakPolarHBondContact O-CB 3.1Å; M627-L660 HydrophobicContact CB-CD2 4.07Å; M627-L660 HydrophobicContact CB-CG 4.39Å
628	E	95.4	Very high	95.4	Very high	46 Å²	46	37.4 Å²	37.4	22%	0.215	19%	0.192	C	C	.	.			trans	-121.1	131.5	-177	-53.8	-169.1	163.2	0	0	110.9	T603 K604 K659	T603-E628 CarbonylContact C-O 3.05Å; T603-E628 VanDerWaalsContact C-O 3.26Å; T603-E628 WeakPolarHBondContact CB-O 3.39Å; T603-E628 PolarHBondContact OG1-O 3.08Å; K604-E628 WeakPolarHBondContact CA-O 3.22Å; K604-E628 HydrophobicContact CB-CB 4.28Å; K604-E628 WeakPolarHBondContact CD-OE2 3.43Å; K604-E628 WeakPolarHBondContact CE-OE2 3.32Å; K604-E628 PolarHBondContact N-O 3.24Å; K604-E628 VanDerWaalsContact N-O 3.07Å; K604-E628 IonicContact NZ-OE2 3.38Å; K604-E628 PolarHBondContact NZ-OE2 2.93Å; E628-K659 HydrophobicContact CB-CB 4.44Å; E628-K659 HydrophobicContact CG-CB 4.07Å; E628-K659 HydrophobicContact CG-CD 3.69Å; E628-K659 VanDerWaalsContact OE1-CD 3.3Å; E628-K659 WeakPolarHBondContact OE1-CD 3.35Å; E628-K659 IonicContact OE1-NZ 3.86Å; E628-K659 PolarHBondContact OE1-NZ 2.92Å
629	S	96.6	Very high	95.5	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.035	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-161.5	137.7	169.2	-177.4	0	0	0	0	110.8	S631 L632 K659 R661	S629-S631 PolarHBondContact OG-N 2.79Å; S629-S631 PolarHBondContact OG-OG 3.26Å; S629-L632 WeakPolarHBondContact OG-CB 3.15Å; S629-L632 PolarHBondContact OG-N 3.22Å; S629-L632 VanDerWaalsContact OG-N 3.14Å; S629-K659 PolarHBondContact N-O 2.96Å; S629-R661 PolarHBondContact O-N 2.85Å; S629-R661 VanDerWaalsContact O-N 3.15Å
630	D	95	Very high	95.6	Very high	84 Å²	84	33.4 Å²	33.4	45%	0.449	18%	0.177	S	C	.	.	S	Bend	trans	-96.3	-4.4	175.2	-60.3	-58.8	0	0	0	112.6	R661 N662	D630-R661 IonicContact OD1-CZ 3.02Å; D630-R661 IonicContact OD1-NE 2.71Å; D630-R661 IonicContact OD1-NH1 3.02Å; D630-R661 PolarHBondContact OD1-NH1 3.25Å; D630-N662 PolarHBondContact O-ND2 3.08Å
631	S	97.1	Very high	95.7	Very high	20 Å²	20	35.6 Å²	35.6	14%	0.14	18%	0.182	C	C	.	.	S	Bend	trans	-123.7	-22.3	-171.8	47.7	0	0	0	0	114.1	L606 K607 L609 S629 E633	L606-S631 PolarHBondContact O-OG 3.48Å; K607-S631 WeakPolarHBondContact O-CB 3.5Å; K607-S631 PolarHBondContact O-OG 3.36Å; L609-S631 CarbonylContact O-C 3.56Å; L609-S631 VanDerWaalsContact O-CB 3.3Å; L609-S631 WeakPolarHBondContact O-CB 3.29Å; L609-S631 VanDerWaalsContact O-O 3.13Å; L609-S631 PolarHBondContact O-OG 3.24Å; L609-S631 VanDerWaalsContact O-OG 3.07Å; S629-S631 PolarHBondContact OG-N 2.79Å; S629-S631 PolarHBondContact OG-OG 3.26Å; S631-E633 PolarHBondContact O-N 3.36Å
632	L	98	Very high	95.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.163	C	C	.	.			trans	-66.3	121.6	-173.4	-167.9	70.8	0	0	0	111.6	L609 L612 S629 L635 L660 N662 L663	L609-L632 HydrophobicContact CD2-CD1 3.91Å; L609-L632 HydrophobicContact CG-CD1 3.94Å; L609-L632 VanDerWaalsContact O-CA 3.29Å; L609-L632 WeakPolarHBondContact O-CA 3.24Å; L609-L632 PolarHBondContact O-N 3.23Å; L609-L632 VanDerWaalsContact O-N 3.16Å; L612-L632 HydrophobicContact CB-CD1 3.58Å; L612-L632 HydrophobicContact CB-CD2 4.22Å; L612-L632 HydrophobicContact CD2-CD2 4.41Å; S629-L632 WeakPolarHBondContact OG-CB 3.15Å; S629-L632 PolarHBondContact OG-N 3.22Å; S629-L632 VanDerWaalsContact OG-N 3.14Å; L632-L635 HydrophobicContact CD2-CB 4.19Å; L632-L660 HydrophobicContact CD2-CD1 4.31Å; L632-L660 HydrophobicContact CD2-CD2 4.14Å; L632-N662 CarbonylContact O-C 3.43Å; L632-L663 HydrophobicContact CD2-CD1 4.03Å; L632-L663 HydrophobicContact CG-CD1 4Å; L632-L663 VanDerWaalsContact O-CA 3.31Å; L632-L663 WeakPolarHBondContact O-CA 3.33Å; L632-L663 PolarHBondContact O-N 3.5Å; L632-L663 VanDerWaalsContact O-N 3.14Å
633	E	98.1	Very high	96	Very high	53 Å²	53	34.4 Å²	34.4	25%	0.248	17%	0.173	C	C	.	.			trans	-102.3	-31.6	-179.7	-58.6	-170.4	-136.3	0	0	111.8	K610 S631 K664 L665	K610-E633 WeakPolarHBondContact CD-OE1 3.45Å; K610-E633 WeakPolarHBondContact CE-OE1 3.09Å; K610-E633 IonicContact NZ-OE1 2.72Å; K610-E633 PolarHBondContact NZ-OE1 2.82Å; K610-E633 VanDerWaalsContact NZ-OE1 3.1Å; K610-E633 PolarHBondContact O-N 2.97Å; S631-E633 PolarHBondContact O-N 3.36Å; E633-K664 WeakPolarHBondContact O-CA 3.33Å; E633-K664 PolarHBondContact O-N 2.93Å; E633-K664 IonicContact OE2-NZ 2.89Å; E633-K664 PolarHBondContact OE2-NZ 3.12Å; E633-L665 PolarHBondContact O-N 3.19Å
634	K	98.3	Very high	96.1	Very high	60 Å²	60	34.6 Å²	34.6	26%	0.261	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.5	-177.2	175.3	174.5	174.5	-169	0	111.4	K610 I611 L612 E636 L665	K610-K634 PolarHBondContact O-N 3.35Å; I611-K634 WeakPolarHBondContact CA-O 3.25Å; I611-K634 HydrophobicContact CG1-CB 4.19Å; I611-K634 HydrophobicContact CG2-CB 4.34Å; I611-K634 HydrophobicContact CG2-CD 4.1Å; I611-K634 HydrophobicContact CG2-CG 4.21Å; L612-K634 PolarHBondContact N-O 3.1Å; K634-E636 WeakPolarHBondContact CE-OE1 3.21Å; K634-E636 IonicContact NZ-OE1 2.71Å; K634-E636 PolarHBondContact NZ-OE1 3.39Å; K634-L665 WeakPolarHBondContact CA-O 3.35Å; K634-L665 HydrophobicContact CB-CB 4.34Å; K634-L665 HydrophobicContact CD-CD1 4.3Å; K634-L665 HydrophobicContact CD-CD2 4.46Å; K634-L665 HydrophobicContact CG-CB 4.16Å; K634-L665 HydrophobicContact CG-CD2 4.03Å; K634-L665 HydrophobicContact CG-CG 4.45Å
635	L	98.4	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.8	173.5	177.3	58.3	0	0	0	109.9	L612 M614 L632 F637 F657 L660 L663 L665 L666 D667	L612-L635 HydrophobicContact CB-CD1 4.05Å; L612-L635 HydrophobicContact CD2-CD1 3.97Å; L612-L635 HydrophobicContact CG-CD1 3.93Å; L612-L635 WeakPolarHBondContact O-CA 3.03Å; M614-L635 HydrophobicContact CG-CD1 4.43Å; L632-L635 HydrophobicContact CD2-CB 4.19Å; L635-F637 HydrophobicContact CG-CB 4.42Å; L635-F657 HydrophobicContact CD2-CD1 3.91Å; L635-F657 HydrophobicContact CD2-CE1 3.82Å; L635-L660 HydrophobicContact CD2-CD1 3.8Å; L635-L663 HydrophobicContact CB-CD1 3.73Å; L635-L663 HydrophobicContact CB-CD2 4.32Å; L635-L665 PolarHBondContact N-O 3.48Å; L635-L666 HydrophobicContact CB-CD1 4.18Å; L635-L666 HydrophobicContact CD2-CD1 3.93Å; L635-L666 HydrophobicContact CG-CD1 4.1Å; L635-D667 PolarHBondContact O-N 2.85Å
636	E	98.3	Very high	96.2	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.112	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.9	165.5	-59.4	-171.6	-169.3	0	0	109.9	L612 L613 M614 N615 K634 R638 D667	L612-E636 PolarHBondContact O-N 3.3Å; L613-E636 HydrophobicContact CD2-CB 3.76Å; L613-E636 VanDerWaalsContact CD2-CD 3.41Å; L613-E636 HydrophobicContact CD2-CG 3.55Å; M614-E636 PolarHBondContact N-O 3.25Å; N615-E636 WeakPolarHBondContact ND2-CB 3.15Å; N615-E636 PolarHBondContact ND2-OE2 2.82Å; N615-E636 VanDerWaalsContact OD1-C 3.28Å; N615-E636 WeakPolarHBondContact OD1-CB 3.4Å; N615-E636 PolarHBondContact OD1-O 3Å; K634-E636 WeakPolarHBondContact CE-OE1 3.21Å; K634-E636 IonicContact NZ-OE1 2.71Å; K634-E636 PolarHBondContact NZ-OE1 3.39Å; E636-R638 IonicContact OE2-CZ 2.66Å; E636-R638 IonicContact OE2-NH1 3.89Å; E636-R638 PolarHBondContact OE2-NH1 2.94Å; E636-R638 IonicContact OE2-NH2 2.66Å; E636-D667 HydrophobicContact CB-CB 4.5Å; E636-D667 HydrophobicContact CG-CB 4.35Å
637	F	97.6	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.161	C	C	.	.			trans	-125.5	31.1	-177.2	-153.7	-102.1	0	0	0	111.1	M614 I619 L635 N640 L642 F657 D667 I668 N671	M614-F637 HydrophobicContact CB-CD2 3.88Å; M614-F637 HydrophobicContact CB-CE2 4.15Å; M614-F637 HydrophobicContact CE-CE2 4.38Å; M614-F637 HydrophobicContact SD-CD2 4.31Å; M614-F637 HydrophobicContact SD-CE2 4.11Å; I619-F637 HydrophobicContact CB-CZ 4.05Å; I619-F637 HydrophobicContact CD1-CE2 3.6Å; I619-F637 HydrophobicContact CD1-CZ 3.55Å; I619-F637 HydrophobicContact CG1-CZ 4.39Å; I619-F637 HydrophobicContact CG2-CZ 4.11Å; L635-F637 HydrophobicContact CG-CB 4.42Å; F637-N640 HydrophobicContact CD1-CB 3.89Å; F637-N640 WeakPolarHBondContact CD1-ND2 3.38Å; F637-N640 HydrophobicContact CE1-CB 3.58Å; F637-N640 WeakPolarHBondContact CG-ND2 3.34Å; F637-N640 HydrophobicContact CZ-CB 4.23Å; F637-N640 PolarHBondContact O-ND2 3.04Å; F637-N640 VanDerWaalsContact O-ND2 3.11Å; F637-L642 HydrophobicContact CD1-CD1 3.97Å; F637-L642 HydrophobicContact CD1-CD2 4.28Å; F637-L642 HydrophobicContact CD1-CG 4.04Å; F637-L642 HydrophobicContact CE1-CD1 4.4Å; F637-L642 HydrophobicContact CE1-CD2 3.92Å; F637-L642 HydrophobicContact CE1-CG 3.98Å; F637-F657 HydrophobicContact CD1-CZ 4.27Å; F637-F657 HydrophobicContact CG-CZ 4.48Å; F637-D667 CarbonylContact C-O 3.22Å; F637-D667 WeakPolarHBondContact CA-O 3.31Å; F637-D667 PolarHBondContact N-O 2.54Å; F637-I668 HydrophobicContact CB-CG2 4.39Å; F637-N671 PolarHBondContact O-ND2 3.33Å
638	R	97.1	Very high	95.5	Very high	88 Å²	88	41.3 Å²	41.3	33%	0.332	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	150.2	-173.8	85.6	-155.5	167.9	-150.1	-12.3	111.6	N615 H616 E636 N640 D667 S669	N615-R638 CarbonylContact C-O 3.59Å; N615-R638 VanDerWaalsContact CA-O 3.29Å; N615-R638 WeakPolarHBondContact CA-O 3.36Å; N615-R638 HydrophobicContact CB-CG 3.77Å; N615-R638 VanDerWaalsContact ND2-CZ 3.28Å; N615-R638 PolarHBondContact ND2-NH2 2.75Å; N615-R638 WeakPolarHBondContact OD1-CD 3.47Å; N615-R638 WeakPolarHBondContact OD1-CG 3.41Å; N615-R638 PolarHBondContact OD1-N 3.1Å; H616-R638 PolarHBondContact N-O 3.15Å; E636-R638 IonicContact OE2-CZ 2.66Å; E636-R638 IonicContact OE2-NH1 3.89Å; E636-R638 PolarHBondContact OE2-NH1 2.94Å; E636-R638 IonicContact OE2-NH2 2.66Å; R638-N640 VanDerWaalsContact C-N 3.3Å; R638-N640 PolarHBondContact O-N 3.46Å; R638-D667 PolarHBondContact N-O 2.72Å; R638-S669 CarbonylContact C-O 3.6Å; R638-S669 WeakPolarHBondContact CA-O 3.42Å; R638-S669 VanDerWaalsContact CB-O 3.31Å; R638-S669 WeakPolarHBondContact CB-O 3.48Å
639	G	96.6	Very high	94.9	Very high	8 Å²	8	42.9 Å²	42.9	8%	0.082	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	22.3	173.4	0	0	0	0	0	115	H616 S669 S670	H616-G639 WeakPolarHBondContact CA-O 3.38Å; G639-S669 PolarHBondContact N-O 3.12Å; G639-S670 VanDerWaalsContact CA-O 3.22Å; G639-S670 WeakPolarHBondContact CA-O 3.47Å; G639-S670 PolarHBondContact N-O 2.9Å
640	N	97.8	Very high	94.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.224	C	C	.	.	S	Bend	trans	-97.3	-164.7	170.6	-68.4	-55.5	0	0	0	110.5	M614 N617 K618 I619 F637 R638 N671	M614-N640 PolarHBondContact O-ND2 3.27Å; N617-N640 WeakPolarHBondContact CA-OD1 3.43Å; N617-N640 WeakPolarHBondContact CB-OD1 3.26Å; N617-N640 PolarHBondContact N-OD1 3.16Å; N617-N640 VanDerWaalsContact N-OD1 3.14Å; K618-N640 PolarHBondContact N-OD1 3.09Å; I619-N640 HydrophobicContact CB-CB 4.21Å; I619-N640 PolarHBondContact N-OD1 2.92Å; I619-N640 VanDerWaalsContact N-OD1 3.16Å; F637-N640 HydrophobicContact CD1-CB 3.89Å; F637-N640 WeakPolarHBondContact CD1-ND2 3.38Å; F637-N640 HydrophobicContact CE1-CB 3.58Å; F637-N640 WeakPolarHBondContact CG-ND2 3.34Å; F637-N640 HydrophobicContact CZ-CB 4.23Å; F637-N640 PolarHBondContact O-ND2 3.04Å; F637-N640 VanDerWaalsContact O-ND2 3.11Å; R638-N640 VanDerWaalsContact C-N 3.3Å; R638-N640 PolarHBondContact O-N 3.46Å; N640-N671 WeakPolarHBondContact CA-OD1 3.22Å; N640-N671 VanDerWaalsContact CB-OD1 3.23Å; N640-N671 WeakPolarHBondContact CB-OD1 3.47Å; N640-N671 PolarHBondContact N-OD1 3.43Å; N640-N671 WeakPolarHBondContact O-CA 3.36Å; N640-N671 PolarHBondContact O-OD1 3.17Å
641	R	95.9	Very high	94.4	Very high	70 Å²	70	44.1 Å²	44.1	26%	0.264	23%	0.231	S	C	.	.			trans	-123	54.3	-177.5	-62.5	-60.5	-55.4	-75.4	0	111.4	I619 D643 M644 L645 N671	I619-R641 CarbonylContact O-C 3.23Å; I619-R641 WeakPolarHBondContact O-CA 3.05Å; I619-R641 WeakPolarHBondContact O-CB 3.42Å; I619-R641 PolarHBondContact O-N 3.49Å; R641-D643 VanDerWaalsContact C-OD1 3.25Å; R641-D643 WeakPolarHBondContact CA-OD1 3.28Å; R641-D643 WeakPolarHBondContact CB-OD1 3.46Å; R641-D643 IonicContact CZ-OD1 3.12Å; R641-D643 IonicContact CZ-OD2 2.7Å; R641-D643 IonicContact NE-OD1 2.81Å; R641-D643 PolarHBondContact NE-OD1 2.74Å; R641-D643 IonicContact NE-OD2 3.78Å; R641-D643 PolarHBondContact NE-OD2 3.23Å; R641-D643 IonicContact NH2-OD1 3.41Å; R641-D643 IonicContact NH2-OD2 2.97Å; R641-D643 PolarHBondContact NH2-OD2 3.32Å; R641-D643 PolarHBondContact O-N 3.34Å; R641-M644 HydrophobicContact CB-CB 4.42Å; R641-M644 HydrophobicContact CB-CG 4.17Å; R641-M644 HydrophobicContact CB-SD 4.27Å; R641-M644 PolarHBondContact NH2-SD 3.04Å; R641-M644 VanDerWaalsContact NH2-SD 3.44Å; R641-M644 PolarHBondContact O-N 3.2Å; R641-L645 PolarHBondContact O-N 3Å; R641-N671 PolarHBondContact N-OD1 3.04Å
642	L	95.9	Very high	94.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-21.6	172.2	-71.7	171.2	0	0	0	112.5	F637 M644 L645 W646 F657 I668 N671 L673	F637-L642 HydrophobicContact CD1-CD1 3.97Å; F637-L642 HydrophobicContact CD1-CD2 4.28Å; F637-L642 HydrophobicContact CD1-CG 4.04Å; F637-L642 HydrophobicContact CE1-CD1 4.4Å; F637-L642 HydrophobicContact CE1-CD2 3.92Å; F637-L642 HydrophobicContact CE1-CG 3.98Å; L642-M644 PolarHBondContact O-N 3.06Å; L642-L645 HydrophobicContact CD2-CB 4.47Å; L642-L645 HydrophobicContact CD2-CD1 4Å; L642-L645 PolarHBondContact O-N 3.17Å; L642-W646 HydrophobicContact CB-CD2 4.39Å; L642-W646 HydrophobicContact CB-CE3 4.12Å; L642-W646 HydrophobicContact CB-CZ3 4.37Å; L642-W646 HydrophobicContact CD1-CH2 4.02Å; L642-W646 HydrophobicContact CD1-CZ2 4.49Å; L642-W646 HydrophobicContact CD1-CZ3 4.09Å; L642-W646 HydrophobicContact CD2-CD2 4.46Å; L642-W646 HydrophobicContact CD2-CZ2 4.21Å; L642-W646 VanDerWaalsContact O-CB 3.29Å; L642-W646 WeakPolarHBondContact O-CB 3.04Å; L642-W646 PolarHBondContact O-N 2.78Å; L642-F657 HydrophobicContact CD1-CE2 4.32Å; L642-F657 HydrophobicContact CD1-CZ 4.39Å; L642-F657 HydrophobicContact CD2-CE2 4.19Å; L642-F657 HydrophobicContact CD2-CZ 4.06Å; L642-I668 HydrophobicContact CD1-CB 3.8Å; L642-I668 HydrophobicContact CD1-CG2 3.47Å; L642-I668 VanDerWaalsContact CD1-CG2 3.47Å; L642-N671 HydrophobicContact CB-CB 4.01Å; L642-N671 HydrophobicContact CD1-CB 4.29Å; L642-N671 HydrophobicContact CG-CB 4.41Å; L642-N671 WeakPolarHBondContact CG-OD1 3.39Å; L642-N671 PolarHBondContact N-OD1 3.46Å; L642-L673 HydrophobicContact CB-CD2 3.91Å
643	D	94.9	Very high	93.9	Very high	44 Å²	44	50 Å²	50	24%	0.235	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-32.4	169.3	65.1	-42	0	0	0	113.1	R641 R647 N671 N672	R641-D643 VanDerWaalsContact C-OD1 3.25Å; R641-D643 WeakPolarHBondContact CA-OD1 3.28Å; R641-D643 WeakPolarHBondContact CB-OD1 3.46Å; R641-D643 IonicContact CZ-OD1 3.12Å; R641-D643 IonicContact CZ-OD2 2.7Å; R641-D643 IonicContact NE-OD1 2.81Å; R641-D643 PolarHBondContact NE-OD1 2.74Å; R641-D643 IonicContact NE-OD2 3.78Å; R641-D643 PolarHBondContact NE-OD2 3.23Å; R641-D643 IonicContact NH2-OD1 3.41Å; R641-D643 IonicContact NH2-OD2 2.97Å; R641-D643 PolarHBondContact NH2-OD2 3.32Å; R641-D643 PolarHBondContact O-N 3.34Å; D643-R647 PolarHBondContact O-N 2.91Å; D643-N671 PolarHBondContact N-O 2.95Å; D643-N672 HydrophobicContact CB-CB 4.32Å
644	M	93.6	Very high	93.6	Very high	81 Å²	81	47.9 Å²	47.9	40%	0.399	24%	0.241	S	C	.	.	H	α-helix	trans	-83.8	-41.1	176.7	-58.7	-172.2	88.4	0	0	112	R641 L642 W646 R647	R641-M644 HydrophobicContact CB-CB 4.42Å; R641-M644 HydrophobicContact CB-CG 4.17Å; R641-M644 HydrophobicContact CB-SD 4.27Å; R641-M644 PolarHBondContact NH2-SD 3.04Å; R641-M644 VanDerWaalsContact NH2-SD 3.44Å; R641-M644 PolarHBondContact O-N 3.2Å; L642-M644 PolarHBondContact O-N 3.06Å; M644-W646 VanDerWaalsContact C-N 3.33Å; M644-W646 PolarHBondContact O-N 3.39Å; M644-R647 WeakPolarHBondContact O-CB 3.16Å; M644-R647 WeakPolarHBondContact O-CD 3.38Å; M644-R647 VanDerWaalsContact O-CG 3.27Å; M644-R647 WeakPolarHBondContact O-CG 3.03Å; M644-R647 PolarHBondContact O-N 3.09Å
645	L	92.5	Very high	93.4	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-34.6	176.4	-70.1	174.1	0	0	0	112.4	I619 S620 R641 L642 Y653	I619-L645 HydrophobicContact CG2-CD1 4.34Å; S620-L645 VanDerWaalsContact O-CD2 3.25Å; S620-L645 WeakPolarHBondContact O-CD2 3.17Å; S620-L645 WeakPolarHBondContact O-CG 3.33Å; R641-L645 PolarHBondContact O-N 3Å; L642-L645 HydrophobicContact CD2-CB 4.47Å; L642-L645 HydrophobicContact CD2-CD1 4Å; L642-L645 PolarHBondContact O-N 3.17Å; L645-Y653 HydrophobicContact CB-CD2 4.32Å; L645-Y653 HydrophobicContact CB-CG 4.38Å; L645-Y653 HydrophobicContact CD2-CD1 4.18Å; L645-Y653 HydrophobicContact CD2-CD2 3.89Å; L645-Y653 HydrophobicContact CD2-CE1 4.15Å; L645-Y653 HydrophobicContact CD2-CE2 3.84Å; L645-Y653 HydrophobicContact CD2-CG 4.05Å; L645-Y653 WeakPolarHBondContact O-CD2 3.15Å
646	W	93.7	Very high	93.2	Very high	16 Å²	16	49 Å²	49	6%	0.061	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	20.1	178.8	-63.9	-21.8	0	0	0	113.8	L642 M644 Y653 F657 I668 L673 R677 V680	L642-W646 HydrophobicContact CB-CD2 4.39Å; L642-W646 HydrophobicContact CB-CE3 4.12Å; L642-W646 HydrophobicContact CB-CZ3 4.37Å; L642-W646 HydrophobicContact CD1-CH2 4.02Å; L642-W646 HydrophobicContact CD1-CZ2 4.49Å; L642-W646 HydrophobicContact CD1-CZ3 4.09Å; L642-W646 HydrophobicContact CD2-CD2 4.46Å; L642-W646 HydrophobicContact CD2-CZ2 4.21Å; L642-W646 VanDerWaalsContact O-CB 3.29Å; L642-W646 WeakPolarHBondContact O-CB 3.04Å; L642-W646 PolarHBondContact O-N 2.78Å; M644-W646 VanDerWaalsContact C-N 3.33Å; M644-W646 PolarHBondContact O-N 3.39Å; W646-Y653 PolarHBondContact NE1-O 3.4Å; W646-F657 HydrophobicContact CH2-CD2 4.46Å; W646-F657 AromaticContact CH2-CE2 4Å; W646-F657 HydrophobicContact CH2-CE2 4Å; W646-F657 AromaticContact CZ2-CD2 3.98Å; W646-F657 HydrophobicContact CZ2-CD2 3.98Å; W646-F657 AromaticContact CZ2-CE2 3.62Å; W646-F657 HydrophobicContact CZ2-CE2 3.62Å; W646-I668 HydrophobicContact CH2-CD1 4.19Å; W646-I668 HydrophobicContact CZ3-CD1 4.15Å; W646-L673 HydrophobicContact CE3-CD1 4.48Å; W646-L673 HydrophobicContact CE3-CD2 3.81Å; W646-L673 HydrophobicContact CZ3-CD1 4.13Å; W646-L673 HydrophobicContact CZ3-CD2 4.28Å; W646-R677 PolarHBondContact O-NE 2.99Å; W646-R677 VanDerWaalsContact O-NE 3.13Å; W646-R677 PolarHBondContact O-NH2 2.86Å; W646-V680 HydrophobicContact CD2-CG1 4.13Å; W646-V680 HydrophobicContact CD2-CG2 4.18Å; W646-V680 HydrophobicContact CE3-CG1 4.13Å; W646-V680 HydrophobicContact CG-CG2 4.27Å; W646-V680 HydrophobicContact CH2-CG1 3.64Å; W646-V680 HydrophobicContact CZ2-CG1 3.62Å; W646-V680 HydrophobicContact CZ3-CG1 3.91Å
647	R	90.8	Very high	93.1	Very high	137 Å²	137	47.9 Å²	47.9	52%	0.517	24%	0.242	S	C	.	.			trans	-50.6	148.6	176.8	66.4	-174.2	166.4	176.8	-3	112.6	D643 M644 G649 D650 R652 R677	D643-R647 PolarHBondContact O-N 2.91Å; M644-R647 WeakPolarHBondContact O-CB 3.16Å; M644-R647 WeakPolarHBondContact O-CD 3.38Å; M644-R647 VanDerWaalsContact O-CG 3.27Å; M644-R647 WeakPolarHBondContact O-CG 3.03Å; M644-R647 PolarHBondContact O-N 3.09Å; R647-G649 PolarHBondContact O-N 2.77Å; R647-D650 HydrophobicContact CG-CB 3.57Å; R647-D650 IonicContact CZ-OD2 2.71Å; R647-D650 IonicContact NE-OD2 3.02Å; R647-D650 PolarHBondContact NE-OD2 3.03Å; R647-D650 IonicContact NH2-OD2 2.89Å; R647-D650 PolarHBondContact NH2-OD2 2.81Å; R647-D650 VanDerWaalsContact NH2-OD2 3.14Å; R647-D650 PolarHBondContact O-N 3.3Å; R647-D650 VanDerWaalsContact O-N 3.15Å; R647-R652 VanDerWaalsContact NH2-NH2 3.14Å; R647-R677 PolarHBondContact O-NH2 3.4Å
648	D	83.6	Confident	93	Very high	128 Å²	128	50.7 Å²	50.7	68%	0.684	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	136.2	-179.6	-67.2	-29.3	0	0	0	110.9	D650	D648-D650 VanDerWaalsContact C-N 3.32Å; D648-D650 PolarHBondContact O-N 3.3Å
649	G	84	Confident	92.9	Very high	79 Å²	79	50.1 Å²	50.1	81%	0.814	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-13.2	-175.4	0	0	0	0	0	115.5	R647	R647-G649 PolarHBondContact O-N 2.77Å
650	D	89.4	Confident	92.9	Very high	14 Å²	14	49.8 Å²	49.8	8%	0.075	25%	0.25	C	S	.	.			trans	-98.5	112.2	178.3	-161.9	-22.1	0	0	0	110.8	R647 D648 R652 R677	R647-D650 HydrophobicContact CG-CB 3.57Å; R647-D650 IonicContact CZ-OD2 2.71Å; R647-D650 IonicContact NE-OD2 3.02Å; R647-D650 PolarHBondContact NE-OD2 3.03Å; R647-D650 IonicContact NH2-OD2 2.89Å; R647-D650 PolarHBondContact NH2-OD2 2.81Å; R647-D650 VanDerWaalsContact NH2-OD2 3.14Å; R647-D650 PolarHBondContact O-N 3.3Å; R647-D650 VanDerWaalsContact O-N 3.15Å; D648-D650 VanDerWaalsContact C-N 3.32Å; D648-D650 PolarHBondContact O-N 3.3Å; D650-R652 WeakPolarHBondContact OD1-CB 3.5Å; D650-R652 WeakPolarHBondContact OD1-CG 3.38Å; D650-R652 IonicContact OD1-CZ 3.35Å; D650-R652 PolarHBondContact OD1-N 2.66Å; D650-R652 IonicContact OD1-NE 2.66Å; D650-R652 PolarHBondContact OD1-NE 2.75Å; D650-R652 IonicContact OD1-NH2 3.26Å; D650-R652 IonicContact OD2-CZ 3.99Å; D650-R652 IonicContact OD2-NE 3.6Å; D650-R652 PolarHBondContact OD2-NE 3.39Å; D650-R652 IonicContact OD2-NH2 2.7Å; D650-R652 PolarHBondContact OD2-NH2 3.27Å; D650-R677 PolarHBondContact O-NH1 3.11Å; D650-R677 PolarHBondContact O-NH2 2.86Å
651	T	90.1	Very high	92.8	Very high	100 Å²	100	57.4 Å²	57.4	61%	0.613	28%	0.279	S	S	*	.			trans	-96.4	-6.1	-179.3	56.2	0	0	0	0	113.7	Y653 I654	T651-Y653 VanDerWaalsContact C-N 3.32Å; T651-Y653 PolarHBondContact O-N 3.3Å; T651-I654 HydrophobicContact CG2-CD1 3.8Å; T651-I654 PolarHBondContact O-N 3.25Å
652	R	91.9	Very high	92.8	Very high	126 Å²	126	57.7 Å²	57.7	48%	0.475	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.7	-169.2	-63.7	177.3	-65.1	159.5	7.1	113.3	T625 R647 D650	T625-R652 WeakPolarHBondContact CB-O 3.42Å; T625-R652 HydrophobicContact CG2-CB 4.3Å; R647-R652 VanDerWaalsContact NH2-NH2 3.14Å; D650-R652 WeakPolarHBondContact OD1-CB 3.5Å; D650-R652 WeakPolarHBondContact OD1-CG 3.38Å; D650-R652 IonicContact OD1-CZ 3.35Å; D650-R652 PolarHBondContact OD1-N 2.66Å; D650-R652 IonicContact OD1-NE 2.66Å; D650-R652 PolarHBondContact OD1-NE 2.75Å; D650-R652 IonicContact OD1-NH2 3.26Å; D650-R652 IonicContact OD2-CZ 3.99Å; D650-R652 IonicContact OD2-NE 3.6Å; D650-R652 PolarHBondContact OD2-NE 3.39Å; D650-R652 IonicContact OD2-NH2 2.7Å; D650-R652 PolarHBondContact OD2-NH2 3.27Å
653	Y	93.4	Very high	92.9	Very high	18 Å²	18	57.7 Å²	57.7	7%	0.071	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	16.3	-174.5	-50.8	-76.9	0	0	0	113.5	S622 L645 W646 T651 H655 Y656	S622-Y653 WeakPolarHBondContact O-CE1 3.49Å; S622-Y653 PolarHBondContact O-OH 3.08Å; L645-Y653 HydrophobicContact CB-CD2 4.32Å; L645-Y653 HydrophobicContact CB-CG 4.38Å; L645-Y653 HydrophobicContact CD2-CD1 4.18Å; L645-Y653 HydrophobicContact CD2-CD2 3.89Å; L645-Y653 HydrophobicContact CD2-CE1 4.15Å; L645-Y653 HydrophobicContact CD2-CE2 3.84Å; L645-Y653 HydrophobicContact CD2-CG 4.05Å; L645-Y653 WeakPolarHBondContact O-CD2 3.15Å; W646-Y653 PolarHBondContact NE1-O 3.4Å; T651-Y653 VanDerWaalsContact C-N 3.32Å; T651-Y653 PolarHBondContact O-N 3.3Å; Y653-H655 VanDerWaalsContact C-N 3.3Å; Y653-H655 PolarHBondContact O-N 3.01Å; Y653-Y656 AromaticContact CD1-CD2 3.69Å; Y653-Y656 HydrophobicContact CD1-CD2 3.69Å; Y653-Y656 AromaticContact CD1-CE2 3.85Å; Y653-Y656 HydrophobicContact CD1-CE2 3.85Å; Y653-Y656 HydrophobicContact CE1-CE2 4.38Å; Y653-Y656 HydrophobicContact CG-CD2 4.44Å; Y653-Y656 VanDerWaalsContact O-CB 3.29Å; Y653-Y656 WeakPolarHBondContact O-CB 3.46Å; Y653-Y656 PolarHBondContact O-N 3.03Å
654	I	92.1	Very high	93	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.046	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-38.6	178.8	-69.6	173.9	0	0	0	111	T651 Y656 E679 G683	T651-I654 HydrophobicContact CG2-CD1 3.8Å; T651-I654 PolarHBondContact O-N 3.25Å; I654-Y656 VanDerWaalsContact C-N 3.32Å; I654-Y656 PolarHBondContact O-N 3.45Å; I654-E679 HydrophobicContact CD1-CB 3.9Å; I654-E679 VanDerWaalsContact CG2-C 3.48Å; I654-E679 HydrophobicContact CG2-CB 3.86Å; I654-E679 VanDerWaalsContact CG2-O 3.25Å; I654-E679 WeakPolarHBondContact CG2-O 3.3Å; I654-G683 WeakPolarHBondContact O-CA 3.17Å
655	H	93.6	Very high	93.3	Very high	83 Å²	83	57.6 Å²	57.6	38%	0.384	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	18.5	-179	-58.4	95	0	0	0	113.3	Y653 F657 K658	Y653-H655 VanDerWaalsContact C-N 3.3Å; Y653-H655 PolarHBondContact O-N 3.01Å; H655-F657 PolarHBondContact O-N 2.83Å; H655-F657 VanDerWaalsContact O-N 3.09Å; H655-K658 HydrophobicContact CB-CB 4.17Å; H655-K658 WeakPolarHBondContact O-CB 3.26Å; H655-K658 PolarHBondContact O-N 3.44Å
656	Y	94.3	Very high	93.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.4	-167.5	-160.9	-110.5	0	0	0	114	L600 S622 N624 T625 M627 Y653 I654	L600-Y656 WeakPolarHBondContact CB-OH 3.31Å; L600-Y656 WeakPolarHBondContact CD1-OH 3.41Å; S622-Y656 WeakPolarHBondContact CB-OH 3.48Å; S622-Y656 PolarHBondContact OG-OH 3.02Å; N624-Y656 WeakPolarHBondContact O-CE2 3.35Å; T625-Y656 VanDerWaalsContact O-CD2 3.24Å; T625-Y656 WeakPolarHBondContact O-CD2 3.06Å; M627-Y656 HydrophobicContact CG-CD1 4.17Å; M627-Y656 HydrophobicContact CG-CE1 3.65Å; M627-Y656 PolarHBondContact N-O 3.4Å; M627-Y656 HydrophobicContact SD-CD1 4.14Å; M627-Y656 HydrophobicContact SD-CE1 3.57Å; M627-Y656 VanDerWaalsContact SD-CE1 3.57Å; Y653-Y656 AromaticContact CD1-CD2 3.69Å; Y653-Y656 HydrophobicContact CD1-CD2 3.69Å; Y653-Y656 AromaticContact CD1-CE2 3.85Å; Y653-Y656 HydrophobicContact CD1-CE2 3.85Å; Y653-Y656 HydrophobicContact CE1-CE2 4.38Å; Y653-Y656 HydrophobicContact CG-CD2 4.44Å; Y653-Y656 VanDerWaalsContact O-CB 3.29Å; Y653-Y656 WeakPolarHBondContact O-CB 3.46Å; Y653-Y656 PolarHBondContact O-N 3.03Å; I654-Y656 VanDerWaalsContact C-N 3.32Å; I654-Y656 PolarHBondContact O-N 3.45Å
657	F	96.2	Very high	93.8	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-5.3	-178.8	-57	-59.6	0	0	0	113.6	M627 L635 F637 L642 W646 H655 K659 L660 L666 I668 L684 P685	M627-F657 HydrophobicContact SD-CD1 4.21Å; M627-F657 HydrophobicContact SD-CE1 4.03Å; L635-F657 HydrophobicContact CD2-CD1 3.91Å; L635-F657 HydrophobicContact CD2-CE1 3.82Å; F637-F657 HydrophobicContact CD1-CZ 4.27Å; F637-F657 HydrophobicContact CG-CZ 4.48Å; L642-F657 HydrophobicContact CD1-CE2 4.32Å; L642-F657 HydrophobicContact CD1-CZ 4.39Å; L642-F657 HydrophobicContact CD2-CE2 4.19Å; L642-F657 HydrophobicContact CD2-CZ 4.06Å; W646-F657 HydrophobicContact CH2-CD2 4.46Å; W646-F657 AromaticContact CH2-CE2 4Å; W646-F657 HydrophobicContact CH2-CE2 4Å; W646-F657 AromaticContact CZ2-CD2 3.98Å; W646-F657 HydrophobicContact CZ2-CD2 3.98Å; W646-F657 AromaticContact CZ2-CE2 3.62Å; W646-F657 HydrophobicContact CZ2-CE2 3.62Å; H655-F657 PolarHBondContact O-N 2.83Å; H655-F657 VanDerWaalsContact O-N 3.09Å; F657-K659 VanDerWaalsContact C-N 3.28Å; F657-K659 PolarHBondContact O-N 3.06Å; F657-K659 VanDerWaalsContact O-N 3.16Å; F657-L660 HydrophobicContact CB-CD1 4.21Å; F657-L660 HydrophobicContact CD1-CD1 4Å; F657-L660 WeakPolarHBondContact O-CB 3.5Å; F657-L660 WeakPolarHBondContact O-CG 3.26Å; F657-L660 PolarHBondContact O-N 2.94Å; F657-L666 HydrophobicContact CD2-CD2 4.16Å; F657-I668 HydrophobicContact CE2-CG2 4.47Å; F657-L684 HydrophobicContact CD2-CD2 4.47Å; F657-P685 HydrophobicContact CB-CG 4.45Å; F657-P685 WeakPolarHBondContact O-CG 3.3Å
658	K	95.4	Very high	94.1	Very high	58 Å²	58	51.2 Å²	51.2	25%	0.252	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.1	-166.5	-172.3	63.2	-179.3	-172.7	0	113.5	H655 L660 S682 G683 L684 D686	H655-K658 HydrophobicContact CB-CB 4.17Å; H655-K658 WeakPolarHBondContact O-CB 3.26Å; H655-K658 PolarHBondContact O-N 3.44Å; K658-L660 PolarHBondContact O-N 3.18Å; K658-S682 WeakPolarHBondContact CE-O 3.39Å; K658-S682 PolarHBondContact NZ-O 2.78Å; K658-G683 VanDerWaalsContact CA-O 3.31Å; K658-G683 WeakPolarHBondContact CA-O 3.42Å; K658-G683 WeakPolarHBondContact CB-O 3.18Å; K658-G683 PolarHBondContact N-O 2.81Å; K658-L684 WeakPolarHBondContact CD-O 3.31Å; K658-L684 PolarHBondContact NZ-O 3.32Å; K658-D686 IonicContact NZ-OD1 3.96Å; K658-D686 PolarHBondContact NZ-OD1 2.92Å; K658-D686 IonicContact NZ-OD2 2.77Å
659	K	95.9	Very high	94.8	Very high	77 Å²	77	45.6 Å²	45.6	34%	0.335	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	9	-177.6	-72.3	-176.3	175.9	166.8	0	114.3	E626 M627 E628 S629 F657 R661	E626-K659 VanDerWaalsContact OE2-CD 3.23Å; E626-K659 WeakPolarHBondContact OE2-CD 3.46Å; E626-K659 WeakPolarHBondContact OE2-CE 3.38Å; E626-K659 IonicContact OE2-NZ 3.53Å; E626-K659 PolarHBondContact OE2-NZ 3.4Å; M627-K659 WeakPolarHBondContact O-CB 3.1Å; E628-K659 HydrophobicContact CB-CB 4.44Å; E628-K659 HydrophobicContact CG-CB 4.07Å; E628-K659 HydrophobicContact CG-CD 3.69Å; E628-K659 VanDerWaalsContact OE1-CD 3.3Å; E628-K659 WeakPolarHBondContact OE1-CD 3.35Å; E628-K659 IonicContact OE1-NZ 3.86Å; E628-K659 PolarHBondContact OE1-NZ 2.92Å; S629-K659 PolarHBondContact N-O 2.96Å; F657-K659 VanDerWaalsContact C-N 3.28Å; F657-K659 PolarHBondContact O-N 3.06Å; F657-K659 VanDerWaalsContact O-N 3.16Å; K659-R661 VanDerWaalsContact C-N 3.3Å; K659-R661 PolarHBondContact O-N 3.24Å; K659-R661 VanDerWaalsContact O-N 3.15Å
660	L	96.8	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-84	75.4	167.4	-56.9	177.1	0	0	0	109.2	M627 L632 L635 F657 K658 N662 L663 P685	M627-L660 HydrophobicContact CB-CD2 4.07Å; M627-L660 HydrophobicContact CB-CG 4.39Å; L632-L660 HydrophobicContact CD2-CD1 4.31Å; L632-L660 HydrophobicContact CD2-CD2 4.14Å; L635-L660 HydrophobicContact CD2-CD1 3.8Å; F657-L660 HydrophobicContact CB-CD1 4.21Å; F657-L660 HydrophobicContact CD1-CD1 4Å; F657-L660 WeakPolarHBondContact O-CB 3.5Å; F657-L660 WeakPolarHBondContact O-CG 3.26Å; F657-L660 PolarHBondContact O-N 2.94Å; K658-L660 PolarHBondContact O-N 3.18Å; L660-N662 VanDerWaalsContact C-N 3.29Å; L660-N662 PolarHBondContact O-N 2.9Å; L660-L663 HydrophobicContact CB-CB 3.93Å; L660-L663 HydrophobicContact CB-CD2 4.36Å; L660-L663 HydrophobicContact CD1-CD2 4.05Å; L660-L663 VanDerWaalsContact O-CB 3.31Å; L660-L663 WeakPolarHBondContact O-CB 3.25Å; L660-L663 PolarHBondContact O-N 3.49Å; L660-L663 VanDerWaalsContact O-N 3.13Å; L660-P685 HydrophobicContact CB-CG 4.39Å
661	R	94.3	Very high	95.8	Very high	162 Å²	162	43.1 Å²	43.1	61%	0.611	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.3	-161	-64.7	178.1	176.8	174.8	-8	114.8	S629 D630 K659 N687	S629-R661 PolarHBondContact O-N 2.85Å; S629-R661 VanDerWaalsContact O-N 3.15Å; D630-R661 IonicContact OD1-CZ 3.02Å; D630-R661 IonicContact OD1-NE 2.71Å; D630-R661 IonicContact OD1-NH1 3.02Å; D630-R661 PolarHBondContact OD1-NH1 3.25Å; K659-R661 VanDerWaalsContact C-N 3.3Å; K659-R661 PolarHBondContact O-N 3.24Å; K659-R661 VanDerWaalsContact O-N 3.15Å; R661-N687 PolarHBondContact O-ND2 3.4Å
662	N	96.3	Very high	96.1	Very high	75 Å²	75	40.9 Å²	40.9	40%	0.401	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12	-178.3	-77.9	-24.7	0	0	0	113.5	D630 L632 L660 K664	D630-N662 PolarHBondContact O-ND2 3.08Å; L632-N662 CarbonylContact O-C 3.43Å; L660-N662 VanDerWaalsContact C-N 3.29Å; L660-N662 PolarHBondContact O-N 2.9Å; N662-K664 PolarHBondContact O-N 2.81Å
663	L	97.9	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.			trans	-69	122.5	-177	-162.6	76	0	0	0	110.9	L632 L635 L660 L666 P685 N687 L688	L632-L663 HydrophobicContact CD2-CD1 4.03Å; L632-L663 HydrophobicContact CG-CD1 4Å; L632-L663 VanDerWaalsContact O-CA 3.31Å; L632-L663 WeakPolarHBondContact O-CA 3.33Å; L632-L663 PolarHBondContact O-N 3.5Å; L632-L663 VanDerWaalsContact O-N 3.14Å; L635-L663 HydrophobicContact CB-CD1 3.73Å; L635-L663 HydrophobicContact CB-CD2 4.32Å; L660-L663 HydrophobicContact CB-CB 3.93Å; L660-L663 HydrophobicContact CB-CD2 4.36Å; L660-L663 HydrophobicContact CD1-CD2 4.05Å; L660-L663 VanDerWaalsContact O-CB 3.31Å; L660-L663 WeakPolarHBondContact O-CB 3.25Å; L660-L663 PolarHBondContact O-N 3.49Å; L660-L663 VanDerWaalsContact O-N 3.13Å; L663-L666 HydrophobicContact CD2-CB 4.01Å; L663-L666 HydrophobicContact CD2-CD1 4.24Å; L663-P685 HydrophobicContact CB-CB 4.21Å; L663-P685 HydrophobicContact CB-CG 4.03Å; L663-P685 HydrophobicContact CD2-CG 3.92Å; L663-N687 CarbonylContact O-C 3.55Å; L663-L688 HydrophobicContact CD2-CD1 4.26Å; L663-L688 HydrophobicContact CG-CD1 4.42Å; L663-L688 WeakPolarHBondContact O-CA 3.32Å; L663-L688 PolarHBondContact O-N 3.02Å
664	K	97.9	Very high	96.3	Very high	97 Å²	97	42.7 Å²	42.7	42%	0.422	19%	0.193	S	C	.	.			trans	-104.1	-41.2	178.1	-65.9	174.1	-172.9	161.9	0	111.6	E633 N662 L688 T689 E690	E633-K664 WeakPolarHBondContact O-CA 3.33Å; E633-K664 PolarHBondContact O-N 2.93Å; E633-K664 IonicContact OE2-NZ 2.89Å; E633-K664 PolarHBondContact OE2-NZ 3.12Å; N662-K664 PolarHBondContact O-N 2.81Å; K664-L688 WeakPolarHBondContact O-CD1 3.17Å; K664-T689 PolarHBondContact O-N 2.87Å; K664-T689 PolarHBondContact O-OG1 3.42Å; K664-T689 VanDerWaalsContact O-OG1 3.06Å; K664-E690 PolarHBondContact O-N 3.2Å
665	L	98.4	Very high	96.3	Very high	27 Å²	27	44 Å²	44	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.3	-179.7	-169.4	161.5	0	0	0	110.8	E633 K634 L635 D667 E690	E633-L665 PolarHBondContact O-N 3.19Å; K634-L665 WeakPolarHBondContact CA-O 3.35Å; K634-L665 HydrophobicContact CB-CB 4.34Å; K634-L665 HydrophobicContact CD-CD1 4.3Å; K634-L665 HydrophobicContact CD-CD2 4.46Å; K634-L665 HydrophobicContact CG-CB 4.16Å; K634-L665 HydrophobicContact CG-CD2 4.03Å; K634-L665 HydrophobicContact CG-CG 4.45Å; L635-L665 PolarHBondContact N-O 3.48Å; L665-D667 HydrophobicContact CD2-CB 4.16Å; L665-E690 WeakPolarHBondContact CA-O 3.49Å; L665-E690 HydrophobicContact CB-CB 4.19Å; L665-E690 HydrophobicContact CD1-CB 4.33Å; L665-E690 WeakPolarHBondContact CD1-OE2 3.38Å; L665-E690 HydrophobicContact CG-CB 3.9Å
666	L	98.4	Very high	96.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.5	171.1	179.4	60.9	0	0	0	110.2	L635 F657 L663 I668 L684 L688 E690 L691 H692	L635-L666 HydrophobicContact CB-CD1 4.18Å; L635-L666 HydrophobicContact CD2-CD1 3.93Å; L635-L666 HydrophobicContact CG-CD1 4.1Å; F657-L666 HydrophobicContact CD2-CD2 4.16Å; L663-L666 HydrophobicContact CD2-CB 4.01Å; L663-L666 HydrophobicContact CD2-CD1 4.24Å; L666-I668 HydrophobicContact CD1-CG2 3.91Å; L666-I668 HydrophobicContact CD2-CG2 4.21Å; L666-I668 HydrophobicContact CG-CG2 3.9Å; L666-L684 HydrophobicContact CD2-CD2 3.71Å; L666-L688 HydrophobicContact CB-CD1 3.62Å; L666-L688 HydrophobicContact CB-CD2 4.41Å; L666-E690 PolarHBondContact N-O 3.36Å; L666-L691 HydrophobicContact CB-CD1 4.25Å; L666-L691 HydrophobicContact CD2-CD1 4.16Å; L666-L691 HydrophobicContact CG-CD1 4.27Å; L666-H692 PolarHBondContact O-N 3.1Å
667	D	98.4	Very high	96.1	Very high	18 Å²	18	42.3 Å²	42.3	10%	0.096	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.6	172.7	-173.6	-5.7	0	0	0	110.8	L635 E636 F637 R638 L665 S669 H692	L635-D667 PolarHBondContact O-N 2.85Å; E636-D667 HydrophobicContact CB-CB 4.5Å; E636-D667 HydrophobicContact CG-CB 4.35Å; F637-D667 CarbonylContact C-O 3.22Å; F637-D667 WeakPolarHBondContact CA-O 3.31Å; F637-D667 PolarHBondContact N-O 2.54Å; R638-D667 PolarHBondContact N-O 2.72Å; L665-D667 HydrophobicContact CD2-CB 4.16Å; D667-S669 WeakPolarHBondContact OD1-CB 3.42Å; D667-S669 PolarHBondContact OD1-N 3.05Å; D667-S669 PolarHBondContact OD1-OG 3.09Å; D667-H692 HydrophobicContact CB-CB 4.2Å
668	I	97.8	Very high	95.9	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	22%	0.221	C	C	.	.			trans	-111.3	29.3	175.6	54.7	169.7	0	0	0	111.4	F637 L642 W646 F657 L666 N671 L673 L691 H692 I693 N696	F637-I668 HydrophobicContact CB-CG2 4.39Å; L642-I668 HydrophobicContact CD1-CB 3.8Å; L642-I668 HydrophobicContact CD1-CG2 3.47Å; L642-I668 VanDerWaalsContact CD1-CG2 3.47Å; W646-I668 HydrophobicContact CH2-CD1 4.19Å; W646-I668 HydrophobicContact CZ3-CD1 4.15Å; F657-I668 HydrophobicContact CE2-CG2 4.47Å; L666-I668 HydrophobicContact CD1-CG2 3.91Å; L666-I668 HydrophobicContact CD2-CG2 4.21Å; L666-I668 HydrophobicContact CG-CG2 3.9Å; I668-N671 PolarHBondContact O-ND2 3.27Å; I668-L673 HydrophobicContact CD1-CD1 4.16Å; I668-L691 HydrophobicContact CD1-CD1 4.23Å; I668-L691 HydrophobicContact CG1-CD1 4.24Å; I668-H692 WeakPolarHBondContact CG1-O 3.03Å; I668-H692 PolarHBondContact N-O 3.28Å; I668-I693 HydrophobicContact CD1-CD1 4.13Å; I668-I693 HydrophobicContact CD1-CG1 3.97Å; I668-I693 HydrophobicContact CD1-CG2 4.24Å; I668-I693 HydrophobicContact CG1-CB 4.39Å; I668-I693 HydrophobicContact CG1-CG1 3.94Å; I668-I693 HydrophobicContact CG1-CG2 4.24Å; I668-N696 PolarHBondContact O-ND2 2.6Å; I668-N696 VanDerWaalsContact O-ND2 3.09Å
669	S	97.7	Very high	95.7	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.063	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	151.5	178.3	-58.7	0	0	0	0	112.7	R638 G639 D667 N671 H692 K694	R638-S669 CarbonylContact C-O 3.6Å; R638-S669 WeakPolarHBondContact CA-O 3.42Å; R638-S669 VanDerWaalsContact CB-O 3.31Å; R638-S669 WeakPolarHBondContact CB-O 3.48Å; G639-S669 PolarHBondContact N-O 3.12Å; D667-S669 WeakPolarHBondContact OD1-CB 3.42Å; D667-S669 PolarHBondContact OD1-N 3.05Å; D667-S669 PolarHBondContact OD1-OG 3.09Å; S669-N671 VanDerWaalsContact C-N 3.26Å; S669-N671 PolarHBondContact O-N 3.47Å; S669-N671 PolarHBondContact O-ND2 3.06Å; S669-H692 PolarHBondContact N-O 3.04Å; S669-K694 CarbonylContact C-O 3.5Å; S669-K694 WeakPolarHBondContact CA-O 3.19Å; S669-K694 WeakPolarHBondContact CB-O 3.07Å; S669-K694 WeakPolarHBondContact OG-CB 3.2Å; S669-K694 PolarHBondContact OG-N 3.42Å; S669-K694 VanDerWaalsContact OG-N 3.12Å
670	S	97	Very high	95.6	Very high	42 Å²	42	47.9 Å²	47.9	29%	0.294	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	35.2	175.7	-51.5	0	0	0	0	114.7	G639 K694 K695 N696	G639-S670 VanDerWaalsContact CA-O 3.22Å; G639-S670 WeakPolarHBondContact CA-O 3.47Å; G639-S670 PolarHBondContact N-O 2.9Å; S670-K694 PolarHBondContact N-O 2.9Å; S670-K695 WeakPolarHBondContact CA-O 3.34Å; S670-N696 PolarHBondContact N-ND2 2.95Å
671	N	97.6	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-95.9	15.2	177.1	-89.8	-82.6	0	0	0	113.5	F637 N640 R641 L642 D643 I668 S669 L673 N696	F637-N671 PolarHBondContact O-ND2 3.33Å; N640-N671 WeakPolarHBondContact CA-OD1 3.22Å; N640-N671 VanDerWaalsContact CB-OD1 3.23Å; N640-N671 WeakPolarHBondContact CB-OD1 3.47Å; N640-N671 PolarHBondContact N-OD1 3.43Å; N640-N671 WeakPolarHBondContact O-CA 3.36Å; N640-N671 PolarHBondContact O-OD1 3.17Å; R641-N671 PolarHBondContact N-OD1 3.04Å; L642-N671 HydrophobicContact CB-CB 4.01Å; L642-N671 HydrophobicContact CD1-CB 4.29Å; L642-N671 HydrophobicContact CG-CB 4.41Å; L642-N671 WeakPolarHBondContact CG-OD1 3.39Å; L642-N671 PolarHBondContact N-OD1 3.46Å; D643-N671 PolarHBondContact N-O 2.95Å; I668-N671 PolarHBondContact O-ND2 3.27Å; S669-N671 VanDerWaalsContact C-N 3.26Å; S669-N671 PolarHBondContact O-N 3.47Å; S669-N671 PolarHBondContact O-ND2 3.06Å; N671-L673 HydrophobicContact CB-CD1 4.24Å; N671-L673 HydrophobicContact CB-CG 3.99Å; N671-L673 PolarHBondContact O-N 3.18Å; N671-N696 WeakPolarHBondContact CA-OD1 3.17Å; N671-N696 PolarHBondContact N-OD1 2.77Å
672	N	96.1	Very high	95.3	Very high	52 Å²	52	42.7 Å²	42.7	28%	0.278	20%	0.203	S	C	.	.			trans	56.3	19.7	-177.3	-65.9	-36.5	0	0	0	115.1	D643 R674 N696	D643-N672 HydrophobicContact CB-CB 4.32Å; N672-R674 PolarHBondContact O-N 3.29Å; N672-N696 PolarHBondContact N-OD1 2.71Å; N672-N696 VanDerWaalsContact N-OD1 3.12Å
673	L	95.9	Very high	95.2	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	19%	0.185	C	C	.	.			trans	-63	123.7	-178.1	-64.4	170.2	0	0	0	110.4	L642 W646 I668 N671 I693 N696 K697 L698	L642-L673 HydrophobicContact CB-CD2 3.91Å; W646-L673 HydrophobicContact CE3-CD1 4.48Å; W646-L673 HydrophobicContact CE3-CD2 3.81Å; W646-L673 HydrophobicContact CZ3-CD1 4.13Å; W646-L673 HydrophobicContact CZ3-CD2 4.28Å; I668-L673 HydrophobicContact CD1-CD1 4.16Å; N671-L673 HydrophobicContact CB-CD1 4.24Å; N671-L673 HydrophobicContact CB-CG 3.99Å; N671-L673 PolarHBondContact O-N 3.18Å; L673-I693 HydrophobicContact CD1-CG2 4.1Å; L673-N696 HydrophobicContact CB-CB 4.18Å; L673-N696 PolarHBondContact N-OD1 3.09Å; L673-K697 CarbonylContact O-C 3.26Å; L673-K697 VanDerWaalsContact O-CA 3.26Å; L673-K697 WeakPolarHBondContact O-CA 3.25Å; L673-K697 PolarHBondContact O-N 3.06Å; L673-L698 HydrophobicContact CB-CD2 3.97Å; L673-L698 PolarHBondContact O-N 2.72Å
674	R	94.1	Very high	95.1	Very high	179 Å²	179	39.5 Å²	39.5	68%	0.675	19%	0.187	S	C	*	.	S	Bend	trans	-88.9	-30.9	174.4	-64	-173.6	-177.8	-159.1	1.8	112.5	N672 K697 L698 Y699	N672-R674 PolarHBondContact O-N 3.29Å; R674-K697 WeakPolarHBondContact CA-O 3.42Å; R674-K697 HydrophobicContact CG-CB 4.42Å; R674-L698 WeakPolarHBondContact O-CA 3.23Å; R674-Y699 HydrophobicContact CB-CE1 4.11Å; R674-Y699 WeakPolarHBondContact O-CD1 3.48Å; R674-Y699 WeakPolarHBondContact O-CE1 3.41Å; R674-Y699 PolarHBondContact O-N 2.89Å
675	S	91.9	Very high	95	Very high	35 Å²	35	35 Å²	35	25%	0.245	17%	0.167	C	C	.	.			trans	-150.4	161.8	174.2	55.8	0	0	0	0	108.7
676	V	92.9	Very high	94.6	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	19%	0.186	C	C	.	.			trans	-113.4	118.7	166.9	-176.5	0	0	0	0	107	V680 F681 L698	V676-V680 HydrophobicContact CG1-CB 4.09Å; V676-V680 HydrophobicContact CG1-CG1 4.11Å; V676-F681 HydrophobicContact CB-CE2 4.05Å; V676-F681 HydrophobicContact CB-CZ 4.15Å; V676-F681 HydrophobicContact CG1-CD2 4.21Å; V676-F681 HydrophobicContact CG1-CE2 3.59Å; V676-F681 HydrophobicContact CG1-CZ 3.83Å; V676-L698 HydrophobicContact CG2-CD2 4.02Å
677	R	90.8	Very high	94.4	Very high	38 Å²	38	42.1 Å²	42.1	14%	0.143	21%	0.205	C	C	.	.			trans	-66.3	150.3	179.7	-74.7	-169.9	-72.8	147.5	-4.6	111	W646 R647 D650 E679 V680 F681	W646-R677 PolarHBondContact O-NE 2.99Å; W646-R677 VanDerWaalsContact O-NE 3.13Å; W646-R677 PolarHBondContact O-NH2 2.86Å; R647-R677 PolarHBondContact O-NH2 3.4Å; D650-R677 PolarHBondContact O-NH1 3.11Å; D650-R677 PolarHBondContact O-NH2 2.86Å; R677-E679 VanDerWaalsContact C-N 3.28Å; R677-E679 WeakPolarHBondContact CB-OE2 3.32Å; R677-E679 PolarHBondContact O-N 3.49Å; R677-V680 HydrophobicContact CB-CG2 4.09Å; R677-V680 WeakPolarHBondContact O-CB 3.42Å; R677-V680 PolarHBondContact O-N 2.86Å; R677-V680 VanDerWaalsContact O-N 3.16Å; R677-F681 WeakPolarHBondContact O-CD2 3.37Å
678	R	92.1	Very high	94.4	Very high	153 Å²	153	41.3 Å²	41.3	58%	0.577	20%	0.201	S	C	*	.	H	α-helix	trans	-62.4	-39.8	-174.3	-66.5	-177.6	-176.5	178.7	2.6	111.5	V680 F681 A702 E705	R678-V680 PolarHBondContact O-N 2.82Å; R678-F681 WeakPolarHBondContact O-CB 3.41Å; R678-F681 PolarHBondContact O-N 2.92Å; R678-F681 VanDerWaalsContact O-N 3.16Å; R678-A702 HydrophobicContact CG-CB 4.27Å; R678-E705 HydrophobicContact CB-CG 4.06Å; R678-E705 WeakPolarHBondContact CD-OE1 3.5Å; R678-E705 HydrophobicContact CG-CG 3.97Å; R678-E705 IonicContact NE-OE1 3.8Å
679	E	91.1	Very high	94.4	Very high	100 Å²	100	42.9 Å²	42.9	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-30.6	-179.4	-55.5	77.7	-169.2	0	0	111.6	I654 R677 F681 S682 G683	I654-E679 HydrophobicContact CD1-CB 3.9Å; I654-E679 VanDerWaalsContact CG2-C 3.48Å; I654-E679 HydrophobicContact CG2-CB 3.86Å; I654-E679 VanDerWaalsContact CG2-O 3.25Å; I654-E679 WeakPolarHBondContact CG2-O 3.3Å; R677-E679 VanDerWaalsContact C-N 3.28Å; R677-E679 WeakPolarHBondContact CB-OE2 3.32Å; R677-E679 PolarHBondContact O-N 3.49Å; E679-F681 PolarHBondContact O-N 2.96Å; E679-S682 PolarHBondContact O-N 3.01Å; E679-S682 VanDerWaalsContact O-N 3.14Å; E679-S682 PolarHBondContact O-OG 2.96Å; E679-G683 PolarHBondContact O-N 2.85Å
680	V	93.4	Very high	94.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-33.3	178.9	177	0	0	0	0	111.5	W646 V676 R677 R678 S682 G683 L684	W646-V680 HydrophobicContact CD2-CG1 4.13Å; W646-V680 HydrophobicContact CD2-CG2 4.18Å; W646-V680 HydrophobicContact CE3-CG1 4.13Å; W646-V680 HydrophobicContact CG-CG2 4.27Å; W646-V680 HydrophobicContact CH2-CG1 3.64Å; W646-V680 HydrophobicContact CZ2-CG1 3.62Å; W646-V680 HydrophobicContact CZ3-CG1 3.91Å; V676-V680 HydrophobicContact CG1-CB 4.09Å; V676-V680 HydrophobicContact CG1-CG1 4.11Å; R677-V680 HydrophobicContact CB-CG2 4.09Å; R677-V680 WeakPolarHBondContact O-CB 3.42Å; R677-V680 PolarHBondContact O-N 2.86Å; R677-V680 VanDerWaalsContact O-N 3.16Å; R678-V680 PolarHBondContact O-N 2.82Å; V680-S682 VanDerWaalsContact C-N 3.31Å; V680-S682 PolarHBondContact O-N 2.99Å; V680-G683 CarbonylContact O-C 3.47Å; V680-G683 WeakPolarHBondContact O-CA 3.18Å; V680-G683 PolarHBondContact O-N 3.4Å; V680-L684 PolarHBondContact O-N 3.4Å
681	F	94	Very high	94.4	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-35.8	177.6	-67.8	-89.9	0	0	0	112.3	V676 R677 R678 E679 G683 L684 F701 A702 E705 L706 L708 L709	V676-F681 HydrophobicContact CB-CE2 4.05Å; V676-F681 HydrophobicContact CB-CZ 4.15Å; V676-F681 HydrophobicContact CG1-CD2 4.21Å; V676-F681 HydrophobicContact CG1-CE2 3.59Å; V676-F681 HydrophobicContact CG1-CZ 3.83Å; R677-F681 WeakPolarHBondContact O-CD2 3.37Å; R678-F681 WeakPolarHBondContact O-CB 3.41Å; R678-F681 PolarHBondContact O-N 2.92Å; R678-F681 VanDerWaalsContact O-N 3.16Å; E679-F681 PolarHBondContact O-N 2.96Å; F681-G683 VanDerWaalsContact C-N 3.26Å; F681-G683 PolarHBondContact O-N 3.02Å; F681-L684 HydrophobicContact CD1-CD1 4.41Å; F681-L684 PolarHBondContact O-N 2.94Å; F681-F701 HydrophobicContact CE1-CE2 4.09Å; F681-F701 AromaticContact CE1-CZ 3.76Å; F681-F701 HydrophobicContact CE1-CZ 3.76Å; F681-F701 HydrophobicContact CZ-CD2 4.44Å; F681-F701 HydrophobicContact CZ-CE1 4.48Å; F681-F701 AromaticContact CZ-CE2 3.76Å; F681-F701 HydrophobicContact CZ-CE2 3.76Å; F681-F701 AromaticContact CZ-CZ 3.79Å; F681-F701 HydrophobicContact CZ-CZ 3.79Å; F681-A702 HydrophobicContact CE2-CB 4.13Å; F681-E705 HydrophobicContact CB-CB 3.77Å; F681-E705 HydrophobicContact CD1-CB 3.97Å; F681-E705 HydrophobicContact CD2-CB 3.5Å; F681-E705 VanDerWaalsContact CD2-CB 3.5Å; F681-E705 HydrophobicContact CD2-CG 3.89Å; F681-E705 HydrophobicContact CE1-CB 4.44Å; F681-E705 HydrophobicContact CE2-CB 4.02Å; F681-E705 HydrophobicContact CE2-CG 4.29Å; F681-E705 HydrophobicContact CG-CB 3.47Å; F681-E705 VanDerWaalsContact CG-CB 3.47Å; F681-E705 HydrophobicContact CG-CG 4.33Å; F681-E705 HydrophobicContact CZ-CB 4.46Å; F681-L706 HydrophobicContact CE1-CD2 4.3Å; F681-L708 HydrophobicContact CB-CD1 3.93Å; F681-L709 HydrophobicContact CD1-CD1 4.25Å
682	S	92.3	Very high	94.5	Very high	49 Å²	49	45.4 Å²	45.4	34%	0.343	22%	0.217	S	C	.	.	H	α-helix	trans	-68.4	-26.5	172.5	69.1	0	0	0	0	113.2	K658 E679 V680	K658-S682 WeakPolarHBondContact CE-O 3.39Å; K658-S682 PolarHBondContact NZ-O 2.78Å; E679-S682 PolarHBondContact O-N 3.01Å; E679-S682 VanDerWaalsContact O-N 3.14Å; E679-S682 PolarHBondContact O-OG 2.96Å; V680-S682 VanDerWaalsContact C-N 3.31Å; V680-S682 PolarHBondContact O-N 2.99Å
683	G	93.3	Very high	94.5	Very high	1 Å²	1	43 Å²	43	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.8	176.4	0	0	0	0	0	115.4	I654 K658 E679 V680 F681	I654-G683 WeakPolarHBondContact O-CA 3.17Å; K658-G683 VanDerWaalsContact CA-O 3.31Å; K658-G683 WeakPolarHBondContact CA-O 3.42Å; K658-G683 WeakPolarHBondContact CB-O 3.18Å; K658-G683 PolarHBondContact N-O 2.81Å; E679-G683 PolarHBondContact O-N 2.85Å; V680-G683 CarbonylContact O-C 3.47Å; V680-G683 WeakPolarHBondContact O-CA 3.18Å; V680-G683 PolarHBondContact O-N 3.4Å; F681-G683 VanDerWaalsContact C-N 3.26Å; F681-G683 PolarHBondContact O-N 3.02Å
684	L	95.9	Very high	94.5	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-81	154.3	173.3	-69.4	176.3	0	0	0	111.7	F657 K658 L666 V680 F681 L691 L709	F657-L684 HydrophobicContact CD2-CD2 4.47Å; K658-L684 WeakPolarHBondContact CD-O 3.31Å; K658-L684 PolarHBondContact NZ-O 3.32Å; L666-L684 HydrophobicContact CD2-CD2 3.71Å; V680-L684 PolarHBondContact O-N 3.4Å; F681-L684 HydrophobicContact CD1-CD1 4.41Å; F681-L684 PolarHBondContact O-N 2.94Å; L684-L691 HydrophobicContact CD1-CD2 4.2Å; L684-L709 HydrophobicContact CB-CD2 3.8Å; L684-L709 HydrophobicContact CD1-CD1 3.99Å; L684-L709 HydrophobicContact CD1-CD2 4.06Å
685	P	95.2	Very high	94.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.013	22%	0.215	C	C	.	.			trans	-62.2	141.8	176.8	-23.9	34.9	0	0	0	113.5	F657 L660 L663 N687 L688	F657-P685 HydrophobicContact CB-CG 4.45Å; F657-P685 WeakPolarHBondContact O-CG 3.3Å; L660-P685 HydrophobicContact CB-CG 4.39Å; L663-P685 HydrophobicContact CB-CB 4.21Å; L663-P685 HydrophobicContact CB-CG 4.03Å; L663-P685 HydrophobicContact CD2-CG 3.92Å; P685-N687 VanDerWaalsContact C-N 3.35Å; P685-N687 PolarHBondContact O-N 3.03Å; P685-L688 WeakPolarHBondContact O-CB 3.01Å; P685-L688 PolarHBondContact O-N 2.84Å
686	D	91.3	Very high	94.9	Very high	99 Å²	99	42.9 Å²	42.9	53%	0.529	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-26.1	-176.1	-55.4	-45.2	0	0	0	113.2	K658 L688 S711	K658-D686 IonicContact NZ-OD1 3.96Å; K658-D686 PolarHBondContact NZ-OD1 2.92Å; K658-D686 IonicContact NZ-OD2 2.77Å; D686-L688 VanDerWaalsContact C-N 3.29Å; D686-L688 PolarHBondContact O-N 3.32Å; D686-S711 PolarHBondContact O-OG 2.96Å
687	N	94.1	Very high	95.1	Very high	78 Å²	78	47 Å²	47	42%	0.417	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.1	179.6	-73.7	-14.8	0	0	0	113.7	R661 L663 P685 T689	R661-N687 PolarHBondContact O-ND2 3.4Å; L663-N687 CarbonylContact O-C 3.55Å; P685-N687 VanDerWaalsContact C-N 3.35Å; P685-N687 PolarHBondContact O-N 3.03Å; N687-T689 PolarHBondContact O-N 3.02Å
688	L	97.1	Very high	95.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.214	C	C	.	.			trans	-66.5	121.7	-175.2	-167.4	73	0	0	0	111.2	L663 K664 L666 P685 D686 L691 S711 L712	L663-L688 HydrophobicContact CD2-CD1 4.26Å; L663-L688 HydrophobicContact CG-CD1 4.42Å; L663-L688 WeakPolarHBondContact O-CA 3.32Å; L663-L688 PolarHBondContact O-N 3.02Å; K664-L688 WeakPolarHBondContact O-CD1 3.17Å; L666-L688 HydrophobicContact CB-CD1 3.62Å; L666-L688 HydrophobicContact CB-CD2 4.41Å; P685-L688 WeakPolarHBondContact O-CB 3.01Å; P685-L688 PolarHBondContact O-N 2.84Å; D686-L688 VanDerWaalsContact C-N 3.29Å; D686-L688 PolarHBondContact O-N 3.32Å; L688-L691 HydrophobicContact CD2-CB 4.07Å; L688-L691 HydrophobicContact CD2-CD1 4.22Å; L688-L691 HydrophobicContact CD2-CD2 4.43Å; L688-L691 HydrophobicContact CD2-CG 4.46Å; L688-S711 CarbonylContact O-C 3.58Å; L688-S711 VanDerWaalsContact O-C 3.26Å; L688-L712 WeakPolarHBondContact O-CA 3.2Å; L688-L712 PolarHBondContact O-N 3.39Å
689	T	97.6	Very high	95.5	Very high	35 Å²	35	44.6 Å²	44.6	22%	0.215	21%	0.213	C	C	.	.			trans	-105.4	-29.4	179.6	60.1	0	0	0	0	112.9	K664 N687 S711 K713 V714	K664-T689 PolarHBondContact O-N 2.87Å; K664-T689 PolarHBondContact O-OG1 3.42Å; K664-T689 VanDerWaalsContact O-OG1 3.06Å; N687-T689 PolarHBondContact O-N 3.02Å; T689-S711 WeakPolarHBondContact CA-O 3.12Å; T689-K713 WeakPolarHBondContact O-CA 3.39Å; T689-K713 PolarHBondContact O-N 3.47Å; T689-V714 PolarHBondContact O-N 2.72Å
690	E	98.4	Very high	95.6	Very high	67 Å²	67	44.7 Å²	44.7	31%	0.313	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.1	-178.1	-56.4	-168.1	-162.1	0	0	110.5	K664 L665 L666 H692 V714	K664-E690 PolarHBondContact O-N 3.2Å; L665-E690 WeakPolarHBondContact CA-O 3.49Å; L665-E690 HydrophobicContact CB-CB 4.19Å; L665-E690 HydrophobicContact CD1-CB 4.33Å; L665-E690 WeakPolarHBondContact CD1-OE2 3.38Å; L665-E690 HydrophobicContact CG-CB 3.9Å; L666-E690 PolarHBondContact N-O 3.36Å; E690-H692 IonicContact OE2-CE1 3.82Å; E690-H692 IonicContact OE2-NE2 3.59Å; E690-V714 WeakPolarHBondContact CA-O 3.35Å; E690-V714 HydrophobicContact CB-CB 4.17Å; E690-V714 HydrophobicContact CG-CB 3.86Å; E690-V714 HydrophobicContact CG-CG2 3.87Å
691	L	98.2	Very high	95.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116	177.9	-179.9	57	0	0	0	110	L666 I668 L684 L688 I693 L709 L712 V714 L715 D716	L666-L691 HydrophobicContact CB-CD1 4.25Å; L666-L691 HydrophobicContact CD2-CD1 4.16Å; L666-L691 HydrophobicContact CG-CD1 4.27Å; I668-L691 HydrophobicContact CD1-CD1 4.23Å; I668-L691 HydrophobicContact CG1-CD1 4.24Å; L684-L691 HydrophobicContact CD1-CD2 4.2Å; L688-L691 HydrophobicContact CD2-CB 4.07Å; L688-L691 HydrophobicContact CD2-CD1 4.22Å; L688-L691 HydrophobicContact CD2-CD2 4.43Å; L688-L691 HydrophobicContact CD2-CG 4.46Å; L691-I693 HydrophobicContact CD1-CD1 4.36Å; L691-I693 HydrophobicContact CD1-CG1 4.11Å; L691-I693 HydrophobicContact CD2-CD1 3.96Å; L691-I693 HydrophobicContact CD2-CG1 4.42Å; L691-I693 HydrophobicContact CG-CD1 4.01Å; L691-I693 HydrophobicContact CG-CG1 3.9Å; L691-L709 HydrophobicContact CD2-CD1 4.14Å; L691-L712 HydrophobicContact CB-CD1 3.71Å; L691-V714 PolarHBondContact N-O 3.45Å; L691-L715 HydrophobicContact CB-CD1 4.25Å; L691-L715 HydrophobicContact CD2-CD1 4.27Å; L691-L715 HydrophobicContact CG-CD1 4.27Å; L691-L715 WeakPolarHBondContact O-CA 3.47Å; L691-D716 PolarHBondContact O-N 2.99Å
692	H	98.3	Very high	95.7	Very high	37 Å²	37	45 Å²	45	17%	0.171	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.6	177.7	-56.7	164.4	0	0	0	110.2	L666 D667 I668 S669 E690 D716	L666-H692 PolarHBondContact O-N 3.1Å; D667-H692 HydrophobicContact CB-CB 4.2Å; I668-H692 WeakPolarHBondContact CG1-O 3.03Å; I668-H692 PolarHBondContact N-O 3.28Å; S669-H692 PolarHBondContact N-O 3.04Å; E690-H692 IonicContact OE2-CE1 3.82Å; E690-H692 IonicContact OE2-NE2 3.59Å; H692-D716 HydrophobicContact CB-CB 4.36Å
693	I	97.4	Very high	95.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	20%	0.202	C	C	.	.			trans	-126	36.8	178.3	-36.5	-176.5	0	0	0	109.4	I668 L673 L691 N696 L698 F701 D716 L717 N720	I668-I693 HydrophobicContact CD1-CD1 4.13Å; I668-I693 HydrophobicContact CD1-CG1 3.97Å; I668-I693 HydrophobicContact CD1-CG2 4.24Å; I668-I693 HydrophobicContact CG1-CB 4.39Å; I668-I693 HydrophobicContact CG1-CG1 3.94Å; I668-I693 HydrophobicContact CG1-CG2 4.24Å; L673-I693 HydrophobicContact CD1-CG2 4.1Å; L691-I693 HydrophobicContact CD1-CD1 4.36Å; L691-I693 HydrophobicContact CD1-CG1 4.11Å; L691-I693 HydrophobicContact CD2-CD1 3.96Å; L691-I693 HydrophobicContact CD2-CG1 4.42Å; L691-I693 HydrophobicContact CG-CD1 4.01Å; L691-I693 HydrophobicContact CG-CG1 3.9Å; I693-N696 HydrophobicContact CG2-CB 4.38Å; I693-N696 VanDerWaalsContact CG2-ND2 3.3Å; I693-N696 WeakPolarHBondContact CG2-ND2 3.34Å; I693-N696 PolarHBondContact O-ND2 3.37Å; I693-L698 HydrophobicContact CB-CD1 4.45Å; I693-L698 HydrophobicContact CG2-CD1 3.76Å; I693-F701 HydrophobicContact CD1-CE2 4.03Å; I693-D716 PolarHBondContact N-O 2.97Å; I693-L717 HydrophobicContact CB-CD2 3.94Å; I693-L717 HydrophobicContact CD1-CD2 4.1Å; I693-L717 HydrophobicContact CG1-CD2 4.26Å; I693-N720 PolarHBondContact O-ND2 3.5Å
694	K	96.1	Very high	95.8	Very high	75 Å²	75	45.4 Å²	45.4	33%	0.326	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	151.1	-174.8	167.1	174.4	-167.3	164.8	0	112.2	S669 S670 N696 S718	S669-K694 CarbonylContact C-O 3.5Å; S669-K694 WeakPolarHBondContact CA-O 3.19Å; S669-K694 WeakPolarHBondContact CB-O 3.07Å; S669-K694 WeakPolarHBondContact OG-CB 3.2Å; S669-K694 PolarHBondContact OG-N 3.42Å; S669-K694 VanDerWaalsContact OG-N 3.12Å; S670-K694 PolarHBondContact N-O 2.9Å; K694-N696 PolarHBondContact O-N 3.1Å; K694-N696 VanDerWaalsContact O-N 3.15Å; K694-N696 PolarHBondContact O-ND2 3.48Å; K694-S718 CarbonylContact C-O 3.34Å; K694-S718 VanDerWaalsContact CA-O 3.22Å; K694-S718 WeakPolarHBondContact CA-O 3.25Å; K694-S718 VanDerWaalsContact CD-OG 3.29Å; K694-S718 WeakPolarHBondContact CD-OG 3.39Å; K694-S718 WeakPolarHBondContact CG-O 3.4Å; K694-S718 WeakPolarHBondContact CG-OG 3.38Å
695	K	96.1	Very high	95.7	Very high	135 Å²	135	47.4 Å²	47.4	59%	0.587	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.9	173.6	-72.3	178.7	174.8	-167.9	0	112.7	S670 S718 G719	S670-K695 WeakPolarHBondContact CA-O 3.34Å; K695-S718 PolarHBondContact N-O 2.91Å; K695-G719 VanDerWaalsContact CA-O 3.26Å; K695-G719 WeakPolarHBondContact CA-O 3.2Å
696	N	97.4	Very high	95.7	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	23%	0.229	C	C	.	.	S	Bend	trans	-94.2	-164.7	168	-83.3	-70.7	0	0	0	108.9	I668 S670 N671 N672 L673 I693 K694 L698 N720	I668-N696 PolarHBondContact O-ND2 2.6Å; I668-N696 VanDerWaalsContact O-ND2 3.09Å; S670-N696 PolarHBondContact N-ND2 2.95Å; N671-N696 WeakPolarHBondContact CA-OD1 3.17Å; N671-N696 PolarHBondContact N-OD1 2.77Å; N672-N696 PolarHBondContact N-OD1 2.71Å; N672-N696 VanDerWaalsContact N-OD1 3.12Å; L673-N696 HydrophobicContact CB-CB 4.18Å; L673-N696 PolarHBondContact N-OD1 3.09Å; I693-N696 HydrophobicContact CG2-CB 4.38Å; I693-N696 VanDerWaalsContact CG2-ND2 3.3Å; I693-N696 WeakPolarHBondContact CG2-ND2 3.34Å; I693-N696 PolarHBondContact O-ND2 3.37Å; K694-N696 PolarHBondContact O-N 3.1Å; K694-N696 VanDerWaalsContact O-N 3.15Å; K694-N696 PolarHBondContact O-ND2 3.48Å; N696-L698 HydrophobicContact CB-CG 4.17Å; N696-N720 VanDerWaalsContact CA-OD1 3.31Å; N696-N720 WeakPolarHBondContact CA-OD1 3.47Å; N696-N720 WeakPolarHBondContact CB-OD1 3.43Å; N696-N720 PolarHBondContact N-OD1 3.43Å; N696-N720 PolarHBondContact O-OD1 2.92Å
697	K	96.5	Very high	95.8	Very high	97 Å²	97	48.6 Å²	48.6	42%	0.422	23%	0.232	S	C	.	.			trans	-118.3	32.5	179.1	-56.1	-173.9	-180	177.7	0	111	L673 R674 Y699 N720 Y721	L673-K697 CarbonylContact O-C 3.26Å; L673-K697 VanDerWaalsContact O-CA 3.26Å; L673-K697 WeakPolarHBondContact O-CA 3.25Å; L673-K697 PolarHBondContact O-N 3.06Å; R674-K697 WeakPolarHBondContact CA-O 3.42Å; R674-K697 HydrophobicContact CG-CB 4.42Å; K697-Y699 PolarHBondContact O-N 3.45Å; K697-N720 PolarHBondContact N-OD1 2.94Å; K697-Y721 HydrophobicContact CB-CD2 4.16Å; K697-Y721 HydrophobicContact CB-CE2 3.99Å; K697-Y721 HydrophobicContact CG-CE2 4.09Å
698	L	96.6	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.			trans	-68.9	116	-174.8	-61.1	177.3	0	0	0	110.8	L673 R674 V676 I693 N696 F701 L717 N720 Y721 L722	L673-L698 HydrophobicContact CB-CD2 3.97Å; L673-L698 PolarHBondContact O-N 2.72Å; R674-L698 WeakPolarHBondContact O-CA 3.23Å; V676-L698 HydrophobicContact CG2-CD2 4.02Å; I693-L698 HydrophobicContact CB-CD1 4.45Å; I693-L698 HydrophobicContact CG2-CD1 3.76Å; N696-L698 HydrophobicContact CB-CG 4.17Å; L698-F701 HydrophobicContact CD1-CD2 4.36Å; L698-L717 HydrophobicContact CD1-CD2 4Å; L698-N720 HydrophobicContact CB-CB 4.14Å; L698-N720 WeakPolarHBondContact CB-OD1 3.41Å; L698-N720 WeakPolarHBondContact CG-OD1 3.47Å; L698-N720 PolarHBondContact N-OD1 3.4Å; L698-N720 VanDerWaalsContact N-OD1 3.08Å; L698-Y721 CarbonylContact O-C 3.05Å; L698-Y721 VanDerWaalsContact O-CA 3.26Å; L698-Y721 WeakPolarHBondContact O-CA 3.5Å; L698-Y721 PolarHBondContact O-N 2.99Å; L698-L722 HydrophobicContact CB-CD2 4.07Å; L698-L722 PolarHBondContact O-N 3.35Å
699	Y	94.4	Very high	95.6	Very high	141 Å²	141	48.6 Å²	48.6	55%	0.553	23%	0.231	S	C	*	.	S	Bend	trans	-94.1	-22.7	170	61.9	-91	0	0	0	112.2	R674 K697	R674-Y699 HydrophobicContact CB-CE1 4.11Å; R674-Y699 WeakPolarHBondContact O-CD1 3.48Å; R674-Y699 WeakPolarHBondContact O-CE1 3.41Å; R674-Y699 PolarHBondContact O-N 2.89Å; K697-Y699 PolarHBondContact O-N 3.45Å
700	F	92.8	Very high	95.4	Very high	102 Å²	102	56.8 Å²	56.8	45%	0.447	26%	0.259	S	S	.	.			trans	-137	144.3	178.9	174.3	-98.4	0	0	0	110.4	A702	F700-A702 HydrophobicContact CE1-CB 4.04Å; F700-A702 HydrophobicContact CZ-CB 4.47Å
701	F	94.9	Very high	95.2	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.013	26%	0.259	C	S	.	.			trans	-134.6	129.3	175.1	-172.9	-99.5	0	0	0	109.9	F681 I693 L698 W703 L706 L715 L717 L722	F681-F701 HydrophobicContact CE1-CE2 4.09Å; F681-F701 AromaticContact CE1-CZ 3.76Å; F681-F701 HydrophobicContact CE1-CZ 3.76Å; F681-F701 HydrophobicContact CZ-CD2 4.44Å; F681-F701 HydrophobicContact CZ-CE1 4.48Å; F681-F701 AromaticContact CZ-CE2 3.76Å; F681-F701 HydrophobicContact CZ-CE2 3.76Å; F681-F701 AromaticContact CZ-CZ 3.79Å; F681-F701 HydrophobicContact CZ-CZ 3.79Å; I693-F701 HydrophobicContact CD1-CE2 4.03Å; L698-F701 HydrophobicContact CD1-CD2 4.36Å; F701-W703 VanDerWaalsContact C-N 3.31Å; F701-W703 AromaticContact CD1-CD2 3.63Å; F701-W703 HydrophobicContact CD1-CD2 3.63Å; F701-W703 AromaticContact CD1-CE2 3.82Å; F701-W703 AromaticContact CD1-CE3 3.92Å; F701-W703 HydrophobicContact CD1-CE3 3.92Å; F701-W703 AromaticContact CD1-CG 3.97Å; F701-W703 HydrophobicContact CD1-CG 3.97Å; F701-W703 HydrophobicContact CD1-CZ2 4.28Å; F701-W703 HydrophobicContact CD1-CZ3 4.36Å; F701-W703 HydrophobicContact CE1-CD2 4.21Å; F701-W703 HydrophobicContact CE1-CE3 4.07Å; F701-W703 HydrophobicContact CE1-CZ3 4.46Å; F701-W703 PolarHBondContact O-N 3.29Å; F701-L706 HydrophobicContact CE1-CD1 4.11Å; F701-L706 HydrophobicContact CE1-CD2 4.03Å; F701-L706 HydrophobicContact CE1-CG 4.08Å; F701-L706 HydrophobicContact CZ-CD2 4Å; F701-L715 HydrophobicContact CE1-CD2 4.32Å; F701-L715 HydrophobicContact CZ-CD2 4.4Å; F701-L717 HydrophobicContact CD1-CD1 4.22Å; F701-L717 HydrophobicContact CD2-CD1 4.43Å; F701-L717 HydrophobicContact CD2-CD2 4.03Å; F701-L717 HydrophobicContact CE1-CD1 4.3Å; F701-L717 HydrophobicContact CE2-CD2 4Å; F701-L717 HydrophobicContact CG-CD1 4.28Å; F701-L717 HydrophobicContact CZ-CD1 4.44Å; F701-L722 HydrophobicContact CB-CD2 3.91Å
702	A	94.8	Very high	95.2	Very high	8 Å²	8	55.8 Å²	55.8	7%	0.066	26%	0.259	C	S	.	.			trans	-81.6	73.2	-176.2	0	0	0	0	0	111.3	R678 F681 F700 G704 E705	R678-A702 HydrophobicContact CG-CB 4.27Å; F681-A702 HydrophobicContact CE2-CB 4.13Å; F700-A702 HydrophobicContact CE1-CB 4.04Å; F700-A702 HydrophobicContact CZ-CB 4.47Å; A702-G704 PolarHBondContact O-N 3.21Å; A702-G704 VanDerWaalsContact O-N 3.09Å; A702-E705 HydrophobicContact CB-CG 3.81Å; A702-E705 WeakPolarHBondContact O-CB 3.48Å; A702-E705 PolarHBondContact O-N 2.98Å
703	W	94.4	Very high	95.2	Very high	20 Å²	20	58.5 Å²	58.5	8%	0.076	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-52.8	-34.3	-174.1	-62.1	95.6	0	0	0	115.2	F701 E705 L706 L715 L717 P726 C732 L739 L741	F701-W703 VanDerWaalsContact C-N 3.31Å; F701-W703 AromaticContact CD1-CD2 3.63Å; F701-W703 HydrophobicContact CD1-CD2 3.63Å; F701-W703 AromaticContact CD1-CE2 3.82Å; F701-W703 AromaticContact CD1-CE3 3.92Å; F701-W703 HydrophobicContact CD1-CE3 3.92Å; F701-W703 AromaticContact CD1-CG 3.97Å; F701-W703 HydrophobicContact CD1-CG 3.97Å; F701-W703 HydrophobicContact CD1-CZ2 4.28Å; F701-W703 HydrophobicContact CD1-CZ3 4.36Å; F701-W703 HydrophobicContact CE1-CD2 4.21Å; F701-W703 HydrophobicContact CE1-CE3 4.07Å; F701-W703 HydrophobicContact CE1-CZ3 4.46Å; F701-W703 PolarHBondContact O-N 3.29Å; W703-E705 PolarHBondContact O-N 2.88Å; W703-L706 HydrophobicContact CE3-CD1 3.91Å; W703-L706 HydrophobicContact CZ3-CD1 4.44Å; W703-L706 WeakPolarHBondContact O-CB 3.45Å; W703-L706 WeakPolarHBondContact O-CG 3.47Å; W703-L706 PolarHBondContact O-N 3.44Å; W703-L706 VanDerWaalsContact O-N 3.15Å; W703-L715 HydrophobicContact CZ3-CD2 4.22Å; W703-L717 HydrophobicContact CH2-CD1 3.78Å; W703-L717 HydrophobicContact CZ2-CD1 4.28Å; W703-L717 HydrophobicContact CZ3-CD1 4.28Å; W703-P726 HydrophobicContact CB-CB 3.72Å; W703-P726 HydrophobicContact CB-CG 4.32Å; W703-P726 HydrophobicContact CD2-CB 4.03Å; W703-P726 VanDerWaalsContact CD2-CD 3.47Å; W703-P726 HydrophobicContact CD2-CG 3.77Å; W703-P726 HydrophobicContact CE3-CB 4.45Å; W703-P726 HydrophobicContact CE3-CG 3.81Å; W703-P726 HydrophobicContact CG-CB 3.69Å; W703-P726 HydrophobicContact CG-CG 4Å; W703-P726 HydrophobicContact CZ3-CG 4.38Å; W703-C732 HydrophobicContact CB-CB 4.49Å; W703-C732 VanDerWaalsContact O-CB 3.24Å; W703-C732 WeakPolarHBondContact O-CB 3.33Å; W703-C732 PolarHBondContact O-SG 3.05Å; W703-L739 HydrophobicContact CH2-CD1 4.34Å; W703-L739 HydrophobicContact CZ3-CD1 4.29Å; W703-L741 HydrophobicContact CH2-CD1 4.29Å; W703-L741 HydrophobicContact CH2-CD2 4.04Å; W703-L741 HydrophobicContact CZ2-CD2 4.37Å
704	G	93.8	Very high	95.2	Very high	39 Å²	39	59.5 Å²	59.5	40%	0.402	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.4	-27	179	0	0	0	0	0	113.9	A702 L706 Q707	A702-G704 PolarHBondContact O-N 3.21Å; A702-G704 VanDerWaalsContact O-N 3.09Å; G704-L706 PolarHBondContact O-N 2.94Å; G704-Q707 WeakPolarHBondContact O-CG 3.48Å; G704-Q707 PolarHBondContact O-N 3.49Å
705	E	94.9	Very high	95.3	Very high	48 Å²	48	55.9 Å²	55.9	22%	0.224	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-75	-10.2	179.9	-52.5	-57.6	151.9	0	0	112.8	R678 F681 A702 W703 Q707 L708	R678-E705 HydrophobicContact CB-CG 4.06Å; R678-E705 WeakPolarHBondContact CD-OE1 3.5Å; R678-E705 HydrophobicContact CG-CG 3.97Å; R678-E705 IonicContact NE-OE1 3.8Å; F681-E705 HydrophobicContact CB-CB 3.77Å; F681-E705 HydrophobicContact CD1-CB 3.97Å; F681-E705 HydrophobicContact CD2-CB 3.5Å; F681-E705 VanDerWaalsContact CD2-CB 3.5Å; F681-E705 HydrophobicContact CD2-CG 3.89Å; F681-E705 HydrophobicContact CE1-CB 4.44Å; F681-E705 HydrophobicContact CE2-CB 4.02Å; F681-E705 HydrophobicContact CE2-CG 4.29Å; F681-E705 HydrophobicContact CG-CB 3.47Å; F681-E705 VanDerWaalsContact CG-CB 3.47Å; F681-E705 HydrophobicContact CG-CG 4.33Å; F681-E705 HydrophobicContact CZ-CB 4.46Å; A702-E705 HydrophobicContact CB-CG 3.81Å; A702-E705 WeakPolarHBondContact O-CB 3.48Å; A702-E705 PolarHBondContact O-N 2.98Å; W703-E705 PolarHBondContact O-N 2.88Å; E705-Q707 PolarHBondContact O-N 3.41Å; E705-L708 WeakPolarHBondContact O-CB 3.42Å; E705-L708 PolarHBondContact O-N 3.45Å; E705-L708 VanDerWaalsContact O-N 3.12Å
706	L	94.4	Very high	95.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.1	-18.1	173.1	-67.8	-179.5	0	0	0	112.8	F681 F701 W703 G704 L708 L709 L712 L715 C732 T733	F681-L706 HydrophobicContact CE1-CD2 4.3Å; F701-L706 HydrophobicContact CE1-CD1 4.11Å; F701-L706 HydrophobicContact CE1-CD2 4.03Å; F701-L706 HydrophobicContact CE1-CG 4.08Å; F701-L706 HydrophobicContact CZ-CD2 4Å; W703-L706 HydrophobicContact CE3-CD1 3.91Å; W703-L706 HydrophobicContact CZ3-CD1 4.44Å; W703-L706 WeakPolarHBondContact O-CB 3.45Å; W703-L706 WeakPolarHBondContact O-CG 3.47Å; W703-L706 PolarHBondContact O-N 3.44Å; W703-L706 VanDerWaalsContact O-N 3.15Å; G704-L706 PolarHBondContact O-N 2.94Å; L706-L708 PolarHBondContact O-N 3.29Å; L706-L709 HydrophobicContact CD2-CD1 4.11Å; L706-L709 PolarHBondContact O-N 3.01Å; L706-L712 HydrophobicContact CD2-CD2 3.97Å; L706-L715 HydrophobicContact CD1-CD2 3.98Å; L706-L715 HydrophobicContact CD2-CD2 4.33Å; L706-C732 CarbonylContact C-O 3.6Å; L706-C732 HydrophobicContact CB-CB 4.45Å; L706-C732 WeakPolarHBondContact CB-O 3.31Å; L706-T733 HydrophobicContact CD1-CG2 4.29Å
707	Q	93	Very high	95.4	Very high	125 Å²	125	50.5 Å²	50.5	58%	0.584	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-60.4	-25.8	174.3	-68.3	-179.4	-2.2	0	0	112.1	G704 E705 L709 N731 C732	G704-Q707 WeakPolarHBondContact O-CG 3.48Å; G704-Q707 PolarHBondContact O-N 3.49Å; E705-Q707 PolarHBondContact O-N 3.41Å; Q707-L709 VanDerWaalsContact C-N 3.31Å; Q707-N731 WeakPolarHBondContact CG-O 3.46Å; Q707-N731 PolarHBondContact NE2-O 3.31Å; Q707-C732 WeakPolarHBondContact CA-O 3.42Å; Q707-C732 WeakPolarHBondContact CG-O 3.44Å; Q707-C732 PolarHBondContact N-O 3.16Å
708	L	93.3	Very high	95.5	Very high	76 Å²	76	46 Å²	46	40%	0.398	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-71.6	-27.7	176	-58.9	174.5	0	0	0	111.6	F681 E705 L706 R710	F681-L708 HydrophobicContact CB-CD1 3.93Å; E705-L708 WeakPolarHBondContact O-CB 3.42Å; E705-L708 PolarHBondContact O-N 3.45Å; E705-L708 VanDerWaalsContact O-N 3.12Å; L706-L708 PolarHBondContact O-N 3.29Å; L708-R710 PolarHBondContact O-N 3Å
709	L	94.4	Very high	95.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	23%	0.226	C	C	.	.			trans	-95.4	67.8	-177.7	-56.2	179.2	0	0	0	111.3	F681 L684 L691 L706 Q707 S711 L712	F681-L709 HydrophobicContact CD1-CD1 4.25Å; L684-L709 HydrophobicContact CB-CD2 3.8Å; L684-L709 HydrophobicContact CD1-CD1 3.99Å; L684-L709 HydrophobicContact CD1-CD2 4.06Å; L691-L709 HydrophobicContact CD2-CD1 4.14Å; L706-L709 HydrophobicContact CD2-CD1 4.11Å; L706-L709 PolarHBondContact O-N 3.01Å; Q707-L709 VanDerWaalsContact C-N 3.31Å; L709-S711 PolarHBondContact O-N 2.95Å; L709-S711 VanDerWaalsContact O-N 3.13Å; L709-L712 HydrophobicContact CB-CB 4.01Å; L709-L712 HydrophobicContact CB-CD2 4.47Å; L709-L712 HydrophobicContact CD1-CD2 4.16Å; L709-L712 WeakPolarHBondContact O-CB 3.39Å; L709-L712 PolarHBondContact O-N 3.35Å; L709-L712 VanDerWaalsContact O-N 3.15Å
710	R	92.4	Very high	95.7	Very high	208 Å²	208	40.1 Å²	40.1	79%	0.785	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.6	-170.8	-61	-179.1	-176.2	178.4	1.7	114.3	L708 S735	L708-R710 PolarHBondContact O-N 3Å; R710-S735 VanDerWaalsContact O-CB 3.24Å; R710-S735 WeakPolarHBondContact O-CB 3.42Å; R710-S735 PolarHBondContact O-OG 2.91Å
711	S	95.6	Very high	95.9	Very high	46 Å²	46	41.3 Å²	41.3	32%	0.322	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.3	-176.6	-55.3	0	0	0	0	114.1	D686 L688 T689 L709 K713	D686-S711 PolarHBondContact O-OG 2.96Å; L688-S711 CarbonylContact O-C 3.58Å; L688-S711 VanDerWaalsContact O-C 3.26Å; T689-S711 WeakPolarHBondContact CA-O 3.12Å; L709-S711 PolarHBondContact O-N 2.95Å; L709-S711 VanDerWaalsContact O-N 3.13Å; S711-K713 PolarHBondContact O-N 2.99Å
712	L	97.3	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.			trans	-70.9	117.9	-170.6	-169.4	73.2	0	0	0	112.3	L688 L691 L706 L709 L715 S735 L736	L688-L712 WeakPolarHBondContact O-CA 3.2Å; L688-L712 PolarHBondContact O-N 3.39Å; L691-L712 HydrophobicContact CB-CD1 3.71Å; L706-L712 HydrophobicContact CD2-CD2 3.97Å; L709-L712 HydrophobicContact CB-CB 4.01Å; L709-L712 HydrophobicContact CB-CD2 4.47Å; L709-L712 HydrophobicContact CD1-CD2 4.16Å; L709-L712 WeakPolarHBondContact O-CB 3.39Å; L709-L712 PolarHBondContact O-N 3.35Å; L709-L712 VanDerWaalsContact O-N 3.15Å; L712-L715 HydrophobicContact CD2-CB 4.32Å; L712-S735 CarbonylContact O-C 3.57Å; L712-S735 VanDerWaalsContact O-C 3.23Å; L712-S735 PolarHBondContact O-OG 2.97Å; L712-S735 VanDerWaalsContact O-OG 3.09Å; L712-L736 HydrophobicContact CD2-CD1 4.24Å; L712-L736 HydrophobicContact CG-CD1 4.2Å; L712-L736 WeakPolarHBondContact O-CA 3.41Å; L712-L736 PolarHBondContact O-N 2.98Å
713	K	97.6	Very high	96	Very high	95 Å²	95	44.4 Å²	44.4	41%	0.413	22%	0.221	S	C	.	.			trans	-105.9	-35.3	179.7	-65.4	-177.5	169.2	-133.4	0	113.1	T689 S711 L736 E737 K738	T689-K713 WeakPolarHBondContact O-CA 3.39Å; T689-K713 PolarHBondContact O-N 3.47Å; S711-K713 PolarHBondContact O-N 2.99Å; K713-L736 WeakPolarHBondContact O-CD1 3.46Å; K713-E737 HydrophobicContact CB-CG 4.39Å; K713-E737 WeakPolarHBondContact CD-OE1 3.49Å; K713-E737 WeakPolarHBondContact CE-OE1 3.47Å; K713-E737 HydrophobicContact CG-CG 4.46Å; K713-E737 IonicContact NZ-OE1 3.49Å; K713-E737 PolarHBondContact NZ-OE1 2.9Å; K713-E737 PolarHBondContact O-N 3.09Å; K713-K738 PolarHBondContact O-N 3.01Å
714	V	98.3	Very high	95.9	Very high	22 Å²	22	46.3 Å²	46.3	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.9	-177.2	-174	0	0	0	0	109.9	T689 E690 L691 K738	T689-V714 PolarHBondContact O-N 2.72Å; E690-V714 WeakPolarHBondContact CA-O 3.35Å; E690-V714 HydrophobicContact CB-CB 4.17Å; E690-V714 HydrophobicContact CG-CB 3.86Å; E690-V714 HydrophobicContact CG-CG2 3.87Å; L691-V714 PolarHBondContact N-O 3.45Å; V714-K738 WeakPolarHBondContact CA-O 3.45Å; V714-K738 HydrophobicContact CB-CB 4.5Å; V714-K738 HydrophobicContact CG1-CB 4.23Å; V714-K738 HydrophobicContact CG1-CD 4.04Å; V714-K738 HydrophobicContact CG1-CG 4.16Å; V714-K738 HydrophobicContact CG2-CB 4.18Å
715	L	98.3	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.8	173.1	179.9	59.2	0	0	0	109.5	L691 F701 W703 L706 L712 L717 L736 K738 L739 V740	L691-L715 HydrophobicContact CB-CD1 4.25Å; L691-L715 HydrophobicContact CD2-CD1 4.27Å; L691-L715 HydrophobicContact CG-CD1 4.27Å; L691-L715 WeakPolarHBondContact O-CA 3.47Å; F701-L715 HydrophobicContact CE1-CD2 4.32Å; F701-L715 HydrophobicContact CZ-CD2 4.4Å; W703-L715 HydrophobicContact CZ3-CD2 4.22Å; L706-L715 HydrophobicContact CD1-CD2 3.98Å; L706-L715 HydrophobicContact CD2-CD2 4.33Å; L712-L715 HydrophobicContact CD2-CB 4.32Å; L715-L717 HydrophobicContact CD1-CD1 4.36Å; L715-L717 HydrophobicContact CD1-CD2 4.42Å; L715-L717 HydrophobicContact CD1-CG 4.09Å; L715-L717 HydrophobicContact CD2-CD1 3.85Å; L715-L717 HydrophobicContact CD2-CG 4.43Å; L715-L717 HydrophobicContact CG-CD1 4Å; L715-L717 HydrophobicContact CG-CG 4.03Å; L715-L736 HydrophobicContact CB-CD1 3.74Å; L715-L736 HydrophobicContact CB-CD2 4.47Å; L715-K738 PolarHBondContact N-O 2.93Å; L715-L739 HydrophobicContact CB-CD1 4.21Å; L715-L739 HydrophobicContact CD2-CD1 4.08Å; L715-L739 HydrophobicContact CG-CD1 4.21Å; L715-V740 PolarHBondContact O-N 2.96Å
716	D	98.3	Very high	96	Very high	26 Å²	26	42.8 Å²	42.8	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	110.4	174.8	-170.3	-14.9	0	0	0	110.6	L691 H692 I693 S718 V740	L691-D716 PolarHBondContact O-N 2.99Å; H692-D716 HydrophobicContact CB-CB 4.36Å; I693-D716 PolarHBondContact N-O 2.97Å; D716-S718 WeakPolarHBondContact OD1-CB 3.23Å; D716-S718 PolarHBondContact OD1-N 3.43Å; D716-S718 PolarHBondContact OD1-OG 3.48Å; D716-V740 HydrophobicContact CB-CB 4.3Å
717	L	97.9	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.25	C	S	.	.			trans	-114.2	21.5	176.4	-69.6	167.2	0	0	0	111.5	I693 L698 F701 W703 L715 N720 L722 V740 L741 N744	I693-L717 HydrophobicContact CB-CD2 3.94Å; I693-L717 HydrophobicContact CD1-CD2 4.1Å; I693-L717 HydrophobicContact CG1-CD2 4.26Å; L698-L717 HydrophobicContact CD1-CD2 4Å; F701-L717 HydrophobicContact CD1-CD1 4.22Å; F701-L717 HydrophobicContact CD2-CD1 4.43Å; F701-L717 HydrophobicContact CD2-CD2 4.03Å; F701-L717 HydrophobicContact CE1-CD1 4.3Å; F701-L717 HydrophobicContact CE2-CD2 4Å; F701-L717 HydrophobicContact CG-CD1 4.28Å; F701-L717 HydrophobicContact CZ-CD1 4.44Å; W703-L717 HydrophobicContact CH2-CD1 3.78Å; W703-L717 HydrophobicContact CZ2-CD1 4.28Å; W703-L717 HydrophobicContact CZ3-CD1 4.28Å; L715-L717 HydrophobicContact CD1-CD1 4.36Å; L715-L717 HydrophobicContact CD1-CD2 4.42Å; L715-L717 HydrophobicContact CD1-CG 4.09Å; L715-L717 HydrophobicContact CD2-CD1 3.85Å; L715-L717 HydrophobicContact CD2-CG 4.43Å; L715-L717 HydrophobicContact CG-CD1 4Å; L715-L717 HydrophobicContact CG-CG 4.03Å; L717-N720 PolarHBondContact O-ND2 3.24Å; L717-L722 HydrophobicContact CB-CD1 4.07Å; L717-L722 HydrophobicContact CD1-CD1 4.1Å; L717-V740 PolarHBondContact N-O 2.95Å; L717-L741 HydrophobicContact CB-CD2 3.9Å; L717-L741 HydrophobicContact CD1-CD2 4.14Å; L717-N744 PolarHBondContact O-ND2 3.13Å
718	S	97.5	Very high	96	Very high	2 Å²	2	48 Å²	48	1%	0.014	23%	0.229	C	C	.	.			trans	-66.5	149.8	-175.1	60.3	0	0	0	0	114.1	K694 K695 D716 H742	K694-S718 CarbonylContact C-O 3.34Å; K694-S718 VanDerWaalsContact CA-O 3.22Å; K694-S718 WeakPolarHBondContact CA-O 3.25Å; K694-S718 VanDerWaalsContact CD-OG 3.29Å; K694-S718 WeakPolarHBondContact CD-OG 3.39Å; K694-S718 WeakPolarHBondContact CG-O 3.4Å; K694-S718 WeakPolarHBondContact CG-OG 3.38Å; K695-S718 PolarHBondContact N-O 2.91Å; D716-S718 WeakPolarHBondContact OD1-CB 3.23Å; D716-S718 PolarHBondContact OD1-N 3.43Å; D716-S718 PolarHBondContact OD1-OG 3.48Å; S718-H742 CarbonylContact C-O 3.4Å; S718-H742 WeakPolarHBondContact CA-O 3.36Å; S718-H742 VanDerWaalsContact CB-O 3.28Å; S718-H742 WeakPolarHBondContact CB-O 3.46Å
719	G	96.9	Very high	96.1	Very high	16 Å²	16	44.5 Å²	44.5	17%	0.165	21%	0.21	C	C	.	.	S	Bend	trans	66.1	37.8	178.8	0	0	0	0	0	113.5	K695 H742 D743	K695-G719 VanDerWaalsContact CA-O 3.26Å; K695-G719 WeakPolarHBondContact CA-O 3.2Å; G719-H742 PolarHBondContact N-O 2.96Å; G719-D743 CarbonylContact C-O 3.32Å; G719-D743 WeakPolarHBondContact CA-O 3.47Å; G719-D743 PolarHBondContact N-O 2.85Å; G719-D743 VanDerWaalsContact N-O 3.12Å
720	N	98.1	Very high	96.1	Very high	3 Å²	3	45 Å²	45	2%	0.016	21%	0.214	C	C	.	.	S	Bend	trans	-112.8	-172.1	174.7	-81	-74	0	0	0	110.2	I693 N696 K697 L698 L717 L722 D743 N744	I693-N720 PolarHBondContact O-ND2 3.5Å; N696-N720 VanDerWaalsContact CA-OD1 3.31Å; N696-N720 WeakPolarHBondContact CA-OD1 3.47Å; N696-N720 WeakPolarHBondContact CB-OD1 3.43Å; N696-N720 PolarHBondContact N-OD1 3.43Å; N696-N720 PolarHBondContact O-OD1 2.92Å; K697-N720 PolarHBondContact N-OD1 2.94Å; L698-N720 HydrophobicContact CB-CB 4.14Å; L698-N720 WeakPolarHBondContact CB-OD1 3.41Å; L698-N720 WeakPolarHBondContact CG-OD1 3.47Å; L698-N720 PolarHBondContact N-OD1 3.4Å; L698-N720 VanDerWaalsContact N-OD1 3.08Å; L717-N720 PolarHBondContact O-ND2 3.24Å; N720-L722 HydrophobicContact CB-CG 4.25Å; N720-D743 PolarHBondContact N-O 3.05Å; N720-N744 WeakPolarHBondContact CA-OD1 3.46Å; N720-N744 WeakPolarHBondContact CB-OD1 3.49Å; N720-N744 PolarHBondContact O-OD1 3.28Å
721	Y	97.2	Very high	96.1	Very high	126 Å²	126	40.1 Å²	40.1	49%	0.494	20%	0.204	S	C	.	.			trans	-111.6	28	179.2	-57.8	-76.4	0	0	0	112.2	K697 L698 T723	K697-Y721 HydrophobicContact CB-CD2 4.16Å; K697-Y721 HydrophobicContact CB-CE2 3.99Å; K697-Y721 HydrophobicContact CG-CE2 4.09Å; L698-Y721 CarbonylContact O-C 3.05Å; L698-Y721 VanDerWaalsContact O-CA 3.26Å; L698-Y721 WeakPolarHBondContact O-CA 3.5Å; L698-Y721 PolarHBondContact O-N 2.99Å; Y721-T723 PolarHBondContact O-N 2.88Å
722	L	96.9	Very high	96.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.192	C	C	.	.			trans	-66.2	132.9	-177.6	-60.4	174.6	0	0	0	110.4	L698 F701 L717 N720 L741 N744 K745 I746	L698-L722 HydrophobicContact CB-CD2 4.07Å; L698-L722 PolarHBondContact O-N 3.35Å; F701-L722 HydrophobicContact CB-CD2 3.91Å; L717-L722 HydrophobicContact CB-CD1 4.07Å; L717-L722 HydrophobicContact CD1-CD1 4.1Å; N720-L722 HydrophobicContact CB-CG 4.25Å; L722-L741 HydrophobicContact CD1-CD2 3.97Å; L722-N744 HydrophobicContact CB-CB 4.39Å; L722-N744 VanDerWaalsContact CB-OD1 3.3Å; L722-N744 WeakPolarHBondContact CB-OD1 3.24Å; L722-N744 WeakPolarHBondContact CG-OD1 3.43Å; L722-N744 PolarHBondContact N-OD1 2.82Å; L722-K745 CarbonylContact O-C 3.2Å; L722-K745 VanDerWaalsContact O-CA 3.29Å; L722-K745 WeakPolarHBondContact O-CA 3.46Å; L722-K745 PolarHBondContact O-N 2.95Å; L722-I746 PolarHBondContact O-N 3.4Å; L722-I746 VanDerWaalsContact O-N 3.16Å
723	T	94.8	Very high	95.9	Very high	74 Å²	74	39 Å²	39	45%	0.454	20%	0.195	S	C	.	.			trans	-103.2	-16.1	-178.4	55.5	0	0	0	0	113.7	Y721 K745 I746 L747	Y721-T723 PolarHBondContact O-N 2.88Å; T723-K745 HydrophobicContact CG2-CB 4.38Å; T723-I746 WeakPolarHBondContact O-CA 3.32Å; T723-L747 PolarHBondContact O-N 3.33Å
724	S	93	Very high	95.6	Very high	60 Å²	60	39.8 Å²	39.8	42%	0.42	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-145.5	152.7	-175.1	62.9	0	0	0	0	113.4
725	V	95.4	Very high	95.5	Very high	7 Å²	7	40 Å²	40	4%	0.042	21%	0.21	C	C	.	.			trans	-98	165.3	172.2	-63.2	0	0	0	0	110.7	L741 I746 L749 T750 F753	V725-L741 HydrophobicContact CG1-CD1 4.1Å; V725-I746 HydrophobicContact CG1-CD1 3.89Å; V725-I746 HydrophobicContact CG1-CG2 4.14Å; V725-L749 HydrophobicContact CG1-CD2 3.93Å; V725-L749 HydrophobicContact CG2-CB 4.37Å; V725-L749 HydrophobicContact CG2-CD2 3.91Å; V725-T750 HydrophobicContact CG2-CG2 4.27Å; V725-F753 HydrophobicContact CB-CD2 3.98Å; V725-F753 HydrophobicContact CB-CE2 3.88Å; V725-F753 HydrophobicContact CB-CG 4.47Å; V725-F753 HydrophobicContact CB-CZ 4.23Å; V725-F753 HydrophobicContact CG1-CE2 4.45Å; V725-F753 HydrophobicContact CG1-CZ 4.33Å; V725-F753 HydrophobicContact CG2-CD1 4.44Å; V725-F753 HydrophobicContact CG2-CD2 3.94Å; V725-F753 HydrophobicContact CG2-CE2 4.33Å; V725-F753 HydrophobicContact CG2-CG 4.03Å
726	P	95.4	Very high	95.4	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.045	21%	0.212	C	C	.	.			trans	-64.7	158.6	178.5	25.1	-31.7	0	0	0	112	W703 L729 T750 F753	W703-P726 HydrophobicContact CB-CB 3.72Å; W703-P726 HydrophobicContact CB-CG 4.32Å; W703-P726 HydrophobicContact CD2-CB 4.03Å; W703-P726 VanDerWaalsContact CD2-CD 3.47Å; W703-P726 HydrophobicContact CD2-CG 3.77Å; W703-P726 HydrophobicContact CE3-CB 4.45Å; W703-P726 HydrophobicContact CE3-CG 3.81Å; W703-P726 HydrophobicContact CG-CB 3.69Å; W703-P726 HydrophobicContact CG-CG 4Å; W703-P726 HydrophobicContact CZ3-CG 4.38Å; P726-L729 HydrophobicContact CG-CB 4.33Å; P726-L729 HydrophobicContact CG-CD1 3.92Å; P726-T750 PolarHBondContact O-OG1 2.82Å; P726-F753 HydrophobicContact CG-CD2 4.03Å; P726-F753 HydrophobicContact CG-CE2 3.8Å
727	R	93.1	Very high	95.3	Very high	214 Å²	214	41.4 Å²	41.4	81%	0.808	22%	0.216	S	C	*	.	S	Bend	trans	-61.7	-45.3	176.1	-71.7	-174.2	-179	177.7	0.7	112.3	T750 N752 F753	R727-T750 PolarHBondContact O-OG1 3.3Å; R727-N752 CarbonylContact O-C 3.33Å; R727-F753 PolarHBondContact O-N 3.19Å
728	V	95.2	Very high	95.3	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.127	23%	0.233	C	C	.	.			trans	-143	116.4	178.1	-177.6	0	0	0	0	107.2	S730 N731 N752 Q755	V728-S730 WeakPolarHBondContact CG1-OG 3.26Å; V728-N731 HydrophobicContact CB-CB 4.18Å; V728-N731 HydrophobicContact CG1-CB 4.27Å; V728-N752 WeakPolarHBondContact CA-O 3.37Å; V728-N752 HydrophobicContact CG2-CB 3.75Å; V728-Q755 HydrophobicContact CG1-CB 4.36Å
729	L	95.1	Very high	95.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-36.2	-176.2	-177.3	64.2	0	0	0	112.1	P726 N731 C732 T733 L739 F753 L754 A757 L760	P726-L729 HydrophobicContact CG-CB 4.33Å; P726-L729 HydrophobicContact CG-CD1 3.92Å; L729-N731 VanDerWaalsContact C-N 3.27Å; L729-N731 PolarHBondContact O-N 3.23Å; L729-C732 WeakPolarHBondContact O-CA 3.31Å; L729-C732 WeakPolarHBondContact O-CB 3.45Å; L729-C732 PolarHBondContact O-N 3.34Å; L729-T733 HydrophobicContact CD1-CG2 4.03Å; L729-T733 HydrophobicContact CG-CG2 4.38Å; L729-T733 PolarHBondContact O-N 3.39Å; L729-L739 HydrophobicContact CD2-CD2 4.21Å; L729-F753 HydrophobicContact CB-CD2 4.28Å; L729-F753 HydrophobicContact CB-CE2 4.09Å; L729-F753 WeakPolarHBondContact CB-O 3.44Å; L729-F753 HydrophobicContact CD2-CE2 4.29Å; L729-F753 HydrophobicContact CD2-CZ 4.49Å; L729-F753 PolarHBondContact N-O 3.47Å; L729-L754 HydrophobicContact CD2-CD2 4.08Å; L729-A757 HydrophobicContact CD2-CB 4.35Å; L729-L760 HydrophobicContact CD2-CD2 4.06Å
730	S	93.6	Very high	95.4	Very high	14 Å²	14	45 Å²	45	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-33.9	178.5	60	0	0	0	0	112.8	V728 C732 T733 Q755	V728-S730 WeakPolarHBondContact CG1-OG 3.26Å; S730-C732 PolarHBondContact O-N 3.14Å; S730-T733 WeakPolarHBondContact CA-O 3.24Å; S730-Q755 VanDerWaalsContact CB-O 3.25Å; S730-Q755 WeakPolarHBondContact CB-O 3.44Å; S730-Q755 PolarHBondContact OG-O 3.16Å
731	N	93.8	Very high	95.3	Very high	106 Å²	106	44.9 Å²	44.9	57%	0.567	23%	0.227	S	C	*	.	H	α-helix	trans	-66.1	-25.6	172	-71.2	1.1	0	0	0	111.9	Q707 V728 L729	Q707-N731 WeakPolarHBondContact CG-O 3.46Å; Q707-N731 PolarHBondContact NE2-O 3.31Å; V728-N731 HydrophobicContact CB-CB 4.18Å; V728-N731 HydrophobicContact CG1-CB 4.27Å; L729-N731 VanDerWaalsContact C-N 3.27Å; L729-N731 PolarHBondContact O-N 3.23Å
732	C	94.1	Very high	95.3	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.081	22%	0.216	C	C	.	.	H	α-helix	trans	-87.6	-40.7	178.8	-62.8	0	0	0	0	111.8	W703 L706 Q707 L729 S730	W703-C732 HydrophobicContact CB-CB 4.49Å; W703-C732 VanDerWaalsContact O-CB 3.24Å; W703-C732 WeakPolarHBondContact O-CB 3.33Å; W703-C732 PolarHBondContact O-SG 3.05Å; L706-C732 CarbonylContact C-O 3.6Å; L706-C732 HydrophobicContact CB-CB 4.45Å; L706-C732 WeakPolarHBondContact CB-O 3.31Å; Q707-C732 WeakPolarHBondContact CA-O 3.42Å; Q707-C732 WeakPolarHBondContact CG-O 3.44Å; Q707-C732 PolarHBondContact N-O 3.16Å; L729-C732 WeakPolarHBondContact O-CA 3.31Å; L729-C732 WeakPolarHBondContact O-CB 3.45Å; L729-C732 PolarHBondContact O-N 3.34Å; S730-C732 PolarHBondContact O-N 3.14Å
733	T	93.9	Very high	95.3	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	23%	0.233	C	C	.	.			trans	-157.3	141.2	-178	175.1	0	0	0	0	111	L706 L729 S730 S735 L736	L706-T733 HydrophobicContact CD1-CG2 4.29Å; L729-T733 HydrophobicContact CD1-CG2 4.03Å; L729-T733 HydrophobicContact CG-CG2 4.38Å; L729-T733 PolarHBondContact O-N 3.39Å; S730-T733 WeakPolarHBondContact CA-O 3.24Å; T733-S735 PolarHBondContact OG1-N 2.67Å; T733-L736 HydrophobicContact CG2-CB 3.67Å; T733-L736 HydrophobicContact CG2-CD2 4.1Å; T733-L736 HydrophobicContact CG2-CG 4.45Å
734	T	91.4	Very high	95.4	Very high	110 Å²	110	41 Å²	41	68%	0.675	21%	0.211	S	C	*	.	S	Bend	trans	-108.2	-12.4	177.5	54.6	0	0	0	0	113.2	S759	T734-S759 WeakPolarHBondContact O-CB 3.27Å; T734-S759 PolarHBondContact O-OG 2.81Å
735	S	94.9	Very high	95.6	Very high	26 Å²	26	42.2 Å²	42.2	18%	0.182	21%	0.208	C	C	.	.	S	Bend	trans	-98.8	-12.4	-174.9	44.6	0	0	0	0	114.5	R710 L712 T733 E737	R710-S735 VanDerWaalsContact O-CB 3.24Å; R710-S735 WeakPolarHBondContact O-CB 3.42Å; R710-S735 PolarHBondContact O-OG 2.91Å; L712-S735 CarbonylContact O-C 3.57Å; L712-S735 VanDerWaalsContact O-C 3.23Å; L712-S735 PolarHBondContact O-OG 2.97Å; L712-S735 VanDerWaalsContact O-OG 3.09Å; T733-S735 PolarHBondContact OG1-N 2.67Å; S735-E737 PolarHBondContact O-N 2.82Å
736	L	96.6	Very high	95.7	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.207	C	C	.	.			trans	-67	120	-173.1	-163.1	73.7	0	0	0	112.5	L712 K713 L715 T733 L739 S759 L760	L712-L736 HydrophobicContact CD2-CD1 4.24Å; L712-L736 HydrophobicContact CG-CD1 4.2Å; L712-L736 WeakPolarHBondContact O-CA 3.41Å; L712-L736 PolarHBondContact O-N 2.98Å; K713-L736 WeakPolarHBondContact O-CD1 3.46Å; L715-L736 HydrophobicContact CB-CD1 3.74Å; L715-L736 HydrophobicContact CB-CD2 4.47Å; T733-L736 HydrophobicContact CG2-CB 3.67Å; T733-L736 HydrophobicContact CG2-CD2 4.1Å; T733-L736 HydrophobicContact CG2-CG 4.45Å; L736-L739 HydrophobicContact CD2-CB 3.94Å; L736-L739 HydrophobicContact CD2-CD1 4.22Å; L736-L739 HydrophobicContact CD2-CD2 4.46Å; L736-L739 HydrophobicContact CD2-CG 4.43Å; L736-S759 CarbonylContact O-C 3.5Å; L736-L760 HydrophobicContact CD2-CD1 4.47Å; L736-L760 HydrophobicContact CG-CD1 4.48Å; L736-L760 WeakPolarHBondContact O-CA 3.32Å; L736-L760 PolarHBondContact O-N 3.01Å
737	E	96.9	Very high	95.6	Very high	52 Å²	52	45.7 Å²	45.7	24%	0.243	23%	0.226	C	C	.	.			trans	-99.6	-31.3	178.6	-59.6	-169.6	-140.7	0	0	112.2	K713 S735 S759 K761 Y762	K713-E737 HydrophobicContact CB-CG 4.39Å; K713-E737 WeakPolarHBondContact CD-OE1 3.49Å; K713-E737 WeakPolarHBondContact CE-OE1 3.47Å; K713-E737 HydrophobicContact CG-CG 4.46Å; K713-E737 IonicContact NZ-OE1 3.49Å; K713-E737 PolarHBondContact NZ-OE1 2.9Å; K713-E737 PolarHBondContact O-N 3.09Å; S735-E737 PolarHBondContact O-N 2.82Å; E737-S759 WeakPolarHBondContact CA-O 3.43Å; E737-K761 PolarHBondContact O-N 2.97Å; E737-K761 IonicContact OE2-NZ 3.17Å; E737-K761 PolarHBondContact OE2-NZ 3.14Å; E737-Y762 PolarHBondContact O-N 3.39Å; E737-Y762 VanDerWaalsContact O-N 3.09Å
738	K	97.7	Very high	95.5	Very high	81 Å²	81	43.2 Å²	43.2	35%	0.352	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.2	-176.1	178.5	171.6	-179.1	-171.9	0	111.7	K713 V714 L715 V740 Y762	K713-K738 PolarHBondContact O-N 3.01Å; V714-K738 WeakPolarHBondContact CA-O 3.45Å; V714-K738 HydrophobicContact CB-CB 4.5Å; V714-K738 HydrophobicContact CG1-CB 4.23Å; V714-K738 HydrophobicContact CG1-CD 4.04Å; V714-K738 HydrophobicContact CG1-CG 4.16Å; V714-K738 HydrophobicContact CG2-CB 4.18Å; L715-K738 PolarHBondContact N-O 2.93Å; K738-V740 HydrophobicContact CD-CG2 4.48Å; K738-V740 HydrophobicContact CG-CG2 4.1Å; K738-Y762 WeakPolarHBondContact CA-O 3.48Å; K738-Y762 HydrophobicContact CD-CD1 4.13Å; K738-Y762 HydrophobicContact CD-CG 4.32Å; K738-Y762 HydrophobicContact CG-CD1 3.61Å; K738-Y762 HydrophobicContact CG-CE1 4.36Å; K738-Y762 HydrophobicContact CG-CG 4.01Å
739	L	97.9	Very high	95.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.6	175	-179.9	57.2	0	0	0	110.6	W703 L715 L729 L736 L741 F753 L760 Y762 L763 D764	W703-L739 HydrophobicContact CH2-CD1 4.34Å; W703-L739 HydrophobicContact CZ3-CD1 4.29Å; L715-L739 HydrophobicContact CB-CD1 4.21Å; L715-L739 HydrophobicContact CD2-CD1 4.08Å; L715-L739 HydrophobicContact CG-CD1 4.21Å; L729-L739 HydrophobicContact CD2-CD2 4.21Å; L736-L739 HydrophobicContact CD2-CB 3.94Å; L736-L739 HydrophobicContact CD2-CD1 4.22Å; L736-L739 HydrophobicContact CD2-CD2 4.46Å; L736-L739 HydrophobicContact CD2-CG 4.43Å; L739-L741 HydrophobicContact CD1-CD1 4.34Å; L739-L741 HydrophobicContact CD1-CG 4.15Å; L739-L741 HydrophobicContact CD2-CD1 3.89Å; L739-L741 HydrophobicContact CG-CD1 4Å; L739-L741 HydrophobicContact CG-CG 4.12Å; L739-F753 HydrophobicContact CD2-CZ 4.01Å; L739-L760 HydrophobicContact CB-CD1 4.01Å; L739-Y762 PolarHBondContact N-O 2.66Å; L739-L763 HydrophobicContact CB-CD1 4.06Å; L739-L763 HydrophobicContact CD2-CD1 4Å; L739-L763 HydrophobicContact CG-CD1 4.07Å; L739-L763 WeakPolarHBondContact O-CA 3.34Å; L739-D764 PolarHBondContact O-N 3.05Å
740	V	98.1	Very high	95.4	Very high	12 Å²	12	44.1 Å²	44.1	7%	0.073	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.4	178.9	-169.3	0	0	0	0	109.8	L715 D716 L717 K738 H742 Y762 D764	L715-V740 PolarHBondContact O-N 2.96Å; D716-V740 HydrophobicContact CB-CB 4.3Å; L717-V740 PolarHBondContact N-O 2.95Å; K738-V740 HydrophobicContact CD-CG2 4.48Å; K738-V740 HydrophobicContact CG-CG2 4.1Å; V740-H742 HydrophobicContact CG1-CB 4.17Å; V740-Y762 HydrophobicContact CG2-CE1 4.14Å; V740-D764 HydrophobicContact CG1-CB 4.11Å
741	L	97.5	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.			trans	-121.9	16.3	178.7	-71.9	166.9	0	0	0	112.4	W703 L717 L722 V725 L739 N744 I746 D764 L765 N768	W703-L741 HydrophobicContact CH2-CD1 4.29Å; W703-L741 HydrophobicContact CH2-CD2 4.04Å; W703-L741 HydrophobicContact CZ2-CD2 4.37Å; L717-L741 HydrophobicContact CB-CD2 3.9Å; L717-L741 HydrophobicContact CD1-CD2 4.14Å; L722-L741 HydrophobicContact CD1-CD2 3.97Å; V725-L741 HydrophobicContact CG1-CD1 4.1Å; L739-L741 HydrophobicContact CD1-CD1 4.34Å; L739-L741 HydrophobicContact CD1-CG 4.15Å; L739-L741 HydrophobicContact CD2-CD1 3.89Å; L739-L741 HydrophobicContact CG-CD1 4Å; L739-L741 HydrophobicContact CG-CG 4.12Å; L741-N744 PolarHBondContact O-ND2 2.97Å; L741-I746 HydrophobicContact CB-CD1 4.03Å; L741-I746 HydrophobicContact CD1-CD1 4.07Å; L741-I746 HydrophobicContact CD2-CD1 4.35Å; L741-I746 HydrophobicContact CG-CD1 4.39Å; L741-D764 CarbonylContact C-O 3.1Å; L741-D764 WeakPolarHBondContact CA-O 3.01Å; L741-D764 WeakPolarHBondContact CB-O 3.37Å; L741-D764 PolarHBondContact N-O 3.17Å; L741-L765 HydrophobicContact CB-CD2 4.11Å; L741-L765 HydrophobicContact CD1-CD2 3.93Å; L741-N768 PolarHBondContact O-ND2 3.33Å
742	H	95.5	Very high	95.3	Very high	53 Å²	53	45.2 Å²	45.2	25%	0.245	24%	0.235	C	C	.	.			trans	-47.9	140.5	174	163	72.6	0	0	0	112.7	S718 G719 V740 N744 D764 S766 F767	S718-H742 CarbonylContact C-O 3.4Å; S718-H742 WeakPolarHBondContact CA-O 3.36Å; S718-H742 VanDerWaalsContact CB-O 3.28Å; S718-H742 WeakPolarHBondContact CB-O 3.46Å; G719-H742 PolarHBondContact N-O 2.96Å; V740-H742 HydrophobicContact CG1-CB 4.17Å; H742-N744 PolarHBondContact O-ND2 2.9Å; H742-D764 PolarHBondContact N-O 2.92Å; H742-S766 WeakPolarHBondContact CA-O 3.21Å; H742-S766 PolarHBondContact ND1-OG 3.06Å; H742-S766 VanDerWaalsContact ND1-OG 3.07Å; H742-F767 AromaticContact CE1-CD2 3.33Å; H742-F767 WeakPolarHBondContact CE1-CD2 3.44Å; H742-F767 AromaticContact CE1-CE2 3.88Å; H742-F767 AromaticContact CE1-CG 3.78Å; H742-F767 AromaticContact ND1-CD2 3.41Å; H742-F767 WeakPolarHBondContact ND1-CD2 3.32Å; H742-F767 AromaticContact ND1-CG 3.97Å
743	D	96.8	Very high	95.3	Very high	69 Å²	69	44.7 Å²	44.7	37%	0.369	23%	0.231	S	C	.	.	S	Bend	trans	55	58.6	175.1	-169.5	28	0	0	0	112.1	G719 N720 S766 F767	G719-D743 CarbonylContact C-O 3.32Å; G719-D743 WeakPolarHBondContact CA-O 3.47Å; G719-D743 PolarHBondContact N-O 2.85Å; G719-D743 VanDerWaalsContact N-O 3.12Å; N720-D743 PolarHBondContact N-O 3.05Å; D743-S766 PolarHBondContact N-O 3.17Å; D743-S766 VanDerWaalsContact N-O 3.13Å; D743-F767 WeakPolarHBondContact CA-O 3.23Å; D743-F767 HydrophobicContact CB-CB 4.27Å
744	N	97.8	Very high	95.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-122.1	-170.5	170.7	-86.4	-82.1	0	0	0	109.5	L717 N720 L722 L741 H742 I746 N768	L717-N744 PolarHBondContact O-ND2 3.13Å; N720-N744 WeakPolarHBondContact CA-OD1 3.46Å; N720-N744 WeakPolarHBondContact CB-OD1 3.49Å; N720-N744 PolarHBondContact O-OD1 3.28Å; L722-N744 HydrophobicContact CB-CB 4.39Å; L722-N744 VanDerWaalsContact CB-OD1 3.3Å; L722-N744 WeakPolarHBondContact CB-OD1 3.24Å; L722-N744 WeakPolarHBondContact CG-OD1 3.43Å; L722-N744 PolarHBondContact N-OD1 2.82Å; L741-N744 PolarHBondContact O-ND2 2.97Å; H742-N744 PolarHBondContact O-ND2 2.9Å; N744-I746 HydrophobicContact CB-CD1 4.29Å; N744-I746 HydrophobicContact CB-CG1 4.18Å; N744-N768 WeakPolarHBondContact CA-OD1 3.43Å; N744-N768 WeakPolarHBondContact CB-OD1 3.38Å; N744-N768 PolarHBondContact O-OD1 3.18Å
745	K	96.9	Very high	95.5	Very high	84 Å²	84	42.6 Å²	42.6	37%	0.365	21%	0.213	S	C	.	.			trans	-115.6	31.8	-179.6	-53.9	-59.4	169.4	-150.3	0	111.8	L722 T723 L747 L769	L722-K745 CarbonylContact O-C 3.2Å; L722-K745 VanDerWaalsContact O-CA 3.29Å; L722-K745 WeakPolarHBondContact O-CA 3.46Å; L722-K745 PolarHBondContact O-N 2.95Å; T723-K745 HydrophobicContact CG2-CB 4.38Å; K745-L747 PolarHBondContact O-N 2.82Å; K745-L769 HydrophobicContact CD-CD1 4.34Å
746	I	96.8	Very high	95.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.233	C	C	.	.			trans	-68.6	120.7	-176	-59.3	166	0	0	0	109.6	L722 T723 V725 L741 N744 L749 L765 N768 L769 I770	L722-I746 PolarHBondContact O-N 3.4Å; L722-I746 VanDerWaalsContact O-N 3.16Å; T723-I746 WeakPolarHBondContact O-CA 3.32Å; V725-I746 HydrophobicContact CG1-CD1 3.89Å; V725-I746 HydrophobicContact CG1-CG2 4.14Å; L741-I746 HydrophobicContact CB-CD1 4.03Å; L741-I746 HydrophobicContact CD1-CD1 4.07Å; L741-I746 HydrophobicContact CD2-CD1 4.35Å; L741-I746 HydrophobicContact CG-CD1 4.39Å; N744-I746 HydrophobicContact CB-CD1 4.29Å; N744-I746 HydrophobicContact CB-CG1 4.18Å; I746-L749 HydrophobicContact CG2-CD2 4.26Å; I746-L765 HydrophobicContact CD1-CD2 4.33Å; I746-N768 HydrophobicContact CB-CB 4.29Å; I746-N768 VanDerWaalsContact CB-OD1 3.29Å; I746-N768 WeakPolarHBondContact CB-OD1 3.18Å; I746-N768 WeakPolarHBondContact CG1-OD1 3.1Å; I746-N768 PolarHBondContact N-OD1 3Å; I746-L769 CarbonylContact O-C 3.26Å; I746-L769 VanDerWaalsContact O-CA 3.31Å; I746-L769 WeakPolarHBondContact O-CA 3.46Å; I746-L769 PolarHBondContact O-N 2.82Å; I746-I770 HydrophobicContact CG2-CG1 4.16Å; I746-I770 PolarHBondContact O-N 3.26Å; I746-I770 VanDerWaalsContact O-N 3.16Å
747	L	93.3	Very high	95.1	Very high	86 Å²	86	47.6 Å²	47.6	45%	0.45	24%	0.235	S	C	.	.			trans	-92.7	-36.4	-177.1	-70.1	167.5	0	0	0	113.5	T723 K745 L769 I770 K771	T723-L747 PolarHBondContact O-N 3.33Å; K745-L747 PolarHBondContact O-N 2.82Å; L747-L769 HydrophobicContact CD2-CB 3.76Å; L747-L769 HydrophobicContact CD2-CD1 4.14Å; L747-I770 WeakPolarHBondContact O-CA 3.49Å; L747-K771 PolarHBondContact O-N 3.23Å
748	K	92.2	Very high	94.8	Very high	162 Å²	162	49.8 Å²	49.8	70%	0.704	25%	0.248	S	C	*	.	B	Isolated β-bridge	trans	-149.3	148.5	-178.9	63.3	179	-179.2	178.5	0	110.9
749	L	94.9	Very high	94.5	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	25%	0.247	C	C	.	.			trans	-86	155.3	168.9	-55	-179.5	0	0	0	109.6	V725 I746 F753 L765 I770 I773 F778	V725-L749 HydrophobicContact CG1-CD2 3.93Å; V725-L749 HydrophobicContact CG2-CB 4.37Å; V725-L749 HydrophobicContact CG2-CD2 3.91Å; I746-L749 HydrophobicContact CG2-CD2 4.26Å; L749-F753 HydrophobicContact CD2-CD1 4.41Å; L749-L765 HydrophobicContact CD1-CD1 4.06Å; L749-L765 HydrophobicContact CD2-CD1 4.2Å; L749-L765 HydrophobicContact CD2-CD2 4.34Å; L749-I770 HydrophobicContact CD2-CD1 4.06Å; L749-I770 HydrophobicContact CG-CD1 4.37Å; L749-I773 HydrophobicContact CD1-CD1 4.4Å; L749-I773 HydrophobicContact CD1-CG1 4.07Å; L749-I773 HydrophobicContact CD1-CG2 4.37Å; L749-F778 HydrophobicContact CD1-CD1 4.28Å; L749-F778 HydrophobicContact CD1-CE1 3.5Å; L749-F778 HydrophobicContact CD1-CZ 3.95Å
750	T	94	Very high	94.4	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.184	25%	0.248	C	C	.	.			trans	-82.4	147.5	175.6	52	0	0	0	0	110	V725 P726 R727 N752 F753 S777	V725-T750 HydrophobicContact CG2-CG2 4.27Å; P726-T750 PolarHBondContact O-OG1 2.82Å; R727-T750 PolarHBondContact O-OG1 3.3Å; T750-N752 PolarHBondContact O-N 3.4Å; T750-F753 WeakPolarHBondContact O-CB 3.49Å; T750-F753 PolarHBondContact O-N 3.15Å; T750-F753 VanDerWaalsContact O-N 3.14Å; T750-F753 WeakPolarHBondContact OG1-CA 3.44Å; T750-F753 WeakPolarHBondContact OG1-CB 3.48Å; T750-S777 WeakPolarHBondContact O-CB 3.42Å; T750-S777 PolarHBondContact O-OG 2.8Å
751	P	90.5	Very high	94.2	Very high	71 Å²	71	51.9 Å²	51.9	46%	0.461	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.3	-176.7	-28.7	36.3	0	0	0	115.5	S776 S777	P751-S776 WeakPolarHBondContact CA-OG 3.18Å; P751-S776 CarbonylContact O-C 3.26Å; P751-S776 VanDerWaalsContact O-CA 3.25Å; P751-S776 WeakPolarHBondContact O-CA 3.25Å; P751-S776 WeakPolarHBondContact O-CB 3.33Å; P751-S776 PolarHBondContact O-OG 3.28Å; P751-S777 WeakPolarHBondContact O-CA 3.11Å; P751-S777 PolarHBondContact O-N 2.96Å
752	N	93.1	Very high	94.1	Very high	72 Å²	72	54.5 Å²	54.5	39%	0.385	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	24.4	178.6	-67.1	-12.4	0	0	0	111.9	R727 V728 T750 L754 Q755	R727-N752 CarbonylContact O-C 3.33Å; V728-N752 WeakPolarHBondContact CA-O 3.37Å; V728-N752 HydrophobicContact CG2-CB 3.75Å; T750-N752 PolarHBondContact O-N 3.4Å; N752-L754 PolarHBondContact O-N 3.05Å; N752-Q755 HydrophobicContact CB-CB 4.14Å; N752-Q755 VanDerWaalsContact CG-OE1 3.24Å; N752-Q755 PolarHBondContact ND2-OE1 3.48Å; N752-Q755 WeakPolarHBondContact O-CB 3.25Å; N752-Q755 PolarHBondContact O-N 2.82Å; N752-Q755 VanDerWaalsContact O-N 3.1Å
753	F	95.4	Very high	94.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-53	-169.8	174.5	-137	0	0	0	112.9	V725 P726 R727 L729 L739 L749 T750 L763 F778	V725-F753 HydrophobicContact CB-CD2 3.98Å; V725-F753 HydrophobicContact CB-CE2 3.88Å; V725-F753 HydrophobicContact CB-CG 4.47Å; V725-F753 HydrophobicContact CB-CZ 4.23Å; V725-F753 HydrophobicContact CG1-CE2 4.45Å; V725-F753 HydrophobicContact CG1-CZ 4.33Å; V725-F753 HydrophobicContact CG2-CD1 4.44Å; V725-F753 HydrophobicContact CG2-CD2 3.94Å; V725-F753 HydrophobicContact CG2-CE2 4.33Å; V725-F753 HydrophobicContact CG2-CG 4.03Å; P726-F753 HydrophobicContact CG-CD2 4.03Å; P726-F753 HydrophobicContact CG-CE2 3.8Å; R727-F753 PolarHBondContact O-N 3.19Å; L729-F753 HydrophobicContact CB-CD2 4.28Å; L729-F753 HydrophobicContact CB-CE2 4.09Å; L729-F753 WeakPolarHBondContact CB-O 3.44Å; L729-F753 HydrophobicContact CD2-CE2 4.29Å; L729-F753 HydrophobicContact CD2-CZ 4.49Å; L729-F753 PolarHBondContact N-O 3.47Å; L739-F753 HydrophobicContact CD2-CZ 4.01Å; L749-F753 HydrophobicContact CD2-CD1 4.41Å; T750-F753 WeakPolarHBondContact O-CB 3.49Å; T750-F753 PolarHBondContact O-N 3.15Å; T750-F753 VanDerWaalsContact O-N 3.14Å; T750-F753 WeakPolarHBondContact OG1-CA 3.44Å; T750-F753 WeakPolarHBondContact OG1-CB 3.48Å; F753-L763 HydrophobicContact CE1-CD2 4.22Å; F753-F778 HydrophobicContact CD1-CE1 4.39Å
754	L	95.3	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	14.9	-177.8	-58.3	180	0	0	0	113.5	L729 N752 E756 A757 L760 L763 S777 F778 V782 V783 M786	L729-L754 HydrophobicContact CD2-CD2 4.08Å; N752-L754 PolarHBondContact O-N 3.05Å; L754-E756 PolarHBondContact O-N 3.42Å; L754-E756 VanDerWaalsContact O-N 3.17Å; L754-A757 PolarHBondContact O-N 3.5Å; L754-L760 HydrophobicContact CD2-CD2 3.65Å; L754-L763 HydrophobicContact CD1-CD2 4.04Å; L754-L763 HydrophobicContact CD2-CD2 4.4Å; L754-S777 WeakPolarHBondContact CB-O 3.41Å; L754-S777 PolarHBondContact N-O 3.48Å; L754-S777 VanDerWaalsContact N-O 3.15Å; L754-F778 HydrophobicContact CD1-CD1 3.61Å; L754-F778 HydrophobicContact CD1-CE1 3.65Å; L754-F778 HydrophobicContact CD1-CG 4.27Å; L754-F778 HydrophobicContact CD1-CZ 4.39Å; L754-F778 HydrophobicContact CG-CD1 4.27Å; L754-F778 HydrophobicContact CG-CE1 4.35Å; L754-V782 WeakPolarHBondContact O-CG2 3.29Å; L754-V783 HydrophobicContact CD1-CG2 4.33Å; L754-M786 HydrophobicContact CD1-CE 3.67Å
755	Q	93.3	Very high	94.2	Very high	77 Å²	77	49.3 Å²	49.3	36%	0.36	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	123.8	178.2	-174.9	173.9	12.4	0	0	109.9	V728 S730 N752 A757	V728-Q755 HydrophobicContact CG1-CB 4.36Å; S730-Q755 VanDerWaalsContact CB-O 3.25Å; S730-Q755 WeakPolarHBondContact CB-O 3.44Å; S730-Q755 PolarHBondContact OG-O 3.16Å; N752-Q755 HydrophobicContact CB-CB 4.14Å; N752-Q755 VanDerWaalsContact CG-OE1 3.24Å; N752-Q755 PolarHBondContact ND2-OE1 3.48Å; N752-Q755 WeakPolarHBondContact O-CB 3.25Å; N752-Q755 PolarHBondContact O-N 2.82Å; N752-Q755 VanDerWaalsContact O-N 3.1Å; Q755-A757 PolarHBondContact O-N 3.26Å; Q755-A757 VanDerWaalsContact O-N 3.09Å
756	E	90.7	Very high	94.1	Very high	128 Å²	128	45.4 Å²	45.4	60%	0.598	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	15.3	179.2	-62.1	177.7	-174	0	0	116.2	L754 L758	L754-E756 PolarHBondContact O-N 3.42Å; L754-E756 VanDerWaalsContact O-N 3.17Å; E756-L758 PolarHBondContact O-N 3.23Å
757	A	92.1	Very high	94	Very high	9 Å²	9	49.3 Å²	49.3	7%	0.074	25%	0.247	C	C	.	.			trans	-77.9	56.8	176	0	0	0	0	0	112.4	L729 L754 Q755 S759 L760 V782	L729-A757 HydrophobicContact CD2-CB 4.35Å; L754-A757 PolarHBondContact O-N 3.5Å; Q755-A757 PolarHBondContact O-N 3.26Å; Q755-A757 VanDerWaalsContact O-N 3.09Å; A757-S759 VanDerWaalsContact C-N 3.26Å; A757-S759 PolarHBondContact O-N 3.15Å; A757-L760 WeakPolarHBondContact O-CB 3.41Å; A757-L760 PolarHBondContact O-N 3.23Å; A757-V782 HydrophobicContact CB-CG1 4.5Å; A757-V782 VanDerWaalsContact O-CG1 3.31Å; A757-V782 WeakPolarHBondContact O-CG1 3.4Å
758	L	90.8	Very high	94.2	Very high	97 Å²	97	45.4 Å²	45.4	51%	0.508	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.8	-168.4	-62.1	174.3	0	0	0	114.9	E756 V782	E756-L758 PolarHBondContact O-N 3.23Å; L758-V782 HydrophobicContact CD2-CG2 4.12Å
759	S	92.7	Very high	94.4	Very high	49 Å²	49	41 Å²	41	34%	0.343	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-18	-179.7	-56.2	0	0	0	0	113.3	T734 L736 E737 A757 K761	T734-S759 WeakPolarHBondContact O-CB 3.27Å; T734-S759 PolarHBondContact O-OG 2.81Å; L736-S759 CarbonylContact O-C 3.5Å; E737-S759 WeakPolarHBondContact CA-O 3.43Å; A757-S759 VanDerWaalsContact C-N 3.26Å; A757-S759 PolarHBondContact O-N 3.15Å; S759-K761 PolarHBondContact O-N 2.7Å
760	L	94.9	Very high	94.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.207	C	C	.	.			trans	-75.4	117.8	-171.2	-167.3	70.5	0	0	0	111.3	L729 L736 L739 L754 A757 L763 M786	L729-L760 HydrophobicContact CD2-CD2 4.06Å; L736-L760 HydrophobicContact CD2-CD1 4.47Å; L736-L760 HydrophobicContact CG-CD1 4.48Å; L736-L760 WeakPolarHBondContact O-CA 3.32Å; L736-L760 PolarHBondContact O-N 3.01Å; L739-L760 HydrophobicContact CB-CD1 4.01Å; L754-L760 HydrophobicContact CD2-CD2 3.65Å; A757-L760 WeakPolarHBondContact O-CB 3.41Å; A757-L760 PolarHBondContact O-N 3.23Å; L760-L763 HydrophobicContact CD2-CB 4.45Å; L760-M786 HydrophobicContact CB-CE 4.49Å; L760-M786 HydrophobicContact CD2-CE 3.7Å; L760-M786 HydrophobicContact CG-CE 4.14Å
761	K	94.2	Very high	94.3	Very high	85 Å²	85	44.3 Å²	44.3	37%	0.37	22%	0.222	S	C	.	.			trans	-107.5	-30.1	-179.3	-64.3	173.1	-173	161	0	113	E737 S759 E787 K788	E737-K761 PolarHBondContact O-N 2.97Å; E737-K761 IonicContact OE2-NZ 3.17Å; E737-K761 PolarHBondContact OE2-NZ 3.14Å; S759-K761 PolarHBondContact O-N 2.7Å; K761-E787 HydrophobicContact CB-CG 4.46Å; K761-E787 PolarHBondContact O-N 3.48Å; K761-K788 PolarHBondContact O-N 3.14Å
762	Y	95.7	Very high	94.3	Very high	55 Å²	55	43.7 Å²	43.7	22%	0.216	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.1	-176	-177	-75.7	0	0	0	111	E737 K738 L739 V740 D764 K788 L790	E737-Y762 PolarHBondContact O-N 3.39Å; E737-Y762 VanDerWaalsContact O-N 3.09Å; K738-Y762 WeakPolarHBondContact CA-O 3.48Å; K738-Y762 HydrophobicContact CD-CD1 4.13Å; K738-Y762 HydrophobicContact CD-CG 4.32Å; K738-Y762 HydrophobicContact CG-CD1 3.61Å; K738-Y762 HydrophobicContact CG-CE1 4.36Å; K738-Y762 HydrophobicContact CG-CG 4.01Å; L739-Y762 PolarHBondContact N-O 2.66Å; V740-Y762 HydrophobicContact CG2-CE1 4.14Å; Y762-D764 HydrophobicContact CE1-CB 3.75Å; Y762-K788 HydrophobicContact CD2-CB 3.94Å; Y762-K788 HydrophobicContact CD2-CD 4.43Å; Y762-K788 HydrophobicContact CE2-CB 4.23Å; Y762-K788 HydrophobicContact CE2-CD 3.96Å; Y762-K788 HydrophobicContact CE2-CG 4.31Å; Y762-L790 HydrophobicContact CE1-CD1 4.28Å; Y762-L790 HydrophobicContact CE2-CD1 3.9Å; Y762-L790 WeakPolarHBondContact OH-CD1 3.25Å
763	L	96.8	Very high	94.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.9	175.5	177.8	60.7	0	0	0	110.7	L739 F753 L754 L760 L765 F778 M786 K788 L789 L790	L739-L763 HydrophobicContact CB-CD1 4.06Å; L739-L763 HydrophobicContact CD2-CD1 4Å; L739-L763 HydrophobicContact CG-CD1 4.07Å; L739-L763 WeakPolarHBondContact O-CA 3.34Å; F753-L763 HydrophobicContact CE1-CD2 4.22Å; L754-L763 HydrophobicContact CD1-CD2 4.04Å; L754-L763 HydrophobicContact CD2-CD2 4.4Å; L760-L763 HydrophobicContact CD2-CB 4.45Å; L763-L765 HydrophobicContact CD1-CD2 4.36Å; L763-L765 HydrophobicContact CD1-CG 4.09Å; L763-L765 HydrophobicContact CD2-CD1 3.88Å; L763-L765 HydrophobicContact CD2-CG 4.29Å; L763-L765 HydrophobicContact CG-CD1 4.15Å; L763-L765 HydrophobicContact CG-CG 4.01Å; L763-F778 HydrophobicContact CD2-CE1 4.39Å; L763-F778 HydrophobicContact CD2-CZ 4.17Å; L763-M786 HydrophobicContact CB-CE 4.44Å; L763-M786 HydrophobicContact CD2-CE 4.44Å; L763-K788 PolarHBondContact N-O 3.18Å; L763-L789 HydrophobicContact CB-CD1 3.91Å; L763-L789 HydrophobicContact CD2-CD1 3.89Å; L763-L789 HydrophobicContact CG-CD1 3.96Å; L763-L789 WeakPolarHBondContact O-CA 3.29Å; L763-L790 PolarHBondContact O-N 3.18Å
764	D	97.1	Very high	94	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.4	174	-170.9	-10.3	0	0	0	111	L739 V740 L741 H742 Y762 S766 L790	L739-D764 PolarHBondContact O-N 3.05Å; V740-D764 HydrophobicContact CG1-CB 4.11Å; L741-D764 CarbonylContact C-O 3.1Å; L741-D764 WeakPolarHBondContact CA-O 3.01Å; L741-D764 WeakPolarHBondContact CB-O 3.37Å; L741-D764 PolarHBondContact N-O 3.17Å; H742-D764 PolarHBondContact N-O 2.92Å; Y762-D764 HydrophobicContact CE1-CB 3.75Å; D764-S766 WeakPolarHBondContact OD1-CB 3.02Å; D764-S766 PolarHBondContact OD1-N 2.8Å; D764-S766 PolarHBondContact OD1-OG 3.02Å; D764-L790 HydrophobicContact CB-CB 4.29Å; D764-L790 HydrophobicContact CB-CD1 4.29Å; D764-L790 WeakPolarHBondContact OD1-CB 3.29Å
765	L	96.9	Very high	93.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.			trans	-115.8	16.2	174.9	-67	169.1	0	0	0	111.3	L741 I746 L749 L763 N768 I770 F778 L790 L791 N794	L741-L765 HydrophobicContact CB-CD2 4.11Å; L741-L765 HydrophobicContact CD1-CD2 3.93Å; I746-L765 HydrophobicContact CD1-CD2 4.33Å; L749-L765 HydrophobicContact CD1-CD1 4.06Å; L749-L765 HydrophobicContact CD2-CD1 4.2Å; L749-L765 HydrophobicContact CD2-CD2 4.34Å; L763-L765 HydrophobicContact CD1-CD2 4.36Å; L763-L765 HydrophobicContact CD1-CG 4.09Å; L763-L765 HydrophobicContact CD2-CD1 3.88Å; L763-L765 HydrophobicContact CD2-CG 4.29Å; L763-L765 HydrophobicContact CG-CD1 4.15Å; L763-L765 HydrophobicContact CG-CG 4.01Å; L765-N768 PolarHBondContact O-ND2 3.41Å; L765-I770 HydrophobicContact CB-CD1 3.93Å; L765-I770 HydrophobicContact CD1-CD1 4.14Å; L765-I770 HydrophobicContact CD2-CD1 4.3Å; L765-I770 HydrophobicContact CG-CD1 4.36Å; L765-F778 HydrophobicContact CD1-CE1 4.49Å; L765-F778 HydrophobicContact CD1-CZ 3.99Å; L765-L790 CarbonylContact C-O 2.66Å; L765-L790 WeakPolarHBondContact CA-O 3.22Å; L765-L790 PolarHBondContact N-O 3.09Å; L765-L791 HydrophobicContact CB-CD2 4.23Å; L765-L791 HydrophobicContact CD1-CD2 4.25Å; L765-N794 PolarHBondContact O-ND2 3.36Å
766	S	95.4	Very high	93.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	24%	0.242	C	C	.	.			trans	-64.2	158	-179.5	65.6	0	0	0	0	112.2	H742 D743 D764 N768 L790 H792	H742-S766 WeakPolarHBondContact CA-O 3.21Å; H742-S766 PolarHBondContact ND1-OG 3.06Å; H742-S766 VanDerWaalsContact ND1-OG 3.07Å; D743-S766 PolarHBondContact N-O 3.17Å; D743-S766 VanDerWaalsContact N-O 3.13Å; D764-S766 WeakPolarHBondContact OD1-CB 3.02Å; D764-S766 PolarHBondContact OD1-N 2.8Å; D764-S766 PolarHBondContact OD1-OG 3.02Å; S766-N768 VanDerWaalsContact C-N 3.26Å; S766-N768 PolarHBondContact O-N 3.14Å; S766-N768 PolarHBondContact O-ND2 3.36Å; S766-L790 PolarHBondContact N-O 3.28Å; S766-H792 VanDerWaalsContact CA-O 3.27Å; S766-H792 WeakPolarHBondContact CA-O 3.49Å; S766-H792 WeakPolarHBondContact CB-CE1 3.25Å; S766-H792 WeakPolarHBondContact CB-O 3.33Å
767	F	95.3	Very high	93.8	Very high	84 Å²	84	43.3 Å²	43.3	37%	0.368	21%	0.214	S	C	.	.	S	Bend	trans	53.4	42.1	178.7	-65.5	-96.6	0	0	0	113.3	H742 D743 H792 K793	H742-F767 AromaticContact CE1-CD2 3.33Å; H742-F767 WeakPolarHBondContact CE1-CD2 3.44Å; H742-F767 AromaticContact CE1-CE2 3.88Å; H742-F767 AromaticContact CE1-CG 3.78Å; H742-F767 AromaticContact ND1-CD2 3.41Å; H742-F767 WeakPolarHBondContact ND1-CD2 3.32Å; H742-F767 AromaticContact ND1-CG 3.97Å; D743-F767 WeakPolarHBondContact CA-O 3.23Å; D743-F767 HydrophobicContact CB-CB 4.27Å; F767-H792 AromaticContact CD2-NE2 3.85Å; F767-H792 AromaticContact CE2-CD2 3.65Å; F767-H792 AromaticContact CE2-NE2 3.32Å; F767-H792 VanDerWaalsContact CE2-NE2 3.32Å; F767-H792 WeakPolarHBondContact CE2-NE2 3.49Å; F767-H792 PolarHBondContact N-O 3.35Å; F767-K793 WeakPolarHBondContact CA-O 2.93Å; F767-K793 HydrophobicContact CD1-CB 3.91Å; F767-K793 HydrophobicContact CD1-CG 4.2Å; F767-K793 HydrophobicContact CD2-CB 4.3Å; F767-K793 HydrophobicContact CE1-CB 4.06Å; F767-K793 HydrophobicContact CE1-CG 3.82Å; F767-K793 HydrophobicContact CE2-CB 4.46Å; F767-K793 HydrophobicContact CE2-CG 4.25Å; F767-K793 HydrophobicContact CG-CB 4.04Å; F767-K793 HydrophobicContact CZ-CB 4.35Å; F767-K793 HydrophobicContact CZ-CG 3.85Å; F767-K793 PolarHBondContact N-O 3.01Å
768	N	97.1	Very high	93.8	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	21%	0.21	C	C	.	.	S	Bend	trans	-114.6	-171.1	172.4	-84.5	-83.2	0	0	0	110.1	L741 N744 I746 L765 S766 I770 N794	L741-N768 PolarHBondContact O-ND2 3.33Å; N744-N768 WeakPolarHBondContact CA-OD1 3.43Å; N744-N768 WeakPolarHBondContact CB-OD1 3.38Å; N744-N768 PolarHBondContact O-OD1 3.18Å; I746-N768 HydrophobicContact CB-CB 4.29Å; I746-N768 VanDerWaalsContact CB-OD1 3.29Å; I746-N768 WeakPolarHBondContact CB-OD1 3.18Å; I746-N768 WeakPolarHBondContact CG1-OD1 3.1Å; I746-N768 PolarHBondContact N-OD1 3Å; L765-N768 PolarHBondContact O-ND2 3.41Å; S766-N768 VanDerWaalsContact C-N 3.26Å; S766-N768 PolarHBondContact O-N 3.14Å; S766-N768 PolarHBondContact O-ND2 3.36Å; N768-I770 HydrophobicContact CB-CD1 4.31Å; N768-I770 HydrophobicContact CB-CG1 4.14Å; N768-N794 WeakPolarHBondContact CA-OD1 3.38Å; N768-N794 WeakPolarHBondContact CB-OD1 3.36Å; N768-N794 PolarHBondContact O-OD1 3.15Å
769	L	95.9	Very high	93.9	Very high	70 Å²	70	39.6 Å²	39.6	37%	0.366	19%	0.194	S	C	.	.			trans	-115.4	29.3	-178.1	-58.5	174.9	0	0	0	111.4	K745 I746 L747 K771 N794	K745-L769 HydrophobicContact CD-CD1 4.34Å; I746-L769 CarbonylContact O-C 3.26Å; I746-L769 VanDerWaalsContact O-CA 3.31Å; I746-L769 WeakPolarHBondContact O-CA 3.46Å; I746-L769 PolarHBondContact O-N 2.82Å; L747-L769 HydrophobicContact CD2-CB 3.76Å; L747-L769 HydrophobicContact CD2-CD1 4.14Å; L769-K771 PolarHBondContact O-N 2.7Å; L769-N794 PolarHBondContact N-OD1 2.98Å
770	I	95.4	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.			trans	-67.3	127.1	-175.1	-59.7	169.1	0	0	0	109.4	I746 L747 L749 L765 N768 H772 I773 N794 S795 F796	I746-I770 HydrophobicContact CG2-CG1 4.16Å; I746-I770 PolarHBondContact O-N 3.26Å; I746-I770 VanDerWaalsContact O-N 3.16Å; L747-I770 WeakPolarHBondContact O-CA 3.49Å; L749-I770 HydrophobicContact CD2-CD1 4.06Å; L749-I770 HydrophobicContact CG-CD1 4.37Å; L765-I770 HydrophobicContact CB-CD1 3.93Å; L765-I770 HydrophobicContact CD1-CD1 4.14Å; L765-I770 HydrophobicContact CD2-CD1 4.3Å; L765-I770 HydrophobicContact CG-CD1 4.36Å; N768-I770 HydrophobicContact CB-CD1 4.31Å; N768-I770 HydrophobicContact CB-CG1 4.14Å; I770-H772 WeakPolarHBondContact CG2-O 3.49Å; I770-I773 HydrophobicContact CG2-CG1 4.01Å; I770-N794 HydrophobicContact CB-CB 4.42Å; I770-N794 VanDerWaalsContact CB-OD1 3.31Å; I770-N794 WeakPolarHBondContact CB-OD1 3.47Å; I770-N794 WeakPolarHBondContact CG1-OD1 3.46Å; I770-N794 PolarHBondContact N-OD1 3.17Å; I770-S795 CarbonylContact O-C 3.51Å; I770-S795 PolarHBondContact O-N 3.21Å; I770-F796 HydrophobicContact CB-CE1 4.45Å; I770-F796 HydrophobicContact CG2-CE1 4.05Å; I770-F796 PolarHBondContact O-N 3.14Å
771	K	92.4	Very high	93.3	Very high	113 Å²	113	44 Å²	44	49%	0.491	21%	0.214	S	C	.	.			trans	-95.2	-39.4	178.9	-62.6	-177.2	179.9	-180	0	113.6	L747 L769 S795 F796 L797	L747-K771 PolarHBondContact O-N 3.23Å; L769-K771 PolarHBondContact O-N 2.7Å; K771-S795 WeakPolarHBondContact CA-O 3.31Å; K771-F796 WeakPolarHBondContact O-CA 3.36Å; K771-L797 HydrophobicContact CB-CB 4.46Å; K771-L797 PolarHBondContact O-N 3.41Å
772	H	89.8	Confident	92.9	Very high	57 Å²	57	40 Å²	40	26%	0.264	20%	0.197	S	C	.	.			trans	-139.7	148.7	-176.6	-59.3	-72.6	0	0	0	110.8	I770 L797	I770-H772 WeakPolarHBondContact CG2-O 3.49Å; H772-L797 VanDerWaalsContact CE1-CB 3.5Å; H772-L797 WeakPolarHBondContact CE1-CB 3.14Å; H772-L797 PolarHBondContact CE1-O 3.04Å; H772-L797 WeakPolarHBondContact NE2-CD2 3.48Å
773	I	92.5	Very high	92.5	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	19%	0.187	C	C	.	.			trans	-125.7	121.6	168.1	-59.3	-179.6	0	0	0	106.3	L749 I770 F778 L791 F796 W804 F805	L749-I773 HydrophobicContact CD1-CD1 4.4Å; L749-I773 HydrophobicContact CD1-CG1 4.07Å; L749-I773 HydrophobicContact CD1-CG2 4.37Å; I770-I773 HydrophobicContact CG2-CG1 4.01Å; I773-F778 HydrophobicContact CD1-CE2 4.18Å; I773-F778 HydrophobicContact CD1-CZ 4.28Å; I773-F778 HydrophobicContact CG2-CB 4.27Å; I773-F778 HydrophobicContact CG2-CD1 3.98Å; I773-F778 HydrophobicContact CG2-CD2 3.7Å; I773-F778 HydrophobicContact CG2-CE1 4.24Å; I773-F778 HydrophobicContact CG2-CE2 3.93Å; I773-F778 HydrophobicContact CG2-CG 3.72Å; I773-F778 HydrophobicContact CG2-CZ 4.21Å; I773-L791 HydrophobicContact CD1-CD1 4.22Å; I773-L791 HydrophobicContact CD1-CD2 3.99Å; I773-F796 HydrophobicContact CD1-CE1 3.87Å; I773-F796 HydrophobicContact CD1-CZ 4.21Å; I773-F796 HydrophobicContact CG1-CE1 4.07Å; I773-W804 HydrophobicContact CG2-CZ3 4.2Å; I773-F805 HydrophobicContact CB-CD2 3.88Å; I773-F805 HydrophobicContact CB-CE2 4.08Å; I773-F805 HydrophobicContact CB-CG 4.31Å; I773-F805 HydrophobicContact CD1-CD2 4.43Å; I773-F805 HydrophobicContact CD1-CE2 3.74Å; I773-F805 HydrophobicContact CD1-CZ 3.88Å; I773-F805 HydrophobicContact CG1-CE2 4.35Å; I773-F805 HydrophobicContact CG2-CD2 4.24Å; I773-F805 HydrophobicContact CG2-CE2 4.42Å
774	E	90.3	Very high	91.9	Very high	107 Å²	107	44 Å²	44	50%	0.5	22%	0.215	S	C	.	.			trans	-98.1	157.6	-179.3	-65.6	178.6	-176.1	0	0	110.9	S776 S777 F778 W804	E774-S776 WeakPolarHBondContact CB-OG 3.45Å; E774-S776 PolarHBondContact O-N 3.2Å; E774-S776 PolarHBondContact OE2-OG 3.27Å; E774-S777 WeakPolarHBondContact O-CB 3.49Å; E774-S777 PolarHBondContact O-N 2.86Å; E774-S777 VanDerWaalsContact O-N 3.14Å; E774-F778 PolarHBondContact O-N 3.12Å; E774-W804 VanDerWaalsContact C-CZ3 3.44Å
775	Q	90.8	Very high	91.3	Very high	110 Å²	110	50.1 Å²	50.1	51%	0.514	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.9	177.4	-174.9	170.8	1.8	0	0	112.8	S777 F778 W804	Q775-S777 VanDerWaalsContact C-N 3.33Å; Q775-S777 PolarHBondContact O-N 2.91Å; Q775-F778 CarbonylContact O-C 3.05Å; Q775-F778 VanDerWaalsContact O-C 3.26Å; Q775-F778 PolarHBondContact O-N 2.89Å; Q775-W804 VanDerWaalsContact CA-CZ2 3.49Å; Q775-W804 HydrophobicContact CB-CD2 3.61Å; Q775-W804 HydrophobicContact CB-CE3 4.18Å; Q775-W804 HydrophobicContact CB-CG 3.94Å; Q775-W804 HydrophobicContact CB-CH2 4.39Å; Q775-W804 HydrophobicContact CB-CZ2 3.82Å; Q775-W804 VanDerWaalsContact CD-NE1 3.33Å; Q775-W804 HydrophobicContact CG-CD2 4.29Å; Q775-W804 HydrophobicContact CG-CZ2 3.84Å
776	S	90.6	Very high	90.9	Very high	45 Å²	45	50.5 Å²	50.5	32%	0.315	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-47.9	177.3	57.4	0	0	0	0	110	P751 E774 F778	P751-S776 WeakPolarHBondContact CA-OG 3.18Å; P751-S776 CarbonylContact O-C 3.26Å; P751-S776 VanDerWaalsContact O-CA 3.25Å; P751-S776 WeakPolarHBondContact O-CA 3.25Å; P751-S776 WeakPolarHBondContact O-CB 3.33Å; P751-S776 PolarHBondContact O-OG 3.28Å; E774-S776 WeakPolarHBondContact CB-OG 3.45Å; E774-S776 PolarHBondContact O-N 3.2Å; E774-S776 PolarHBondContact OE2-OG 3.27Å; S776-F778 VanDerWaalsContact C-N 3.3Å; S776-F778 PolarHBondContact O-N 2.9Å
777	S	92.6	Very high	90.5	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.014	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-36.9	-178.7	-60.4	0	0	0	0	112.5	T750 P751 L754 E774 Q775 P779	T750-S777 WeakPolarHBondContact O-CB 3.42Å; T750-S777 PolarHBondContact O-OG 2.8Å; P751-S777 WeakPolarHBondContact O-CA 3.11Å; P751-S777 PolarHBondContact O-N 2.96Å; L754-S777 WeakPolarHBondContact CB-O 3.41Å; L754-S777 PolarHBondContact N-O 3.48Å; L754-S777 VanDerWaalsContact N-O 3.15Å; E774-S777 WeakPolarHBondContact O-CB 3.49Å; E774-S777 PolarHBondContact O-N 2.86Å; E774-S777 VanDerWaalsContact O-N 3.14Å; Q775-S777 VanDerWaalsContact C-N 3.33Å; Q775-S777 PolarHBondContact O-N 2.91Å; S777-P779 WeakPolarHBondContact O-CD 3.36Å
778	F	93.4	Very high	90.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-121.3	75.2	-170.8	-86.5	30.3	0	0	0	110.5	L749 F753 L754 L763 L765 I773 E774 Q775 S776 V783 L789 W804	L749-F778 HydrophobicContact CD1-CD1 4.28Å; L749-F778 HydrophobicContact CD1-CE1 3.5Å; L749-F778 HydrophobicContact CD1-CZ 3.95Å; F753-F778 HydrophobicContact CD1-CE1 4.39Å; L754-F778 HydrophobicContact CD1-CD1 3.61Å; L754-F778 HydrophobicContact CD1-CE1 3.65Å; L754-F778 HydrophobicContact CD1-CG 4.27Å; L754-F778 HydrophobicContact CD1-CZ 4.39Å; L754-F778 HydrophobicContact CG-CD1 4.27Å; L754-F778 HydrophobicContact CG-CE1 4.35Å; L763-F778 HydrophobicContact CD2-CE1 4.39Å; L763-F778 HydrophobicContact CD2-CZ 4.17Å; L765-F778 HydrophobicContact CD1-CE1 4.49Å; L765-F778 HydrophobicContact CD1-CZ 3.99Å; I773-F778 HydrophobicContact CD1-CE2 4.18Å; I773-F778 HydrophobicContact CD1-CZ 4.28Å; I773-F778 HydrophobicContact CG2-CB 4.27Å; I773-F778 HydrophobicContact CG2-CD1 3.98Å; I773-F778 HydrophobicContact CG2-CD2 3.7Å; I773-F778 HydrophobicContact CG2-CE1 4.24Å; I773-F778 HydrophobicContact CG2-CE2 3.93Å; I773-F778 HydrophobicContact CG2-CG 3.72Å; I773-F778 HydrophobicContact CG2-CZ 4.21Å; E774-F778 PolarHBondContact O-N 3.12Å; Q775-F778 CarbonylContact O-C 3.05Å; Q775-F778 VanDerWaalsContact O-C 3.26Å; Q775-F778 PolarHBondContact O-N 2.89Å; S776-F778 VanDerWaalsContact C-N 3.3Å; S776-F778 PolarHBondContact O-N 2.9Å; F778-V783 HydrophobicContact CB-CG2 3.95Å; F778-V783 HydrophobicContact CD2-CG2 4.29Å; F778-V783 HydrophobicContact CG-CG2 4.17Å; F778-L789 HydrophobicContact CE2-CD1 4.27Å; F778-L789 HydrophobicContact CE2-CD2 3.85Å; F778-L789 HydrophobicContact CZ-CD1 4.33Å; F778-W804 HydrophobicContact CB-CH2 3.85Å
779	P	91.4	Very high	90	Very high	27 Å²	27	56.3 Å²	56.3	18%	0.175	27%	0.27	C	S	.	.			trans	-72.4	139.6	-178.6	33	-36	0	0	0	111.3	S777 N781 V782 V783	S777-P779 WeakPolarHBondContact O-CD 3.36Å; P779-N781 VanDerWaalsContact C-N 3.26Å; P779-N781 WeakPolarHBondContact CB-OD1 3.26Å; P779-N781 PolarHBondContact O-N 2.99Å; P779-V782 HydrophobicContact CG-CB 4.45Å; P779-V782 HydrophobicContact CG-CG2 4.3Å; P779-V782 PolarHBondContact O-N 2.88Å; P779-V783 WeakPolarHBondContact O-CG2 3.44Å; P779-V783 PolarHBondContact O-N 3.46Å; P779-V783 VanDerWaalsContact O-N 3.14Å
780	D	87.3	Confident	89.8	Confident	62 Å²	62	53.8 Å²	53.8	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-59.4	-32	-172.3	-80.6	-15.9	0	0	0	114	V782 K784	D780-V782 VanDerWaalsContact C-N 3.26Å; D780-V782 PolarHBondContact O-N 2.9Å; D780-K784 HydrophobicContact CB-CD 4.41Å; D780-K784 VanDerWaalsContact O-CB 3.25Å; D780-K784 WeakPolarHBondContact O-CB 3.43Å; D780-K784 VanDerWaalsContact O-CG 3.22Å; D780-K784 WeakPolarHBondContact O-CG 3.45Å; D780-K784 PolarHBondContact O-N 2.73Å; D780-K784 VanDerWaalsContact O-N 3.09Å
781	N	87.4	Confident	89.7	Confident	85 Å²	85	53.8 Å²	53.8	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-29.8	-178.7	63.7	-27.2	0	0	0	113.2	P779	P779-N781 VanDerWaalsContact C-N 3.26Å; P779-N781 WeakPolarHBondContact CB-OD1 3.26Å; P779-N781 PolarHBondContact O-N 2.99Å
782	V	87.8	Confident	89.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-90.9	-52.5	176.9	177	0	0	0	0	109.6	L754 A757 L758 P779 D780 K784 K785 M786	L754-V782 WeakPolarHBondContact O-CG2 3.29Å; A757-V782 HydrophobicContact CB-CG1 4.5Å; A757-V782 VanDerWaalsContact O-CG1 3.31Å; A757-V782 WeakPolarHBondContact O-CG1 3.4Å; L758-V782 HydrophobicContact CD2-CG2 4.12Å; P779-V782 HydrophobicContact CG-CB 4.45Å; P779-V782 HydrophobicContact CG-CG2 4.3Å; P779-V782 PolarHBondContact O-N 2.88Å; D780-V782 VanDerWaalsContact C-N 3.26Å; D780-V782 PolarHBondContact O-N 2.9Å; V782-K784 VanDerWaalsContact C-N 3.32Å; V782-K784 PolarHBondContact O-N 3.09Å; V782-K785 PolarHBondContact O-N 3.33Å; V782-M786 HydrophobicContact CG1-CE 4Å
783	V	86.1	Confident	89.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-34.2	-169.5	-174.4	0	0	0	0	112	L754 F778 P779 K785 M786 W808 V814	L754-V783 HydrophobicContact CD1-CG2 4.33Å; F778-V783 HydrophobicContact CB-CG2 3.95Å; F778-V783 HydrophobicContact CD2-CG2 4.29Å; F778-V783 HydrophobicContact CG-CG2 4.17Å; P779-V783 WeakPolarHBondContact O-CG2 3.44Å; P779-V783 PolarHBondContact O-N 3.46Å; P779-V783 VanDerWaalsContact O-N 3.14Å; V783-K785 PolarHBondContact O-N 2.87Å; V783-K785 VanDerWaalsContact O-N 3.16Å; V783-M786 HydrophobicContact CG1-SD 4.2Å; V783-M786 HydrophobicContact CG2-SD 4.48Å; V783-M786 WeakPolarHBondContact O-CB 3.15Å; V783-M786 PolarHBondContact O-N 2.65Å; V783-W808 HydrophobicContact CB-CZ2 4.49Å; V783-W808 HydrophobicContact CG1-CH2 4.15Å; V783-W808 HydrophobicContact CG1-CZ2 3.38Å; V783-V814 HydrophobicContact CG1-CG2 4.04Å; V783-V814 WeakPolarHBondContact O-CG2 3.44Å
784	K	84.3	Confident	89.8	Confident	137 Å²	137	51.5 Å²	51.5	60%	0.596	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.2	175	-74.3	176.9	-179.5	173.8	0	114.2	D780 V782	D780-K784 HydrophobicContact CB-CD 4.41Å; D780-K784 VanDerWaalsContact O-CB 3.25Å; D780-K784 WeakPolarHBondContact O-CB 3.43Å; D780-K784 VanDerWaalsContact O-CG 3.22Å; D780-K784 WeakPolarHBondContact O-CG 3.45Å; D780-K784 PolarHBondContact O-N 2.73Å; D780-K784 VanDerWaalsContact O-N 3.09Å; V782-K784 VanDerWaalsContact C-N 3.32Å; V782-K784 PolarHBondContact O-N 3.09Å
785	K	85.4	Confident	89.9	Confident	141 Å²	141	48.5 Å²	48.5	61%	0.613	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-7.6	178.1	-63.9	-176.4	179.4	-177.8	0	113	V782 V783	V782-K785 PolarHBondContact O-N 3.33Å; V783-K785 PolarHBondContact O-N 2.87Å; V783-K785 VanDerWaalsContact O-N 3.16Å
786	M	87.5	Confident	90.1	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.039	21%	0.214	C	C	.	.			trans	-70.1	138.2	177.9	-68.7	-175.7	170.5	0	0	111	L754 L760 L763 V782 V783 V814	L754-M786 HydrophobicContact CD1-CE 3.67Å; L760-M786 HydrophobicContact CB-CE 4.49Å; L760-M786 HydrophobicContact CD2-CE 3.7Å; L760-M786 HydrophobicContact CG-CE 4.14Å; L763-M786 HydrophobicContact CB-CE 4.44Å; L763-M786 HydrophobicContact CD2-CE 4.44Å; V782-M786 HydrophobicContact CG1-CE 4Å; V783-M786 HydrophobicContact CG1-SD 4.2Å; V783-M786 HydrophobicContact CG2-SD 4.48Å; V783-M786 WeakPolarHBondContact O-CB 3.15Å; V783-M786 PolarHBondContact O-N 2.65Å; M786-V814 HydrophobicContact CB-CG1 4.21Å; M786-V814 HydrophobicContact CB-CG2 4.46Å
787	E	87	Confident	90.1	Very high	130 Å²	130	43.4 Å²	43.4	61%	0.607	21%	0.21	S	C	*	.	S	Bend	trans	-79.6	-41.8	175.4	-65.4	176.3	-168.9	0	0	110.6	K761 T815	K761-E787 HydrophobicContact CB-CG 4.46Å; K761-E787 PolarHBondContact O-N 3.48Å; E787-T815 VanDerWaalsContact O-CB 3.31Å; E787-T815 WeakPolarHBondContact O-CB 3.5Å; E787-T815 PolarHBondContact O-OG1 3.48Å
788	K	88.1	Confident	90	Very high	82 Å²	82	43.5 Å²	43.5	36%	0.357	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	133.5	-172.2	-161.3	169.2	177.5	173.1	0	112.7	K761 Y762 L763 L790 T815 P817	K761-K788 PolarHBondContact O-N 3.14Å; Y762-K788 HydrophobicContact CD2-CB 3.94Å; Y762-K788 HydrophobicContact CD2-CD 4.43Å; Y762-K788 HydrophobicContact CE2-CB 4.23Å; Y762-K788 HydrophobicContact CE2-CD 3.96Å; Y762-K788 HydrophobicContact CE2-CG 4.31Å; L763-K788 PolarHBondContact N-O 3.18Å; K788-L790 HydrophobicContact CD-CD1 4.25Å; K788-L790 HydrophobicContact CG-CD1 3.85Å; K788-T815 WeakPolarHBondContact CA-O 3.4Å; K788-P817 HydrophobicContact CD-CG 4.38Å; K788-P817 HydrophobicContact CG-CG 4.28Å
789	L	93	Very high	89.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.1	178.7	176.1	68.2	0	0	0	110	L763 F778 L791 W808 V814 T815 I816	L763-L789 HydrophobicContact CB-CD1 3.91Å; L763-L789 HydrophobicContact CD2-CD1 3.89Å; L763-L789 HydrophobicContact CG-CD1 3.96Å; L763-L789 WeakPolarHBondContact O-CA 3.29Å; F778-L789 HydrophobicContact CE2-CD1 4.27Å; F778-L789 HydrophobicContact CE2-CD2 3.85Å; F778-L789 HydrophobicContact CZ-CD1 4.33Å; L789-L791 HydrophobicContact CD1-CD2 4.03Å; L789-L791 HydrophobicContact CD1-CG 4.44Å; L789-L791 HydrophobicContact CD2-CD1 3.92Å; L789-L791 HydrophobicContact CD2-CD2 4.35Å; L789-L791 HydrophobicContact CD2-CG 4.15Å; L789-L791 HydrophobicContact CG-CD1 4.27Å; L789-L791 HydrophobicContact CG-CD2 4.08Å; L789-L791 HydrophobicContact CG-CG 3.94Å; L789-W808 HydrophobicContact CD2-CH2 3.72Å; L789-W808 HydrophobicContact CD2-CZ3 4.45Å; L789-V814 HydrophobicContact CB-CG1 3.83Å; L789-T815 PolarHBondContact N-O 3.1Å; L789-T815 VanDerWaalsContact N-O 3.08Å; L789-I816 HydrophobicContact CB-CG1 4.32Å; L789-I816 HydrophobicContact CD2-CD1 4.35Å; L789-I816 HydrophobicContact CD2-CG1 4.46Å; L789-I816 WeakPolarHBondContact O-CA 3.4Å
790	L	92.8	Very high	89.4	Confident	17 Å²	17	47.2 Å²	47.2	9%	0.089	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.3	-178.3	-63.8	81.5	0	0	0	109.9	Y762 L763 D764 L765 S766 K788 P817	Y762-L790 HydrophobicContact CE1-CD1 4.28Å; Y762-L790 HydrophobicContact CE2-CD1 3.9Å; Y762-L790 WeakPolarHBondContact OH-CD1 3.25Å; L763-L790 PolarHBondContact O-N 3.18Å; D764-L790 HydrophobicContact CB-CB 4.29Å; D764-L790 HydrophobicContact CB-CD1 4.29Å; D764-L790 WeakPolarHBondContact OD1-CB 3.29Å; L765-L790 CarbonylContact C-O 2.66Å; L765-L790 WeakPolarHBondContact CA-O 3.22Å; L765-L790 PolarHBondContact N-O 3.09Å; S766-L790 PolarHBondContact N-O 3.28Å; K788-L790 HydrophobicContact CD-CD1 4.25Å; K788-L790 HydrophobicContact CG-CD1 3.85Å; L790-P817 HydrophobicContact CG-CG 4.47Å
791	L	94	Very high	89.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.			trans	-124.8	-3.1	-176.2	-60.8	179.8	0	0	0	113.7	L765 I773 L789 N794 F796 F805	L765-L791 HydrophobicContact CB-CD2 4.23Å; L765-L791 HydrophobicContact CD1-CD2 4.25Å; I773-L791 HydrophobicContact CD1-CD1 4.22Å; I773-L791 HydrophobicContact CD1-CD2 3.99Å; L789-L791 HydrophobicContact CD1-CD2 4.03Å; L789-L791 HydrophobicContact CD1-CG 4.44Å; L789-L791 HydrophobicContact CD2-CD1 3.92Å; L789-L791 HydrophobicContact CD2-CD2 4.35Å; L789-L791 HydrophobicContact CD2-CG 4.15Å; L789-L791 HydrophobicContact CG-CD1 4.27Å; L789-L791 HydrophobicContact CG-CD2 4.08Å; L789-L791 HydrophobicContact CG-CG 3.94Å; L791-N794 PolarHBondContact O-ND2 3.28Å; L791-F796 HydrophobicContact CB-CE2 4.4Å; L791-F796 HydrophobicContact CB-CZ 4.17Å; L791-F805 HydrophobicContact CD1-CE2 4.05Å; L791-F805 HydrophobicContact CD1-CZ 3.83Å
792	H	90.5	Very high	89.1	Confident	17 Å²	17	46.9 Å²	46.9	8%	0.079	23%	0.234	C	C	.	.			trans	-64	154.3	-172.8	64.9	-91.2	0	0	0	112.5	S766 F767 N794 R818 D822 V823	S766-H792 VanDerWaalsContact CA-O 3.27Å; S766-H792 WeakPolarHBondContact CA-O 3.49Å; S766-H792 WeakPolarHBondContact CB-CE1 3.25Å; S766-H792 WeakPolarHBondContact CB-O 3.33Å; F767-H792 AromaticContact CD2-NE2 3.85Å; F767-H792 AromaticContact CE2-CD2 3.65Å; F767-H792 AromaticContact CE2-NE2 3.32Å; F767-H792 VanDerWaalsContact CE2-NE2 3.32Å; F767-H792 WeakPolarHBondContact CE2-NE2 3.49Å; F767-H792 PolarHBondContact N-O 3.35Å; H792-N794 PolarHBondContact O-N 3.16Å; H792-R818 HydrophobicContact CB-CB 4.49Å; H792-D822 HydrophobicContact CB-CB 3.68Å; H792-V823 HydrophobicContact CB-CG2 4.26Å
793	K	91.4	Very high	89.1	Confident	99 Å²	99	49.2 Å²	49.2	43%	0.43	25%	0.251	S	S	.	.	S	Bend	trans	56.1	45.2	-177.4	-58.2	-64.2	-167.8	-159.9	0	113.2	F767 D822	F767-K793 WeakPolarHBondContact CA-O 2.93Å; F767-K793 HydrophobicContact CD1-CB 3.91Å; F767-K793 HydrophobicContact CD1-CG 4.2Å; F767-K793 HydrophobicContact CD2-CB 4.3Å; F767-K793 HydrophobicContact CE1-CB 4.06Å; F767-K793 HydrophobicContact CE1-CG 3.82Å; F767-K793 HydrophobicContact CE2-CB 4.46Å; F767-K793 HydrophobicContact CE2-CG 4.25Å; F767-K793 HydrophobicContact CG-CB 4.04Å; F767-K793 HydrophobicContact CZ-CB 4.35Å; F767-K793 HydrophobicContact CZ-CG 3.85Å; F767-K793 PolarHBondContact N-O 3.01Å; K793-D822 HydrophobicContact CD-CB 4.47Å; K793-D822 VanDerWaalsContact CE-OD1 3.31Å; K793-D822 WeakPolarHBondContact CE-OD1 3.4Å; K793-D822 PolarHBondContact N-O 3.07Å; K793-D822 IonicContact NZ-OD1 2.65Å; K793-D822 PolarHBondContact NZ-OD1 3.27Å; K793-D822 IonicContact NZ-OD2 4Å
794	N	94.3	Very high	89.2	Confident	11 Å²	11	51.7 Å²	51.7	6%	0.059	26%	0.26	C	S	.	.			trans	-105.5	172.2	165.3	-86.8	-78.6	0	0	0	110.8	L765 N768 L769 I770 L791 H792 F796	L765-N794 PolarHBondContact O-ND2 3.36Å; N768-N794 WeakPolarHBondContact CA-OD1 3.38Å; N768-N794 WeakPolarHBondContact CB-OD1 3.36Å; N768-N794 PolarHBondContact O-OD1 3.15Å; L769-N794 PolarHBondContact N-OD1 2.98Å; I770-N794 HydrophobicContact CB-CB 4.42Å; I770-N794 VanDerWaalsContact CB-OD1 3.31Å; I770-N794 WeakPolarHBondContact CB-OD1 3.47Å; I770-N794 WeakPolarHBondContact CG1-OD1 3.46Å; I770-N794 PolarHBondContact N-OD1 3.17Å; L791-N794 PolarHBondContact O-ND2 3.28Å; H792-N794 PolarHBondContact O-N 3.16Å; N794-F796 HydrophobicContact CB-CD2 3.96Å; N794-F796 HydrophobicContact CB-CE1 4.3Å; N794-F796 HydrophobicContact CB-CE2 3.52Å; N794-F796 HydrophobicContact CB-CZ 3.71Å
795	S	92.8	Very high	89.5	Confident	44 Å²	44	45.4 Å²	45.4	31%	0.308	23%	0.233	S	C	.	.			trans	-105.3	56.2	-177.5	-63.9	0	0	0	0	112.2	I770 K771 L797	I770-S795 CarbonylContact O-C 3.51Å; I770-S795 PolarHBondContact O-N 3.21Å; K771-S795 WeakPolarHBondContact CA-O 3.31Å; S795-L797 PolarHBondContact O-N 3.25Å
796	F	93.4	Very high	89.6	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	131.1	-173.4	-66.9	-65.3	0	0	0	112.8	I770 K771 I773 L791 N794 F805 V823 C825 A826 V836	I770-F796 HydrophobicContact CB-CE1 4.45Å; I770-F796 HydrophobicContact CG2-CE1 4.05Å; I770-F796 PolarHBondContact O-N 3.14Å; K771-F796 WeakPolarHBondContact O-CA 3.36Å; I773-F796 HydrophobicContact CD1-CE1 3.87Å; I773-F796 HydrophobicContact CD1-CZ 4.21Å; I773-F796 HydrophobicContact CG1-CE1 4.07Å; L791-F796 HydrophobicContact CB-CE2 4.4Å; L791-F796 HydrophobicContact CB-CZ 4.17Å; N794-F796 HydrophobicContact CB-CD2 3.96Å; N794-F796 HydrophobicContact CB-CE1 4.3Å; N794-F796 HydrophobicContact CB-CE2 3.52Å; N794-F796 HydrophobicContact CB-CZ 3.71Å; F796-F805 HydrophobicContact CD1-CE1 4.12Å; F796-F805 HydrophobicContact CE1-CE1 4.01Å; F796-F805 HydrophobicContact CE1-CZ 4.2Å; F796-F805 HydrophobicContact CZ-CE1 4.3Å; F796-F805 HydrophobicContact CZ-CZ 4.23Å; F796-V823 HydrophobicContact CD2-CG1 4.14Å; F796-V823 HydrophobicContact CE2-CG1 3.89Å; F796-C825 CarbonylContact O-C 3.59Å; F796-C825 WeakPolarHBondContact O-CA 3.42Å; F796-A826 PolarHBondContact O-N 2.72Å; F796-V836 HydrophobicContact CB-CG2 4.02Å; F796-V836 HydrophobicContact CD2-CG2 4.05Å; F796-V836 HydrophobicContact CG-CG2 4.28Å
797	L	91.4	Very high	89.6	Confident	45 Å²	45	41.5 Å²	41.5	24%	0.236	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.3	175.3	176.7	72.4	0	0	0	109.4	K771 H772 S795 T799 S827	K771-L797 HydrophobicContact CB-CB 4.46Å; K771-L797 PolarHBondContact O-N 3.41Å; H772-L797 VanDerWaalsContact CE1-CB 3.5Å; H772-L797 WeakPolarHBondContact CE1-CB 3.14Å; H772-L797 PolarHBondContact CE1-O 3.04Å; H772-L797 WeakPolarHBondContact NE2-CD2 3.48Å; S795-L797 PolarHBondContact O-N 3.25Å; L797-T799 VanDerWaalsContact C-N 3.34Å; L797-T799 HydrophobicContact CD1-CG2 3.99Å; L797-T799 HydrophobicContact CD2-CG2 4.02Å; L797-T799 HydrophobicContact CG-CG2 3.77Å; L797-T799 PolarHBondContact O-N 2.64Å; L797-T799 VanDerWaalsContact O-N 3.09Å; L797-S827 WeakPolarHBondContact CD1-OG 3.41Å
798	C	90.3	Very high	89.7	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.027	20%	0.195	C	C	.	.			trans	-89.4	68.3	-174.6	-63.6	0	0	0	0	111.6	C825 S827 P828 Q831 V839	C798-C825 HydrophobicContact CB-CB 3.72Å; C798-C825 WeakPolarHBondContact CB-SG 3.5Å; C798-C825 WeakPolarHBondContact SG-CB 3.48Å; C798-C825 CovalentContact SG-SG 2.02Å; C798-C825 PolarHBondContact SG-SG 3.23Å; C798-S827 PolarHBondContact N-O 3.26Å; C798-P828 WeakPolarHBondContact O-CD 3.12Å; C798-Q831 HydrophobicContact CB-CB 4.45Å; C798-V839 HydrophobicContact CB-CG2 4.47Å
799	T	87.8	Confident	89.7	Confident	40 Å²	40	32.2 Å²	32.2	25%	0.245	18%	0.178	C	C	.	.	S	Bend	trans	-103.9	178.8	172.6	53.7	0	0	0	0	110.5	L797 N801 A802 P828 L841	L797-T799 VanDerWaalsContact C-N 3.34Å; L797-T799 HydrophobicContact CD1-CG2 3.99Å; L797-T799 HydrophobicContact CD2-CG2 4.02Å; L797-T799 HydrophobicContact CG-CG2 3.77Å; L797-T799 PolarHBondContact O-N 2.64Å; L797-T799 VanDerWaalsContact O-N 3.09Å; T799-N801 PolarHBondContact O-N 2.84Å; T799-A802 WeakPolarHBondContact O-CB 3.44Å; T799-A802 PolarHBondContact O-N 3.19Å; T799-P828 HydrophobicContact CG2-CG 4.11Å; T799-L841 WeakPolarHBondContact O-CD1 3.35Å
800	C	83.9	Confident	89.3	Confident	65 Å²	65	36.1 Å²	36.1	44%	0.439	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-54.3	-24.7	176.1	-67.4	0	0	0	0	114.2	A802 S803 C844	C800-A802 PolarHBondContact O-N 3.21Å; C800-S803 VanDerWaalsContact O-CB 3.26Å; C800-S803 WeakPolarHBondContact O-CB 3.43Å; C800-S803 PolarHBondContact O-N 3.36Å; C800-S803 PolarHBondContact O-OG 3.4Å; C800-C844 WeakPolarHBondContact CA-SG 3.43Å; C800-C844 HydrophobicContact CB-CB 3.67Å; C800-C844 WeakPolarHBondContact CB-SG 3.11Å; C800-C844 WeakPolarHBondContact SG-CB 3.21Å; C800-C844 CovalentContact SG-SG 2.03Å; C800-C844 PolarHBondContact SG-SG 2.96Å
801	N	83.6	Confident	88.9	Confident	134 Å²	134	43.4 Å²	43.4	72%	0.717	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-67.9	-20.1	175.7	-66.1	-3.7	0	0	0	113	T799 S803	T799-N801 PolarHBondContact O-N 2.84Å; N801-S803 VanDerWaalsContact C-N 3.31Å
802	A	86.1	Confident	88.5	Confident	7 Å²	7	44.1 Å²	44.1	6%	0.058	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-87	3	176.8	0	0	0	0	0	113.5	T799 C800 W804 F805 I806	T799-A802 WeakPolarHBondContact O-CB 3.44Å; T799-A802 PolarHBondContact O-N 3.19Å; C800-A802 PolarHBondContact O-N 3.21Å; A802-W804 VanDerWaalsContact C-N 3.35Å; A802-W804 PolarHBondContact O-N 2.81Å; A802-F805 PolarHBondContact O-N 3.29Å; A802-F805 VanDerWaalsContact O-N 3.09Å; A802-I806 HydrophobicContact CB-CD1 4.16Å; A802-I806 WeakPolarHBondContact O-CG1 3.46Å; A802-I806 PolarHBondContact O-N 2.96Å
803	S	86.7	Confident	88.1	Confident	50 Å²	50	49.2 Å²	49.2	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-54.6	-45.3	-176.9	54.4	0	0	0	0	113.4	C800 N801 T807	C800-S803 VanDerWaalsContact O-CB 3.26Å; C800-S803 WeakPolarHBondContact O-CB 3.43Å; C800-S803 PolarHBondContact O-N 3.36Å; C800-S803 PolarHBondContact O-OG 3.4Å; N801-S803 VanDerWaalsContact C-N 3.31Å; S803-T807 WeakPolarHBondContact O-CB 3.45Å; S803-T807 PolarHBondContact O-N 3.29Å; S803-T807 PolarHBondContact O-OG1 3.06Å
804	W	89.3	Confident	87.7	Confident	52 Å²	52	45.2 Å²	45.2	20%	0.197	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-49.2	174.6	172.7	85.2	0	0	0	111.6	I773 E774 Q775 F778 A802 I806 T807 W808	I773-W804 HydrophobicContact CG2-CZ3 4.2Å; E774-W804 VanDerWaalsContact C-CZ3 3.44Å; Q775-W804 VanDerWaalsContact CA-CZ2 3.49Å; Q775-W804 HydrophobicContact CB-CD2 3.61Å; Q775-W804 HydrophobicContact CB-CE3 4.18Å; Q775-W804 HydrophobicContact CB-CG 3.94Å; Q775-W804 HydrophobicContact CB-CH2 4.39Å; Q775-W804 HydrophobicContact CB-CZ2 3.82Å; Q775-W804 VanDerWaalsContact CD-NE1 3.33Å; Q775-W804 HydrophobicContact CG-CD2 4.29Å; Q775-W804 HydrophobicContact CG-CZ2 3.84Å; F778-W804 HydrophobicContact CB-CH2 3.85Å; A802-W804 VanDerWaalsContact C-N 3.35Å; A802-W804 PolarHBondContact O-N 2.81Å; W804-I806 VanDerWaalsContact C-N 3.35Å; W804-I806 PolarHBondContact O-N 2.76Å; W804-T807 PolarHBondContact O-N 3.09Å; W804-W808 HydrophobicContact CD2-CB 4.4Å; W804-W808 HydrophobicContact CH2-CB 4.29Å; W804-W808 HydrophobicContact CH2-CD2 4.31Å; W804-W808 HydrophobicContact CH2-CG 4.02Å; W804-W808 HydrophobicContact CZ2-CB 3.99Å; W804-W808 AromaticContact CZ2-CD1 3.81Å; W804-W808 AromaticContact CZ2-CG 3.84Å; W804-W808 HydrophobicContact CZ2-CG 3.84Å; W804-W808 VanDerWaalsContact O-CB 3.25Å; W804-W808 WeakPolarHBondContact O-CB 3.48Å; W804-W808 PolarHBondContact O-N 2.8Å
805	F	90.4	Very high	87.2	Confident	5 Å²	5	48.8 Å²	48.8	2%	0.022	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-42.2	-175.8	179.1	-123.2	0	0	0	112.1	I773 L791 F796 A802 W808 L809 V836	I773-F805 HydrophobicContact CB-CD2 3.88Å; I773-F805 HydrophobicContact CB-CE2 4.08Å; I773-F805 HydrophobicContact CB-CG 4.31Å; I773-F805 HydrophobicContact CD1-CD2 4.43Å; I773-F805 HydrophobicContact CD1-CE2 3.74Å; I773-F805 HydrophobicContact CD1-CZ 3.88Å; I773-F805 HydrophobicContact CG1-CE2 4.35Å; I773-F805 HydrophobicContact CG2-CD2 4.24Å; I773-F805 HydrophobicContact CG2-CE2 4.42Å; L791-F805 HydrophobicContact CD1-CE2 4.05Å; L791-F805 HydrophobicContact CD1-CZ 3.83Å; F796-F805 HydrophobicContact CD1-CE1 4.12Å; F796-F805 HydrophobicContact CE1-CE1 4.01Å; F796-F805 HydrophobicContact CE1-CZ 4.2Å; F796-F805 HydrophobicContact CZ-CE1 4.3Å; F796-F805 HydrophobicContact CZ-CZ 4.23Å; A802-F805 PolarHBondContact O-N 3.29Å; A802-F805 VanDerWaalsContact O-N 3.09Å; F805-W808 AromaticContact CD2-CE3 3.87Å; F805-W808 HydrophobicContact CD2-CE3 3.87Å; F805-W808 HydrophobicContact CD2-CZ3 4.26Å; F805-W808 AromaticContact CE2-CE3 3.9Å; F805-W808 HydrophobicContact CE2-CE3 3.9Å; F805-W808 AromaticContact CE2-CZ3 3.81Å; F805-W808 HydrophobicContact CE2-CZ3 3.81Å; F805-W808 PolarHBondContact O-N 2.79Å; F805-L809 HydrophobicContact CD1-CD1 4.11Å; F805-L809 HydrophobicContact CD2-CG 4.39Å; F805-L809 HydrophobicContact CE1-CD1 3.68Å; F805-L809 HydrophobicContact CE1-CG 4.44Å; F805-L809 HydrophobicContact CE2-CD1 4.16Å; F805-L809 HydrophobicContact CE2-CD2 4.24Å; F805-L809 HydrophobicContact CE2-CG 4.04Å; F805-L809 HydrophobicContact CZ-CD1 3.69Å; F805-L809 HydrophobicContact CZ-CD2 4.25Å; F805-L809 HydrophobicContact CZ-CG 4.06Å; F805-L809 WeakPolarHBondContact O-CB 3.35Å; F805-L809 WeakPolarHBondContact O-CG 3.36Å; F805-L809 PolarHBondContact O-N 2.98Å; F805-V836 HydrophobicContact CD1-CG1 3.98Å; F805-V836 HydrophobicContact CE1-CG1 3.87Å
806	I	88.3	Confident	86.8	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-45.1	176.3	-64.7	164.2	0	0	0	110.7	A802 W804 W808 L809 N810 V836 V839 L841	A802-I806 HydrophobicContact CB-CD1 4.16Å; A802-I806 WeakPolarHBondContact O-CG1 3.46Å; A802-I806 PolarHBondContact O-N 2.96Å; W804-I806 VanDerWaalsContact C-N 3.35Å; W804-I806 PolarHBondContact O-N 2.76Å; I806-W808 VanDerWaalsContact C-N 3.28Å; I806-W808 PolarHBondContact O-N 3.02Å; I806-L809 PolarHBondContact O-N 2.81Å; I806-N810 PolarHBondContact O-N 3.04Å; I806-V836 HydrophobicContact CG1-CG1 3.75Å; I806-V839 HydrophobicContact CD1-CB 4.11Å; I806-V839 HydrophobicContact CD1-CG1 4.37Å; I806-L841 HydrophobicContact CD1-CD1 3.53Å; I806-L841 HydrophobicContact CD1-CG 4.13Å
807	T	86.8	Confident	86	Confident	59 Å²	59	48.5 Å²	48.5	36%	0.362	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-40.4	176.5	-56.2	0	0	0	0	111.4	S803 W804 N810 K811	S803-T807 WeakPolarHBondContact O-CB 3.45Å; S803-T807 PolarHBondContact O-N 3.29Å; S803-T807 PolarHBondContact O-OG1 3.06Å; W804-T807 PolarHBondContact O-N 3.09Å; T807-N810 PolarHBondContact O-N 3.3Å; T807-K811 HydrophobicContact CG2-CD 4.35Å; T807-K811 WeakPolarHBondContact O-CG 3.46Å; T807-K811 PolarHBondContact O-N 3.16Å; T807-K811 VanDerWaalsContact O-N 3.17Å
808	W	89.2	Confident	85.3	Confident	16 Å²	16	50 Å²	50	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-45.5	176.7	173.6	85	0	0	0	111.6	V783 L789 W804 F805 I806 N810 K811 T812 I816	V783-W808 HydrophobicContact CB-CZ2 4.49Å; V783-W808 HydrophobicContact CG1-CH2 4.15Å; V783-W808 HydrophobicContact CG1-CZ2 3.38Å; L789-W808 HydrophobicContact CD2-CH2 3.72Å; L789-W808 HydrophobicContact CD2-CZ3 4.45Å; W804-W808 HydrophobicContact CD2-CB 4.4Å; W804-W808 HydrophobicContact CH2-CB 4.29Å; W804-W808 HydrophobicContact CH2-CD2 4.31Å; W804-W808 HydrophobicContact CH2-CG 4.02Å; W804-W808 HydrophobicContact CZ2-CB 3.99Å; W804-W808 AromaticContact CZ2-CD1 3.81Å; W804-W808 AromaticContact CZ2-CG 3.84Å; W804-W808 HydrophobicContact CZ2-CG 3.84Å; W804-W808 VanDerWaalsContact O-CB 3.25Å; W804-W808 WeakPolarHBondContact O-CB 3.48Å; W804-W808 PolarHBondContact O-N 2.8Å; F805-W808 AromaticContact CD2-CE3 3.87Å; F805-W808 HydrophobicContact CD2-CE3 3.87Å; F805-W808 HydrophobicContact CD2-CZ3 4.26Å; F805-W808 AromaticContact CE2-CE3 3.9Å; F805-W808 HydrophobicContact CE2-CE3 3.9Å; F805-W808 AromaticContact CE2-CZ3 3.81Å; F805-W808 HydrophobicContact CE2-CZ3 3.81Å; F805-W808 PolarHBondContact O-N 2.79Å; I806-W808 VanDerWaalsContact C-N 3.28Å; I806-W808 PolarHBondContact O-N 3.02Å; W808-N810 VanDerWaalsContact C-N 3.25Å; W808-N810 PolarHBondContact O-N 2.79Å; W808-K811 PolarHBondContact O-N 3.36Å; W808-T812 HydrophobicContact CH2-CG2 4.17Å; W808-T812 HydrophobicContact CZ2-CG2 4.09Å; W808-T812 WeakPolarHBondContact CZ2-OG1 3.48Å; W808-T812 HydrophobicContact CZ3-CG2 4.48Å; W808-T812 WeakPolarHBondContact O-CB 3.4Å; W808-T812 PolarHBondContact O-N 2.84Å; W808-I816 HydrophobicContact CH2-CD1 3.97Å; W808-I816 HydrophobicContact CZ3-CD1 4.11Å
809	L	88.3	Confident	84.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-39.2	174.3	-77.9	173.8	0	0	0	111.9	K35 F805 I806 I816 L819 V836 V837	K35-L809 VanDerWaalsContact CD-O 3.28Å; K35-L809 WeakPolarHBondContact CD-O 3.38Å; K35-L809 PolarHBondContact NZ-O 3.29Å; F805-L809 HydrophobicContact CD1-CD1 4.11Å; F805-L809 HydrophobicContact CD2-CG 4.39Å; F805-L809 HydrophobicContact CE1-CD1 3.68Å; F805-L809 HydrophobicContact CE1-CG 4.44Å; F805-L809 HydrophobicContact CE2-CD1 4.16Å; F805-L809 HydrophobicContact CE2-CD2 4.24Å; F805-L809 HydrophobicContact CE2-CG 4.04Å; F805-L809 HydrophobicContact CZ-CD1 3.69Å; F805-L809 HydrophobicContact CZ-CD2 4.25Å; F805-L809 HydrophobicContact CZ-CG 4.06Å; F805-L809 WeakPolarHBondContact O-CB 3.35Å; F805-L809 WeakPolarHBondContact O-CG 3.36Å; F805-L809 PolarHBondContact O-N 2.98Å; I806-L809 PolarHBondContact O-N 2.81Å; L809-I816 HydrophobicContact CD2-CD1 3.48Å; L809-I816 VanDerWaalsContact CD2-CD1 3.48Å; L809-L819 HydrophobicContact CD1-CD1 4.35Å; L809-L819 HydrophobicContact CD2-CD1 3.98Å; L809-V836 HydrophobicContact CD1-CB 4.28Å; L809-V836 HydrophobicContact CD1-CG1 3.76Å; L809-V837 HydrophobicContact CB-CG2 4.49Å
810	N	84.4	Confident	84.3	Confident	83 Å²	83	49.1 Å²	49.1	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-68.4	-31.9	176.7	-81.7	-29.8	0	0	0	113.2	K35 I806 T807 W808 V837	K35-N810 PolarHBondContact NZ-O 2.79Å; I806-N810 PolarHBondContact O-N 3.04Å; T807-N810 PolarHBondContact O-N 3.3Å; W808-N810 VanDerWaalsContact C-N 3.25Å; W808-N810 PolarHBondContact O-N 2.79Å; N810-V837 WeakPolarHBondContact OD1-CG2 3.45Å
811	K	84.5	Confident	84	Confident	169 Å²	169	47.8 Å²	47.8	74%	0.735	26%	0.255	S	S	*	.	H	α-helix	trans	-95.3	-24	-177.8	-67.9	-179.6	179.9	-179.3	0	115.5	T807 W808	T807-K811 HydrophobicContact CG2-CD 4.35Å; T807-K811 WeakPolarHBondContact O-CG 3.46Å; T807-K811 PolarHBondContact O-N 3.16Å; T807-K811 VanDerWaalsContact O-N 3.17Å; W808-K811 PolarHBondContact O-N 3.36Å
812	T	84.9	Confident	84	Confident	15 Å²	15	42 Å²	42	9%	0.092	22%	0.224	C	C	.	.			trans	-65.7	146.2	-170.9	-171.7	0	0	0	0	113.9	K35 W808 V814 I816	K35-T812 WeakPolarHBondContact CE-O 3.44Å; K35-T812 PolarHBondContact NZ-O 3.29Å; W808-T812 HydrophobicContact CH2-CG2 4.17Å; W808-T812 HydrophobicContact CZ2-CG2 4.09Å; W808-T812 WeakPolarHBondContact CZ2-OG1 3.48Å; W808-T812 HydrophobicContact CZ3-CG2 4.48Å; W808-T812 WeakPolarHBondContact O-CB 3.4Å; W808-T812 PolarHBondContact O-N 2.84Å; T812-V814 WeakPolarHBondContact OG1-CG2 3.33Å; T812-V814 PolarHBondContact OG1-N 3.14Å; T812-I816 HydrophobicContact CG2-CD1 4.22Å
813	T	82.4	Confident	84.1	Confident	125 Å²	125	41.6 Å²	41.6	77%	0.767	22%	0.221	S	C	*	.			trans	-97.6	-1.7	173.7	53.2	0	0	0	0	112.9
814	V	83.7	Confident	84.3	Confident	14 Å²	14	41.3 Å²	41.3	9%	0.085	22%	0.217	C	C	.	.	S	Bend	trans	-67.9	138.3	-178.8	-180	0	0	0	0	110.5	V783 M786 L789 T812 I816	V783-V814 HydrophobicContact CG1-CG2 4.04Å; V783-V814 WeakPolarHBondContact O-CG2 3.44Å; M786-V814 HydrophobicContact CB-CG1 4.21Å; M786-V814 HydrophobicContact CB-CG2 4.46Å; L789-V814 HydrophobicContact CB-CG1 3.83Å; T812-V814 WeakPolarHBondContact OG1-CG2 3.33Å; T812-V814 PolarHBondContact OG1-N 3.14Å; V814-I816 PolarHBondContact O-N 2.89Å; V814-I816 VanDerWaalsContact O-N 3.14Å
815	T	82.3	Confident	84.4	Confident	87 Å²	87	38.9 Å²	38.9	53%	0.534	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-71	109.5	175.9	-48.8	0	0	0	0	110	E787 K788 L789 P817	E787-T815 VanDerWaalsContact O-CB 3.31Å; E787-T815 WeakPolarHBondContact O-CB 3.5Å; E787-T815 PolarHBondContact O-OG1 3.48Å; K788-T815 WeakPolarHBondContact CA-O 3.4Å; L789-T815 PolarHBondContact N-O 3.1Å; L789-T815 VanDerWaalsContact N-O 3.08Å; T815-P817 WeakPolarHBondContact O-CD 3.31Å
816	I	85.3	Confident	84.4	Confident	18 Å²	18	40.6 Å²	40.6	9%	0.092	22%	0.223	C	C	.	.			trans	-112.9	97.3	174.4	-56.9	173.2	0	0	0	108.5	L789 W808 L809 T812 V814 L819	L789-I816 HydrophobicContact CB-CG1 4.32Å; L789-I816 HydrophobicContact CD2-CD1 4.35Å; L789-I816 HydrophobicContact CD2-CG1 4.46Å; L789-I816 WeakPolarHBondContact O-CA 3.4Å; W808-I816 HydrophobicContact CH2-CD1 3.97Å; W808-I816 HydrophobicContact CZ3-CD1 4.11Å; L809-I816 HydrophobicContact CD2-CD1 3.48Å; L809-I816 VanDerWaalsContact CD2-CD1 3.48Å; T812-I816 HydrophobicContact CG2-CD1 4.22Å; V814-I816 PolarHBondContact O-N 2.89Å; V814-I816 VanDerWaalsContact O-N 3.14Å; I816-L819 HydrophobicContact CB-CB 4.43Å; I816-L819 HydrophobicContact CG2-CB 4.19Å; I816-L819 HydrophobicContact CG2-CD1 4.27Å; I816-L819 WeakPolarHBondContact O-CB 3.31Å
817	P	77.6	Confident	84.3	Confident	22 Å²	22	42.3 Å²	42.3	14%	0.143	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	146.2	179.9	-19.5	30.8	0	0	0	111.7	K788 L790 T815 L819	K788-P817 HydrophobicContact CD-CG 4.38Å; K788-P817 HydrophobicContact CG-CG 4.28Å; L790-P817 HydrophobicContact CG-CG 4.47Å; T815-P817 WeakPolarHBondContact O-CD 3.31Å; P817-L819 PolarHBondContact O-N 3.09Å
818	R	75.4	Confident	84.2	Confident	78 Å²	78	42.5 Å²	42.5	29%	0.294	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	23	176.7	-43.5	-175.4	78	175.9	3.4	114.5	H792 G820 I821 D822	H792-R818 HydrophobicContact CB-CB 4.49Å; R818-G820 VanDerWaalsContact C-N 3.31Å; R818-G820 PolarHBondContact O-N 3.14Å; R818-I821 PolarHBondContact O-N 3.16Å; R818-D822 HydrophobicContact CB-CB 4.22Å; R818-D822 IonicContact CZ-OD2 2.85Å; R818-D822 IonicContact NE-OD2 3.72Å; R818-D822 PolarHBondContact NE-OD2 3.17Å; R818-D822 IonicContact NH1-OD2 2.82Å; R818-D822 PolarHBondContact NH1-OD2 3.31Å; R818-D822 IonicContact NH2-OD2 3.1Å; R818-D822 PolarHBondContact NH2-OD2 3.23Å; R818-D822 PolarHBondContact O-N 3.41Å
819	L	83.1	Confident	84	Confident	17 Å²	17	44.9 Å²	44.9	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-43.2	177.8	-179.7	60.9	0	0	0	112.3	K35 L809 I816 P817 I821 V823 V837	K35-L819 HydrophobicContact CB-CD2 4.17Å; K35-L819 HydrophobicContact CD-CD2 4.45Å; L809-L819 HydrophobicContact CD1-CD1 4.35Å; L809-L819 HydrophobicContact CD2-CD1 3.98Å; I816-L819 HydrophobicContact CB-CB 4.43Å; I816-L819 HydrophobicContact CG2-CB 4.19Å; I816-L819 HydrophobicContact CG2-CD1 4.27Å; I816-L819 WeakPolarHBondContact O-CB 3.31Å; P817-L819 PolarHBondContact O-N 3.09Å; L819-I821 PolarHBondContact O-N 3.29Å; L819-V823 HydrophobicContact CD1-CB 4.08Å; L819-V823 HydrophobicContact CD1-CG1 4.16Å; L819-V823 HydrophobicContact CD1-CG2 4.15Å; L819-V837 HydrophobicContact CD1-CB 4.45Å; L819-V837 HydrophobicContact CD2-CG2 4.47Å; L819-V837 HydrophobicContact CG-CB 4.47Å; L819-V837 HydrophobicContact CG-CG1 4.49Å
820	G	75	Confident	83.6	Confident	8 Å²	8	51 Å²	51	8%	0.082	31%	0.305	C	S	.	.	H	α-helix	trans	-76.5	7.9	179.9	0	0	0	0	0	115.7	R818 L835	R818-G820 VanDerWaalsContact C-N 3.31Å; R818-G820 PolarHBondContact O-N 3.14Å; G820-L835 VanDerWaalsContact O-CD1 3.24Å; G820-L835 WeakPolarHBondContact O-CD1 3.46Å; G820-L835 WeakPolarHBondContact O-CD2 3.42Å
821	I	75.9	Confident	83.5	Confident	36 Å²	36	49.8 Å²	49.8	19%	0.185	30%	0.296	C	S	.	.	H	α-helix	trans	-140.1	-59.1	-177.6	-60.4	166.3	0	0	0	113.1	P38 R57 R818 L819 T824	P38-I821 HydrophobicContact CB-CD1 3.74Å; P38-I821 HydrophobicContact CB-CG1 3.49Å; P38-I821 VanDerWaalsContact CB-CG1 3.49Å; P38-I821 VanDerWaalsContact O-CD1 3.22Å; P38-I821 WeakPolarHBondContact O-CD1 3.4Å; R57-I821 HydrophobicContact CB-CD1 3.5Å; R57-I821 VanDerWaalsContact CB-CD1 3.5Å; R57-I821 HydrophobicContact CG-CD1 3.53Å; R818-I821 PolarHBondContact O-N 3.16Å; L819-I821 PolarHBondContact O-N 3.29Å; I821-T824 VanDerWaalsContact O-CG2 3.28Å; I821-T824 WeakPolarHBondContact O-CG2 3.46Å
822	D	83.9	Confident	83.6	Confident	12 Å²	12	49 Å²	49	6%	0.064	29%	0.293	C	S	.	.	H	α-helix	trans	-102.7	0.4	-165.9	-83.9	-26.6	0	0	0	113.8	H792 K793 R818 T824	H792-D822 HydrophobicContact CB-CB 3.68Å; K793-D822 HydrophobicContact CD-CB 4.47Å; K793-D822 VanDerWaalsContact CE-OD1 3.31Å; K793-D822 WeakPolarHBondContact CE-OD1 3.4Å; K793-D822 PolarHBondContact N-O 3.07Å; K793-D822 IonicContact NZ-OD1 2.65Å; K793-D822 PolarHBondContact NZ-OD1 3.27Å; K793-D822 IonicContact NZ-OD2 4Å; R818-D822 HydrophobicContact CB-CB 4.22Å; R818-D822 IonicContact CZ-OD2 2.85Å; R818-D822 IonicContact NE-OD2 3.72Å; R818-D822 PolarHBondContact NE-OD2 3.17Å; R818-D822 IonicContact NH1-OD2 2.82Å; R818-D822 PolarHBondContact NH1-OD2 3.31Å; R818-D822 IonicContact NH2-OD2 3.1Å; R818-D822 PolarHBondContact NH2-OD2 3.23Å; R818-D822 PolarHBondContact O-N 3.41Å; D822-T824 PolarHBondContact O-N 2.78Å
823	V	89.3	Confident	83.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.314	C	S	.	.			trans	-96.1	80.4	170.3	-175.1	0	0	0	0	107.5	H792 F796 L819 V836	H792-V823 HydrophobicContact CB-CG2 4.26Å; F796-V823 HydrophobicContact CD2-CG1 4.14Å; F796-V823 HydrophobicContact CE2-CG1 3.89Å; L819-V823 HydrophobicContact CD1-CB 4.08Å; L819-V823 HydrophobicContact CD1-CG1 4.16Å; L819-V823 HydrophobicContact CD1-CG2 4.15Å; V823-V836 HydrophobicContact CG1-CB 4.09Å; V823-V836 HydrophobicContact CG1-CG2 3.9Å; V823-V836 PolarHBondContact O-N 2.93Å
824	T	90.4	Very high	83.8	Confident	43 Å²	43	49.5 Å²	49.5	26%	0.264	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-112.1	156	-175.4	51.4	0	0	0	0	112.3	I821 D822 G833 H834 L835	I821-T824 VanDerWaalsContact O-CG2 3.28Å; I821-T824 WeakPolarHBondContact O-CG2 3.46Å; D822-T824 PolarHBondContact O-N 2.78Å; T824-G833 WeakPolarHBondContact CG2-O 3.19Å; T824-H834 CarbonylContact C-O 3.29Å; T824-H834 VanDerWaalsContact CA-O 3.23Å; T824-H834 WeakPolarHBondContact CA-O 3.24Å; T824-H834 WeakPolarHBondContact CB-O 3.47Å; T824-L835 HydrophobicContact CG2-CD2 4.08Å
825	C	91.1	Very high	83.9	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.8	172.9	-59.3	0	0	0	0	110.1	F796 C798 Q831 K832 G833 H834	F796-C825 CarbonylContact O-C 3.59Å; F796-C825 WeakPolarHBondContact O-CA 3.42Å; C798-C825 HydrophobicContact CB-CB 3.72Å; C798-C825 WeakPolarHBondContact CB-SG 3.5Å; C798-C825 WeakPolarHBondContact SG-CB 3.48Å; C798-C825 CovalentContact SG-SG 2.02Å; C798-C825 PolarHBondContact SG-SG 3.23Å; C825-Q831 HydrophobicContact CB-CB 4.46Å; C825-Q831 WeakPolarHBondContact CB-O 3.38Å; C825-K832 CarbonylContact O-C 3.42Å; C825-K832 WeakPolarHBondContact O-CA 3.29Å; C825-G833 PolarHBondContact O-N 3.19Å; C825-H834 PolarHBondContact N-O 3.2Å
826	A	90.9	Very high	84.2	Confident	40 Å²	40	46.4 Å²	46.4	33%	0.331	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-25.7	173.4	0	0	0	0	0	112.7	F796 K832	F796-A826 PolarHBondContact O-N 2.72Å; A826-K832 WeakPolarHBondContact O-CG 3.3Å
827	S	86.8	Confident	84.3	Confident	44 Å²	44	45.8 Å²	45.8	31%	0.308	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	165.3	-175.7	41.7	0	0	0	0	110.4	L797 C798	L797-S827 WeakPolarHBondContact CD1-OG 3.41Å; C798-S827 PolarHBondContact N-O 3.26Å
828	P	84.4	Confident	84.5	Confident	63 Å²	63	47.6 Å²	47.6	41%	0.409	29%	0.289	S	S	.	.	S	Bend	cis	-93.1	148.5	-0.6	35.5	-32.6	0	0	0	114.5	C798 T799 V830 Q831	C798-P828 WeakPolarHBondContact O-CD 3.12Å; T799-P828 HydrophobicContact CG2-CG 4.11Å; P828-V830 PolarHBondContact O-N 3.26Å; P828-V830 VanDerWaalsContact O-N 3.14Å; P828-Q831 PolarHBondContact O-N 2.85Å
829	G	83.9	Confident	85	Confident	67 Å²	67	44.2 Å²	44.2	69%	0.691	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	49.3	-113.6	165.5	0	0	0	0	0	114.6	Q831 K832	G829-Q831 PolarHBondContact O-N 3.07Å; G829-K832 VanDerWaalsContact O-CB 3.24Å; G829-K832 WeakPolarHBondContact O-CB 3.36Å; G829-K832 PolarHBondContact O-N 3.35Å; G829-K832 VanDerWaalsContact O-N 3.11Å
830	V	80.9	Confident	84.7	Confident	128 Å²	128	48.3 Å²	48.3	78%	0.776	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.2	-30.1	-178	-177.4	0	0	0	0	112.7	P828 K832 H834	P828-V830 PolarHBondContact O-N 3.26Å; P828-V830 VanDerWaalsContact O-N 3.14Å; V830-K832 PolarHBondContact O-N 3.34Å; V830-H834 PolarHBondContact O-CD2 3.44Å; V830-H834 VanDerWaalsContact O-CD2 3.23Å
831	Q	82.5	Confident	84.7	Confident	57 Å²	57	49.5 Å²	49.5	27%	0.266	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-75	-12.8	-179.9	-62	-62.7	-18.5	0	0	112.6	C798 C825 P828 G829 G833 H834 V839	C798-Q831 HydrophobicContact CB-CB 4.45Å; C825-Q831 HydrophobicContact CB-CB 4.46Å; C825-Q831 WeakPolarHBondContact CB-O 3.38Å; P828-Q831 PolarHBondContact O-N 2.85Å; G829-Q831 PolarHBondContact O-N 3.07Å; Q831-G833 PolarHBondContact O-N 2.67Å; Q831-H834 WeakPolarHBondContact O-CB 3.29Å; Q831-H834 PolarHBondContact O-N 3.04Å; Q831-H834 VanDerWaalsContact O-N 3.07Å; Q831-V839 VanDerWaalsContact OE1-CG2 3.32Å
832	K	86.9	Confident	84.4	Confident	154 Å²	154	53.1 Å²	53.1	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	124.5	-178.8	-178	175.4	-179.3	-173.2	0	110.8	C825 A826 G829 V830 H834	C825-K832 CarbonylContact O-C 3.42Å; C825-K832 WeakPolarHBondContact O-CA 3.29Å; A826-K832 WeakPolarHBondContact O-CG 3.3Å; G829-K832 VanDerWaalsContact O-CB 3.24Å; G829-K832 WeakPolarHBondContact O-CB 3.36Å; G829-K832 PolarHBondContact O-N 3.35Å; G829-K832 VanDerWaalsContact O-N 3.11Å; V830-K832 PolarHBondContact O-N 3.34Å; K832-H834 VanDerWaalsContact C-N 3.32Å
833	G	83.9	Confident	83.6	Confident	52 Å²	52	57.1 Å²	57.1	54%	0.536	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-12	-178.7	0	0	0	0	0	114.9	T824 C825 Q831	T824-G833 WeakPolarHBondContact CG2-O 3.19Å; C825-G833 PolarHBondContact O-N 3.19Å; Q831-G833 PolarHBondContact O-N 2.67Å
834	H	86.8	Confident	82.7	Confident	98 Å²	98	58.3 Å²	58.3	45%	0.454	36%	0.362	S	S	.	.	S	Bend	trans	-71.6	151.8	173.3	-79.6	-94.5	0	0	0	111.6	T824 C825 V830 Q831 K832	T824-H834 CarbonylContact C-O 3.29Å; T824-H834 VanDerWaalsContact CA-O 3.23Å; T824-H834 WeakPolarHBondContact CA-O 3.24Å; T824-H834 WeakPolarHBondContact CB-O 3.47Å; C825-H834 PolarHBondContact N-O 3.2Å; V830-H834 PolarHBondContact O-CD2 3.44Å; V830-H834 VanDerWaalsContact O-CD2 3.23Å; Q831-H834 WeakPolarHBondContact O-CB 3.29Å; Q831-H834 PolarHBondContact O-N 3.04Å; Q831-H834 VanDerWaalsContact O-N 3.07Å; K832-H834 VanDerWaalsContact C-N 3.32Å
835	L	86.4	Confident	81.6	Confident	34 Å²	34	63 Å²	63	18%	0.178	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-69	134.2	176	-59.2	169.5	0	0	0	109.8	G820 T824 V837 S838 V839	G820-L835 VanDerWaalsContact O-CD1 3.24Å; G820-L835 WeakPolarHBondContact O-CD1 3.46Å; G820-L835 WeakPolarHBondContact O-CD2 3.42Å; T824-L835 HydrophobicContact CG2-CD2 4.08Å; L835-V837 HydrophobicContact CB-CG1 4.22Å; L835-V837 PolarHBondContact O-N 3.18Å; L835-S838 PolarHBondContact O-N 3.12Å; L835-S838 VanDerWaalsContact O-N 3.08Å; L835-S838 PolarHBondContact O-OG 3.25Å; L835-V839 WeakPolarHBondContact O-CG2 3.41Å
836	V	88.4	Confident	80.4	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-58.2	-38.5	-179.5	179.7	0	0	0	0	111.1	F796 F805 I806 L809 V823 S838 V839	F796-V836 HydrophobicContact CB-CG2 4.02Å; F796-V836 HydrophobicContact CD2-CG2 4.05Å; F796-V836 HydrophobicContact CG-CG2 4.28Å; F805-V836 HydrophobicContact CD1-CG1 3.98Å; F805-V836 HydrophobicContact CE1-CG1 3.87Å; I806-V836 HydrophobicContact CG1-CG1 3.75Å; L809-V836 HydrophobicContact CD1-CB 4.28Å; L809-V836 HydrophobicContact CD1-CG1 3.76Å; V823-V836 HydrophobicContact CG1-CB 4.09Å; V823-V836 HydrophobicContact CG1-CG2 3.9Å; V823-V836 PolarHBondContact O-N 2.93Å; V836-S838 VanDerWaalsContact C-N 3.28Å; V836-S838 PolarHBondContact O-N 2.85Å; V836-V839 PolarHBondContact O-N 3.2Å
837	V	86.2	Confident	79.2	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.03	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-66.9	-24.8	-179.1	73.1	0	0	0	0	113.7	K35 T36 L809 N810 L819 L835	K35-V837 HydrophobicContact CB-CG2 4.23Å; T36-V837 HydrophobicContact CG2-CG1 4.29Å; L809-V837 HydrophobicContact CB-CG2 4.49Å; N810-V837 WeakPolarHBondContact OD1-CG2 3.45Å; L819-V837 HydrophobicContact CD1-CB 4.45Å; L819-V837 HydrophobicContact CD2-CG2 4.47Å; L819-V837 HydrophobicContact CG-CB 4.47Å; L819-V837 HydrophobicContact CG-CG1 4.49Å; L835-V837 HydrophobicContact CB-CG1 4.22Å; L835-V837 PolarHBondContact O-N 3.18Å
838	S	83.5	Confident	78.5	Confident	60 Å²	60	74.3 Å²	74.3	42%	0.42	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-94.2	-4.3	-178	65.3	0	0	0	0	114.2	L835 V836 D840	L835-S838 PolarHBondContact O-N 3.12Å; L835-S838 VanDerWaalsContact O-N 3.08Å; L835-S838 PolarHBondContact O-OG 3.25Å; V836-S838 VanDerWaalsContact C-N 3.28Å; V836-S838 PolarHBondContact O-N 2.85Å; S838-D840 PolarHBondContact O-N 2.78Å
839	V	83.9	Confident	78.2	Confident	8 Å²	8	76.2 Å²	76.2	5%	0.048	43%	0.434	C	S	.	.			trans	-75.9	116.5	-179.6	-178.8	0	0	0	0	109.5	C798 I806 Q831 L835 V836 L841	C798-V839 HydrophobicContact CB-CG2 4.47Å; I806-V839 HydrophobicContact CD1-CB 4.11Å; I806-V839 HydrophobicContact CD1-CG1 4.37Å; Q831-V839 VanDerWaalsContact OE1-CG2 3.32Å; L835-V839 WeakPolarHBondContact O-CG2 3.41Å; V836-V839 PolarHBondContact O-N 3.2Å; V839-L841 HydrophobicContact CG1-CD2 3.96Å; V839-L841 HydrophobicContact CG1-CG 4.06Å
840	D	77.4	Confident	77.9	Confident	103 Å²	103	76.3 Å²	76.3	55%	0.551	42%	0.424	S	S	*	.			trans	-86.6	120.4	171.3	-166.7	-8.6	0	0	0	110.3	S838 Q842	S838-D840 PolarHBondContact O-N 2.78Å; D840-Q842 WeakPolarHBondContact OD1-CB 3.48Å; D840-Q842 WeakPolarHBondContact OD1-CG 3.27Å; D840-Q842 PolarHBondContact OD1-N 3.31Å; D840-Q842 VanDerWaalsContact OD2-CD 3.29Å; D840-Q842 PolarHBondContact OD2-NE2 3.37Å
841	L	74.3	Confident	78	Confident	32 Å²	32	75 Å²	75	17%	0.168	41%	0.412	C	S	.	.			trans	-109.5	28.9	177.9	-67	178.7	0	0	0	112.4	T799 I806 V839 A843 C844	T799-L841 WeakPolarHBondContact O-CD1 3.35Å; I806-L841 HydrophobicContact CD1-CD1 3.53Å; I806-L841 HydrophobicContact CD1-CG 4.13Å; V839-L841 HydrophobicContact CG1-CD2 3.96Å; V839-L841 HydrophobicContact CG1-CG 4.06Å; L841-A843 PolarHBondContact O-N 2.75Å; L841-A843 VanDerWaalsContact O-N 3.16Å; L841-C844 WeakPolarHBondContact O-CB 3.33Å; L841-C844 PolarHBondContact O-N 3.49Å
842	Q	69.6	Low	78.1	Confident	113 Å²	113	76 Å²	76	53%	0.528	42%	0.418	S	S	.	.	H	α-helix	trans	-49.6	-37.2	174.1	-88.5	171.3	17.4	0	0	113.6	D840 C844 Q845 H846	D840-Q842 WeakPolarHBondContact OD1-CB 3.48Å; D840-Q842 WeakPolarHBondContact OD1-CG 3.27Å; D840-Q842 PolarHBondContact OD1-N 3.31Å; D840-Q842 VanDerWaalsContact OD2-CD 3.29Å; D840-Q842 PolarHBondContact OD2-NE2 3.37Å; Q842-C844 PolarHBondContact O-N 2.79Å; Q842-Q845 PolarHBondContact O-N 3.09Å; Q842-H846 PolarHBondContact O-CD2 3.28Å
843	A	68	Low	78.1	Confident	95 Å²	95	73.2 Å²	73.2	79%	0.785	41%	0.41	S	S	*	.	H	α-helix	trans	-55.2	-27.1	176	0	0	0	0	0	113.5	L841	L841-A843 PolarHBondContact O-N 2.75Å; L841-A843 VanDerWaalsContact O-N 3.16Å
844	C	71.4	Confident	78.3	Confident	26 Å²	26	78.6 Å²	78.6	18%	0.176	42%	0.415	C	S	.	.	H	α-helix	trans	-82.6	-21	-179.9	-52.1	0	0	0	0	113.4	C800 L841 Q842	C800-C844 WeakPolarHBondContact CA-SG 3.43Å; C800-C844 HydrophobicContact CB-CB 3.67Å; C800-C844 WeakPolarHBondContact CB-SG 3.11Å; C800-C844 WeakPolarHBondContact SG-CB 3.21Å; C800-C844 CovalentContact SG-SG 2.03Å; C800-C844 PolarHBondContact SG-SG 2.96Å; L841-C844 WeakPolarHBondContact O-CB 3.33Å; L841-C844 PolarHBondContact O-N 3.49Å; Q842-C844 PolarHBondContact O-N 2.79Å
845	Q	65.8	Low	78.4	Confident	141 Å²	141	77.2 Å²	77.2	66%	0.659	41%	0.414	S	S	*	.	H	α-helix	trans	-79	-21	-177.5	-75.6	-179.4	-27.2	0	0	113.3	Q842	Q842-Q845 PolarHBondContact O-N 3.09Å
846	H	66.3	Low	78.6	Confident	105 Å²	105	80.3 Å²	80.3	49%	0.486	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.4	-173.9	-66.8	-68.6	0	0	0	115.4	Q842 F848 S850	Q842-H846 PolarHBondContact O-CD2 3.28Å; H846-F848 PolarHBondContact O-N 3.12Å; H846-S850 WeakPolarHBondContact O-CB 3.12Å; H846-S850 PolarHBondContact O-N 3.47Å; H846-S850 VanDerWaalsContact O-N 3.17Å; H846-S850 PolarHBondContact O-OG 3.29Å
847	S	65.8	Low	78.8	Confident	72 Å²	72	85.6 Å²	85.6	50%	0.503	46%	0.456	S	S	.	.	H	α-helix	trans	-64.7	-41.6	-176.9	62.4	0	0	0	0	112.9	S850 I851	S847-S850 PolarHBondContact O-N 3.44Å; S847-I851 WeakPolarHBondContact O-CD1 3.3Å; S847-I851 VanDerWaalsContact O-CG1 3.26Å; S847-I851 WeakPolarHBondContact O-CG1 3.41Å; S847-I851 PolarHBondContact O-N 3.1Å
848	F	71.6	Confident	79	Confident	146 Å²	146	87.3 Å²	87.3	64%	0.64	47%	0.467	S	S	*	.	H	α-helix	trans	-71.1	-41.7	-176.9	-168.3	-108.2	0	0	0	113	H846 S850 I851 I852	H846-F848 PolarHBondContact O-N 3.12Å; F848-S850 VanDerWaalsContact C-N 3.3Å; F848-S850 PolarHBondContact O-N 2.82Å; F848-I851 PolarHBondContact O-N 3.09Å; F848-I852 HydrophobicContact CD1-CD1 3.57Å; F848-I852 HydrophobicContact CD1-CG1 4.45Å; F848-I852 HydrophobicContact CE1-CD1 3.3Å; F848-I852 HydrophobicContact CE1-CG1 4.25Å; F848-I852 HydrophobicContact CG-CD1 4.42Å; F848-I852 HydrophobicContact CZ-CD1 3.94Å; F848-I852 WeakPolarHBondContact O-CG1 3.36Å; F848-I852 PolarHBondContact O-N 2.8Å
849	L	78	Confident	79.3	Confident	104 Å²	104	88.1 Å²	88.1	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-63.3	-40	175.7	-169.4	74.9	0	0	0	111	I852 L853	L849-I852 PolarHBondContact O-N 2.85Å; L849-L853 HydrophobicContact CG-CD1 4.15Å; L849-L853 WeakPolarHBondContact O-CB 3.41Å; L849-L853 WeakPolarHBondContact O-CG 3.31Å; L849-L853 PolarHBondContact O-N 2.74Å
850	S	78.7	Confident	79.7	Confident	69 Å²	69	91.9 Å²	91.9	48%	0.483	49%	0.492	S	S	.	.	H	α-helix	trans	-64	-40.3	176.5	-57	0	0	0	0	111.8	H846 S847 F848 Y854	H846-S850 WeakPolarHBondContact O-CB 3.12Å; H846-S850 PolarHBondContact O-N 3.47Å; H846-S850 VanDerWaalsContact O-N 3.17Å; H846-S850 PolarHBondContact O-OG 3.29Å; S847-S850 PolarHBondContact O-N 3.44Å; F848-S850 VanDerWaalsContact C-N 3.3Å; F848-S850 PolarHBondContact O-N 2.82Å; S850-Y854 VanDerWaalsContact O-CB 3.31Å; S850-Y854 WeakPolarHBondContact O-CB 3.34Å; S850-Y854 PolarHBondContact O-N 3.08Å
851	I	83	Confident	80.4	Confident	101 Å²	101	92.2 Å²	92.2	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-45.3	175.4	-68.2	163	0	0	0	110.9	S847 F848 L853 Y854 T855	S847-I851 WeakPolarHBondContact O-CD1 3.3Å; S847-I851 VanDerWaalsContact O-CG1 3.26Å; S847-I851 WeakPolarHBondContact O-CG1 3.41Å; S847-I851 PolarHBondContact O-N 3.1Å; F848-I851 PolarHBondContact O-N 3.09Å; I851-L853 PolarHBondContact O-N 2.91Å; I851-Y854 PolarHBondContact O-N 2.9Å; I851-T855 HydrophobicContact CG2-CG2 4.44Å; I851-T855 WeakPolarHBondContact O-CG2 3.19Å; I851-T855 PolarHBondContact O-N 3.25Å; I851-T855 PolarHBondContact O-OG1 3.09Å
852	I	84.5	Confident	81.2	Confident	76 Å²	76	96.1 Å²	96.1	39%	0.39	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-44.5	178	-69.4	168.1	0	0	0	111.4	F848 L849 Y854 T855 L856	F848-I852 HydrophobicContact CD1-CD1 3.57Å; F848-I852 HydrophobicContact CD1-CG1 4.45Å; F848-I852 HydrophobicContact CE1-CD1 3.3Å; F848-I852 HydrophobicContact CE1-CG1 4.25Å; F848-I852 HydrophobicContact CG-CD1 4.42Å; F848-I852 HydrophobicContact CZ-CD1 3.94Å; F848-I852 WeakPolarHBondContact O-CG1 3.36Å; F848-I852 PolarHBondContact O-N 2.8Å; L849-I852 PolarHBondContact O-N 2.85Å; I852-Y854 VanDerWaalsContact C-N 3.32Å; I852-Y854 PolarHBondContact O-N 3.36Å; I852-T855 PolarHBondContact O-N 3.46Å; I852-T855 PolarHBondContact O-OG1 2.95Å; I852-L856 WeakPolarHBondContact O-CB 3.25Å; I852-L856 PolarHBondContact O-N 3.41Å
853	L	86.3	Confident	82.1	Confident	96 Å²	96	92.4 Å²	92.4	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-40.8	177.5	-74.4	166.5	0	0	0	111	L849 I851 L856 M857	L849-L853 HydrophobicContact CG-CD1 4.15Å; L849-L853 WeakPolarHBondContact O-CB 3.41Å; L849-L853 WeakPolarHBondContact O-CG 3.31Å; L849-L853 PolarHBondContact O-N 2.74Å; I851-L853 PolarHBondContact O-N 2.91Å; L853-L856 PolarHBondContact O-N 3.36Å; L853-M857 WeakPolarHBondContact O-CB 3.44Å; L853-M857 WeakPolarHBondContact O-CG 3.41Å; L853-M857 PolarHBondContact O-N 3.18Å
854	Y	89	Confident	83.1	Confident	166 Å²	166	94 Å²	94	65%	0.651	50%	0.495	S	S	*	.	H	α-helix	trans	-62.8	-47.6	176.3	179.8	-98.7	0	0	0	112.2	S850 I851 I852 L856 M857 T858	S850-Y854 VanDerWaalsContact O-CB 3.31Å; S850-Y854 WeakPolarHBondContact O-CB 3.34Å; S850-Y854 PolarHBondContact O-N 3.08Å; I851-Y854 PolarHBondContact O-N 2.9Å; I852-Y854 VanDerWaalsContact C-N 3.32Å; I852-Y854 PolarHBondContact O-N 3.36Å; Y854-L856 VanDerWaalsContact C-N 3.34Å; Y854-L856 PolarHBondContact O-N 3.46Å; Y854-M857 PolarHBondContact O-N 3.3Å; Y854-T858 HydrophobicContact CD1-CG2 4.4Å; Y854-T858 HydrophobicContact CD2-CG2 4.42Å; Y854-T858 HydrophobicContact CE1-CG2 3.99Å; Y854-T858 HydrophobicContact CE2-CG2 4.01Å; Y854-T858 WeakPolarHBondContact O-CB 3.32Å; Y854-T858 WeakPolarHBondContact O-CG2 3.24Å; Y854-T858 PolarHBondContact O-N 3.15Å; Y854-T858 PolarHBondContact O-OG1 3.15Å
855	T	88.6	Confident	83.9	Confident	68 Å²	68	97.2 Å²	97.2	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-37.8	178.7	55.6	0	0	0	0	112.2	I851 I852 T858 S859	I851-T855 HydrophobicContact CG2-CG2 4.44Å; I851-T855 WeakPolarHBondContact O-CG2 3.19Å; I851-T855 PolarHBondContact O-N 3.25Å; I851-T855 PolarHBondContact O-OG1 3.09Å; I852-T855 PolarHBondContact O-N 3.46Å; I852-T855 PolarHBondContact O-OG1 2.95Å; T855-T858 VanDerWaalsContact CA-OG1 3.31Å; T855-T858 WeakPolarHBondContact CA-OG1 3.39Å; T855-T858 PolarHBondContact O-OG1 3.13Å; T855-S859 VanDerWaalsContact O-CB 3.29Å; T855-S859 WeakPolarHBondContact O-CB 3.43Å; T855-S859 PolarHBondContact O-N 3.19Å; T855-S859 PolarHBondContact O-OG 2.73Å
856	L	91.3	Very high	84.8	Confident	99 Å²	99	94.5 Å²	94.5	52%	0.518	50%	0.502	S	S	.	.	H	α-helix	trans	-67.1	-45.2	176.3	-171.9	130.9	0	0	0	112.2	I852 L853 Y854 S859 L860	I852-L856 WeakPolarHBondContact O-CB 3.25Å; I852-L856 PolarHBondContact O-N 3.41Å; L853-L856 PolarHBondContact O-N 3.36Å; Y854-L856 VanDerWaalsContact C-N 3.34Å; Y854-L856 PolarHBondContact O-N 3.46Å; L856-S859 PolarHBondContact O-N 2.96Å; L856-L860 HydrophobicContact CD2-CD1 3.79Å; L856-L860 HydrophobicContact CG-CD1 4.48Å; L856-L860 PolarHBondContact O-N 3.3Å
857	M	91.4	Very high	85.6	Confident	112 Å²	112	95.1 Å²	95.1	55%	0.552	51%	0.509	S	S	*	.	H	α-helix	trans	-67.1	-41.2	179.9	-70.2	-61.3	-75.1	0	0	112.3	L853 Y854 L860 L861	L853-M857 WeakPolarHBondContact O-CB 3.44Å; L853-M857 WeakPolarHBondContact O-CG 3.41Å; L853-M857 PolarHBondContact O-N 3.18Å; Y854-M857 PolarHBondContact O-N 3.3Å; M857-L860 PolarHBondContact O-N 3.28Å; M857-L860 HydrophobicContact SD-CD1 4.46Å; M857-L861 PolarHBondContact O-N 3.12Å
858	T	91.1	Very high	86.3	Confident	42 Å²	42	95.1 Å²	95.1	26%	0.258	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-41.8	174.1	45.6	0	0	0	0	111.8	Y854 T855 L860 L861 L862	Y854-T858 HydrophobicContact CD1-CG2 4.4Å; Y854-T858 HydrophobicContact CD2-CG2 4.42Å; Y854-T858 HydrophobicContact CE1-CG2 3.99Å; Y854-T858 HydrophobicContact CE2-CG2 4.01Å; Y854-T858 WeakPolarHBondContact O-CB 3.32Å; Y854-T858 WeakPolarHBondContact O-CG2 3.24Å; Y854-T858 PolarHBondContact O-N 3.15Å; Y854-T858 PolarHBondContact O-OG1 3.15Å; T855-T858 VanDerWaalsContact CA-OG1 3.31Å; T855-T858 WeakPolarHBondContact CA-OG1 3.39Å; T855-T858 PolarHBondContact O-OG1 3.13Å; T858-L860 PolarHBondContact O-N 3.25Å; T858-L861 PolarHBondContact O-N 3.47Å; T858-L862 WeakPolarHBondContact O-CD1 3.41Å; T858-L862 PolarHBondContact O-N 3.43Å
859	S	90.4	Very high	86.8	Confident	77 Å²	77	92.3 Å²	92.3	54%	0.538	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.8	-58.1	0	0	0	0	112.3	T855 L856 L862 G863	T855-S859 VanDerWaalsContact O-CB 3.29Å; T855-S859 WeakPolarHBondContact O-CB 3.43Å; T855-S859 PolarHBondContact O-N 3.19Å; T855-S859 PolarHBondContact O-OG 2.73Å; L856-S859 PolarHBondContact O-N 2.96Å; S859-L862 PolarHBondContact O-N 3.46Å; S859-G863 PolarHBondContact O-N 3.14Å
860	L	91	Very high	86.6	Confident	87 Å²	87	89.1 Å²	89.1	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-45.7	174.4	-83.5	162.6	0	0	0	111.5	L856 M857 T858 G863 F864	L856-L860 HydrophobicContact CD2-CD1 3.79Å; L856-L860 HydrophobicContact CG-CD1 4.48Å; L856-L860 PolarHBondContact O-N 3.3Å; M857-L860 PolarHBondContact O-N 3.28Å; M857-L860 HydrophobicContact SD-CD1 4.46Å; T858-L860 PolarHBondContact O-N 3.25Å; L860-G863 PolarHBondContact O-N 3.37Å; L860-F864 HydrophobicContact CD2-CE2 4.46Å; L860-F864 VanDerWaalsContact O-CD2 3.24Å; L860-F864 WeakPolarHBondContact O-CD2 3.42Å; L860-F864 PolarHBondContact O-N 3.4Å
861	L	92.8	Very high	86.4	Confident	109 Å²	109	88.6 Å²	88.6	57%	0.571	48%	0.484	S	S	*	.	H	α-helix	trans	-59	-48.3	176.4	-91.6	158.3	0	0	0	112.2	M857 T858 G863 F864 I865	M857-L861 PolarHBondContact O-N 3.12Å; T858-L861 PolarHBondContact O-N 3.47Å; L861-G863 VanDerWaalsContact C-N 3.31Å; L861-G863 PolarHBondContact O-N 3.4Å; L861-F864 PolarHBondContact O-N 3.16Å; L861-I865 VanDerWaalsContact O-CG1 3.31Å; L861-I865 WeakPolarHBondContact O-CG1 3.33Å; L861-I865 PolarHBondContact O-N 3.29Å
862	L	90.2	Very high	86.1	Confident	114 Å²	114	91.2 Å²	91.2	60%	0.597	49%	0.494	S	S	*	.	H	α-helix	trans	-61.5	-38.8	175.1	-88	141.8	0	0	0	112	T858 S859 I865 T866	T858-L862 WeakPolarHBondContact O-CD1 3.41Å; T858-L862 PolarHBondContact O-N 3.43Å; S859-L862 PolarHBondContact O-N 3.46Å; L862-I865 PolarHBondContact O-N 3.25Å; L862-T866 WeakPolarHBondContact O-CB 3.4Å; L862-T866 VanDerWaalsContact O-CG2 3.29Å; L862-T866 WeakPolarHBondContact O-CG2 3.34Å; L862-T866 PolarHBondContact O-N 3.35Å; L862-T866 PolarHBondContact O-OG1 2.98Å
863	G	90	Very high	85.5	Confident	35 Å²	35	92.5 Å²	92.5	36%	0.361	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-44.6	174.3	0	0	0	0	0	112.8	S859 L860 L861 T866 L867	S859-G863 PolarHBondContact O-N 3.14Å; L860-G863 PolarHBondContact O-N 3.37Å; L861-G863 VanDerWaalsContact C-N 3.31Å; L861-G863 PolarHBondContact O-N 3.4Å; G863-T866 WeakPolarHBondContact CA-OG1 3.36Å; G863-T866 PolarHBondContact O-N 3.19Å; G863-T866 PolarHBondContact O-OG1 3.44Å; G863-L867 VanDerWaalsContact O-CB 3.26Å; G863-L867 WeakPolarHBondContact O-CB 3.44Å; G863-L867 PolarHBondContact O-N 3.01Å
864	F	88.4	Confident	84.8	Confident	130 Å²	130	94.3 Å²	94.3	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-65.4	-40.5	176.5	-86.5	-70.6	0	0	0	112.4	L860 L861 S868	L860-F864 HydrophobicContact CD2-CE2 4.46Å; L860-F864 VanDerWaalsContact O-CD2 3.24Å; L860-F864 WeakPolarHBondContact O-CD2 3.42Å; L860-F864 PolarHBondContact O-N 3.4Å; L861-F864 PolarHBondContact O-N 3.16Å; F864-S868 WeakPolarHBondContact O-CB 3.49Å; F864-S868 PolarHBondContact O-N 2.92Å; F864-S868 PolarHBondContact O-OG 2.65Å
865	I	88.2	Confident	83.7	Confident	92 Å²	92	91.7 Å²	91.7	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-46.7	177	-68.4	167.1	0	0	0	110.3	L861 L862 S868 I869	L861-I865 VanDerWaalsContact O-CG1 3.31Å; L861-I865 WeakPolarHBondContact O-CG1 3.33Å; L861-I865 PolarHBondContact O-N 3.29Å; L862-I865 PolarHBondContact O-N 3.25Å; I865-S868 PolarHBondContact O-N 3.13Å; I865-I869 HydrophobicContact CG2-CD1 3.59Å; I865-I869 HydrophobicContact CG2-CG1 4.36Å; I865-I869 WeakPolarHBondContact O-CB 3.24Å; I865-I869 VanDerWaalsContact O-CG1 3.26Å; I865-I869 WeakPolarHBondContact O-CG1 3.49Å; I865-I869 PolarHBondContact O-N 3.35Å
866	T	83.5	Confident	82.3	Confident	84 Å²	84	97.7 Å²	97.7	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-65.4	-40.3	178.8	51.1	0	0	0	0	112	L862 G863 S868 I869 A870	L862-T866 WeakPolarHBondContact O-CB 3.4Å; L862-T866 VanDerWaalsContact O-CG2 3.29Å; L862-T866 WeakPolarHBondContact O-CG2 3.34Å; L862-T866 PolarHBondContact O-N 3.35Å; L862-T866 PolarHBondContact O-OG1 2.98Å; G863-T866 WeakPolarHBondContact CA-OG1 3.36Å; G863-T866 PolarHBondContact O-N 3.19Å; G863-T866 PolarHBondContact O-OG1 3.44Å; T866-S868 VanDerWaalsContact C-N 3.34Å; T866-S868 PolarHBondContact O-N 3.04Å; T866-I869 PolarHBondContact O-N 3.18Å; T866-A870 WeakPolarHBondContact O-CB 3.4Å; T866-A870 PolarHBondContact O-N 3.16Å
867	L	83.3	Confident	80.8	Confident	119 Å²	119	96.8 Å²	96.8	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-40.4	174.6	-175.2	64.8	0	0	0	112	G863 S871	G863-L867 VanDerWaalsContact O-CB 3.26Å; G863-L867 WeakPolarHBondContact O-CB 3.44Å; G863-L867 PolarHBondContact O-N 3.01Å; L867-S871 WeakPolarHBondContact O-CB 3.25Å; L867-S871 PolarHBondContact O-N 2.98Å
868	S	81.5	Confident	79.7	Confident	72 Å²	72	96.1 Å²	96.1	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-68.6	-41	177.7	-56.6	0	0	0	0	112.1	F864 I865 T866 S871 H872	F864-S868 WeakPolarHBondContact O-CB 3.49Å; F864-S868 PolarHBondContact O-N 2.92Å; F864-S868 PolarHBondContact O-OG 2.65Å; I865-S868 PolarHBondContact O-N 3.13Å; T866-S868 VanDerWaalsContact C-N 3.34Å; T866-S868 PolarHBondContact O-N 3.04Å; S868-S871 PolarHBondContact O-OG 3.19Å; S868-S871 VanDerWaalsContact O-OG 3.06Å; S868-H872 PolarHBondContact O-N 2.72Å; S868-H872 VanDerWaalsContact O-N 3.09Å
869	I	80.8	Confident	78.6	Confident	87 Å²	87	101.4 Å²	101.4	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-68.6	-42.3	176	-68.9	168.8	0	0	0	110.8	I865 T866 H872 L873	I865-I869 HydrophobicContact CG2-CD1 3.59Å; I865-I869 HydrophobicContact CG2-CG1 4.36Å; I865-I869 WeakPolarHBondContact O-CB 3.24Å; I865-I869 VanDerWaalsContact O-CG1 3.26Å; I865-I869 WeakPolarHBondContact O-CG1 3.49Å; I865-I869 PolarHBondContact O-N 3.35Å; T866-I869 PolarHBondContact O-N 3.18Å; I869-H872 PolarHBondContact O-N 3.15Å; I869-L873 HydrophobicContact CG2-CD1 3.52Å; I869-L873 HydrophobicContact CG2-CG 4.26Å; I869-L873 WeakPolarHBondContact O-CB 3.33Å; I869-L873 WeakPolarHBondContact O-CG 3.31Å; I869-L873 PolarHBondContact O-N 3.15Å
870	A	75.2	Confident	77.4	Confident	37 Å²	37	105 Å²	105	31%	0.306	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-38.4	178	0	0	0	0	0	111.6	T866 Y874	T866-A870 WeakPolarHBondContact O-CB 3.4Å; T866-A870 PolarHBondContact O-N 3.16Å; A870-Y874 HydrophobicContact CB-CD2 4.08Å; A870-Y874 WeakPolarHBondContact O-CB 3.38Å; A870-Y874 WeakPolarHBondContact O-CD2 3.22Å; A870-Y874 PolarHBondContact O-N 3.34Å
871	S	73.8	Confident	76.5	Confident	58 Å²	58	105.5 Å²	105.5	41%	0.406	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-42.8	173.2	85.3	0	0	0	0	110.9	L867 S868 L875	L867-S871 WeakPolarHBondContact O-CB 3.25Å; L867-S871 PolarHBondContact O-N 2.98Å; S868-S871 PolarHBondContact O-OG 3.19Å; S868-S871 VanDerWaalsContact O-OG 3.06Å; S871-L875 WeakPolarHBondContact O-CB 3.36Å; S871-L875 WeakPolarHBondContact O-CD1 2.94Å; S871-L875 PolarHBondContact O-N 3.04Å; S871-L875 VanDerWaalsContact O-N 3.12Å
872	H	76.5	Confident	75.6	Confident	156 Å²	156	107 Å²	107	72%	0.722	53%	0.531	S	S	*	.	H	α-helix	trans	-65.9	-41.7	177.7	-174.7	-59.9	0	0	0	113	S868 I869	S868-H872 PolarHBondContact O-N 2.72Å; S868-H872 VanDerWaalsContact O-N 3.09Å; I869-H872 PolarHBondContact O-N 3.15Å
873	L	71.8	Confident	74.5	Confident	103 Å²	103	104.6 Å²	104.6	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-79.4	-42.6	-176.1	-73.4	170.2	0	0	0	112.8	I869	I869-L873 HydrophobicContact CG2-CD1 3.52Å; I869-L873 HydrophobicContact CG2-CG 4.26Å; I869-L873 WeakPolarHBondContact O-CB 3.33Å; I869-L873 WeakPolarHBondContact O-CG 3.31Å; I869-L873 PolarHBondContact O-N 3.15Å
874	Y	71.1	Confident	73.3	Confident	133 Å²	133	108.1 Å²	108.1	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-105	3	-170.1	-57.9	-72.7	0	0	0	114.1	A870 W876 D877 V878	A870-Y874 HydrophobicContact CB-CD2 4.08Å; A870-Y874 WeakPolarHBondContact O-CB 3.38Å; A870-Y874 WeakPolarHBondContact O-CD2 3.22Å; A870-Y874 PolarHBondContact O-N 3.34Å; Y874-W876 PolarHBondContact O-N 3.26Å; Y874-D877 HydrophobicContact CD1-CB 4.44Å; Y874-D877 WeakPolarHBondContact CD1-OD2 3.38Å; Y874-D877 PolarHBondContact O-N 2.8Å; Y874-D877 VanDerWaalsContact O-N 3.12Å; Y874-V878 WeakPolarHBondContact O-CG2 3.35Å; Y874-V878 PolarHBondContact O-N 3.19Å
875	L	66.9	Low	72.2	Confident	112 Å²	112	105 Å²	105	59%	0.586	52%	0.515	S	S	*	.	H	α-helix	trans	-54.3	-44.8	176.5	-132.4	88.7	0	0	0	110.8	S871 W879	S871-L875 WeakPolarHBondContact O-CB 3.36Å; S871-L875 WeakPolarHBondContact O-CD1 2.94Å; S871-L875 PolarHBondContact O-N 3.04Å; S871-L875 VanDerWaalsContact O-N 3.12Å; L875-W879 VanDerWaalsContact O-CB 3.3Å; L875-W879 WeakPolarHBondContact O-CB 3.43Å; L875-W879 PolarHBondContact O-N 2.89Å
876	W	58.9	Low	71.1	Confident	193 Å²	193	107 Å²	107	73%	0.731	52%	0.517	S	S	*	.	H	α-helix	trans	-69.3	-34.1	179.9	-69.6	99.1	0	0	0	112.4	Y874 W879 Y880	Y874-W876 PolarHBondContact O-N 3.26Å; W876-W879 PolarHBondContact O-N 2.65Å; W876-Y880 WeakPolarHBondContact O-CB 3.23Å; W876-Y880 PolarHBondContact O-N 2.84Å
877	D	60.3	Low	69.8	Low	81 Å²	81	104.6 Å²	104.6	43%	0.433	51%	0.506	S	S	.	.	H	α-helix	trans	-73.1	-38	177.2	-67.5	-34.8	0	0	0	112.2	Y874 Y880 I881	Y874-D877 HydrophobicContact CD1-CB 4.44Å; Y874-D877 WeakPolarHBondContact CD1-OD2 3.38Å; Y874-D877 PolarHBondContact O-N 2.8Å; Y874-D877 VanDerWaalsContact O-N 3.12Å; D877-Y880 PolarHBondContact O-N 3.32Å; D877-I881 WeakPolarHBondContact O-CB 3.37Å; D877-I881 WeakPolarHBondContact O-CD1 3.36Å; D877-I881 WeakPolarHBondContact O-CG1 3.3Å; D877-I881 PolarHBondContact O-N 3.36Å
878	V	67.1	Low	68.4	Low	97 Å²	97	106.6 Å²	106.6	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-68.7	-38.7	173.2	175.6	0	0	0	0	110.6	Y874 I881 Y882	Y874-V878 WeakPolarHBondContact O-CG2 3.35Å; Y874-V878 PolarHBondContact O-N 3.19Å; V878-I881 PolarHBondContact O-N 2.88Å; V878-Y882 WeakPolarHBondContact O-CB 3.38Å; V878-Y882 PolarHBondContact O-N 2.79Å
879	W	69.9	Low	67.4	Low	153 Å²	153	110.6 Å²	110.6	58%	0.58	52%	0.524	S	S	*	.	H	α-helix	trans	-66	-40	173.2	-141.8	71.6	0	0	0	111.5	L875 W876 Y882 H883	L875-W879 VanDerWaalsContact O-CB 3.3Å; L875-W879 WeakPolarHBondContact O-CB 3.43Å; L875-W879 PolarHBondContact O-N 2.89Å; W876-W879 PolarHBondContact O-N 2.65Å; W879-Y882 WeakPolarHBondContact O-CB 3.06Å; W879-Y882 PolarHBondContact O-N 3.38Å; W879-H883 AromaticContact CD2-CD2 3.67Å; W879-H883 AromaticContact CD2-NE2 3.72Å; W879-H883 AromaticContact CE2-NE2 3.68Å; W879-H883 AromaticContact CE3-CD2 3.45Å; W879-H883 VanDerWaalsContact CE3-CD2 3.45Å; W879-H883 AromaticContact CE3-NE2 3.59Å; W879-H883 AromaticContact CH2-NE2 3.41Å; W879-H883 WeakPolarHBondContact CH2-NE2 3.49Å; W879-H883 AromaticContact CZ2-NE2 3.55Å; W879-H883 AromaticContact CZ3-CD2 3.7Å; W879-H883 AromaticContact CZ3-NE2 3.43Å; W879-H883 WeakPolarHBondContact CZ3-NE2 3.17Å; W879-H883 WeakPolarHBondContact O-CB 3.4Å; W879-H883 PolarHBondContact O-CD2 2.94Å; W879-H883 PolarHBondContact O-N 2.88Å
880	Y	64.1	Low	66	Low	153 Å²	153	114.5 Å²	114.5	60%	0.6	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-43.3	174	-176.5	-97	0	0	0	111.5	W876 D877 H883 F884	W876-Y880 WeakPolarHBondContact O-CB 3.23Å; W876-Y880 PolarHBondContact O-N 2.84Å; D877-Y880 PolarHBondContact O-N 3.32Å; Y880-H883 CarbonylContact O-C 3.51Å; Y880-H883 PolarHBondContact O-N 2.98Å; Y880-F884 WeakPolarHBondContact O-CA 3.45Å; Y880-F884 WeakPolarHBondContact O-CB 3.49Å; Y880-F884 PolarHBondContact O-N 3.1Å
881	I	72	Confident	64.4	Low	98 Å²	98	115.6 Å²	115.6	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-39.7	174.5	-69.8	163.1	0	0	0	110.9	D877 V878 F884 C885	D877-I881 WeakPolarHBondContact O-CB 3.37Å; D877-I881 WeakPolarHBondContact O-CD1 3.36Å; D877-I881 WeakPolarHBondContact O-CG1 3.3Å; D877-I881 PolarHBondContact O-N 3.36Å; V878-I881 PolarHBondContact O-N 2.88Å; I881-F884 PolarHBondContact O-N 3.01Å; I881-C885 VanDerWaalsContact O-CB 3.26Å; I881-C885 WeakPolarHBondContact O-CB 3.43Å; I881-C885 PolarHBondContact O-N 3.11Å; I881-C885 PolarHBondContact O-SG 3.43Å; I881-C885 VanDerWaalsContact O-SG 3.34Å
882	Y	74.6	Confident	62.7	Low	140 Å²	140	122.2 Å²	122.2	55%	0.549	57%	0.571	S	S	.	*	H	α-helix	trans	-61	-47.7	173.7	173.6	-99.2	0	0	0	111.5	V878 W879 R886	V878-Y882 WeakPolarHBondContact O-CB 3.38Å; V878-Y882 PolarHBondContact O-N 2.79Å; W879-Y882 WeakPolarHBondContact O-CB 3.06Å; W879-Y882 PolarHBondContact O-N 3.38Å; Y882-R886 WeakPolarHBondContact O-CB 3.49Å; Y882-R886 PolarHBondContact O-N 2.95Å
883	H	66.7	Low	60.8	Low	64 Å²	64	120.8 Å²	120.8	30%	0.296	57%	0.573	S	S	.	*	H	α-helix	trans	-68.6	-34.5	175.8	-80.8	-72.1	0	0	0	113	W879 Y880 R886 A887	W879-H883 AromaticContact CD2-CD2 3.67Å; W879-H883 AromaticContact CD2-NE2 3.72Å; W879-H883 AromaticContact CE2-NE2 3.68Å; W879-H883 AromaticContact CE3-CD2 3.45Å; W879-H883 VanDerWaalsContact CE3-CD2 3.45Å; W879-H883 AromaticContact CE3-NE2 3.59Å; W879-H883 AromaticContact CH2-NE2 3.41Å; W879-H883 WeakPolarHBondContact CH2-NE2 3.49Å; W879-H883 AromaticContact CZ2-NE2 3.55Å; W879-H883 AromaticContact CZ3-CD2 3.7Å; W879-H883 AromaticContact CZ3-NE2 3.43Å; W879-H883 WeakPolarHBondContact CZ3-NE2 3.17Å; W879-H883 WeakPolarHBondContact O-CB 3.4Å; W879-H883 PolarHBondContact O-CD2 2.94Å; W879-H883 PolarHBondContact O-N 2.88Å; Y880-H883 CarbonylContact O-C 3.51Å; Y880-H883 PolarHBondContact O-N 2.98Å; H883-R886 CarbonylContact O-C 3.6Å; H883-R886 PolarHBondContact O-N 3.04Å; H883-A887 WeakPolarHBondContact O-CB 3.23Å; H883-A887 PolarHBondContact O-N 2.98Å
884	F	65.3	Low	58.9	Low	109 Å²	109	127.8 Å²	127.8	48%	0.478	59%	0.592	S	S	.	*	H	α-helix	trans	-70.2	-43.1	177.1	-179.4	-98.5	0	0	0	111.7	Y880 I881 R886 A887 K888	Y880-F884 WeakPolarHBondContact O-CA 3.45Å; Y880-F884 WeakPolarHBondContact O-CB 3.49Å; Y880-F884 PolarHBondContact O-N 3.1Å; I881-F884 PolarHBondContact O-N 3.01Å; F884-R886 VanDerWaalsContact C-N 3.35Å; F884-A887 CarbonylContact O-C 3.6Å; F884-A887 WeakPolarHBondContact O-CB 3.48Å; F884-A887 PolarHBondContact O-N 3.17Å; F884-K888 WeakPolarHBondContact O-CB 3.41Å; F884-K888 PolarHBondContact O-N 3.23Å
885	C	65.4	Low	57.1	Low	63 Å²	63	129.2 Å²	129.2	43%	0.426	61%	0.608	S	S	.	*	H	α-helix	trans	-64.4	-40.2	171.8	-74.8	0	0	0	0	111.3	I881 A887 K888 L889	I881-C885 VanDerWaalsContact O-CB 3.26Å; I881-C885 WeakPolarHBondContact O-CB 3.43Å; I881-C885 PolarHBondContact O-N 3.11Å; I881-C885 PolarHBondContact O-SG 3.43Å; I881-C885 VanDerWaalsContact O-SG 3.34Å; C885-A887 VanDerWaalsContact C-N 3.31Å; C885-A887 PolarHBondContact O-N 3.47Å; C885-K888 PolarHBondContact O-N 3.3Å; C885-L889 PolarHBondContact O-N 3.08Å
886	R	64.4	Low	55.8	Low	135 Å²	135	128.2 Å²	128.2	51%	0.509	61%	0.61	S	S	.	*	H	α-helix	trans	-66	-31.1	173	-171.6	177.8	141.7	-173	-5	112.6	Y882 H883 F884	Y882-R886 WeakPolarHBondContact O-CB 3.49Å; Y882-R886 PolarHBondContact O-N 2.95Å; H883-R886 CarbonylContact O-C 3.6Å; H883-R886 PolarHBondContact O-N 3.04Å; F884-R886 VanDerWaalsContact C-N 3.35Å
887	A	55.3	Low	54.8	Low	33 Å²	33	124.8 Å²	124.8	27%	0.273	62%	0.616	S	S	.	*	H	α-helix	trans	-76.4	-33.4	173.7	0	0	0	0	0	112.4	H883 F884 C885 K890 Y892	H883-A887 WeakPolarHBondContact O-CB 3.23Å; H883-A887 PolarHBondContact O-N 2.98Å; F884-A887 CarbonylContact O-C 3.6Å; F884-A887 WeakPolarHBondContact O-CB 3.48Å; F884-A887 PolarHBondContact O-N 3.17Å; C885-A887 VanDerWaalsContact C-N 3.31Å; C885-A887 PolarHBondContact O-N 3.47Å; A887-K890 PolarHBondContact O-N 3.4Å; A887-Y892 HydrophobicContact CB-CE2 4.15Å
888	K	54.5	Low	53.9	Low	162 Å²	162	128.4 Å²	128.4	70%	0.704	63%	0.63	S	S	*	*	H	α-helix	trans	-72.4	-31.1	176.3	-152.9	178.4	-174.8	-177.2	0	112.6	F884 C885 K890	F884-K888 WeakPolarHBondContact O-CB 3.41Å; F884-K888 PolarHBondContact O-N 3.23Å; C885-K888 PolarHBondContact O-N 3.3Å; K888-K890 VanDerWaalsContact C-N 3.32Å
889	L	61.6	Low	53.2	Low	155 Å²	155	128.2 Å²	128.2	81%	0.812	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-17.1	173	-98.3	148.8	0	0	0	114.2	C885	C885-L889 PolarHBondContact O-N 3.08Å
890	K	51.5	Low	52.5	Low	170 Å²	170	125.4 Å²	125.4	74%	0.739	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	2.8	-179.6	-93.2	-171.1	174.7	-169	0	115.4	A887 K888	A887-K890 PolarHBondContact O-N 3.4Å; K888-K890 VanDerWaalsContact C-N 3.32Å
891	G	39.8	Very low	52.6	Low	60 Å²	60	122 Å²	122	62%	0.619	62%	0.621	S	S	*	*			trans	62.3	104.4	170.1	0	0	0	0	0	114.4
892	Y	39	Very low	52.8	Low	197 Å²	197	119.9 Å²	119.9	77%	0.773	61%	0.607	S	S	*	*			trans	-95.3	122.5	168.7	-75.7	-83.3	0	0	0	110.8	A887	A887-Y892 HydrophobicContact CB-CE2 4.15Å
893	T	35.7	Very low	53.1	Low	126 Å²	126	114 Å²	114	77%	0.773	59%	0.585	S	S	*	*			trans	-55.1	129.9	159.7	38.3	0	0	0	0	110.1	L895	T893-L895 PolarHBondContact O-N 3.36Å
894	R	33.4	Very low	54	Low	249 Å²	249	111 Å²	111	94%	0.94	57%	0.571	S	S	*	*			trans	-61.9	106	175.8	-156.5	-179.5	-168	-172.8	3.2	108.9	S896	R894-S896 PolarHBondContact O-N 3.28Å; R894-S896 VanDerWaalsContact O-N 3.14Å
895	L	32.6	Very low	55.2	Low	164 Å²	164	105.8 Å²	105.8	86%	0.859	55%	0.548	S	S	*	.			trans	-68.7	109.1	161.3	-104.9	110.5	0	0	0	107.2	T893 S897	T893-L895 PolarHBondContact O-N 3.36Å; L895-S897 PolarHBondContact O-N 3.35Å; L895-S897 VanDerWaalsContact O-N 3.1Å
896	S	39.8	Very low	56.2	Low	91 Å²	91	102.8 Å²	102.8	64%	0.636	53%	0.528	S	S	*	.			trans	-49.6	109.2	155.5	165.7	0	0	0	0	108.3	R894 Q898	R894-S896 PolarHBondContact O-N 3.28Å; R894-S896 VanDerWaalsContact O-N 3.14Å; S896-Q898 PolarHBondContact O-N 3.25Å; S896-Q898 VanDerWaalsContact O-N 3.13Å
897	S	38.4	Very low	57.2	Low	121 Å²	121	96.7 Å²	96.7	85%	0.846	51%	0.506	S	S	*	.			trans	-73	101.4	163	172.6	0	0	0	0	106.9	L895	L895-S897 PolarHBondContact O-N 3.35Å; L895-S897 VanDerWaalsContact O-N 3.1Å
898	Q	41.1	Very low	58.7	Low	157 Å²	157	95.7 Å²	95.7	73%	0.734	50%	0.495	S	S	*	.			trans	-56.3	141.7	174.6	-68.3	170.2	-40.8	0	0	112	S896	S896-Q898 PolarHBondContact O-N 3.25Å; S896-Q898 VanDerWaalsContact O-N 3.13Å
899	S	51.2	Low	60.1	Low	92 Å²	92	89 Å²	89	64%	0.643	47%	0.467	S	S	*	.			trans	37.1	116.1	149.4	60.6	0	0	0	0	119	V901	S899-V901 PolarHBondContact O-N 3.49Å; S899-V901 VanDerWaalsContact O-N 3.12Å
900	E	55.9	Low	60.8	Low	95 Å²	95	86 Å²	86	44%	0.444	45%	0.447	S	S	.	.			trans	-45.2	116.6	153.5	-59.6	163	145.9	0	0	109.3	K962	E900-K962 HydrophobicContact CB-CG 4.04Å; E900-K962 HydrophobicContact CG-CG 4.13Å; E900-K962 WeakPolarHBondContact OE2-CD 3.39Å; E900-K962 WeakPolarHBondContact OE2-CE 3.46Å; E900-K962 WeakPolarHBondContact OE2-CG 3.19Å
901	V	67.1	Low	62.1	Low	80 Å²	80	84.3 Å²	84.3	49%	0.485	45%	0.447	S	S	.	.	S	Bend	trans	-83.3	-28.2	-174.3	178.5	0	0	0	0	110.9	S899 T936 K960	S899-V901 PolarHBondContact O-N 3.49Å; S899-V901 VanDerWaalsContact O-N 3.12Å; V901-T936 PolarHBondContact O-OG1 3.09Å; V901-K960 PolarHBondContact N-O 2.89Å
902	Y	75.5	Confident	64.1	Low	54 Å²	54	83.1 Å²	83.1	21%	0.212	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-121.2	140.4	-177	-59.2	-79.4	0	0	0	111.5	T936 C938 K960 S961 K962	Y902-T936 WeakPolarHBondContact CA-OG1 3.33Å; Y902-C938 HydrophobicContact CD1-CB 3.76Å; Y902-C938 HydrophobicContact CD2-CB 3.73Å; Y902-C938 HydrophobicContact CE1-CB 4.11Å; Y902-C938 HydrophobicContact CE2-CB 4.07Å; Y902-C938 HydrophobicContact CG-CB 3.56Å; Y902-K960 HydrophobicContact CD2-CB 4.47Å; Y902-K960 PolarHBondContact N-O 2.85Å; Y902-S961 WeakPolarHBondContact CB-OG 3.22Å; Y902-S961 VanDerWaalsContact O-CA 3.29Å; Y902-S961 WeakPolarHBondContact O-CA 3.13Å; Y902-K962 PolarHBondContact O-N 3.28Å
903	D	80.9	Confident	66.1	Low	17 Å²	17	78.5 Å²	78.5	9%	0.091	42%	0.42	C	S	.	.	S	Bend	trans	-77.2	-27.8	173.7	-69.9	-52.7	0	0	0	111.7	L935 T936 K962 R963	D903-L935 HydrophobicContact CB-CB 4.23Å; D903-L935 HydrophobicContact CB-CD2 3.89Å; D903-L935 WeakPolarHBondContact OD2-CA 3.19Å; D903-L935 WeakPolarHBondContact OD2-CD2 3.36Å; D903-T936 PolarHBondContact N-O 3.41Å; D903-T936 PolarHBondContact N-OG1 3.44Å; D903-T936 PolarHBondContact OD2-N 3.43Å; D903-K962 WeakPolarHBondContact O-CB 3.49Å; D903-K962 IonicContact OD1-NZ 2.8Å; D903-K962 PolarHBondContact OD1-NZ 3.36Å; D903-R963 PolarHBondContact O-N 3.33Å
904	A	85.3	Confident	68.2	Low	0 Å²	0	75.8 Å²	75.8	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	140.3	170.7	0	0	0	0	0	113.5	T936 L937 C938 R963 V965 L1044	A904-T936 PolarHBondContact N-O 3.46Å; A904-L937 HydrophobicContact CB-CD2 3.81Å; A904-L937 CarbonylContact O-C 3.54Å; A904-L937 VanDerWaalsContact O-CA 3.31Å; A904-L937 WeakPolarHBondContact O-CA 3.49Å; A904-C938 PolarHBondContact O-N 3.3Å; A904-R963 CarbonylContact C-O 3.57Å; A904-R963 VanDerWaalsContact CA-O 3.27Å; A904-R963 WeakPolarHBondContact CA-O 3.47Å; A904-R963 HydrophobicContact CB-CB 4.16Å; A904-V965 HydrophobicContact CB-CG2 3.94Å; A904-L1044 HydrophobicContact CB-CD1 4.35Å; A904-L1044 HydrophobicContact CB-CD2 3.9Å
905	F	89.9	Confident	70.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126	163.5	175.1	-128.4	0	0	0	109	M907 C938 W944 L954 I958 S961 R963 T964 V965	F905-M907 HydrophobicContact CE1-SD 4.12Å; F905-M907 HydrophobicContact CZ-SD 4.34Å; F905-C938 WeakPolarHBondContact CA-O 3.49Å; F905-C938 HydrophobicContact CB-CB 4.31Å; F905-C938 HydrophobicContact CD2-CB 3.89Å; F905-C938 VanDerWaalsContact CD2-O 3.23Å; F905-C938 WeakPolarHBondContact CD2-O 3.28Å; F905-W944 HydrophobicContact CZ-CZ2 4.33Å; F905-L954 HydrophobicContact CE1-CD1 3.79Å; F905-L954 HydrophobicContact CZ-CD1 4.08Å; F905-I958 HydrophobicContact CD1-CG1 3.93Å; F905-I958 HydrophobicContact CE1-CG1 4.18Å; F905-S961 WeakPolarHBondContact CB-OG 3.26Å; F905-S961 PolarHBondContact N-OG 3.37Å; F905-R963 PolarHBondContact N-O 2.98Å; F905-T964 HydrophobicContact CD1-CG2 3.84Å; F905-T964 CarbonylContact O-C 3.59Å; F905-T964 WeakPolarHBondContact O-CA 3.3Å; F905-V965 PolarHBondContact O-N 3.34Å
906	V	88	Confident	73	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.1	-177.2	-171	0	0	0	0	110.2	F908 M923 L937 C938 L939 V965 I967	V906-F908 HydrophobicContact CG1-CD1 4.38Å; V906-M923 HydrophobicContact CB-CE 4.49Å; V906-M923 HydrophobicContact CG1-CE 4Å; V906-M923 HydrophobicContact CG1-SD 4.09Å; V906-M923 HydrophobicContact CG2-CE 3.62Å; V906-L937 HydrophobicContact CG2-CB 4.44Å; V906-L937 HydrophobicContact CG2-CD1 4.31Å; V906-L937 HydrophobicContact CG2-CD2 4.06Å; V906-C938 PolarHBondContact N-O 3.06Å; V906-L939 HydrophobicContact CB-CD2 3.76Å; V906-L939 HydrophobicContact CG2-CD2 4.21Å; V906-V965 CarbonylContact C-O 3.5Å; V906-V965 WeakPolarHBondContact CA-O 3.34Å; V906-V965 HydrophobicContact CG1-CB 4.44Å; V906-V965 HydrophobicContact CG1-CG1 4.49Å; V906-V965 HydrophobicContact CG2-CB 4.31Å; V906-I967 HydrophobicContact CG1-CD1 3.54Å; V906-I967 HydrophobicContact CG1-CG1 4.12Å
907	M	85.8	Confident	75.2	Confident	6 Å²	6	58 Å²	58	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.7	-179.9	-167.2	138	-154.8	0	0	110.6	F905 L954 V965 F966 I967 Y972 N977 A981	F905-M907 HydrophobicContact CE1-SD 4.12Å; F905-M907 HydrophobicContact CZ-SD 4.34Å; M907-L954 HydrophobicContact CE-CD1 4.34Å; M907-L954 HydrophobicContact SD-CD1 4.06Å; M907-V965 PolarHBondContact N-O 3.18Å; M907-F966 HydrophobicContact CB-CD1 4.04Å; M907-F966 HydrophobicContact CB-CE1 4.29Å; M907-F966 HydrophobicContact CG-CD1 4.42Å; M907-I967 PolarHBondContact O-N 3.44Å; M907-Y972 WeakPolarHBondContact CG-OH 3.27Å; M907-N977 HydrophobicContact CE-CB 4.41Å; M907-A981 HydrophobicContact CE-CB 4.09Å; M907-A981 HydrophobicContact SD-CB 3.32Å; M907-A981 WeakPolarHBondContact SD-CB 3.39Å
908	F	86.6	Confident	77.5	Confident	12 Å²	12	53.9 Å²	53.9	5%	0.053	29%	0.292	C	S	.	.			trans	-146.4	173.1	-173.8	63.7	-85.9	0	0	0	111.3	V906 K910 V915 V919 L939 I967 Y972	V906-F908 HydrophobicContact CG1-CD1 4.38Å; F908-K910 PolarHBondContact O-N 2.7Å; F908-V915 HydrophobicContact CB-CG1 3.98Å; F908-V915 HydrophobicContact CD2-CG1 4.3Å; F908-V919 HydrophobicContact CB-CG2 4.18Å; F908-V919 HydrophobicContact CD1-CB 4.39Å; F908-V919 HydrophobicContact CD1-CG1 4.02Å; F908-V919 HydrophobicContact CD1-CG2 4.04Å; F908-V919 HydrophobicContact CD2-CG2 4.24Å; F908-V919 HydrophobicContact CE1-CB 4.36Å; F908-V919 HydrophobicContact CE1-CG1 3.83Å; F908-V919 HydrophobicContact CE1-CG2 4.5Å; F908-V919 HydrophobicContact CG-CG2 3.9Å; F908-V919 HydrophobicContact CZ-CB 4.48Å; F908-V919 HydrophobicContact CZ-CG1 4.3Å; F908-L939 HydrophobicContact CE1-CD2 4.24Å; F908-I967 HydrophobicContact CB-CB 3.96Å; F908-I967 HydrophobicContact CB-CD1 4.2Å; F908-Y972 VanDerWaalsContact C-CZ 3.43Å; F908-Y972 WeakPolarHBondContact O-CE2 3.31Å; F908-Y972 VanDerWaalsContact O-CZ 3.27Å; F908-Y972 PolarHBondContact O-OH 3.27Å; F908-Y972 VanDerWaalsContact O-OH 3.05Å
909	D	83.2	Confident	79.6	Confident	23 Å²	23	46.4 Å²	46.4	12%	0.123	26%	0.257	C	S	.	.			trans	-81.5	104.4	175.9	-161.5	-13.4	0	0	0	111	N911 D912 Y972	D909-N911 PolarHBondContact O-N 3.34Å; D909-N911 PolarHBondContact OD1-N 2.8Å; D909-N911 VanDerWaalsContact OD1-N 3.08Å; D909-D912 HydrophobicContact CB-CB 4.03Å; D909-D912 PolarHBondContact O-N 3.21Å; D909-Y972 HydrophobicContact CB-CD2 3.32Å; D909-Y972 HydrophobicContact CB-CE2 3.92Å; D909-Y972 HydrophobicContact CB-CG 3.78Å
910	K	76.2	Confident	81.1	Confident	90 Å²	90	45.9 Å²	45.9	39%	0.391	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.2	176.2	64.1	-176.1	174.5	-166.3	0	113.9	F908 D912 E940 E941	F908-K910 PolarHBondContact O-N 2.7Å; K910-D912 PolarHBondContact O-N 2.78Å; K910-E940 IonicContact NZ-OE1 3.01Å; K910-E940 PolarHBondContact NZ-OE1 2.69Å; K910-E941 WeakPolarHBondContact CB-OE1 3.36Å
911	N	78.3	Confident	82.3	Confident	135 Å²	135	47.8 Å²	47.8	72%	0.722	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.1	-179.6	-61	-36.7	0	0	0	111.7	D909 P913	D909-N911 PolarHBondContact O-N 3.34Å; D909-N911 PolarHBondContact OD1-N 2.8Å; D909-N911 VanDerWaalsContact OD1-N 3.08Å; N911-P913 VanDerWaalsContact O-CD 3.31Å; N911-P913 WeakPolarHBondContact O-CD 3.3Å
912	D	81.8	Confident	83.1	Confident	35 Å²	35	46.9 Å²	46.9	19%	0.187	24%	0.243	C	C	.	.			trans	-95	103.8	174.8	-166.6	-30	0	0	0	109.7	D909 K910 A914 V915 S916	D909-D912 HydrophobicContact CB-CB 4.03Å; D909-D912 PolarHBondContact O-N 3.21Å; K910-D912 PolarHBondContact O-N 2.78Å; D912-A914 PolarHBondContact O-N 3.38Å; D912-A914 PolarHBondContact OD1-N 3.44Å; D912-A914 VanDerWaalsContact OD1-N 3.11Å; D912-V915 HydrophobicContact CB-CB 4.09Å; D912-V915 HydrophobicContact CB-CG2 3.89Å; D912-V915 PolarHBondContact O-N 3.47Å; D912-S916 PolarHBondContact O-N 2.81Å
913	P	80.9	Confident	83.6	Confident	101 Å²	101	44.3 Å²	44.3	66%	0.656	23%	0.233	S	C	*	.	H	α-helix	trans	-62.8	-29.5	-175.8	24.7	-32.9	0	0	0	112.3	N911 E917	N911-P913 VanDerWaalsContact O-CD 3.31Å; N911-P913 WeakPolarHBondContact O-CD 3.3Å; P913-E917 WeakPolarHBondContact O-CB 3.32Å; P913-E917 PolarHBondContact O-N 2.7Å
914	A	81.3	Confident	83.7	Confident	69 Å²	69	44 Å²	44	57%	0.57	23%	0.232	S	C	*	.	H	α-helix	trans	-71.4	-36.4	179.2	0	0	0	0	0	111.9	D912 W918	D912-A914 PolarHBondContact O-N 3.38Å; D912-A914 PolarHBondContact OD1-N 3.44Å; D912-A914 VanDerWaalsContact OD1-N 3.11Å; A914-W918 WeakPolarHBondContact O-CB 3.47Å; A914-W918 PolarHBondContact O-N 3.37Å; A914-W918 VanDerWaalsContact O-N 3.1Å
915	V	83.3	Confident	83.5	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-74.6	-45.3	177.2	-178.8	0	0	0	0	110.6	F908 D912 E917 W918 V919 I967 T969 L1002	F908-V915 HydrophobicContact CB-CG1 3.98Å; F908-V915 HydrophobicContact CD2-CG1 4.3Å; D912-V915 HydrophobicContact CB-CB 4.09Å; D912-V915 HydrophobicContact CB-CG2 3.89Å; D912-V915 PolarHBondContact O-N 3.47Å; V915-E917 VanDerWaalsContact C-N 3.33Å; V915-E917 PolarHBondContact O-N 3.3Å; V915-W918 PolarHBondContact O-N 2.92Å; V915-V919 HydrophobicContact CG1-CG2 4.5Å; V915-V919 WeakPolarHBondContact O-CG2 3.34Å; V915-V919 PolarHBondContact O-N 2.99Å; V915-I967 HydrophobicContact CG1-CG2 3.9Å; V915-T969 HydrophobicContact CG2-CG2 3.51Å; V915-L1002 HydrophobicContact CG1-CD1 4.1Å; V915-L1002 HydrophobicContact CG2-CD1 4.21Å
916	S	83.3	Confident	83.1	Confident	20 Å²	20	49.2 Å²	49.2	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-43.7	177.2	-174.7	0	0	0	0	111.3	D912 W918 V919 M920	D912-S916 PolarHBondContact O-N 2.81Å; S916-W918 PolarHBondContact O-N 2.8Å; S916-V919 PolarHBondContact O-N 3.34Å; S916-M920 WeakPolarHBondContact O-CB 3.48Å; S916-M920 VanDerWaalsContact O-CG 3.31Å; S916-M920 WeakPolarHBondContact O-CG 3.36Å; S916-M920 PolarHBondContact O-N 2.95Å
917	E	84.4	Confident	82.8	Confident	103 Å²	103	49.1 Å²	49.1	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-42.1	175.1	-173.2	172.2	-160.9	0	0	112.3	P913 V915 V919 M920 K921	P913-E917 WeakPolarHBondContact O-CB 3.32Å; P913-E917 PolarHBondContact O-N 2.7Å; V915-E917 VanDerWaalsContact C-N 3.33Å; V915-E917 PolarHBondContact O-N 3.3Å; E917-V919 PolarHBondContact O-N 3.33Å; E917-M920 PolarHBondContact O-N 3.11Å; E917-K921 HydrophobicContact CG-CD 3.8Å; E917-K921 HydrophobicContact CG-CG 4.25Å; E917-K921 WeakPolarHBondContact O-CB 3.31Å; E917-K921 PolarHBondContact O-N 3.04Å; E917-K921 WeakPolarHBondContact OE1-CE 3.36Å; E917-K921 IonicContact OE1-NZ 2.75Å; E917-K921 PolarHBondContact OE1-NZ 2.91Å
918	W	88.4	Confident	82.6	Confident	36 Å²	36	51 Å²	51	14%	0.136	26%	0.264	C	S	.	.	I	π-helix	trans	-62.5	-41.2	175.8	-175.1	89	0	0	0	112.2	A914 V915 S916 E922 M923 I967 L1002 W1026 F1036 W1037	A914-W918 WeakPolarHBondContact O-CB 3.47Å; A914-W918 PolarHBondContact O-N 3.37Å; A914-W918 VanDerWaalsContact O-N 3.1Å; V915-W918 PolarHBondContact O-N 2.92Å; S916-W918 PolarHBondContact O-N 2.8Å; W918-E922 HydrophobicContact CG-CB 4.33Å; W918-E922 WeakPolarHBondContact O-CA 3.17Å; W918-E922 WeakPolarHBondContact O-CB 3.42Å; W918-E922 PolarHBondContact O-N 3.07Å; W918-M923 HydrophobicContact CE3-CB 4.33Å; W918-M923 HydrophobicContact CH2-CB 4.33Å; W918-M923 HydrophobicContact CH2-SD 4.43Å; W918-M923 HydrophobicContact CZ3-CB 3.95Å; W918-M923 HydrophobicContact CZ3-CG 4.37Å; W918-M923 HydrophobicContact CZ3-SD 3.88Å; W918-M923 PolarHBondContact O-N 3.45Å; W918-I967 HydrophobicContact CE3-CD1 4.34Å; W918-I967 HydrophobicContact CZ3-CD1 3.86Å; W918-L1002 HydrophobicContact CD2-CD1 4.22Å; W918-L1002 HydrophobicContact CD2-CD2 3.84Å; W918-L1002 HydrophobicContact CE3-CD1 4.13Å; W918-L1002 HydrophobicContact CE3-CD2 3.97Å; W918-L1002 HydrophobicContact CH2-CD2 3.85Å; W918-L1002 HydrophobicContact CZ2-CD2 3.7Å; W918-L1002 HydrophobicContact CZ3-CD2 3.98Å; W918-W1026 HydrophobicContact CZ2-CD2 4.13Å; W918-W1026 AromaticContact CZ2-CE3 3.63Å; W918-W1026 HydrophobicContact CZ2-CE3 3.63Å; W918-W1026 HydrophobicContact CZ2-CH2 4.06Å; W918-W1026 AromaticContact CZ2-CZ3 3.6Å; W918-W1026 HydrophobicContact CZ2-CZ3 3.6Å; W918-W1026 AromaticContact NE1-CE2 3.81Å; W918-W1026 AromaticContact NE1-CH2 3.81Å; W918-W1026 AromaticContact NE1-CZ2 3.59Å; W918-F1036 HydrophobicContact CH2-CE1 4.37Å; W918-F1036 HydrophobicContact CH2-CZ 4.45Å; W918-F1036 HydrophobicContact CZ2-CE1 4.38Å; W918-W1037 AromaticContact CH2-CH2 3.73Å; W918-W1037 HydrophobicContact CH2-CH2 3.73Å; W918-W1037 HydrophobicContact CH2-CZ2 4.49Å; W918-W1037 HydrophobicContact CH2-CZ3 4.44Å; W918-W1037 AromaticContact CZ2-CH2 3.58Å; W918-W1037 HydrophobicContact CZ2-CH2 3.58Å; W918-W1037 AromaticContact CZ2-CZ2 3.9Å; W918-W1037 HydrophobicContact CZ2-CZ2 3.9Å
919	V	85.5	Confident	82	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-66	-47.8	177.3	175.9	0	0	0	0	111.1	F908 V915 S916 E917 M923 C924 L939 I967	F908-V919 HydrophobicContact CB-CG2 4.18Å; F908-V919 HydrophobicContact CD1-CB 4.39Å; F908-V919 HydrophobicContact CD1-CG1 4.02Å; F908-V919 HydrophobicContact CD1-CG2 4.04Å; F908-V919 HydrophobicContact CD2-CG2 4.24Å; F908-V919 HydrophobicContact CE1-CB 4.36Å; F908-V919 HydrophobicContact CE1-CG1 3.83Å; F908-V919 HydrophobicContact CE1-CG2 4.5Å; F908-V919 HydrophobicContact CG-CG2 3.9Å; F908-V919 HydrophobicContact CZ-CB 4.48Å; F908-V919 HydrophobicContact CZ-CG1 4.3Å; V915-V919 HydrophobicContact CG1-CG2 4.5Å; V915-V919 WeakPolarHBondContact O-CG2 3.34Å; V915-V919 PolarHBondContact O-N 2.99Å; S916-V919 PolarHBondContact O-N 3.34Å; E917-V919 PolarHBondContact O-N 3.33Å; V919-M923 WeakPolarHBondContact O-CB 3.32Å; V919-M923 PolarHBondContact O-N 2.86Å; V919-C924 PolarHBondContact O-N 3.38Å; V919-C924 PolarHBondContact O-SG 3.49Å; V919-L939 HydrophobicContact CG1-CD2 4.11Å; V919-I967 HydrophobicContact CG2-CD1 3.25Å
920	M	81.9	Confident	81.2	Confident	80 Å²	80	63.4 Å²	63.4	39%	0.394	32%	0.315	S	S	.	.	I	π-helix	trans	-74.9	-40	-173.4	-66.2	-60.5	-73.3	0	0	112.9	S916 E917 C924 L939	S916-M920 WeakPolarHBondContact O-CB 3.48Å; S916-M920 VanDerWaalsContact O-CG 3.31Å; S916-M920 WeakPolarHBondContact O-CG 3.36Å; S916-M920 PolarHBondContact O-N 2.95Å; E917-M920 PolarHBondContact O-N 3.11Å; M920-C924 WeakPolarHBondContact O-CB 3.06Å; M920-L939 HydrophobicContact SD-CD1 3.78Å
921	K	81.6	Confident	80.4	Confident	136 Å²	136	61.5 Å²	61.5	59%	0.591	32%	0.32	S	S	*	.	I	π-helix	trans	-94.5	-35.5	-176.6	-65.7	-172	-178.2	169.5	0	114.1	E917 H925	E917-K921 HydrophobicContact CG-CD 3.8Å; E917-K921 HydrophobicContact CG-CG 4.25Å; E917-K921 WeakPolarHBondContact O-CB 3.31Å; E917-K921 PolarHBondContact O-N 3.04Å; E917-K921 WeakPolarHBondContact OE1-CE 3.36Å; E917-K921 IonicContact OE1-NZ 2.75Å; E917-K921 PolarHBondContact OE1-NZ 2.91Å; K921-H925 WeakPolarHBondContact O-CB 3.07Å
922	E	83.7	Confident	79.5	Confident	61 Å²	61	63.9 Å²	63.9	29%	0.285	33%	0.333	S	S	.	.	I	π-helix	trans	-98.1	-54.7	-174.5	-164.7	75.9	-179.3	0	0	111.3	W918 H926 W1037	W918-E922 HydrophobicContact CG-CB 4.33Å; W918-E922 WeakPolarHBondContact O-CA 3.17Å; W918-E922 WeakPolarHBondContact O-CB 3.42Å; W918-E922 PolarHBondContact O-N 3.07Å; E922-H926 WeakPolarHBondContact O-CB 3.38Å; E922-H926 PolarHBondContact O-CD2 3.46Å; E922-H926 PolarHBondContact O-N 2.93Å; E922-H926 IonicContact OE1-CD2 3.79Å; E922-H926 IonicContact OE1-NE2 3.39Å; E922-W1037 HydrophobicContact CG-CH2 4.36Å; E922-W1037 HydrophobicContact CG-CZ2 3.67Å
923	M	84.8	Confident	78.8	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.351	C	S	.	.	I	π-helix	trans	-69.3	-44.5	-175.3	-175.6	174.3	174.3	0	0	112.6	V906 W918 V919 H926 L927 L937 V965 I967 W1037 L1040	V906-M923 HydrophobicContact CB-CE 4.49Å; V906-M923 HydrophobicContact CG1-CE 4Å; V906-M923 HydrophobicContact CG1-SD 4.09Å; V906-M923 HydrophobicContact CG2-CE 3.62Å; W918-M923 HydrophobicContact CE3-CB 4.33Å; W918-M923 HydrophobicContact CH2-CB 4.33Å; W918-M923 HydrophobicContact CH2-SD 4.43Å; W918-M923 HydrophobicContact CZ3-CB 3.95Å; W918-M923 HydrophobicContact CZ3-CG 4.37Å; W918-M923 HydrophobicContact CZ3-SD 3.88Å; W918-M923 PolarHBondContact O-N 3.45Å; V919-M923 WeakPolarHBondContact O-CB 3.32Å; V919-M923 PolarHBondContact O-N 2.86Å; M923-H926 PolarHBondContact O-N 3.28Å; M923-L927 HydrophobicContact CE-CD1 3.6Å; M923-L927 HydrophobicContact CG-CD1 3.64Å; M923-L927 HydrophobicContact CG-CG 4.34Å; M923-L927 VanDerWaalsContact O-CB 3.29Å; M923-L927 WeakPolarHBondContact O-CB 3.47Å; M923-L927 WeakPolarHBondContact O-CG 3.48Å; M923-L927 PolarHBondContact O-N 3.23Å; M923-L927 HydrophobicContact SD-CD1 4.48Å; M923-L937 HydrophobicContact CE-CD1 4.41Å; M923-L937 HydrophobicContact CG-CD1 4.49Å; M923-V965 HydrophobicContact CE-CG1 4.19Å; M923-I967 HydrophobicContact SD-CD1 3.79Å; M923-W1037 HydrophobicContact CB-CH2 4.03Å; M923-W1037 HydrophobicContact CB-CZ3 4.34Å; M923-W1037 HydrophobicContact CG-CH2 4.33Å; M923-W1037 HydrophobicContact CG-CZ3 4.17Å; M923-L1040 HydrophobicContact CE-CD2 4.42Å
924	C	83.5	Confident	78.5	Confident	10 Å²	10	73.9 Å²	73.9	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-64.5	-43.4	176.5	-63.1	0	0	0	0	111.3	V919 M920 H926 L927 E928	V919-C924 PolarHBondContact O-N 3.38Å; V919-C924 PolarHBondContact O-SG 3.49Å; M920-C924 WeakPolarHBondContact O-CB 3.06Å; C924-H926 PolarHBondContact O-N 3.41Å; C924-L927 PolarHBondContact O-N 3.1Å; C924-E928 WeakPolarHBondContact O-CA 3.44Å; C924-E928 VanDerWaalsContact O-CB 3.28Å; C924-E928 WeakPolarHBondContact O-CB 3.44Å; C924-E928 PolarHBondContact O-N 2.92Å
925	H	81.5	Confident	78.4	Confident	74 Å²	74	70.9 Å²	70.9	34%	0.343	33%	0.33	S	S	.	.	I	π-helix	trans	-59.7	-46.9	176.1	-177.3	68.6	0	0	0	112.1	K921 L927 E929 R930	K921-H925 WeakPolarHBondContact O-CB 3.07Å; H925-L927 PolarHBondContact O-N 2.7Å; H925-E929 IonicContact CE1-OE2 2.71Å; H925-E929 PolarHBondContact CE1-OE2 3.49Å; H925-E929 IonicContact CG-OE2 2.95Å; H925-E929 IonicContact ND1-OE2 2.78Å; H925-E929 PolarHBondContact ND1-OE2 3.05Å; H925-E929 WeakPolarHBondContact O-CB 3.33Å; H925-E929 PolarHBondContact O-N 2.85Å; H925-R930 PolarHBondContact O-N 3.44Å
926	H	81.3	Confident	78.4	Confident	35 Å²	35	73.7 Å²	73.7	16%	0.162	35%	0.347	C	S	.	.	I	π-helix	trans	-75.5	-20.7	-178.1	-86.4	-75.4	0	0	0	115.1	E922 M923 C924 W1037 R1041	E922-H926 WeakPolarHBondContact O-CB 3.38Å; E922-H926 PolarHBondContact O-CD2 3.46Å; E922-H926 PolarHBondContact O-N 2.93Å; E922-H926 IonicContact OE1-CD2 3.79Å; E922-H926 IonicContact OE1-NE2 3.39Å; M923-H926 PolarHBondContact O-N 3.28Å; C924-H926 PolarHBondContact O-N 3.41Å; H926-W1037 HydrophobicContact CB-CD2 3.77Å; H926-W1037 HydrophobicContact CB-CE3 3.86Å; H926-W1037 HydrophobicContact CB-CG 4.29Å; H926-W1037 HydrophobicContact CB-CH2 4.34Å; H926-W1037 HydrophobicContact CB-CZ2 4.24Å; H926-W1037 HydrophobicContact CB-CZ3 4.14Å; H926-W1037 AromaticContact CD2-CE2 3.83Å; H926-W1037 AromaticContact CD2-NE1 3.68Å; H926-W1037 AromaticContact CG-CD2 3.96Å; H926-W1037 AromaticContact CG-CE2 3.78Å; H926-W1037 AromaticContact CG-NE1 3.77Å; H926-W1037 AromaticContact ND1-CD1 3.88Å; H926-W1037 AromaticContact NE2-NE1 3.87Å; H926-R1041 VanDerWaalsContact O-CZ 3.27Å; H926-R1041 PolarHBondContact O-NE 2.63Å; H926-R1041 VanDerWaalsContact O-NE 3.15Å; H926-R1041 PolarHBondContact O-NH2 3.17Å
927	L	82.1	Confident	78.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	34%	0.341	C	S	.	.	I	π-helix	trans	-106.3	-38.9	-177.8	-63.2	-178.5	0	0	0	113.7	M923 C924 H925 L935 L937 W1037 L1040 R1041 L1044	M923-L927 HydrophobicContact CE-CD1 3.6Å; M923-L927 HydrophobicContact CG-CD1 3.64Å; M923-L927 HydrophobicContact CG-CG 4.34Å; M923-L927 VanDerWaalsContact O-CB 3.29Å; M923-L927 WeakPolarHBondContact O-CB 3.47Å; M923-L927 WeakPolarHBondContact O-CG 3.48Å; M923-L927 PolarHBondContact O-N 3.23Å; M923-L927 HydrophobicContact SD-CD1 4.48Å; C924-L927 PolarHBondContact O-N 3.1Å; H925-L927 PolarHBondContact O-N 2.7Å; L927-L935 HydrophobicContact CD2-CD1 4.33Å; L927-L935 PolarHBondContact O-N 3.46Å; L927-L937 HydrophobicContact CB-CD1 4.26Å; L927-L937 HydrophobicContact CD1-CD1 4.15Å; L927-L937 HydrophobicContact CD1-CD2 4.43Å; L927-W1037 HydrophobicContact CD2-CE3 4.32Å; L927-W1037 HydrophobicContact CG-CZ3 4.36Å; L927-L1040 HydrophobicContact CD1-CD2 3.92Å; L927-L1040 HydrophobicContact CD1-CG 4.47Å; L927-L1040 HydrophobicContact CD2-CD2 4.34Å; L927-L1040 HydrophobicContact CD2-CG 4.49Å; L927-R1041 VanDerWaalsContact CA-NH2 3.29Å; L927-R1041 HydrophobicContact CD2-CG 3.61Å; L927-R1041 PolarHBondContact O-NH2 3.32Å; L927-L1044 HydrophobicContact CD1-CD1 4.24Å
928	E	82	Confident	78.7	Confident	44 Å²	44	68 Å²	68	21%	0.206	32%	0.318	C	S	.	.	I	π-helix	trans	-89.3	-37.7	-179.3	-51.7	-164.1	138.6	0	0	112	C924 R934 L937 R942	C924-E928 WeakPolarHBondContact O-CA 3.44Å; C924-E928 VanDerWaalsContact O-CB 3.28Å; C924-E928 WeakPolarHBondContact O-CB 3.44Å; C924-E928 PolarHBondContact O-N 2.92Å; E928-R934 WeakPolarHBondContact O-CG 3.24Å; E928-L937 HydrophobicContact CG-CD1 4.26Å; E928-L937 HydrophobicContact CG-CG 4.23Å; E928-L937 WeakPolarHBondContact OE1-CB 3.23Å; E928-L937 PolarHBondContact OE1-N 3.43Å; E928-L937 VanDerWaalsContact OE1-N 3.12Å; E928-R942 IonicContact OE1-CZ 3.43Å; E928-R942 IonicContact OE1-NH1 2.68Å; E928-R942 IonicContact OE1-NH2 2.75Å; E928-R942 PolarHBondContact OE1-NH2 3.44Å; E928-R942 IonicContact OE2-CZ 3.54Å; E928-R942 IonicContact OE2-NH1 3.84Å; E928-R942 PolarHBondContact OE2-NH1 3.26Å; E928-R942 IonicContact OE2-NH2 3.64Å
929	E	72.8	Confident	78.6	Confident	134 Å²	134	66.3 Å²	66.3	63%	0.626	31%	0.312	S	S	*	.	I	π-helix	trans	-101.5	-32.7	-170.3	-58.6	-176.8	166	0	0	115.2	H925	H925-E929 IonicContact CE1-OE2 2.71Å; H925-E929 PolarHBondContact CE1-OE2 3.49Å; H925-E929 IonicContact CG-OE2 2.95Å; H925-E929 IonicContact ND1-OE2 2.78Å; H925-E929 PolarHBondContact ND1-OE2 3.05Å; H925-E929 WeakPolarHBondContact O-CB 3.33Å; H925-E929 PolarHBondContact O-N 2.85Å
930	R	66.5	Low	78.4	Confident	162 Å²	162	67.9 Å²	67.9	61%	0.611	32%	0.319	S	S	*	.	S	Bend	trans	-117	101.3	-168.6	-151.7	177.7	-171.7	-171.6	3.2	114.5	H925 R1041	H925-R930 PolarHBondContact O-N 3.44Å; R930-R1041 PolarHBondContact O-NH2 3.23Å
931	G	59.8	Low	78.2	Confident	50 Å²	50	69.1 Å²	69.1	52%	0.515	32%	0.324	S	S	.	.	S	Bend	trans	147.3	168.8	170.8	0	0	0	0	0	115.4	R933	G931-R933 PolarHBondContact O-N 2.85Å; G931-R933 VanDerWaalsContact O-N 3.16Å
932	D	59.9	Low	78.2	Confident	186 Å²	186	68.1 Å²	68.1	100%	0.995	32%	0.317	S	S	*	.	S	Bend	trans	-64.7	-15.5	-175.5	-74	-23.6	0	0	0	115.2
933	R	66.5	Low	78	Confident	146 Å²	146	67.3 Å²	67.3	55%	0.551	31%	0.314	S	S	*	.	S	Bend	trans	-135.7	117.1	174.2	-172.1	174.4	177.5	172.4	0.5	110.1	G931 R1041	G931-R933 PolarHBondContact O-N 2.85Å; G931-R933 VanDerWaalsContact O-N 3.16Å; R933-R1041 PolarHBondContact O-NH1 2.72Å
934	R	75.1	Confident	78.1	Confident	199 Å²	199	69.2 Å²	69.2	75%	0.751	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-77.2	126.3	175.7	-60.5	-176.2	-176.1	176.7	-0.8	109.1	E928	E928-R934 WeakPolarHBondContact O-CG 3.24Å
935	L	79.6	Confident	77.9	Confident	7 Å²	7	72.7 Å²	72.7	4%	0.037	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-98.6	138.8	176.4	-63.5	172.5	0	0	0	108.8	D903 L927 R1041 L1044	D903-L935 HydrophobicContact CB-CB 4.23Å; D903-L935 HydrophobicContact CB-CD2 3.89Å; D903-L935 WeakPolarHBondContact OD2-CA 3.19Å; D903-L935 WeakPolarHBondContact OD2-CD2 3.36Å; L927-L935 HydrophobicContact CD2-CD1 4.33Å; L927-L935 PolarHBondContact O-N 3.46Å; L935-R1041 HydrophobicContact CD1-CG 4.35Å; L935-L1044 HydrophobicContact CD1-CB 4.13Å; L935-L1044 HydrophobicContact CD1-CD1 3.94Å
936	T	82.9	Confident	77.6	Confident	65 Å²	65	75.2 Å²	75.2	40%	0.399	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-94.8	119.7	175.4	48.7	0	0	0	0	110.7	V901 Y902 D903 A904	V901-T936 PolarHBondContact O-OG1 3.09Å; Y902-T936 WeakPolarHBondContact CA-OG1 3.33Å; D903-T936 PolarHBondContact N-O 3.41Å; D903-T936 PolarHBondContact N-OG1 3.44Å; D903-T936 PolarHBondContact OD2-N 3.43Å; A904-T936 PolarHBondContact N-O 3.46Å
937	L	85.9	Confident	77.3	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.6	178.3	-56.8	178.6	0	0	0	111.2	A904 V906 M923 L927 E928 R942	A904-L937 HydrophobicContact CB-CD2 3.81Å; A904-L937 CarbonylContact O-C 3.54Å; A904-L937 VanDerWaalsContact O-CA 3.31Å; A904-L937 WeakPolarHBondContact O-CA 3.49Å; V906-L937 HydrophobicContact CG2-CB 4.44Å; V906-L937 HydrophobicContact CG2-CD1 4.31Å; V906-L937 HydrophobicContact CG2-CD2 4.06Å; M923-L937 HydrophobicContact CE-CD1 4.41Å; M923-L937 HydrophobicContact CG-CD1 4.49Å; L927-L937 HydrophobicContact CB-CD1 4.26Å; L927-L937 HydrophobicContact CD1-CD1 4.15Å; L927-L937 HydrophobicContact CD1-CD2 4.43Å; E928-L937 HydrophobicContact CG-CD1 4.26Å; E928-L937 HydrophobicContact CG-CG 4.23Å; E928-L937 WeakPolarHBondContact OE1-CB 3.23Å; E928-L937 PolarHBondContact OE1-N 3.43Å; E928-L937 VanDerWaalsContact OE1-N 3.12Å; L937-R942 PolarHBondContact O-NH2 3.38Å
938	C	86.6	Confident	77	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.014	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.3	167.6	-177.4	0	0	0	0	109.2	Y902 A904 F905 V906 D943 S957	Y902-C938 HydrophobicContact CD1-CB 3.76Å; Y902-C938 HydrophobicContact CD2-CB 3.73Å; Y902-C938 HydrophobicContact CE1-CB 4.11Å; Y902-C938 HydrophobicContact CE2-CB 4.07Å; Y902-C938 HydrophobicContact CG-CB 3.56Å; A904-C938 PolarHBondContact O-N 3.3Å; F905-C938 WeakPolarHBondContact CA-O 3.49Å; F905-C938 HydrophobicContact CB-CB 4.31Å; F905-C938 HydrophobicContact CD2-CB 3.89Å; F905-C938 VanDerWaalsContact CD2-O 3.23Å; F905-C938 WeakPolarHBondContact CD2-O 3.28Å; V906-C938 PolarHBondContact N-O 3.06Å; C938-D943 WeakPolarHBondContact CA-OD2 3.39Å; C938-S957 PolarHBondContact SG-OG 2.77Å; C938-S957 VanDerWaalsContact SG-OG 3.37Å
939	L	86.4	Confident	76.9	Confident	2 Å²	2	81.5 Å²	81.5	1%	0.01	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.8	-179.2	-58.6	173.8	0	0	0	110.8	V906 F908 V919 M920 E941 R942 D943	V906-L939 HydrophobicContact CB-CD2 3.76Å; V906-L939 HydrophobicContact CG2-CD2 4.21Å; F908-L939 HydrophobicContact CE1-CD2 4.24Å; V919-L939 HydrophobicContact CG1-CD2 4.11Å; M920-L939 HydrophobicContact SD-CD1 3.78Å; L939-E941 VanDerWaalsContact C-N 3.3Å; L939-E941 PolarHBondContact O-N 3.04Å; L939-R942 HydrophobicContact CB-CB 4.23Å; L939-R942 PolarHBondContact O-N 3.12Å; L939-D943 PolarHBondContact N-OD2 3.3Å; L939-D943 PolarHBondContact O-N 3.04Å
940	E	82.3	Confident	77.1	Confident	32 Å²	32	79.6 Å²	79.6	15%	0.15	42%	0.423	C	S	.	.	H	α-helix	trans	-56	-41.5	178.7	179	176.8	152.1	0	0	112.3	K910 W944	K910-E940 IonicContact NZ-OE1 3.01Å; K910-E940 PolarHBondContact NZ-OE1 2.69Å; E940-W944 HydrophobicContact CB-CD2 4.33Å; E940-W944 HydrophobicContact CB-CZ2 4.3Å; E940-W944 HydrophobicContact CG-CD2 3.79Å; E940-W944 HydrophobicContact CG-CE3 3.67Å; E940-W944 HydrophobicContact CG-CH2 3.77Å; E940-W944 HydrophobicContact CG-CZ2 3.91Å; E940-W944 HydrophobicContact CG-CZ3 3.65Å; E940-W944 WeakPolarHBondContact O-CB 3.44Å
941	E	77.1	Confident	77.8	Confident	107 Å²	107	75.4 Å²	75.4	50%	0.5	41%	0.412	S	S	.	.	H	α-helix	trans	-79.1	-19.8	-175	-63.3	-177.6	175.1	0	0	113.9	K910 L939	K910-E941 WeakPolarHBondContact CB-OE1 3.36Å; L939-E941 VanDerWaalsContact C-N 3.3Å; L939-E941 PolarHBondContact O-N 3.04Å
942	R	81.6	Confident	78.8	Confident	114 Å²	114	76.7 Å²	76.7	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-108.1	-43.5	-172.2	-172.2	175.8	69.9	-178.1	-0.4	113	E928 L937 L939	E928-R942 IonicContact OE1-CZ 3.43Å; E928-R942 IonicContact OE1-NH1 2.68Å; E928-R942 IonicContact OE1-NH2 2.75Å; E928-R942 PolarHBondContact OE1-NH2 3.44Å; E928-R942 IonicContact OE2-CZ 3.54Å; E928-R942 IonicContact OE2-NH1 3.84Å; E928-R942 PolarHBondContact OE2-NH1 3.26Å; E928-R942 IonicContact OE2-NH2 3.64Å; L937-R942 PolarHBondContact O-NH2 3.38Å; L939-R942 HydrophobicContact CB-CB 4.23Å; L939-R942 PolarHBondContact O-N 3.12Å
943	D	80.9	Confident	79.8	Confident	44 Å²	44	68.3 Å²	68.3	24%	0.235	36%	0.362	C	S	.	.	H	α-helix	trans	-111.3	-1.8	-162	-54.7	-56	0	0	0	113.7	C938 L939	C938-D943 WeakPolarHBondContact CA-OD2 3.39Å; L939-D943 PolarHBondContact N-OD2 3.3Å; L939-D943 PolarHBondContact O-N 3.04Å
944	W	85.9	Confident	80.6	Confident	41 Å²	41	61.6 Å²	61.6	16%	0.155	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-78.6	135.5	176.1	-80	15.9	0	0	0	111.9	F905 E940 P946 L950 N953 L954 S957	F905-W944 HydrophobicContact CZ-CZ2 4.33Å; E940-W944 HydrophobicContact CB-CD2 4.33Å; E940-W944 HydrophobicContact CB-CZ2 4.3Å; E940-W944 HydrophobicContact CG-CD2 3.79Å; E940-W944 HydrophobicContact CG-CE3 3.67Å; E940-W944 HydrophobicContact CG-CH2 3.77Å; E940-W944 HydrophobicContact CG-CZ2 3.91Å; E940-W944 HydrophobicContact CG-CZ3 3.65Å; E940-W944 WeakPolarHBondContact O-CB 3.44Å; W944-P946 WeakPolarHBondContact O-CD 3.16Å; W944-L950 HydrophobicContact CH2-CD1 4.41Å; W944-L950 HydrophobicContact CH2-CG 4.03Å; W944-L950 HydrophobicContact CZ3-CD1 3.93Å; W944-L950 HydrophobicContact CZ3-CG 3.81Å; W944-N953 HydrophobicContact CD2-CB 3.68Å; W944-N953 HydrophobicContact CE3-CB 3.94Å; W944-N953 HydrophobicContact CG-CB 3.96Å; W944-N953 HydrophobicContact CZ2-CB 4.42Å; W944-N953 HydrophobicContact CZ3-CB 4.43Å; W944-L954 HydrophobicContact CH2-CB 4.4Å; W944-L954 HydrophobicContact CZ2-CB 4.17Å; W944-L954 HydrophobicContact CZ2-CD1 4.28Å; W944-S957 PolarHBondContact NE1-OG 2.95Å
945	V	78.9	Confident	81	Confident	83 Å²	83	54 Å²	54	50%	0.503	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-77.6	121.7	179.8	-177.1	0	0	0	0	109.4	C948 N953	V945-C948 PolarHBondContact O-N 2.97Å; V945-N953 PolarHBondContact O-ND2 2.96Å
946	P	76.5	Confident	81.1	Confident	126 Å²	126	57.7 Å²	57.7	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	136.9	177.4	-21	32.6	0	0	0	111.5	W944	W944-P946 WeakPolarHBondContact O-CD 3.16Å
947	G	73.6	Confident	81.2	Confident	86 Å²	86	55.1 Å²	55.1	89%	0.887	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-10.1	179.1	0	0	0	0	0	115.5
948	C	77.5	Confident	81	Confident	53 Å²	53	55.1 Å²	55.1	36%	0.358	32%	0.316	S	S	.	.	S	Bend	trans	-78.6	143.5	168.5	-74.7	0	0	0	0	111.3	V945 L950 N953	V945-C948 PolarHBondContact O-N 2.97Å; C948-L950 PolarHBondContact O-N 2.89Å; C948-N953 WeakPolarHBondContact CB-OD1 3.27Å
949	P	79.3	Confident	80.6	Confident	72 Å²	72	59.2 Å²	59.2	47%	0.468	34%	0.335	S	S	.	.			trans	-54.8	138.9	173.7	-25.7	35.3	0	0	0	111.6	I951 D952 N953	P949-I951 HydrophobicContact CB-CG2 4.35Å; P949-I951 PolarHBondContact O-N 2.81Å; P949-I951 VanDerWaalsContact O-N 3.1Å; P949-D952 HydrophobicContact CB-CB 4.37Å; P949-D952 WeakPolarHBondContact CG-OD2 3.42Å; P949-D952 PolarHBondContact O-N 2.85Å; P949-N953 PolarHBondContact O-N 3.29Å
950	L	77.4	Confident	80.2	Confident	95 Å²	95	63.7 Å²	63.7	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-54.2	-35.3	-177.8	-176.8	136	0	0	0	112.6	W944 C948 L954	W944-L950 HydrophobicContact CH2-CD1 4.41Å; W944-L950 HydrophobicContact CH2-CG 4.03Å; W944-L950 HydrophobicContact CZ3-CD1 3.93Å; W944-L950 HydrophobicContact CZ3-CG 3.81Å; C948-L950 PolarHBondContact O-N 2.89Å; L950-L954 VanDerWaalsContact O-CB 3.23Å; L950-L954 WeakPolarHBondContact O-CB 3.34Å; L950-L954 PolarHBondContact O-N 2.92Å
951	I	80.6	Confident	80.2	Confident	73 Å²	73	62.2 Å²	62.2	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-70.1	-34.2	179	-154.9	63.5	0	0	0	112.7	P949 S955 T980 M984	P949-I951 HydrophobicContact CB-CG2 4.35Å; P949-I951 PolarHBondContact O-N 2.81Å; P949-I951 VanDerWaalsContact O-N 3.1Å; I951-S955 VanDerWaalsContact O-CB 3.3Å; I951-S955 WeakPolarHBondContact O-CB 3.31Å; I951-S955 PolarHBondContact O-N 3.01Å; I951-T980 HydrophobicContact CD1-CG2 3.95Å; I951-M984 HydrophobicContact CD1-CE 3.26Å; I951-M984 HydrophobicContact CD1-SD 4.07Å; I951-M984 HydrophobicContact CG1-CE 3.62Å
952	D	79.8	Confident	80.3	Confident	77 Å²	77	59.9 Å²	59.9	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-76.9	-41.9	179.6	-68.8	-25.5	0	0	0	110.6	P949 L954 S955 Q956	P949-D952 HydrophobicContact CB-CB 4.37Å; P949-D952 WeakPolarHBondContact CG-OD2 3.42Å; P949-D952 PolarHBondContact O-N 2.85Å; D952-L954 VanDerWaalsContact C-N 3.32Å; D952-L954 PolarHBondContact O-N 2.85Å; D952-S955 PolarHBondContact O-N 3.34Å; D952-Q956 WeakPolarHBondContact O-CB 3.47Å; D952-Q956 VanDerWaalsContact O-CG 3.3Å; D952-Q956 WeakPolarHBondContact O-CG 3.37Å; D952-Q956 PolarHBondContact O-N 3Å
953	N	81.8	Confident	80.5	Confident	11 Å²	11	54.9 Å²	54.9	6%	0.059	32%	0.317	C	S	.	.	H	α-helix	trans	-59.9	-44.9	172.1	-87.4	-22.7	0	0	0	110.8	W944 V945 C948 P949 Q956 S957	W944-N953 HydrophobicContact CD2-CB 3.68Å; W944-N953 HydrophobicContact CE3-CB 3.94Å; W944-N953 HydrophobicContact CG-CB 3.96Å; W944-N953 HydrophobicContact CZ2-CB 4.42Å; W944-N953 HydrophobicContact CZ3-CB 4.43Å; V945-N953 PolarHBondContact O-ND2 2.96Å; C948-N953 WeakPolarHBondContact CB-OD1 3.27Å; P949-N953 PolarHBondContact O-N 3.29Å; N953-Q956 PolarHBondContact O-N 3.41Å; N953-S957 WeakPolarHBondContact O-CB 3.46Å; N953-S957 PolarHBondContact O-N 3.18Å; N953-S957 PolarHBondContact O-OG 3.12Å; N953-S957 VanDerWaalsContact O-OG 3.11Å
954	L	84.1	Confident	80.8	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-48	176.2	-178.3	63.6	0	0	0	112.4	F905 M907 W944 L950 D952 S957 I958 T980 A981 M984	F905-L954 HydrophobicContact CE1-CD1 3.79Å; F905-L954 HydrophobicContact CZ-CD1 4.08Å; M907-L954 HydrophobicContact CE-CD1 4.34Å; M907-L954 HydrophobicContact SD-CD1 4.06Å; W944-L954 HydrophobicContact CH2-CB 4.4Å; W944-L954 HydrophobicContact CZ2-CB 4.17Å; W944-L954 HydrophobicContact CZ2-CD1 4.28Å; L950-L954 VanDerWaalsContact O-CB 3.23Å; L950-L954 WeakPolarHBondContact O-CB 3.34Å; L950-L954 PolarHBondContact O-N 2.92Å; D952-L954 VanDerWaalsContact C-N 3.32Å; D952-L954 PolarHBondContact O-N 2.85Å; L954-S957 PolarHBondContact O-N 2.72Å; L954-I958 HydrophobicContact CD1-CD1 4.11Å; L954-I958 HydrophobicContact CG-CD1 4.13Å; L954-I958 WeakPolarHBondContact O-CG1 3.49Å; L954-I958 PolarHBondContact O-N 3.41Å; L954-T980 HydrophobicContact CD2-CG2 4.41Å; L954-A981 HydrophobicContact CD1-CB 3.86Å; L954-A981 HydrophobicContact CD2-CB 4.02Å; L954-A981 HydrophobicContact CG-CB 4.44Å; L954-M984 HydrophobicContact CD2-SD 3.88Å; L954-M984 HydrophobicContact CG-SD 4.16Å
955	S	82.7	Confident	80.9	Confident	40 Å²	40	50.8 Å²	50.8	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-45	178.3	-177.8	0	0	0	0	111.6	I951 D952 I958 H959	I951-S955 VanDerWaalsContact O-CB 3.3Å; I951-S955 WeakPolarHBondContact O-CB 3.31Å; I951-S955 PolarHBondContact O-N 3.01Å; D952-S955 PolarHBondContact O-N 3.34Å; S955-I958 PolarHBondContact O-N 3.22Å; S955-H959 PolarHBondContact O-N 3.37Å; S955-H959 PolarHBondContact O-ND1 2.81Å
956	Q	80.6	Confident	81.3	Confident	85 Å²	85	46.9 Å²	46.9	40%	0.397	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-43.6	177.7	-74.6	-170.5	29.5	0	0	112.3	D952 N953 I958 H959 K960	D952-Q956 WeakPolarHBondContact O-CB 3.47Å; D952-Q956 VanDerWaalsContact O-CG 3.3Å; D952-Q956 WeakPolarHBondContact O-CG 3.37Å; D952-Q956 PolarHBondContact O-N 3Å; N953-Q956 PolarHBondContact O-N 3.41Å; Q956-I958 VanDerWaalsContact C-N 3.29Å; Q956-I958 PolarHBondContact O-N 3.02Å; Q956-H959 PolarHBondContact O-N 3.47Å; Q956-K960 VanDerWaalsContact O-CB 3.24Å; Q956-K960 WeakPolarHBondContact O-CB 3.49Å; Q956-K960 WeakPolarHBondContact O-CG 3.41Å; Q956-K960 PolarHBondContact O-N 3.12Å
957	S	85.3	Confident	81.7	Confident	10 Å²	10	40.9 Å²	40.9	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-38.7	177	-70.8	0	0	0	0	112.1	C938 W944 N953 L954 S961	C938-S957 PolarHBondContact SG-OG 2.77Å; C938-S957 VanDerWaalsContact SG-OG 3.37Å; W944-S957 PolarHBondContact NE1-OG 2.95Å; N953-S957 WeakPolarHBondContact O-CB 3.46Å; N953-S957 PolarHBondContact O-N 3.18Å; N953-S957 PolarHBondContact O-OG 3.12Å; N953-S957 VanDerWaalsContact O-OG 3.11Å; L954-S957 PolarHBondContact O-N 2.72Å; S957-S961 VanDerWaalsContact O-CB 3.28Å; S957-S961 WeakPolarHBondContact O-CB 3.45Å; S957-S961 PolarHBondContact O-N 2.98Å; S957-S961 PolarHBondContact O-OG 2.82Å
958	I	81.8	Confident	82.1	Confident	1 Å²	1	37 Å²	37	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-43.5	176.3	-67.8	169.2	0	0	0	111.2	F905 L954 S955 Q956 M984 A985 R988	F905-I958 HydrophobicContact CD1-CG1 3.93Å; F905-I958 HydrophobicContact CE1-CG1 4.18Å; L954-I958 HydrophobicContact CD1-CD1 4.11Å; L954-I958 HydrophobicContact CG-CD1 4.13Å; L954-I958 WeakPolarHBondContact O-CG1 3.49Å; L954-I958 PolarHBondContact O-N 3.41Å; S955-I958 PolarHBondContact O-N 3.22Å; Q956-I958 VanDerWaalsContact C-N 3.29Å; Q956-I958 PolarHBondContact O-N 3.02Å; I958-M984 HydrophobicContact CD1-CB 3.75Å; I958-A985 HydrophobicContact CG2-CB 4.49Å; I958-R988 PolarHBondContact O-NH1 3.3Å
959	H	78.8	Confident	82.2	Confident	87 Å²	87	34.6 Å²	34.6	40%	0.403	18%	0.178	S	C	.	.	H	α-helix	trans	-77	-32.3	-177.9	-71.6	81.3	0	0	0	113.6	S955 Q956 S961 E992	S955-H959 PolarHBondContact O-N 3.37Å; S955-H959 PolarHBondContact O-ND1 2.81Å; Q956-H959 PolarHBondContact O-N 3.47Å; H959-S961 VanDerWaalsContact C-N 3.26Å; H959-S961 PolarHBondContact O-N 2.8Å; H959-E992 IonicContact CD2-OE1 3.49Å; H959-E992 IonicContact NE2-OE1 3.84Å
960	K	77.6	Confident	81.8	Confident	97 Å²	97	36.4 Å²	36.4	42%	0.422	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.8	178.6	-70.3	176.8	174.6	168.7	0	113.7	V901 Y902 Q956	V901-K960 PolarHBondContact N-O 2.89Å; Y902-K960 HydrophobicContact CD2-CB 4.47Å; Y902-K960 PolarHBondContact N-O 2.85Å; Q956-K960 VanDerWaalsContact O-CB 3.24Å; Q956-K960 WeakPolarHBondContact O-CB 3.49Å; Q956-K960 WeakPolarHBondContact O-CG 3.41Å; Q956-K960 PolarHBondContact O-N 3.12Å
961	S	83.1	Confident	81.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-110	142.9	179.2	-55.3	0	0	0	0	112.2	Y902 F905 S957 H959 R963 R988	Y902-S961 WeakPolarHBondContact CB-OG 3.22Å; Y902-S961 VanDerWaalsContact O-CA 3.29Å; Y902-S961 WeakPolarHBondContact O-CA 3.13Å; F905-S961 WeakPolarHBondContact CB-OG 3.26Å; F905-S961 PolarHBondContact N-OG 3.37Å; S957-S961 VanDerWaalsContact O-CB 3.28Å; S957-S961 WeakPolarHBondContact O-CB 3.45Å; S957-S961 PolarHBondContact O-N 2.98Å; S957-S961 PolarHBondContact O-OG 2.82Å; H959-S961 VanDerWaalsContact C-N 3.26Å; H959-S961 PolarHBondContact O-N 2.8Å; S961-R963 WeakPolarHBondContact CB-O 3.28Å; S961-R988 PolarHBondContact O-NH1 2.97Å
962	K	79.4	Confident	81.4	Confident	59 Å²	59	37 Å²	37	26%	0.257	17%	0.174	S	C	.	.	S	Bend	trans	-67.1	-35.8	174	-75.4	171.8	-169.4	158.5	0	113.2	E900 Y902 D903 V996	E900-K962 HydrophobicContact CB-CG 4.04Å; E900-K962 HydrophobicContact CG-CG 4.13Å; E900-K962 WeakPolarHBondContact OE2-CD 3.39Å; E900-K962 WeakPolarHBondContact OE2-CE 3.46Å; E900-K962 WeakPolarHBondContact OE2-CG 3.19Å; Y902-K962 PolarHBondContact O-N 3.28Å; D903-K962 WeakPolarHBondContact O-CB 3.49Å; D903-K962 IonicContact OD1-NZ 2.8Å; D903-K962 PolarHBondContact OD1-NZ 3.36Å; K962-V996 WeakPolarHBondContact O-CG1 3.49Å
963	R	84.4	Confident	80.9	Confident	8 Å²	8	36.2 Å²	36.2	3%	0.03	17%	0.169	C	C	.	.			trans	-132.7	153.8	-177.4	-61.9	-65.1	-175.5	-167.5	-9.9	110.6	D903 A904 F905 S961 D995 V996 L1044 T1046 S1048	D903-R963 PolarHBondContact O-N 3.33Å; A904-R963 CarbonylContact C-O 3.57Å; A904-R963 VanDerWaalsContact CA-O 3.27Å; A904-R963 WeakPolarHBondContact CA-O 3.47Å; A904-R963 HydrophobicContact CB-CB 4.16Å; F905-R963 PolarHBondContact N-O 2.98Å; S961-R963 WeakPolarHBondContact CB-O 3.28Å; R963-D995 PolarHBondContact NH1-O 2.81Å; R963-V996 CarbonylContact C-O 3.09Å; R963-V996 WeakPolarHBondContact CA-O 3.47Å; R963-L1044 HydrophobicContact CB-CD2 3.74Å; R963-L1044 HydrophobicContact CG-CD2 3.85Å; R963-T1046 PolarHBondContact NH2-O 2.81Å; R963-S1048 PolarHBondContact NH1-OG 2.8Å; R963-S1048 VanDerWaalsContact NH2-CA 3.3Å; R963-S1048 PolarHBondContact NH2-OG 2.91Å
964	T	87	Confident	80.2	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	110.6	169.8	-53	0	0	0	0	108.4	F905 F966 A985 V996 V998	F905-T964 HydrophobicContact CD1-CG2 3.84Å; F905-T964 CarbonylContact O-C 3.59Å; F905-T964 WeakPolarHBondContact O-CA 3.3Å; T964-F966 HydrophobicContact CG2-CD2 4.3Å; T964-F966 HydrophobicContact CG2-CE1 4.36Å; T964-F966 HydrophobicContact CG2-CE2 3.59Å; T964-F966 HydrophobicContact CG2-CZ 3.62Å; T964-A985 HydrophobicContact CG2-CB 4.5Å; T964-V996 PolarHBondContact N-O 3.38Å; T964-V998 PolarHBondContact O-N 3.48Å
965	V	87.8	Confident	79.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.1	-177.1	-178.1	0	0	0	0	109.1	A904 F905 V906 M907 M923 V998 I1000 L1044	A904-V965 HydrophobicContact CB-CG2 3.94Å; F905-V965 PolarHBondContact O-N 3.34Å; V906-V965 CarbonylContact C-O 3.5Å; V906-V965 WeakPolarHBondContact CA-O 3.34Å; V906-V965 HydrophobicContact CG1-CB 4.44Å; V906-V965 HydrophobicContact CG1-CG1 4.49Å; V906-V965 HydrophobicContact CG2-CB 4.31Å; M907-V965 PolarHBondContact N-O 3.18Å; M923-V965 HydrophobicContact CE-CG1 4.19Å; V965-V998 CarbonylContact C-O 3.52Å; V965-V998 WeakPolarHBondContact CA-O 3.49Å; V965-V998 HydrophobicContact CG2-CB 4.09Å; V965-V998 HydrophobicContact CG2-CG1 4.49Å; V965-I1000 HydrophobicContact CG1-CD1 3.47Å; V965-I1000 VanDerWaalsContact CG1-CD1 3.47Å; V965-I1000 HydrophobicContact CG1-CG1 3.96Å; V965-L1044 HydrophobicContact CG2-CD2 3.76Å
966	F	87.5	Confident	78.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.2	174.7	-62.1	-90	0	0	0	110	M907 T964 L968 F978 A981 F982 A985 I997 V998 L999 I1000	M907-F966 HydrophobicContact CB-CD1 4.04Å; M907-F966 HydrophobicContact CB-CE1 4.29Å; M907-F966 HydrophobicContact CG-CD1 4.42Å; T964-F966 HydrophobicContact CG2-CD2 4.3Å; T964-F966 HydrophobicContact CG2-CE1 4.36Å; T964-F966 HydrophobicContact CG2-CE2 3.59Å; T964-F966 HydrophobicContact CG2-CZ 3.62Å; F966-L968 HydrophobicContact CB-CD2 4.1Å; F966-L968 HydrophobicContact CB-CG 4.38Å; F966-F978 HydrophobicContact CB-CE2 4.27Å; F966-F978 AromaticContact CD1-CD2 3.69Å; F966-F978 HydrophobicContact CD1-CD2 3.69Å; F966-F978 AromaticContact CD1-CE2 3.67Å; F966-F978 HydrophobicContact CD1-CE2 3.67Å; F966-F978 HydrophobicContact CE1-CD2 4.16Å; F966-F978 HydrophobicContact CE1-CE2 4.21Å; F966-F978 HydrophobicContact CG-CD2 4.47Å; F966-F978 HydrophobicContact CG-CE2 4.05Å; F966-A981 HydrophobicContact CE1-CB 4.07Å; F966-F982 HydrophobicContact CE1-CB 4.38Å; F966-F982 HydrophobicContact CE2-CD2 4.25Å; F966-F982 HydrophobicContact CZ-CB 4.33Å; F966-F982 HydrophobicContact CZ-CD2 4.29Å; F966-A985 HydrophobicContact CE2-CB 4.35Å; F966-A985 HydrophobicContact CZ-CB 4.2Å; F966-I997 HydrophobicContact CD2-CG2 3.96Å; F966-I997 HydrophobicContact CE2-CG1 4.35Å; F966-I997 HydrophobicContact CE2-CG2 3.96Å; F966-V998 PolarHBondContact N-O 2.92Å; F966-L999 HydrophobicContact CB-CD2 3.74Å; F966-L999 HydrophobicContact CD2-CD2 3.86Å; F966-L999 HydrophobicContact CG-CD2 4.12Å; F966-I1000 PolarHBondContact O-N 3.44Å
967	I	86.3	Confident	78.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.4	174.7	-60.8	172.8	0	0	0	107.8	V906 M907 F908 V915 W918 V919 M923 Y972 I1000 L1002	V906-I967 HydrophobicContact CG1-CD1 3.54Å; V906-I967 HydrophobicContact CG1-CG1 4.12Å; M907-I967 PolarHBondContact O-N 3.44Å; F908-I967 HydrophobicContact CB-CB 3.96Å; F908-I967 HydrophobicContact CB-CD1 4.2Å; V915-I967 HydrophobicContact CG1-CG2 3.9Å; W918-I967 HydrophobicContact CE3-CD1 4.34Å; W918-I967 HydrophobicContact CZ3-CD1 3.86Å; V919-I967 HydrophobicContact CG2-CD1 3.25Å; M923-I967 HydrophobicContact SD-CD1 3.79Å; I967-Y972 WeakPolarHBondContact O-CD1 3.45Å; I967-I1000 HydrophobicContact CG1-CB 4.4Å; I967-L1002 HydrophobicContact CG2-CD1 3.57Å; I967-L1002 HydrophobicContact CG2-CG 3.84Å
968	L	81.4	Confident	77.8	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122	-167.7	-59.8	-178.9	0	0	0	111.1	F966 Y972 I973 F978 L999 I1000 F1001	F966-L968 HydrophobicContact CB-CD2 4.1Å; F966-L968 HydrophobicContact CB-CG 4.38Å; L968-Y972 HydrophobicContact CD2-CD1 4.34Å; L968-I973 HydrophobicContact CB-CD1 4.3Å; L968-I973 HydrophobicContact CB-CG1 4.28Å; L968-I973 HydrophobicContact CD2-CG1 4.12Å; L968-F978 HydrophobicContact CD2-CD2 3.98Å; L968-F978 HydrophobicContact CD2-CE2 3.61Å; L968-F978 HydrophobicContact CD2-CZ 4.09Å; L968-L999 HydrophobicContact CD1-CB 4.34Å; L968-L999 HydrophobicContact CD1-CD2 4.15Å; L968-I1000 PolarHBondContact N-O 3.2Å; L968-F1001 HydrophobicContact CB-CD1 3.84Å; L968-F1001 HydrophobicContact CB-CE1 3.82Å; L968-F1001 HydrophobicContact CD1-CD1 4.33Å; L968-F1001 HydrophobicContact CD1-CE1 3.57Å; L968-F1001 HydrophobicContact CD1-CE2 4.25Å; L968-F1001 HydrophobicContact CD1-CZ 3.53Å; L968-F1001 HydrophobicContact CG-CE1 4.35Å
969	T	78.6	Confident	77.5	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.025	26%	0.264	C	S	.	.			trans	-112.9	166	163.9	64.8	0	0	0	0	109.9	V915 K971 Y972 I973	V915-T969 HydrophobicContact CG2-CG2 3.51Å; T969-K971 PolarHBondContact O-N 3.4Å; T969-Y972 PolarHBondContact O-N 3.1Å; T969-Y972 WeakPolarHBondContact OG1-CB 3.29Å; T969-Y972 PolarHBondContact OG1-N 3.05Å; T969-I973 WeakPolarHBondContact O-CG1 3.48Å; T969-I973 PolarHBondContact O-N 3.17Å
970	K	72.2	Confident	77.5	Confident	109 Å²	109	53 Å²	53	47%	0.474	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.3	179	-79.1	177.6	-177.4	173.3	0	113.3	V1005	K970-V1005 HydrophobicContact CG-CB 4.49Å; K970-V1005 HydrophobicContact CG-CG1 3.92Å; K970-V1005 HydrophobicContact CG-CG2 4.06Å
971	K	72.5	Confident	77.5	Confident	163 Å²	163	48.4 Å²	48.4	71%	0.709	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-43.7	179.9	-71.6	-177.9	178.8	175.2	0	112.1	T969 I973 Q974	T969-K971 PolarHBondContact O-N 3.4Å; K971-I973 VanDerWaalsContact C-N 3.34Å; K971-I973 PolarHBondContact O-N 2.77Å; K971-Q974 PolarHBondContact O-N 3.13Å
972	Y	76.3	Confident	77.4	Confident	17 Å²	17	49.9 Å²	49.9	7%	0.067	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-66	-33.2	-173.4	-169.1	-121	0	0	0	114.2	M907 F908 D909 I967 L968 T969 Q974 G975 F978	M907-Y972 WeakPolarHBondContact CG-OH 3.27Å; F908-Y972 VanDerWaalsContact C-CZ 3.43Å; F908-Y972 WeakPolarHBondContact O-CE2 3.31Å; F908-Y972 VanDerWaalsContact O-CZ 3.27Å; F908-Y972 PolarHBondContact O-OH 3.27Å; F908-Y972 VanDerWaalsContact O-OH 3.05Å; D909-Y972 HydrophobicContact CB-CD2 3.32Å; D909-Y972 HydrophobicContact CB-CE2 3.92Å; D909-Y972 HydrophobicContact CB-CG 3.78Å; I967-Y972 WeakPolarHBondContact O-CD1 3.45Å; L968-Y972 HydrophobicContact CD2-CD1 4.34Å; T969-Y972 PolarHBondContact O-N 3.1Å; T969-Y972 WeakPolarHBondContact OG1-CB 3.29Å; T969-Y972 PolarHBondContact OG1-N 3.05Å; Y972-Q974 PolarHBondContact O-N 3.12Å; Y972-Q974 VanDerWaalsContact O-N 3.12Å; Y972-G975 PolarHBondContact O-N 3.37Å; Y972-F978 HydrophobicContact CD1-CB 4.45Å; Y972-F978 HydrophobicContact CE1-CB 4.05Å; Y972-F978 HydrophobicContact CE1-CD2 4.27Å
973	I	69.8	Low	77.5	Confident	61 Å²	61	53.2 Å²	53.2	31%	0.313	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.3	177.9	-66.5	167.1	0	0	0	112.1	L968 T969 K971 F1001 V1005	L968-I973 HydrophobicContact CB-CD1 4.3Å; L968-I973 HydrophobicContact CB-CG1 4.28Å; L968-I973 HydrophobicContact CD2-CG1 4.12Å; T969-I973 WeakPolarHBondContact O-CG1 3.48Å; T969-I973 PolarHBondContact O-N 3.17Å; K971-I973 VanDerWaalsContact C-N 3.34Å; K971-I973 PolarHBondContact O-N 2.77Å; I973-F1001 HydrophobicContact CD1-CE1 4.45Å; I973-V1005 HydrophobicContact CD1-CG1 4.42Å
974	Q	66.6	Low	77.3	Confident	176 Å²	176	55.2 Å²	55.2	82%	0.822	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-86.8	-4.6	179.4	-61.4	-177.1	-5.1	0	0	113.1	K971 Y972	K971-Q974 PolarHBondContact O-N 3.13Å; Y972-Q974 PolarHBondContact O-N 3.12Å; Y972-Q974 VanDerWaalsContact O-N 3.12Å
975	G	67.7	Low	76.9	Confident	30 Å²	30	55.2 Å²	55.2	31%	0.309	27%	0.273	S	S	.	.	S	Bend	trans	-79.5	146.6	-179.2	0	0	0	0	0	114.3	Y972	Y972-G975 PolarHBondContact O-N 3.37Å
976	G	66.8	Low	76.5	Confident	53 Å²	53	58.1 Å²	58.1	55%	0.546	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-35.1	-179.8	0	0	0	0	0	114.5	F978 R979 T980	G976-F978 PolarHBondContact O-N 3.18Å; G976-R979 PolarHBondContact O-N 3.05Å; G976-T980 PolarHBondContact O-N 3.49Å; G976-T980 PolarHBondContact O-OG1 3.35Å
977	N	69.9	Low	76	Confident	81 Å²	81	63.5 Å²	63.5	43%	0.433	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-38.4	-176.4	-67.7	-0.6	0	0	0	112.6	M907 R979 T980 A981	M907-N977 HydrophobicContact CE-CB 4.41Å; N977-R979 VanDerWaalsContact C-N 3.33Å; N977-R979 PolarHBondContact O-N 2.72Å; N977-T980 PolarHBondContact O-N 3.2Å; N977-A981 WeakPolarHBondContact O-CB 3.37Å; N977-A981 PolarHBondContact O-N 3.26Å; N977-A981 VanDerWaalsContact O-N 3.09Å
978	F	78.2	Confident	75.5	Confident	29 Å²	29	64.2 Å²	64.2	13%	0.127	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-46.4	173.5	167.2	-106.1	0	0	0	111	F966 L968 Y972 G976 T980 A981 F982	F966-F978 HydrophobicContact CB-CE2 4.27Å; F966-F978 AromaticContact CD1-CD2 3.69Å; F966-F978 HydrophobicContact CD1-CD2 3.69Å; F966-F978 AromaticContact CD1-CE2 3.67Å; F966-F978 HydrophobicContact CD1-CE2 3.67Å; F966-F978 HydrophobicContact CE1-CD2 4.16Å; F966-F978 HydrophobicContact CE1-CE2 4.21Å; F966-F978 HydrophobicContact CG-CD2 4.47Å; F966-F978 HydrophobicContact CG-CE2 4.05Å; L968-F978 HydrophobicContact CD2-CD2 3.98Å; L968-F978 HydrophobicContact CD2-CE2 3.61Å; L968-F978 HydrophobicContact CD2-CZ 4.09Å; Y972-F978 HydrophobicContact CD1-CB 4.45Å; Y972-F978 HydrophobicContact CE1-CB 4.05Å; Y972-F978 HydrophobicContact CE1-CD2 4.27Å; G976-F978 PolarHBondContact O-N 3.18Å; F978-T980 PolarHBondContact O-N 3.48Å; F978-A981 PolarHBondContact O-N 2.81Å; F978-F982 HydrophobicContact CE2-CB 4.17Å; F978-F982 AromaticContact CE2-CD2 3.95Å; F978-F982 HydrophobicContact CE2-CD2 3.95Å; F978-F982 HydrophobicContact CE2-CG 4.34Å; F978-F982 HydrophobicContact CZ-CB 4.2Å; F978-F982 AromaticContact CZ-CD2 3.81Å; F978-F982 HydrophobicContact CZ-CD2 3.81Å; F978-F982 HydrophobicContact CZ-CE2 4.48Å; F978-F982 HydrophobicContact CZ-CG 4.06Å; F978-F982 WeakPolarHBondContact O-CB 3.29Å; F978-F982 PolarHBondContact O-N 3.4Å
979	R	75.7	Confident	75.1	Confident	158 Å²	158	65.9 Å²	65.9	60%	0.596	32%	0.322	S	S	*	.	H	α-helix	trans	-61.1	-44.1	-177.4	-170.5	173.2	-176.4	-170.1	-6.2	111.7	G976 N977 Y983	G976-R979 PolarHBondContact O-N 3.05Å; N977-R979 VanDerWaalsContact C-N 3.33Å; N977-R979 PolarHBondContact O-N 2.72Å; R979-Y983 HydrophobicContact CG-CD2 3.83Å; R979-Y983 HydrophobicContact CG-CE2 3.5Å; R979-Y983 WeakPolarHBondContact O-CD2 3.38Å; R979-Y983 PolarHBondContact O-N 2.99Å
980	T	78.2	Confident	74.7	Confident	64 Å²	64	72.1 Å²	72.1	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-49.8	178.9	-53.8	0	0	0	0	111.9	I951 L954 G976 N977 F978 F982 Y983 M984	I951-T980 HydrophobicContact CD1-CG2 3.95Å; L954-T980 HydrophobicContact CD2-CG2 4.41Å; G976-T980 PolarHBondContact O-N 3.49Å; G976-T980 PolarHBondContact O-OG1 3.35Å; N977-T980 PolarHBondContact O-N 3.2Å; F978-T980 PolarHBondContact O-N 3.48Å; T980-F982 VanDerWaalsContact C-N 3.33Å; T980-F982 PolarHBondContact O-N 2.8Å; T980-Y983 PolarHBondContact O-N 3.45Å; T980-M984 WeakPolarHBondContact O-CG 3.33Å; T980-M984 PolarHBondContact O-N 3.12Å
981	A	79.2	Confident	74.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.8	-38.8	178.9	0	0	0	0	0	112.6	M907 L954 F966 N977 F978 M984 A985	M907-A981 HydrophobicContact CE-CB 4.09Å; M907-A981 HydrophobicContact SD-CB 3.32Å; M907-A981 WeakPolarHBondContact SD-CB 3.39Å; L954-A981 HydrophobicContact CD1-CB 3.86Å; L954-A981 HydrophobicContact CD2-CB 4.02Å; L954-A981 HydrophobicContact CG-CB 4.44Å; F966-A981 HydrophobicContact CE1-CB 4.07Å; N977-A981 WeakPolarHBondContact O-CB 3.37Å; N977-A981 PolarHBondContact O-N 3.26Å; N977-A981 VanDerWaalsContact O-N 3.09Å; F978-A981 PolarHBondContact O-N 2.81Å; A981-M984 PolarHBondContact O-N 2.85Å; A981-A985 WeakPolarHBondContact O-CB 3.33Å; A981-A985 PolarHBondContact O-N 2.84Å
982	F	80.9	Confident	74.3	Confident	32 Å²	32	69.1 Å²	69.1	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-42.4	176.7	-174.4	-92	0	0	0	112	F966 F978 T980 H986 I997 Y1011	F966-F982 HydrophobicContact CE1-CB 4.38Å; F966-F982 HydrophobicContact CE2-CD2 4.25Å; F966-F982 HydrophobicContact CZ-CB 4.33Å; F966-F982 HydrophobicContact CZ-CD2 4.29Å; F978-F982 HydrophobicContact CE2-CB 4.17Å; F978-F982 AromaticContact CE2-CD2 3.95Å; F978-F982 HydrophobicContact CE2-CD2 3.95Å; F978-F982 HydrophobicContact CE2-CG 4.34Å; F978-F982 HydrophobicContact CZ-CB 4.2Å; F978-F982 AromaticContact CZ-CD2 3.81Å; F978-F982 HydrophobicContact CZ-CD2 3.81Å; F978-F982 HydrophobicContact CZ-CE2 4.48Å; F978-F982 HydrophobicContact CZ-CG 4.06Å; F978-F982 WeakPolarHBondContact O-CB 3.29Å; F978-F982 PolarHBondContact O-N 3.4Å; T980-F982 VanDerWaalsContact C-N 3.33Å; T980-F982 PolarHBondContact O-N 2.8Å; F982-H986 VanDerWaalsContact O-CB 3.31Å; F982-H986 WeakPolarHBondContact O-CB 3.35Å; F982-H986 PolarHBondContact O-N 3.43Å; F982-I997 HydrophobicContact CE2-CD1 4.24Å; F982-I997 HydrophobicContact CE2-CG2 4.29Å; F982-Y1011 HydrophobicContact CE1-CE1 4.39Å; F982-Y1011 HydrophobicContact CE2-CE1 4.21Å; F982-Y1011 HydrophobicContact CZ-CD1 4.09Å; F982-Y1011 AromaticContact CZ-CE1 3.45Å; F982-Y1011 HydrophobicContact CZ-CE1 3.45Å; F982-Y1011 VanDerWaalsContact CZ-CE1 3.45Å; F982-Y1011 HydrophobicContact CZ-CE2 4.36Å; F982-Y1011 AromaticContact CZ-CZ 3.59Å
983	Y	80.6	Confident	73.8	Confident	129 Å²	129	74.5 Å²	74.5	51%	0.506	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-39.3	174	-81.4	-59.3	0	0	0	112.4	R979 T980 H986 Q987	R979-Y983 HydrophobicContact CG-CD2 3.83Å; R979-Y983 HydrophobicContact CG-CE2 3.5Å; R979-Y983 WeakPolarHBondContact O-CD2 3.38Å; R979-Y983 PolarHBondContact O-N 2.99Å; T980-Y983 PolarHBondContact O-N 3.45Å; Y983-H986 PolarHBondContact O-N 3.38Å; Y983-Q987 WeakPolarHBondContact O-CB 3.48Å; Y983-Q987 PolarHBondContact O-N 2.71Å
984	M	80.4	Confident	73.6	Confident	50 Å²	50	73.2 Å²	73.2	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-45	177	-73.5	-175.4	160.7	0	0	112.7	I951 L954 I958 T980 A981 H986 Q987 R988	I951-M984 HydrophobicContact CD1-CE 3.26Å; I951-M984 HydrophobicContact CD1-SD 4.07Å; I951-M984 HydrophobicContact CG1-CE 3.62Å; L954-M984 HydrophobicContact CD2-SD 3.88Å; L954-M984 HydrophobicContact CG-SD 4.16Å; I958-M984 HydrophobicContact CD1-CB 3.75Å; T980-M984 WeakPolarHBondContact O-CG 3.33Å; T980-M984 PolarHBondContact O-N 3.12Å; A981-M984 PolarHBondContact O-N 2.85Å; M984-H986 PolarHBondContact O-N 3.45Å; M984-Q987 PolarHBondContact O-N 3.33Å; M984-R988 PolarHBondContact O-N 3.03Å; M984-R988 VanDerWaalsContact O-N 3.12Å
985	A	78.6	Confident	73.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.7	-32.7	174.7	0	0	0	0	0	111.8	I958 T964 F966 A981 V996 I997	I958-A985 HydrophobicContact CG2-CB 4.49Å; T964-A985 HydrophobicContact CG2-CB 4.5Å; F966-A985 HydrophobicContact CE2-CB 4.35Å; F966-A985 HydrophobicContact CZ-CB 4.2Å; A981-A985 WeakPolarHBondContact O-CB 3.33Å; A981-A985 PolarHBondContact O-N 2.84Å; A985-V996 HydrophobicContact CB-CG2 4.47Å; A985-I997 HydrophobicContact CB-CD1 4.09Å; A985-I997 HydrophobicContact CB-CG1 3.86Å
986	H	79.3	Confident	74.3	Confident	61 Å²	61	63.8 Å²	63.8	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-73.4	-35.4	174.2	-170.5	56.9	0	0	0	113	F982 Y983 M984 R988 L989 M990 I997	F982-H986 VanDerWaalsContact O-CB 3.31Å; F982-H986 WeakPolarHBondContact O-CB 3.35Å; F982-H986 PolarHBondContact O-N 3.43Å; Y983-H986 PolarHBondContact O-N 3.38Å; M984-H986 PolarHBondContact O-N 3.45Å; H986-R988 VanDerWaalsContact C-N 3.28Å; H986-R988 PolarHBondContact O-N 2.95Å; H986-L989 WeakPolarHBondContact O-CB 3.35Å; H986-L989 PolarHBondContact O-N 2.92Å; H986-L989 VanDerWaalsContact O-N 3.16Å; H986-M990 PolarHBondContact O-N 2.94Å; H986-I997 HydrophobicContact CB-CD1 4.44Å
987	Q	75.9	Confident	75.1	Confident	113 Å²	113	61.3 Å²	61.3	53%	0.528	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-38.1	174.3	-177.8	172.8	-13.4	0	0	111	Y983 M984 L989 M990 D991	Y983-Q987 WeakPolarHBondContact O-CB 3.48Å; Y983-Q987 PolarHBondContact O-N 2.71Å; M984-Q987 PolarHBondContact O-N 3.33Å; Q987-L989 VanDerWaalsContact C-N 3.27Å; Q987-L989 PolarHBondContact O-N 3.45Å; Q987-M990 WeakPolarHBondContact O-CA 3.49Å; Q987-M990 PolarHBondContact O-N 2.77Å; Q987-D991 VanDerWaalsContact CG-OD2 3.27Å; Q987-D991 WeakPolarHBondContact CG-OD2 3.47Å; Q987-D991 PolarHBondContact NE2-OD2 2.87Å; Q987-D991 VanDerWaalsContact NE2-OD2 3.12Å; Q987-D991 PolarHBondContact O-N 3.37Å
988	R	76.4	Confident	75.8	Confident	16 Å²	16	57.5 Å²	57.5	6%	0.06	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-35.2	173.4	-166.2	175.8	178.8	-161	-5.2	113.2	I958 S961 M984 H986 M990 E992	I958-R988 PolarHBondContact O-NH1 3.3Å; S961-R988 PolarHBondContact O-NH1 2.97Å; M984-R988 PolarHBondContact O-N 3.03Å; M984-R988 VanDerWaalsContact O-N 3.12Å; H986-R988 VanDerWaalsContact C-N 3.28Å; H986-R988 PolarHBondContact O-N 2.95Å; R988-M990 VanDerWaalsContact C-N 3.34Å; R988-E992 HydrophobicContact CG-CB 4.38Å; R988-E992 HydrophobicContact CG-CG 4.18Å; R988-E992 WeakPolarHBondContact CG-OE2 3.42Å; R988-E992 IonicContact CZ-OE2 3.61Å; R988-E992 IonicContact NE-OE1 3.86Å; R988-E992 IonicContact NE-OE2 2.6Å; R988-E992 PolarHBondContact NE-OE2 2.78Å; R988-E992 IonicContact NH2-OE2 3.71Å; R988-E992 PolarHBondContact NH2-OE2 3.16Å; R988-E992 WeakPolarHBondContact O-CA 3.38Å; R988-E992 WeakPolarHBondContact O-CB 3.35Å; R988-E992 PolarHBondContact O-N 3.46Å
989	L	72.4	Confident	76.1	Confident	37 Å²	37	56.1 Å²	56.1	19%	0.194	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-39	171.4	168.5	63	0	0	0	111.9	H986 Q987 K993 N994 D995	H986-L989 WeakPolarHBondContact O-CB 3.35Å; H986-L989 PolarHBondContact O-N 2.92Å; H986-L989 VanDerWaalsContact O-N 3.16Å; Q987-L989 VanDerWaalsContact C-N 3.27Å; Q987-L989 PolarHBondContact O-N 3.45Å; L989-K993 WeakPolarHBondContact O-CA 3.27Å; L989-K993 PolarHBondContact O-N 2.86Å; L989-K993 VanDerWaalsContact O-N 3.13Å; L989-N994 WeakPolarHBondContact CA-O 3.49Å; L989-D995 HydrophobicContact CD1-CB 3.87Å; L989-D995 HydrophobicContact CD2-CB 4.47Å
990	M	70.4	Confident	76.6	Confident	135 Å²	135	48.6 Å²	48.6	67%	0.665	23%	0.232	S	C	*	.	H	α-helix	trans	-74.6	-41.8	-179.3	-63.6	-64.6	-72.4	0	0	112.2	H986 Q987 R988	H986-M990 PolarHBondContact O-N 2.94Å; Q987-M990 WeakPolarHBondContact O-CA 3.49Å; Q987-M990 PolarHBondContact O-N 2.77Å; R988-M990 VanDerWaalsContact C-N 3.34Å
991	D	68.4	Low	76.9	Confident	114 Å²	114	46.4 Å²	46.4	61%	0.61	22%	0.217	S	C	*	.	H	α-helix	trans	-82.1	-42.7	-174.5	-67.1	-15.5	0	0	0	112.3	Q987	Q987-D991 VanDerWaalsContact CG-OD2 3.27Å; Q987-D991 WeakPolarHBondContact CG-OD2 3.47Å; Q987-D991 PolarHBondContact NE2-OD2 2.87Å; Q987-D991 VanDerWaalsContact NE2-OD2 3.12Å; Q987-D991 PolarHBondContact O-N 3.37Å
992	E	68.8	Low	77	Confident	95 Å²	95	48 Å²	48	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-103.6	-1.6	-176.3	-57.8	-177.5	175.2	0	0	113.7	H959 R988 N994	H959-E992 IonicContact CD2-OE1 3.49Å; H959-E992 IonicContact NE2-OE1 3.84Å; R988-E992 HydrophobicContact CG-CB 4.38Å; R988-E992 HydrophobicContact CG-CG 4.18Å; R988-E992 WeakPolarHBondContact CG-OE2 3.42Å; R988-E992 IonicContact CZ-OE2 3.61Å; R988-E992 IonicContact NE-OE1 3.86Å; R988-E992 IonicContact NE-OE2 2.6Å; R988-E992 PolarHBondContact NE-OE2 2.78Å; R988-E992 IonicContact NH2-OE2 3.71Å; R988-E992 PolarHBondContact NH2-OE2 3.16Å; R988-E992 WeakPolarHBondContact O-CA 3.38Å; R988-E992 WeakPolarHBondContact O-CB 3.35Å; R988-E992 PolarHBondContact O-N 3.46Å; E992-N994 PolarHBondContact O-N 3.3Å; E992-N994 VanDerWaalsContact O-N 3.17Å
993	K	65	Low	76.9	Confident	130 Å²	130	51 Å²	51	57%	0.565	24%	0.24	S	C	*	.	S	Bend	trans	56.7	20.5	-173.3	-63.5	-172.3	177.8	-172.7	0	114.9	L989 H1049	L989-K993 WeakPolarHBondContact O-CA 3.27Å; L989-K993 PolarHBondContact O-N 2.86Å; L989-K993 VanDerWaalsContact O-N 3.13Å; K993-H1049 PolarHBondContact O-CE1 3.08Å
994	N	65.8	Low	76.2	Confident	34 Å²	34	52.9 Å²	52.9	18%	0.182	25%	0.251	C	S	.	.			trans	-113.1	109.7	-176.4	-166.5	7.7	0	0	0	111.3	L989 E992 V996 S1048	L989-N994 WeakPolarHBondContact CA-O 3.49Å; E992-N994 PolarHBondContact O-N 3.3Å; E992-N994 VanDerWaalsContact O-N 3.17Å; N994-V996 PolarHBondContact O-N 3.44Å; N994-S1048 WeakPolarHBondContact OD1-CB 3.46Å; N994-S1048 PolarHBondContact OD1-OG 2.86Å
995	D	73.3	Confident	75.3	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.043	25%	0.249	C	C	.	.			trans	-76.6	107.8	175.6	-171.4	-14.9	0	0	0	109.5	R963 L989 I997 R1015 S1048	R963-D995 PolarHBondContact NH1-O 2.81Å; L989-D995 HydrophobicContact CD1-CB 3.87Å; L989-D995 HydrophobicContact CD2-CB 4.47Å; D995-I997 PolarHBondContact OD1-N 2.84Å; D995-I997 VanDerWaalsContact OD1-N 3.08Å; D995-R1015 IonicContact OD1-CZ 3.59Å; D995-R1015 IonicContact OD1-NH1 3.43Å; D995-R1015 PolarHBondContact OD1-NH1 2.88Å; D995-R1015 IonicContact OD1-NH2 2.92Å; D995-R1015 PolarHBondContact OD1-NH2 2.59Å; D995-R1015 IonicContact OD2-CZ 3.34Å; D995-R1015 IonicContact OD2-NH1 2.85Å; D995-R1015 PolarHBondContact OD2-NH1 2.82Å; D995-R1015 IonicContact OD2-NH2 3.06Å; D995-R1015 PolarHBondContact OD2-NH2 3.25Å; D995-S1048 PolarHBondContact O-OG 2.89Å
996	V	75.7	Confident	74.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.			trans	-100.1	-2.3	-177.7	-63	0	0	0	0	113.9	K962 R963 T964 A985 N994	K962-V996 WeakPolarHBondContact O-CG1 3.49Å; R963-V996 CarbonylContact C-O 3.09Å; R963-V996 WeakPolarHBondContact CA-O 3.47Å; T964-V996 PolarHBondContact N-O 3.38Å; A985-V996 HydrophobicContact CB-CG2 4.47Å; N994-V996 PolarHBondContact O-N 3.44Å
997	I	83.7	Confident	73.1	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.8	-165.2	-60.6	171.9	0	0	0	112.5	F966 F982 A985 H986 D995 L999 R1015	F966-I997 HydrophobicContact CD2-CG2 3.96Å; F966-I997 HydrophobicContact CE2-CG1 4.35Å; F966-I997 HydrophobicContact CE2-CG2 3.96Å; F982-I997 HydrophobicContact CE2-CD1 4.24Å; F982-I997 HydrophobicContact CE2-CG2 4.29Å; A985-I997 HydrophobicContact CB-CD1 4.09Å; A985-I997 HydrophobicContact CB-CG1 3.86Å; H986-I997 HydrophobicContact CB-CD1 4.44Å; D995-I997 PolarHBondContact OD1-N 2.84Å; D995-I997 VanDerWaalsContact OD1-N 3.08Å; I997-L999 HydrophobicContact CG2-CD2 3.85Å; I997-L999 HydrophobicContact CG2-CG 4.23Å; I997-R1015 PolarHBondContact O-NH2 3.38Å
998	V	83.8	Confident	72.3	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.8	170.8	-178.9	0	0	0	0	108.9	T964 V965 F966 L1040 V1043 L1044	T964-V998 PolarHBondContact O-N 3.48Å; V965-V998 CarbonylContact C-O 3.52Å; V965-V998 WeakPolarHBondContact CA-O 3.49Å; V965-V998 HydrophobicContact CG2-CB 4.09Å; V965-V998 HydrophobicContact CG2-CG1 4.49Å; F966-V998 PolarHBondContact N-O 2.92Å; V998-L1040 HydrophobicContact CG1-CD1 4.43Å; V998-V1043 HydrophobicContact CG1-CG1 4.2Å; V998-V1043 HydrophobicContact CG2-CG1 3.75Å; V998-L1044 HydrophobicContact CG2-CD2 4.42Å
999	L	85.4	Confident	71.8	Confident	1 Å²	1	59 Å²	59	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.5	-177.6	-56.1	-179.1	0	0	0	110.2	F966 L968 I997 F1001 L1012 S1022 V1023 L1024	F966-L999 HydrophobicContact CB-CD2 3.74Å; F966-L999 HydrophobicContact CD2-CD2 3.86Å; F966-L999 HydrophobicContact CG-CD2 4.12Å; L968-L999 HydrophobicContact CD1-CB 4.34Å; L968-L999 HydrophobicContact CD1-CD2 4.15Å; I997-L999 HydrophobicContact CG2-CD2 3.85Å; I997-L999 HydrophobicContact CG2-CG 4.23Å; L999-F1001 HydrophobicContact CB-CE2 4.25Å; L999-L1012 HydrophobicContact CD1-CD2 3.29Å; L999-S1022 PolarHBondContact N-O 3.28Å; L999-V1023 HydrophobicContact CD1-CG2 4.5Å; L999-V1023 WeakPolarHBondContact O-CA 3.38Å; L999-L1024 PolarHBondContact O-N 2.82Å
1000	I	87	Confident	71.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.2	177.2	-59.6	177.7	0	0	0	109	V965 F966 I967 L968 L1002 L1024 F1036 L1040	V965-I1000 HydrophobicContact CG1-CD1 3.47Å; V965-I1000 VanDerWaalsContact CG1-CD1 3.47Å; V965-I1000 HydrophobicContact CG1-CG1 3.96Å; F966-I1000 PolarHBondContact O-N 3.44Å; I967-I1000 HydrophobicContact CG1-CB 4.4Å; L968-I1000 PolarHBondContact N-O 3.2Å; I1000-L1002 HydrophobicContact CG2-CD2 4.39Å; I1000-L1024 CarbonylContact C-O 3.49Å; I1000-L1024 WeakPolarHBondContact CA-O 3.46Å; I1000-L1024 HydrophobicContact CG1-CB 4.47Å; I1000-F1036 HydrophobicContact CD1-CZ 4.35Å; I1000-F1036 HydrophobicContact CG2-CE2 4.17Å; I1000-F1036 HydrophobicContact CG2-CZ 3.8Å; I1000-L1040 HydrophobicContact CD1-CD1 3.84Å; I1000-L1040 HydrophobicContact CD1-CD2 3.91Å
1001	F	84.1	Confident	71.4	Confident	17 Å²	17	63.2 Å²	63.2	8%	0.075	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115	175.3	-67.3	-85.6	0	0	0	110.2	L968 I973 L999 V1005 L1012 V1023 L1024 E1025 W1026	L968-F1001 HydrophobicContact CB-CD1 3.84Å; L968-F1001 HydrophobicContact CB-CE1 3.82Å; L968-F1001 HydrophobicContact CD1-CD1 4.33Å; L968-F1001 HydrophobicContact CD1-CE1 3.57Å; L968-F1001 HydrophobicContact CD1-CE2 4.25Å; L968-F1001 HydrophobicContact CD1-CZ 3.53Å; L968-F1001 HydrophobicContact CG-CE1 4.35Å; I973-F1001 HydrophobicContact CD1-CE1 4.45Å; L999-F1001 HydrophobicContact CB-CE2 4.25Å; F1001-V1005 HydrophobicContact CD1-CB 4.24Å; F1001-V1005 HydrophobicContact CD1-CG2 3.88Å; F1001-V1005 HydrophobicContact CE1-CB 4.5Å; F1001-V1005 HydrophobicContact CE1-CG2 4.45Å; F1001-L1012 HydrophobicContact CZ-CD1 3.96Å; F1001-L1012 HydrophobicContact CZ-CD2 4.1Å; F1001-V1023 HydrophobicContact CD2-CG1 4.06Å; F1001-V1023 HydrophobicContact CE2-CG1 3.76Å; F1001-L1024 PolarHBondContact N-O 3.47Å; F1001-E1025 HydrophobicContact CB-CG 4.35Å; F1001-W1026 WeakPolarHBondContact O-CB 3.47Å; F1001-W1026 PolarHBondContact O-N 3.14Å
1002	L	80.9	Confident	71.5	Confident	34 Å²	34	59.2 Å²	59.2	18%	0.178	30%	0.298	C	S	.	.	S	Bend	trans	-80	-22.7	176.7	-65.2	-180	0	0	0	112.8	V915 W918 I967 I1000 W1026	V915-L1002 HydrophobicContact CG1-CD1 4.1Å; V915-L1002 HydrophobicContact CG2-CD1 4.21Å; W918-L1002 HydrophobicContact CD2-CD1 4.22Å; W918-L1002 HydrophobicContact CD2-CD2 3.84Å; W918-L1002 HydrophobicContact CE3-CD1 4.13Å; W918-L1002 HydrophobicContact CE3-CD2 3.97Å; W918-L1002 HydrophobicContact CH2-CD2 3.85Å; W918-L1002 HydrophobicContact CZ2-CD2 3.7Å; W918-L1002 HydrophobicContact CZ3-CD2 3.98Å; I967-L1002 HydrophobicContact CG2-CD1 3.57Å; I967-L1002 HydrophobicContact CG2-CG 3.84Å; I1000-L1002 HydrophobicContact CG2-CD2 4.39Å; L1002-W1026 HydrophobicContact CD2-CB 4.06Å; L1002-W1026 HydrophobicContact CD2-CG 4.19Å
1003	E	78.6	Confident	71.6	Confident	94 Å²	94	61.3 Å²	61.3	44%	0.439	30%	0.302	S	S	.	.	S	Bend	trans	-120.9	155.5	177.6	-61.7	176.3	-179.5	0	0	110.5	V1005	E1003-V1005 HydrophobicContact CB-CG2 4.48Å; E1003-V1005 WeakPolarHBondContact O-CG2 2.83Å; E1003-V1005 PolarHBondContact O-N 3.47Å
1004	K	66.9	Low	71.8	Confident	169 Å²	169	59.8 Å²	59.8	74%	0.735	30%	0.299	S	S	*	.			trans	-68.5	96.4	166.7	-79.5	-176.7	179.4	174.6	0	109.6
1005	V	61.7	Low	72.3	Confident	35 Å²	35	58.8 Å²	58.8	21%	0.212	29%	0.293	C	S	.	.			trans	-90.3	123.8	175.2	-168	0	0	0	0	109.9	K970 I973 F1001 E1003 C1007	K970-V1005 HydrophobicContact CG-CB 4.49Å; K970-V1005 HydrophobicContact CG-CG1 3.92Å; K970-V1005 HydrophobicContact CG-CG2 4.06Å; I973-V1005 HydrophobicContact CD1-CG1 4.42Å; F1001-V1005 HydrophobicContact CD1-CB 4.24Å; F1001-V1005 HydrophobicContact CD1-CG2 3.88Å; F1001-V1005 HydrophobicContact CE1-CB 4.5Å; F1001-V1005 HydrophobicContact CE1-CG2 4.45Å; E1003-V1005 HydrophobicContact CB-CG2 4.48Å; E1003-V1005 WeakPolarHBondContact O-CG2 2.83Å; E1003-V1005 PolarHBondContact O-N 3.47Å; V1005-C1007 VanDerWaalsContact C-N 3.26Å; V1005-C1007 WeakPolarHBondContact CG1-SG 3.47Å; V1005-C1007 PolarHBondContact O-N 3.28Å
1006	S	57.1	Low	72.2	Confident	107 Å²	107	63.3 Å²	63.3	75%	0.748	31%	0.312	S	S	*	.			trans	-73.3	77.9	170.5	54.2	0	0	0	0	110.2	N1008	S1006-N1008 PolarHBondContact O-N 3.12Å
1007	C	54.4	Low	72	Confident	39 Å²	39	73.6 Å²	73.6	26%	0.264	35%	0.351	S	S	.	.			trans	-87	104.1	-174.9	-84.8	0	0	0	0	112.8	V1005 S1009 L1012	V1005-C1007 VanDerWaalsContact C-N 3.26Å; V1005-C1007 WeakPolarHBondContact CG1-SG 3.47Å; V1005-C1007 PolarHBondContact O-N 3.28Å; C1007-S1009 VanDerWaalsContact C-N 3.26Å; C1007-S1009 PolarHBondContact O-N 3.31Å; C1007-L1012 HydrophobicContact CB-CD1 3.76Å; C1007-L1012 VanDerWaalsContact SG-CD1 3.59Å
1008	N	58.4	Low	71.2	Confident	133 Å²	133	76.4 Å²	76.4	71%	0.711	37%	0.366	S	S	*	.			trans	-82.5	8.9	169.7	-80.5	-13.5	0	0	0	114.2	S1006 K1010 R1013	S1006-N1008 PolarHBondContact O-N 3.12Å; N1008-K1010 PolarHBondContact O-N 2.78Å; N1008-R1013 PolarHBondContact OD1-NH2 2.98Å
1009	S	65.5	Low	70.7	Confident	55 Å²	55	76.8 Å²	76.8	39%	0.385	37%	0.367	S	S	.	.			trans	-65.7	122.3	179.4	174.4	0	0	0	0	111.9	C1007 Y1011 L1012 R1013	C1007-S1009 VanDerWaalsContact C-N 3.26Å; C1007-S1009 PolarHBondContact O-N 3.31Å; S1009-Y1011 PolarHBondContact O-N 2.98Å; S1009-Y1011 PolarHBondContact OG-N 3.14Å; S1009-L1012 PolarHBondContact O-N 3.47Å; S1009-R1013 WeakPolarHBondContact O-CG 3.35Å; S1009-R1013 PolarHBondContact O-N 3.01Å; S1009-R1013 VanDerWaalsContact O-N 3.12Å
1010	K	65.8	Low	69.9	Low	190 Å²	190	84.5 Å²	84.5	83%	0.826	40%	0.401	S	S	*	.	H	α-helix	trans	-56.2	-36.4	175	-69.5	-178	-180	178.6	0	111.6	N1008 L1014	N1008-K1010 PolarHBondContact O-N 2.78Å; K1010-L1014 WeakPolarHBondContact O-CB 3.44Å; K1010-L1014 PolarHBondContact O-N 2.75Å
1011	Y	69.2	Low	69.2	Low	71 Å²	71	92.4 Å²	92.4	28%	0.278	43%	0.43	S	S	.	.	H	α-helix	trans	-66.4	-46.9	179.1	179.7	-86.5	0	0	0	112.3	F982 S1009 R1013 L1014 R1015	F982-Y1011 HydrophobicContact CE1-CE1 4.39Å; F982-Y1011 HydrophobicContact CE2-CE1 4.21Å; F982-Y1011 HydrophobicContact CZ-CD1 4.09Å; F982-Y1011 AromaticContact CZ-CE1 3.45Å; F982-Y1011 HydrophobicContact CZ-CE1 3.45Å; F982-Y1011 VanDerWaalsContact CZ-CE1 3.45Å; F982-Y1011 HydrophobicContact CZ-CE2 4.36Å; F982-Y1011 AromaticContact CZ-CZ 3.59Å; S1009-Y1011 PolarHBondContact O-N 2.98Å; S1009-Y1011 PolarHBondContact OG-N 3.14Å; Y1011-R1013 VanDerWaalsContact C-N 3.35Å; Y1011-R1013 PolarHBondContact O-N 2.65Å; Y1011-L1014 WeakPolarHBondContact O-CB 3.04Å; Y1011-L1014 PolarHBondContact O-N 2.81Å; Y1011-R1015 HydrophobicContact CE1-CB 4.32Å; Y1011-R1015 WeakPolarHBondContact O-CB 3.43Å; Y1011-R1015 PolarHBondContact O-N 3.27Å; Y1011-R1015 PolarHBondContact OH-NH1 3.15Å
1012	L	69.8	Low	68.7	Low	29 Å²	29	91.6 Å²	91.6	15%	0.152	43%	0.427	C	S	.	.	H	α-helix	trans	-65.5	-38.9	178.6	-71.1	174.1	0	0	0	111.8	L999 F1001 C1007 S1009 L1014 R1015 K1016	L999-L1012 HydrophobicContact CD1-CD2 3.29Å; F1001-L1012 HydrophobicContact CZ-CD1 3.96Å; F1001-L1012 HydrophobicContact CZ-CD2 4.1Å; C1007-L1012 HydrophobicContact CB-CD1 3.76Å; C1007-L1012 VanDerWaalsContact SG-CD1 3.59Å; S1009-L1012 PolarHBondContact O-N 3.47Å; L1012-L1014 VanDerWaalsContact C-N 3.31Å; L1012-L1014 PolarHBondContact O-N 3.03Å; L1012-R1015 PolarHBondContact O-N 3.41Å; L1012-K1016 VanDerWaalsContact O-CB 3.27Å; L1012-K1016 WeakPolarHBondContact O-CB 3.36Å; L1012-K1016 PolarHBondContact O-N 3.23Å
1013	R	70.9	Confident	68.8	Low	140 Å²	140	90.9 Å²	90.9	53%	0.528	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-39.2	174	-69.9	179.3	179.9	-167.5	0.2	111.6	N1008 S1009 Y1011 R1017	N1008-R1013 PolarHBondContact OD1-NH2 2.98Å; S1009-R1013 WeakPolarHBondContact O-CG 3.35Å; S1009-R1013 PolarHBondContact O-N 3.01Å; S1009-R1013 VanDerWaalsContact O-N 3.12Å; Y1011-R1013 VanDerWaalsContact C-N 3.35Å; Y1011-R1013 PolarHBondContact O-N 2.65Å; R1013-R1017 WeakPolarHBondContact O-CG 3.4Å; R1013-R1017 PolarHBondContact O-N 2.68Å
1014	L	70.4	Confident	69	Low	97 Å²	97	87.3 Å²	87.3	51%	0.508	41%	0.407	S	S	.	.	H	α-helix	trans	-67.4	-47.7	175	-173.9	67.3	0	0	0	111.2	K1010 Y1011 L1012 K1016 R1017 L1018	K1010-L1014 WeakPolarHBondContact O-CB 3.44Å; K1010-L1014 PolarHBondContact O-N 2.75Å; Y1011-L1014 WeakPolarHBondContact O-CB 3.04Å; Y1011-L1014 PolarHBondContact O-N 2.81Å; L1012-L1014 VanDerWaalsContact C-N 3.31Å; L1012-L1014 PolarHBondContact O-N 3.03Å; L1014-K1016 PolarHBondContact O-N 3.15Å; L1014-R1017 WeakPolarHBondContact O-CB 3.49Å; L1014-R1017 PolarHBondContact O-N 3.17Å; L1014-R1017 VanDerWaalsContact O-N 3.11Å; L1014-L1018 HydrophobicContact CD1-CD1 3.89Å; L1014-L1018 HydrophobicContact CD1-CG 4.18Å; L1014-L1018 HydrophobicContact CD2-CD1 4.24Å; L1014-L1018 HydrophobicContact CG-CD1 3.69Å; L1014-L1018 HydrophobicContact CG-CG 4.27Å; L1014-L1018 WeakPolarHBondContact O-CB 3.12Å; L1014-L1018 WeakPolarHBondContact O-CG 3.42Å; L1014-L1018 PolarHBondContact O-N 3.48Å
1015	R	74.9	Confident	69.8	Low	14 Å²	14	84 Å²	84	5%	0.053	40%	0.395	C	S	.	.	H	α-helix	trans	-65.6	-37.7	179.3	-165.4	172.6	-176.2	84.8	6.7	112.7	D995 I997 Y1011 L1012 R1017 L1018 Y1019 S1022 V1023	D995-R1015 IonicContact OD1-CZ 3.59Å; D995-R1015 IonicContact OD1-NH1 3.43Å; D995-R1015 PolarHBondContact OD1-NH1 2.88Å; D995-R1015 IonicContact OD1-NH2 2.92Å; D995-R1015 PolarHBondContact OD1-NH2 2.59Å; D995-R1015 IonicContact OD2-CZ 3.34Å; D995-R1015 IonicContact OD2-NH1 2.85Å; D995-R1015 PolarHBondContact OD2-NH1 2.82Å; D995-R1015 IonicContact OD2-NH2 3.06Å; D995-R1015 PolarHBondContact OD2-NH2 3.25Å; I997-R1015 PolarHBondContact O-NH2 3.38Å; Y1011-R1015 HydrophobicContact CE1-CB 4.32Å; Y1011-R1015 WeakPolarHBondContact O-CB 3.43Å; Y1011-R1015 PolarHBondContact O-N 3.27Å; Y1011-R1015 PolarHBondContact OH-NH1 3.15Å; L1012-R1015 PolarHBondContact O-N 3.41Å; R1015-R1017 PolarHBondContact O-N 3.43Å; R1015-L1018 PolarHBondContact O-N 2.95Å; R1015-Y1019 CarbonylContact O-C 3.32Å; R1015-Y1019 VanDerWaalsContact O-C 3.32Å; R1015-Y1019 WeakPolarHBondContact O-CA 3.49Å; R1015-Y1019 PolarHBondContact O-N 3.13Å; R1015-S1022 PolarHBondContact NE-OG 3.09Å; R1015-V1023 HydrophobicContact CG-CG2 4.45Å
1016	K	71.3	Confident	70.8	Confident	102 Å²	102	84.8 Å²	84.8	44%	0.443	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-26.6	173.9	-165.5	165.9	-176	166.1	0	112.3	L1012 L1014 E1025	L1012-K1016 VanDerWaalsContact O-CB 3.27Å; L1012-K1016 WeakPolarHBondContact O-CB 3.36Å; L1012-K1016 PolarHBondContact O-N 3.23Å; L1014-K1016 PolarHBondContact O-N 3.15Å; K1016-E1025 IonicContact NZ-OE1 2.71Å; K1016-E1025 PolarHBondContact NZ-OE1 3.45Å
1017	R	72.4	Confident	72	Confident	216 Å²	216	81 Å²	81	82%	0.815	37%	0.366	S	S	*	.	H	α-helix	trans	-82.5	-44.3	173.3	-75.7	178.9	175.1	-173.2	-2.2	112.8	R1013 L1014 R1015	R1013-R1017 WeakPolarHBondContact O-CG 3.4Å; R1013-R1017 PolarHBondContact O-N 2.68Å; L1014-R1017 WeakPolarHBondContact O-CB 3.49Å; L1014-R1017 PolarHBondContact O-N 3.17Å; L1014-R1017 VanDerWaalsContact O-N 3.11Å; R1015-R1017 PolarHBondContact O-N 3.43Å
1018	L	67.6	Low	73.1	Confident	61 Å²	61	85.1 Å²	85.1	32%	0.319	39%	0.391	S	S	.	.	H	α-helix	trans	-79.6	-35.1	-175.9	-67.7	178.4	0	0	0	113.2	L1014 R1015 F1056	L1014-L1018 HydrophobicContact CD1-CD1 3.89Å; L1014-L1018 HydrophobicContact CD1-CG 4.18Å; L1014-L1018 HydrophobicContact CD2-CD1 4.24Å; L1014-L1018 HydrophobicContact CG-CD1 3.69Å; L1014-L1018 HydrophobicContact CG-CG 4.27Å; L1014-L1018 WeakPolarHBondContact O-CB 3.12Å; L1014-L1018 WeakPolarHBondContact O-CG 3.42Å; L1014-L1018 PolarHBondContact O-N 3.48Å; R1015-L1018 PolarHBondContact O-N 2.95Å; L1018-F1056 HydrophobicContact CD1-CE2 4.14Å; L1018-F1056 HydrophobicContact CD2-CD2 3.77Å; L1018-F1056 HydrophobicContact CD2-CE2 3.85Å
1019	Y	72.8	Confident	74	Confident	9 Å²	9	83 Å²	83	4%	0.035	38%	0.38	C	S	.	.			trans	-143.9	60.1	-169.9	-154.2	-124.9	0	0	0	111.6	R1015 R1021 S1022 Q1051	R1015-Y1019 CarbonylContact O-C 3.32Å; R1015-Y1019 VanDerWaalsContact O-C 3.32Å; R1015-Y1019 WeakPolarHBondContact O-CA 3.49Å; R1015-Y1019 PolarHBondContact O-N 3.13Å; Y1019-R1021 PolarHBondContact O-N 3.26Å; Y1019-S1022 WeakPolarHBondContact CD1-OG 3.48Å; Y1019-S1022 VanDerWaalsContact CE1-CB 3.48Å; Y1019-S1022 PolarHBondContact O-N 3.11Å; Y1019-S1022 PolarHBondContact O-OG 3.49Å; Y1019-Q1051 HydrophobicContact CD2-CB 4.16Å; Y1019-Q1051 HydrophobicContact CE2-CB 3.12Å; Y1019-Q1051 HydrophobicContact CE2-CG 4.27Å; Y1019-Q1051 VanDerWaalsContact CZ-CB 3.47Å; Y1019-Q1051 VanDerWaalsContact OH-CB 3.24Å; Y1019-Q1051 WeakPolarHBondContact OH-CB 3.34Å; Y1019-Q1051 PolarHBondContact OH-OE1 3.27Å
1020	K	69.3	Low	74.6	Confident	163 Å²	163	84.6 Å²	84.6	71%	0.709	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-51.9	-29.9	-174	-169.9	178.3	178.7	-176.5	0	113.9
1021	R	70.8	Confident	75.1	Confident	166 Å²	166	83.5 Å²	83.5	63%	0.626	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-77.5	-20.4	-178.6	-66.6	-173.4	178.2	-173.1	0.2	114.3	Y1019 V1023 V1043	Y1019-R1021 PolarHBondContact O-N 3.26Å; R1021-V1023 VanDerWaalsContact C-N 3.32Å; R1021-V1043 HydrophobicContact CB-CG2 4.16Å; R1021-V1043 WeakPolarHBondContact O-CG2 3.12Å
1022	S	74.9	Confident	75.7	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-81	-7.9	176.4	61.9	0	0	0	0	115.6	L999 R1015 Y1019	L999-S1022 PolarHBondContact N-O 3.28Å; R1015-S1022 PolarHBondContact NE-OG 3.09Å; Y1019-S1022 WeakPolarHBondContact CD1-OG 3.48Å; Y1019-S1022 VanDerWaalsContact CE1-CB 3.48Å; Y1019-S1022 PolarHBondContact O-N 3.11Å; Y1019-S1022 PolarHBondContact O-OG 3.49Å
1023	V	82.2	Confident	76.3	Confident	18 Å²	18	82.9 Å²	82.9	11%	0.109	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	105.7	-178.7	-179.8	0	0	0	0	107.3	L999 F1001 R1015 R1021	L999-V1023 HydrophobicContact CD1-CG2 4.5Å; L999-V1023 WeakPolarHBondContact O-CA 3.38Å; F1001-V1023 HydrophobicContact CD2-CG1 4.06Å; F1001-V1023 HydrophobicContact CE2-CG1 3.76Å; R1015-V1023 HydrophobicContact CG-CG2 4.45Å; R1021-V1023 VanDerWaalsContact C-N 3.32Å
1024	L	83.3	Confident	76.8	Confident	19 Å²	19	80.5 Å²	80.5	10%	0.099	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.4	-177.7	-61.4	172.5	0	0	0	109.7	L999 I1000 F1001 F1036 L1040	L999-L1024 PolarHBondContact O-N 2.82Å; I1000-L1024 CarbonylContact C-O 3.49Å; I1000-L1024 WeakPolarHBondContact CA-O 3.46Å; I1000-L1024 HydrophobicContact CG1-CB 4.47Å; F1001-L1024 PolarHBondContact N-O 3.47Å; L1024-F1036 HydrophobicContact CB-CD2 4.33Å; L1024-F1036 HydrophobicContact CB-CE2 3.75Å; L1024-L1040 HydrophobicContact CD1-CB 3.81Å; L1024-L1040 HydrophobicContact CD1-CD1 3.71Å; L1024-L1040 HydrophobicContact CD1-CG 4.34Å
1025	E	82.5	Confident	77.3	Confident	100 Å²	100	84 Å²	84	47%	0.467	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.4	178.2	-68.1	174.3	-160.9	0	0	107.8	F1001 K1016 F1036	F1001-E1025 HydrophobicContact CB-CG 4.35Å; K1016-E1025 IonicContact NZ-OE1 2.71Å; K1016-E1025 PolarHBondContact NZ-OE1 3.45Å; E1025-F1036 WeakPolarHBondContact O-CD2 3.37Å
1026	W	83.8	Confident	77.9	Confident	52 Å²	52	83.7 Å²	83.7	20%	0.197	40%	0.4	C	S	.	.			trans	-68	124.5	177.8	-176.1	-113.2	0	0	0	110	W918 F1001 L1002 Q1033 F1036 W1037	W918-W1026 HydrophobicContact CZ2-CD2 4.13Å; W918-W1026 AromaticContact CZ2-CE3 3.63Å; W918-W1026 HydrophobicContact CZ2-CE3 3.63Å; W918-W1026 HydrophobicContact CZ2-CH2 4.06Å; W918-W1026 AromaticContact CZ2-CZ3 3.6Å; W918-W1026 HydrophobicContact CZ2-CZ3 3.6Å; W918-W1026 AromaticContact NE1-CE2 3.81Å; W918-W1026 AromaticContact NE1-CH2 3.81Å; W918-W1026 AromaticContact NE1-CZ2 3.59Å; F1001-W1026 WeakPolarHBondContact O-CB 3.47Å; F1001-W1026 PolarHBondContact O-N 3.14Å; L1002-W1026 HydrophobicContact CD2-CB 4.06Å; L1002-W1026 HydrophobicContact CD2-CG 4.19Å; W1026-Q1033 HydrophobicContact CH2-CB 4.42Å; W1026-Q1033 HydrophobicContact CH2-CG 4.01Å; W1026-Q1033 HydrophobicContact CZ2-CG 3.97Å; W1026-F1036 AromaticContact CE3-CD1 3.55Å; W1026-F1036 HydrophobicContact CE3-CD1 3.55Å; W1026-F1036 HydrophobicContact CE3-CD2 4.16Å; W1026-F1036 AromaticContact CE3-CE1 3.54Å; W1026-F1036 HydrophobicContact CE3-CE1 3.54Å; W1026-F1036 HydrophobicContact CE3-CE2 4.13Å; W1026-F1036 AromaticContact CE3-CG 3.88Å; W1026-F1036 HydrophobicContact CE3-CG 3.88Å; W1026-F1036 AromaticContact CE3-CZ 3.84Å; W1026-F1036 HydrophobicContact CE3-CZ 3.84Å; W1026-F1036 AromaticContact CZ3-CD1 3.41Å; W1026-F1036 HydrophobicContact CZ3-CD1 3.41Å; W1026-F1036 VanDerWaalsContact CZ3-CD1 3.41Å; W1026-F1036 AromaticContact CZ3-CE1 3.58Å; W1026-F1036 HydrophobicContact CZ3-CE1 3.58Å; W1026-F1036 HydrophobicContact CZ3-CG 4.07Å; W1026-F1036 HydrophobicContact CZ3-CZ 4.34Å; W1026-W1037 AromaticContact CH2-CE2 3.88Å; W1026-W1037 AromaticContact CH2-CZ2 3.58Å; W1026-W1037 HydrophobicContact CH2-CZ2 3.58Å; W1026-W1037 AromaticContact CH2-NE1 3.83Å; W1026-W1037 AromaticContact CZ3-CE2 3.7Å; W1026-W1037 HydrophobicContact CZ3-CH2 4.19Å; W1026-W1037 AromaticContact CZ3-CZ2 3.45Å; W1026-W1037 HydrophobicContact CZ3-CZ2 3.45Å; W1026-W1037 VanDerWaalsContact CZ3-CZ2 3.45Å; W1026-W1037 AromaticContact CZ3-NE1 3.93Å
1027	P	82.4	Confident	78.6	Confident	26 Å²	26	79.4 Å²	79.4	17%	0.169	38%	0.382	C	S	.	.			trans	-75.2	136.3	-173.9	27.8	-32	0	0	0	111.7	N1029 A1032 Q1033 F1036	P1027-N1029 PolarHBondContact O-N 2.88Å; P1027-A1032 HydrophobicContact CB-CB 3.77Å; P1027-A1032 HydrophobicContact CG-CB 4.14Å; P1027-Q1033 HydrophobicContact CG-CB 4.49Å; P1027-Q1033 HydrophobicContact CG-CG 3.9Å; P1027-F1036 HydrophobicContact CG-CB 4.21Å
1028	T	76.1	Confident	79.1	Confident	127 Å²	127	76 Å²	76	78%	0.779	37%	0.373	S	S	*	.	S	Bend	trans	-73.6	-13.5	173.4	54.7	0	0	0	0	113.1
1029	N	78.6	Confident	79.7	Confident	89 Å²	89	74.1 Å²	74.1	48%	0.476	37%	0.365	S	S	.	.	S	Bend	trans	-98.5	118.7	177.1	-176.6	-9.1	0	0	0	109.9	P1027 Q1031 A1032	P1027-N1029 PolarHBondContact O-N 2.88Å; N1029-Q1031 PolarHBondContact O-N 2.8Å; N1029-Q1031 PolarHBondContact OD1-N 2.85Å; N1029-Q1031 VanDerWaalsContact OD1-N 3.1Å; N1029-A1032 HydrophobicContact CB-CB 4.47Å; N1029-A1032 PolarHBondContact O-N 3.43Å
1030	P	78.3	Confident	80.3	Confident	87 Å²	87	73.7 Å²	73.7	57%	0.565	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-54.7	-33.8	178.9	-25.9	33.8	0	0	0	114	A1032 Q1033	P1030-A1032 PolarHBondContact O-N 2.7Å; P1030-Q1033 WeakPolarHBondContact O-CB 3.09Å; P1030-Q1033 PolarHBondContact O-N 2.95Å
1031	Q	76.6	Confident	80.8	Confident	167 Å²	167	68.2 Å²	68.2	78%	0.78	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-66.1	-18.2	179.1	-64.9	-67.5	-35.8	0	0	113.3	N1029	N1029-Q1031 PolarHBondContact O-N 2.8Å; N1029-Q1031 PolarHBondContact OD1-N 2.85Å; N1029-Q1031 VanDerWaalsContact OD1-N 3.1Å
1032	A	80.6	Confident	81.1	Confident	35 Å²	35	62.5 Å²	62.5	29%	0.289	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-96.1	-6.4	179.5	0	0	0	0	0	113.7	P1027 N1029 P1030 Y1035 F1036	P1027-A1032 HydrophobicContact CB-CB 3.77Å; P1027-A1032 HydrophobicContact CG-CB 4.14Å; N1029-A1032 HydrophobicContact CB-CB 4.47Å; N1029-A1032 PolarHBondContact O-N 3.43Å; P1030-A1032 PolarHBondContact O-N 2.7Å; A1032-Y1035 WeakPolarHBondContact O-CB 3.4Å; A1032-Y1035 PolarHBondContact O-N 3.27Å; A1032-F1036 PolarHBondContact O-N 3.1Å
1033	Q	83.1	Confident	81.3	Confident	53 Å²	53	62.7 Å²	62.7	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-38.4	178.3	-68	174.4	-11.6	0	0	113.8	W1026 P1027 P1030 Y1035 F1036 W1037	W1026-Q1033 HydrophobicContact CH2-CB 4.42Å; W1026-Q1033 HydrophobicContact CH2-CG 4.01Å; W1026-Q1033 HydrophobicContact CZ2-CG 3.97Å; P1027-Q1033 HydrophobicContact CG-CB 4.49Å; P1027-Q1033 HydrophobicContact CG-CG 3.9Å; P1030-Q1033 WeakPolarHBondContact O-CB 3.09Å; P1030-Q1033 PolarHBondContact O-N 2.95Å; Q1033-Y1035 PolarHBondContact O-N 3.18Å; Q1033-F1036 WeakPolarHBondContact O-CB 3.49Å; Q1033-F1036 PolarHBondContact O-N 3.18Å; Q1033-F1036 VanDerWaalsContact O-N 3.11Å; Q1033-W1037 PolarHBondContact O-N 3.22Å; Q1033-W1037 VanDerWaalsContact O-N 3.09Å
1034	P	80.1	Confident	81.1	Confident	89 Å²	89	62.1 Å²	62.1	58%	0.578	32%	0.321	S	S	*	.	H	α-helix	trans	-58.3	-36	174.3	-25.8	35.4	0	0	0	113.2	W1037 F1038	P1034-W1037 PolarHBondContact O-N 3.32Å; P1034-F1038 WeakPolarHBondContact O-CB 3.27Å; P1034-F1038 PolarHBondContact O-N 3.11Å
1035	Y	82.1	Confident	80.5	Confident	170 Å²	170	63.8 Å²	63.8	67%	0.667	34%	0.337	S	S	*	.	H	α-helix	trans	-69.8	-36	176.9	-178.7	-98.5	0	0	0	112.6	A1032 Q1033 S1039	A1032-Y1035 WeakPolarHBondContact O-CB 3.4Å; A1032-Y1035 PolarHBondContact O-N 3.27Å; Q1033-Y1035 PolarHBondContact O-N 3.18Å; Y1035-S1039 WeakPolarHBondContact O-CB 3.45Å; Y1035-S1039 PolarHBondContact O-N 3.03Å; Y1035-S1039 PolarHBondContact O-OG 2.81Å
1036	F	87.6	Confident	79.8	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-49	172.7	171.9	-86.9	0	0	0	111	W918 I1000 L1024 E1025 W1026 P1027 A1032 Q1033 F1038 S1039 L1040	W918-F1036 HydrophobicContact CH2-CE1 4.37Å; W918-F1036 HydrophobicContact CH2-CZ 4.45Å; W918-F1036 HydrophobicContact CZ2-CE1 4.38Å; I1000-F1036 HydrophobicContact CD1-CZ 4.35Å; I1000-F1036 HydrophobicContact CG2-CE2 4.17Å; I1000-F1036 HydrophobicContact CG2-CZ 3.8Å; L1024-F1036 HydrophobicContact CB-CD2 4.33Å; L1024-F1036 HydrophobicContact CB-CE2 3.75Å; E1025-F1036 WeakPolarHBondContact O-CD2 3.37Å; W1026-F1036 AromaticContact CE3-CD1 3.55Å; W1026-F1036 HydrophobicContact CE3-CD1 3.55Å; W1026-F1036 HydrophobicContact CE3-CD2 4.16Å; W1026-F1036 AromaticContact CE3-CE1 3.54Å; W1026-F1036 HydrophobicContact CE3-CE1 3.54Å; W1026-F1036 HydrophobicContact CE3-CE2 4.13Å; W1026-F1036 AromaticContact CE3-CG 3.88Å; W1026-F1036 HydrophobicContact CE3-CG 3.88Å; W1026-F1036 AromaticContact CE3-CZ 3.84Å; W1026-F1036 HydrophobicContact CE3-CZ 3.84Å; W1026-F1036 AromaticContact CZ3-CD1 3.41Å; W1026-F1036 HydrophobicContact CZ3-CD1 3.41Å; W1026-F1036 VanDerWaalsContact CZ3-CD1 3.41Å; W1026-F1036 AromaticContact CZ3-CE1 3.58Å; W1026-F1036 HydrophobicContact CZ3-CE1 3.58Å; W1026-F1036 HydrophobicContact CZ3-CG 4.07Å; W1026-F1036 HydrophobicContact CZ3-CZ 4.34Å; P1027-F1036 HydrophobicContact CG-CB 4.21Å; A1032-F1036 PolarHBondContact O-N 3.1Å; Q1033-F1036 WeakPolarHBondContact O-CB 3.49Å; Q1033-F1036 PolarHBondContact O-N 3.18Å; Q1033-F1036 VanDerWaalsContact O-N 3.11Å; F1036-F1038 PolarHBondContact O-N 3.45Å; F1036-S1039 WeakPolarHBondContact O-CB 3.35Å; F1036-S1039 PolarHBondContact O-N 3.02Å; F1036-S1039 VanDerWaalsContact O-N 3.14Å; F1036-L1040 HydrophobicContact CE1-CD2 4.11Å; F1036-L1040 HydrophobicContact CZ-CD2 4.42Å; F1036-L1040 PolarHBondContact O-N 2.71Å
1037	W	86.3	Confident	78.9	Confident	13 Å²	13	65.3 Å²	65.3	5%	0.049	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-39.1	180	-67.6	122.9	0	0	0	112.6	W918 E922 M923 H926 L927 W1026 Q1033 P1034 L1040 R1041	W918-W1037 AromaticContact CH2-CH2 3.73Å; W918-W1037 HydrophobicContact CH2-CH2 3.73Å; W918-W1037 HydrophobicContact CH2-CZ2 4.49Å; W918-W1037 HydrophobicContact CH2-CZ3 4.44Å; W918-W1037 AromaticContact CZ2-CH2 3.58Å; W918-W1037 HydrophobicContact CZ2-CH2 3.58Å; W918-W1037 AromaticContact CZ2-CZ2 3.9Å; W918-W1037 HydrophobicContact CZ2-CZ2 3.9Å; E922-W1037 HydrophobicContact CG-CH2 4.36Å; E922-W1037 HydrophobicContact CG-CZ2 3.67Å; M923-W1037 HydrophobicContact CB-CH2 4.03Å; M923-W1037 HydrophobicContact CB-CZ3 4.34Å; M923-W1037 HydrophobicContact CG-CH2 4.33Å; M923-W1037 HydrophobicContact CG-CZ3 4.17Å; H926-W1037 HydrophobicContact CB-CD2 3.77Å; H926-W1037 HydrophobicContact CB-CE3 3.86Å; H926-W1037 HydrophobicContact CB-CG 4.29Å; H926-W1037 HydrophobicContact CB-CH2 4.34Å; H926-W1037 HydrophobicContact CB-CZ2 4.24Å; H926-W1037 HydrophobicContact CB-CZ3 4.14Å; H926-W1037 AromaticContact CD2-CE2 3.83Å; H926-W1037 AromaticContact CD2-NE1 3.68Å; H926-W1037 AromaticContact CG-CD2 3.96Å; H926-W1037 AromaticContact CG-CE2 3.78Å; H926-W1037 AromaticContact CG-NE1 3.77Å; H926-W1037 AromaticContact ND1-CD1 3.88Å; H926-W1037 AromaticContact NE2-NE1 3.87Å; L927-W1037 HydrophobicContact CD2-CE3 4.32Å; L927-W1037 HydrophobicContact CG-CZ3 4.36Å; W1026-W1037 AromaticContact CH2-CE2 3.88Å; W1026-W1037 AromaticContact CH2-CZ2 3.58Å; W1026-W1037 HydrophobicContact CH2-CZ2 3.58Å; W1026-W1037 AromaticContact CH2-NE1 3.83Å; W1026-W1037 AromaticContact CZ3-CE2 3.7Å; W1026-W1037 HydrophobicContact CZ3-CH2 4.19Å; W1026-W1037 AromaticContact CZ3-CZ2 3.45Å; W1026-W1037 HydrophobicContact CZ3-CZ2 3.45Å; W1026-W1037 VanDerWaalsContact CZ3-CZ2 3.45Å; W1026-W1037 AromaticContact CZ3-NE1 3.93Å; Q1033-W1037 PolarHBondContact O-N 3.22Å; Q1033-W1037 VanDerWaalsContact O-N 3.09Å; P1034-W1037 PolarHBondContact O-N 3.32Å; W1037-L1040 HydrophobicContact CE3-CD2 4Å; W1037-L1040 HydrophobicContact CZ3-CD2 3.78Å; W1037-L1040 PolarHBondContact O-N 3.29Å; W1037-R1041 WeakPolarHBondContact O-CB 3.36Å; W1037-R1041 WeakPolarHBondContact O-CG 3.46Å; W1037-R1041 PolarHBondContact O-N 3.35Å
1038	F	81.6	Confident	77.7	Confident	144 Å²	144	64.3 Å²	64.3	63%	0.632	34%	0.344	S	S	*	.	H	α-helix	trans	-60	-45.4	171.5	178.7	-96.9	0	0	0	112	P1034 F1036 R1041 S1042	P1034-F1038 WeakPolarHBondContact O-CB 3.27Å; P1034-F1038 PolarHBondContact O-N 3.11Å; F1036-F1038 PolarHBondContact O-N 3.45Å; F1038-R1041 PolarHBondContact O-N 2.99Å; F1038-S1042 WeakPolarHBondContact O-CB 3.22Å; F1038-S1042 PolarHBondContact O-N 3.24Å
1039	S	80.6	Confident	76.9	Confident	22 Å²	22	63.3 Å²	63.3	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-43.2	179.6	-60.5	0	0	0	0	112.1	Y1035 F1036 S1042 V1043	Y1035-S1039 WeakPolarHBondContact O-CB 3.45Å; Y1035-S1039 PolarHBondContact O-N 3.03Å; Y1035-S1039 PolarHBondContact O-OG 2.81Å; F1036-S1039 WeakPolarHBondContact O-CB 3.35Å; F1036-S1039 PolarHBondContact O-N 3.02Å; F1036-S1039 VanDerWaalsContact O-N 3.14Å; S1039-S1042 PolarHBondContact O-N 2.7Å; S1039-V1043 VanDerWaalsContact O-CG2 3.22Å; S1039-V1043 WeakPolarHBondContact O-CG2 3.46Å; S1039-V1043 PolarHBondContact O-N 3.47Å
1040	L	84.9	Confident	75.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-45.9	177.4	-178.5	57.9	0	0	0	111.7	M923 L927 V998 I1000 L1024 F1036 W1037 S1042 V1043 L1044	M923-L1040 HydrophobicContact CE-CD2 4.42Å; L927-L1040 HydrophobicContact CD1-CD2 3.92Å; L927-L1040 HydrophobicContact CD1-CG 4.47Å; L927-L1040 HydrophobicContact CD2-CD2 4.34Å; L927-L1040 HydrophobicContact CD2-CG 4.49Å; V998-L1040 HydrophobicContact CG1-CD1 4.43Å; I1000-L1040 HydrophobicContact CD1-CD1 3.84Å; I1000-L1040 HydrophobicContact CD1-CD2 3.91Å; L1024-L1040 HydrophobicContact CD1-CB 3.81Å; L1024-L1040 HydrophobicContact CD1-CD1 3.71Å; L1024-L1040 HydrophobicContact CD1-CG 4.34Å; F1036-L1040 HydrophobicContact CE1-CD2 4.11Å; F1036-L1040 HydrophobicContact CZ-CD2 4.42Å; F1036-L1040 PolarHBondContact O-N 2.71Å; W1037-L1040 HydrophobicContact CE3-CD2 4Å; W1037-L1040 HydrophobicContact CZ3-CD2 3.78Å; W1037-L1040 PolarHBondContact O-N 3.29Å; L1040-S1042 VanDerWaalsContact C-N 3.32Å; L1040-S1042 PolarHBondContact O-N 3.39Å; L1040-V1043 PolarHBondContact O-N 2.84Å; L1040-L1044 HydrophobicContact CD1-CD1 4.16Å; L1040-L1044 HydrophobicContact CD1-CG 4.2Å; L1040-L1044 HydrophobicContact CG-CD1 4.2Å; L1040-L1044 WeakPolarHBondContact O-CG 3.47Å; L1040-L1044 PolarHBondContact O-N 3.16Å
1041	R	80.3	Confident	74.7	Confident	47 Å²	47	64 Å²	64	18%	0.177	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-41	175.7	-76.4	176.6	165.6	-81.4	1.9	112.1	H926 L927 R930 R933 L935 W1037 F1038 L1044 A1045	H926-R1041 VanDerWaalsContact O-CZ 3.27Å; H926-R1041 PolarHBondContact O-NE 2.63Å; H926-R1041 VanDerWaalsContact O-NE 3.15Å; H926-R1041 PolarHBondContact O-NH2 3.17Å; L927-R1041 VanDerWaalsContact CA-NH2 3.29Å; L927-R1041 HydrophobicContact CD2-CG 3.61Å; L927-R1041 PolarHBondContact O-NH2 3.32Å; R930-R1041 PolarHBondContact O-NH2 3.23Å; R933-R1041 PolarHBondContact O-NH1 2.72Å; L935-R1041 HydrophobicContact CD1-CG 4.35Å; W1037-R1041 WeakPolarHBondContact O-CB 3.36Å; W1037-R1041 WeakPolarHBondContact O-CG 3.46Å; W1037-R1041 PolarHBondContact O-N 3.35Å; F1038-R1041 PolarHBondContact O-N 2.99Å; R1041-L1044 PolarHBondContact O-N 3.02Å; R1041-A1045 VanDerWaalsContact O-CB 3.27Å; R1041-A1045 WeakPolarHBondContact O-CB 3.24Å; R1041-A1045 PolarHBondContact O-N 3.06Å
1042	S	77.4	Confident	73.9	Confident	47 Å²	47	57.8 Å²	57.8	33%	0.329	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-46.1	176.1	-174.3	0	0	0	0	111.6	F1038 S1039 L1040 A1045 T1046	F1038-S1042 WeakPolarHBondContact O-CB 3.22Å; F1038-S1042 PolarHBondContact O-N 3.24Å; S1039-S1042 PolarHBondContact O-N 2.7Å; L1040-S1042 VanDerWaalsContact C-N 3.32Å; L1040-S1042 PolarHBondContact O-N 3.39Å; S1042-A1045 PolarHBondContact O-N 3.25Å; S1042-T1046 PolarHBondContact O-N 3.02Å; S1042-T1046 PolarHBondContact O-OG1 2.96Å
1043	V	79.4	Confident	72.7	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-39.7	-178.8	172.4	0	0	0	0	112.1	V998 R1021 S1039 L1040	V998-V1043 HydrophobicContact CG1-CG1 4.2Å; V998-V1043 HydrophobicContact CG2-CG1 3.75Å; R1021-V1043 HydrophobicContact CB-CG2 4.16Å; R1021-V1043 WeakPolarHBondContact O-CG2 3.12Å; S1039-V1043 VanDerWaalsContact O-CG2 3.22Å; S1039-V1043 WeakPolarHBondContact O-CG2 3.46Å; S1039-V1043 PolarHBondContact O-N 3.47Å; L1040-V1043 PolarHBondContact O-N 2.84Å
1044	L	78.4	Confident	71.3	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-70.9	-30.9	177.8	-65.9	179.9	0	0	0	112.6	A904 L927 L935 R963 V965 V998 L1040 R1041	A904-L1044 HydrophobicContact CB-CD1 4.35Å; A904-L1044 HydrophobicContact CB-CD2 3.9Å; L927-L1044 HydrophobicContact CD1-CD1 4.24Å; L935-L1044 HydrophobicContact CD1-CB 4.13Å; L935-L1044 HydrophobicContact CD1-CD1 3.94Å; R963-L1044 HydrophobicContact CB-CD2 3.74Å; R963-L1044 HydrophobicContact CG-CD2 3.85Å; V965-L1044 HydrophobicContact CG2-CD2 3.76Å; V998-L1044 HydrophobicContact CG2-CD2 4.42Å; L1040-L1044 HydrophobicContact CD1-CD1 4.16Å; L1040-L1044 HydrophobicContact CD1-CG 4.2Å; L1040-L1044 HydrophobicContact CG-CD1 4.2Å; L1040-L1044 WeakPolarHBondContact O-CG 3.47Å; L1040-L1044 PolarHBondContact O-N 3.16Å; R1041-L1044 PolarHBondContact O-N 3.02Å
1045	A	70.8	Confident	69.9	Low	54 Å²	54	65.8 Å²	65.8	45%	0.446	33%	0.328	S	S	.	.	H	α-helix	trans	-87.9	-16.1	-176.6	0	0	0	0	0	115.2	R1041 S1042	R1041-A1045 VanDerWaalsContact O-CB 3.27Å; R1041-A1045 WeakPolarHBondContact O-CB 3.24Å; R1041-A1045 PolarHBondContact O-N 3.06Å; S1042-A1045 PolarHBondContact O-N 3.25Å
1046	T	67.7	Low	68.3	Low	53 Å²	53	61.3 Å²	61.3	33%	0.325	31%	0.313	S	S	.	.	S	Bend	trans	-96.4	140.4	-178.7	23.1	0	0	0	0	112.3	R963 S1042 Q1051	R963-T1046 PolarHBondContact NH2-O 2.81Å; S1042-T1046 PolarHBondContact O-N 3.02Å; S1042-T1046 PolarHBondContact O-OG1 2.96Å; T1046-Q1051 PolarHBondContact OG1-NE2 3.04Å
1047	E	62.9	Low	66.5	Low	131 Å²	131	67.9 Å²	67.9	61%	0.612	34%	0.341	S	S	*	.			trans	-68.9	144.6	175.2	-68.9	173	167.3	0	0	112.3	H1049 K1050	E1047-H1049 VanDerWaalsContact C-N 3.31Å; E1047-H1049 PolarHBondContact O-N 2.78Å; E1047-K1050 PolarHBondContact O-N 3.41Å
1048	S	58.8	Low	64.6	Low	5 Å²	5	75.9 Å²	75.9	4%	0.035	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-58.2	-38.7	-169.1	-36.6	0	0	0	0	113	R963 N994 D995 K1050 Q1051 Y1052	R963-S1048 PolarHBondContact NH1-OG 2.8Å; R963-S1048 VanDerWaalsContact NH2-CA 3.3Å; R963-S1048 PolarHBondContact NH2-OG 2.91Å; N994-S1048 WeakPolarHBondContact OD1-CB 3.46Å; N994-S1048 PolarHBondContact OD1-OG 2.86Å; D995-S1048 PolarHBondContact O-OG 2.89Å; S1048-K1050 VanDerWaalsContact C-N 3.28Å; S1048-K1050 PolarHBondContact O-N 2.78Å; S1048-Q1051 PolarHBondContact O-N 2.99Å; S1048-Y1052 WeakPolarHBondContact O-CD2 3.48Å; S1048-Y1052 WeakPolarHBondContact O-CE2 3.39Å
1049	H	58.3	Low	63	Low	107 Å²	107	74.3 Å²	74.3	50%	0.495	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-69.3	-19.3	-175.5	-63	-66.1	0	0	0	114.5	K993 E1047	K993-H1049 PolarHBondContact O-CE1 3.08Å; E1047-H1049 VanDerWaalsContact C-N 3.31Å; E1047-H1049 PolarHBondContact O-N 2.78Å
1050	K	56.6	Low	60.9	Low	162 Å²	162	79.9 Å²	79.9	70%	0.704	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-88.9	-8	-178.1	-70.5	-179.2	-178	167.7	0	114.1	E1047 S1048	E1047-K1050 PolarHBondContact O-N 3.41Å; S1048-K1050 VanDerWaalsContact C-N 3.28Å; S1048-K1050 PolarHBondContact O-N 2.78Å
1051	Q	55.5	Low	59.7	Low	27 Å²	27	83.9 Å²	83.9	13%	0.126	43%	0.429	C	S	.	.	S	Bend	trans	-104.9	0.3	-173.7	-74	-168.9	28.2	0	0	114.2	Y1019 T1046 S1048	Y1019-Q1051 HydrophobicContact CD2-CB 4.16Å; Y1019-Q1051 HydrophobicContact CE2-CB 3.12Å; Y1019-Q1051 HydrophobicContact CE2-CG 4.27Å; Y1019-Q1051 VanDerWaalsContact CZ-CB 3.47Å; Y1019-Q1051 VanDerWaalsContact OH-CB 3.24Å; Y1019-Q1051 WeakPolarHBondContact OH-CB 3.34Å; Y1019-Q1051 PolarHBondContact OH-OE1 3.27Å; T1046-Q1051 PolarHBondContact OG1-NE2 3.04Å; S1048-Q1051 PolarHBondContact O-N 2.99Å
1052	Y	58	Low	58.6	Low	38 Å²	38	85.8 Å²	85.8	15%	0.149	44%	0.442	C	S	.	.	S	Bend	trans	-68.7	137.6	175.6	-71	-78.9	0	0	0	111.7	S1048 F1056	S1048-Y1052 WeakPolarHBondContact O-CD2 3.48Å; S1048-Y1052 WeakPolarHBondContact O-CE2 3.39Å; Y1052-F1056 HydrophobicContact CD1-CB 4.24Å; Y1052-F1056 HydrophobicContact CD1-CD1 4.21Å; Y1052-F1056 HydrophobicContact CD1-CG 4.4Å; Y1052-F1056 HydrophobicContact CE1-CD1 4.43Å
1053	S	55.3	Low	57.5	Low	51 Å²	51	87.9 Å²	87.9	36%	0.357	45%	0.448	S	S	.	.			trans	-59.3	147.5	169.8	79.6	0	0	0	0	110	L1055 F1056	S1053-L1055 PolarHBondContact O-N 2.9Å; S1053-F1056 PolarHBondContact O-N 2.91Å
1054	N	55.1	Low	56.2	Low	139 Å²	139	92.9 Å²	92.9	74%	0.743	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-52.4	-23.4	-179.2	-74.4	-14.4	0	0	0	113.6	F1056	N1054-F1056 VanDerWaalsContact C-N 3.25Å; N1054-F1056 PolarHBondContact O-N 3.29Å
1055	L	50.1	Low	54.9	Low	155 Å²	155	98.4 Å²	98.4	81%	0.812	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-66.4	-14.8	175.1	-117.1	111.9	0	0	0	115.4	S1053	S1053-L1055 PolarHBondContact O-N 2.9Å
1056	F	49.5	Very low	53.8	Low	76 Å²	76	101.3 Å²	101.3	33%	0.333	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-111.8	-0.5	-177.1	-133.6	-90.7	0	0	0	113.5	L1018 Y1052 S1053 N1054 E1058 L1060	L1018-F1056 HydrophobicContact CD1-CE2 4.14Å; L1018-F1056 HydrophobicContact CD2-CD2 3.77Å; L1018-F1056 HydrophobicContact CD2-CE2 3.85Å; Y1052-F1056 HydrophobicContact CD1-CB 4.24Å; Y1052-F1056 HydrophobicContact CD1-CD1 4.21Å; Y1052-F1056 HydrophobicContact CD1-CG 4.4Å; Y1052-F1056 HydrophobicContact CE1-CD1 4.43Å; S1053-F1056 PolarHBondContact O-N 2.91Å; N1054-F1056 VanDerWaalsContact C-N 3.25Å; N1054-F1056 PolarHBondContact O-N 3.29Å; F1056-E1058 VanDerWaalsContact C-N 3.32Å; F1056-L1060 HydrophobicContact CD1-CD1 4.12Å; F1056-L1060 HydrophobicContact CE1-CD1 4.33Å
1057	K	48.8	Very low	52.8	Low	145 Å²	145	104.8 Å²	104.8	63%	0.63	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.7	175.5	-96	-179	176	179	0	113.6
1058	E	45.8	Very low	52	Low	182 Å²	182	102.8 Å²	102.8	85%	0.85	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	0.6	-178.3	-70.4	-176.1	161.2	0	0	114.1	F1056	F1056-E1058 VanDerWaalsContact C-N 3.32Å
1059	T	47.9	Very low	51.5	Low	110 Å²	110	110.9 Å²	110.9	68%	0.675	55%	0.55	S	S	*	*			trans	-128.2	16.2	-175.4	28.5	0	0	0	0	114.6
1060	L	36.6	Very low	50.8	Low	139 Å²	139	111.3 Å²	111.3	73%	0.728	56%	0.555	S	S	*	*			trans	-121.2	0	178.4	-109.8	163.7	0	0	0	112.8	F1056	F1056-L1060 HydrophobicContact CD1-CD1 4.12Å; F1056-L1060 HydrophobicContact CE1-CD1 4.33Å

Retrieved 1,060 of 1,060 residues in 802.5 ms (Link to these results)

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