A0A077ZFK9_TRITR Loading...

Kunitz:Bovine pancreatic trypsin

AlphaFold DB , UniProt , Accession A0A077ZFK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,197 aa.

						>A0A077ZFK9_TRITR|A0A077ZFK9
MHQSCSTSSYVVGRGQCQPEPRLLCDPETYVNAPVGGQLSLYTFCNKDRLVEVGQCQQGYIFDYENRSCQPRKPFLKRRRQIYAIVGNSCNENIDCQTTDGGAYCDTTKRCACLPSFVNIHGFCYRKINPGQSGCSYPEQCNSVWPGAYCYLNECKCPDGQPPQRTRDGTVCTFPGFCPTNGAYSKLKGADGIEASCLEGSDDYCPPTYDCLCNPPAKSAMSACEGATFCCPSRGCPRGQPLYSPGSMTDRIPKGSRVACSASQTCIRDSNFFCHVNQVAGGSVENYCCPRPSFICSQEGGLPTGSVPYVVPPTPYDSGLSGGVSFKQRYYYDTAERRCKPFEYLGQAGNFNNFDSEAECKQFCSRIICIAGEPMRDQSDKLVTCGAAGTGICPLKYDCTNEGFCCPSRGFVCNQEQAIGSCINYVERWYFNPKSRGCERFYFSGCHGNANNFESYEQCMSFCGTSPVEPKCPQGFAFMESSGIYTECGGASASYSCPADYFCHFDGQRFGCCPTRRCPEGGEPYKEMGTGQYRICDPATLGCPVGFICTPTTIQSLYVRNNYCCATRATICSLSRDQGVQCGSSSLMRYYFNTVTKTCESLTYLGCGGNRNNFPTKEKCLSYCQSADCPLGQVALREHNSYNLVSCSRSSNVCPHDYSCIHSKLLATDICCGSSAPAGTCPAGQSAYMDALTNSPRQCQPNIDNSCPQGFFCTYSGSATNSFCCGTAMVHCPQGGEPYMEPFLNTPRQCTPGVANTCPANYACQTTLFNVGGVQSATGFCCGTPNVCPPHYAPFVQNNQPVTCIPTAFPSVCPAGYTCQRNSMLQQSYCCILSNHARNPCEQNKTPYRVQGAPVVCTQGSTVAGCPPGYTCDLNAESNSFYCCSFSPGQPMIGNCPPGYTLVQPSRYCSPNVPGSCGPNSICHYDSSQARYVCCSSVNIVPPPSIPSQFNPCPPPRQPFYNPTTGQPLACLLGTASSGCPNGYNCAYSAAMKNYFCCSRTGSPGPTRNVCPAGQEPAIDPMTRQPRICPLNVPGFRCPPGYRCTYRAADRQYYCCRAYDGRGVVPGTSQFNEGCPRGRPYIYPGTKTPLSCSPWGSRCPTGHSCLQAIGRSGYLCCSSNVRNRPLPLSSVNDTPNAVGSPCTSDSDCRPNPGEESVCHDGACACSHKEKNLDGQCVAEMCPVPYENVDGQCQAPQT
					

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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	33.7	Very low	38.3	Very low	247 Å²	247	125.7 Å²	125.7	100%	1.217	70%	0.699	S	S	*	*				0	134.4	0	-71.8	174.7	169.3	0	0	107.5
2	H	29.9	Very low	38.2	Very low	200 Å²	200	123 Å²	123	93%	0.926	69%	0.688	S	S	*	*			trans	-97.8	126.2	-177.2	-72.6	-90.4	0	0	0	111.7
3	Q	32.4	Very low	37.9	Very low	197 Å²	197	116 Å²	116	92%	0.921	66%	0.66	S	S	*	*			trans	-153.2	129.6	151.1	-107.5	174	7.1	0	0	107.5
4	S	38.9	Very low	38.2	Very low	107 Å²	107	127 Å²	127	75%	0.748	69%	0.686	S	S	*	*			trans	-99.3	115.7	-169.6	49.4	0	0	0	0	112	S6	S4-S6 PolarHBondContact O-N 2.77Å
5	C	42.9	Very low	38.6	Very low	46 Å²	46	123.2 Å²	123.2	31%	0.311	69%	0.688	S	S	.	*			trans	-69.2	92.8	169.1	-51.6	0	0	0	0	109.6	T7 V12 C17	C5-T7 PolarHBondContact O-N 3.38Å; C5-V12 WeakPolarHBondContact SG-CG2 3.3Å; C5-C17 HydrophobicContact CB-CB 4.06Å; C5-C17 WeakPolarHBondContact CB-SG 3.44Å; C5-C17 WeakPolarHBondContact SG-CB 3.47Å; C5-C17 CovalentContact SG-SG 2.05Å; C5-C17 PolarHBondContact SG-SG 3.19Å
6	S	38.7	Very low	38.8	Very low	103 Å²	103	124.2 Å²	124.2	72%	0.72	69%	0.686	S	S	*	*			trans	-89.6	80.4	-175.5	59.8	0	0	0	0	112.9	S4	S4-S6 PolarHBondContact O-N 2.77Å
7	T	37.4	Very low	39	Very low	103 Å²	103	120.8 Å²	120.8	63%	0.632	67%	0.672	S	S	*	*	S	Bend	trans	-176	156.4	155	13.3	0	0	0	0	110.3	C5 S9	C5-T7 PolarHBondContact O-N 3.38Å; T7-S9 VanDerWaalsContact C-N 3.25Å; T7-S9 PolarHBondContact O-N 3.09Å
8	S	42.3	Very low	39.1	Very low	123 Å²	123	120.6 Å²	120.6	86%	0.86	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	48.2	-167	63	0	0	0	0	115.2
9	S	44.6	Very low	39.4	Very low	51 Å²	51	118.9 Å²	118.9	36%	0.357	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-159.8	11.5	-173.4	48.7	0	0	0	0	116.3	T7 P19 E20	T7-S9 VanDerWaalsContact C-N 3.25Å; T7-S9 PolarHBondContact O-N 3.09Å; S9-P19 WeakPolarHBondContact O-CA 3.4Å; S9-E20 PolarHBondContact O-N 3.45Å
10	Y	41.8	Very low	39.6	Very low	118 Å²	118	119.2 Å²	119.2	46%	0.463	66%	0.656	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133	142.3	-177.4	-67	-94.7	0	0	0	113.2	C17 Q18 P19	Y10-C17 HydrophobicContact CD1-CB 4.17Å; Y10-C17 HydrophobicContact CG-CB 4.4Å; Y10-Q18 CarbonylContact C-O 3.47Å; Y10-Q18 VanDerWaalsContact CA-O 3.28Å; Y10-Q18 WeakPolarHBondContact CA-O 3.42Å; Y10-P19 HydrophobicContact CD1-CB 4.23Å; Y10-P19 HydrophobicContact CE1-CB 3.97Å; Y10-P19 HydrophobicContact CE1-CG 4.47Å
11	V	39.2	Very low	39.8	Very low	88 Å²	88	119.3 Å²	119.3	53%	0.533	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	145.4	176.9	-170.9	0	0	0	0	109.1	Q18 E20	V11-Q18 PolarHBondContact N-O 2.82Å; V11-Q18 PolarHBondContact O-N 3.28Å; V11-E20 HydrophobicContact CG2-CG 4.18Å
12	V	36.3	Very low	40.8	Very low	93 Å²	93	116.8 Å²	116.8	56%	0.564	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.6	118.2	-176	-179.6	0	0	0	0	111.8	C5 Q16	C5-V12 WeakPolarHBondContact SG-CG2 3.3Å; V12-Q16 WeakPolarHBondContact CA-O 3.47Å
13	G	35	Very low	41.8	Very low	32 Å²	32	113.5 Å²	113.5	33%	0.33	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.9	127.6	171.3	0	0	0	0	0	111	G15 Q16	G13-G15 PolarHBondContact O-N 3.44Å; G13-Q16 PolarHBondContact N-O 2.8Å; G13-Q16 PolarHBondContact O-N 2.85Å
14	R	42	Very low	43.3	Very low	270 Å²	270	110.4 Å²	110.4	100%	1.019	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.7	30.6	179.4	-66	-173.6	173.1	-169.6	-1.4	115.4
15	G	43.6	Very low	45.3	Very low	70 Å²	70	105.9 Å²	105.9	72%	0.722	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.4	14.3	179.3	0	0	0	0	0	115.6	G13	G13-G15 PolarHBondContact O-N 3.44Å
16	Q	42.6	Very low	47	Very low	139 Å²	139	107.1 Å²	107.1	65%	0.65	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.5	141.4	169.1	-65.7	-173.3	-19.7	0	0	110.8	V12 G13 Q18	V12-Q16 WeakPolarHBondContact CA-O 3.47Å; G13-Q16 PolarHBondContact N-O 2.8Å; G13-Q16 PolarHBondContact O-N 2.85Å; Q16-Q18 PolarHBondContact O-N 3.33Å
17	C	41.3	Very low	48.6	Very low	67 Å²	67	106 Å²	106	45%	0.453	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.4	118.8	170.2	-46	0	0	0	0	108.4	C5 Y10	C5-C17 HydrophobicContact CB-CB 4.06Å; C5-C17 WeakPolarHBondContact CB-SG 3.44Å; C5-C17 WeakPolarHBondContact SG-CB 3.47Å; C5-C17 CovalentContact SG-SG 2.05Å; C5-C17 PolarHBondContact SG-SG 3.19Å; Y10-C17 HydrophobicContact CD1-CB 4.17Å; Y10-C17 HydrophobicContact CG-CB 4.4Å
18	Q	41.3	Very low	50.2	Low	116 Å²	116	110 Å²	110	54%	0.542	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.4	142.6	174.3	-69.2	-169.7	-26.8	0	0	110.5	Y10 V11 Q16	Y10-Q18 CarbonylContact C-O 3.47Å; Y10-Q18 VanDerWaalsContact CA-O 3.28Å; Y10-Q18 WeakPolarHBondContact CA-O 3.42Å; V11-Q18 PolarHBondContact N-O 2.82Å; V11-Q18 PolarHBondContact O-N 3.28Å; Q16-Q18 PolarHBondContact O-N 3.33Å
19	P	43.8	Very low	51.5	Low	90 Å²	90	109 Å²	109	58%	0.584	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.7	152.4	-179.4	29.2	-34.9	0	0	0	111.6	S9 Y10	S9-P19 WeakPolarHBondContact O-CA 3.4Å; Y10-P19 HydrophobicContact CD1-CB 4.23Å; Y10-P19 HydrophobicContact CE1-CB 3.97Å; Y10-P19 HydrophobicContact CE1-CG 4.47Å
20	E	44.1	Very low	53	Low	124 Å²	124	109.4 Å²	109.4	58%	0.579	57%	0.574	S	S	*	*			trans	-56.3	143.9	179.9	-78	-170.7	125.5	0	0	113.8	S9 V11 R22	S9-E20 PolarHBondContact O-N 3.45Å; V11-E20 HydrophobicContact CG2-CG 4.18Å; E20-R22 PolarHBondContact O-N 3.16Å
21	P	43.8	Very low	54.4	Low	122 Å²	122	106.2 Å²	106.2	79%	0.792	57%	0.567	S	S	*	*			trans	-72.4	86.9	176.4	31.3	-35.1	0	0	0	111	L23	P21-L23 PolarHBondContact O-N 3.45Å
22	R	54.1	Low	56.3	Low	193 Å²	193	104.1 Å²	104.1	73%	0.728	55%	0.552	S	S	*	*			trans	-58.9	118	172.5	-79.5	-174	171.7	-166.2	-4.2	110.8	E20 L24 L50	E20-R22 PolarHBondContact O-N 3.16Å; R22-L24 PolarHBondContact O-N 3.34Å; R22-L50 HydrophobicContact CB-CD2 3.88Å; R22-L50 HydrophobicContact CG-CD2 4.4Å
23	L	51.9	Low	58.1	Low	131 Å²	131	101.4 Å²	101.4	69%	0.686	54%	0.54	S	S	*	.			trans	-66.8	103.1	177	-88.6	161.9	0	0	0	110.7	P21 V51	P21-L23 PolarHBondContact O-N 3.45Å; L23-V51 HydrophobicContact CB-CB 4.36Å; L23-V51 HydrophobicContact CB-CG2 4.2Å; L23-V51 PolarHBondContact O-N 3.39Å; L23-V51 VanDerWaalsContact O-N 3.16Å
24	L	64.6	Low	59.8	Low	133 Å²	133	102.8 Å²	102.8	70%	0.696	54%	0.543	S	S	*	.	B	Isolated β-bridge	trans	-76.5	142.1	173.8	-74.2	164	0	0	0	111.1	R22 R49 L50	R22-L24 PolarHBondContact O-N 3.34Å; L24-R49 CarbonylContact C-O 3.55Å; L24-R49 VanDerWaalsContact CA-O 3.22Å; L24-R49 WeakPolarHBondContact CA-O 3.42Å; L24-R49 HydrophobicContact CD2-CB 4.12Å; L24-L50 HydrophobicContact CD2-CD2 4.36Å
25	C	80.2	Confident	61	Low	11 Å²	11	92 Å²	92	7%	0.074	51%	0.507	C	S	.	.			trans	-130.2	150.2	176.2	55.3	0	0	0	0	111.4	Y30 C45 R49 L50 V51	C25-Y30 HydrophobicContact CB-CD2 3.46Å; C25-Y30 VanDerWaalsContact CB-CD2 3.46Å; C25-Y30 HydrophobicContact CB-CE2 3.95Å; C25-Y30 HydrophobicContact CB-CG 4.05Å; C25-C45 HydrophobicContact CB-CB 3.8Å; C25-C45 WeakPolarHBondContact CB-SG 3.31Å; C25-C45 WeakPolarHBondContact SG-CA 3.29Å; C25-C45 WeakPolarHBondContact SG-CB 3.47Å; C25-C45 CovalentContact SG-SG 2.03Å; C25-C45 PolarHBondContact SG-SG 2.87Å; C25-R49 PolarHBondContact N-O 2.84Å; C25-R49 WeakPolarHBondContact O-CB 3.07Å; C25-R49 PolarHBondContact SG-O 2.78Å; C25-R49 VanDerWaalsContact SG-O 3.36Å; C25-L50 PolarHBondContact SG-O 3.13Å; C25-V51 HydrophobicContact CB-CG2 3.9Å
26	D	77.8	Confident	61	Low	73 Å²	73	92.3 Å²	92.3	39%	0.39	51%	0.51	S	S	.	.			trans	-95.8	116.8	172.7	-178.7	-7	0	0	0	109.6	E28 T29 Y30	D26-E28 PolarHBondContact O-N 3.13Å; D26-E28 VanDerWaalsContact O-N 3.14Å; D26-E28 PolarHBondContact OD1-N 2.7Å; D26-T29 PolarHBondContact O-N 2.77Å; D26-Y30 WeakPolarHBondContact O-CB 3.45Å; D26-Y30 PolarHBondContact O-N 2.7Å
27	P	73.8	Confident	61.7	Low	78 Å²	78	89.3 Å²	89.3	51%	0.506	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.7	179.1	-26.4	35.9	0	0	0	115.4	R49	P27-R49 HydrophobicContact CG-CG 4.41Å
28	E	70.7	Confident	63	Low	187 Å²	187	91.6 Å²	91.6	87%	0.874	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-24.7	179.8	-64.1	-162.4	170.7	0	0	113.4	D26	D26-E28 PolarHBondContact O-N 3.13Å; D26-E28 VanDerWaalsContact O-N 3.14Å; D26-E28 PolarHBondContact OD1-N 2.7Å
29	T	70	Confident	64.4	Low	102 Å²	102	90.7 Å²	90.7	63%	0.626	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-10.6	-176.9	76	0	0	0	0	114.9	D26	D26-T29 PolarHBondContact O-N 2.77Å
30	Y	75.3	Confident	66.2	Low	60 Å²	60	88.7 Å²	88.7	24%	0.235	51%	0.507	C	S	.	.			trans	-67.1	134.4	-178.6	-167.4	-93.5	0	0	0	112.2	C25 D26 T43 C45 V51	C25-Y30 HydrophobicContact CB-CD2 3.46Å; C25-Y30 VanDerWaalsContact CB-CD2 3.46Å; C25-Y30 HydrophobicContact CB-CE2 3.95Å; C25-Y30 HydrophobicContact CB-CG 4.05Å; D26-Y30 WeakPolarHBondContact O-CB 3.45Å; D26-Y30 PolarHBondContact O-N 2.7Å; Y30-T43 WeakPolarHBondContact OH-CB 3.48Å; Y30-T43 PolarHBondContact OH-OG1 2.83Å; Y30-C45 HydrophobicContact CD1-CB 3.82Å; Y30-C45 HydrophobicContact CD2-CB 4.46Å; Y30-C45 HydrophobicContact CG-CB 3.78Å; Y30-V51 HydrophobicContact CE2-CG2 3.7Å; Y30-V51 WeakPolarHBondContact OH-CG1 3.1Å
31	V	71.4	Confident	68.1	Low	52 Å²	52	84.2 Å²	84.2	32%	0.315	49%	0.487	S	S	.	.			trans	-112.9	119.6	176.5	-173.9	0	0	0	0	109.3	A33 Y64	V31-A33 PolarHBondContact O-N 2.7Å; V31-Y64 HydrophobicContact CG1-CE2 3.67Å
32	N	79.8	Confident	70.2	Confident	44 Å²	44	80.8 Å²	80.8	24%	0.235	46%	0.459	C	S	.	.			trans	-60.7	124.4	175.7	-64.8	0.4	0	0	0	110.5	T43 F44 F62	N32-T43 WeakPolarHBondContact CA-O 3.34Å; N32-T43 WeakPolarHBondContact CB-O 3.34Å; N32-T43 VanDerWaalsContact CG-O 3.28Å; N32-T43 PolarHBondContact OD1-O 2.79Å; N32-F44 WeakPolarHBondContact OD1-CA 3.16Å; N32-F62 HydrophobicContact CB-CE1 4.1Å; N32-F62 HydrophobicContact CB-CE2 4.5Å; N32-F62 HydrophobicContact CB-CZ 3.61Å
33	A	72.1	Confident	71.8	Confident	36 Å²	36	72.7 Å²	72.7	30%	0.298	43%	0.431	S	S	.	.			trans	-126.5	143.6	-173	0	0	0	0	0	112.1	V31 Y42 T43	V31-A33 PolarHBondContact O-N 2.7Å; A33-Y42 CarbonylContact O-C 3.49Å; A33-Y42 VanDerWaalsContact O-CA 3.28Å; A33-Y42 WeakPolarHBondContact O-CA 3.25Å; A33-T43 PolarHBondContact N-OG1 3.5Å; A33-T43 VanDerWaalsContact N-OG1 3.14Å; A33-T43 PolarHBondContact O-N 3.17Å; A33-T43 PolarHBondContact O-OG1 2.85Å
34	P	71	Confident	73.5	Confident	60 Å²	60	69.1 Å²	69.1	39%	0.39	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-67.7	138.1	-179.6	27.6	-34.5	0	0	0	112.3	L41	P34-L41 VanDerWaalsContact CA-O 3.32Å; P34-L41 WeakPolarHBondContact CA-O 3.49Å
35	V	68.7	Low	74.6	Confident	43 Å²	43	64 Å²	64	26%	0.261	39%	0.385	S	S	.	.			trans	-87.7	120.5	-174.7	-178.2	0	0	0	0	111.5	G37 Q38 L41 T43 V53	V35-G37 VanDerWaalsContact C-N 3.3Å; V35-G37 PolarHBondContact O-N 2.03Å; V35-Q38 PolarHBondContact O-N 3.43Å; V35-L41 HydrophobicContact CB-CB 3.86Å; V35-L41 HydrophobicContact CG2-CB 4.16Å; V35-L41 PolarHBondContact N-O 3.3Å; V35-T43 HydrophobicContact CG2-CG2 3.77Å; V35-V53 HydrophobicContact CG2-CG1 4.02Å; V35-V53 HydrophobicContact CG2-CG2 4.18Å
36	G	43.6	Very low	74.8	Confident	78 Å²	78	64.1 Å²	64.1	80%	0.804	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.5	156.5	0	0	0	0	0	116.8	Q38	G36-Q38 PolarHBondContact O-N 2.86Å
37	G	57.2	Low	75	Confident	76 Å²	76	69.5 Å²	69.5	78%	0.784	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-5.9	-176.8	0	0	0	0	0	115.2	V35 L39	V35-G37 VanDerWaalsContact C-N 3.3Å; V35-G37 PolarHBondContact O-N 2.03Å; G37-L39 PolarHBondContact O-N 3.18Å
38	Q	67.7	Low	75.5	Confident	115 Å²	115	70.5 Å²	70.5	54%	0.537	41%	0.406	S	S	.	.			trans	-83.8	91.5	172.2	-65	-170	-58	0	0	109.6	V35 G36 S40 L41	V35-Q38 PolarHBondContact O-N 3.43Å; G36-Q38 PolarHBondContact O-N 2.86Å; Q38-S40 PolarHBondContact O-N 2.88Å; Q38-L41 HydrophobicContact CB-CB 4.4Å; Q38-L41 HydrophobicContact CB-CD1 4.28Å; Q38-L41 HydrophobicContact CB-CG 4.26Å; Q38-L41 PolarHBondContact O-N 3.15Å
39	L	71.8	Confident	76	Confident	97 Å²	97	68.8 Å²	68.8	51%	0.508	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-7.6	179.5	-65	172.8	0	0	0	115.1	G37 I61 F62	G37-L39 PolarHBondContact O-N 3.18Å; L39-I61 HydrophobicContact CB-CB 4.26Å; L39-I61 HydrophobicContact CB-CG2 3.9Å; L39-I61 CarbonylContact O-C 3.57Å; L39-I61 VanDerWaalsContact O-CA 3.27Å; L39-I61 WeakPolarHBondContact O-CA 3.24Å; L39-F62 PolarHBondContact O-N 2.83Å
40	S	80.4	Confident	76.6	Confident	48 Å²	48	65.7 Å²	65.7	34%	0.336	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.9	173.3	55.1	0	0	0	0	114.2	Q38 Q55 C56	Q38-S40 PolarHBondContact O-N 2.88Å; S40-Q55 WeakPolarHBondContact O-CA 3.45Å; S40-C56 PolarHBondContact O-N 3.15Å
41	L	84	Confident	76.7	Confident	30 Å²	30	65.1 Å²	65.1	16%	0.157	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.8	178.4	-65.1	-175	0	0	0	111	P34 V35 Q38 V53 G54 Q55	P34-L41 VanDerWaalsContact CA-O 3.32Å; P34-L41 WeakPolarHBondContact CA-O 3.49Å; V35-L41 HydrophobicContact CB-CB 3.86Å; V35-L41 HydrophobicContact CG2-CB 4.16Å; V35-L41 PolarHBondContact N-O 3.3Å; Q38-L41 HydrophobicContact CB-CB 4.4Å; Q38-L41 HydrophobicContact CB-CD1 4.28Å; Q38-L41 HydrophobicContact CB-CG 4.26Å; Q38-L41 PolarHBondContact O-N 3.15Å; L41-V53 HydrophobicContact CB-CG1 4.28Å; L41-V53 HydrophobicContact CD1-CG1 4.38Å; L41-V53 HydrophobicContact CD2-CG1 4.29Å; L41-G54 WeakPolarHBondContact CA-O 3.23Å; L41-Q55 HydrophobicContact CD2-CB 3.71Å; L41-Q55 HydrophobicContact CD2-CG 3.81Å
42	Y	88.6	Confident	77.3	Confident	49 Å²	49	66.9 Å²	66.9	19%	0.192	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.3	177.2	62.6	-86.9	0	0	0	110.9	A33 F44 V53 G54 F62	A33-Y42 CarbonylContact O-C 3.49Å; A33-Y42 VanDerWaalsContact O-CA 3.28Å; A33-Y42 WeakPolarHBondContact O-CA 3.25Å; Y42-F44 HydrophobicContact CD2-CD1 4.5Å; Y42-F44 HydrophobicContact CE2-CB 4.33Å; Y42-F44 HydrophobicContact CE2-CD1 4.03Å; Y42-V53 CarbonylContact O-C 3.54Å; Y42-V53 WeakPolarHBondContact O-CA 3.4Å; Y42-G54 VanDerWaalsContact CE1-C 3.5Å; Y42-G54 PolarHBondContact N-O 3.16Å; Y42-G54 PolarHBondContact O-N 3.09Å; Y42-F62 HydrophobicContact CD1-CB 4.26Å; Y42-F62 AromaticContact CD1-CD2 3.45Å; Y42-F62 HydrophobicContact CD1-CD2 3.45Å; Y42-F62 VanDerWaalsContact CD1-CD2 3.45Å; Y42-F62 HydrophobicContact CD1-CE2 4.06Å; Y42-F62 HydrophobicContact CD1-CG 4.02Å; Y42-F62 HydrophobicContact CD2-CD2 4.1Å; Y42-F62 AromaticContact CD2-CE2 3.87Å; Y42-F62 HydrophobicContact CD2-CE2 3.87Å; Y42-F62 HydrophobicContact CD2-CZ 4.4Å; Y42-F62 HydrophobicContact CE1-CD2 4.13Å; Y42-F62 HydrophobicContact CE2-CE2 4.4Å; Y42-F62 HydrophobicContact CG-CB 4.5Å; Y42-F62 HydrophobicContact CG-CD1 4.49Å; Y42-F62 AromaticContact CG-CD2 3.44Å; Y42-F62 HydrophobicContact CG-CD2 3.44Å; Y42-F62 VanDerWaalsContact CG-CD2 3.44Å; Y42-F62 AromaticContact CG-CE2 3.69Å; Y42-F62 HydrophobicContact CG-CE2 3.69Å; Y42-F62 AromaticContact CG-CG 3.89Å; Y42-F62 HydrophobicContact CG-CG 3.89Å; Y42-F62 HydrophobicContact CG-CZ 4.32Å
43	T	87.7	Confident	77.5	Confident	23 Å²	23	69 Å²	69	14%	0.141	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	152.4	169.4	62.4	0	0	0	0	111.1	Y30 N32 A33 V35 V51 E52	Y30-T43 WeakPolarHBondContact OH-CB 3.48Å; Y30-T43 PolarHBondContact OH-OG1 2.83Å; N32-T43 WeakPolarHBondContact CA-O 3.34Å; N32-T43 WeakPolarHBondContact CB-O 3.34Å; N32-T43 VanDerWaalsContact CG-O 3.28Å; N32-T43 PolarHBondContact OD1-O 2.79Å; A33-T43 PolarHBondContact N-OG1 3.5Å; A33-T43 VanDerWaalsContact N-OG1 3.14Å; A33-T43 PolarHBondContact O-N 3.17Å; A33-T43 PolarHBondContact O-OG1 2.85Å; V35-T43 HydrophobicContact CG2-CG2 3.77Å; T43-V51 HydrophobicContact CG2-CG1 4.22Å; T43-E52 CarbonylContact C-O 3.59Å; T43-E52 VanDerWaalsContact CA-O 3.26Å; T43-E52 WeakPolarHBondContact CA-O 3.03Å
44	F	87.7	Confident	78.2	Confident	56 Å²	56	67.7 Å²	67.7	25%	0.246	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.6	168.7	67.5	-84.4	0	0	0	111	N32 Y42 N46 E52	N32-F44 WeakPolarHBondContact OD1-CA 3.16Å; Y42-F44 HydrophobicContact CD2-CD1 4.5Å; Y42-F44 HydrophobicContact CE2-CB 4.33Å; Y42-F44 HydrophobicContact CE2-CD1 4.03Å; F44-N46 HydrophobicContact CE2-CB 4.14Å; F44-E52 HydrophobicContact CD1-CB 4.26Å; F44-E52 HydrophobicContact CD2-CB 4.48Å; F44-E52 HydrophobicContact CE1-CB 3.66Å; F44-E52 HydrophobicContact CE2-CB 3.91Å; F44-E52 HydrophobicContact CZ-CB 3.46Å; F44-E52 VanDerWaalsContact CZ-CB 3.46Å; F44-E52 HydrophobicContact CZ-CG 4.4Å; F44-E52 WeakPolarHBondContact CZ-OE2 3.49Å; F44-E52 PolarHBondContact N-O 3.27Å; F44-E52 PolarHBondContact O-N 3.49Å
45	C	86.9	Confident	79.1	Confident	27 Å²	27	71.8 Å²	71.8	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122	172.1	-167.9	0	0	0	0	109.8	C25 Y30	C25-C45 HydrophobicContact CB-CB 3.8Å; C25-C45 WeakPolarHBondContact CB-SG 3.31Å; C25-C45 WeakPolarHBondContact SG-CA 3.29Å; C25-C45 WeakPolarHBondContact SG-CB 3.47Å; C25-C45 CovalentContact SG-SG 2.03Å; C25-C45 PolarHBondContact SG-SG 2.87Å; Y30-C45 HydrophobicContact CD1-CB 3.82Å; Y30-C45 HydrophobicContact CD2-CB 4.46Å; Y30-C45 HydrophobicContact CG-CB 3.78Å
46	N	84.2	Confident	80	Confident	12 Å²	12	70.1 Å²	70.1	6%	0.064	39%	0.387	C	S	.	.			trans	-81.3	169	178.1	91.8	-5.6	0	0	0	111.7	F44 D48 R49 L50 E52	F44-N46 HydrophobicContact CE2-CB 4.14Å; N46-D48 PolarHBondContact O-N 3.04Å; N46-D48 VanDerWaalsContact O-N 3.16Å; N46-D48 VanDerWaalsContact OD1-C 3.3Å; N46-D48 VanDerWaalsContact OD1-CA 3.3Å; N46-D48 WeakPolarHBondContact OD1-CA 3.45Å; N46-D48 WeakPolarHBondContact OD1-CB 3.42Å; N46-D48 PolarHBondContact OD1-N 3.28Å; N46-R49 PolarHBondContact O-N 2.86Å; N46-R49 PolarHBondContact OD1-N 2.9Å; N46-L50 PolarHBondContact N-O 3.43Å; N46-L50 PolarHBondContact OD1-N 2.64Å; N46-L50 PolarHBondContact OD1-O 3.14Å; N46-E52 HydrophobicContact CB-CG 4.12Å; N46-E52 PolarHBondContact ND2-OE1 3.23Å
47	K	81.7	Confident	82	Confident	186 Å²	186	73.3 Å²	73.3	81%	0.809	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.1	178.6	65.5	-177.9	-177.4	174.6	0	114.6	R49	K47-R49 VanDerWaalsContact C-N 3.28Å
48	D	84	Confident	82.9	Confident	100 Å²	100	79.3 Å²	79.3	54%	0.535	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	14.1	-177.9	-53.2	-60.3	0	0	0	111.5	N46 L50	N46-D48 PolarHBondContact O-N 3.04Å; N46-D48 VanDerWaalsContact O-N 3.16Å; N46-D48 VanDerWaalsContact OD1-C 3.3Å; N46-D48 VanDerWaalsContact OD1-CA 3.3Å; N46-D48 WeakPolarHBondContact OD1-CA 3.45Å; N46-D48 WeakPolarHBondContact OD1-CB 3.42Å; N46-D48 PolarHBondContact OD1-N 3.28Å; D48-L50 VanDerWaalsContact C-N 3.31Å; D48-L50 PolarHBondContact O-N 2.87Å
49	R	82.9	Confident	83.3	Confident	151 Å²	151	76.2 Å²	76.2	57%	0.57	39%	0.387	S	S	*	.	S	Bend	trans	62.4	28.5	-176.5	-61	-173.3	179.3	-164	-4.4	114.4	L24 C25 P27 N46 K47	L24-R49 CarbonylContact C-O 3.55Å; L24-R49 VanDerWaalsContact CA-O 3.22Å; L24-R49 WeakPolarHBondContact CA-O 3.42Å; L24-R49 HydrophobicContact CD2-CB 4.12Å; C25-R49 PolarHBondContact N-O 2.84Å; C25-R49 WeakPolarHBondContact O-CB 3.07Å; C25-R49 PolarHBondContact SG-O 2.78Å; C25-R49 VanDerWaalsContact SG-O 3.36Å; P27-R49 HydrophobicContact CG-CG 4.41Å; N46-R49 PolarHBondContact O-N 2.86Å; N46-R49 PolarHBondContact OD1-N 2.9Å; K47-R49 VanDerWaalsContact C-N 3.28Å
50	L	80.8	Confident	84.1	Confident	36 Å²	36	76.1 Å²	76.1	19%	0.188	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-105.8	144.2	176.7	-58.3	176.3	0	0	0	111.6	R22 L24 C25 N46 D48 E52	R22-L50 HydrophobicContact CB-CD2 3.88Å; R22-L50 HydrophobicContact CG-CD2 4.4Å; L24-L50 HydrophobicContact CD2-CD2 4.36Å; C25-L50 PolarHBondContact SG-O 3.13Å; N46-L50 PolarHBondContact N-O 3.43Å; N46-L50 PolarHBondContact OD1-N 2.64Å; N46-L50 PolarHBondContact OD1-O 3.14Å; D48-L50 VanDerWaalsContact C-N 3.31Å; D48-L50 PolarHBondContact O-N 2.87Å; L50-E52 PolarHBondContact O-N 3.47Å
51	V	77.9	Confident	84.2	Confident	48 Å²	48	76.5 Å²	76.5	29%	0.291	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118.2	171.3	179.2	0	0	0	0	110.1	L23 C25 Y30 T43	L23-V51 HydrophobicContact CB-CB 4.36Å; L23-V51 HydrophobicContact CB-CG2 4.2Å; L23-V51 PolarHBondContact O-N 3.39Å; L23-V51 VanDerWaalsContact O-N 3.16Å; C25-V51 HydrophobicContact CB-CG2 3.9Å; Y30-V51 HydrophobicContact CE2-CG2 3.7Å; Y30-V51 WeakPolarHBondContact OH-CG1 3.1Å; T43-V51 HydrophobicContact CG2-CG1 4.22Å
52	E	84.2	Confident	84.2	Confident	89 Å²	89	75.7 Å²	75.7	42%	0.416	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	165.6	173.1	-79.1	-178.2	-169	0	0	111.3	T43 F44 N46 L50	T43-E52 CarbonylContact C-O 3.59Å; T43-E52 VanDerWaalsContact CA-O 3.26Å; T43-E52 WeakPolarHBondContact CA-O 3.03Å; F44-E52 HydrophobicContact CD1-CB 4.26Å; F44-E52 HydrophobicContact CD2-CB 4.48Å; F44-E52 HydrophobicContact CE1-CB 3.66Å; F44-E52 HydrophobicContact CE2-CB 3.91Å; F44-E52 HydrophobicContact CZ-CB 3.46Å; F44-E52 VanDerWaalsContact CZ-CB 3.46Å; F44-E52 HydrophobicContact CZ-CG 4.4Å; F44-E52 WeakPolarHBondContact CZ-OE2 3.49Å; F44-E52 PolarHBondContact N-O 3.27Å; F44-E52 PolarHBondContact O-N 3.49Å; N46-E52 HydrophobicContact CB-CG 4.12Å; N46-E52 PolarHBondContact ND2-OE1 3.23Å; L50-E52 PolarHBondContact O-N 3.47Å
53	V	85.2	Confident	83.8	Confident	88 Å²	88	75.3 Å²	75.3	53%	0.533	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.9	177.2	177.7	0	0	0	0	110	V35 L41 Y42	V35-V53 HydrophobicContact CG2-CG1 4.02Å; V35-V53 HydrophobicContact CG2-CG2 4.18Å; L41-V53 HydrophobicContact CB-CG1 4.28Å; L41-V53 HydrophobicContact CD1-CG1 4.38Å; L41-V53 HydrophobicContact CD2-CG1 4.29Å; Y42-V53 CarbonylContact O-C 3.54Å; Y42-V53 WeakPolarHBondContact O-CA 3.4Å
54	G	85.8	Confident	83.1	Confident	9 Å²	9	80.5 Å²	80.5	9%	0.093	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	161.9	171.6	0	0	0	0	0	112.3	L41 Y42	L41-G54 WeakPolarHBondContact CA-O 3.23Å; Y42-G54 VanDerWaalsContact CE1-C 3.5Å; Y42-G54 PolarHBondContact N-O 3.16Å; Y42-G54 PolarHBondContact O-N 3.09Å
55	Q	89.6	Confident	82.2	Confident	147 Å²	147	86.1 Å²	86.1	69%	0.687	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	-176.8	-179.6	171.5	3.7	0	0	111	S40 L41	S40-Q55 WeakPolarHBondContact O-CA 3.45Å; L41-Q55 HydrophobicContact CD2-CB 3.71Å; L41-Q55 HydrophobicContact CD2-CG 3.81Å
56	C	87.3	Confident	81.7	Confident	7 Å²	7	89.6 Å²	89.6	5%	0.047	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-75.3	150.5	173.1	-68	0	0	0	0	112.1	S40 C69	S40-C56 PolarHBondContact O-N 3.15Å; C56-C69 WeakPolarHBondContact CA-SG 3.47Å; C56-C69 HydrophobicContact CB-CB 3.77Å; C56-C69 WeakPolarHBondContact CB-SG 3.21Å; C56-C69 WeakPolarHBondContact SG-CB 3.24Å; C56-C69 CovalentContact SG-SG 2.04Å; C56-C69 PolarHBondContact SG-SG 3.42Å
57	Q	85.4	Confident	81.4	Confident	146 Å²	146	96.3 Å²	96.3	68%	0.682	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-58.7	154.5	174.2	-70.4	-173.7	-10.5	0	0	112.1	G59 Y60	Q57-G59 PolarHBondContact O-N 2.56Å; Q57-Y60 HydrophobicContact CB-CD2 3.99Å; Q57-Y60 WeakPolarHBondContact O-CB 3.4Å; Q57-Y60 PolarHBondContact O-N 3.45Å
58	Q	78	Confident	81.6	Confident	201 Å²	201	89.4 Å²	89.4	94%	0.939	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	123.9	-177.5	-151.5	174.3	25.7	0	0	110.8
59	G	74.6	Confident	81.8	Confident	50 Å²	50	86.6 Å²	86.6	52%	0.515	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-1.6	-173.9	0	0	0	0	0	115.5	Q57 R72	Q57-G59 PolarHBondContact O-N 2.56Å; G59-R72 WeakPolarHBondContact O-CB 3.45Å; G59-R72 PolarHBondContact O-N 3.02Å
60	Y	88.3	Confident	81.9	Confident	95 Å²	95	82.3 Å²	82.3	37%	0.373	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	157.1	171.3	-67.9	-114.5	0	0	0	110.8	Q57 C69 Q70 P71	Q57-Y60 HydrophobicContact CB-CD2 3.99Å; Q57-Y60 WeakPolarHBondContact O-CB 3.4Å; Q57-Y60 PolarHBondContact O-N 3.45Å; Y60-C69 HydrophobicContact CD1-CB 4.44Å; Y60-Q70 CarbonylContact C-O 3.58Å; Y60-Q70 VanDerWaalsContact CA-O 3.26Å; Y60-Q70 WeakPolarHBondContact CA-O 3.13Å; Y60-Q70 WeakPolarHBondContact CB-O 3.47Å; Y60-P71 HydrophobicContact CD1-CB 4.11Å; Y60-P71 VanDerWaalsContact CD1-N 3.31Å; Y60-P71 HydrophobicContact CE1-CB 3.78Å; Y60-P71 HydrophobicContact CE1-CG 4.15Å
61	I	84.2	Confident	81.9	Confident	56 Å²	56	83.3 Å²	83.3	29%	0.287	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.8	173.5	52	174.7	0	0	0	109.4	L39 D63 C69 Q70	L39-I61 HydrophobicContact CB-CB 4.26Å; L39-I61 HydrophobicContact CB-CG2 3.9Å; L39-I61 CarbonylContact O-C 3.57Å; L39-I61 VanDerWaalsContact O-CA 3.27Å; L39-I61 WeakPolarHBondContact O-CA 3.24Å; I61-D63 PolarHBondContact O-N 3.3Å; I61-C69 CarbonylContact O-C 2.9Å; I61-C69 WeakPolarHBondContact O-CA 3.39Å; I61-Q70 PolarHBondContact N-O 3.4Å; I61-Q70 PolarHBondContact O-N 2.92Å
62	F	83.5	Confident	81.1	Confident	14 Å²	14	89.9 Å²	89.9	6%	0.061	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.4	176.7	-169.4	-99	0	0	0	110.4	N32 L39 Y42	N32-F62 HydrophobicContact CB-CE1 4.1Å; N32-F62 HydrophobicContact CB-CE2 4.5Å; N32-F62 HydrophobicContact CB-CZ 3.61Å; L39-F62 PolarHBondContact O-N 2.83Å; Y42-F62 HydrophobicContact CD1-CB 4.26Å; Y42-F62 AromaticContact CD1-CD2 3.45Å; Y42-F62 HydrophobicContact CD1-CD2 3.45Å; Y42-F62 VanDerWaalsContact CD1-CD2 3.45Å; Y42-F62 HydrophobicContact CD1-CE2 4.06Å; Y42-F62 HydrophobicContact CD1-CG 4.02Å; Y42-F62 HydrophobicContact CD2-CD2 4.1Å; Y42-F62 AromaticContact CD2-CE2 3.87Å; Y42-F62 HydrophobicContact CD2-CE2 3.87Å; Y42-F62 HydrophobicContact CD2-CZ 4.4Å; Y42-F62 HydrophobicContact CE1-CD2 4.13Å; Y42-F62 HydrophobicContact CE2-CE2 4.4Å; Y42-F62 HydrophobicContact CG-CB 4.5Å; Y42-F62 HydrophobicContact CG-CD1 4.49Å; Y42-F62 AromaticContact CG-CD2 3.44Å; Y42-F62 HydrophobicContact CG-CD2 3.44Å; Y42-F62 VanDerWaalsContact CG-CD2 3.44Å; Y42-F62 AromaticContact CG-CE2 3.69Å; Y42-F62 HydrophobicContact CG-CE2 3.69Å; Y42-F62 AromaticContact CG-CG 3.89Å; Y42-F62 HydrophobicContact CG-CG 3.89Å; Y42-F62 HydrophobicContact CG-CZ 4.32Å
63	D	79.7	Confident	79.7	Confident	40 Å²	40	92.5 Å²	92.5	21%	0.214	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116	176.2	-174	-38.1	0	0	0	108.9	I61 E65 N66 R67 S68 Q70	I61-D63 PolarHBondContact O-N 3.3Å; D63-E65 PolarHBondContact OD1-N 2.85Å; D63-N66 HydrophobicContact CB-CB 4.19Å; D63-N66 VanDerWaalsContact CG-ND2 3.29Å; D63-N66 PolarHBondContact OD1-N 2.81Å; D63-N66 PolarHBondContact OD1-ND2 3.02Å; D63-N66 PolarHBondContact OD2-ND2 2.87Å; D63-R67 CarbonylContact O-C 3.56Å; D63-R67 WeakPolarHBondContact O-CA 3.31Å; D63-R67 PolarHBondContact O-N 2.97Å; D63-S68 WeakPolarHBondContact CB-O 3.26Å; D63-S68 PolarHBondContact N-O 3.34Å; D63-S68 PolarHBondContact O-N 2.8Å; D63-Q70 HydrophobicContact CB-CB 4.16Å; D63-Q70 HydrophobicContact CB-CG 3.59Å
64	Y	72.9	Confident	77.5	Confident	133 Å²	133	93.9 Å²	93.9	52%	0.522	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-31.6	-177.9	178.6	-99.1	0	0	0	112.9	V31	V31-Y64 HydrophobicContact CG1-CE2 3.67Å
65	E	69	Low	75.1	Confident	173 Å²	173	102.4 Å²	102.4	81%	0.808	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-46	178.1	-61.8	-171.9	151.8	0	0	110.4	D63 R67	D63-E65 PolarHBondContact OD1-N 2.85Å; E65-R67 VanDerWaalsContact C-N 3.32Å
66	N	75.6	Confident	72.4	Confident	101 Å²	101	103.1 Å²	103.1	54%	0.54	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.4	179.5	-65.2	-74.1	0	0	0	113.7	D63 S68	D63-N66 HydrophobicContact CB-CB 4.19Å; D63-N66 VanDerWaalsContact CG-ND2 3.29Å; D63-N66 PolarHBondContact OD1-N 2.81Å; D63-N66 PolarHBondContact OD1-ND2 3.02Å; D63-N66 PolarHBondContact OD2-ND2 2.87Å; N66-S68 PolarHBondContact O-N 3.32Å; N66-S68 VanDerWaalsContact O-N 3.12Å
67	R	78.4	Confident	69.8	Low	153 Å²	153	112.7 Å²	112.7	58%	0.577	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	29.5	-178.2	-53.3	-172.8	-174.2	-159.3	2.3	114.7	D63 E65	D63-R67 CarbonylContact O-C 3.56Å; D63-R67 WeakPolarHBondContact O-CA 3.31Å; D63-R67 PolarHBondContact O-N 2.97Å; E65-R67 VanDerWaalsContact C-N 3.32Å
68	S	86.8	Confident	67.1	Low	41 Å²	41	117.3 Å²	117.3	29%	0.287	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.1	158.8	-172.4	91	0	0	0	0	112.7	D63 N66 Q70	D63-S68 WeakPolarHBondContact CB-O 3.26Å; D63-S68 PolarHBondContact N-O 3.34Å; D63-S68 PolarHBondContact O-N 2.8Å; N66-S68 PolarHBondContact O-N 3.32Å; N66-S68 VanDerWaalsContact O-N 3.12Å; S68-Q70 PolarHBondContact O-N 2.85Å; S68-Q70 PolarHBondContact OG-NE2 2.82Å
69	C	88.2	Confident	64.9	Low	41 Å²	41	119.6 Å²	119.6	28%	0.277	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.7	127.4	165.2	-61.8	0	0	0	0	110	C56 Y60 I61	C56-C69 WeakPolarHBondContact CA-SG 3.47Å; C56-C69 HydrophobicContact CB-CB 3.77Å; C56-C69 WeakPolarHBondContact CB-SG 3.21Å; C56-C69 WeakPolarHBondContact SG-CB 3.24Å; C56-C69 CovalentContact SG-SG 2.04Å; C56-C69 PolarHBondContact SG-SG 3.42Å; Y60-C69 HydrophobicContact CD1-CB 4.44Å; I61-C69 CarbonylContact O-C 2.9Å; I61-C69 WeakPolarHBondContact O-CA 3.39Å
70	Q	83.6	Confident	62.8	Low	61 Å²	61	128.5 Å²	128.5	29%	0.285	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.4	143.2	179.7	-71.4	-68	-27.5	0	0	110.6	Y60 I61 D63 S68	Y60-Q70 CarbonylContact C-O 3.58Å; Y60-Q70 VanDerWaalsContact CA-O 3.26Å; Y60-Q70 WeakPolarHBondContact CA-O 3.13Å; Y60-Q70 WeakPolarHBondContact CB-O 3.47Å; I61-Q70 PolarHBondContact N-O 3.4Å; I61-Q70 PolarHBondContact O-N 2.92Å; D63-Q70 HydrophobicContact CB-CB 4.16Å; D63-Q70 HydrophobicContact CB-CG 3.59Å; S68-Q70 PolarHBondContact O-N 2.85Å; S68-Q70 PolarHBondContact OG-NE2 2.82Å
71	P	80.8	Confident	60.3	Low	57 Å²	57	131.2 Å²	131.2	37%	0.37	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.5	138.9	-179.4	27.9	-33.2	0	0	0	110.5	Y60 K73	Y60-P71 HydrophobicContact CD1-CB 4.11Å; Y60-P71 VanDerWaalsContact CD1-N 3.31Å; Y60-P71 HydrophobicContact CE1-CB 3.78Å; Y60-P71 HydrophobicContact CE1-CG 4.15Å; P71-K73 PolarHBondContact O-N 3.11Å
72	R	61.6	Low	58.3	Low	186 Å²	186	134.9 Å²	134.9	70%	0.702	61%	0.607	S	S	*	*			trans	-70.8	82.5	-172.3	-165	179.4	-168.4	-169	4.7	112.4	G59	G59-R72 WeakPolarHBondContact O-CB 3.45Å; G59-R72 PolarHBondContact O-N 3.02Å
73	K	54.7	Low	56.7	Low	143 Å²	143	139.9 Å²	139.9	62%	0.622	63%	0.626	S	S	*	*			trans	-58	126.6	-175.9	-67.4	178.5	-174.8	168.2	0	112.4	P71 F75	P71-K73 PolarHBondContact O-N 3.11Å; K73-F75 HydrophobicContact CB-CD2 4.36Å; K73-F75 HydrophobicContact CB-CE2 4.17Å; K73-F75 PolarHBondContact O-N 3.35Å
74	P	40.3	Very low	55.5	Low	117 Å²	117	138.1 Å²	138.1	76%	0.76	62%	0.618	S	S	*	*			trans	-77.7	100.6	174.4	30.7	-33	0	0	0	110.5	L76	P74-L76 PolarHBondContact O-N 3.18Å
75	F	34	Very low	55.4	Low	189 Å²	189	135.5 Å²	135.5	83%	0.829	61%	0.612	S	S	*	*			trans	-73.3	113.4	-178.2	-92.9	-86.7	0	0	0	112.8	K73	K73-F75 HydrophobicContact CB-CD2 4.36Å; K73-F75 HydrophobicContact CB-CE2 4.17Å; K73-F75 PolarHBondContact O-N 3.35Å
76	L	33.7	Very low	55.7	Low	162 Å²	162	128.9 Å²	128.9	85%	0.848	58%	0.583	S	S	*	*			trans	-71.2	146.8	172.9	-77	111.5	0	0	0	112.4	P74 R78	P74-L76 PolarHBondContact O-N 3.18Å; L76-R78 PolarHBondContact O-N 2.81Å
77	K	31.5	Very low	55.9	Low	208 Å²	208	125.5 Å²	125.5	90%	0.904	57%	0.572	S	S	*	*			trans	-47.3	117.1	-179	-61.5	168.3	178.1	172	0	113.6
78	R	29.4	Very low	56.1	Low	243 Å²	243	121.2 Å²	121.2	92%	0.917	56%	0.56	S	S	*	*			trans	-156	39.9	156.7	-123.6	172.7	-160.3	-146.7	3.7	120.7	L76	L76-R78 PolarHBondContact O-N 2.81Å
79	R	32.1	Very low	55.9	Low	249 Å²	249	124 Å²	124	94%	0.94	58%	0.58	S	S	*	*	S	Bend	trans	-165.8	148.9	138	-105.9	168.4	-170.1	-156.2	2.1	108.2	Q81	R79-Q81 PolarHBondContact O-N 2.9Å
80	R	30.2	Very low	55.7	Low	236 Å²	236	122.2 Å²	122.2	89%	0.891	57%	0.568	S	S	*	*			trans	-72.9	108.6	179.3	-77.2	179.9	173.4	168.8	-3.3	108.9	I82	R80-I82 VanDerWaalsContact C-N 3.32Å; R80-I82 HydrophobicContact CB-CG1 4.43Å; R80-I82 PolarHBondContact O-N 2.94Å
81	Q	36.3	Very low	55.4	Low	153 Å²	153	125 Å²	125	72%	0.715	58%	0.584	S	S	*	*			trans	-62.7	103.4	149.3	-84.8	173.8	-52.8	0	0	106.5	R79 Y83	R79-Q81 PolarHBondContact O-N 2.9Å; Q81-Y83 PolarHBondContact O-N 3.31Å
82	I	43	Very low	55.2	Low	133 Å²	133	128 Å²	128	68%	0.682	59%	0.594	S	S	*	*			trans	-76.4	102.8	161.9	-63	171.9	0	0	0	104	R80 A84	R80-I82 VanDerWaalsContact C-N 3.32Å; R80-I82 HydrophobicContact CB-CG1 4.43Å; R80-I82 PolarHBondContact O-N 2.94Å; I82-A84 PolarHBondContact O-N 2.85Å
83	Y	48.6	Very low	55.8	Low	118 Å²	118	123.9 Å²	123.9	46%	0.463	59%	0.585	S	S	.	*			trans	-54.3	127.2	167.3	-66.9	-87.9	0	0	0	107.8	Q81 I85 F123	Q81-Y83 PolarHBondContact O-N 3.31Å; Y83-I85 PolarHBondContact O-N 2.83Å; Y83-F123 HydrophobicContact CD1-CE1 4.3Å; Y83-F123 HydrophobicContact CD2-CE1 4.38Å; Y83-F123 AromaticContact CG-CE1 3.89Å; Y83-F123 HydrophobicContact CG-CE1 3.89Å
84	A	55.1	Low	56.7	Low	4 Å²	4	122.1 Å²	122.1	3%	0.033	58%	0.582	C	S	.	*			trans	-70.3	100.5	178.6	0	0	0	0	0	109.9	I82 D95 C96	I82-A84 PolarHBondContact O-N 2.85Å; A84-D95 WeakPolarHBondContact CB-O 3.48Å; A84-C96 VanDerWaalsContact CB-CA 3.41Å; A84-C96 HydrophobicContact CB-CB 4.37Å
85	I	70.1	Confident	58.3	Low	78 Å²	78	120.1 Å²	120.1	40%	0.4	57%	0.565	S	S	.	*			trans	-68.2	132.6	177.2	-55.3	171.3	0	0	0	108	Y83 G87 N88 G122	Y83-I85 PolarHBondContact O-N 2.83Å; I85-G87 PolarHBondContact O-N 2.92Å; I85-N88 PolarHBondContact N-ND2 2.87Å; I85-N88 WeakPolarHBondContact O-CB 3.27Å; I85-N88 PolarHBondContact O-N 3.25Å; I85-G122 CarbonylContact C-O 3.51Å; I85-G122 WeakPolarHBondContact CA-O 3.27Å
86	V	74.7	Confident	60.2	Low	34 Å²	34	111.1 Å²	111.1	21%	0.206	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	125.6	175.1	178.9	0	0	0	0	109.4	C111 C113 N119 G122 C124	V86-C111 CarbonylContact C-O 3.56Å; V86-C111 WeakPolarHBondContact CA-O 3.04Å; V86-C111 WeakPolarHBondContact CG1-O 3.4Å; V86-C113 VanDerWaalsContact CG2-SG 3.54Å; V86-N119 HydrophobicContact CG1-CB 4.48Å; V86-N119 WeakPolarHBondContact CG1-ND2 3.17Å; V86-N119 HydrophobicContact CG2-CB 4.44Å; V86-G122 WeakPolarHBondContact CG2-O 3.13Å; V86-G122 PolarHBondContact N-O 3.01Å; V86-C124 WeakPolarHBondContact CG2-SG 3.33Å
87	G	79.8	Confident	61.7	Low	29 Å²	29	109.7 Å²	109.7	30%	0.299	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	-13.4	-172.1	0	0	0	0	0	115.4	I85 R110 C111	I85-G87 PolarHBondContact O-N 2.92Å; G87-R110 PolarHBondContact O-NH1 3.18Å; G87-C111 PolarHBondContact N-O 2.92Å
88	N	83.8	Confident	63.2	Low	63 Å²	63	100.7 Å²	100.7	34%	0.337	48%	0.477	S	S	.	.			trans	-59.8	144.4	170.7	-80.9	-6.7	0	0	0	111	I85 R110 C111	I85-N88 PolarHBondContact N-ND2 2.87Å; I85-N88 WeakPolarHBondContact O-CB 3.27Å; I85-N88 PolarHBondContact O-N 3.25Å; N88-R110 CarbonylContact O-C 3.55Å; N88-R110 WeakPolarHBondContact O-CA 3.32Å; N88-C111 PolarHBondContact O-N 3.26Å
89	S	81.7	Confident	64.4	Low	99 Å²	99	94 Å²	94	69%	0.692	46%	0.463	S	S	*	.	B	Isolated β-bridge	trans	-66.2	139.6	174.1	-52.3	0	0	0	0	111.9	K109	S89-K109 CarbonylContact C-O 3.51Å; S89-K109 VanDerWaalsContact CA-O 3.28Å; S89-K109 WeakPolarHBondContact CA-O 3.36Å
90	C	84.3	Confident	65.7	Low	4 Å²	4	87.1 Å²	87.1	3%	0.027	45%	0.445	C	S	.	.			trans	-140.6	154.3	-179.3	60.4	0	0	0	0	111.3	D95 C96 C105 K109 R110	C90-D95 HydrophobicContact CB-CB 3.8Å; C90-C96 WeakPolarHBondContact CB-SG 3.2Å; C90-C96 VanDerWaalsContact SG-SG 3.67Å; C90-C105 VanDerWaalsContact C-SG 3.52Å; C90-C105 HydrophobicContact CB-CB 3.8Å; C90-C105 WeakPolarHBondContact CB-SG 3.39Å; C90-C105 PolarHBondContact O-SG 3.41Å; C90-C105 WeakPolarHBondContact SG-CA 3.45Å; C90-C105 WeakPolarHBondContact SG-CB 3.43Å; C90-C105 CovalentContact SG-SG 2.03Å; C90-C105 PolarHBondContact SG-SG 3.22Å; C90-K109 PolarHBondContact N-O 3.22Å; C90-K109 WeakPolarHBondContact O-CB 3.48Å; C90-K109 WeakPolarHBondContact O-CD 3.34Å; C90-R110 VanDerWaalsContact SG-CA 3.57Å; C90-R110 PolarHBondContact SG-N 2.87Å; C90-R110 VanDerWaalsContact SG-N 3.4Å; C90-R110 PolarHBondContact SG-O 2.95Å
91	N	77.6	Confident	67.2	Low	119 Å²	119	78.1 Å²	78.1	64%	0.636	43%	0.425	S	S	*	.	S	Bend	trans	-103.6	-39.4	171.7	-60.9	-72	0	0	0	111.1	D95 K109	N91-D95 WeakPolarHBondContact CA-OD2 3.42Å; N91-D95 WeakPolarHBondContact CB-OD2 3.34Å; N91-D95 PolarHBondContact N-OD2 3.18Å; N91-K109 PolarHBondContact O-NZ 2.04Å
92	E	76.5	Confident	69	Low	121 Å²	121	70.8 Å²	70.8	57%	0.565	39%	0.391	S	S	*	.	S	Bend	trans	-138.9	165	-177.8	-62.8	-170.4	-159.5	0	0	111.1	I94 D95 C105	E92-I94 HydrophobicContact CB-CG2 4.1Å; E92-I94 PolarHBondContact O-N 3Å; E92-I94 VanDerWaalsContact O-N 3.07Å; E92-D95 PolarHBondContact N-OD2 3.01Å; E92-D95 WeakPolarHBondContact O-CB 3.42Å; E92-D95 PolarHBondContact O-N 3.42Å; E92-C105 WeakPolarHBondContact O-CB 3.32Å
93	N	74.9	Confident	70.7	Confident	99 Å²	99	65 Å²	65	53%	0.529	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-58.7	-23.7	179.8	-73.3	-6.5	0	0	0	113.6	D95 C96 C105	N93-D95 VanDerWaalsContact C-N 3.3Å; N93-D95 PolarHBondContact O-N 3.32Å; N93-C96 PolarHBondContact O-N 3.24Å; N93-C96 VanDerWaalsContact O-N 3.1Å; N93-C105 WeakPolarHBondContact OD1-CB 3.18Å; N93-C105 PolarHBondContact OD1-N 2.69Å; N93-C105 PolarHBondContact OD1-O 2.86Å
94	I	72.4	Confident	72.5	Confident	107 Å²	107	63.2 Å²	63.2	55%	0.549	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-65.9	-31.3	176.7	-166	166.1	0	0	0	112.7	E92 C96 Q97	E92-I94 HydrophobicContact CB-CG2 4.1Å; E92-I94 PolarHBondContact O-N 3Å; E92-I94 VanDerWaalsContact O-N 3.07Å; I94-C96 PolarHBondContact O-N 3.07Å; I94-Q97 HydrophobicContact CG1-CG 4.49Å; I94-Q97 WeakPolarHBondContact O-CG 3.11Å; I94-Q97 PolarHBondContact O-N 3.32Å
95	D	74.5	Confident	73.9	Confident	75 Å²	75	63.7 Å²	63.7	40%	0.401	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-67.2	-16.9	174.4	-57.4	-47.9	0	0	0	111.9	A84 C90 N91 E92 N93	A84-D95 WeakPolarHBondContact CB-O 3.48Å; C90-D95 HydrophobicContact CB-CB 3.8Å; N91-D95 WeakPolarHBondContact CA-OD2 3.42Å; N91-D95 WeakPolarHBondContact CB-OD2 3.34Å; N91-D95 PolarHBondContact N-OD2 3.18Å; E92-D95 PolarHBondContact N-OD2 3.01Å; E92-D95 WeakPolarHBondContact O-CB 3.42Å; E92-D95 PolarHBondContact O-N 3.42Å; N93-D95 VanDerWaalsContact C-N 3.3Å; N93-D95 PolarHBondContact O-N 3.32Å
96	C	75	Confident	74.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-102.4	15.6	-179.2	-58	0	0	0	0	114	A84 C90 N93 I94 T98 A103 Y104 C111	A84-C96 VanDerWaalsContact CB-CA 3.41Å; A84-C96 HydrophobicContact CB-CB 4.37Å; C90-C96 WeakPolarHBondContact CB-SG 3.2Å; C90-C96 VanDerWaalsContact SG-SG 3.67Å; N93-C96 PolarHBondContact O-N 3.24Å; N93-C96 VanDerWaalsContact O-N 3.1Å; I94-C96 PolarHBondContact O-N 3.07Å; C96-T98 PolarHBondContact O-N 3.38Å; C96-T98 VanDerWaalsContact O-N 3.08Å; C96-A103 HydrophobicContact CB-CB 4.39Å; C96-A103 WeakPolarHBondContact O-CB 3.23Å; C96-Y104 VanDerWaalsContact SG-C 3.57Å; C96-Y104 PolarHBondContact SG-O 3.17Å; C96-C111 WeakPolarHBondContact CA-SG 3.17Å; C96-C111 HydrophobicContact CB-CB 3.81Å; C96-C111 WeakPolarHBondContact CB-SG 3.04Å; C96-C111 WeakPolarHBondContact SG-CA 3.35Å; C96-C111 WeakPolarHBondContact SG-CB 3.35Å; C96-C111 CovalentContact SG-SG 2.05Å; C96-C111 PolarHBondContact SG-SG 3.44Å
97	Q	63.3	Low	74.6	Confident	132 Å²	132	67 Å²	67	62%	0.617	38%	0.382	S	S	*	.			trans	-63.2	112.2	-178.3	-81.7	-175.4	-9.1	0	0	113.5	I94	I94-Q97 HydrophobicContact CG1-CG 4.49Å; I94-Q97 WeakPolarHBondContact O-CG 3.11Å; I94-Q97 PolarHBondContact O-N 3.32Å
98	T	64	Low	74.8	Confident	19 Å²	19	69.9 Å²	69.9	12%	0.117	39%	0.394	C	S	.	.			trans	-94.6	157.3	155.4	58.4	0	0	0	0	109.9	C96 D100 G101 G102 A103	C96-T98 PolarHBondContact O-N 3.38Å; C96-T98 VanDerWaalsContact O-N 3.08Å; T98-D100 PolarHBondContact O-N 3.1Å; T98-G101 PolarHBondContact O-N 3.19Å; T98-G101 VanDerWaalsContact O-N 3.1Å; T98-G102 PolarHBondContact OG1-N 2.88Å; T98-A103 HydrophobicContact CG2-CB 4.02Å
99	T	55.4	Low	74.7	Confident	102 Å²	102	72.2 Å²	72.2	63%	0.626	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.5	176.9	42.5	0	0	0	0	114.3
100	D	59	Low	74.9	Confident	104 Å²	104	73.5 Å²	73.5	56%	0.556	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	4.2	-170.9	-60.9	35	0	0	0	112.2	T98 G102 F117	T98-D100 PolarHBondContact O-N 3.1Å; D100-G102 PolarHBondContact O-N 3.26Å; D100-F117 HydrophobicContact CB-CE1 4.06Å; D100-F117 HydrophobicContact CB-CZ 4.41Å
101	G	61.3	Low	75	Confident	47 Å²	47	73.4 Å²	73.4	49%	0.485	39%	0.39	S	S	.	.	S	Bend	trans	65.5	11	-174.4	0	0	0	0	0	115.2	T98 A103 L114	T98-G101 PolarHBondContact O-N 3.19Å; T98-G101 VanDerWaalsContact O-N 3.1Å; G101-A103 VanDerWaalsContact C-N 3.28Å; G101-A103 PolarHBondContact O-N 2.91Å; G101-L114 WeakPolarHBondContact O-CD1 3.4Å
102	G	72.9	Confident	75.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.367	C	S	.	.			trans	-73.9	-2.7	-169.1	0	0	0	0	0	117.3	T98 D100 C113 L114 F117 C124	T98-G102 PolarHBondContact OG1-N 2.88Å; D100-G102 PolarHBondContact O-N 3.26Å; G102-C113 WeakPolarHBondContact O-CA 3.41Å; G102-L114 PolarHBondContact O-N 3.21Å; G102-F117 VanDerWaalsContact CA-CE1 3.44Å; G102-F117 VanDerWaalsContact CA-CZ 3.44Å; G102-C124 WeakPolarHBondContact O-CB 3.23Å
103	A	80.1	Confident	75.6	Confident	10 Å²	10	64.1 Å²	64.1	8%	0.083	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.2	-179.3	0	0	0	0	0	112.6	C96 T98 G101 A112	C96-A103 HydrophobicContact CB-CB 4.39Å; C96-A103 WeakPolarHBondContact O-CB 3.23Å; T98-A103 HydrophobicContact CG2-CB 4.02Å; G101-A103 VanDerWaalsContact C-N 3.28Å; G101-A103 PolarHBondContact O-N 2.91Å; A103-A112 CarbonylContact C-O 3.53Å; A103-A112 WeakPolarHBondContact CA-O 3.42Å
104	Y	85	Confident	75.7	Confident	81 Å²	81	62.2 Å²	62.2	32%	0.318	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.5	-179.3	75.7	-77.6	0	0	0	110.6	C96 D106 C111 A112 C113 L114	C96-Y104 VanDerWaalsContact SG-C 3.57Å; C96-Y104 PolarHBondContact SG-O 3.17Å; Y104-D106 HydrophobicContact CE2-CB 3.99Å; Y104-C111 CarbonylContact O-C 3.44Å; Y104-C111 WeakPolarHBondContact O-CA 3.4Å; Y104-A112 HydrophobicContact CD1-CB 4.36Å; Y104-A112 WeakPolarHBondContact CD1-O 3.08Å; Y104-A112 HydrophobicContact CE1-CB 3.77Å; Y104-A112 PolarHBondContact N-O 3.21Å; Y104-A112 PolarHBondContact O-N 2.98Å; Y104-C113 WeakPolarHBondContact CE1-O 3.42Å; Y104-L114 HydrophobicContact CD1-CD2 3.75Å; Y104-L114 HydrophobicContact CD1-CG 4.34Å; Y104-L114 HydrophobicContact CE1-CD2 4.48Å; Y104-L114 HydrophobicContact CG-CD2 4.2Å
105	C	85.1	Confident	75.9	Confident	15 Å²	15	62 Å²	62	10%	0.101	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.8	176	-173	0	0	0	0	110.1	C90 E92 N93	C90-C105 VanDerWaalsContact C-SG 3.52Å; C90-C105 HydrophobicContact CB-CB 3.8Å; C90-C105 WeakPolarHBondContact CB-SG 3.39Å; C90-C105 PolarHBondContact O-SG 3.41Å; C90-C105 WeakPolarHBondContact SG-CA 3.45Å; C90-C105 WeakPolarHBondContact SG-CB 3.43Å; C90-C105 CovalentContact SG-SG 2.03Å; C90-C105 PolarHBondContact SG-SG 3.22Å; E92-C105 WeakPolarHBondContact O-CB 3.32Å; N93-C105 WeakPolarHBondContact OD1-CB 3.18Å; N93-C105 PolarHBondContact OD1-N 2.69Å; N93-C105 PolarHBondContact OD1-O 2.86Å
106	D	82.1	Confident	75.8	Confident	33 Å²	33	61.2 Å²	61.2	18%	0.176	34%	0.344	C	S	.	.			trans	-80	176	-176.4	75.7	19.5	0	0	0	113.6	Y104 T108 K109 R110 A112	Y104-D106 HydrophobicContact CE2-CB 3.99Å; D106-T108 PolarHBondContact O-N 2.9Å; D106-T108 WeakPolarHBondContact OD1-CA 3.26Å; D106-T108 VanDerWaalsContact OD1-CB 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.19Å; D106-T108 PolarHBondContact OD1-N 3.26Å; D106-T108 PolarHBondContact OD1-OG1 2.94Å; D106-T108 PolarHBondContact OD2-OG1 3.27Å; D106-K109 PolarHBondContact O-N 2.82Å; D106-K109 VanDerWaalsContact O-N 3.11Å; D106-K109 PolarHBondContact OD1-N 2.95Å; D106-K109 VanDerWaalsContact OD1-N 3.15Å; D106-R110 PolarHBondContact N-O 3.03Å; D106-R110 PolarHBondContact OD1-N 2.03Å; D106-A112 HydrophobicContact CB-CB 4.15Å
107	T	78.5	Confident	76.3	Confident	147 Å²	147	62 Å²	62	90%	0.902	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.5	178.4	50.5	0	0	0	0	113.7	K109	T107-K109 VanDerWaalsContact C-N 3.26Å
108	T	83	Confident	77.3	Confident	90 Å²	90	57 Å²	57	55%	0.552	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	2	174.8	82.9	0	0	0	0	112.9	D106 R110	D106-T108 PolarHBondContact O-N 2.9Å; D106-T108 WeakPolarHBondContact OD1-CA 3.26Å; D106-T108 VanDerWaalsContact OD1-CB 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.19Å; D106-T108 PolarHBondContact OD1-N 3.26Å; D106-T108 PolarHBondContact OD1-OG1 2.94Å; D106-T108 PolarHBondContact OD2-OG1 3.27Å; T108-R110 VanDerWaalsContact C-N 3.35Å
109	K	82.8	Confident	78.3	Confident	113 Å²	113	59.9 Å²	59.9	49%	0.491	34%	0.341	S	S	.	.	S	Bend	trans	62.5	39	-171.9	-66.2	-72.7	172.2	-160.9	0	112.4	S89 C90 N91 D106 T107	S89-K109 CarbonylContact C-O 3.51Å; S89-K109 VanDerWaalsContact CA-O 3.28Å; S89-K109 WeakPolarHBondContact CA-O 3.36Å; C90-K109 PolarHBondContact N-O 3.22Å; C90-K109 WeakPolarHBondContact O-CB 3.48Å; C90-K109 WeakPolarHBondContact O-CD 3.34Å; N91-K109 PolarHBondContact O-NZ 2.04Å; D106-K109 PolarHBondContact O-N 2.82Å; D106-K109 VanDerWaalsContact O-N 3.11Å; D106-K109 PolarHBondContact OD1-N 2.95Å; D106-K109 VanDerWaalsContact OD1-N 3.15Å; T107-K109 VanDerWaalsContact C-N 3.26Å
110	R	84.2	Confident	79.7	Confident	126 Å²	126	55.3 Å²	55.3	48%	0.475	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-125.7	152	171.8	-64.8	-177.5	-178.1	-88.9	1.1	112.7	G87 N88 C90 D106 T108	G87-R110 PolarHBondContact O-NH1 3.18Å; N88-R110 CarbonylContact O-C 3.55Å; N88-R110 WeakPolarHBondContact O-CA 3.32Å; C90-R110 VanDerWaalsContact SG-CA 3.57Å; C90-R110 PolarHBondContact SG-N 2.87Å; C90-R110 VanDerWaalsContact SG-N 3.4Å; C90-R110 PolarHBondContact SG-O 2.95Å; D106-R110 PolarHBondContact N-O 3.03Å; D106-R110 PolarHBondContact OD1-N 2.03Å; T108-R110 VanDerWaalsContact C-N 3.35Å
111	C	86.1	Confident	81	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.7	174.6	-64	0	0	0	0	111.2	V86 G87 N88 C96 Y104	V86-C111 CarbonylContact C-O 3.56Å; V86-C111 WeakPolarHBondContact CA-O 3.04Å; V86-C111 WeakPolarHBondContact CG1-O 3.4Å; G87-C111 PolarHBondContact N-O 2.92Å; N88-C111 PolarHBondContact O-N 3.26Å; C96-C111 WeakPolarHBondContact CA-SG 3.17Å; C96-C111 HydrophobicContact CB-CB 3.81Å; C96-C111 WeakPolarHBondContact CB-SG 3.04Å; C96-C111 WeakPolarHBondContact SG-CA 3.35Å; C96-C111 WeakPolarHBondContact SG-CB 3.35Å; C96-C111 CovalentContact SG-SG 2.05Å; C96-C111 PolarHBondContact SG-SG 3.44Å; Y104-C111 CarbonylContact O-C 3.44Å; Y104-C111 WeakPolarHBondContact O-CA 3.4Å
112	A	84.3	Confident	81.7	Confident	18 Å²	18	55.5 Å²	55.5	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156	-179.6	0	0	0	0	0	111	A103 Y104 D106	A103-A112 CarbonylContact C-O 3.53Å; A103-A112 WeakPolarHBondContact CA-O 3.42Å; Y104-A112 HydrophobicContact CD1-CB 4.36Å; Y104-A112 WeakPolarHBondContact CD1-O 3.08Å; Y104-A112 HydrophobicContact CE1-CB 3.77Å; Y104-A112 PolarHBondContact N-O 3.21Å; Y104-A112 PolarHBondContact O-N 2.98Å; D106-A112 HydrophobicContact CB-CB 4.15Å
113	C	82.9	Confident	82	Confident	26 Å²	26	59 Å²	59	18%	0.176	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	143.3	177.8	-59.4	0	0	0	0	112.6	V86 G102 Y104 F117 C124	V86-C113 VanDerWaalsContact CG2-SG 3.54Å; G102-C113 WeakPolarHBondContact O-CA 3.41Å; Y104-C113 WeakPolarHBondContact CE1-O 3.42Å; C113-F117 HydrophobicContact CB-CB 4.15Å; C113-C124 WeakPolarHBondContact CA-SG 3.48Å; C113-C124 HydrophobicContact CB-CB 3.83Å; C113-C124 WeakPolarHBondContact CB-SG 3.44Å; C113-C124 WeakPolarHBondContact SG-CA 3.41Å; C113-C124 WeakPolarHBondContact SG-CB 3.03Å; C113-C124 CovalentContact SG-SG 2.04Å; C113-C124 PolarHBondContact SG-SG 2.91Å
114	L	78.3	Confident	82	Confident	59 Å²	59	59 Å²	59	31%	0.309	31%	0.314	S	S	.	.			trans	-62.2	154.1	170.3	-68.6	177.4	0	0	0	111.5	G101 G102 Y104 S116 F117	G101-L114 WeakPolarHBondContact O-CD1 3.4Å; G102-L114 PolarHBondContact O-N 3.21Å; Y104-L114 HydrophobicContact CD1-CD2 3.75Å; Y104-L114 HydrophobicContact CD1-CG 4.34Å; Y104-L114 HydrophobicContact CE1-CD2 4.48Å; Y104-L114 HydrophobicContact CG-CD2 4.2Å; L114-S116 PolarHBondContact O-N 2.9Å; L114-F117 HydrophobicContact CB-CD2 3.94Å; L114-F117 HydrophobicContact CD1-CE2 4.46Å; L114-F117 WeakPolarHBondContact O-CA 3.41Å; L114-F117 WeakPolarHBondContact O-CB 3.38Å; L114-F117 PolarHBondContact O-N 3.21Å
115	P	75.3	Confident	82	Confident	102 Å²	102	58.3 Å²	58.3	66%	0.662	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.5	-175.6	-27.2	36	0	0	0	116.2	F117 K127	P115-F117 VanDerWaalsContact C-N 3.29Å; P115-K127 VanDerWaalsContact O-CE 3.3Å; P115-K127 WeakPolarHBondContact O-CE 3.1Å; P115-K127 PolarHBondContact O-NZ 2.64Å
116	S	72.8	Confident	81.9	Confident	60 Å²	60	65 Å²	65	42%	0.42	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3	174.7	49.3	0	0	0	0	114	L114 K127	L114-S116 PolarHBondContact O-N 2.9Å; S116-K127 WeakPolarHBondContact O-CG 3.37Å; S116-K127 PolarHBondContact O-N 2.03Å
117	F	85.4	Confident	82.2	Confident	16 Å²	16	66.5 Å²	66.5	7%	0.07	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161.3	178	-68.6	-108.7	0	0	0	110.5	D100 G102 C113 L114 P115 C124 Y125 R126 K127	D100-F117 HydrophobicContact CB-CE1 4.06Å; D100-F117 HydrophobicContact CB-CZ 4.41Å; G102-F117 VanDerWaalsContact CA-CE1 3.44Å; G102-F117 VanDerWaalsContact CA-CZ 3.44Å; C113-F117 HydrophobicContact CB-CB 4.15Å; L114-F117 HydrophobicContact CB-CD2 3.94Å; L114-F117 HydrophobicContact CD1-CE2 4.46Å; L114-F117 WeakPolarHBondContact O-CA 3.41Å; L114-F117 WeakPolarHBondContact O-CB 3.38Å; L114-F117 PolarHBondContact O-N 3.21Å; P115-F117 VanDerWaalsContact C-N 3.29Å; F117-C124 HydrophobicContact CB-CB 4.1Å; F117-C124 HydrophobicContact CD1-CB 4.15Å; F117-C124 WeakPolarHBondContact CD1-O 3.48Å; F117-C124 HydrophobicContact CG-CB 4.44Å; F117-Y125 CarbonylContact C-O 3.59Å; F117-Y125 WeakPolarHBondContact CA-O 3.48Å; F117-Y125 WeakPolarHBondContact CB-O 3.05Å; F117-Y125 VanDerWaalsContact CD1-C 3.41Å; F117-R126 HydrophobicContact CD1-CB 4.2Å; F117-R126 VanDerWaalsContact CD1-N 3.34Å; F117-R126 HydrophobicContact CE1-CB 4Å; F117-R126 HydrophobicContact CZ-CB 4.44Å; F117-K127 VanDerWaalsContact O-CE 3.25Å; F117-K127 WeakPolarHBondContact O-CE 3.37Å
118	V	83.6	Confident	82.5	Confident	26 Å²	26	60.2 Å²	60.2	16%	0.158	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.7	175.2	54.6	0	0	0	0	109	I120 C124 Y125 K127 E139 Q140	V118-I120 HydrophobicContact CG1-CD1 3.88Å; V118-I120 HydrophobicContact CG1-CG1 3.98Å; V118-I120 HydrophobicContact CG2-CG1 4.26Å; V118-I120 PolarHBondContact O-N 2.79Å; V118-C124 WeakPolarHBondContact O-CA 3.37Å; V118-Y125 PolarHBondContact N-O 2.85Å; V118-Y125 PolarHBondContact O-N 3.45Å; V118-K127 HydrophobicContact CB-CG 4.35Å; V118-K127 HydrophobicContact CG1-CG 4.39Å; V118-E139 HydrophobicContact CG2-CB 4.37Å; V118-Q140 HydrophobicContact CG1-CG 4.16Å
119	N	87	Confident	82.6	Confident	81 Å²	81	57.8 Å²	57.8	43%	0.433	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	119.5	173	177.9	5.5	0	0	0	109.1	V86 G122 F123	V86-N119 HydrophobicContact CG1-CB 4.48Å; V86-N119 WeakPolarHBondContact CG1-ND2 3.17Å; V86-N119 HydrophobicContact CG2-CB 4.44Å; N119-G122 WeakPolarHBondContact OD1-CA 3.47Å; N119-G122 PolarHBondContact OD1-N 2.95Å; N119-F123 WeakPolarHBondContact CA-O 3.44Å
120	I	84.7	Confident	82.6	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.6	173.3	-39.8	-179.7	0	0	0	107.4	V118 G122 F123 Y125 Y137 E139 Q140	V118-I120 HydrophobicContact CG1-CD1 3.88Å; V118-I120 HydrophobicContact CG1-CG1 3.98Å; V118-I120 HydrophobicContact CG2-CG1 4.26Å; V118-I120 PolarHBondContact O-N 2.79Å; I120-G122 PolarHBondContact O-N 2.83Å; I120-F123 PolarHBondContact N-O 3.37Å; I120-F123 PolarHBondContact O-N 3.37Å; I120-Y125 HydrophobicContact CB-CD2 3.64Å; I120-Y125 HydrophobicContact CB-CE2 3.92Å; I120-Y125 HydrophobicContact CD1-CD2 3.86Å; I120-Y125 HydrophobicContact CD1-CG 4Å; I120-Y125 HydrophobicContact CG1-CD2 3.81Å; I120-Y125 HydrophobicContact CG1-CG 4.38Å; I120-Y137 HydrophobicContact CD1-CD2 4.13Å; I120-Y137 HydrophobicContact CD1-CG 3.93Å; I120-Y137 HydrophobicContact CG2-CD1 3.83Å; I120-Y137 HydrophobicContact CG2-CD2 4.47Å; I120-Y137 HydrophobicContact CG2-CE1 4.26Å; I120-Y137 HydrophobicContact CG2-CG 3.95Å; I120-E139 HydrophobicContact CD1-CB 3.88Å; I120-E139 HydrophobicContact CG1-CB 4.19Å; I120-Q140 HydrophobicContact CD1-CG 3.73Å
121	H	84.4	Confident	82.4	Confident	144 Å²	144	47.4 Å²	47.4	67%	0.667	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	27.7	-175.8	-53.8	-58	0	0	0	115.5	F123 Y137	H121-F123 WeakPolarHBondContact O-CD2 3.23Å; H121-Y137 AromaticContact CD2-CE1 3.76Å; H121-Y137 AromaticContact NE2-CE1 3.75Å
122	G	76.1	Confident	82.2	Confident	11 Å²	11	50.5 Å²	50.5	11%	0.113	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	5.9	-178.8	0	0	0	0	0	114.8	I85 V86 N119 I120	I85-G122 CarbonylContact C-O 3.51Å; I85-G122 WeakPolarHBondContact CA-O 3.27Å; V86-G122 WeakPolarHBondContact CG2-O 3.13Å; V86-G122 PolarHBondContact N-O 3.01Å; N119-G122 WeakPolarHBondContact OD1-CA 3.47Å; N119-G122 PolarHBondContact OD1-N 2.95Å; I120-G122 PolarHBondContact O-N 2.83Å
123	F	79.8	Confident	82.3	Confident	74 Å²	74	54.2 Å²	54.2	33%	0.325	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150.1	174.6	-57.7	-98.9	0	0	0	110.2	Y83 N119 I120 H121 Y125	Y83-F123 HydrophobicContact CD1-CE1 4.3Å; Y83-F123 HydrophobicContact CD2-CE1 4.38Å; Y83-F123 AromaticContact CG-CE1 3.89Å; Y83-F123 HydrophobicContact CG-CE1 3.89Å; N119-F123 WeakPolarHBondContact CA-O 3.44Å; I120-F123 PolarHBondContact N-O 3.37Å; I120-F123 PolarHBondContact O-N 3.37Å; H121-F123 WeakPolarHBondContact O-CD2 3.23Å; F123-Y125 HydrophobicContact CB-CD2 4.32Å; F123-Y125 HydrophobicContact CB-CE2 3.78Å
124	C	79.8	Confident	82.2	Confident	10 Å²	10	55.2 Å²	55.2	7%	0.068	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.5	178.9	-59.7	0	0	0	0	110.7	V86 G102 C113 F117 V118	V86-C124 WeakPolarHBondContact CG2-SG 3.33Å; G102-C124 WeakPolarHBondContact O-CB 3.23Å; C113-C124 WeakPolarHBondContact CA-SG 3.48Å; C113-C124 HydrophobicContact CB-CB 3.83Å; C113-C124 WeakPolarHBondContact CB-SG 3.44Å; C113-C124 WeakPolarHBondContact SG-CA 3.41Å; C113-C124 WeakPolarHBondContact SG-CB 3.03Å; C113-C124 CovalentContact SG-SG 2.04Å; C113-C124 PolarHBondContact SG-SG 2.91Å; F117-C124 HydrophobicContact CB-CB 4.1Å; F117-C124 HydrophobicContact CD1-CB 4.15Å; F117-C124 WeakPolarHBondContact CD1-O 3.48Å; F117-C124 HydrophobicContact CG-CB 4.44Å; V118-C124 WeakPolarHBondContact O-CA 3.37Å
125	Y	84.7	Confident	82.7	Confident	66 Å²	66	52.4 Å²	52.4	26%	0.259	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.9	174.4	-70.6	-95.9	0	0	0	110.3	F117 V118 I120 F123 K127 Y137	F117-Y125 CarbonylContact C-O 3.59Å; F117-Y125 WeakPolarHBondContact CA-O 3.48Å; F117-Y125 WeakPolarHBondContact CB-O 3.05Å; F117-Y125 VanDerWaalsContact CD1-C 3.41Å; V118-Y125 PolarHBondContact N-O 2.85Å; V118-Y125 PolarHBondContact O-N 3.45Å; I120-Y125 HydrophobicContact CB-CD2 3.64Å; I120-Y125 HydrophobicContact CB-CE2 3.92Å; I120-Y125 HydrophobicContact CD1-CD2 3.86Å; I120-Y125 HydrophobicContact CD1-CG 4Å; I120-Y125 HydrophobicContact CG1-CD2 3.81Å; I120-Y125 HydrophobicContact CG1-CG 4.38Å; F123-Y125 HydrophobicContact CB-CD2 4.32Å; F123-Y125 HydrophobicContact CB-CE2 3.78Å; Y125-K127 PolarHBondContact O-N 2.86Å; Y125-Y137 HydrophobicContact CD1-CD2 4.2Å; Y125-Y137 HydrophobicContact CD1-CE2 4.34Å; Y125-Y137 AromaticContact CE1-CD2 3.97Å; Y125-Y137 HydrophobicContact CE1-CD2 3.97Å; Y125-Y137 AromaticContact CE1-CE2 3.65Å; Y125-Y137 HydrophobicContact CE1-CE2 3.65Å; Y125-Y137 HydrophobicContact CE2-CD2 4.38Å; Y125-Y137 HydrophobicContact CE2-CE2 4.07Å; Y125-Y137 AromaticContact CZ-CE2 3.49Å; Y125-Y137 VanDerWaalsContact CZ-CE2 3.49Å
126	R	84.5	Confident	83.4	Confident	157 Å²	157	51.3 Å²	51.3	59%	0.592	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.5	175.7	179.5	179.5	-76.9	-171.3	-2.9	109.9	F117 I128 Q140	F117-R126 HydrophobicContact CD1-CB 4.2Å; F117-R126 VanDerWaalsContact CD1-N 3.34Å; F117-R126 HydrophobicContact CE1-CB 4Å; F117-R126 HydrophobicContact CZ-CB 4.44Å; R126-I128 HydrophobicContact CG-CD1 4.33Å; R126-Q140 PolarHBondContact O-NE2 3.29Å
127	K	87	Confident	84.2	Confident	63 Å²	63	51.8 Å²	51.8	27%	0.274	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-68	135.5	170.5	-61.9	-176.9	177.4	170.7	0	109.9	P115 S116 F117 V118 Y125 S143 V144	P115-K127 VanDerWaalsContact O-CE 3.3Å; P115-K127 WeakPolarHBondContact O-CE 3.1Å; P115-K127 PolarHBondContact O-NZ 2.64Å; S116-K127 WeakPolarHBondContact O-CG 3.37Å; S116-K127 PolarHBondContact O-N 2.03Å; F117-K127 VanDerWaalsContact O-CE 3.25Å; F117-K127 WeakPolarHBondContact O-CE 3.37Å; V118-K127 HydrophobicContact CB-CG 4.35Å; V118-K127 HydrophobicContact CG1-CG 4.39Å; Y125-K127 PolarHBondContact O-N 2.86Å; K127-S143 WeakPolarHBondContact CG-OG 3.33Å; K127-V144 HydrophobicContact CB-CG2 3.75Å
128	I	86.8	Confident	84.3	Confident	15 Å²	15	54.2 Å²	54.2	8%	0.077	29%	0.293	C	S	.	.			trans	-119.2	127.6	-173.8	-56.2	-62.1	0	0	0	108.2	R126 Q132 C135 Q140 V144 C155	R126-I128 HydrophobicContact CG-CD1 4.33Å; I128-Q132 HydrophobicContact CG2-CB 3.7Å; I128-C135 HydrophobicContact CB-CB 4.42Å; I128-C135 HydrophobicContact CG1-CB 4.32Å; I128-Q140 HydrophobicContact CB-CB 4.43Å; I128-Q140 HydrophobicContact CG1-CB 4.14Å; I128-Q140 PolarHBondContact N-O 2.91Å; I128-V144 WeakPolarHBondContact O-CG2 3.23Å; I128-C155 HydrophobicContact CG2-CB 4.37Å; I128-C155 VanDerWaalsContact CG2-SG 3.55Å; I128-C155 PolarHBondContact O-SG 2.82Å
129	N	83.4	Confident	84.5	Confident	40 Å²	40	57 Å²	57	21%	0.214	30%	0.304	C	S	.	.			trans	-70.7	152.3	-178.3	-61.7	-87.5	0	0	0	110.9	G131 Q132 C155	N129-G131 PolarHBondContact O-N 2.85Å; N129-Q132 HydrophobicContact CB-CG 4.08Å; N129-Q132 PolarHBondContact ND2-OE1 3.47Å; N129-Q132 WeakPolarHBondContact O-CB 3Å; N129-Q132 PolarHBondContact O-N 3.24Å; N129-C155 WeakPolarHBondContact O-CB 3.48Å
130	P	83.1	Confident	84.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	141.3	164.6	-26.4	34.5	0	0	0	112.1	Q132 W145 A148 C155 C157 P163 T170	P130-Q132 PolarHBondContact O-N 3.44Å; P130-W145 HydrophobicContact CG-CB 3.82Å; P130-A148 HydrophobicContact CG-CB 4.22Å; P130-C155 CarbonylContact C-O 3.56Å; P130-C157 VanDerWaalsContact CB-SG 3.54Å; P130-P163 HydrophobicContact CB-CB 3.95Å; P130-T170 HydrophobicContact CB-CG2 4.33Å; P130-T170 WeakPolarHBondContact O-CG2 3.24Å
131	G	80.1	Confident	84.9	Confident	20 Å²	20	53.1 Å²	53.1	21%	0.206	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	4.4	-174.6	0	0	0	0	0	115.7	N129 C155	N129-G131 PolarHBondContact O-N 2.85Å; G131-C155 PolarHBondContact N-O 2.93Å
132	Q	82.6	Confident	85	Confident	67 Å²	67	49.5 Å²	49.5	31%	0.313	27%	0.268	S	S	.	.			trans	-103.4	145.7	171.1	-64.6	-173.7	-38.1	0	0	112	I128 N129 P130 E154 C155	I128-Q132 HydrophobicContact CG2-CB 3.7Å; N129-Q132 HydrophobicContact CB-CG 4.08Å; N129-Q132 PolarHBondContact ND2-OE1 3.47Å; N129-Q132 WeakPolarHBondContact O-CB 3Å; N129-Q132 PolarHBondContact O-N 3.24Å; P130-Q132 PolarHBondContact O-N 3.44Å; Q132-E154 WeakPolarHBondContact O-CA 3.01Å; Q132-E154 WeakPolarHBondContact O-CG 3.36Å; Q132-C155 PolarHBondContact O-N 3.48Å
133	S	85.9	Confident	85.2	Confident	96 Å²	96	50.9 Å²	50.9	67%	0.671	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-89.5	162.3	169.9	57.7	0	0	0	0	112.1	N153	S133-N153 CarbonylContact C-O 3.55Å; S133-N153 VanDerWaalsContact CA-O 3.24Å; S133-N153 WeakPolarHBondContact CA-O 3.24Å
134	G	80.4	Confident	85	Confident	47 Å²	47	49.7 Å²	49.7	49%	0.485	28%	0.275	S	S	.	.			trans	105.3	11.5	-177.2	0	0	0	0	0	114.7	N153	G134-N153 PolarHBondContact N-O 2.82Å
135	C	88.7	Confident	84.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.			trans	-81.2	147.8	165	69.2	0	0	0	0	110.5	I128 Q140 C150 N153 E154	I128-C135 HydrophobicContact CB-CB 4.42Å; I128-C135 HydrophobicContact CG1-CB 4.32Å; C135-Q140 HydrophobicContact CB-CB 4.3Å; C135-C150 HydrophobicContact CB-CB 3.85Å; C135-C150 WeakPolarHBondContact CB-SG 3.36Å; C135-C150 PolarHBondContact O-SG 2.94Å; C135-C150 VanDerWaalsContact SG-CA 3.51Å; C135-C150 WeakPolarHBondContact SG-CB 3.19Å; C135-C150 CovalentContact SG-SG 2.04Å; C135-C150 PolarHBondContact SG-SG 3.35Å; C135-N153 PolarHBondContact N-O 2.04Å; C135-N153 VanDerWaalsContact O-CA 3.31Å; C135-N153 WeakPolarHBondContact O-CA 3.27Å; C135-N153 PolarHBondContact SG-O 3.47Å; C135-E154 PolarHBondContact SG-N 2.03Å
136	S	90.3	Very high	84.2	Confident	79 Å²	79	53.2 Å²	53.2	55%	0.552	30%	0.298	S	S	*	.	S	Bend	trans	-123.1	-15.4	166.7	-55.1	0	0	0	0	111.7
137	Y	90	Very high	84	Confident	71 Å²	71	47.6 Å²	47.6	28%	0.278	29%	0.288	S	S	.	.	S	Bend	trans	-134.6	138.4	-176.6	-66.4	-86.7	0	0	0	110.5	I120 H121 Y125 E139 Q140	I120-Y137 HydrophobicContact CD1-CD2 4.13Å; I120-Y137 HydrophobicContact CD1-CG 3.93Å; I120-Y137 HydrophobicContact CG2-CD1 3.83Å; I120-Y137 HydrophobicContact CG2-CD2 4.47Å; I120-Y137 HydrophobicContact CG2-CE1 4.26Å; I120-Y137 HydrophobicContact CG2-CG 3.95Å; H121-Y137 AromaticContact CD2-CE1 3.76Å; H121-Y137 AromaticContact NE2-CE1 3.75Å; Y125-Y137 HydrophobicContact CD1-CD2 4.2Å; Y125-Y137 HydrophobicContact CD1-CE2 4.34Å; Y125-Y137 AromaticContact CE1-CD2 3.97Å; Y125-Y137 HydrophobicContact CE1-CD2 3.97Å; Y125-Y137 AromaticContact CE1-CE2 3.65Å; Y125-Y137 HydrophobicContact CE1-CE2 3.65Å; Y125-Y137 HydrophobicContact CE2-CD2 4.38Å; Y125-Y137 HydrophobicContact CE2-CE2 4.07Å; Y125-Y137 AromaticContact CZ-CE2 3.49Å; Y125-Y137 VanDerWaalsContact CZ-CE2 3.49Å; Y137-E139 PolarHBondContact O-N 3.47Å; Y137-Q140 VanDerWaalsContact N-OE1 3.15Å; Y137-Q140 WeakPolarHBondContact O-CB 2.99Å; Y137-Q140 PolarHBondContact O-N 2.75Å; Y137-Q140 VanDerWaalsContact O-N 3.12Å
138	P	86.9	Confident	83.8	Confident	67 Å²	67	44.7 Å²	44.7	44%	0.435	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.3	178.1	-26.5	35.4	0	0	0	114.3	Q140 C141 N142	P138-Q140 PolarHBondContact O-N 2.77Å; P138-C141 WeakPolarHBondContact O-CB 3.37Å; P138-C141 PolarHBondContact O-N 3.19Å; P138-N142 PolarHBondContact O-N 3.36Å
139	E	89.4	Confident	84	Confident	83 Å²	83	49.1 Å²	49.1	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-26.5	179.8	-62.8	86.9	160	0	0	112.6	V118 I120 Y137 C141 S143	V118-E139 HydrophobicContact CG2-CB 4.37Å; I120-E139 HydrophobicContact CD1-CB 3.88Å; I120-E139 HydrophobicContact CG1-CB 4.19Å; Y137-E139 PolarHBondContact O-N 3.47Å; E139-C141 VanDerWaalsContact C-N 3.27Å; E139-C141 PolarHBondContact O-N 2.83Å; E139-S143 WeakPolarHBondContact O-CB 3.5Å; E139-S143 PolarHBondContact O-N 2.87Å; E139-S143 VanDerWaalsContact O-N 3.11Å; E139-S143 PolarHBondContact O-OG 2.88Å
140	Q	90.8	Very high	84.4	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-30.4	173.4	-65	178.7	-99.2	0	0	112.6	V118 I120 R126 I128 C135 Y137 P138	V118-Q140 HydrophobicContact CG1-CG 4.16Å; I120-Q140 HydrophobicContact CD1-CG 3.73Å; R126-Q140 PolarHBondContact O-NE2 3.29Å; I128-Q140 HydrophobicContact CB-CB 4.43Å; I128-Q140 HydrophobicContact CG1-CB 4.14Å; I128-Q140 PolarHBondContact N-O 2.91Å; C135-Q140 HydrophobicContact CB-CB 4.3Å; Y137-Q140 VanDerWaalsContact N-OE1 3.15Å; Y137-Q140 WeakPolarHBondContact O-CB 2.99Å; Y137-Q140 PolarHBondContact O-N 2.75Å; Y137-Q140 VanDerWaalsContact O-N 3.12Å; P138-Q140 PolarHBondContact O-N 2.77Å
141	C	88.1	Confident	84.8	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-88	-49.9	178.8	-48.2	0	0	0	0	110.7	P138 E139 S143 V144 W145 A148 Y149 C155	P138-C141 WeakPolarHBondContact O-CB 3.37Å; P138-C141 PolarHBondContact O-N 3.19Å; E139-C141 VanDerWaalsContact C-N 3.27Å; E139-C141 PolarHBondContact O-N 2.83Å; C141-S143 PolarHBondContact O-N 3.13Å; C141-V144 PolarHBondContact O-N 3.25Å; C141-W145 PolarHBondContact O-N 2.66Å; C141-A148 HydrophobicContact CB-CB 3.96Å; C141-A148 WeakPolarHBondContact CB-O 3.35Å; C141-Y149 VanDerWaalsContact SG-C 3.6Å; C141-C155 WeakPolarHBondContact CA-SG 3.33Å; C141-C155 HydrophobicContact CB-CB 3.66Å; C141-C155 WeakPolarHBondContact CB-SG 3.24Å; C141-C155 WeakPolarHBondContact SG-CA 3.45Å; C141-C155 WeakPolarHBondContact SG-CB 3.4Å; C141-C155 CovalentContact SG-SG 2.03Å; C141-C155 PolarHBondContact SG-SG 3.05Å
142	N	86.1	Confident	85.1	Confident	67 Å²	67	60.8 Å²	60.8	36%	0.358	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-23.6	-178	-170.5	43.4	0	0	0	113	P138 V144 W145 G147 A148	P138-N142 PolarHBondContact O-N 3.36Å; N142-V144 VanDerWaalsContact C-N 3.34Å; N142-W145 WeakPolarHBondContact CA-O 3.32Å; N142-G147 PolarHBondContact OD1-N 2.83Å; N142-A148 WeakPolarHBondContact CA-O 3.22Å; N142-A148 WeakPolarHBondContact CB-O 3.3Å; N142-A148 PolarHBondContact N-O 2.95Å; N142-A148 VanDerWaalsContact N-O 3.16Å
143	S	80.1	Confident	85.2	Confident	41 Å²	41	62.5 Å²	62.5	29%	0.287	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.5	174.3	62.7	0	0	0	0	114.9	K127 E139 C141	K127-S143 WeakPolarHBondContact CG-OG 3.33Å; E139-S143 WeakPolarHBondContact O-CB 3.5Å; E139-S143 PolarHBondContact O-N 2.87Å; E139-S143 VanDerWaalsContact O-N 3.11Å; E139-S143 PolarHBondContact O-OG 2.88Å; C141-S143 PolarHBondContact O-N 3.13Å
144	V	77	Confident	85.3	Confident	48 Å²	48	60.8 Å²	60.8	29%	0.291	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-52.2	163.5	-178	0	0	0	0	110.3	K127 I128 C141 N142	K127-V144 HydrophobicContact CB-CG2 3.75Å; I128-V144 WeakPolarHBondContact O-CG2 3.23Å; C141-V144 PolarHBondContact O-N 3.25Å; N142-V144 VanDerWaalsContact C-N 3.34Å
145	W	73.7	Confident	85.8	Confident	65 Å²	65	58.6 Å²	58.6	25%	0.246	31%	0.312	C	S	.	.	S	Bend	trans	-131.4	125.7	-178.4	-163.8	-87.4	0	0	0	111.7	P130 C141 N142 G147 A148 V171 C172 P179	P130-W145 HydrophobicContact CG-CB 3.82Å; C141-W145 PolarHBondContact O-N 2.66Å; N142-W145 WeakPolarHBondContact CA-O 3.32Å; W145-G147 PolarHBondContact O-N 3.38Å; W145-A148 HydrophobicContact CB-CB 4.08Å; W145-A148 VanDerWaalsContact O-CB 3.27Å; W145-A148 WeakPolarHBondContact O-CB 3.39Å; W145-A148 PolarHBondContact O-N 2.78Å; W145-V171 HydrophobicContact CE3-CB 4.37Å; W145-V171 HydrophobicContact CH2-CB 3.72Å; W145-V171 HydrophobicContact CH2-CG1 4.09Å; W145-V171 HydrophobicContact CZ3-CB 3.64Å; W145-V171 HydrophobicContact CZ3-CG1 3.71Å; W145-C172 HydrophobicContact CD2-CB 4.28Å; W145-C172 HydrophobicContact CG-CB 4.27Å; W145-C172 HydrophobicContact CZ2-CB 4.31Å; W145-C172 VanDerWaalsContact CZ2-O 3.25Å; W145-C172 WeakPolarHBondContact CZ2-O 3.11Å; W145-P179 HydrophobicContact CH2-CB 4.28Å
146	P	73.6	Confident	85.8	Confident	85 Å²	85	61.7 Å²	61.7	55%	0.552	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130	-180	-26	35	0	0	0	112.6	A148	P146-A148 VanDerWaalsContact C-N 3.26Å; P146-A148 PolarHBondContact O-N 2.87Å
147	G	79.5	Confident	85.6	Confident	39 Å²	39	58.1 Å²	58.1	40%	0.402	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-4.7	-178.6	0	0	0	0	0	115.1	N142 W145	N142-G147 PolarHBondContact OD1-N 2.83Å; W145-G147 PolarHBondContact O-N 3.38Å
148	A	83.8	Confident	85.3	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.017	29%	0.294	C	S	.	.			trans	-70.7	138.3	172.6	0	0	0	0	0	111	P130 C141 N142 W145 P146 K156	P130-A148 HydrophobicContact CG-CB 4.22Å; C141-A148 HydrophobicContact CB-CB 3.96Å; C141-A148 WeakPolarHBondContact CB-O 3.35Å; N142-A148 WeakPolarHBondContact CA-O 3.22Å; N142-A148 WeakPolarHBondContact CB-O 3.3Å; N142-A148 PolarHBondContact N-O 2.95Å; N142-A148 VanDerWaalsContact N-O 3.16Å; W145-A148 HydrophobicContact CB-CB 4.08Å; W145-A148 VanDerWaalsContact O-CB 3.27Å; W145-A148 WeakPolarHBondContact O-CB 3.39Å; W145-A148 PolarHBondContact O-N 2.78Å; P146-A148 VanDerWaalsContact C-N 3.26Å; P146-A148 PolarHBondContact O-N 2.87Å; A148-K156 CarbonylContact C-O 3.6Å; A148-K156 WeakPolarHBondContact CA-O 3.4Å; A148-K156 WeakPolarHBondContact CB-O 3.42Å
149	Y	90.9	Very high	85	Confident	108 Å²	108	59 Å²	59	42%	0.424	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153	-170.6	64.2	-85.4	0	0	0	111.9	C141 Y151 C155 K156 C157	C141-Y149 VanDerWaalsContact SG-C 3.6Å; Y149-Y151 HydrophobicContact CE2-CG 4.42Å; Y149-C155 CarbonylContact O-C 3.47Å; Y149-C155 WeakPolarHBondContact O-CA 3.25Å; Y149-K156 HydrophobicContact CD1-CB 4.24Å; Y149-K156 HydrophobicContact CD2-CB 4.29Å; Y149-K156 HydrophobicContact CE1-CB 3.74Å; Y149-K156 HydrophobicContact CE2-CB 3.81Å; Y149-K156 HydrophobicContact CE2-CG 4.19Å; Y149-K156 HydrophobicContact CG-CB 4.49Å; Y149-K156 VanDerWaalsContact CZ-CB 3.5Å; Y149-K156 PolarHBondContact N-O 2.83Å; Y149-K156 PolarHBondContact O-N 3.39Å; Y149-C157 VanDerWaalsContact CE1-O 3.32Å; Y149-C157 WeakPolarHBondContact CE1-O 3.1Å
150	C	91.8	Very high	84.3	Confident	28 Å²	28	58.5 Å²	58.5	19%	0.189	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.2	177.2	-171.5	0	0	0	0	110.5	C135	C135-C150 HydrophobicContact CB-CB 3.85Å; C135-C150 WeakPolarHBondContact CB-SG 3.36Å; C135-C150 PolarHBondContact O-SG 2.94Å; C135-C150 VanDerWaalsContact SG-CA 3.51Å; C135-C150 WeakPolarHBondContact SG-CB 3.19Å; C135-C150 CovalentContact SG-SG 2.04Å; C135-C150 PolarHBondContact SG-SG 3.35Å
151	Y	90.4	Very high	83.7	Confident	135 Å²	135	60 Å²	60	53%	0.529	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	121.9	178.9	-178.3	-97.3	0	0	0	110.4	Y149 N153 E154	Y149-Y151 HydrophobicContact CE2-CG 4.42Å; Y151-N153 PolarHBondContact O-N 3Å; Y151-E154 PolarHBondContact N-O 2.88Å; Y151-E154 PolarHBondContact O-N 2.8Å; Y151-E154 VanDerWaalsContact O-O 3.11Å
152	L	86.7	Confident	83.2	Confident	142 Å²	142	61.1 Å²	61.1	74%	0.743	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.1	-176.5	-58.8	178.4	0	0	0	113.6	E154	L152-E154 VanDerWaalsContact C-N 3.26Å; L152-E154 PolarHBondContact O-N 2.9Å
153	N	85.5	Confident	82.8	Confident	104 Å²	104	60.2 Å²	60.2	56%	0.556	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	9.9	-174.2	-46.7	-56.9	0	0	0	116.2	S133 G134 C135 Y151	S133-N153 CarbonylContact C-O 3.55Å; S133-N153 VanDerWaalsContact CA-O 3.24Å; S133-N153 WeakPolarHBondContact CA-O 3.24Å; G134-N153 PolarHBondContact N-O 2.82Å; C135-N153 PolarHBondContact N-O 2.04Å; C135-N153 VanDerWaalsContact O-CA 3.31Å; C135-N153 WeakPolarHBondContact O-CA 3.27Å; C135-N153 PolarHBondContact SG-O 3.47Å; Y151-N153 PolarHBondContact O-N 3Å
154	E	88.1	Confident	82.6	Confident	60 Å²	60	58.8 Å²	58.8	28%	0.28	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.5	176.9	-160.7	-157.6	132.2	0	0	111.7	Q132 C135 Y151 L152 K156	Q132-E154 WeakPolarHBondContact O-CA 3.01Å; Q132-E154 WeakPolarHBondContact O-CG 3.36Å; C135-E154 PolarHBondContact SG-N 2.03Å; Y151-E154 PolarHBondContact N-O 2.88Å; Y151-E154 PolarHBondContact O-N 2.8Å; Y151-E154 VanDerWaalsContact O-O 3.11Å; L152-E154 VanDerWaalsContact C-N 3.26Å; L152-E154 PolarHBondContact O-N 2.9Å; E154-K156 PolarHBondContact O-N 2.8Å; E154-K156 WeakPolarHBondContact OE1-CE 3.01Å; E154-K156 IonicContact OE1-NZ 2.75Å; E154-K156 PolarHBondContact OE1-NZ 3.3Å; E154-K156 WeakPolarHBondContact OE2-CE 3.39Å; E154-K156 IonicContact OE2-NZ 2.72Å; E154-K156 PolarHBondContact OE2-NZ 3.09Å
155	C	90.2	Very high	82.3	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.9	174.6	-73.2	0	0	0	0	111.3	I128 N129 P130 G131 Q132 C141 Y149	I128-C155 HydrophobicContact CG2-CB 4.37Å; I128-C155 VanDerWaalsContact CG2-SG 3.55Å; I128-C155 PolarHBondContact O-SG 2.82Å; N129-C155 WeakPolarHBondContact O-CB 3.48Å; P130-C155 CarbonylContact C-O 3.56Å; G131-C155 PolarHBondContact N-O 2.93Å; Q132-C155 PolarHBondContact O-N 3.48Å; C141-C155 WeakPolarHBondContact CA-SG 3.33Å; C141-C155 HydrophobicContact CB-CB 3.66Å; C141-C155 WeakPolarHBondContact CB-SG 3.24Å; C141-C155 WeakPolarHBondContact SG-CA 3.45Å; C141-C155 WeakPolarHBondContact SG-CB 3.4Å; C141-C155 CovalentContact SG-SG 2.03Å; C141-C155 PolarHBondContact SG-SG 3.05Å; Y149-C155 CarbonylContact O-C 3.47Å; Y149-C155 WeakPolarHBondContact O-CA 3.25Å
156	K	89	Confident	82	Confident	66 Å²	66	60.8 Å²	60.8	29%	0.287	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.6	174.6	-59.5	-60.8	-179.1	-175.3	0	110.7	A148 Y149 E154	A148-K156 CarbonylContact C-O 3.6Å; A148-K156 WeakPolarHBondContact CA-O 3.4Å; A148-K156 WeakPolarHBondContact CB-O 3.42Å; Y149-K156 HydrophobicContact CD1-CB 4.24Å; Y149-K156 HydrophobicContact CD2-CB 4.29Å; Y149-K156 HydrophobicContact CE1-CB 3.74Å; Y149-K156 HydrophobicContact CE2-CB 3.81Å; Y149-K156 HydrophobicContact CE2-CG 4.19Å; Y149-K156 HydrophobicContact CG-CB 4.49Å; Y149-K156 VanDerWaalsContact CZ-CB 3.5Å; Y149-K156 PolarHBondContact N-O 2.83Å; Y149-K156 PolarHBondContact O-N 3.39Å; E154-K156 PolarHBondContact O-N 2.8Å; E154-K156 WeakPolarHBondContact OE1-CE 3.01Å; E154-K156 IonicContact OE1-NZ 2.75Å; E154-K156 PolarHBondContact OE1-NZ 3.3Å; E154-K156 WeakPolarHBondContact OE2-CE 3.39Å; E154-K156 IonicContact OE2-NZ 2.72Å; E154-K156 PolarHBondContact OE2-NZ 3.09Å
157	C	86	Confident	81.5	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.027	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-75.8	157	173.2	-72.3	0	0	0	0	111.8	P130 Y149 Q161 C172	P130-C157 VanDerWaalsContact CB-SG 3.54Å; Y149-C157 VanDerWaalsContact CE1-O 3.32Å; Y149-C157 WeakPolarHBondContact CE1-O 3.1Å; C157-Q161 HydrophobicContact CB-CB 3.94Å; C157-Q161 WeakPolarHBondContact CB-O 3.43Å; C157-C172 HydrophobicContact CB-CB 3.6Å; C157-C172 WeakPolarHBondContact CB-SG 3.27Å; C157-C172 WeakPolarHBondContact SG-CB 3.36Å; C157-C172 CovalentContact SG-SG 2.03Å; C157-C172 PolarHBondContact SG-SG 2.96Å
158	P	83.3	Confident	80.3	Confident	20 Å²	20	66.8 Å²	66.8	13%	0.13	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-65.7	164	174.1	29.5	-35.8	0	0	0	112.6	G160 Q161	P158-G160 PolarHBondContact O-N 3.23Å; P158-Q161 VanDerWaalsContact O-CB 3.27Å; P158-Q161 WeakPolarHBondContact O-CB 3.2Å; P158-Q161 WeakPolarHBondContact O-CG 3.2Å; P158-Q161 PolarHBondContact O-N 2.85Å
159	D	81.4	Confident	79.4	Confident	135 Å²	135	68 Å²	68	72%	0.722	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	53.3	27	167.2	-52.5	-37.1	0	0	0	116.4	Q161 F174	D159-Q161 PolarHBondContact O-N 2.77Å; D159-F174 HydrophobicContact CB-CZ 4.45Å
160	G	73.7	Confident	78.4	Confident	74 Å²	74	63.4 Å²	63.4	76%	0.763	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	67.8	13.2	-175.1	0	0	0	0	0	113.8	P158	P158-G160 PolarHBondContact O-N 3.23Å
161	Q	78.9	Confident	77.5	Confident	36 Å²	36	62.8 Å²	62.8	17%	0.168	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-61.8	142.5	175.4	-68.6	177.5	4.9	0	0	110.3	C157 P158 D159 C172 F174	C157-Q161 HydrophobicContact CB-CB 3.94Å; C157-Q161 WeakPolarHBondContact CB-O 3.43Å; P158-Q161 VanDerWaalsContact O-CB 3.27Å; P158-Q161 WeakPolarHBondContact O-CB 3.2Å; P158-Q161 WeakPolarHBondContact O-CG 3.2Å; P158-Q161 PolarHBondContact O-N 2.85Å; D159-Q161 PolarHBondContact O-N 2.77Å; Q161-C172 HydrophobicContact CB-CB 4.2Å; Q161-F174 HydrophobicContact CG-CD1 3.97Å; Q161-F174 HydrophobicContact CG-CD2 4.32Å; Q161-F174 HydrophobicContact CG-CE1 3.61Å; Q161-F174 HydrophobicContact CG-CE2 4Å; Q161-F174 HydrophobicContact CG-CG 4.31Å; Q161-F174 HydrophobicContact CG-CZ 3.62Å
162	P	77.9	Confident	76.8	Confident	25 Å²	25	56.6 Å²	56.6	16%	0.162	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-81.3	145.7	170.3	31.5	-36.4	0	0	0	111.8	T173 P175 P216	P162-T173 WeakPolarHBondContact CD-O 3.39Å; P162-T173 WeakPolarHBondContact CG-O 3.39Å; P162-T173 PolarHBondContact O-N 2.85Å; P162-P175 HydrophobicContact CG-CG 4.2Å; P162-P216 HydrophobicContact CB-CB 3.62Å; P162-P216 HydrophobicContact CB-CG 3.28Å; P162-P216 HydrophobicContact CG-CB 4.08Å; P162-P216 HydrophobicContact CG-CG 3.19Å
163	P	77.7	Confident	76.2	Confident	47 Å²	47	50.3 Å²	50.3	31%	0.305	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	143.4	168.6	31.2	-33.8	0	0	0	111	P130 T170 V171	P130-P163 HydrophobicContact CB-CB 3.95Å; P163-T170 HydrophobicContact CB-CG2 3.84Å; P163-V171 CarbonylContact C-O 3.54Å; P163-V171 WeakPolarHBondContact CA-O 3.48Å
164	Q	76.5	Confident	75.7	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.4	176.2	-73.6	-65	-88.2	0	0	110.8	T170 V171 T173 L212 C213	Q164-T170 CarbonylContact O-C 3.58Å; Q164-T170 VanDerWaalsContact O-CA 3.29Å; Q164-T170 WeakPolarHBondContact O-CA 3.48Å; Q164-T170 WeakPolarHBondContact O-CG2 3.46Å; Q164-V171 HydrophobicContact CB-CG2 3.86Å; Q164-V171 PolarHBondContact N-O 3.28Å; Q164-V171 WeakPolarHBondContact O-CG2 3.28Å; Q164-V171 PolarHBondContact O-N 2.89Å; Q164-T173 HydrophobicContact CB-CG2 4.37Å; Q164-T173 HydrophobicContact CG-CG2 3.98Å; Q164-L212 HydrophobicContact CB-CD2 4.18Å; Q164-C213 PolarHBondContact OE1-O 2.8Å
165	R	69.7	Low	74.9	Confident	135 Å²	135	50.2 Å²	50.2	51%	0.509	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	151.1	173.4	-76.2	-174.6	179.9	-99.5	9	110.5	L212 A220	R165-L212 WeakPolarHBondContact O-CD2 3.21Å; R165-A220 VanDerWaalsContact CZ-O 3.28Å; R165-A220 PolarHBondContact NE-O 2.87Å; R165-A220 PolarHBondContact NH2-O 3.3Å
166	T	67.8	Low	73.9	Confident	19 Å²	19	51.1 Å²	51.1	12%	0.117	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	172.1	164.6	58.7	0	0	0	0	107.8	D168 G169 V171 D210 L212	T166-D168 PolarHBondContact O-N 3.46Å; T166-G169 PolarHBondContact N-O 3.25Å; T166-G169 PolarHBondContact O-N 3.17Å; T166-G169 VanDerWaalsContact O-O 3.08Å; T166-G169 PolarHBondContact OG1-N 3.32Å; T166-G169 PolarHBondContact OG1-O 2.84Å; T166-V171 HydrophobicContact CG2-CG1 3.89Å; T166-V171 HydrophobicContact CG2-CG2 4.05Å; T166-D210 WeakPolarHBondContact CB-OD1 3.39Å; T166-D210 HydrophobicContact CG2-CB 3.8Å; T166-L212 HydrophobicContact CG2-CD2 3.95Å
167	R	63.4	Low	73	Confident	116 Å²	116	53.4 Å²	53.4	44%	0.438	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.5	172	-64.3	178.5	171.6	172.2	2.8	112	D202 P207 D210	R167-D202 HydrophobicContact CG-CB 4.37Å; R167-D202 WeakPolarHBondContact CG-OD2 3.09Å; R167-D202 VanDerWaalsContact NE-CB 3.3Å; R167-D202 IonicContact NE-OD2 2.74Å; R167-D202 PolarHBondContact NH2-O 3.06Å; R167-P207 PolarHBondContact NH1-O 2.62Å; R167-D210 WeakPolarHBondContact CB-OD1 3.39Å; R167-D210 PolarHBondContact N-OD1 3.33Å
168	D	54.4	Low	72.1	Confident	135 Å²	135	53.7 Å²	53.7	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.8	179.8	-76.4	-18.8	0	0	0	114.6	T166	T166-D168 PolarHBondContact O-N 3.46Å
169	G	63.9	Low	70.9	Confident	27 Å²	27	55.2 Å²	55.2	28%	0.278	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.4	-140.5	178.4	0	0	0	0	0	115.3	T166	T166-G169 PolarHBondContact N-O 3.25Å; T166-G169 PolarHBondContact O-N 3.17Å; T166-G169 VanDerWaalsContact O-O 3.08Å; T166-G169 PolarHBondContact OG1-N 3.32Å; T166-G169 PolarHBondContact OG1-O 2.84Å
170	T	70.6	Confident	69.3	Low	11 Å²	11	52 Å²	52	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.5	166.5	-45.5	0	0	0	0	110.2	P130 P163 Q164	P130-T170 HydrophobicContact CB-CG2 4.33Å; P130-T170 WeakPolarHBondContact O-CG2 3.24Å; P163-T170 HydrophobicContact CB-CG2 3.84Å; Q164-T170 CarbonylContact O-C 3.58Å; Q164-T170 VanDerWaalsContact O-CA 3.29Å; Q164-T170 WeakPolarHBondContact O-CA 3.48Å; Q164-T170 WeakPolarHBondContact O-CG2 3.46Å
171	V	72.4	Confident	67.4	Low	15 Å²	15	57.2 Å²	57.2	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	154.3	178.7	-54.7	0	0	0	0	110.3	W145 P163 Q164 T166 T173 P179	W145-V171 HydrophobicContact CE3-CB 4.37Å; W145-V171 HydrophobicContact CH2-CB 3.72Å; W145-V171 HydrophobicContact CH2-CG1 4.09Å; W145-V171 HydrophobicContact CZ3-CB 3.64Å; W145-V171 HydrophobicContact CZ3-CG1 3.71Å; P163-V171 CarbonylContact C-O 3.54Å; P163-V171 WeakPolarHBondContact CA-O 3.48Å; Q164-V171 HydrophobicContact CB-CG2 3.86Å; Q164-V171 PolarHBondContact N-O 3.28Å; Q164-V171 WeakPolarHBondContact O-CG2 3.28Å; Q164-V171 PolarHBondContact O-N 2.89Å; T166-V171 HydrophobicContact CG2-CG1 3.89Å; T166-V171 HydrophobicContact CG2-CG2 4.05Å; V171-T173 HydrophobicContact CG2-CG2 4.43Å; V171-P179 HydrophobicContact CB-CB 4.22Å; V171-P179 HydrophobicContact CB-CG 3.94Å; V171-P179 HydrophobicContact CG1-CB 4.32Å; V171-P179 HydrophobicContact CG1-CG 4.06Å; V171-P179 HydrophobicContact CG2-CB 4.38Å; V171-P179 HydrophobicContact CG2-CG 3.6Å
172	C	75.4	Confident	65.4	Low	5 Å²	5	57.7 Å²	57.7	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.9	165.3	-55.8	0	0	0	0	108.5	W145 C157 Q161	W145-C172 HydrophobicContact CD2-CB 4.28Å; W145-C172 HydrophobicContact CG-CB 4.27Å; W145-C172 HydrophobicContact CZ2-CB 4.31Å; W145-C172 VanDerWaalsContact CZ2-O 3.25Å; W145-C172 WeakPolarHBondContact CZ2-O 3.11Å; C157-C172 HydrophobicContact CB-CB 3.6Å; C157-C172 WeakPolarHBondContact CB-SG 3.27Å; C157-C172 WeakPolarHBondContact SG-CB 3.36Å; C157-C172 CovalentContact SG-SG 2.03Å; C157-C172 PolarHBondContact SG-SG 2.96Å; Q161-C172 HydrophobicContact CB-CB 4.2Å
173	T	74.9	Confident	63.4	Low	11 Å²	11	59.9 Å²	59.9	7%	0.067	34%	0.337	C	S	.	.			trans	-156.6	150.8	179.7	-173.4	0	0	0	0	110.2	P162 Q164 V171 F177 L212	P162-T173 WeakPolarHBondContact CD-O 3.39Å; P162-T173 WeakPolarHBondContact CG-O 3.39Å; P162-T173 PolarHBondContact O-N 2.85Å; Q164-T173 HydrophobicContact CB-CG2 4.37Å; Q164-T173 HydrophobicContact CG-CG2 3.98Å; V171-T173 HydrophobicContact CG2-CG2 4.43Å; T173-F177 WeakPolarHBondContact CG2-O 3.18Å; T173-F177 PolarHBondContact OG1-O 2.72Å; T173-L212 HydrophobicContact CG2-CD1 4.13Å
174	F	74.2	Confident	61.9	Low	99 Å²	99	68.6 Å²	68.6	43%	0.434	37%	0.366	S	S	.	.			trans	-71.1	150.2	175.4	-69.3	-69.8	0	0	0	111.6	D159 Q161 G176 F177	D159-F174 HydrophobicContact CB-CZ 4.45Å; Q161-F174 HydrophobicContact CG-CD1 3.97Å; Q161-F174 HydrophobicContact CG-CD2 4.32Å; Q161-F174 HydrophobicContact CG-CE1 3.61Å; Q161-F174 HydrophobicContact CG-CE2 4Å; Q161-F174 HydrophobicContact CG-CG 4.31Å; Q161-F174 HydrophobicContact CG-CZ 3.62Å; F174-G176 PolarHBondContact O-N 3.27Å; F174-F177 HydrophobicContact CB-CD2 3.72Å; F174-F177 HydrophobicContact CB-CE2 4.28Å; F174-F177 HydrophobicContact CB-CG 4.46Å; F174-F177 PolarHBondContact O-N 2.02Å
175	P	71.9	Confident	60.8	Low	62 Å²	62	69 Å²	69	40%	0.403	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	126.1	174.3	-23.2	32.6	0	0	0	111	P162 F177 N214 P216	P162-P175 HydrophobicContact CG-CG 4.2Å; P175-F177 WeakPolarHBondContact O-CD2 3.2Å; P175-N214 VanDerWaalsContact CB-OD1 3.29Å; P175-N214 WeakPolarHBondContact CB-OD1 3.18Å; P175-P216 HydrophobicContact CG-CG 4.07Å
176	G	68.6	Low	60.7	Low	19 Å²	19	64.8 Å²	64.8	20%	0.196	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-6.6	-177.2	0	0	0	0	0	116.4	F174 K186 N214 F229	F174-G176 PolarHBondContact O-N 3.27Å; G176-K186 WeakPolarHBondContact O-CE 3.43Å; G176-N214 PolarHBondContact N-OD1 3.02Å; G176-F229 VanDerWaalsContact C-CZ 3.47Å
177	F	70.4	Confident	60.4	Low	115 Å²	115	65.7 Å²	65.7	50%	0.504	36%	0.359	S	S	.	.			trans	-115.8	144.1	-175.7	-64.3	-96.8	0	0	0	113.1	T173 F174 P175	T173-F177 WeakPolarHBondContact CG2-O 3.18Å; T173-F177 PolarHBondContact OG1-O 2.72Å; F174-F177 HydrophobicContact CB-CD2 3.72Å; F174-F177 HydrophobicContact CB-CE2 4.28Å; F174-F177 HydrophobicContact CB-CG 4.46Å; F174-F177 PolarHBondContact O-N 2.02Å; P175-F177 WeakPolarHBondContact O-CD2 3.2Å
178	C	66.5	Low	60.4	Low	9 Å²	9	66.2 Å²	66.2	6%	0.061	37%	0.365	C	S	.	.			trans	-85.3	160.1	169.9	-57.6	0	0	0	0	111.7	T180 S185 C231	C178-T180 PolarHBondContact O-N 3.48Å; C178-S185 VanDerWaalsContact CB-OG 3.29Å; C178-S185 WeakPolarHBondContact CB-OG 3.02Å; C178-S185 PolarHBondContact SG-OG 2.62Å; C178-C231 WeakPolarHBondContact CA-SG 2.99Å; C178-C231 HydrophobicContact CB-CB 3.62Å; C178-C231 WeakPolarHBondContact CB-SG 3.34Å; C178-C231 VanDerWaalsContact SG-CA 3.55Å; C178-C231 WeakPolarHBondContact SG-CB 3.28Å; C178-C231 CovalentContact SG-SG 2.03Å; C178-C231 PolarHBondContact SG-SG 3.18Å
179	P	58	Low	60.4	Low	52 Å²	52	61.3 Å²	61.3	34%	0.338	35%	0.346	S	S	.	.	S	Bend	trans	-75	13	-173.7	-15.7	33.1	0	0	0	115.1	W145 V171 L212	W145-P179 HydrophobicContact CH2-CB 4.28Å; V171-P179 HydrophobicContact CB-CB 4.22Å; V171-P179 HydrophobicContact CB-CG 3.94Å; V171-P179 HydrophobicContact CG1-CB 4.32Å; V171-P179 HydrophobicContact CG1-CG 4.06Å; V171-P179 HydrophobicContact CG2-CB 4.38Å; V171-P179 HydrophobicContact CG2-CG 3.6Å; P179-L212 HydrophobicContact CG-CD1 4.42Å
180	T	49.2	Very low	59.7	Low	67 Å²	67	66 Å²	66	41%	0.411	38%	0.382	S	S	.	.	S	Bend	trans	-111	131.9	179.1	51.6	0	0	0	0	109	C178 G182	C178-T180 PolarHBondContact O-N 3.48Å; T180-G182 PolarHBondContact O-N 3.28Å
181	N	33.9	Very low	59.1	Low	184 Å²	184	70.9 Å²	70.9	98%	0.984	41%	0.408	S	S	*	.	S	Bend	trans	-60.2	91.2	-177.6	-72.9	-5.9	0	0	0	112.1
182	G	35	Very low	58.3	Low	47 Å²	47	71.9 Å²	71.9	49%	0.485	42%	0.421	S	S	.	.	S	Bend	trans	165.3	131	176.8	0	0	0	0	0	113.2	T180 Y184 S185	T180-G182 PolarHBondContact O-N 3.28Å; G182-Y184 PolarHBondContact O-N 3.15Å; G182-S185 PolarHBondContact O-OG 2.85Å; G182-S185 VanDerWaalsContact O-OG 3.1Å
183	A	37.4	Very low	57.7	Low	71 Å²	71	76.9 Å²	76.9	59%	0.587	45%	0.447	S	S	*	.	S	Bend	trans	-71.8	6.7	-170.5	0	0	0	0	0	116.2
184	Y	45.6	Very low	57.3	Low	229 Å²	229	80.7 Å²	80.7	90%	0.898	46%	0.463	S	S	*	.			trans	-139	60.1	-171.3	-59.9	-68.7	0	0	0	111.9	G182	G182-Y184 PolarHBondContact O-N 3.15Å
185	S	54.2	Low	57	Low	20 Å²	20	77.2 Å²	77.2	14%	0.14	45%	0.453	C	S	.	.			trans	-113.6	-22.1	-170.2	30.4	0	0	0	0	114.2	C178 G182 P232	C178-S185 VanDerWaalsContact CB-OG 3.29Å; C178-S185 WeakPolarHBondContact CB-OG 3.02Å; C178-S185 PolarHBondContact SG-OG 2.62Å; G182-S185 PolarHBondContact O-OG 2.85Å; G182-S185 VanDerWaalsContact O-OG 3.1Å; S185-P232 WeakPolarHBondContact O-CD 3.27Å; S185-P232 WeakPolarHBondContact O-CG 2.99Å
186	K	66.1	Low	57.1	Low	47 Å²	47	78.1 Å²	78.1	20%	0.204	46%	0.461	C	S	.	.	S	Bend	trans	-62	144.8	179.2	-57.9	173.3	-174.1	169.1	0	112.4	G176 E194 F229 C230	G176-K186 WeakPolarHBondContact O-CE 3.43Å; K186-E194 HydrophobicContact CD-CG 4.14Å; K186-E194 VanDerWaalsContact CD-OE1 3.27Å; K186-E194 WeakPolarHBondContact CD-OE1 3.29Å; K186-E194 VanDerWaalsContact CD-OE2 3.31Å; K186-E194 WeakPolarHBondContact CD-OE2 3.41Å; K186-E194 IonicContact NZ-OE1 2.82Å; K186-E194 PolarHBondContact NZ-OE1 2.82Å; K186-E194 IonicContact NZ-OE2 2.8Å; K186-E194 PolarHBondContact NZ-OE2 3.23Å; K186-F229 HydrophobicContact CB-CB 4.41Å; K186-F229 HydrophobicContact CD-CB 3.9Å; K186-F229 HydrophobicContact CD-CD1 3.93Å; K186-F229 HydrophobicContact CD-CD2 3.96Å; K186-F229 HydrophobicContact CD-CE1 4.46Å; K186-F229 HydrophobicContact CD-CE2 4.49Å; K186-F229 HydrophobicContact CD-CG 3.66Å; K186-F229 HydrophobicContact CG-CB 4.09Å; K186-F229 HydrophobicContact CG-CD2 3.7Å; K186-F229 HydrophobicContact CG-CE2 4.27Å; K186-F229 HydrophobicContact CG-CG 3.87Å; K186-C230 CarbonylContact C-O 3.35Å; K186-C230 WeakPolarHBondContact CA-O 3.34Å
187	L	62.3	Low	57.5	Low	38 Å²	38	77.2 Å²	77.2	20%	0.199	45%	0.452	C	S	.	.			trans	-59.1	147.3	167.5	-174.8	62.5	0	0	0	110.7	A195 P206 Y209 C230	L187-A195 HydrophobicContact CB-CB 4Å; L187-A195 HydrophobicContact CD2-CB 3.75Å; L187-A195 HydrophobicContact CG-CB 3.7Å; L187-A195 PolarHBondContact O-N 2.98Å; L187-P206 HydrophobicContact CD2-CG 3.58Å; L187-Y209 HydrophobicContact CB-CD1 3.85Å; L187-Y209 HydrophobicContact CB-CE1 3.63Å; L187-Y209 HydrophobicContact CD1-CE1 4.04Å; L187-Y209 HydrophobicContact CD1-CE2 4.21Å; L187-Y209 HydrophobicContact CG-CE1 4.35Å; L187-C230 HydrophobicContact CB-CB 3.77Å; L187-C230 HydrophobicContact CD2-CB 3.87Å; L187-C230 PolarHBondContact N-O 3.07Å
188	K	64.2	Low	57.6	Low	127 Å²	127	77 Å²	77	55%	0.552	46%	0.455	S	S	*	.	B	Isolated β-bridge	trans	-129.2	145.9	173	-70.9	-177.6	162.1	-133.3	0	111.3	G192 I193	K188-G192 WeakPolarHBondContact CD-O 2.96Å; K188-G192 WeakPolarHBondContact CE-O 3.15Å; K188-G192 PolarHBondContact NZ-O 3.17Å; K188-I193 CarbonylContact C-O 3.57Å; K188-I193 WeakPolarHBondContact CA-O 3.32Å; K188-I193 WeakPolarHBondContact CB-O 2.97Å
189	G	52.9	Low	57.5	Low	33 Å²	33	84.3 Å²	84.3	34%	0.34	49%	0.488	S	S	.	.			trans	-69.5	173.5	170.4	0	0	0	0	0	112.3	D191 G192 I193	G189-D191 WeakPolarHBondContact CA-OD1 3.02Å; G189-D191 PolarHBondContact O-N 2.79Å; G189-G192 PolarHBondContact O-N 3.34Å; G189-I193 PolarHBondContact N-O 2.72Å
190	A	49.2	Very low	57.8	Low	124 Å²	124	83 Å²	83	100%	1.025	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.6	174.6	0	0	0	0	0	113.4
191	D	59.5	Low	58.9	Low	115 Å²	115	81.6 Å²	81.6	62%	0.615	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-8.1	171.1	54.2	11.1	0	0	0	113.7	G189 I193	G189-D191 WeakPolarHBondContact CA-OD1 3.02Å; G189-D191 PolarHBondContact O-N 2.79Å; D191-I193 VanDerWaalsContact C-N 3.29Å; D191-I193 HydrophobicContact CB-CD1 4.39Å; D191-I193 HydrophobicContact CB-CG1 4.2Å; D191-I193 WeakPolarHBondContact OD1-CB 3.47Å; D191-I193 PolarHBondContact OD1-N 3.21Å
192	G	55.3	Low	60.4	Low	36 Å²	36	74.7 Å²	74.7	37%	0.371	44%	0.441	S	S	.	.	S	Bend	trans	79.4	3.6	-175.3	0	0	0	0	0	115.2	K188 G189	K188-G192 WeakPolarHBondContact CD-O 2.96Å; K188-G192 WeakPolarHBondContact CE-O 3.15Å; K188-G192 PolarHBondContact NZ-O 3.17Å; G189-G192 PolarHBondContact O-N 3.34Å
193	I	62.4	Low	62	Low	110 Å²	110	78.9 Å²	78.9	56%	0.564	45%	0.452	S	S	*	.			trans	-76.8	146.8	176.2	-58.1	-178	0	0	0	109.1	K188 G189 D191 A195	K188-I193 CarbonylContact C-O 3.57Å; K188-I193 WeakPolarHBondContact CA-O 3.32Å; K188-I193 WeakPolarHBondContact CB-O 2.97Å; G189-I193 PolarHBondContact N-O 2.72Å; D191-I193 VanDerWaalsContact C-N 3.29Å; D191-I193 HydrophobicContact CB-CD1 4.39Å; D191-I193 HydrophobicContact CB-CG1 4.2Å; D191-I193 WeakPolarHBondContact OD1-CB 3.47Å; D191-I193 PolarHBondContact OD1-N 3.21Å; I193-A195 PolarHBondContact O-N 2.84Å
194	E	67	Low	63.4	Low	90 Å²	90	81.3 Å²	81.3	42%	0.421	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-62.5	124.3	175.2	-59.4	-172.2	161.2	0	0	110.2	K186 S196	K186-E194 HydrophobicContact CD-CG 4.14Å; K186-E194 VanDerWaalsContact CD-OE1 3.27Å; K186-E194 WeakPolarHBondContact CD-OE1 3.29Å; K186-E194 VanDerWaalsContact CD-OE2 3.31Å; K186-E194 WeakPolarHBondContact CD-OE2 3.41Å; K186-E194 IonicContact NZ-OE1 2.82Å; K186-E194 PolarHBondContact NZ-OE1 2.82Å; K186-E194 IonicContact NZ-OE2 2.8Å; K186-E194 PolarHBondContact NZ-OE2 3.23Å; E194-S196 PolarHBondContact O-N 3.23Å
195	A	66.4	Low	64.2	Low	26 Å²	26	70.8 Å²	70.8	22%	0.215	41%	0.406	C	S	.	.			trans	-77.3	110.5	-176.7	0	0	0	0	0	110.4	L187 I193 F229 C230	L187-A195 HydrophobicContact CB-CB 4Å; L187-A195 HydrophobicContact CD2-CB 3.75Å; L187-A195 HydrophobicContact CG-CB 3.7Å; L187-A195 PolarHBondContact O-N 2.98Å; I193-A195 PolarHBondContact O-N 2.84Å; A195-F229 WeakPolarHBondContact O-CA 3.4Å; A195-C230 PolarHBondContact O-N 2.79Å
196	S	74.4	Confident	64.3	Low	82 Å²	82	71.9 Å²	71.9	57%	0.573	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-86.2	141.9	177.9	54.4	0	0	0	0	112.1	E194 T228	E194-S196 PolarHBondContact O-N 3.23Å; S196-T228 WeakPolarHBondContact CA-O 3.26Å; S196-T228 WeakPolarHBondContact CB-O 3.36Å
197	C	76.9	Confident	63.5	Low	0 Å²	0	72.1 Å²	72.1	0%	0	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-101.4	121.6	176.1	35.7	0	0	0	0	110	S201 C205 C211 T228	C197-S201 WeakPolarHBondContact CB-O 3.34Å; C197-C205 VanDerWaalsContact CB-SG 3.6Å; C197-C205 VanDerWaalsContact SG-SG 3.68Å; C197-C211 HydrophobicContact CB-CB 3.78Å; C197-C211 WeakPolarHBondContact CB-SG 3.41Å; C197-C211 WeakPolarHBondContact SG-CA 3.19Å; C197-C211 WeakPolarHBondContact SG-CB 3.4Å; C197-C211 CovalentContact SG-SG 2.02Å; C197-C211 PolarHBondContact SG-SG 3.4Å; C197-T228 PolarHBondContact N-OG1 3.26Å; C197-T228 WeakPolarHBondContact O-CB 3.19Å; C197-T228 PolarHBondContact O-OG1 2.84Å
198	L	72.2	Confident	63	Low	110 Å²	110	71.7 Å²	71.7	58%	0.576	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-63.3	140.3	-175.5	-81.3	152.1	0	0	0	111.4	G200 S201 Y204	L198-G200 PolarHBondContact O-N 3.43Å; L198-S201 PolarHBondContact O-N 2.88Å; L198-Y204 HydrophobicContact CB-CD1 3.99Å; L198-Y204 HydrophobicContact CB-CD2 3.64Å; L198-Y204 HydrophobicContact CB-CE1 3.88Å; L198-Y204 HydrophobicContact CB-CE2 3.52Å; L198-Y204 HydrophobicContact CB-CG 3.88Å; L198-Y204 HydrophobicContact CD1-CD1 3.91Å; L198-Y204 HydrophobicContact CD1-CE1 3.63Å; L198-Y204 HydrophobicContact CG-CD1 4.46Å; L198-Y204 HydrophobicContact CG-CE1 4.38Å; L198-Y204 VanDerWaalsContact O-CD2 3.23Å; L198-Y204 WeakPolarHBondContact O-CD2 3.43Å; L198-Y204 WeakPolarHBondContact O-CE2 3.23Å
199	E	65.5	Low	63	Low	162 Å²	162	67.3 Å²	67.3	76%	0.757	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	57.5	-0.2	179.1	-54.7	-171.1	149.4	0	0	116.5
200	G	64.9	Low	63.8	Low	26 Å²	26	66.3 Å²	66.3	27%	0.268	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	88.7	12.3	-170.4	0	0	0	0	0	114.4	L198 C211 C224	L198-G200 PolarHBondContact O-N 3.43Å; G200-C211 VanDerWaalsContact CA-SG 3.56Å; G200-C224 WeakPolarHBondContact CA-SG 3.37Å
201	S	71.5	Confident	65.2	Low	36 Å²	36	60.8 Å²	60.8	25%	0.252	34%	0.34	S	S	.	.			trans	-83.8	135.4	177.1	-176.4	0	0	0	0	112.5	C197 L198 D203 Y204	C197-S201 WeakPolarHBondContact CB-O 3.34Å; L198-S201 PolarHBondContact O-N 2.88Å; S201-D203 PolarHBondContact O-N 3.11Å; S201-D203 WeakPolarHBondContact OG-CB 3.25Å; S201-D203 PolarHBondContact OG-N 2.99Å; S201-D203 VanDerWaalsContact OG-N 3.08Å; S201-D203 PolarHBondContact OG-OD2 2.97Å; S201-Y204 PolarHBondContact O-N 3.32Å
202	D	65.5	Low	66.1	Low	40 Å²	40	55.4 Å²	55.4	21%	0.214	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-61.7	-14.9	168.7	-57.7	-49.2	0	0	0	113.2	R167 Y204 C205 C211	R167-D202 HydrophobicContact CG-CB 4.37Å; R167-D202 WeakPolarHBondContact CG-OD2 3.09Å; R167-D202 VanDerWaalsContact NE-CB 3.3Å; R167-D202 IonicContact NE-OD2 2.74Å; R167-D202 PolarHBondContact NH2-O 3.06Å; D202-Y204 PolarHBondContact O-N 2.75Å; D202-C205 PolarHBondContact O-N 2.77Å; D202-C205 VanDerWaalsContact O-O 3.1Å; D202-C211 WeakPolarHBondContact OD1-CB 3.28Å; D202-C211 PolarHBondContact OD1-N 2.87Å
203	D	67.7	Low	67.2	Low	135 Å²	135	54.4 Å²	54.4	72%	0.722	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61.9	-24.5	177.3	-60.6	-48.4	0	0	0	112.6	S201	S201-D203 PolarHBondContact O-N 3.11Å; S201-D203 WeakPolarHBondContact OG-CB 3.25Å; S201-D203 PolarHBondContact OG-N 2.99Å; S201-D203 VanDerWaalsContact OG-N 3.08Å; S201-D203 PolarHBondContact OG-OD2 2.97Å
204	Y	68.3	Low	67.9	Low	122 Å²	122	51.5 Å²	51.5	48%	0.478	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-91.4	-1.1	176.1	-59.2	-80	0	0	0	113	L198 S201 D202	L198-Y204 HydrophobicContact CB-CD1 3.99Å; L198-Y204 HydrophobicContact CB-CD2 3.64Å; L198-Y204 HydrophobicContact CB-CE1 3.88Å; L198-Y204 HydrophobicContact CB-CE2 3.52Å; L198-Y204 HydrophobicContact CB-CG 3.88Å; L198-Y204 HydrophobicContact CD1-CD1 3.91Å; L198-Y204 HydrophobicContact CD1-CE1 3.63Å; L198-Y204 HydrophobicContact CG-CD1 4.46Å; L198-Y204 HydrophobicContact CG-CE1 4.38Å; L198-Y204 VanDerWaalsContact O-CD2 3.23Å; L198-Y204 WeakPolarHBondContact O-CD2 3.43Å; L198-Y204 WeakPolarHBondContact O-CE2 3.23Å; S201-Y204 PolarHBondContact O-N 3.32Å; D202-Y204 PolarHBondContact O-N 2.75Å
205	C	61.5	Low	68	Low	7 Å²	7	50.7 Å²	50.7	5%	0.047	29%	0.286	C	S	.	.	S	Bend	trans	-101	144.4	170.2	-66.1	0	0	0	0	110.8	C197 D202 Y209 C230	C197-C205 VanDerWaalsContact CB-SG 3.6Å; C197-C205 VanDerWaalsContact SG-SG 3.68Å; D202-C205 PolarHBondContact O-N 2.77Å; D202-C205 VanDerWaalsContact O-O 3.1Å; C205-Y209 WeakPolarHBondContact CB-O 3.46Å; C205-C230 WeakPolarHBondContact CA-SG 3.19Å; C205-C230 HydrophobicContact CB-CB 3.82Å; C205-C230 WeakPolarHBondContact CB-SG 3.36Å; C205-C230 WeakPolarHBondContact SG-CA 3.04Å; C205-C230 WeakPolarHBondContact SG-CB 3.28Å; C205-C230 CovalentContact SG-SG 2.04Å; C205-C230 PolarHBondContact SG-SG 2.87Å
206	P	57.4	Low	67.9	Low	43 Å²	43	50.5 Å²	50.5	28%	0.279	28%	0.282	S	S	.	.			trans	-54.8	146.7	170.2	-23.2	32.3	0	0	0	110.8	L187 T208 Y209	L187-P206 HydrophobicContact CD2-CG 3.58Å; P206-T208 PolarHBondContact O-N 2.98Å; P206-Y209 HydrophobicContact CB-CD2 4.04Å; P206-Y209 HydrophobicContact CG-CD2 4.18Å; P206-Y209 WeakPolarHBondContact O-CA 3.4Å; P206-Y209 WeakPolarHBondContact O-CB 3.38Å; P206-Y209 PolarHBondContact O-N 2.74Å
207	P	49.4	Very low	67.3	Low	53 Å²	53	47.5 Å²	47.5	34%	0.344	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44	-23.9	177.3	-36.8	33.5	0	0	0	118.7	R167 V279 A280	R167-P207 PolarHBondContact NH1-O 2.62Å; P207-V279 HydrophobicContact CB-CG1 4.45Å; P207-V279 HydrophobicContact CG-CG1 3.83Å; P207-A280 HydrophobicContact CG-CB 4.17Å
208	T	50.4	Low	66.5	Low	29 Å²	29	55.2 Å²	55.2	18%	0.178	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	19.6	175.6	52.6	0	0	0	0	113.5	P206 S233 N277	P206-T208 PolarHBondContact O-N 2.98Å; T208-S233 VanDerWaalsContact C-OG 3.26Å; T208-S233 WeakPolarHBondContact O-CA 3.35Å; T208-S233 WeakPolarHBondContact O-CB 3.13Å; T208-S233 PolarHBondContact O-N 2.78Å; T208-S233 PolarHBondContact O-OG 3.27Å; T208-N277 HydrophobicContact CG2-CB 4.27Å
209	Y	64.5	Low	65.7	Low	35 Å²	35	52.8 Å²	52.8	14%	0.137	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.5	179.4	-73.8	-107.9	0	0	0	111.9	L187 C205 P206 C230 C231 P232 S233	L187-Y209 HydrophobicContact CB-CD1 3.85Å; L187-Y209 HydrophobicContact CB-CE1 3.63Å; L187-Y209 HydrophobicContact CD1-CE1 4.04Å; L187-Y209 HydrophobicContact CD1-CE2 4.21Å; L187-Y209 HydrophobicContact CG-CE1 4.35Å; C205-Y209 WeakPolarHBondContact CB-O 3.46Å; P206-Y209 HydrophobicContact CB-CD2 4.04Å; P206-Y209 HydrophobicContact CG-CD2 4.18Å; P206-Y209 WeakPolarHBondContact O-CA 3.4Å; P206-Y209 WeakPolarHBondContact O-CB 3.38Å; P206-Y209 PolarHBondContact O-N 2.74Å; Y209-C230 HydrophobicContact CD1-CB 3.99Å; Y209-C230 HydrophobicContact CG-CB 4.33Å; Y209-C231 CarbonylContact C-O 3.54Å; Y209-C231 WeakPolarHBondContact CA-O 3.18Å; Y209-C231 WeakPolarHBondContact CB-O 3.35Å; Y209-C231 WeakPolarHBondContact CD1-O 3.46Å; Y209-P232 HydrophobicContact CD1-CB 4.17Å; Y209-P232 HydrophobicContact CD1-CG 4.27Å; Y209-P232 HydrophobicContact CE1-CB 3.81Å; Y209-P232 HydrophobicContact CE1-CG 3.68Å; Y209-S233 VanDerWaalsContact CA-OG 3.32Å; Y209-S233 WeakPolarHBondContact CA-OG 2.98Å; Y209-S233 PolarHBondContact N-OG 3.04Å
210	D	70	Confident	64.8	Low	11 Å²	11	46.8 Å²	46.8	6%	0.059	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.1	175.7	-58.9	-86.9	0	0	0	110.9	T166 R167 C230 C231 S233	T166-D210 WeakPolarHBondContact CB-OD1 3.39Å; T166-D210 HydrophobicContact CG2-CB 3.8Å; R167-D210 WeakPolarHBondContact CB-OD1 3.39Å; R167-D210 PolarHBondContact N-OD1 3.33Å; D210-C230 CarbonylContact O-C 3.53Å; D210-C230 WeakPolarHBondContact O-CA 3.45Å; D210-C231 PolarHBondContact N-O 3.32Å; D210-C231 PolarHBondContact O-N 3.18Å; D210-S233 WeakPolarHBondContact OD2-CB 3.49Å; D210-S233 PolarHBondContact OD2-OG 2.95Å
211	C	79.3	Confident	64	Low	9 Å²	9	54.1 Å²	54.1	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.9	179.7	-177	0	0	0	0	112.1	C197 G200 D202	C197-C211 HydrophobicContact CB-CB 3.78Å; C197-C211 WeakPolarHBondContact CB-SG 3.41Å; C197-C211 WeakPolarHBondContact SG-CA 3.19Å; C197-C211 WeakPolarHBondContact SG-CB 3.4Å; C197-C211 CovalentContact SG-SG 2.02Å; C197-C211 PolarHBondContact SG-SG 3.4Å; G200-C211 VanDerWaalsContact CA-SG 3.56Å; D202-C211 WeakPolarHBondContact OD1-CB 3.28Å; D202-C211 PolarHBondContact OD1-N 2.87Å
212	L	78.8	Confident	63.4	Low	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.3	176.1	-53.4	-165.9	0	0	0	112.2	Q164 R165 T166 T173 P179 T228 F229 C231	Q164-L212 HydrophobicContact CB-CD2 4.18Å; R165-L212 WeakPolarHBondContact O-CD2 3.21Å; T166-L212 HydrophobicContact CG2-CD2 3.95Å; T173-L212 HydrophobicContact CG2-CD1 4.13Å; P179-L212 HydrophobicContact CG-CD1 4.42Å; L212-T228 VanDerWaalsContact O-CA 3.27Å; L212-T228 WeakPolarHBondContact O-CA 3.36Å; L212-F229 HydrophobicContact CB-CD2 4.2Å; L212-F229 HydrophobicContact CB-CE2 3.81Å; L212-F229 HydrophobicContact CB-CZ 4.4Å; L212-F229 HydrophobicContact CD1-CE2 4.21Å; L212-F229 HydrophobicContact CG-CE2 4.41Å; L212-F229 PolarHBondContact N-O 3.46Å; L212-F229 PolarHBondContact O-N 2.99Å; L212-C231 HydrophobicContact CD1-CB 4.12Å; L212-C231 VanDerWaalsContact CD1-SG 3.53Å; L212-C231 HydrophobicContact CG-CB 4.21Å
213	C	78.4	Confident	63.2	Low	16 Å²	16	56 Å²	56	11%	0.108	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	146.6	176.7	-55.3	0	0	0	0	112.3	Q164 P215 C224	Q164-C213 PolarHBondContact OE1-O 2.8Å; C213-P215 CarbonylContact C-O 3.46Å; C213-P215 WeakPolarHBondContact CB-O 3.47Å; C213-C224 HydrophobicContact CB-CB 3.7Å; C213-C224 WeakPolarHBondContact CB-SG 3.36Å; C213-C224 VanDerWaalsContact SG-CA 3.55Å; C213-C224 WeakPolarHBondContact SG-CB 3.43Å; C213-C224 CovalentContact SG-SG 2.04Å; C213-C224 PolarHBondContact SG-SG 2.9Å
214	N	75.7	Confident	63.1	Low	49 Å²	49	50.8 Å²	50.8	26%	0.262	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	100.3	174.8	-174	38.9	0	0	0	112.4	P175 G176 A227 F229	P175-N214 VanDerWaalsContact CB-OD1 3.29Å; P175-N214 WeakPolarHBondContact CB-OD1 3.18Å; G176-N214 PolarHBondContact N-OD1 3.02Å; N214-A227 CarbonylContact C-O 3.59Å; N214-A227 WeakPolarHBondContact CA-O 3.36Å; N214-A227 PolarHBondContact N-O 3.4Å; N214-A227 PolarHBondContact O-N 3.26Å; N214-F229 HydrophobicContact CB-CD1 4.35Å; N214-F229 HydrophobicContact CB-CE1 3.59Å; N214-F229 HydrophobicContact CB-CZ 4.36Å
215	P	70.3	Confident	63.1	Low	72 Å²	72	50.4 Å²	50.4	47%	0.468	29%	0.293	S	S	.	.	S	Bend	cis	-68.1	156.6	3.5	29	-36.3	0	0	0	112.9	C213	C213-P215 CarbonylContact C-O 3.46Å; C213-P215 WeakPolarHBondContact CB-O 3.47Å
216	P	63.6	Low	63.5	Low	22 Å²	22	52 Å²	52	14%	0.143	31%	0.311	C	S	.	.			trans	-42.4	140.4	167	-25.5	24	0	0	0	113.7	P162 P175 K218	P162-P216 HydrophobicContact CB-CB 3.62Å; P162-P216 HydrophobicContact CB-CG 3.28Å; P162-P216 HydrophobicContact CG-CB 4.08Å; P162-P216 HydrophobicContact CG-CG 3.19Å; P175-P216 HydrophobicContact CG-CG 4.07Å; P216-K218 PolarHBondContact O-N 2.91Å
217	A	62.4	Low	64.4	Low	20 Å²	20	52.9 Å²	52.9	17%	0.165	32%	0.322	C	S	.	.			trans	-55.9	136.9	167.6	0	0	0	0	0	111.5	S219 S222	A217-S219 PolarHBondContact O-N 2.94Å; A217-S219 VanDerWaalsContact O-N 3.07Å; A217-S222 VanDerWaalsContact CB-O 3.29Å; A217-S222 WeakPolarHBondContact CB-O 3.48Å
218	K	59.5	Low	65.9	Low	162 Å²	162	51.1 Å²	51.1	70%	0.704	31%	0.31	S	S	*	.	S	Bend	trans	-60.4	-18.1	179.9	-72.1	171.9	178.1	147.1	0	114.2	P216 E225	P216-K218 PolarHBondContact O-N 2.91Å; K218-E225 WeakPolarHBondContact CD-OE1 3.19Å; K218-E225 WeakPolarHBondContact CE-OE1 3.34Å; K218-E225 WeakPolarHBondContact CE-OE2 3.45Å; K218-E225 IonicContact NZ-OE1 3.25Å; K218-E225 PolarHBondContact NZ-OE1 2.87Å; K218-E225 IonicContact NZ-OE2 2.81Å; K218-E225 PolarHBondContact NZ-OE2 2.91Å
219	S	55.7	Low	67.3	Low	59 Å²	59	50 Å²	50	41%	0.413	30%	0.302	S	S	.	.	S	Bend	trans	-150.8	162	175.7	74.1	0	0	0	0	110.3	A217 M221 S222	A217-S219 PolarHBondContact O-N 2.94Å; A217-S219 VanDerWaalsContact O-N 3.07Å; S219-M221 PolarHBondContact O-N 3.15Å; S219-M221 PolarHBondContact OG-N 2.83Å; S219-S222 PolarHBondContact N-OG 2.94Å; S219-S222 PolarHBondContact O-N 3.11Å; S219-S222 PolarHBondContact O-OG 3.4Å; S219-S222 VanDerWaalsContact O-OG 3.07Å; S219-S222 WeakPolarHBondContact OG-CB 3.45Å; S219-S222 PolarHBondContact OG-N 3.43Å; S219-S222 PolarHBondContact OG-OG 3.16Å
220	A	46.1	Very low	67.8	Low	35 Å²	35	48.3 Å²	48.3	29%	0.289	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	16.4	173.1	0	0	0	0	0	114.1	R165	R165-A220 VanDerWaalsContact CZ-O 3.28Å; R165-A220 PolarHBondContact NE-O 2.87Å; R165-A220 PolarHBondContact NH2-O 3.3Å
221	M	49	Very low	67.9	Low	180 Å²	180	48 Å²	48	89%	0.887	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.3	6	-178.9	-61.5	178.8	70.9	0	0	113.3	S219	S219-M221 PolarHBondContact O-N 3.15Å; S219-M221 PolarHBondContact OG-N 2.83Å
222	S	58.6	Low	67	Low	45 Å²	45	48.8 Å²	48.8	32%	0.315	30%	0.3	S	S	.	.	S	Bend	trans	-108.6	143.3	177.7	48.5	0	0	0	0	110.8	A217 S219	A217-S222 VanDerWaalsContact CB-O 3.29Å; A217-S222 WeakPolarHBondContact CB-O 3.48Å; S219-S222 PolarHBondContact N-OG 2.94Å; S219-S222 PolarHBondContact O-N 3.11Å; S219-S222 PolarHBondContact O-OG 3.4Å; S219-S222 VanDerWaalsContact O-OG 3.07Å; S219-S222 WeakPolarHBondContact OG-CB 3.45Å; S219-S222 PolarHBondContact OG-N 3.43Å; S219-S222 PolarHBondContact OG-OG 3.16Å
223	A	60.2	Low	65.8	Low	71 Å²	71	49.7 Å²	49.7	59%	0.587	31%	0.306	S	S	*	.			trans	-60	160.5	173.4	0	0	0	0	0	112.4	E225	A223-E225 PolarHBondContact O-N 3.43Å
224	C	67.3	Low	64.7	Low	25 Å²	25	59.3 Å²	59.3	17%	0.169	34%	0.34	C	S	.	.			trans	-65.6	128.5	176	-56.7	0	0	0	0	111	G200 C213 G226 T228	G200-C224 WeakPolarHBondContact CA-SG 3.37Å; C213-C224 HydrophobicContact CB-CB 3.7Å; C213-C224 WeakPolarHBondContact CB-SG 3.36Å; C213-C224 VanDerWaalsContact SG-CA 3.55Å; C213-C224 WeakPolarHBondContact SG-CB 3.43Å; C213-C224 CovalentContact SG-SG 2.04Å; C213-C224 PolarHBondContact SG-SG 2.9Å; C224-G226 VanDerWaalsContact C-N 3.28Å; C224-G226 PolarHBondContact O-N 2.82Å; C224-T228 HydrophobicContact CB-CG2 3.74Å; C224-T228 VanDerWaalsContact SG-CG2 3.53Å
225	E	66.6	Low	63.7	Low	115 Å²	115	57.5 Å²	57.5	54%	0.537	33%	0.333	S	S	.	.	S	Bend	trans	-90.1	20.3	178	-62.8	-173.5	158.6	0	0	113.3	K218 A223	K218-E225 WeakPolarHBondContact CD-OE1 3.19Å; K218-E225 WeakPolarHBondContact CE-OE1 3.34Å; K218-E225 WeakPolarHBondContact CE-OE2 3.45Å; K218-E225 IonicContact NZ-OE1 3.25Å; K218-E225 PolarHBondContact NZ-OE1 2.87Å; K218-E225 IonicContact NZ-OE2 2.81Å; K218-E225 PolarHBondContact NZ-OE2 2.91Å; A223-E225 PolarHBondContact O-N 3.43Å
226	G	70.8	Confident	63.2	Low	41 Å²	41	54.3 Å²	54.3	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	-169.5	-152	-174.9	0	0	0	0	0	113.8	C224	C224-G226 VanDerWaalsContact C-N 3.28Å; C224-G226 PolarHBondContact O-N 2.82Å
227	A	76	Confident	62.9	Low	61 Å²	61	57.5 Å²	57.5	50%	0.504	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	154.9	178.9	0	0	0	0	0	111.2	N214	N214-A227 CarbonylContact C-O 3.59Å; N214-A227 WeakPolarHBondContact CA-O 3.36Å; N214-A227 PolarHBondContact N-O 3.4Å; N214-A227 PolarHBondContact O-N 3.26Å
228	T	81.1	Confident	63	Low	16 Å²	16	59.6 Å²	59.6	10%	0.098	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158	176.6	60.4	0	0	0	0	109.6	S196 C197 L212 C224	S196-T228 WeakPolarHBondContact CA-O 3.26Å; S196-T228 WeakPolarHBondContact CB-O 3.36Å; C197-T228 PolarHBondContact N-OG1 3.26Å; C197-T228 WeakPolarHBondContact O-CB 3.19Å; C197-T228 PolarHBondContact O-OG1 2.84Å; L212-T228 VanDerWaalsContact O-CA 3.27Å; L212-T228 WeakPolarHBondContact O-CA 3.36Å; C224-T228 HydrophobicContact CB-CG2 3.74Å; C224-T228 VanDerWaalsContact SG-CG2 3.53Å
229	F	79.3	Confident	63.2	Low	4 Å²	4	52.7 Å²	52.7	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	146.4	172.9	46.3	-101.3	0	0	0	111.7	G176 K186 A195 L212 N214 C231	G176-F229 VanDerWaalsContact C-CZ 3.47Å; K186-F229 HydrophobicContact CB-CB 4.41Å; K186-F229 HydrophobicContact CD-CB 3.9Å; K186-F229 HydrophobicContact CD-CD1 3.93Å; K186-F229 HydrophobicContact CD-CD2 3.96Å; K186-F229 HydrophobicContact CD-CE1 4.46Å; K186-F229 HydrophobicContact CD-CE2 4.49Å; K186-F229 HydrophobicContact CD-CG 3.66Å; K186-F229 HydrophobicContact CG-CB 4.09Å; K186-F229 HydrophobicContact CG-CD2 3.7Å; K186-F229 HydrophobicContact CG-CE2 4.27Å; K186-F229 HydrophobicContact CG-CG 3.87Å; A195-F229 WeakPolarHBondContact O-CA 3.4Å; L212-F229 HydrophobicContact CB-CD2 4.2Å; L212-F229 HydrophobicContact CB-CE2 3.81Å; L212-F229 HydrophobicContact CB-CZ 4.4Å; L212-F229 HydrophobicContact CD1-CE2 4.21Å; L212-F229 HydrophobicContact CG-CE2 4.41Å; L212-F229 PolarHBondContact N-O 3.46Å; L212-F229 PolarHBondContact O-N 2.99Å; N214-F229 HydrophobicContact CB-CD1 4.35Å; N214-F229 HydrophobicContact CB-CE1 3.59Å; N214-F229 HydrophobicContact CB-CZ 4.36Å; F229-C231 WeakPolarHBondContact CD2-SG 3.38Å; F229-C231 WeakPolarHBondContact CE2-SG 3.28Å
230	C	75.3	Confident	63.5	Low	1 Å²	1	54 Å²	54	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.5	173.1	-60.4	0	0	0	0	110.7	K186 L187 A195 C205 Y209 D210	K186-C230 CarbonylContact C-O 3.35Å; K186-C230 WeakPolarHBondContact CA-O 3.34Å; L187-C230 HydrophobicContact CB-CB 3.77Å; L187-C230 HydrophobicContact CD2-CB 3.87Å; L187-C230 PolarHBondContact N-O 3.07Å; A195-C230 PolarHBondContact O-N 2.79Å; C205-C230 WeakPolarHBondContact CA-SG 3.19Å; C205-C230 HydrophobicContact CB-CB 3.82Å; C205-C230 WeakPolarHBondContact CB-SG 3.36Å; C205-C230 WeakPolarHBondContact SG-CA 3.04Å; C205-C230 WeakPolarHBondContact SG-CB 3.28Å; C205-C230 CovalentContact SG-SG 2.04Å; C205-C230 PolarHBondContact SG-SG 2.87Å; Y209-C230 HydrophobicContact CD1-CB 3.99Å; Y209-C230 HydrophobicContact CG-CB 4.33Å; D210-C230 CarbonylContact O-C 3.53Å; D210-C230 WeakPolarHBondContact O-CA 3.45Å
231	C	71.8	Confident	64.4	Low	3 Å²	3	53 Å²	53	2%	0.02	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.6	175.8	-78.3	0	0	0	0	111.4	C178 Y209 D210 L212 F229 S233	C178-C231 WeakPolarHBondContact CA-SG 2.99Å; C178-C231 HydrophobicContact CB-CB 3.62Å; C178-C231 WeakPolarHBondContact CB-SG 3.34Å; C178-C231 VanDerWaalsContact SG-CA 3.55Å; C178-C231 WeakPolarHBondContact SG-CB 3.28Å; C178-C231 CovalentContact SG-SG 2.03Å; C178-C231 PolarHBondContact SG-SG 3.18Å; Y209-C231 CarbonylContact C-O 3.54Å; Y209-C231 WeakPolarHBondContact CA-O 3.18Å; Y209-C231 WeakPolarHBondContact CB-O 3.35Å; Y209-C231 WeakPolarHBondContact CD1-O 3.46Å; D210-C231 PolarHBondContact N-O 3.32Å; D210-C231 PolarHBondContact O-N 3.18Å; L212-C231 HydrophobicContact CD1-CB 4.12Å; L212-C231 VanDerWaalsContact CD1-SG 3.53Å; L212-C231 HydrophobicContact CG-CB 4.21Å; F229-C231 WeakPolarHBondContact CD2-SG 3.38Å; F229-C231 WeakPolarHBondContact CE2-SG 3.28Å; C231-S233 PolarHBondContact O-N 3.28Å
232	P	61	Low	65.4	Low	26 Å²	26	45.5 Å²	45.5	17%	0.169	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.1	-168.5	-5.8	23.7	0	0	0	110.9	S185 Y209	S185-P232 WeakPolarHBondContact O-CD 3.27Å; S185-P232 WeakPolarHBondContact O-CG 2.99Å; Y209-P232 HydrophobicContact CD1-CB 4.17Å; Y209-P232 HydrophobicContact CD1-CG 4.27Å; Y209-P232 HydrophobicContact CE1-CB 3.81Å; Y209-P232 HydrophobicContact CE1-CG 3.68Å
233	S	54	Low	65.6	Low	21 Å²	21	47 Å²	47	15%	0.147	26%	0.264	C	S	.	.			trans	-61.3	157.8	156.9	-33.8	0	0	0	0	108.6	T208 Y209 D210 C231 G235	T208-S233 VanDerWaalsContact C-OG 3.26Å; T208-S233 WeakPolarHBondContact O-CA 3.35Å; T208-S233 WeakPolarHBondContact O-CB 3.13Å; T208-S233 PolarHBondContact O-N 2.78Å; T208-S233 PolarHBondContact O-OG 3.27Å; Y209-S233 VanDerWaalsContact CA-OG 3.32Å; Y209-S233 WeakPolarHBondContact CA-OG 2.98Å; Y209-S233 PolarHBondContact N-OG 3.04Å; D210-S233 WeakPolarHBondContact OD2-CB 3.49Å; D210-S233 PolarHBondContact OD2-OG 2.95Å; C231-S233 PolarHBondContact O-N 3.28Å; S233-G235 PolarHBondContact O-N 2.84Å
234	R	54.1	Low	65.5	Low	218 Å²	218	46 Å²	46	82%	0.823	25%	0.253	S	S	*	.			trans	-69.3	106.8	-163.8	-64.1	178.1	-177.8	170.5	2.7	112.3	C236	R234-C236 PolarHBondContact O-N 2.96Å
235	G	54.1	Low	64.8	Low	10 Å²	10	50.1 Å²	50.1	10%	0.103	28%	0.28	C	S	.	.	S	Bend	trans	-66.2	4.6	-177.4	0	0	0	0	0	117.2	S233	S233-G235 PolarHBondContact O-N 2.84Å
236	C	61.6	Low	63.6	Low	5 Å²	5	46.5 Å²	46.5	3%	0.034	27%	0.273	C	S	.	.	S	Bend	trans	-139.5	141.1	166.1	-72.2	0	0	0	0	108.9	R234 R238 C289	R234-C236 PolarHBondContact O-N 2.96Å; C236-R238 VanDerWaalsContact C-N 3.27Å; C236-R238 PolarHBondContact O-N 2.79Å; C236-C289 WeakPolarHBondContact CA-SG 3.27Å; C236-C289 HydrophobicContact CB-CB 3.8Å; C236-C289 WeakPolarHBondContact CB-SG 2.98Å; C236-C289 VanDerWaalsContact SG-CA 3.53Å; C236-C289 WeakPolarHBondContact SG-CB 2.99Å; C236-C289 CovalentContact SG-SG 2.04Å; C236-C289 PolarHBondContact SG-SG 3.42Å
237	P	55.9	Low	62	Low	89 Å²	89	49.5 Å²	49.5	58%	0.578	29%	0.287	S	S	*	.	S	Bend	trans	-60.9	-33.1	-178.2	-26	35.3	0	0	0	114.2
238	R	64.9	Low	59.9	Low	64 Å²	64	51.8 Å²	51.8	24%	0.242	29%	0.289	C	S	.	.	S	Bend	trans	-152.1	150.2	168.3	-155.6	179.8	-160.4	101.3	-1.8	108.5	C236 I295 N353 E359 F363	C236-R238 VanDerWaalsContact C-N 3.27Å; C236-R238 PolarHBondContact O-N 2.79Å; R238-I295 HydrophobicContact CB-CD1 3.96Å; R238-I295 HydrophobicContact CG-CD1 4.31Å; R238-N353 PolarHBondContact NH2-O 3.41Å; R238-E359 IonicContact CZ-OE1 3.28Å; R238-E359 IonicContact NH1-OE1 3.87Å; R238-E359 PolarHBondContact NH1-OE1 2.64Å; R238-E359 IonicContact NH2-OE1 2.9Å; R238-E359 PolarHBondContact NH2-OE1 2.58Å; R238-F363 HydrophobicContact CB-CE2 4.36Å; R238-F363 HydrophobicContact CB-CZ 4.34Å
239	G	63.8	Low	57.7	Low	17 Å²	17	55.9 Å²	55.9	18%	0.175	31%	0.314	C	S	.	.	S	Bend	trans	79.8	175.7	-175.5	0	0	0	0	0	114.7
240	Q	61.5	Low	55.4	Low	88 Å²	88	60.1 Å²	60.1	41%	0.411	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-94.6	144.6	173	-77	174.1	8.6	0	0	110.6	P290 F351	Q240-P290 VanDerWaalsContact O-CD 3.24Å; Q240-P290 WeakPolarHBondContact O-CD 3Å; Q240-F351 HydrophobicContact CB-CZ 4.4Å; Q240-F351 HydrophobicContact CG-CZ 3.96Å
241	P	66.4	Low	53.4	Low	13 Å²	13	71 Å²	71	8%	0.084	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-61.7	153.4	172.8	27.4	-34.4	0	0	0	111.1	Y243 R257 C288	P241-Y243 HydrophobicContact CG-CE2 4.15Å; P241-Y243 WeakPolarHBondContact O-CD2 3.03Å; P241-Y243 WeakPolarHBondContact O-CE2 3.39Å; P241-Y243 PolarHBondContact O-N 2.93Å; P241-R257 HydrophobicContact CB-CG 4.4Å; P241-R257 HydrophobicContact CG-CG 3.97Å; P241-C288 CarbonylContact C-O 3.57Å; P241-C288 VanDerWaalsContact CA-O 3.28Å; P241-C288 WeakPolarHBondContact CA-O 3.38Å
242	L	69.4	Low	51.7	Low	23 Å²	23	76.5 Å²	76.5	12%	0.12	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-62	135.1	170.2	-174.5	63.7	0	0	0	109.2	V258 D269 F272 C288	L242-V258 HydrophobicContact CB-CB 4.19Å; L242-V258 HydrophobicContact CB-CG2 4.24Å; L242-V258 HydrophobicContact CD2-CB 4.27Å; L242-V258 HydrophobicContact CD2-CG1 4.37Å; L242-V258 HydrophobicContact CD2-CG2 4.07Å; L242-V258 HydrophobicContact CG-CB 4.25Å; L242-V258 HydrophobicContact CG-CG2 3.85Å; L242-V258 PolarHBondContact O-N 3.47Å; L242-D269 HydrophobicContact CD2-CB 4.4Å; L242-F272 HydrophobicContact CB-CD1 3.69Å; L242-F272 HydrophobicContact CB-CE1 3.73Å; L242-F272 HydrophobicContact CB-CG 4.15Å; L242-F272 HydrophobicContact CB-CZ 4.22Å; L242-F272 HydrophobicContact CD1-CD2 4.38Å; L242-F272 HydrophobicContact CD1-CE1 4.45Å; L242-F272 HydrophobicContact CD1-CE2 4.04Å; L242-F272 HydrophobicContact CD1-CZ 4.08Å; L242-C288 HydrophobicContact CB-CB 3.89Å; L242-C288 HydrophobicContact CD2-CB 4.41Å; L242-C288 PolarHBondContact N-O 2.86Å
243	Y	63.1	Low	50.7	Low	75 Å²	75	78.3 Å²	78.3	29%	0.294	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-108.7	143.2	177.9	-74.7	-84.8	0	0	0	111.1	P241 P253 G255 S256 R257	P241-Y243 HydrophobicContact CG-CE2 4.15Å; P241-Y243 WeakPolarHBondContact O-CD2 3.03Å; P241-Y243 WeakPolarHBondContact O-CE2 3.39Å; P241-Y243 PolarHBondContact O-N 2.93Å; Y243-P253 HydrophobicContact CD1-CB 3.96Å; Y243-P253 HydrophobicContact CD2-CB 3.54Å; Y243-P253 HydrophobicContact CD2-CG 3.84Å; Y243-P253 HydrophobicContact CE1-CB 4.36Å; Y243-P253 HydrophobicContact CE2-CB 3.99Å; Y243-P253 HydrophobicContact CE2-CG 4.08Å; Y243-P253 HydrophobicContact CG-CB 3.51Å; Y243-P253 HydrophobicContact CG-CG 4.33Å; Y243-G255 VanDerWaalsContact CD1-O 3.27Å; Y243-G255 WeakPolarHBondContact CD1-O 3.44Å; Y243-S256 WeakPolarHBondContact CA-O 3.46Å; Y243-R257 HydrophobicContact CE1-CG 4.24Å
244	S	58.5	Low	50	Low	50 Å²	50	83.3 Å²	83.3	35%	0.35	44%	0.436	S	S	.	.			trans	-60.7	139.1	172.3	-67.9	0	0	0	0	110.6	G246 S256	S244-G246 PolarHBondContact O-N 3.33Å; S244-S256 PolarHBondContact N-O 3.2Å
245	P	51.9	Low	49.7	Very low	113 Å²	113	74 Å²	74	73%	0.734	41%	0.408	S	S	*	.			trans	-59	107.7	179.9	-25.4	34.9	0	0	0	112.4
246	G	41.9	Very low	49.7	Very low	38 Å²	38	77.8 Å²	77.8	39%	0.392	43%	0.434	S	S	.	.			trans	-105.7	163.7	173.5	0	0	0	0	0	111.8	S244 M248	S244-G246 PolarHBondContact O-N 3.33Å; G246-M248 PolarHBondContact O-N 2.96Å
247	S	35.6	Very low	49.8	Very low	104 Å²	104	80.8 Å²	80.8	73%	0.727	44%	0.444	S	S	*	.			trans	-59.2	125.3	-178.4	-170.4	0	0	0	0	112.1	T249	S247-T249 PolarHBondContact O-N 2.86Å
248	M	32.5	Very low	50.5	Low	110 Å²	110	78.3 Å²	78.3	54%	0.542	43%	0.427	S	S	.	.			trans	-85.5	107.4	-175.1	-75.4	-174.6	160.6	0	0	112.1	G246 G305 V307	G246-M248 PolarHBondContact O-N 2.96Å; M248-G305 WeakPolarHBondContact CE-O 3.01Å; M248-V307 HydrophobicContact CE-CG2 4.19Å; M248-V307 HydrophobicContact SD-CG2 3.84Å
249	T	35.3	Very low	50.6	Low	101 Å²	101	78.7 Å²	78.7	62%	0.62	44%	0.444	S	S	*	.	S	Bend	trans	-129.9	-14.9	164.2	58.4	0	0	0	0	113.3	S247 K254	S247-T249 PolarHBondContact O-N 2.86Å; T249-K254 PolarHBondContact OG1-NZ 3.19Å
250	D	30.3	Very low	50.8	Low	93 Å²	93	78.8 Å²	78.8	50%	0.497	44%	0.442	S	S	.	.	S	Bend	trans	-141.2	158.6	-168	-66.3	-83.3	0	0	0	111.6	I252 K254	D250-I252 HydrophobicContact CB-CB 4.42Å; D250-I252 PolarHBondContact O-N 2.84Å; D250-K254 VanDerWaalsContact OD2-CE 3.24Å; D250-K254 WeakPolarHBondContact OD2-CE 3.43Å; D250-K254 IonicContact OD2-NZ 3.26Å; D250-K254 PolarHBondContact OD2-NZ 2.03Å
251	R	34.4	Very low	51	Low	231 Å²	231	76.2 Å²	76.2	87%	0.872	43%	0.433	S	S	*	.	S	Bend	trans	-73.3	29.4	173.2	-60.3	-176.5	179.5	-174.4	-1	113.3
252	I	36.2	Very low	50.5	Low	117 Å²	117	79.9 Å²	79.9	60%	0.6	47%	0.465	S	S	*	.	S	Bend	trans	-131	120.8	-172.5	-56.5	175.9	0	0	0	107.9	D250 K254	D250-I252 HydrophobicContact CB-CB 4.42Å; D250-I252 PolarHBondContact O-N 2.84Å; I252-K254 PolarHBondContact O-N 3.16Å
253	P	38.7	Very low	49.7	Very low	65 Å²	65	84.2 Å²	84.2	42%	0.422	50%	0.497	S	S	.	.			trans	-64.5	100.1	174.7	-22	34	0	0	0	111.6	Y243 G255	Y243-P253 HydrophobicContact CD1-CB 3.96Å; Y243-P253 HydrophobicContact CD2-CB 3.54Å; Y243-P253 HydrophobicContact CD2-CG 3.84Å; Y243-P253 HydrophobicContact CE1-CB 4.36Å; Y243-P253 HydrophobicContact CE2-CB 3.99Å; Y243-P253 HydrophobicContact CE2-CG 4.08Å; Y243-P253 HydrophobicContact CG-CB 3.51Å; Y243-P253 HydrophobicContact CG-CG 4.33Å; P253-G255 PolarHBondContact O-N 2.03Å; P253-G255 VanDerWaalsContact O-N 3.09Å
254	K	39.9	Very low	49.3	Very low	125 Å²	125	85.6 Å²	85.6	54%	0.543	51%	0.506	S	S	.	.			trans	-78.3	23.6	176.6	-63	-179.5	-177.2	175.1	0	113.5	T249 D250 I252	T249-K254 PolarHBondContact OG1-NZ 3.19Å; D250-K254 VanDerWaalsContact OD2-CE 3.24Å; D250-K254 WeakPolarHBondContact OD2-CE 3.43Å; D250-K254 IonicContact OD2-NZ 3.26Å; D250-K254 PolarHBondContact OD2-NZ 2.03Å; I252-K254 PolarHBondContact O-N 3.16Å
255	G	48.7	Very low	49.4	Very low	23 Å²	23	88.4 Å²	88.4	24%	0.237	52%	0.521	C	S	.	.	S	Bend	trans	-107.8	165.3	-174.7	0	0	0	0	0	113.2	Y243 P253	Y243-G255 VanDerWaalsContact CD1-O 3.27Å; Y243-G255 WeakPolarHBondContact CD1-O 3.44Å; P253-G255 PolarHBondContact O-N 2.03Å; P253-G255 VanDerWaalsContact O-N 3.09Å
256	S	54	Low	50.2	Low	90 Å²	90	83.5 Å²	83.5	63%	0.629	49%	0.49	S	S	*	.			trans	-68.1	150.8	163.6	-45.8	0	0	0	0	110.4	Y243 S244	Y243-S256 WeakPolarHBondContact CA-O 3.46Å; S244-S256 PolarHBondContact N-O 3.2Å
257	R	63.8	Low	51	Low	68 Å²	68	88.1 Å²	88.1	26%	0.257	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-59.8	138.2	165.3	-61.2	177	-177.3	167.3	1.7	108.9	P241 Y243 A259 Y287	P241-R257 HydrophobicContact CB-CG 4.4Å; P241-R257 HydrophobicContact CG-CG 3.97Å; Y243-R257 HydrophobicContact CE1-CG 4.24Å; R257-A259 PolarHBondContact O-N 3.23Å; R257-A259 VanDerWaalsContact O-N 3.16Å; R257-Y287 HydrophobicContact CB-CD1 3.49Å; R257-Y287 VanDerWaalsContact CB-CD1 3.49Å; R257-Y287 HydrophobicContact CB-CE1 3.55Å; R257-Y287 HydrophobicContact CB-CG 4.49Å; R257-Y287 VanDerWaalsContact CD-CE1 3.47Å; R257-Y287 HydrophobicContact CG-CD1 4.25Å; R257-Y287 HydrophobicContact CG-CE1 4.16Å
258	V	69.1	Low	52.1	Low	36 Å²	36	93.2 Å²	93.2	22%	0.218	51%	0.507	C	S	.	.			trans	-74.5	106.8	174.1	177.3	0	0	0	0	108.6	L242 C288	L242-V258 HydrophobicContact CB-CB 4.19Å; L242-V258 HydrophobicContact CB-CG2 4.24Å; L242-V258 HydrophobicContact CD2-CB 4.27Å; L242-V258 HydrophobicContact CD2-CG1 4.37Å; L242-V258 HydrophobicContact CD2-CG2 4.07Å; L242-V258 HydrophobicContact CG-CB 4.25Å; L242-V258 HydrophobicContact CG-CG2 3.85Å; L242-V258 PolarHBondContact O-N 3.47Å; V258-C288 HydrophobicContact CB-CB 4.32Å; V258-C288 HydrophobicContact CG1-CB 4.33Å; V258-C288 PolarHBondContact O-N 3.31Å
259	A	67.4	Low	53.7	Low	73 Å²	73	89.4 Å²	89.4	60%	0.603	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	156.3	171.6	0	0	0	0	0	111.3	R257 N286	R257-A259 PolarHBondContact O-N 3.23Å; R257-A259 VanDerWaalsContact O-N 3.16Å; A259-N286 CarbonylContact C-O 3.57Å; A259-N286 VanDerWaalsContact CA-O 3.28Å; A259-N286 WeakPolarHBondContact CA-O 3.04Å
260	C	68.9	Low	55.3	Low	18 Å²	18	89.3 Å²	89.3	12%	0.122	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	175.9	175.6	55.3	0	0	0	0	110.6	C274 N286	C260-C274 HydrophobicContact CB-CB 3.84Å; C260-C274 WeakPolarHBondContact CB-SG 3.46Å; C260-C274 WeakPolarHBondContact SG-CA 3.45Å; C260-C274 WeakPolarHBondContact SG-CB 3.29Å; C260-C274 CovalentContact SG-SG 2.03Å; C260-C274 PolarHBondContact SG-SG 3.42Å; C260-N286 PolarHBondContact N-O 2.89Å; C260-N286 WeakPolarHBondContact O-CB 3.05Å; C260-N286 PolarHBondContact O-ND2 2.85Å; C260-N286 VanDerWaalsContact SG-C 3.58Å; C260-N286 VanDerWaalsContact SG-CB 3.57Å
261	S	64.4	Low	57.5	Low	34 Å²	34	87.3 Å²	87.3	24%	0.238	48%	0.482	C	S	.	.			trans	-122.9	156.5	171.7	61.7	0	0	0	0	109.7	S263 Q264	S261-S263 PolarHBondContact O-N 3.38Å; S261-Q264 PolarHBondContact O-N 2.04Å; S261-Q264 WeakPolarHBondContact OG-CB 3.42Å; S261-Q264 VanDerWaalsContact OG-CD 3.29Å; S261-Q264 VanDerWaalsContact OG-CG 3.26Å; S261-Q264 WeakPolarHBondContact OG-CG 3.46Å; S261-Q264 PolarHBondContact OG-OE1 3.25Å
262	A	56.1	Low	59.6	Low	90 Å²	90	76.3 Å²	76.3	74%	0.744	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.7	-176.6	0	0	0	0	0	114.2	V276	A262-V276 HydrophobicContact CB-CG2 4.48Å
263	S	52.4	Low	61.4	Low	114 Å²	114	73.1 Å²	73.1	80%	0.797	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-1.9	175.5	54.4	0	0	0	0	114.5	S261	S261-S263 PolarHBondContact O-N 3.38Å
264	Q	56.5	Low	63.3	Low	105 Å²	105	71.5 Å²	71.5	49%	0.491	41%	0.412	S	S	.	.			trans	-115.6	127	179.8	-71.4	174.5	-37.9	0	0	111.9	S261	S261-Q264 PolarHBondContact O-N 2.04Å; S261-Q264 WeakPolarHBondContact OG-CB 3.42Å; S261-Q264 VanDerWaalsContact OG-CD 3.29Å; S261-Q264 VanDerWaalsContact OG-CG 3.26Å; S261-Q264 WeakPolarHBondContact OG-CG 3.46Å; S261-Q264 PolarHBondContact OG-OE1 3.25Å
265	T	58.9	Low	64.8	Low	108 Å²	108	67.7 Å²	67.7	66%	0.663	40%	0.396	S	S	*	.			trans	-64.6	160.1	167.8	50.8	0	0	0	0	111.2	I267	T265-I267 VanDerWaalsContact C-N 3.28Å; T265-I267 WeakPolarHBondContact O-CG1 3.23Å; T265-I267 PolarHBondContact O-N 3.5Å
266	C	69.7	Low	65.5	Low	10 Å²	10	69.4 Å²	69.4	7%	0.068	40%	0.402	C	S	.	.			trans	-69.9	85.3	172.9	-69.3	0	0	0	0	110.2	R268 D269 F272 C288	C266-R268 PolarHBondContact O-N 2.92Å; C266-D269 PolarHBondContact O-N 3.23Å; C266-D269 VanDerWaalsContact O-N 3.1Å; C266-F272 HydrophobicContact CB-CB 3.89Å; C266-C288 VanDerWaalsContact CA-SG 3.58Å; C266-C288 HydrophobicContact CB-CB 4.03Å; C266-C288 WeakPolarHBondContact CB-SG 3.44Å; C266-C288 VanDerWaalsContact SG-CA 3.5Å; C266-C288 WeakPolarHBondContact SG-CB 3.49Å; C266-C288 CovalentContact SG-SG 2.04Å; C266-C288 PolarHBondContact SG-SG 2.85Å
267	I	58.4	Low	65.6	Low	136 Å²	136	66 Å²	66	70%	0.697	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-23.8	-161.3	-51.2	-175.6	0	0	0	114.5	T265	T265-I267 VanDerWaalsContact C-N 3.28Å; T265-I267 WeakPolarHBondContact O-CG1 3.23Å; T265-I267 PolarHBondContact O-N 3.5Å
268	R	57.8	Low	64.6	Low	211 Å²	211	71.1 Å²	71.1	80%	0.796	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-11.2	-174	-63.4	-171.3	179	-144.9	-0.5	115.7	C266	C266-R268 PolarHBondContact O-N 2.92Å
269	D	66	Low	63.2	Low	29 Å²	29	70.7 Å²	70.7	16%	0.155	40%	0.401	C	S	.	.			trans	-154.2	117.3	178.9	-166.4	-13.3	0	0	0	111.6	L242 C266 N271 F272	L242-D269 HydrophobicContact CD2-CB 4.4Å; C266-D269 PolarHBondContact O-N 3.23Å; C266-D269 VanDerWaalsContact O-N 3.1Å; D269-N271 PolarHBondContact O-N 2.91Å; D269-N271 WeakPolarHBondContact OD1-CB 3.29Å; D269-N271 PolarHBondContact OD1-N 3.49Å; D269-N271 PolarHBondContact OD1-ND2 2.97Å; D269-F272 HydrophobicContact CB-CD2 3.79Å; D269-F272 HydrophobicContact CB-CE2 4.4Å; D269-F272 PolarHBondContact O-N 2.04Å; D269-F272 VanDerWaalsContact O-N 3.17Å; D269-F272 WeakPolarHBondContact OD2-CD2 3.34Å; D269-F272 VanDerWaalsContact OD2-CE2 3.26Å; D269-F272 WeakPolarHBondContact OD2-CE2 3.23Å
270	S	70.8	Confident	61.4	Low	100 Å²	100	71.6 Å²	71.6	70%	0.699	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.8	176.9	49	0	0	0	0	112.8	F272 R291	S270-F272 PolarHBondContact O-N 2.94Å; S270-R291 WeakPolarHBondContact O-CD 3.11Å; S270-R291 PolarHBondContact O-NE 2.79Å
271	N	75.7	Confident	59.6	Low	50 Å²	50	74.7 Å²	74.7	27%	0.267	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.3	175.7	-67.3	-56.5	0	0	0	113.8	D269 R291 F294	D269-N271 PolarHBondContact O-N 2.91Å; D269-N271 WeakPolarHBondContact OD1-CB 3.29Å; D269-N271 PolarHBondContact OD1-N 3.49Å; D269-N271 PolarHBondContact OD1-ND2 2.97Å; N271-R291 WeakPolarHBondContact O-CB 3.3Å; N271-R291 WeakPolarHBondContact O-CG 3.38Å; N271-R291 PolarHBondContact O-N 2.94Å; N271-F294 HydrophobicContact CB-CB 3.81Å; N271-F294 HydrophobicContact CB-CD1 3.64Å; N271-F294 HydrophobicContact CB-CD2 3.8Å; N271-F294 HydrophobicContact CB-CE1 4.06Å; N271-F294 HydrophobicContact CB-CE2 4.19Å; N271-F294 HydrophobicContact CB-CG 3.51Å; N271-F294 HydrophobicContact CB-CZ 4.3Å; N271-F294 WeakPolarHBondContact OD1-CD2 3.47Å
272	F	78.9	Confident	58	Low	1 Å²	1	76.2 Å²	76.2	0%	0.004	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	152.6	-177.7	-69.1	-104.2	0	0	0	112.6	L242 C266 D269 S270 C288 C289 P290 R291 F294 P303	L242-F272 HydrophobicContact CB-CD1 3.69Å; L242-F272 HydrophobicContact CB-CE1 3.73Å; L242-F272 HydrophobicContact CB-CG 4.15Å; L242-F272 HydrophobicContact CB-CZ 4.22Å; L242-F272 HydrophobicContact CD1-CD2 4.38Å; L242-F272 HydrophobicContact CD1-CE1 4.45Å; L242-F272 HydrophobicContact CD1-CE2 4.04Å; L242-F272 HydrophobicContact CD1-CZ 4.08Å; C266-F272 HydrophobicContact CB-CB 3.89Å; D269-F272 HydrophobicContact CB-CD2 3.79Å; D269-F272 HydrophobicContact CB-CE2 4.4Å; D269-F272 PolarHBondContact O-N 2.04Å; D269-F272 VanDerWaalsContact O-N 3.17Å; D269-F272 WeakPolarHBondContact OD2-CD2 3.34Å; D269-F272 VanDerWaalsContact OD2-CE2 3.26Å; D269-F272 WeakPolarHBondContact OD2-CE2 3.23Å; S270-F272 PolarHBondContact O-N 2.94Å; F272-C288 HydrophobicContact CB-CB 4.22Å; F272-C288 HydrophobicContact CD1-CB 4.48Å; F272-C288 WeakPolarHBondContact CD1-O 2.97Å; F272-C289 CarbonylContact C-O 3.53Å; F272-C289 VanDerWaalsContact CA-O 3.24Å; F272-C289 WeakPolarHBondContact CA-O 3.09Å; F272-C289 WeakPolarHBondContact CD1-O 3.17Å; F272-P290 HydrophobicContact CD1-CB 4.16Å; F272-P290 HydrophobicContact CE1-CB 3.8Å; F272-P290 HydrophobicContact CE1-CG 4.22Å; F272-P290 HydrophobicContact CZ-CB 4.13Å; F272-R291 VanDerWaalsContact O-CZ 3.32Å; F272-R291 PolarHBondContact O-NE 2.82Å; F272-R291 PolarHBondContact O-NH2 2.93Å; F272-F294 HydrophobicContact CE2-CD1 4.2Å; F272-F294 AromaticContact CE2-CE1 3.8Å; F272-F294 HydrophobicContact CE2-CE1 3.8Å; F272-F294 HydrophobicContact CZ-CD1 4.45Å; F272-F294 HydrophobicContact CZ-CE1 4.01Å; F272-P303 HydrophobicContact CZ-CG 4.28Å
273	F	74.4	Confident	57.1	Low	50 Å²	50	75.6 Å²	75.6	22%	0.219	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.2	174.4	75.8	-81	0	0	0	110.3	H275 C288 C289 P290 R291	F273-H275 HydrophobicContact CD2-CB 4.48Å; F273-H275 HydrophobicContact CE2-CB 3.81Å; F273-H275 HydrophobicContact CZ-CB 4.21Å; F273-H275 PolarHBondContact O-N 2.93Å; F273-C288 CarbonylContact O-C 3.53Å; F273-C288 WeakPolarHBondContact O-CA 3.5Å; F273-C289 HydrophobicContact CD1-CB 4.35Å; F273-C289 WeakPolarHBondContact CD1-O 3.4Å; F273-C289 HydrophobicContact CE1-CB 3.78Å; F273-C289 HydrophobicContact CZ-CB 3.97Å; F273-C289 PolarHBondContact N-O 3.26Å; F273-C289 PolarHBondContact O-N 3Å; F273-P290 WeakPolarHBondContact CE1-O 3.46Å; F273-R291 HydrophobicContact CB-CG 3.99Å; F273-R291 HydrophobicContact CD1-CG 3.93Å; F273-R291 HydrophobicContact CG-CG 4.41Å
274	C	76.8	Confident	57	Low	30 Å²	30	74.1 Å²	74.1	20%	0.203	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.9	176.7	-168.9	0	0	0	0	109.8	C260 N286	C260-C274 HydrophobicContact CB-CB 3.84Å; C260-C274 WeakPolarHBondContact CB-SG 3.46Å; C260-C274 WeakPolarHBondContact SG-CA 3.45Å; C260-C274 WeakPolarHBondContact SG-CB 3.29Å; C260-C274 CovalentContact SG-SG 2.03Å; C260-C274 PolarHBondContact SG-SG 3.42Å; C274-N286 WeakPolarHBondContact SG-CB 3.18Å
275	H	71.9	Confident	56.9	Low	45 Å²	45	74 Å²	74	21%	0.208	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.8	174.8	-174.6	57	0	0	0	109.6	F273 N286 Y287 C289	F273-H275 HydrophobicContact CD2-CB 4.48Å; F273-H275 HydrophobicContact CE2-CB 3.81Å; F273-H275 HydrophobicContact CZ-CB 4.21Å; F273-H275 PolarHBondContact O-N 2.93Å; H275-N286 CarbonylContact O-C 3.56Å; H275-N286 WeakPolarHBondContact O-CA 3.48Å; H275-Y287 PolarHBondContact N-O 3.49Å; H275-Y287 PolarHBondContact O-N 3.1Å; H275-C289 HydrophobicContact CB-CB 4.03Å; H275-C289 VanDerWaalsContact CB-SG 3.56Å
276	V	64.1	Low	57.4	Low	59 Å²	59	69.7 Å²	69.7	36%	0.358	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105.6	-178.9	177.5	0	0	0	0	109.2	A262 Q278 V284 N286	A262-V276 HydrophobicContact CB-CG2 4.48Å; V276-Q278 HydrophobicContact CG1-CG 4.41Å; V276-Q278 PolarHBondContact O-N 3.01Å; V276-V284 HydrophobicContact CG1-CG1 3.86Å; V276-N286 WeakPolarHBondContact CA-OD1 3.3Å; V276-N286 WeakPolarHBondContact CG1-OD1 3.25Å; V276-N286 WeakPolarHBondContact CG2-OD1 3.25Å
277	N	54.7	Low	57.6	Low	19 Å²	19	70.6 Å²	70.6	10%	0.102	42%	0.415	C	S	.	.			trans	-80.2	111.2	169.5	-62.8	-75.4	0	0	0	108.9	T208 V279 E285	T208-N277 HydrophobicContact CG2-CB 4.27Å; N277-V279 PolarHBondContact O-N 3.36Å; N277-E285 WeakPolarHBondContact CB-O 3.43Å; N277-E285 PolarHBondContact ND2-O 2.87Å
278	Q	43.1	Very low	58.4	Low	175 Å²	175	64.1 Å²	64.1	82%	0.818	38%	0.382	S	S	*	.			trans	-77.4	101.9	169.2	-70	-147.8	1.4	0	0	110	V276	V276-Q278 HydrophobicContact CG1-CG 4.41Å; V276-Q278 PolarHBondContact O-N 3.01Å
279	V	39.3	Very low	59.2	Low	28 Å²	28	54.1 Å²	54.1	17%	0.17	34%	0.344	C	S	.	.			trans	-85.5	119.1	175.5	-161.8	0	0	0	0	108.7	P207 N277 G281 G282 S283	P207-V279 HydrophobicContact CB-CG1 4.45Å; P207-V279 HydrophobicContact CG-CG1 3.83Å; N277-V279 PolarHBondContact O-N 3.36Å; V279-G281 PolarHBondContact O-N 3.38Å; V279-G282 PolarHBondContact O-N 3.15Å; V279-G282 VanDerWaalsContact O-N 3.14Å; V279-S283 VanDerWaalsContact CB-O 3.31Å; V279-S283 WeakPolarHBondContact CB-O 3.24Å; V279-S283 WeakPolarHBondContact CG2-O 3.27Å
280	A	30	Very low	59.6	Low	91 Å²	91	52.8 Å²	52.8	75%	0.752	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	103.3	169.8	0	0	0	0	0	109.3	P207	P207-A280 HydrophobicContact CG-CB 4.17Å
281	G	32.5	Very low	59.9	Low	83 Å²	83	52.4 Å²	52.4	86%	0.856	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.4	-18.6	-169.8	0	0	0	0	0	114.5	V279	V279-G281 PolarHBondContact O-N 3.38Å
282	G	30.1	Very low	59.9	Low	66 Å²	66	52.3 Å²	52.3	68%	0.68	32%	0.322	S	S	*	.	S	Bend	trans	95.3	1	166.5	0	0	0	0	0	116.9	V279	V279-G282 PolarHBondContact O-N 3.15Å; V279-G282 VanDerWaalsContact O-N 3.14Å
283	S	38.2	Very low	59.9	Low	77 Å²	77	55 Å²	55	54%	0.538	34%	0.342	S	S	.	.			trans	-84	142.5	159.9	53.7	0	0	0	0	110	V279	V279-S283 VanDerWaalsContact CB-O 3.31Å; V279-S283 WeakPolarHBondContact CB-O 3.24Å; V279-S283 WeakPolarHBondContact CG2-O 3.27Å
284	V	49	Very low	60.3	Low	83 Å²	83	52.7 Å²	52.7	50%	0.503	33%	0.331	S	S	.	.			trans	-127.2	93.3	-174	-166	0	0	0	0	110.2	V276 N286	V276-V284 HydrophobicContact CG1-CG1 3.86Å; V284-N286 WeakPolarHBondContact CG1-OD1 3.27Å
285	E	54.3	Low	60.6	Low	103 Å²	103	51.3 Å²	51.3	48%	0.481	32%	0.322	S	S	.	.			trans	-88.8	104	174.4	-70	-161.9	154.1	0	0	111.2	N277 Y287	N277-E285 WeakPolarHBondContact CB-O 3.43Å; N277-E285 PolarHBondContact ND2-O 2.87Å; E285-Y287 HydrophobicContact CB-CE2 3.87Å; E285-Y287 VanDerWaalsContact CD-OH 3.29Å; E285-Y287 PolarHBondContact OE2-OH 3.42Å
286	N	69.7	Low	61.2	Low	17 Å²	17	49.3 Å²	49.3	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.5	175.1	-27.1	-84	0	0	0	110.3	A259 C260 C274 H275 V276 V284	A259-N286 CarbonylContact C-O 3.57Å; A259-N286 VanDerWaalsContact CA-O 3.28Å; A259-N286 WeakPolarHBondContact CA-O 3.04Å; C260-N286 PolarHBondContact N-O 2.89Å; C260-N286 WeakPolarHBondContact O-CB 3.05Å; C260-N286 PolarHBondContact O-ND2 2.85Å; C260-N286 VanDerWaalsContact SG-C 3.58Å; C260-N286 VanDerWaalsContact SG-CB 3.57Å; C274-N286 WeakPolarHBondContact SG-CB 3.18Å; H275-N286 CarbonylContact O-C 3.56Å; H275-N286 WeakPolarHBondContact O-CA 3.48Å; V276-N286 WeakPolarHBondContact CA-OD1 3.3Å; V276-N286 WeakPolarHBondContact CG1-OD1 3.25Å; V276-N286 WeakPolarHBondContact CG2-OD1 3.25Å; V284-N286 WeakPolarHBondContact CG1-OD1 3.27Å
287	Y	73.9	Confident	62.1	Low	29 Å²	29	47.3 Å²	47.3	11%	0.114	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146	-178.9	-65.7	-69.5	0	0	0	111.6	R257 H275 E285 C289	R257-Y287 HydrophobicContact CB-CD1 3.49Å; R257-Y287 VanDerWaalsContact CB-CD1 3.49Å; R257-Y287 HydrophobicContact CB-CE1 3.55Å; R257-Y287 HydrophobicContact CB-CG 4.49Å; R257-Y287 VanDerWaalsContact CD-CE1 3.47Å; R257-Y287 HydrophobicContact CG-CD1 4.25Å; R257-Y287 HydrophobicContact CG-CE1 4.16Å; H275-Y287 PolarHBondContact N-O 3.49Å; H275-Y287 PolarHBondContact O-N 3.1Å; E285-Y287 HydrophobicContact CB-CE2 3.87Å; E285-Y287 VanDerWaalsContact CD-OH 3.29Å; E285-Y287 PolarHBondContact OE2-OH 3.42Å; Y287-C289 PolarHBondContact O-N 2.77Å
288	C	76	Confident	63.4	Low	1 Å²	1	48.8 Å²	48.8	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	106.9	172.2	-78.1	0	0	0	0	110.8	P241 L242 V258 C266 F272 F273	P241-C288 CarbonylContact C-O 3.57Å; P241-C288 VanDerWaalsContact CA-O 3.28Å; P241-C288 WeakPolarHBondContact CA-O 3.38Å; L242-C288 HydrophobicContact CB-CB 3.89Å; L242-C288 HydrophobicContact CD2-CB 4.41Å; L242-C288 PolarHBondContact N-O 2.86Å; V258-C288 HydrophobicContact CB-CB 4.32Å; V258-C288 HydrophobicContact CG1-CB 4.33Å; V258-C288 PolarHBondContact O-N 3.31Å; C266-C288 VanDerWaalsContact CA-SG 3.58Å; C266-C288 HydrophobicContact CB-CB 4.03Å; C266-C288 WeakPolarHBondContact CB-SG 3.44Å; C266-C288 VanDerWaalsContact SG-CA 3.5Å; C266-C288 WeakPolarHBondContact SG-CB 3.49Å; C266-C288 CovalentContact SG-SG 2.04Å; C266-C288 PolarHBondContact SG-SG 2.85Å; F272-C288 HydrophobicContact CB-CB 4.22Å; F272-C288 HydrophobicContact CD1-CB 4.48Å; F272-C288 WeakPolarHBondContact CD1-O 2.97Å; F273-C288 CarbonylContact O-C 3.53Å; F273-C288 WeakPolarHBondContact O-CA 3.5Å
289	C	74.8	Confident	64.9	Low	0 Å²	0	43.6 Å²	43.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	150.7	177.8	-67.3	0	0	0	0	111.4	C236 F272 F273 H275 Y287	C236-C289 WeakPolarHBondContact CA-SG 3.27Å; C236-C289 HydrophobicContact CB-CB 3.8Å; C236-C289 WeakPolarHBondContact CB-SG 2.98Å; C236-C289 VanDerWaalsContact SG-CA 3.53Å; C236-C289 WeakPolarHBondContact SG-CB 2.99Å; C236-C289 CovalentContact SG-SG 2.04Å; C236-C289 PolarHBondContact SG-SG 3.42Å; F272-C289 CarbonylContact C-O 3.53Å; F272-C289 VanDerWaalsContact CA-O 3.24Å; F272-C289 WeakPolarHBondContact CA-O 3.09Å; F272-C289 WeakPolarHBondContact CD1-O 3.17Å; F273-C289 HydrophobicContact CD1-CB 4.35Å; F273-C289 WeakPolarHBondContact CD1-O 3.4Å; F273-C289 HydrophobicContact CE1-CB 3.78Å; F273-C289 HydrophobicContact CZ-CB 3.97Å; F273-C289 PolarHBondContact N-O 3.26Å; F273-C289 PolarHBondContact O-N 3Å; H275-C289 HydrophobicContact CB-CB 4.03Å; H275-C289 VanDerWaalsContact CB-SG 3.56Å; Y287-C289 PolarHBondContact O-N 2.77Å
290	P	73.9	Confident	66.7	Low	2 Å²	2	42.2 Å²	42.2	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134	-175.5	26.3	-30.7	0	0	0	110.8	Q240 F272 F273 F294 I295	Q240-P290 VanDerWaalsContact O-CD 3.24Å; Q240-P290 WeakPolarHBondContact O-CD 3Å; F272-P290 HydrophobicContact CD1-CB 4.16Å; F272-P290 HydrophobicContact CE1-CB 3.8Å; F272-P290 HydrophobicContact CE1-CG 4.22Å; F272-P290 HydrophobicContact CZ-CB 4.13Å; F273-P290 WeakPolarHBondContact CE1-O 3.46Å; P290-F294 HydrophobicContact CB-CD1 3.78Å; P290-F294 HydrophobicContact CB-CE1 4.46Å; P290-I295 HydrophobicContact CB-CD1 4.45Å; P290-I295 HydrophobicContact CB-CG1 4.31Å; P290-I295 HydrophobicContact CG-CD1 4.2Å; P290-I295 HydrophobicContact CG-CG1 4.4Å
291	R	76.3	Confident	68.6	Low	91 Å²	91	37.9 Å²	37.9	34%	0.343	24%	0.24	S	C	.	.			trans	-66.2	153.5	-178.4	-69.9	174.8	-171.9	-87.7	-9.9	111.4	S270 N271 F272 F273 S293 F294 I295	S270-R291 WeakPolarHBondContact O-CD 3.11Å; S270-R291 PolarHBondContact O-NE 2.79Å; N271-R291 WeakPolarHBondContact O-CB 3.3Å; N271-R291 WeakPolarHBondContact O-CG 3.38Å; N271-R291 PolarHBondContact O-N 2.94Å; F272-R291 VanDerWaalsContact O-CZ 3.32Å; F272-R291 PolarHBondContact O-NE 2.82Å; F272-R291 PolarHBondContact O-NH2 2.93Å; F273-R291 HydrophobicContact CB-CG 3.99Å; F273-R291 HydrophobicContact CD1-CG 3.93Å; F273-R291 HydrophobicContact CG-CG 4.41Å; R291-S293 WeakPolarHBondContact CB-OG 3.41Å; R291-S293 PolarHBondContact O-N 3.48Å; R291-F294 PolarHBondContact O-N 3.42Å; R291-I295 PolarHBondContact O-N 3.44Å
292	P	76.5	Confident	70.2	Confident	48 Å²	48	37.2 Å²	37.2	31%	0.312	22%	0.216	S	C	.	.	H	α-helix	trans	-51.5	-39.9	167.4	-27.1	35.4	0	0	0	112.7	F294 I295 C296 F363	P292-F294 VanDerWaalsContact C-N 3.26Å; P292-F294 PolarHBondContact O-N 2.94Å; P292-I295 PolarHBondContact O-N 2.76Å; P292-C296 WeakPolarHBondContact O-CB 3.06Å; P292-C296 PolarHBondContact O-N 2.83Å; P292-C296 PolarHBondContact O-SG 2.86Å; P292-F363 HydrophobicContact CB-CD1 4.43Å; P292-F363 HydrophobicContact CB-CE1 3.85Å; P292-F363 HydrophobicContact CB-CZ 4.04Å; P292-F363 HydrophobicContact CG-CE1 4.47Å; P292-F363 HydrophobicContact CG-CZ 4.17Å
293	S	78.6	Confident	71.5	Confident	58 Å²	58	36.6 Å²	36.6	41%	0.406	20%	0.2	S	C	.	.	H	α-helix	trans	-58.6	-32.7	175.4	59	0	0	0	0	114.2	R291	R291-S293 WeakPolarHBondContact CB-OG 3.41Å; R291-S293 PolarHBondContact O-N 3.48Å
294	F	83.4	Confident	72.2	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-84.6	-36.6	176.3	-177	-137.8	0	0	0	111.7	N271 F272 P290 R291 P292 C296 S297 E299 G301 L302	N271-F294 HydrophobicContact CB-CB 3.81Å; N271-F294 HydrophobicContact CB-CD1 3.64Å; N271-F294 HydrophobicContact CB-CD2 3.8Å; N271-F294 HydrophobicContact CB-CE1 4.06Å; N271-F294 HydrophobicContact CB-CE2 4.19Å; N271-F294 HydrophobicContact CB-CG 3.51Å; N271-F294 HydrophobicContact CB-CZ 4.3Å; N271-F294 WeakPolarHBondContact OD1-CD2 3.47Å; F272-F294 HydrophobicContact CE2-CD1 4.2Å; F272-F294 AromaticContact CE2-CE1 3.8Å; F272-F294 HydrophobicContact CE2-CE1 3.8Å; F272-F294 HydrophobicContact CZ-CD1 4.45Å; F272-F294 HydrophobicContact CZ-CE1 4.01Å; P290-F294 HydrophobicContact CB-CD1 3.78Å; P290-F294 HydrophobicContact CB-CE1 4.46Å; R291-F294 PolarHBondContact O-N 3.42Å; P292-F294 VanDerWaalsContact C-N 3.26Å; P292-F294 PolarHBondContact O-N 2.94Å; F294-C296 VanDerWaalsContact C-N 3.31Å; F294-C296 PolarHBondContact O-N 2.94Å; F294-S297 VanDerWaalsContact O-CB 3.31Å; F294-S297 WeakPolarHBondContact O-CB 2.99Å; F294-S297 PolarHBondContact O-N 2.82Å; F294-S297 PolarHBondContact O-OG 3.32Å; F294-E299 HydrophobicContact CD2-CB 4.3Å; F294-E299 HydrophobicContact CE2-CB 3.68Å; F294-E299 HydrophobicContact CE2-CG 4.31Å; F294-E299 HydrophobicContact CZ-CB 4.49Å; F294-G301 PolarHBondContact O-N 3.36Å; F294-L302 VanDerWaalsContact CZ-O 3.24Å; F294-L302 WeakPolarHBondContact CZ-O 3.44Å
295	I	81.6	Confident	72.1	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-35.4	175.9	-71.8	166.5	0	0	0	111.9	R238 P290 R291 P292 G300 F351 N352 F354 F363	R238-I295 HydrophobicContact CB-CD1 3.96Å; R238-I295 HydrophobicContact CG-CD1 4.31Å; P290-I295 HydrophobicContact CB-CD1 4.45Å; P290-I295 HydrophobicContact CB-CG1 4.31Å; P290-I295 HydrophobicContact CG-CD1 4.2Å; P290-I295 HydrophobicContact CG-CG1 4.4Å; R291-I295 PolarHBondContact O-N 3.44Å; P292-I295 PolarHBondContact O-N 2.76Å; I295-G300 CarbonylContact O-C 3.45Å; I295-G300 WeakPolarHBondContact O-CA 3.32Å; I295-F351 HydrophobicContact CG1-CB 4.17Å; I295-F351 HydrophobicContact CG2-CB 3.91Å; I295-F351 WeakPolarHBondContact CG2-O 3.33Å; I295-N352 VanDerWaalsContact O-CB 3.23Å; I295-N352 WeakPolarHBondContact O-CB 3.36Å; I295-F354 HydrophobicContact CG2-CZ 4.4Å; I295-F363 HydrophobicContact CB-CE1 3.86Å; I295-F363 HydrophobicContact CB-CZ 4.32Å; I295-F363 HydrophobicContact CD1-CE1 4.22Å; I295-F363 HydrophobicContact CD1-CZ 3.79Å; I295-F363 HydrophobicContact CG2-CD1 4.41Å; I295-F363 HydrophobicContact CG2-CE1 3.54Å; I295-F363 HydrophobicContact CG2-CZ 4.11Å
296	C	84.6	Confident	71.5	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.02	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	15	177.8	-48.1	0	0	0	0	113.5	P292 F294 Y332 T334 F363 C364 I367	P292-C296 WeakPolarHBondContact O-CB 3.06Å; P292-C296 PolarHBondContact O-N 2.83Å; P292-C296 PolarHBondContact O-SG 2.86Å; F294-C296 VanDerWaalsContact C-N 3.31Å; F294-C296 PolarHBondContact O-N 2.94Å; C296-Y332 HydrophobicContact CB-CD1 3.94Å; C296-Y332 HydrophobicContact CB-CG 4.21Å; C296-T334 VanDerWaalsContact O-CG2 3.26Å; C296-T334 WeakPolarHBondContact O-CG2 3.17Å; C296-F363 VanDerWaalsContact SG-CD1 3.59Å; C296-C364 HydrophobicContact CB-CB 3.71Å; C296-C364 WeakPolarHBondContact CB-SG 3.49Å; C296-C364 WeakPolarHBondContact SG-CA 3.25Å; C296-C364 WeakPolarHBondContact SG-CB 3.04Å; C296-C364 CovalentContact SG-SG 2.03Å; C296-C364 PolarHBondContact SG-SG 3.43Å; C296-I367 HydrophobicContact CB-CD1 3.43Å; C296-I367 VanDerWaalsContact CB-CD1 3.43Å
297	S	83	Confident	69.8	Low	17 Å²	17	39 Å²	39	12%	0.119	23%	0.232	C	C	.	.	S	Bend	trans	-83.6	-175.3	178.3	70.9	0	0	0	0	112.2	F294 E299 G300 N352	F294-S297 VanDerWaalsContact O-CB 3.31Å; F294-S297 WeakPolarHBondContact O-CB 2.99Å; F294-S297 PolarHBondContact O-N 2.82Å; F294-S297 PolarHBondContact O-OG 3.32Å; S297-E299 VanDerWaalsContact CB-OE2 3.23Å; S297-E299 WeakPolarHBondContact CB-OE2 3.37Å; S297-E299 PolarHBondContact O-N 2.82Å; S297-E299 WeakPolarHBondContact OG-CB 3.46Å; S297-E299 PolarHBondContact OG-N 2.95Å; S297-E299 VanDerWaalsContact OG-N 3.15Å; S297-E299 PolarHBondContact OG-OE2 2.03Å; S297-E299 VanDerWaalsContact OG-OE2 3.04Å; S297-G300 PolarHBondContact O-N 3.43Å; S297-G300 PolarHBondContact OG-N 2.86Å; S297-N352 PolarHBondContact O-ND2 2.85Å
298	Q	82.2	Confident	67.9	Low	51 Å²	51	43.8 Å²	43.8	24%	0.238	27%	0.266	C	S	.	.	S	Bend	trans	-67	-30.5	170.9	-166.6	71.4	26.3	0	0	111.1	G300 V311 P312 P313 T334	Q298-G300 VanDerWaalsContact C-N 3.32Å; Q298-V311 HydrophobicContact CB-CG1 4.22Å; Q298-V311 HydrophobicContact CG-CG1 3.55Å; Q298-P312 PolarHBondContact NE2-O 3.49Å; Q298-P313 PolarHBondContact NE2-O 2.8Å; Q298-T334 PolarHBondContact OE1-OG1 2.87Å
299	E	75.7	Confident	66	Low	65 Å²	65	52.6 Å²	52.6	30%	0.304	30%	0.301	S	S	.	.	S	Bend	trans	-80	-14.2	-179.6	-59.6	81.9	171.1	0	0	112.5	F294 S297 G301 L302 T304	F294-E299 HydrophobicContact CD2-CB 4.3Å; F294-E299 HydrophobicContact CE2-CB 3.68Å; F294-E299 HydrophobicContact CE2-CG 4.31Å; F294-E299 HydrophobicContact CZ-CB 4.49Å; S297-E299 VanDerWaalsContact CB-OE2 3.23Å; S297-E299 WeakPolarHBondContact CB-OE2 3.37Å; S297-E299 PolarHBondContact O-N 2.82Å; S297-E299 WeakPolarHBondContact OG-CB 3.46Å; S297-E299 PolarHBondContact OG-N 2.95Å; S297-E299 VanDerWaalsContact OG-N 3.15Å; S297-E299 PolarHBondContact OG-OE2 2.03Å; S297-E299 VanDerWaalsContact OG-OE2 3.04Å; E299-G301 PolarHBondContact O-N 3.03Å; E299-G301 VanDerWaalsContact O-N 3.09Å; E299-L302 PolarHBondContact O-N 3.04Å; E299-L302 VanDerWaalsContact O-N 3.16Å; E299-T304 HydrophobicContact CG-CG2 4.25Å
300	G	76.4	Confident	64.6	Low	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	25.5	172.4	0	0	0	0	0	115.7	I295 S297 Q298 F351	I295-G300 CarbonylContact O-C 3.45Å; I295-G300 WeakPolarHBondContact O-CA 3.32Å; S297-G300 PolarHBondContact O-N 3.43Å; S297-G300 PolarHBondContact OG-N 2.86Å; Q298-G300 VanDerWaalsContact C-N 3.32Å; G300-F351 WeakPolarHBondContact O-CA 3.19Å; G300-F351 WeakPolarHBondContact O-CB 3.21Å; G300-F351 PolarHBondContact O-N 3Å
301	G	70.2	Confident	63.4	Low	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	8.9	179.4	0	0	0	0	0	115.6	F294 E299 F351	F294-G301 PolarHBondContact O-N 3.36Å; E299-G301 PolarHBondContact O-N 3.03Å; E299-G301 VanDerWaalsContact O-N 3.09Å; G301-F351 WeakPolarHBondContact O-CD2 3.4Å
302	L	66.3	Low	62.5	Low	68 Å²	68	60.1 Å²	60.1	36%	0.356	36%	0.357	S	S	.	.			trans	-82.4	125.2	175.3	-68.7	175.1	0	0	0	110.4	F294 E299 T304 N350 F351	F294-L302 VanDerWaalsContact CZ-O 3.24Å; F294-L302 WeakPolarHBondContact CZ-O 3.44Å; E299-L302 PolarHBondContact O-N 3.04Å; E299-L302 VanDerWaalsContact O-N 3.16Å; L302-T304 PolarHBondContact O-N 2.03Å; L302-N350 HydrophobicContact CD1-CB 3.71Å; L302-N350 HydrophobicContact CG-CB 3.86Å; L302-F351 HydrophobicContact CD2-CE2 4.02Å
303	P	56.3	Low	62	Low	53 Å²	53	63.8 Å²	63.8	34%	0.344	38%	0.381	S	S	.	.			trans	-60.6	124.7	-176.5	-21.8	31.2	0	0	0	113	F272 G305	F272-P303 HydrophobicContact CZ-CG 4.28Å; P303-G305 PolarHBondContact O-N 3.3Å
304	T	53.1	Low	61.9	Low	101 Å²	101	63.2 Å²	63.2	62%	0.62	38%	0.375	S	S	*	.			trans	-78.5	60.7	-179	51.7	0	0	0	0	111.8	E299 L302	E299-T304 HydrophobicContact CG-CG2 4.25Å; L302-T304 PolarHBondContact O-N 2.03Å
305	G	47.8	Very low	61.8	Low	39 Å²	39	63.6 Å²	63.6	40%	0.402	38%	0.378	S	S	.	.			trans	-85.3	110.8	-175.5	0	0	0	0	0	114.1	M248 P303 V307	M248-G305 WeakPolarHBondContact CE-O 3.01Å; P303-G305 PolarHBondContact O-N 3.3Å; G305-V307 PolarHBondContact O-N 3.47Å
306	S	41	Very low	61.8	Low	107 Å²	107	66.3 Å²	66.3	75%	0.748	39%	0.388	S	S	*	.	S	Bend	trans	52.4	1.8	152.2	-33	0	0	0	0	121.4
307	V	34.6	Very low	61.5	Low	84 Å²	84	69 Å²	69	51%	0.509	40%	0.403	S	S	.	.	S	Bend	trans	-126.7	136.1	174.4	-148.5	0	0	0	0	108.6	M248 G305 Y309	M248-V307 HydrophobicContact CE-CG2 4.19Å; M248-V307 HydrophobicContact SD-CG2 3.84Å; G305-V307 PolarHBondContact O-N 3.47Å; V307-Y309 HydrophobicContact CB-CD2 4.36Å; V307-Y309 PolarHBondContact O-N 3.12Å
308	P	34.1	Very low	61.1	Low	129 Å²	129	69.8 Å²	69.8	84%	0.838	41%	0.408	S	S	*	.			trans	-75.1	67.9	-179.3	31.5	-37.1	0	0	0	111.8
309	Y	36	Very low	60.4	Low	186 Å²	186	68.1 Å²	68.1	73%	0.729	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-69.6	129.3	160.1	-94.5	-101.2	0	0	0	108.7	V307 V311	V307-Y309 HydrophobicContact CB-CD2 4.36Å; V307-Y309 PolarHBondContact O-N 3.12Å; Y309-V311 PolarHBondContact O-N 2.71Å
310	V	45.7	Very low	59.6	Low	128 Å²	128	70 Å²	70	78%	0.776	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-56.5	131.8	175.2	-175.6	0	0	0	0	108.3
311	V	48.1	Very low	58.6	Low	83 Å²	83	74.6 Å²	74.6	50%	0.503	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-48.9	126.8	172.9	176.9	0	0	0	0	108	Q298 Y309	Q298-V311 HydrophobicContact CB-CG1 4.22Å; Q298-V311 HydrophobicContact CG-CG1 3.55Å; Y309-V311 PolarHBondContact O-N 2.71Å
312	P	57.5	Low	57.5	Low	41 Å²	41	75.7 Å²	75.7	27%	0.266	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-50	129.8	-174.8	-31.1	37	0	0	0	111.4	Q298 T314	Q298-P312 PolarHBondContact NE2-O 3.49Å; P312-T314 VanDerWaalsContact CB-O 3.3Å; P312-T314 WeakPolarHBondContact CB-O 3.44Å; P312-T314 PolarHBondContact O-N 2.03Å; P312-T314 VanDerWaalsContact O-N 3.09Å
313	P	65.6	Low	56.6	Low	124 Å²	124	76.2 Å²	76.2	81%	0.805	48%	0.481	S	S	*	.	S	Bend	trans	-64.4	-17.8	-177.9	27.4	-35.4	0	0	0	112	Q298	Q298-P313 PolarHBondContact NE2-O 2.8Å
314	T	76.3	Confident	56.1	Low	46 Å²	46	76.5 Å²	76.5	28%	0.282	48%	0.482	S	S	.	.	S	Bend	trans	-123.8	143.2	176.1	45.9	0	0	0	0	109.9	P312 Y316	P312-T314 VanDerWaalsContact CB-O 3.3Å; P312-T314 WeakPolarHBondContact CB-O 3.44Å; P312-T314 PolarHBondContact O-N 2.03Å; P312-T314 VanDerWaalsContact O-N 3.09Å; T314-Y316 HydrophobicContact CG2-CD1 4.31Å; T314-Y316 HydrophobicContact CG2-CE1 3.6Å; T314-Y316 PolarHBondContact O-N 3.48Å; T314-Y316 VanDerWaalsContact O-N 3.13Å; T314-Y316 PolarHBondContact OG1-O 2.86Å
315	P	82.5	Confident	56.1	Low	10 Å²	10	76 Å²	76	7%	0.065	48%	0.482	C	S	.	.	S	Bend	trans	-64.2	-14.7	175.1	-19.7	30.7	0	0	0	114.2	Y331 N350 N352	P315-Y331 HydrophobicContact CB-CD2 4.05Å; P315-Y331 HydrophobicContact CB-CE2 4.35Å; P315-Y331 HydrophobicContact CG-CD2 4.36Å; P315-Y331 HydrophobicContact CG-CE2 4.15Å; P315-N350 PolarHBondContact O-ND2 2.9Å; P315-N352 WeakPolarHBondContact CB-ND2 3.49Å; P315-N352 VanDerWaalsContact O-CB 3.27Å; P315-N352 WeakPolarHBondContact O-CB 3.17Å; P315-N352 PolarHBondContact O-ND2 3.16Å
316	Y	81.3	Confident	56.9	Low	57 Å²	57	81.2 Å²	81.2	22%	0.224	49%	0.494	C	S	.	.	S	Bend	trans	-104.1	155.6	173	68	-89.7	0	0	0	111.2	T314 Y331 F342	T314-Y316 HydrophobicContact CG2-CD1 4.31Å; T314-Y316 HydrophobicContact CG2-CE1 3.6Å; T314-Y316 PolarHBondContact O-N 3.48Å; T314-Y316 VanDerWaalsContact O-N 3.13Å; T314-Y316 PolarHBondContact OG1-O 2.86Å; Y316-Y331 AromaticContact CD1-CD1 3.56Å; Y316-Y331 HydrophobicContact CD1-CD1 3.56Å; Y316-Y331 AromaticContact CD1-CD2 3.82Å; Y316-Y331 HydrophobicContact CD1-CD2 3.82Å; Y316-Y331 AromaticContact CD1-CE1 3.4Å; Y316-Y331 HydrophobicContact CD1-CE1 3.4Å; Y316-Y331 VanDerWaalsContact CD1-CE1 3.4Å; Y316-Y331 AromaticContact CD1-CE2 3.69Å; Y316-Y331 HydrophobicContact CD1-CE2 3.69Å; Y316-Y331 AromaticContact CD1-CG 3.75Å; Y316-Y331 HydrophobicContact CD1-CG 3.75Å; Y316-Y331 AromaticContact CD1-CZ 3.47Å; Y316-Y331 VanDerWaalsContact CD1-CZ 3.47Å; Y316-Y331 HydrophobicContact CE1-CD1 4.29Å; Y316-Y331 AromaticContact CE1-CE1 3.71Å; Y316-Y331 HydrophobicContact CE1-CE1 3.71Å; Y316-Y331 HydrophobicContact CE1-CE2 4.29Å; Y316-Y331 AromaticContact CE1-CZ 3.7Å; Y316-Y331 HydrophobicContact CG-CD1 4.04Å; Y316-Y331 HydrophobicContact CG-CD2 4.5Å; Y316-Y331 HydrophobicContact CG-CE1 4.29Å; Y316-Y331 HydrophobicContact CG-CG 4.14Å; Y316-F342 HydrophobicContact CD1-CB 4.29Å; Y316-F342 HydrophobicContact CD2-CB 3.95Å; Y316-F342 AromaticContact CD2-CD2 3.27Å; Y316-F342 HydrophobicContact CD2-CD2 3.27Å; Y316-F342 AromaticContact CD2-CE2 3.84Å; Y316-F342 HydrophobicContact CD2-CE2 3.84Å; Y316-F342 AromaticContact CD2-CG 3.76Å; Y316-F342 HydrophobicContact CD2-CG 3.76Å; Y316-F342 HydrophobicContact CE1-CB 4.37Å; Y316-F342 HydrophobicContact CE2-CB 4.05Å; Y316-F342 AromaticContact CE2-CD2 3.92Å; Y316-F342 HydrophobicContact CE2-CD2 3.92Å; Y316-F342 HydrophobicContact CE2-CG 4.32Å; Y316-F342 HydrophobicContact CG-CB 4.08Å; Y316-F342 HydrophobicContact CG-CD1 4.44Å; Y316-F342 AromaticContact CG-CD2 3.78Å; Y316-F342 HydrophobicContact CG-CD2 3.78Å; Y316-F342 HydrophobicContact CG-CE2 4.25Å; Y316-F342 AromaticContact CG-CG 3.87Å; Y316-F342 HydrophobicContact CG-CG 3.87Å
317	D	77.6	Confident	58	Low	61 Å²	61	80.3 Å²	80.3	33%	0.326	48%	0.477	S	S	.	.			trans	-118.4	120.8	162.8	171.7	22.5	0	0	0	109.1	G319 G349 N350	D317-G319 PolarHBondContact O-N 2.88Å; D317-G319 PolarHBondContact OD1-N 3.45Å; D317-G349 WeakPolarHBondContact O-CA 3.03Å; D317-G349 WeakPolarHBondContact OD2-CA 3.47Å; D317-G349 PolarHBondContact OD2-N 2.87Å; D317-N350 HydrophobicContact CB-CB 4.14Å; D317-N350 PolarHBondContact N-ND2 3.06Å; D317-N350 PolarHBondContact N-OD1 3.24Å
318	S	74.7	Confident	60.2	Low	33 Å²	33	81.6 Å²	81.6	23%	0.231	48%	0.477	C	S	.	.			trans	-65	-18.7	175.5	-75.6	0	0	0	0	113.1	E343 Y344 L345	S318-E343 VanDerWaalsContact CB-O 3.25Å; S318-E343 WeakPolarHBondContact CB-O 3.43Å; S318-E343 PolarHBondContact OG-O 2.83Å; S318-Y344 WeakPolarHBondContact O-CD2 3.05Å; S318-L345 WeakPolarHBondContact O-CB 3.03Å; S318-L345 WeakPolarHBondContact O-CG 3.45Å; S318-L345 PolarHBondContact O-N 3.24Å
319	G	68.2	Low	62.6	Low	16 Å²	16	77.9 Å²	77.9	17%	0.165	45%	0.447	C	S	.	.			trans	79.2	-150	174.9	0	0	0	0	0	113.8	D317 Q347	D317-G319 PolarHBondContact O-N 2.88Å; D317-G319 PolarHBondContact OD1-N 3.45Å; G319-Q347 CarbonylContact C-O 3.49Å; G319-Q347 VanDerWaalsContact CA-O 3.23Å; G319-Q347 WeakPolarHBondContact CA-O 3.06Å
320	L	58.9	Low	65	Low	105 Å²	105	71.2 Å²	71.2	55%	0.55	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.8	-177.1	-63.7	175.4	0	0	0	111.1	G322 L345 Q347 A348	L320-G322 PolarHBondContact O-N 2.89Å; L320-L345 CarbonylContact O-C 3.58Å; L320-L345 WeakPolarHBondContact O-CB 3.48Å; L320-Q347 HydrophobicContact CB-CB 4.41Å; L320-Q347 PolarHBondContact N-O 2.99Å; L320-Q347 PolarHBondContact O-N 2.92Å; L320-A348 HydrophobicContact CD1-CB 4.3Å; L320-A348 HydrophobicContact CG-CB 4.16Å
321	S	55.6	Low	67	Low	96 Å²	96	66 Å²	66	67%	0.671	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	98.2	176.6	-172.1	0	0	0	0	111	G323	S321-G323 PolarHBondContact O-N 2.86Å
322	G	47.1	Very low	68.9	Low	23 Å²	23	62.8 Å²	62.8	24%	0.237	37%	0.366	C	S	.	.			trans	-82.7	17.3	-174.8	0	0	0	0	0	115.5	L320 V324 L345 Q347	L320-G322 PolarHBondContact O-N 2.89Å; G322-V324 WeakPolarHBondContact O-CG2 3.4Å; G322-V324 PolarHBondContact O-N 2.8Å; G322-L345 PolarHBondContact N-O 3.27Å; G322-Q347 VanDerWaalsContact CA-NE2 3.3Å
323	G	47	Very low	70.3	Confident	79 Å²	79	61.4 Å²	61.4	81%	0.814	36%	0.356	S	S	*	.	S	Bend	trans	71	8.4	-169.8	0	0	0	0	0	114.4	S321	S321-G323 PolarHBondContact O-N 2.86Å
324	V	44.5	Very low	70.9	Confident	59 Å²	59	57.8 Å²	57.8	36%	0.358	33%	0.332	S	S	.	.	S	Bend	trans	-102.1	155.8	-179.8	-144.7	0	0	0	0	110	G322	G322-V324 WeakPolarHBondContact O-CG2 3.4Å; G322-V324 PolarHBondContact O-N 2.8Å
325	S	54.6	Low	70.9	Confident	90 Å²	90	59.9 Å²	59.9	63%	0.629	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-60.7	145.9	172	47.9	0	0	0	0	111.7	K327	S325-K327 PolarHBondContact O-N 2.63Å
326	F	63.6	Low	70.7	Confident	148 Å²	148	63.7 Å²	63.7	65%	0.649	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-53.4	132.4	174.1	56.3	-89.2	0	0	0	110.2
327	K	65.5	Low	70.4	Confident	88 Å²	88	64.5 Å²	64.5	38%	0.383	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122	171.7	-172.6	166.6	-178.6	-169.5	0	109.1	S325 R329 Y344 D355	S325-K327 PolarHBondContact O-N 2.63Å; K327-R329 PolarHBondContact O-N 3.17Å; K327-Y344 PolarHBondContact N-O 3.36Å; K327-Y344 PolarHBondContact O-N 2.89Å; K327-D355 VanDerWaalsContact CE-OD1 3.25Å; K327-D355 WeakPolarHBondContact CE-OD1 3.11Å; K327-D355 IonicContact NZ-OD1 3.95Å; K327-D355 PolarHBondContact NZ-OD1 2.84Å; K327-D355 IonicContact NZ-OD2 2.67Å; K327-D355 PolarHBondContact NZ-OD2 3.49Å
328	Q	80.4	Confident	70.5	Confident	111 Å²	111	66.2 Å²	66.2	52%	0.519	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	123	167	-177.6	176.8	-19.4	0	0	108.6	Y330 P341	Q328-Y330 PolarHBondContact NE2-OH 3.11Å; Q328-P341 HydrophobicContact CG-CB 4.19Å
329	R	83.2	Confident	71.1	Confident	52 Å²	52	64.8 Å²	64.8	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	172.5	174.7	-67.7	-64.5	-171.7	105	-6.8	108.7	K327 P341 F342 Y344 N353 F354 D355	K327-R329 PolarHBondContact O-N 3.17Å; R329-P341 CarbonylContact O-C 3.58Å; R329-P341 VanDerWaalsContact O-CA 3.23Å; R329-P341 WeakPolarHBondContact O-CA 3.08Å; R329-F342 HydrophobicContact CB-CD1 3.83Å; R329-F342 HydrophobicContact CB-CE1 3.39Å; R329-F342 HydrophobicContact CB-CZ 3.8Å; R329-F342 PolarHBondContact N-O 2.83Å; R329-F342 PolarHBondContact O-N 3.46Å; R329-Y344 HydrophobicContact CG-CD1 4.23Å; R329-Y344 HydrophobicContact CG-CG 4.11Å; R329-N353 WeakPolarHBondContact CB-OD1 3.25Å; R329-N353 WeakPolarHBondContact CD-OD1 3.49Å; R329-N353 VanDerWaalsContact CG-OD1 3.24Å; R329-N353 WeakPolarHBondContact CG-OD1 3.13Å; R329-N353 PolarHBondContact NH1-OD1 3.04Å; R329-F354 WeakPolarHBondContact CA-O 3.36Å; R329-F354 WeakPolarHBondContact CD-O 3.24Å; R329-D355 IonicContact CZ-OD1 2.79Å; R329-D355 VanDerWaalsContact CZ-OD1 3.28Å; R329-D355 IonicContact NE-OD1 3.75Å; R329-D355 PolarHBondContact NE-OD1 2.91Å; R329-D355 VanDerWaalsContact NE-OD1 3.13Å; R329-D355 IonicContact NH1-OD1 2.64Å; R329-D355 IonicContact NH2-OD1 3.63Å
330	Y	86.8	Confident	72.1	Confident	45 Å²	45	66 Å²	66	18%	0.176	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.4	173.5	-66.7	-96	0	0	0	109.9	Q328 K340 P341 F354 E357	Q328-Y330 PolarHBondContact NE2-OH 3.11Å; Y330-K340 WeakPolarHBondContact CA-O 3.08Å; Y330-P341 HydrophobicContact CD1-CB 4.23Å; Y330-P341 HydrophobicContact CE1-CB 3.93Å; Y330-F354 PolarHBondContact N-O 3.43Å; Y330-F354 WeakPolarHBondContact O-CD2 3.06Å; Y330-F354 PolarHBondContact O-N 2.94Å; Y330-E357 HydrophobicContact CD1-CB 3.7Å; Y330-E357 HydrophobicContact CD1-CG 3.9Å; Y330-E357 VanDerWaalsContact CD2-N 3.27Å; Y330-E357 HydrophobicContact CE1-CB 3.65Å; Y330-E357 HydrophobicContact CE1-CG 3.99Å; Y330-E357 HydrophobicContact CE2-CB 4.46Å; Y330-E357 HydrophobicContact CG-CB 4.15Å
331	Y	87.8	Confident	73.7	Confident	20 Å²	20	64.4 Å²	64.4	8%	0.078	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	157.4	171	73.8	-81.8	0	0	0	109.3	P315 Y316 D333 C339 K340 F342 N352 C360	P315-Y331 HydrophobicContact CB-CD2 4.05Å; P315-Y331 HydrophobicContact CB-CE2 4.35Å; P315-Y331 HydrophobicContact CG-CD2 4.36Å; P315-Y331 HydrophobicContact CG-CE2 4.15Å; Y316-Y331 AromaticContact CD1-CD1 3.56Å; Y316-Y331 HydrophobicContact CD1-CD1 3.56Å; Y316-Y331 AromaticContact CD1-CD2 3.82Å; Y316-Y331 HydrophobicContact CD1-CD2 3.82Å; Y316-Y331 AromaticContact CD1-CE1 3.4Å; Y316-Y331 HydrophobicContact CD1-CE1 3.4Å; Y316-Y331 VanDerWaalsContact CD1-CE1 3.4Å; Y316-Y331 AromaticContact CD1-CE2 3.69Å; Y316-Y331 HydrophobicContact CD1-CE2 3.69Å; Y316-Y331 AromaticContact CD1-CG 3.75Å; Y316-Y331 HydrophobicContact CD1-CG 3.75Å; Y316-Y331 AromaticContact CD1-CZ 3.47Å; Y316-Y331 VanDerWaalsContact CD1-CZ 3.47Å; Y316-Y331 HydrophobicContact CE1-CD1 4.29Å; Y316-Y331 AromaticContact CE1-CE1 3.71Å; Y316-Y331 HydrophobicContact CE1-CE1 3.71Å; Y316-Y331 HydrophobicContact CE1-CE2 4.29Å; Y316-Y331 AromaticContact CE1-CZ 3.7Å; Y316-Y331 HydrophobicContact CG-CD1 4.04Å; Y316-Y331 HydrophobicContact CG-CD2 4.5Å; Y316-Y331 HydrophobicContact CG-CE1 4.29Å; Y316-Y331 HydrophobicContact CG-CG 4.14Å; Y331-D333 HydrophobicContact CD2-CB 4.43Å; Y331-D333 HydrophobicContact CE2-CB 3.77Å; Y331-C339 CarbonylContact O-C 3.27Å; Y331-C339 VanDerWaalsContact O-CA 3.27Å; Y331-C339 WeakPolarHBondContact O-CA 3.41Å; Y331-K340 HydrophobicContact CD1-CB 4.31Å; Y331-K340 WeakPolarHBondContact CD1-O 3.44Å; Y331-K340 HydrophobicContact CE1-CB 3.69Å; Y331-K340 PolarHBondContact N-O 3.22Å; Y331-K340 PolarHBondContact O-N 2.92Å; Y331-F342 HydrophobicContact CD1-CB 3.83Å; Y331-F342 AromaticContact CD1-CD1 3.69Å; Y331-F342 HydrophobicContact CD1-CD1 3.69Å; Y331-F342 HydrophobicContact CD1-CG 4.04Å; Y331-F342 HydrophobicContact CE1-CB 4.02Å; Y331-F342 HydrophobicContact CG-CD1 4.3Å; Y331-N352 WeakPolarHBondContact CA-O 3.3Å; Y331-N352 WeakPolarHBondContact CB-O 3.46Å; Y331-C360 VanDerWaalsContact C-SG 3.53Å
332	Y	87.2	Confident	75.2	Confident	14 Å²	14	60.4 Å²	60.4	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.2	169.8	-172.7	-97.4	0	0	0	110	C296 R337 N352 C364 I368	C296-Y332 HydrophobicContact CB-CD1 3.94Å; C296-Y332 HydrophobicContact CB-CG 4.21Å; Y332-R337 WeakPolarHBondContact OH-CA 3.15Å; Y332-N352 PolarHBondContact N-OD1 2.77Å; Y332-N352 PolarHBondContact O-ND2 2.8Å; Y332-C364 WeakPolarHBondContact CB-SG 3.47Å; Y332-C364 HydrophobicContact CD1-CB 4.13Å; Y332-C364 HydrophobicContact CD2-CB 3.32Å; Y332-C364 HydrophobicContact CE2-CB 3.91Å; Y332-C364 HydrophobicContact CG-CB 3.44Å; Y332-C364 VanDerWaalsContact CG-CB 3.44Å; Y332-I368 WeakPolarHBondContact OH-CD1 3.34Å
333	D	87.3	Confident	77	Confident	13 Å²	13	65.4 Å²	65.4	7%	0.07	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.8	173	-172.5	-45.6	0	0	0	109	Y331 A335 E336 R337 R338 K340	Y331-D333 HydrophobicContact CD2-CB 4.43Å; Y331-D333 HydrophobicContact CE2-CB 3.77Å; D333-A335 VanDerWaalsContact C-N 3.34Å; D333-A335 WeakPolarHBondContact OD1-CA 3.35Å; D333-A335 WeakPolarHBondContact OD1-CB 3.03Å; D333-A335 PolarHBondContact OD1-N 2.72Å; D333-E336 HydrophobicContact CB-CB 4.34Å; D333-E336 PolarHBondContact OD1-N 2.91Å; D333-R337 WeakPolarHBondContact O-CA 3.32Å; D333-R337 PolarHBondContact O-N 3.04Å; D333-R338 WeakPolarHBondContact CB-O 3.18Å; D333-R338 PolarHBondContact N-O 2.97Å; D333-R338 PolarHBondContact O-N 2.05Å; D333-K340 HydrophobicContact CB-CD 3.5Å; D333-K340 VanDerWaalsContact CB-CD 3.5Å; D333-K340 HydrophobicContact CB-CG 4.27Å; D333-K340 WeakPolarHBondContact OD2-CD 3.39Å; D333-K340 WeakPolarHBondContact OD2-CE 3.42Å; D333-K340 IonicContact OD2-NZ 3.56Å; D333-K340 PolarHBondContact OD2-NZ 3.12Å
334	T	77.7	Confident	78.2	Confident	47 Å²	47	62.9 Å²	62.9	29%	0.288	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.1	-179.7	44.9	0	0	0	0	113	C296 Q298	C296-T334 VanDerWaalsContact O-CG2 3.26Å; C296-T334 WeakPolarHBondContact O-CG2 3.17Å; Q298-T334 PolarHBondContact OE1-OG1 2.87Å
335	A	77.6	Confident	79.1	Confident	90 Å²	90	62.8 Å²	62.8	74%	0.744	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-44.7	-176.8	0	0	0	0	0	111.9	D333 R337	D333-A335 VanDerWaalsContact C-N 3.34Å; D333-A335 WeakPolarHBondContact OD1-CA 3.35Å; D333-A335 WeakPolarHBondContact OD1-CB 3.03Å; D333-A335 PolarHBondContact OD1-N 2.72Å; A335-R337 VanDerWaalsContact C-N 3.33Å
336	E	77.7	Confident	78.9	Confident	90 Å²	90	60 Å²	60	42%	0.421	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-8.8	173.5	-66.8	-176.5	-155	0	0	113.2	D333 R338 K340	D333-E336 HydrophobicContact CB-CB 4.34Å; D333-E336 PolarHBondContact OD1-N 2.91Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 HydrophobicContact CB-CG 3.61Å; E336-R338 PolarHBondContact O-N 2.74Å; E336-R338 VanDerWaalsContact OE2-CD 3.29Å; E336-R338 WeakPolarHBondContact OE2-CD 3.42Å; E336-R338 IonicContact OE2-CZ 3.5Å; E336-R338 IonicContact OE2-NE 2.7Å; E336-R338 IonicContact OE2-NH1 2.77Å; E336-R338 PolarHBondContact OE2-NH1 2.04Å; E336-K340 WeakPolarHBondContact OE1-CE 3.47Å; E336-K340 IonicContact OE1-NZ 3.63Å; E336-K340 PolarHBondContact OE1-NZ 2.04Å; E336-K340 WeakPolarHBondContact OE2-CE 3.5Å; E336-K340 IonicContact OE2-NZ 3.91Å
337	R	74.7	Confident	78.6	Confident	75 Å²	75	57.8 Å²	57.8	28%	0.283	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	47	-177.2	-64.6	-172.3	174.7	-140.1	1.2	113	Y332 D333 A335 I368 R376 L382 E402	Y332-R337 WeakPolarHBondContact OH-CA 3.15Å; D333-R337 WeakPolarHBondContact O-CA 3.32Å; D333-R337 PolarHBondContact O-N 3.04Å; A335-R337 VanDerWaalsContact C-N 3.33Å; R337-I368 HydrophobicContact CB-CD1 4.34Å; R337-R376 PolarHBondContact O-NH2 3.07Å; R337-L382 HydrophobicContact CB-CD1 3.46Å; R337-L382 VanDerWaalsContact CB-CD1 3.46Å; R337-L382 HydrophobicContact CG-CD1 4.16Å; R337-E402 IonicContact CZ-OE2 2.79Å; R337-E402 IonicContact NH1-OE2 2.84Å; R337-E402 PolarHBondContact NH1-OE2 3.23Å; R337-E402 IonicContact NH2-OE2 3.76Å; R337-E402 PolarHBondContact NH2-OE2 3.37Å; R337-E402 VanDerWaalsContact NH2-OE2 3.15Å
338	R	80.6	Confident	78.3	Confident	96 Å²	96	56.8 Å²	56.8	36%	0.362	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	161.2	-177.5	58.1	177.1	-91.4	-147.2	13	111.8	D333 E336 K340	D333-R338 WeakPolarHBondContact CB-O 3.18Å; D333-R338 PolarHBondContact N-O 2.97Å; D333-R338 PolarHBondContact O-N 2.05Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 HydrophobicContact CB-CG 3.61Å; E336-R338 PolarHBondContact O-N 2.74Å; E336-R338 VanDerWaalsContact OE2-CD 3.29Å; E336-R338 WeakPolarHBondContact OE2-CD 3.42Å; E336-R338 IonicContact OE2-CZ 3.5Å; E336-R338 IonicContact OE2-NE 2.7Å; E336-R338 IonicContact OE2-NH1 2.77Å; E336-R338 PolarHBondContact OE2-NH1 2.04Å; R338-K340 HydrophobicContact CG-CD 4.42Å; R338-K340 HydrophobicContact CG-CG 4.21Å
339	C	86.1	Confident	77.7	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.8	170.6	-65.3	0	0	0	0	111	Y331 E357 C360 K361	Y331-C339 CarbonylContact O-C 3.27Å; Y331-C339 VanDerWaalsContact O-CA 3.27Å; Y331-C339 WeakPolarHBondContact O-CA 3.41Å; C339-E357 HydrophobicContact CB-CG 3.84Å; C339-C360 HydrophobicContact CB-CB 3.8Å; C339-C360 WeakPolarHBondContact CB-SG 3.32Å; C339-C360 WeakPolarHBondContact SG-CB 3.35Å; C339-C360 CovalentContact SG-SG 2.03Å; C339-C360 PolarHBondContact SG-SG 2.87Å; C339-K361 HydrophobicContact CB-CG 4.19Å; C339-K361 PolarHBondContact SG-N 2.04Å
340	K	90.1	Very high	77.2	Confident	41 Å²	41	50 Å²	50	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.2	177.6	-67.9	167.5	84.7	-179	0	109	Y330 Y331 D333 E336 R338	Y330-K340 WeakPolarHBondContact CA-O 3.08Å; Y331-K340 HydrophobicContact CD1-CB 4.31Å; Y331-K340 WeakPolarHBondContact CD1-O 3.44Å; Y331-K340 HydrophobicContact CE1-CB 3.69Å; Y331-K340 PolarHBondContact N-O 3.22Å; Y331-K340 PolarHBondContact O-N 2.92Å; D333-K340 HydrophobicContact CB-CD 3.5Å; D333-K340 VanDerWaalsContact CB-CD 3.5Å; D333-K340 HydrophobicContact CB-CG 4.27Å; D333-K340 WeakPolarHBondContact OD2-CD 3.39Å; D333-K340 WeakPolarHBondContact OD2-CE 3.42Å; D333-K340 IonicContact OD2-NZ 3.56Å; D333-K340 PolarHBondContact OD2-NZ 3.12Å; E336-K340 WeakPolarHBondContact OE1-CE 3.47Å; E336-K340 IonicContact OE1-NZ 3.63Å; E336-K340 PolarHBondContact OE1-NZ 2.04Å; E336-K340 WeakPolarHBondContact OE2-CE 3.5Å; E336-K340 IonicContact OE2-NZ 3.91Å; R338-K340 HydrophobicContact CG-CD 4.42Å; R338-K340 HydrophobicContact CG-CG 4.21Å
341	P	91.4	Very high	76.9	Confident	72 Å²	72	50.1 Å²	50.1	47%	0.468	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	151.9	174.8	30.8	-34.5	0	0	0	111.1	Q328 R329 Y330	Q328-P341 HydrophobicContact CG-CB 4.19Å; R329-P341 CarbonylContact O-C 3.58Å; R329-P341 VanDerWaalsContact O-CA 3.23Å; R329-P341 WeakPolarHBondContact O-CA 3.08Å; Y330-P341 HydrophobicContact CD1-CB 4.23Å; Y330-P341 HydrophobicContact CE1-CB 3.93Å
342	F	88.7	Confident	76.6	Confident	12 Å²	12	49.1 Å²	49.1	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.6	166.9	78.2	-74.4	0	0	0	111.2	Y316 R329 Y331 Y344 N353	Y316-F342 HydrophobicContact CD1-CB 4.29Å; Y316-F342 HydrophobicContact CD2-CB 3.95Å; Y316-F342 AromaticContact CD2-CD2 3.27Å; Y316-F342 HydrophobicContact CD2-CD2 3.27Å; Y316-F342 AromaticContact CD2-CE2 3.84Å; Y316-F342 HydrophobicContact CD2-CE2 3.84Å; Y316-F342 AromaticContact CD2-CG 3.76Å; Y316-F342 HydrophobicContact CD2-CG 3.76Å; Y316-F342 HydrophobicContact CE1-CB 4.37Å; Y316-F342 HydrophobicContact CE2-CB 4.05Å; Y316-F342 AromaticContact CE2-CD2 3.92Å; Y316-F342 HydrophobicContact CE2-CD2 3.92Å; Y316-F342 HydrophobicContact CE2-CG 4.32Å; Y316-F342 HydrophobicContact CG-CB 4.08Å; Y316-F342 HydrophobicContact CG-CD1 4.44Å; Y316-F342 AromaticContact CG-CD2 3.78Å; Y316-F342 HydrophobicContact CG-CD2 3.78Å; Y316-F342 HydrophobicContact CG-CE2 4.25Å; Y316-F342 AromaticContact CG-CG 3.87Å; Y316-F342 HydrophobicContact CG-CG 3.87Å; R329-F342 HydrophobicContact CB-CD1 3.83Å; R329-F342 HydrophobicContact CB-CE1 3.39Å; R329-F342 HydrophobicContact CB-CZ 3.8Å; R329-F342 PolarHBondContact N-O 2.83Å; R329-F342 PolarHBondContact O-N 3.46Å; Y331-F342 HydrophobicContact CD1-CB 3.83Å; Y331-F342 AromaticContact CD1-CD1 3.69Å; Y331-F342 HydrophobicContact CD1-CD1 3.69Å; Y331-F342 HydrophobicContact CD1-CG 4.04Å; Y331-F342 HydrophobicContact CE1-CB 4.02Å; Y331-F342 HydrophobicContact CG-CD1 4.3Å; F342-Y344 HydrophobicContact CE2-CD2 4.44Å; F342-N353 HydrophobicContact CE1-CB 4.4Å; F342-N353 HydrophobicContact CZ-CB 3.97Å
343	E	83.5	Confident	76.3	Confident	128 Å²	128	49.1 Å²	49.1	60%	0.598	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	175.2	-64.1	-177.6	170.2	0	0	110.1	S318	S318-E343 VanDerWaalsContact CB-O 3.25Å; S318-E343 WeakPolarHBondContact CB-O 3.43Å; S318-E343 PolarHBondContact OG-O 2.83Å
344	Y	73.3	Confident	75.8	Confident	25 Å²	25	48.5 Å²	48.5	10%	0.098	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.8	174.6	174.3	-107.9	0	0	0	110.2	S318 K327 R329 F342 G346 Q347 A348 N353	S318-Y344 WeakPolarHBondContact O-CD2 3.05Å; K327-Y344 PolarHBondContact N-O 3.36Å; K327-Y344 PolarHBondContact O-N 2.89Å; R329-Y344 HydrophobicContact CG-CD1 4.23Å; R329-Y344 HydrophobicContact CG-CG 4.11Å; F342-Y344 HydrophobicContact CE2-CD2 4.44Å; Y344-G346 VanDerWaalsContact C-N 3.32Å; Y344-G346 WeakPolarHBondContact CE1-O 3.4Å; Y344-G346 VanDerWaalsContact CZ-C 3.41Å; Y344-G346 PolarHBondContact O-N 3.37Å; Y344-G346 PolarHBondContact OH-O 3.48Å; Y344-Q347 VanDerWaalsContact OH-C 3.28Å; Y344-Q347 WeakPolarHBondContact OH-CA 3.48Å; Y344-Q347 PolarHBondContact OH-N 3.02Å; Y344-A348 PolarHBondContact OH-O 2.97Å; Y344-N353 WeakPolarHBondContact CD2-ND2 3.4Å; Y344-N353 WeakPolarHBondContact CE2-ND2 3.06Å
345	L	64.1	Low	75.5	Confident	57 Å²	57	49.9 Å²	49.9	30%	0.298	27%	0.274	S	S	.	.			trans	-88.5	5.2	-168.2	-58.4	179.3	0	0	0	114.2	S318 L320 G322	S318-L345 WeakPolarHBondContact O-CB 3.03Å; S318-L345 WeakPolarHBondContact O-CG 3.45Å; S318-L345 PolarHBondContact O-N 3.24Å; L320-L345 CarbonylContact O-C 3.58Å; L320-L345 WeakPolarHBondContact O-CB 3.48Å; G322-L345 PolarHBondContact N-O 3.27Å
346	G	49.9	Very low	75.3	Confident	31 Å²	31	47.8 Å²	47.8	32%	0.32	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.6	-32.9	170.1	0	0	0	0	0	114.7	Y344	Y344-G346 VanDerWaalsContact C-N 3.32Å; Y344-G346 WeakPolarHBondContact CE1-O 3.4Å; Y344-G346 VanDerWaalsContact CZ-C 3.41Å; Y344-G346 PolarHBondContact O-N 3.37Å; Y344-G346 PolarHBondContact OH-O 3.48Å
347	Q	56.6	Low	75.4	Confident	102 Å²	102	47.1 Å²	47.1	48%	0.477	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	161	-177.5	-60.3	-177.8	9.9	0	0	112.6	G319 L320 G322 Y344	G319-Q347 CarbonylContact C-O 3.49Å; G319-Q347 VanDerWaalsContact CA-O 3.23Å; G319-Q347 WeakPolarHBondContact CA-O 3.06Å; L320-Q347 HydrophobicContact CB-CB 4.41Å; L320-Q347 PolarHBondContact N-O 2.99Å; L320-Q347 PolarHBondContact O-N 2.92Å; G322-Q347 VanDerWaalsContact CA-NE2 3.3Å; Y344-Q347 VanDerWaalsContact OH-C 3.28Å; Y344-Q347 WeakPolarHBondContact OH-CA 3.48Å; Y344-Q347 PolarHBondContact OH-N 3.02Å
348	A	59.4	Low	74.9	Confident	68 Å²	68	46.7 Å²	46.7	56%	0.562	26%	0.263	S	S	*	.			trans	57	-129.8	-175.5	0	0	0	0	0	112.7	L320 Y344	L320-A348 HydrophobicContact CD1-CB 4.3Å; L320-A348 HydrophobicContact CG-CB 4.16Å; Y344-A348 PolarHBondContact OH-O 2.97Å
349	G	67.5	Low	74.4	Confident	14 Å²	14	44.9 Å²	44.9	14%	0.144	26%	0.259	C	S	.	.			trans	82.7	175.6	-173.1	0	0	0	0	0	113.5	D317	D317-G349 WeakPolarHBondContact O-CA 3.03Å; D317-G349 WeakPolarHBondContact OD2-CA 3.47Å; D317-G349 PolarHBondContact OD2-N 2.87Å
350	N	74	Confident	74.1	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.032	26%	0.258	C	S	.	.			trans	-104.3	178.8	170.5	71.3	8.5	0	0	0	110.6	L302 P315 D317 N352 N353	L302-N350 HydrophobicContact CD1-CB 3.71Å; L302-N350 HydrophobicContact CG-CB 3.86Å; P315-N350 PolarHBondContact O-ND2 2.9Å; D317-N350 HydrophobicContact CB-CB 4.14Å; D317-N350 PolarHBondContact N-ND2 3.06Å; D317-N350 PolarHBondContact N-OD1 3.24Å; N350-N352 VanDerWaalsContact C-N 3.33Å; N350-N352 PolarHBondContact OD1-N 2.81Å; N350-N353 WeakPolarHBondContact O-CB 3.38Å
351	F	79.5	Confident	73.5	Confident	47 Å²	47	45.3 Å²	45.3	21%	0.206	26%	0.26	C	S	.	.	S	Bend	trans	-84.9	-6.7	-176.2	-55.4	-66.9	0	0	0	113.9	Q240 I295 G300 G301 L302 N353	Q240-F351 HydrophobicContact CB-CZ 4.4Å; Q240-F351 HydrophobicContact CG-CZ 3.96Å; I295-F351 HydrophobicContact CG1-CB 4.17Å; I295-F351 HydrophobicContact CG2-CB 3.91Å; I295-F351 WeakPolarHBondContact CG2-O 3.33Å; G300-F351 WeakPolarHBondContact O-CA 3.19Å; G300-F351 WeakPolarHBondContact O-CB 3.21Å; G300-F351 PolarHBondContact O-N 3Å; G301-F351 WeakPolarHBondContact O-CD2 3.4Å; L302-F351 HydrophobicContact CD2-CE2 4.02Å; F351-N353 PolarHBondContact O-N 2.88Å
352	N	81.5	Confident	72.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.254	C	S	.	.			trans	-74.6	48.7	170.1	-158.2	-2.7	0	0	0	111.1	I295 S297 P315 Y331 Y332 N350	I295-N352 VanDerWaalsContact O-CB 3.23Å; I295-N352 WeakPolarHBondContact O-CB 3.36Å; S297-N352 PolarHBondContact O-ND2 2.85Å; P315-N352 WeakPolarHBondContact CB-ND2 3.49Å; P315-N352 VanDerWaalsContact O-CB 3.27Å; P315-N352 WeakPolarHBondContact O-CB 3.17Å; P315-N352 PolarHBondContact O-ND2 3.16Å; Y331-N352 WeakPolarHBondContact CA-O 3.3Å; Y331-N352 WeakPolarHBondContact CB-O 3.46Å; Y332-N352 PolarHBondContact N-OD1 2.77Å; Y332-N352 PolarHBondContact O-ND2 2.8Å; N350-N352 VanDerWaalsContact C-N 3.33Å; N350-N352 PolarHBondContact OD1-N 2.81Å
353	N	80.5	Confident	71.6	Confident	13 Å²	13	47 Å²	47	7%	0.07	26%	0.262	C	S	.	.			trans	-141.8	105.5	-166.2	-178.7	-18.6	0	0	0	108.3	R238 R329 F342 Y344 N350 F351	R238-N353 PolarHBondContact NH2-O 3.41Å; R329-N353 WeakPolarHBondContact CB-OD1 3.25Å; R329-N353 WeakPolarHBondContact CD-OD1 3.49Å; R329-N353 VanDerWaalsContact CG-OD1 3.24Å; R329-N353 WeakPolarHBondContact CG-OD1 3.13Å; R329-N353 PolarHBondContact NH1-OD1 3.04Å; F342-N353 HydrophobicContact CE1-CB 4.4Å; F342-N353 HydrophobicContact CZ-CB 3.97Å; Y344-N353 WeakPolarHBondContact CD2-ND2 3.4Å; Y344-N353 WeakPolarHBondContact CE2-ND2 3.06Å; N350-N353 WeakPolarHBondContact O-CB 3.38Å; F351-N353 PolarHBondContact O-N 2.88Å
354	F	78.1	Confident	71.5	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-119.9	147.6	-173.6	-54.4	-83.1	0	0	0	110.2	I295 R329 Y330 S356 E359 C360 F363 C364	I295-F354 HydrophobicContact CG2-CZ 4.4Å; R329-F354 WeakPolarHBondContact CA-O 3.36Å; R329-F354 WeakPolarHBondContact CD-O 3.24Å; Y330-F354 PolarHBondContact N-O 3.43Å; Y330-F354 WeakPolarHBondContact O-CD2 3.06Å; Y330-F354 PolarHBondContact O-N 2.94Å; F354-S356 VanDerWaalsContact C-N 3.31Å; F354-E359 HydrophobicContact CB-CB 4.31Å; F354-E359 HydrophobicContact CB-CG 4.33Å; F354-E359 HydrophobicContact CD1-CG 3.94Å; F354-C360 HydrophobicContact CB-CB 3.79Å; F354-C360 HydrophobicContact CD1-CB 4.48Å; F354-C360 HydrophobicContact CD2-CB 3.48Å; F354-C360 VanDerWaalsContact CD2-CB 3.48Å; F354-C360 HydrophobicContact CE2-CB 4.21Å; F354-C360 HydrophobicContact CG-CB 3.66Å; F354-F363 HydrophobicContact CD1-CB 4.46Å; F354-F363 HydrophobicContact CE1-CB 3.71Å; F354-F363 AromaticContact CE1-CD1 3.61Å; F354-F363 HydrophobicContact CE1-CD1 3.61Å; F354-F363 HydrophobicContact CE1-CD2 4.41Å; F354-F363 HydrophobicContact CE1-CE1 4.34Å; F354-F363 AromaticContact CE1-CG 3.65Å; F354-F363 HydrophobicContact CE1-CG 3.65Å; F354-F363 HydrophobicContact CZ-CB 4.22Å; F354-F363 AromaticContact CZ-CD1 3.58Å; F354-F363 HydrophobicContact CZ-CD1 3.58Å; F354-F363 HydrophobicContact CZ-CE1 4.24Å; F354-F363 HydrophobicContact CZ-CG 4.09Å; F354-C364 VanDerWaalsContact CZ-SG 3.54Å
355	D	69.8	Low	71.3	Confident	76 Å²	76	39.9 Å²	39.9	41%	0.406	23%	0.229	S	C	.	.	S	Bend	trans	-78.7	-17.8	-177.7	-134.8	56.2	0	0	0	112.3	K327 R329 E359	K327-D355 VanDerWaalsContact CE-OD1 3.25Å; K327-D355 WeakPolarHBondContact CE-OD1 3.11Å; K327-D355 IonicContact NZ-OD1 3.95Å; K327-D355 PolarHBondContact NZ-OD1 2.84Å; K327-D355 IonicContact NZ-OD2 2.67Å; K327-D355 PolarHBondContact NZ-OD2 3.49Å; R329-D355 IonicContact CZ-OD1 2.79Å; R329-D355 VanDerWaalsContact CZ-OD1 3.28Å; R329-D355 IonicContact NE-OD1 3.75Å; R329-D355 PolarHBondContact NE-OD1 2.91Å; R329-D355 VanDerWaalsContact NE-OD1 3.13Å; R329-D355 IonicContact NH1-OD1 2.64Å; R329-D355 IonicContact NH2-OD1 3.63Å; D355-E359 PolarHBondContact N-OE2 3.3Å
356	S	74.6	Confident	71.4	Confident	47 Å²	47	41.3 Å²	41.3	33%	0.329	23%	0.231	S	C	.	.	S	Bend	trans	-146	158.3	176.2	68.2	0	0	0	0	113.1	F354 A358 E359 C360	F354-S356 VanDerWaalsContact C-N 3.31Å; S356-A358 PolarHBondContact O-N 2.8Å; S356-E359 PolarHBondContact O-N 3.16Å; S356-E359 WeakPolarHBondContact OG-CB 3.4Å; S356-E359 PolarHBondContact OG-N 3.39Å; S356-E359 VanDerWaalsContact OG-N 3.11Å; S356-C360 PolarHBondContact O-N 3.46Å
357	E	79.2	Confident	72.4	Confident	75 Å²	75	42.9 Å²	42.9	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-34.5	173.5	-159.7	-167.2	149.3	0	0	111.7	Y330 C339 C360 K361	Y330-E357 HydrophobicContact CD1-CB 3.7Å; Y330-E357 HydrophobicContact CD1-CG 3.9Å; Y330-E357 VanDerWaalsContact CD2-N 3.27Å; Y330-E357 HydrophobicContact CE1-CB 3.65Å; Y330-E357 HydrophobicContact CE1-CG 3.99Å; Y330-E357 HydrophobicContact CE2-CB 4.46Å; Y330-E357 HydrophobicContact CG-CB 4.15Å; C339-E357 HydrophobicContact CB-CG 3.84Å; E357-C360 PolarHBondContact O-N 3.43Å; E357-K361 HydrophobicContact CG-CD 4.36Å; E357-K361 WeakPolarHBondContact O-CB 3.43Å; E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 3.33Å; E357-K361 WeakPolarHBondContact OE1-CE 3.49Å; E357-K361 IonicContact OE1-NZ 3.47Å; E357-K361 PolarHBondContact OE1-NZ 3.21Å
358	A	64.3	Low	73.3	Confident	67 Å²	67	38.5 Å²	38.5	55%	0.554	21%	0.211	S	C	*	.	H	α-helix	trans	-67	-42.9	177.8	0	0	0	0	0	112.1	S356 K361 Q362	S356-A358 PolarHBondContact O-N 2.8Å; A358-K361 PolarHBondContact O-N 3.41Å; A358-Q362 WeakPolarHBondContact O-CB 3.2Å; A358-Q362 PolarHBondContact O-N 3.37Å
359	E	71.1	Confident	74.1	Confident	58 Å²	58	35.3 Å²	35.3	27%	0.271	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-47.4	173.8	-173.2	-161	166.2	0	0	110.8	R238 F354 D355 S356 K361 Q362 F363	R238-E359 IonicContact CZ-OE1 3.28Å; R238-E359 IonicContact NH1-OE1 3.87Å; R238-E359 PolarHBondContact NH1-OE1 2.64Å; R238-E359 IonicContact NH2-OE1 2.9Å; R238-E359 PolarHBondContact NH2-OE1 2.58Å; F354-E359 HydrophobicContact CB-CB 4.31Å; F354-E359 HydrophobicContact CB-CG 4.33Å; F354-E359 HydrophobicContact CD1-CG 3.94Å; D355-E359 PolarHBondContact N-OE2 3.3Å; S356-E359 PolarHBondContact O-N 3.16Å; S356-E359 WeakPolarHBondContact OG-CB 3.4Å; S356-E359 PolarHBondContact OG-N 3.39Å; S356-E359 VanDerWaalsContact OG-N 3.11Å; E359-K361 PolarHBondContact O-N 3.05Å; E359-Q362 PolarHBondContact O-N 3.45Å; E359-F363 VanDerWaalsContact O-CB 3.29Å; E359-F363 WeakPolarHBondContact O-CB 3.48Å; E359-F363 PolarHBondContact O-N 3.45Å
360	C	79.5	Confident	74.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-47.5	176	173	0	0	0	0	111.9	Y331 C339 F354 S356 E357 F363 C364	Y331-C360 VanDerWaalsContact C-SG 3.53Å; C339-C360 HydrophobicContact CB-CB 3.8Å; C339-C360 WeakPolarHBondContact CB-SG 3.32Å; C339-C360 WeakPolarHBondContact SG-CB 3.35Å; C339-C360 CovalentContact SG-SG 2.03Å; C339-C360 PolarHBondContact SG-SG 2.87Å; F354-C360 HydrophobicContact CB-CB 3.79Å; F354-C360 HydrophobicContact CD1-CB 4.48Å; F354-C360 HydrophobicContact CD2-CB 3.48Å; F354-C360 VanDerWaalsContact CD2-CB 3.48Å; F354-C360 HydrophobicContact CE2-CB 4.21Å; F354-C360 HydrophobicContact CG-CB 3.66Å; S356-C360 PolarHBondContact O-N 3.46Å; E357-C360 PolarHBondContact O-N 3.43Å; C360-F363 PolarHBondContact O-N 3.04Å; C360-C364 WeakPolarHBondContact O-CB 3.01Å; C360-C364 PolarHBondContact O-N 2.82Å
361	K	77	Confident	74.5	Confident	54 Å²	54	39.8 Å²	39.8	24%	0.235	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-56.4	177.9	-79.2	176.9	168.2	172.8	0	109.6	C339 E357 A358 E359 F363 C364 S365	C339-K361 HydrophobicContact CB-CG 4.19Å; C339-K361 PolarHBondContact SG-N 2.04Å; E357-K361 HydrophobicContact CG-CD 4.36Å; E357-K361 WeakPolarHBondContact O-CB 3.43Å; E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 3.33Å; E357-K361 WeakPolarHBondContact OE1-CE 3.49Å; E357-K361 IonicContact OE1-NZ 3.47Å; E357-K361 PolarHBondContact OE1-NZ 3.21Å; A358-K361 PolarHBondContact O-N 3.41Å; E359-K361 PolarHBondContact O-N 3.05Å; K361-F363 PolarHBondContact O-N 3Å; K361-C364 PolarHBondContact O-N 3.09Å; K361-S365 WeakPolarHBondContact O-CB 3.3Å; K361-S365 PolarHBondContact O-N 3.38Å; K361-S365 PolarHBondContact O-OG 3.02Å
362	Q	67.6	Low	74.3	Confident	70 Å²	70	38.5 Å²	38.5	33%	0.327	21%	0.205	S	C	.	.	H	α-helix	trans	-56	-29.3	-178.6	-178.6	176	-22.1	0	0	114.1	A358 E359 R366 G445	A358-Q362 WeakPolarHBondContact O-CB 3.2Å; A358-Q362 PolarHBondContact O-N 3.37Å; E359-Q362 PolarHBondContact O-N 3.45Å; Q362-R366 VanDerWaalsContact O-CD 3.23Å; Q362-R366 WeakPolarHBondContact O-CD 3.45Å; Q362-R366 PolarHBondContact O-NE 3.22Å; Q362-R366 VanDerWaalsContact O-NE 3.17Å; Q362-G445 PolarHBondContact NE2-O 3.25Å
363	F	73.2	Confident	74.1	Confident	50 Å²	50	42.6 Å²	42.6	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-87.2	-44	178.3	-168.8	-87.4	0	0	0	113	R238 P292 I295 C296 F354 E359 C360 K361	R238-F363 HydrophobicContact CB-CE2 4.36Å; R238-F363 HydrophobicContact CB-CZ 4.34Å; P292-F363 HydrophobicContact CB-CD1 4.43Å; P292-F363 HydrophobicContact CB-CE1 3.85Å; P292-F363 HydrophobicContact CB-CZ 4.04Å; P292-F363 HydrophobicContact CG-CE1 4.47Å; P292-F363 HydrophobicContact CG-CZ 4.17Å; I295-F363 HydrophobicContact CB-CE1 3.86Å; I295-F363 HydrophobicContact CB-CZ 4.32Å; I295-F363 HydrophobicContact CD1-CE1 4.22Å; I295-F363 HydrophobicContact CD1-CZ 3.79Å; I295-F363 HydrophobicContact CG2-CD1 4.41Å; I295-F363 HydrophobicContact CG2-CE1 3.54Å; I295-F363 HydrophobicContact CG2-CZ 4.11Å; C296-F363 VanDerWaalsContact SG-CD1 3.59Å; F354-F363 HydrophobicContact CD1-CB 4.46Å; F354-F363 HydrophobicContact CE1-CB 3.71Å; F354-F363 AromaticContact CE1-CD1 3.61Å; F354-F363 HydrophobicContact CE1-CD1 3.61Å; F354-F363 HydrophobicContact CE1-CD2 4.41Å; F354-F363 HydrophobicContact CE1-CE1 4.34Å; F354-F363 AromaticContact CE1-CG 3.65Å; F354-F363 HydrophobicContact CE1-CG 3.65Å; F354-F363 HydrophobicContact CZ-CB 4.22Å; F354-F363 AromaticContact CZ-CD1 3.58Å; F354-F363 HydrophobicContact CZ-CD1 3.58Å; F354-F363 HydrophobicContact CZ-CE1 4.24Å; F354-F363 HydrophobicContact CZ-CG 4.09Å; E359-F363 VanDerWaalsContact O-CB 3.29Å; E359-F363 WeakPolarHBondContact O-CB 3.48Å; E359-F363 PolarHBondContact O-N 3.45Å; C360-F363 PolarHBondContact O-N 3.04Å; K361-F363 PolarHBondContact O-N 3Å
364	C	80.6	Confident	74	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-99.9	-25	-171.3	-61.3	0	0	0	0	115.5	C296 Y332 F354 C360 K361 R366 I367	C296-C364 HydrophobicContact CB-CB 3.71Å; C296-C364 WeakPolarHBondContact CB-SG 3.49Å; C296-C364 WeakPolarHBondContact SG-CA 3.25Å; C296-C364 WeakPolarHBondContact SG-CB 3.04Å; C296-C364 CovalentContact SG-SG 2.03Å; C296-C364 PolarHBondContact SG-SG 3.43Å; Y332-C364 WeakPolarHBondContact CB-SG 3.47Å; Y332-C364 HydrophobicContact CD1-CB 4.13Å; Y332-C364 HydrophobicContact CD2-CB 3.32Å; Y332-C364 HydrophobicContact CE2-CB 3.91Å; Y332-C364 HydrophobicContact CG-CB 3.44Å; Y332-C364 VanDerWaalsContact CG-CB 3.44Å; F354-C364 VanDerWaalsContact CZ-SG 3.54Å; C360-C364 WeakPolarHBondContact O-CB 3.01Å; C360-C364 PolarHBondContact O-N 2.82Å; K361-C364 PolarHBondContact O-N 3.09Å; C364-R366 PolarHBondContact O-N 2.03Å; C364-I367 HydrophobicContact CB-CD1 4.36Å; C364-I367 WeakPolarHBondContact O-CB 3.42Å; C364-I367 WeakPolarHBondContact O-CD1 3.23Å; C364-I367 WeakPolarHBondContact O-CG1 3.32Å; C364-I367 PolarHBondContact O-N 3.01Å
365	S	68.8	Low	74	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.014	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59.6	-34.3	177.6	68	0	0	0	0	112.3	K361 I367 I368 E373	K361-S365 WeakPolarHBondContact O-CB 3.3Å; K361-S365 PolarHBondContact O-N 3.38Å; K361-S365 PolarHBondContact O-OG 3.02Å; S365-I367 PolarHBondContact O-N 3.07Å; S365-I368 PolarHBondContact O-N 2.58Å; S365-E373 WeakPolarHBondContact CB-OE1 3.04Å; S365-E373 WeakPolarHBondContact CB-OE2 3.28Å; S365-E373 PolarHBondContact OG-OE1 3.14Å; S365-E373 PolarHBondContact OG-OE2 2.6Å
366	R	66.8	Low	74.4	Confident	88 Å²	88	43.3 Å²	43.3	33%	0.332	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-57.9	-13.3	177.6	-66	-178.3	170.7	-123.3	-14.6	114.4	Q362 C364 I368 C369	Q362-R366 VanDerWaalsContact O-CD 3.23Å; Q362-R366 WeakPolarHBondContact O-CD 3.45Å; Q362-R366 PolarHBondContact O-NE 3.22Å; Q362-R366 VanDerWaalsContact O-NE 3.17Å; C364-R366 PolarHBondContact O-N 2.03Å; R366-I368 VanDerWaalsContact C-N 3.34Å; R366-C369 CarbonylContact C-O 3.52Å; R366-C369 WeakPolarHBondContact CA-O 3.37Å; R366-C369 CarbonylContact O-C 3.56Å; R366-C369 VanDerWaalsContact O-O 3.05Å
367	I	70.7	Confident	74.4	Confident	63 Å²	63	44.5 Å²	44.5	32%	0.323	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-72.5	-31.6	173.7	-60.8	162.7	0	0	0	110.5	C296 C364 S365	C296-I367 HydrophobicContact CB-CD1 3.43Å; C296-I367 VanDerWaalsContact CB-CD1 3.43Å; C364-I367 HydrophobicContact CB-CD1 4.36Å; C364-I367 WeakPolarHBondContact O-CB 3.42Å; C364-I367 WeakPolarHBondContact O-CD1 3.23Å; C364-I367 WeakPolarHBondContact O-CG1 3.32Å; C364-I367 PolarHBondContact O-N 3.01Å; S365-I367 PolarHBondContact O-N 3.07Å
368	I	75.3	Confident	73.8	Confident	11 Å²	11	50.9 Å²	50.9	6%	0.056	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-38.9	178.8	-56.7	164.9	0	0	0	110.9	Y332 R337 S365 R366 P374 L382 F404 C406	Y332-I368 WeakPolarHBondContact OH-CD1 3.34Å; R337-I368 HydrophobicContact CB-CD1 4.34Å; S365-I368 PolarHBondContact O-N 2.58Å; R366-I368 VanDerWaalsContact C-N 3.34Å; I368-P374 HydrophobicContact CB-CB 4.36Å; I368-P374 HydrophobicContact CB-CG 4.25Å; I368-P374 HydrophobicContact CD1-CG 4.04Å; I368-P374 HydrophobicContact CG2-CB 3.88Å; I368-P374 HydrophobicContact CG2-CG 4.29Å; I368-L382 HydrophobicContact CD1-CD1 3.69Å; I368-L382 HydrophobicContact CD1-CD2 4.13Å; I368-F404 HydrophobicContact CG2-CB 3.97Å; I368-F404 HydrophobicContact CG2-CD2 4.33Å; I368-F404 HydrophobicContact CG2-CG 4.16Å; I368-C406 PolarHBondContact O-SG 2.91Å
369	C	76.5	Confident	74.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	27%	0.265	C	S	.	.			trans	-125.7	125.3	-178	-57.3	0	0	0	0	112.1	R366 A371 G372 P374 C406	R366-C369 CarbonylContact C-O 3.52Å; R366-C369 WeakPolarHBondContact CA-O 3.37Å; R366-C369 CarbonylContact O-C 3.56Å; R366-C369 VanDerWaalsContact O-O 3.05Å; C369-A371 PolarHBondContact O-N 2.81Å; C369-G372 WeakPolarHBondContact CB-O 2.97Å; C369-P374 WeakPolarHBondContact SG-CA 3.35Å; C369-P374 WeakPolarHBondContact SG-CB 3.48Å; C369-P374 VanDerWaalsContact SG-N 3.41Å; C369-C406 WeakPolarHBondContact CA-SG 3.39Å; C369-C406 HydrophobicContact CB-CB 3.79Å; C369-C406 WeakPolarHBondContact CB-SG 3.13Å; C369-C406 VanDerWaalsContact SG-CA 3.52Å; C369-C406 WeakPolarHBondContact SG-CB 3.19Å; C369-C406 CovalentContact SG-SG 2.03Å; C369-C406 PolarHBondContact SG-SG 2.81Å
370	I	73.1	Confident	73.7	Confident	106 Å²	106	53 Å²	53	54%	0.544	27%	0.269	S	S	.	.	S	Bend	trans	-59.3	-29.3	177.7	-56.5	171.3	0	0	0	111.7	Q458 F462	I370-Q458 HydrophobicContact CG2-CG 4.47Å; I370-F462 HydrophobicContact CB-CD2 3.84Å; I370-F462 HydrophobicContact CB-CE2 3.98Å; I370-F462 HydrophobicContact CG2-CD2 3.69Å; I370-F462 HydrophobicContact CG2-CE2 4.34Å; I370-F462 HydrophobicContact CG2-CG 4.48Å
371	A	76.4	Confident	73.1	Confident	7 Å²	7	59.9 Å²	59.9	6%	0.058	30%	0.299	C	S	.	.	S	Bend	trans	-143.6	137.8	172.9	0	0	0	0	0	111.6	C369 V412 F453 F462	C369-A371 PolarHBondContact O-N 2.81Å; A371-V412 HydrophobicContact CB-CG1 3.89Å; A371-V412 HydrophobicContact CB-CG2 4.21Å; A371-F453 HydrophobicContact CB-CE1 3.85Å; A371-F453 HydrophobicContact CB-CZ 4.18Å; A371-F462 HydrophobicContact CB-CD1 4.18Å; A371-F462 HydrophobicContact CB-CD2 4.43Å; A371-F462 HydrophobicContact CB-CE1 3.85Å; A371-F462 HydrophobicContact CB-CE2 4.13Å; A371-F462 HydrophobicContact CB-CG 4.45Å; A371-F462 HydrophobicContact CB-CZ 3.83Å
372	G	76.2	Confident	72.9	Confident	21 Å²	21	58 Å²	58	22%	0.216	29%	0.291	C	S	.	.	S	Bend	trans	69.8	-176.8	-178.1	0	0	0	0	0	114.6	C369	C369-G372 WeakPolarHBondContact CB-O 2.97Å
373	E	76.8	Confident	73.5	Confident	85 Å²	85	56.3 Å²	56.3	40%	0.397	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-89.6	142.9	-179.3	-67.2	-64.3	130.2	0	0	111.6	S365 P407	S365-E373 WeakPolarHBondContact CB-OE1 3.04Å; S365-E373 WeakPolarHBondContact CB-OE2 3.28Å; S365-E373 PolarHBondContact OG-OE1 3.14Å; S365-E373 PolarHBondContact OG-OE2 2.6Å; E373-P407 WeakPolarHBondContact O-CD 3.48Å; E373-P407 VanDerWaalsContact O-CG 3.27Å; E373-P407 WeakPolarHBondContact O-CG 3.49Å
374	P	78.3	Confident	73.9	Confident	7 Å²	7	56.4 Å²	56.4	5%	0.045	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.4	146.1	172.2	27.3	-34.3	0	0	0	111.5	I368 C369 R376 L382	I368-P374 HydrophobicContact CB-CB 4.36Å; I368-P374 HydrophobicContact CB-CG 4.25Å; I368-P374 HydrophobicContact CD1-CG 4.04Å; I368-P374 HydrophobicContact CG2-CB 3.88Å; I368-P374 HydrophobicContact CG2-CG 4.29Å; C369-P374 WeakPolarHBondContact SG-CA 3.35Å; C369-P374 WeakPolarHBondContact SG-CB 3.48Å; C369-P374 VanDerWaalsContact SG-N 3.41Å; P374-R376 PolarHBondContact O-N 2.83Å; P374-L382 HydrophobicContact CB-CD2 3.62Å; P374-L382 HydrophobicContact CG-CD2 3.53Å
375	M	79	Confident	73.9	Confident	51 Å²	51	56.5 Å²	56.5	25%	0.251	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-64.2	131.2	177.4	-168.5	-176.2	172.6	0	0	110.7	V383 P394 Y397 C405	M375-V383 HydrophobicContact CB-CB 4.24Å; M375-V383 HydrophobicContact CB-CG2 4.25Å; M375-V383 HydrophobicContact CE-CG2 4.11Å; M375-V383 HydrophobicContact CG-CB 4.25Å; M375-V383 HydrophobicContact CG-CG2 3.8Å; M375-V383 PolarHBondContact O-N 2.82Å; M375-V383 HydrophobicContact SD-CB 4.21Å; M375-V383 HydrophobicContact SD-CG1 4.31Å; M375-V383 HydrophobicContact SD-CG2 3.92Å; M375-P394 HydrophobicContact CE-CG 3.85Å; M375-P394 VanDerWaalsContact SD-CD 3.58Å; M375-P394 HydrophobicContact SD-CG 3.63Å; M375-Y397 HydrophobicContact CB-CD1 3.82Å; M375-Y397 HydrophobicContact CB-CE1 3.71Å; M375-Y397 HydrophobicContact CB-CG 4.48Å; M375-Y397 HydrophobicContact CG-CE1 4.4Å; M375-C405 HydrophobicContact CB-CB 3.91Å; M375-C405 PolarHBondContact N-O 2.03Å
376	R	77.3	Confident	74	Confident	46 Å²	46	58.9 Å²	58.9	17%	0.174	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-115.5	151.1	170.7	-65.2	176.6	-176.9	-93.1	-4.9	110.4	R337 P374 D380 K381 L382	R337-R376 PolarHBondContact O-NH2 3.07Å; P374-R376 PolarHBondContact O-N 2.83Å; R376-D380 WeakPolarHBondContact CD-O 3.46Å; R376-D380 WeakPolarHBondContact CD-OD1 3.46Å; R376-D380 PolarHBondContact NH1-O 2.91Å; R376-D380 IonicContact NH1-OD2 2.74Å; R376-K381 CarbonylContact C-O 3.53Å; R376-K381 WeakPolarHBondContact CA-O 3.37Å; R376-L382 HydrophobicContact CG-CD2 4.04Å
377	D	75.8	Confident	73.7	Confident	73 Å²	73	60.6 Å²	60.6	39%	0.39	35%	0.348	S	S	.	.			trans	-81.8	-174.2	173.8	68.5	18	0	0	0	112	S379 D380 K381 V383	D377-S379 PolarHBondContact O-N 3.06Å; D377-S379 VanDerWaalsContact O-N 3.11Å; D377-S379 VanDerWaalsContact OD1-CA 3.31Å; D377-S379 WeakPolarHBondContact OD1-CA 3.4Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.95Å; D377-D380 PolarHBondContact O-N 3.16Å; D377-D380 PolarHBondContact OD1-N 3.03Å; D377-K381 PolarHBondContact N-O 3.37Å; D377-K381 PolarHBondContact OD1-N 3.04Å; D377-V383 HydrophobicContact CB-CG2 4.25Å
378	Q	65.7	Low	73	Confident	209 Å²	209	60.7 Å²	60.7	98%	0.977	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-2.8	179.7	-62.1	179.8	3.5	0	0	113.7
379	S	70.3	Confident	72.1	Confident	104 Å²	104	61 Å²	61	73%	0.727	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	18.3	175.8	-59.4	0	0	0	0	112.5	D377 K381	D377-S379 PolarHBondContact O-N 3.06Å; D377-S379 VanDerWaalsContact O-N 3.11Å; D377-S379 VanDerWaalsContact OD1-CA 3.31Å; D377-S379 WeakPolarHBondContact OD1-CA 3.4Å; D377-S379 WeakPolarHBondContact OD1-CB 3.46Å; D377-S379 PolarHBondContact OD1-N 2.95Å; S379-K381 PolarHBondContact O-N 2.84Å; S379-K381 VanDerWaalsContact O-N 3.13Å
380	D	63.9	Low	71	Confident	65 Å²	65	68.8 Å²	68.8	35%	0.348	41%	0.413	S	S	.	.	S	Bend	trans	60.2	11.9	-175.7	-158.1	57.2	0	0	0	114.4	R376 D377	R376-D380 WeakPolarHBondContact CD-O 3.46Å; R376-D380 WeakPolarHBondContact CD-OD1 3.46Å; R376-D380 PolarHBondContact NH1-O 2.91Å; R376-D380 IonicContact NH1-OD2 2.74Å; D377-D380 PolarHBondContact O-N 3.16Å; D377-D380 PolarHBondContact OD1-N 3.03Å
381	K	67.1	Low	70.4	Confident	145 Å²	145	65.2 Å²	65.2	63%	0.63	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-84.4	139.3	178.1	-176.8	-175.6	176.6	-174.9	0	110	R376 D377 S379 V383	R376-K381 CarbonylContact C-O 3.53Å; R376-K381 WeakPolarHBondContact CA-O 3.37Å; D377-K381 PolarHBondContact N-O 3.37Å; D377-K381 PolarHBondContact OD1-N 3.04Å; S379-K381 PolarHBondContact O-N 2.84Å; S379-K381 VanDerWaalsContact O-N 3.13Å; K381-V383 PolarHBondContact O-N 2.84Å
382	L	72.3	Confident	70.2	Confident	14 Å²	14	72.9 Å²	72.9	7%	0.073	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-60.8	132.4	177.7	-65.3	168.2	0	0	0	111.7	R337 I368 P374 R376 T384 F404	R337-L382 HydrophobicContact CB-CD1 3.46Å; R337-L382 VanDerWaalsContact CB-CD1 3.46Å; R337-L382 HydrophobicContact CG-CD1 4.16Å; I368-L382 HydrophobicContact CD1-CD1 3.69Å; I368-L382 HydrophobicContact CD1-CD2 4.13Å; P374-L382 HydrophobicContact CB-CD2 3.62Å; P374-L382 HydrophobicContact CG-CD2 3.53Å; R376-L382 HydrophobicContact CG-CD2 4.04Å; L382-T384 PolarHBondContact O-N 3.32Å; L382-F404 HydrophobicContact CB-CD1 3.81Å; L382-F404 HydrophobicContact CB-CE1 3.94Å; L382-F404 HydrophobicContact CD1-CD1 4.16Å; L382-F404 HydrophobicContact CD1-CE1 3.97Å
383	V	78.9	Confident	70.2	Confident	35 Å²	35	72.5 Å²	72.5	21%	0.212	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-78	117.3	177.2	-179.4	0	0	0	0	109.6	M375 D377 K381 C405	M375-V383 HydrophobicContact CB-CB 4.24Å; M375-V383 HydrophobicContact CB-CG2 4.25Å; M375-V383 HydrophobicContact CE-CG2 4.11Å; M375-V383 HydrophobicContact CG-CB 4.25Å; M375-V383 HydrophobicContact CG-CG2 3.8Å; M375-V383 PolarHBondContact O-N 2.82Å; M375-V383 HydrophobicContact SD-CB 4.21Å; M375-V383 HydrophobicContact SD-CG1 4.31Å; M375-V383 HydrophobicContact SD-CG2 3.92Å; D377-V383 HydrophobicContact CB-CG2 4.25Å; K381-V383 PolarHBondContact O-N 2.84Å; V383-C405 HydrophobicContact CB-CB 4.48Å; V383-C405 PolarHBondContact O-N 2.67Å; V383-C405 VanDerWaalsContact O-N 3.14Å
384	T	81.6	Confident	70.2	Confident	52 Å²	52	69.4 Å²	69.4	32%	0.319	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-93.3	153.8	178.6	62.3	0	0	0	0	112.9	L382 A388 G389 G403 F404	L382-T384 PolarHBondContact O-N 3.32Å; T384-A388 PolarHBondContact OG1-O 2.82Å; T384-G389 WeakPolarHBondContact OG1-CA 3.34Å; T384-G403 CarbonylContact C-O 3.49Å; T384-G403 WeakPolarHBondContact CA-O 3.41Å; T384-G403 WeakPolarHBondContact CB-O 3.09Å; T384-F404 HydrophobicContact CG2-CD1 4.03Å; T384-F404 HydrophobicContact CG2-CE1 3.72Å; T384-F404 HydrophobicContact CG2-CZ 4.49Å
385	C	80.3	Confident	69.5	Low	1 Å²	1	72.3 Å²	72.3	1%	0.007	44%	0.436	C	S	.	.			trans	-148	169.3	-173.4	57.9	0	0	0	0	112.3	A388 G389 G391 C399 G403	C385-A388 PolarHBondContact O-N 3.28Å; C385-G389 CarbonylContact C-O 3.53Å; C385-G391 WeakPolarHBondContact CA-O 3.35Å; C385-G391 WeakPolarHBondContact CB-O 3.21Å; C385-C399 HydrophobicContact CB-CB 3.94Å; C385-C399 WeakPolarHBondContact CB-SG 3.35Å; C385-C399 WeakPolarHBondContact SG-CA 3.47Å; C385-C399 WeakPolarHBondContact SG-CB 3.37Å; C385-C399 CovalentContact SG-SG 2.03Å; C385-C399 PolarHBondContact SG-SG 3.22Å; C385-G403 PolarHBondContact N-O 3.39Å; C385-G403 WeakPolarHBondContact O-CA 3Å
386	G	72.4	Confident	69.2	Low	53 Å²	53	73.9 Å²	73.9	55%	0.546	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	66.1	-139	177.5	0	0	0	0	0	112.6	A388 G389	G386-A388 PolarHBondContact O-N 2.77Å; G386-G389 PolarHBondContact N-O 2.03Å; G386-G389 PolarHBondContact O-N 2.84Å
387	A	59.6	Low	69.5	Low	123 Å²	123	75 Å²	75	100%	1.017	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.2	-179	0	0	0	0	0	114
388	A	56.2	Low	69.7	Low	66 Å²	66	75.1 Å²	75.1	55%	0.545	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-99.5	1.2	-178.4	0	0	0	0	0	114.1	T384 C385 G386	T384-A388 PolarHBondContact OG1-O 2.82Å; C385-A388 PolarHBondContact O-N 3.28Å; G386-A388 PolarHBondContact O-N 2.77Å
389	G	55.6	Low	70.5	Confident	17 Å²	17	68 Å²	68	18%	0.175	42%	0.419	C	S	.	.			trans	-168.7	139.8	-179	0	0	0	0	0	113.1	T384 C385 G386 G391	T384-G389 WeakPolarHBondContact OG1-CA 3.34Å; C385-G389 CarbonylContact C-O 3.53Å; G386-G389 PolarHBondContact N-O 2.03Å; G386-G389 PolarHBondContact O-N 2.84Å; G389-G391 PolarHBondContact O-N 2.78Å
390	T	55	Low	71	Confident	165 Å²	165	64.8 Å²	64.8	100%	1.012	40%	0.395	S	S	*	.	S	Bend	trans	-69.3	14.7	-177.3	55.6	0	0	0	0	114.6
391	G	60.6	Low	71.5	Confident	30 Å²	30	70.4 Å²	70.4	31%	0.309	43%	0.426	S	S	.	.			trans	-106.4	137.9	-174.6	0	0	0	0	0	113.5	C385 G389	C385-G391 WeakPolarHBondContact CA-O 3.35Å; C385-G391 WeakPolarHBondContact CB-O 3.21Å; G389-G391 PolarHBondContact O-N 2.78Å
392	I	72.1	Confident	71.6	Confident	168 Å²	168	68.3 Å²	68.3	86%	0.862	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-87	134.4	155.4	-57.1	172.7	0	0	0	106.5
393	C	76	Confident	72	Confident	14 Å²	14	68 Å²	68	10%	0.095	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-62.1	145.5	177.8	-62.9	0	0	0	0	111.7	Y397 C405	C393-Y397 WeakPolarHBondContact CB-O 3.44Å; C393-C405 WeakPolarHBondContact CA-SG 3.45Å; C393-C405 HydrophobicContact CB-CB 3.82Å; C393-C405 WeakPolarHBondContact CB-SG 3.46Å; C393-C405 WeakPolarHBondContact SG-CA 3.36Å; C393-C405 WeakPolarHBondContact SG-CB 3.36Å; C393-C405 CovalentContact SG-SG 2.04Å; C393-C405 PolarHBondContact SG-SG 2.66Å
394	P	75.6	Confident	72.2	Confident	20 Å²	20	67.6 Å²	67.6	13%	0.13	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-64.5	159.2	177.4	-22.8	34.9	0	0	0	112.6	M375 K396 Y397 S584	M375-P394 HydrophobicContact CE-CG 3.85Å; M375-P394 VanDerWaalsContact SD-CD 3.58Å; M375-P394 HydrophobicContact SD-CG 3.63Å; P394-K396 PolarHBondContact O-N 2.77Å; P394-Y397 PolarHBondContact O-N 3.05Å; P394-S584 WeakPolarHBondContact CA-OG 2.95Å
395	L	64	Low	72.3	Confident	68 Å²	68	65.2 Å²	65.2	36%	0.356	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	132.9	169.2	-82.1	156.8	0	0	0	110.4	S584	L395-S584 PolarHBondContact N-OG 2.81Å
396	K	72.7	Confident	72.6	Confident	84 Å²	84	65.6 Å²	65.6	37%	0.365	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	5.4	-168.6	-53.4	176.7	162.5	-160.8	0	117.1	P394 S408 F411 L587	P394-K396 PolarHBondContact O-N 2.77Å; K396-S408 PolarHBondContact O-N 3.17Å; K396-S408 PolarHBondContact O-OG 3.24Å; K396-F411 HydrophobicContact CB-CB 3.74Å; K396-F411 HydrophobicContact CB-CD1 3.88Å; K396-F411 HydrophobicContact CB-CD2 4.41Å; K396-F411 HydrophobicContact CB-CG 3.74Å; K396-F411 HydrophobicContact CD-CB 4.36Å; K396-F411 HydrophobicContact CD-CD1 4.28Å; K396-F411 HydrophobicContact CD-CD2 3.62Å; K396-F411 HydrophobicContact CD-CE2 3.98Å; K396-F411 HydrophobicContact CD-CG 3.81Å; K396-F411 HydrophobicContact CD-CZ 4.44Å; K396-F411 HydrophobicContact CG-CB 3.98Å; K396-F411 HydrophobicContact CG-CD2 4.19Å; K396-F411 HydrophobicContact CG-CG 3.96Å; K396-L587 HydrophobicContact CD-CD2 4.24Å
397	Y	83	Confident	73.2	Confident	69 Å²	69	63.5 Å²	63.5	27%	0.271	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.2	171.1	-70.8	-99.4	0	0	0	111.1	M375 C393 P394 C405 C406 P407	M375-Y397 HydrophobicContact CB-CD1 3.82Å; M375-Y397 HydrophobicContact CB-CE1 3.71Å; M375-Y397 HydrophobicContact CB-CG 4.48Å; M375-Y397 HydrophobicContact CG-CE1 4.4Å; C393-Y397 WeakPolarHBondContact CB-O 3.44Å; P394-Y397 PolarHBondContact O-N 3.05Å; Y397-C405 HydrophobicContact CD1-CB 4.41Å; Y397-C406 CarbonylContact C-O 3.57Å; Y397-C406 WeakPolarHBondContact CA-O 3.35Å; Y397-P407 HydrophobicContact CD1-CG 4.32Å; Y397-P407 HydrophobicContact CE1-CG 3.8Å
398	D	81.2	Confident	74.3	Confident	75 Å²	75	58.3 Å²	58.3	40%	0.401	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.3	172.7	-60.8	-27.1	0	0	0	109.2	C406 S408 R409	D398-C406 PolarHBondContact N-O 3.43Å; D398-C406 PolarHBondContact O-N 3.12Å; D398-S408 WeakPolarHBondContact OD1-CB 3.48Å; D398-S408 WeakPolarHBondContact OD2-CA 3.24Å; D398-S408 WeakPolarHBondContact OD2-CB 3.23Å; D398-R409 PolarHBondContact OD2-N 3.46Å
399	C	83.1	Confident	75.6	Confident	59 Å²	59	59.8 Å²	59.8	40%	0.399	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126	172.8	-170.3	0	0	0	0	109.9	C385	C385-C399 HydrophobicContact CB-CB 3.94Å; C385-C399 WeakPolarHBondContact CB-SG 3.35Å; C385-C399 WeakPolarHBondContact SG-CA 3.47Å; C385-C399 WeakPolarHBondContact SG-CB 3.37Å; C385-C399 CovalentContact SG-SG 2.03Å; C385-C399 PolarHBondContact SG-SG 3.22Å
400	T	80.1	Confident	76.5	Confident	38 Å²	38	59.7 Å²	59.7	23%	0.233	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-75.7	162.8	173.8	64	0	0	0	0	111.8	E402 G403 F404 C406	T400-E402 PolarHBondContact O-N 3.25Å; T400-E402 VanDerWaalsContact O-N 3.17Å; T400-E402 PolarHBondContact OG1-N 3.03Å; T400-G403 PolarHBondContact O-N 2.91Å; T400-F404 PolarHBondContact N-O 2.82Å; T400-F404 PolarHBondContact OG1-N 2.88Å; T400-F404 PolarHBondContact OG1-O 2.8Å; T400-C406 HydrophobicContact CG2-CB 3.76Å; T400-C406 WeakPolarHBondContact CG2-SG 3.43Å
401	N	73.2	Confident	77.7	Confident	183 Å²	183	54.9 Å²	54.9	98%	0.979	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.3	172.9	-63.4	-4.8	0	0	0	113	G403	N401-G403 VanDerWaalsContact C-N 3.28Å
402	E	70.1	Confident	78.9	Confident	101 Å²	101	53.4 Å²	53.4	47%	0.472	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.4	172.4	-72.4	-168.8	-150.6	0	0	113.6	R337 T400 F404	R337-E402 IonicContact CZ-OE2 2.79Å; R337-E402 IonicContact NH1-OE2 2.84Å; R337-E402 PolarHBondContact NH1-OE2 3.23Å; R337-E402 IonicContact NH2-OE2 3.76Å; R337-E402 PolarHBondContact NH2-OE2 3.37Å; R337-E402 VanDerWaalsContact NH2-OE2 3.15Å; T400-E402 PolarHBondContact O-N 3.25Å; T400-E402 VanDerWaalsContact O-N 3.17Å; T400-E402 PolarHBondContact OG1-N 3.03Å; E402-F404 HydrophobicContact CB-CD2 3.67Å; E402-F404 HydrophobicContact CB-CE2 3.93Å; E402-F404 WeakPolarHBondContact O-CE2 3.45Å
403	G	80.6	Confident	79.6	Confident	7 Å²	7	45.4 Å²	45.4	7%	0.072	23%	0.234	C	C	.	.	S	Bend	trans	82.1	32.9	-179.1	0	0	0	0	0	114.4	T384 C385 T400 N401	T384-G403 CarbonylContact C-O 3.49Å; T384-G403 WeakPolarHBondContact CA-O 3.41Å; T384-G403 WeakPolarHBondContact CB-O 3.09Å; C385-G403 PolarHBondContact N-O 3.39Å; C385-G403 WeakPolarHBondContact O-CA 3Å; T400-G403 PolarHBondContact O-N 2.91Å; N401-G403 VanDerWaalsContact C-N 3.28Å
404	F	82.3	Confident	79.9	Confident	27 Å²	27	46.9 Å²	46.9	12%	0.118	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-120.2	146.7	174.8	-61.6	-80.8	0	0	0	112.3	I368 L382 T384 T400 E402 C406	I368-F404 HydrophobicContact CG2-CB 3.97Å; I368-F404 HydrophobicContact CG2-CD2 4.33Å; I368-F404 HydrophobicContact CG2-CG 4.16Å; L382-F404 HydrophobicContact CB-CD1 3.81Å; L382-F404 HydrophobicContact CB-CE1 3.94Å; L382-F404 HydrophobicContact CD1-CD1 4.16Å; L382-F404 HydrophobicContact CD1-CE1 3.97Å; T384-F404 HydrophobicContact CG2-CD1 4.03Å; T384-F404 HydrophobicContact CG2-CE1 3.72Å; T384-F404 HydrophobicContact CG2-CZ 4.49Å; T400-F404 PolarHBondContact N-O 2.82Å; T400-F404 PolarHBondContact OG1-N 2.88Å; T400-F404 PolarHBondContact OG1-O 2.8Å; E402-F404 HydrophobicContact CB-CD2 3.67Å; E402-F404 HydrophobicContact CB-CE2 3.93Å; E402-F404 WeakPolarHBondContact O-CE2 3.45Å; F404-C406 PolarHBondContact O-N 3.3Å
405	C	85.7	Confident	80.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.3	176.7	-64.4	0	0	0	0	111.8	M375 V383 C393 Y397	M375-C405 HydrophobicContact CB-CB 3.91Å; M375-C405 PolarHBondContact N-O 2.03Å; V383-C405 HydrophobicContact CB-CB 4.48Å; V383-C405 PolarHBondContact O-N 2.67Å; V383-C405 VanDerWaalsContact O-N 3.14Å; C393-C405 WeakPolarHBondContact CA-SG 3.45Å; C393-C405 HydrophobicContact CB-CB 3.82Å; C393-C405 WeakPolarHBondContact CB-SG 3.46Å; C393-C405 WeakPolarHBondContact SG-CA 3.36Å; C393-C405 WeakPolarHBondContact SG-CB 3.36Å; C393-C405 CovalentContact SG-SG 2.04Å; C393-C405 PolarHBondContact SG-SG 2.66Å; Y397-C405 HydrophobicContact CD1-CB 4.41Å
406	C	85.7	Confident	81.4	Confident	10 Å²	10	50.9 Å²	50.9	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151.5	177.6	-76.8	0	0	0	0	112.1	I368 C369 Y397 D398 T400 F404 S408	I368-C406 PolarHBondContact O-SG 2.91Å; C369-C406 WeakPolarHBondContact CA-SG 3.39Å; C369-C406 HydrophobicContact CB-CB 3.79Å; C369-C406 WeakPolarHBondContact CB-SG 3.13Å; C369-C406 VanDerWaalsContact SG-CA 3.52Å; C369-C406 WeakPolarHBondContact SG-CB 3.19Å; C369-C406 CovalentContact SG-SG 2.03Å; C369-C406 PolarHBondContact SG-SG 2.81Å; Y397-C406 CarbonylContact C-O 3.57Å; Y397-C406 WeakPolarHBondContact CA-O 3.35Å; D398-C406 PolarHBondContact N-O 3.43Å; D398-C406 PolarHBondContact O-N 3.12Å; T400-C406 HydrophobicContact CG2-CB 3.76Å; T400-C406 WeakPolarHBondContact CG2-SG 3.43Å; F404-C406 PolarHBondContact O-N 3.3Å; C406-S408 PolarHBondContact O-N 2.83Å
407	P	85.4	Confident	82.1	Confident	8 Å²	8	51 Å²	51	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	128.2	-179.4	-29.4	38	0	0	0	112.8	E373 Y397 F411 V412	E373-P407 WeakPolarHBondContact O-CD 3.48Å; E373-P407 VanDerWaalsContact O-CG 3.27Å; E373-P407 WeakPolarHBondContact O-CG 3.49Å; Y397-P407 HydrophobicContact CD1-CG 4.32Å; Y397-P407 HydrophobicContact CE1-CG 3.8Å; P407-F411 HydrophobicContact CB-CD1 4.26Å; P407-V412 HydrophobicContact CB-CG2 3.72Å
408	S	82	Confident	82.2	Confident	15 Å²	15	48.7 Å²	48.7	11%	0.105	25%	0.253	C	S	.	.			trans	-72.4	152.8	-172	73.8	0	0	0	0	113	K396 D398 C406 G410 F411 V412	K396-S408 PolarHBondContact O-N 3.17Å; K396-S408 PolarHBondContact O-OG 3.24Å; D398-S408 WeakPolarHBondContact OD1-CB 3.48Å; D398-S408 WeakPolarHBondContact OD2-CA 3.24Å; D398-S408 WeakPolarHBondContact OD2-CB 3.23Å; C406-S408 PolarHBondContact O-N 2.83Å; S408-G410 VanDerWaalsContact C-N 3.27Å; S408-G410 PolarHBondContact O-N 2.79Å; S408-F411 PolarHBondContact O-N 2.87Å; S408-F411 PolarHBondContact OG-N 3.01Å; S408-V412 WeakPolarHBondContact O-CG2 3.45Å; S408-V412 PolarHBondContact O-N 2.78Å
409	R	83.2	Confident	82.2	Confident	97 Å²	97	49 Å²	49	37%	0.366	25%	0.254	S	S	.	.	H	α-helix	trans	-51.3	-46.2	178.7	-71.3	-177.3	162.9	93.1	-5.3	112.6	D398 F411 V412 C413 F462 S466	D398-R409 PolarHBondContact OD2-N 3.46Å; R409-F411 VanDerWaalsContact C-N 3.3Å; R409-F411 PolarHBondContact O-N 2.85Å; R409-V412 PolarHBondContact O-N 2.96Å; R409-C413 WeakPolarHBondContact O-CB 3.5Å; R409-C413 PolarHBondContact O-N 3.12Å; R409-C413 PolarHBondContact O-SG 3.06Å; R409-F462 HydrophobicContact CB-CE1 4.41Å; R409-F462 WeakPolarHBondContact CD-O 3.46Å; R409-F462 HydrophobicContact CG-CD1 4.27Å; R409-F462 HydrophobicContact CG-CE1 3.96Å; R409-F462 HydrophobicContact CG-CZ 4.1Å; R409-F462 WeakPolarHBondContact CG-O 3.21Å; R409-F462 PolarHBondContact NE-O 3.14Å; R409-S466 PolarHBondContact O-OG 3.45Å
410	G	74.7	Confident	81.4	Confident	14 Å²	14	47.8 Å²	47.8	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-26.8	178.5	0	0	0	0	0	114.1	S408 N414 S466	S408-G410 VanDerWaalsContact C-N 3.27Å; S408-G410 PolarHBondContact O-N 2.79Å; G410-N414 PolarHBondContact O-ND2 2.87Å; G410-S466 PolarHBondContact N-OG 2.78Å
411	F	81.1	Confident	80.7	Confident	64 Å²	64	50.4 Å²	50.4	28%	0.281	27%	0.271	S	S	.	.	H	α-helix	trans	-84.1	-35.1	176	174.1	-129.9	0	0	0	113.3	K396 P407 S408 R409 Q415	K396-F411 HydrophobicContact CB-CB 3.74Å; K396-F411 HydrophobicContact CB-CD1 3.88Å; K396-F411 HydrophobicContact CB-CD2 4.41Å; K396-F411 HydrophobicContact CB-CG 3.74Å; K396-F411 HydrophobicContact CD-CB 4.36Å; K396-F411 HydrophobicContact CD-CD1 4.28Å; K396-F411 HydrophobicContact CD-CD2 3.62Å; K396-F411 HydrophobicContact CD-CE2 3.98Å; K396-F411 HydrophobicContact CD-CG 3.81Å; K396-F411 HydrophobicContact CD-CZ 4.44Å; K396-F411 HydrophobicContact CG-CB 3.98Å; K396-F411 HydrophobicContact CG-CD2 4.19Å; K396-F411 HydrophobicContact CG-CG 3.96Å; P407-F411 HydrophobicContact CB-CD1 4.26Å; S408-F411 PolarHBondContact O-N 2.87Å; S408-F411 PolarHBondContact OG-N 3.01Å; R409-F411 VanDerWaalsContact C-N 3.3Å; R409-F411 PolarHBondContact O-N 2.85Å; F411-Q415 WeakPolarHBondContact O-CG 3.09Å; F411-Q415 PolarHBondContact O-NE2 2.89Å
412	V	85.4	Confident	80.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-74.2	-56.4	178.9	173.2	0	0	0	0	111.1	A371 P407 S408 R409 N414 Q415 A450 N451 F453 F462	A371-V412 HydrophobicContact CB-CG1 3.89Å; A371-V412 HydrophobicContact CB-CG2 4.21Å; P407-V412 HydrophobicContact CB-CG2 3.72Å; S408-V412 WeakPolarHBondContact O-CG2 3.45Å; S408-V412 PolarHBondContact O-N 2.78Å; R409-V412 PolarHBondContact O-N 2.96Å; V412-N414 PolarHBondContact O-N 2.84Å; V412-N414 VanDerWaalsContact O-N 3.16Å; V412-Q415 WeakPolarHBondContact O-CB 3.02Å; V412-Q415 WeakPolarHBondContact O-CG 2.98Å; V412-Q415 PolarHBondContact O-N 3.46Å; V412-A450 HydrophobicContact CB-CB 4.34Å; V412-A450 HydrophobicContact CG1-CB 3.93Å; V412-A450 WeakPolarHBondContact CG1-O 3.49Å; V412-A450 HydrophobicContact CG2-CB 3.82Å; V412-N451 HydrophobicContact CG1-CB 4.41Å; V412-F453 HydrophobicContact CG1-CZ 4.18Å; V412-F462 HydrophobicContact CB-CE1 3.81Å; V412-F462 HydrophobicContact CG1-CD1 4.35Å; V412-F462 HydrophobicContact CG1-CE1 3.95Å; V412-F462 HydrophobicContact CG2-CE1 3.96Å; V412-F462 HydrophobicContact CG2-CZ 4.34Å
413	C	87.4	Confident	79.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.8	-166.4	-50.8	0	0	0	0	114	R409 F431 C463	R409-C413 WeakPolarHBondContact O-CB 3.5Å; R409-C413 PolarHBondContact O-N 3.12Å; R409-C413 PolarHBondContact O-SG 3.06Å; C413-F431 HydrophobicContact CB-CB 4.3Å; C413-F431 HydrophobicContact CB-CD1 3.93Å; C413-F431 HydrophobicContact CB-CG 4.27Å; C413-F431 WeakPolarHBondContact O-CD1 3.35Å; C413-C463 HydrophobicContact CB-CB 3.71Å; C413-C463 WeakPolarHBondContact CB-SG 3.49Å; C413-C463 WeakPolarHBondContact SG-CA 3.41Å; C413-C463 WeakPolarHBondContact SG-CB 3.27Å; C413-C463 CovalentContact SG-SG 2.03Å; C413-C463 PolarHBondContact SG-SG 3.3Å
414	N	82.3	Confident	78.5	Confident	44 Å²	44	50.4 Å²	50.4	24%	0.235	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.2	173.5	-68.6	-61.5	0	0	0	112.8	G410 V412 P467 E469	G410-N414 PolarHBondContact O-ND2 2.87Å; V412-N414 PolarHBondContact O-N 2.84Å; V412-N414 VanDerWaalsContact O-N 3.16Å; N414-P467 PolarHBondContact ND2-O 3.39Å; N414-E469 PolarHBondContact OD1-N 3.18Å
415	Q	83.3	Confident	77.7	Confident	34 Å²	34	56.6 Å²	56.6	16%	0.159	30%	0.298	C	S	.	.	S	Bend	trans	-83	137.7	172.1	-61.4	173.1	14.1	0	0	110.8	F411 V412 N449 A450 N451	F411-Q415 WeakPolarHBondContact O-CG 3.09Å; F411-Q415 PolarHBondContact O-NE2 2.89Å; V412-Q415 WeakPolarHBondContact O-CB 3.02Å; V412-Q415 WeakPolarHBondContact O-CG 2.98Å; V412-Q415 PolarHBondContact O-N 3.46Å; Q415-N449 VanDerWaalsContact OE1-CB 3.29Å; Q415-N449 VanDerWaalsContact OE1-CG 3.27Å; Q415-A450 VanDerWaalsContact OE1-N 3.15Å; Q415-N451 HydrophobicContact CB-CB 4.09Å; Q415-N451 PolarHBondContact O-ND2 2.94Å
416	E	86.3	Confident	76.9	Confident	138 Å²	138	59.6 Å²	59.6	65%	0.645	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-63.2	154.6	169.8	-62.8	166.5	-159.8	0	0	110.3	A418 N449 K619	E416-A418 PolarHBondContact O-N 3.36Å; E416-N449 PolarHBondContact O-ND2 3.22Å; E416-K619 IonicContact OE1-NZ 3.41Å; E416-K619 PolarHBondContact OE1-NZ 3.21Å
417	Q	87.2	Confident	76.7	Confident	87 Å²	87	63.2 Å²	63.2	41%	0.407	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-59	134.6	177.3	67.7	-177.5	7	0	0	111.5	Y430 F441	Q417-Y430 HydrophobicContact CB-CD1 4.06Å; Q417-Y430 HydrophobicContact CB-CD2 3.79Å; Q417-Y430 HydrophobicContact CB-CE1 4.23Å; Q417-Y430 HydrophobicContact CB-CE2 3.95Å; Q417-Y430 HydrophobicContact CB-CG 3.86Å; Q417-Y430 VanDerWaalsContact OE1-CE1 3.32Å; Q417-F441 HydrophobicContact CB-CD2 4.11Å; Q417-F441 HydrophobicContact CB-CE2 4.5Å; Q417-F441 HydrophobicContact CB-CG 4.24Å
418	A	85.4	Confident	76.8	Confident	21 Å²	21	64.5 Å²	64.5	17%	0.174	34%	0.336	C	S	.	.			trans	-115.1	96.3	177.7	0	0	0	0	0	110.8	E416 G420 N449	E416-A418 PolarHBondContact O-N 3.36Å; A418-G420 VanDerWaalsContact C-N 3.25Å; A418-G420 PolarHBondContact O-N 2.04Å; A418-N449 HydrophobicContact CB-CB 3.92Å; A418-N449 WeakPolarHBondContact CB-ND2 3.43Å
419	I	81.1	Confident	77.2	Confident	81 Å²	81	67.2 Å²	67.2	42%	0.415	34%	0.344	S	S	.	.			trans	-58	-40.1	176.4	-61.2	173.2	0	0	0	110.5	Y425 F443 S444	I419-Y425 HydrophobicContact CG2-CE1 4.4Å; I419-F443 WeakPolarHBondContact O-CD2 3.44Å; I419-S444 WeakPolarHBondContact O-CB 3.02Å; I419-S444 PolarHBondContact O-N 2.92Å; I419-S444 PolarHBondContact O-OG 3.46Å
420	G	67.5	Low	77.6	Confident	34 Å²	34	63.6 Å²	63.6	35%	0.351	33%	0.33	S	S	.	.			trans	82.7	-163.1	-175	0	0	0	0	0	113.1	A418 S444 C446 H447	A418-G420 VanDerWaalsContact C-N 3.25Å; A418-G420 PolarHBondContact O-N 2.04Å; G420-S444 WeakPolarHBondContact CA-OG 3.03Å; G420-C446 WeakPolarHBondContact CA-O 3.14Å; G420-H447 WeakPolarHBondContact CA-O 3.45Å
421	S	64.9	Low	78.3	Confident	92 Å²	92	63 Å²	63	64%	0.643	32%	0.324	S	S	*	.	S	Bend	trans	-137.8	22.7	-171	70.3	0	0	0	0	114.9	S444 H447	S421-S444 PolarHBondContact N-OG 3.31Å; S421-S444 VanDerWaalsContact N-OG 3.13Å; S421-H447 PolarHBondContact OG-CD2 2.91Å; S421-H447 VanDerWaalsContact OG-CD2 3.3Å
422	C	64.3	Low	78.5	Confident	46 Å²	46	61 Å²	61	31%	0.311	32%	0.316	S	S	.	.	S	Bend	trans	-89.1	-173.8	168	-85.4	0	0	0	0	110.9	S444 C446	C422-S444 WeakPolarHBondContact CB-O 3.29Å; C422-S444 PolarHBondContact N-OG 3.21Å; C422-S444 VanDerWaalsContact N-OG 3.1Å; C422-S444 WeakPolarHBondContact O-CB 3.05Å; C422-C446 HydrophobicContact CB-CB 3.98Å; C422-C446 WeakPolarHBondContact CB-SG 3.18Å; C422-C446 WeakPolarHBondContact SG-CB 3.5Å; C422-C446 CovalentContact SG-SG 2.03Å; C422-C446 PolarHBondContact SG-SG 3.2Å
423	I	49.8	Very low	77.9	Confident	138 Å²	138	62.4 Å²	62.4	71%	0.708	33%	0.325	S	S	*	.	S	Bend	trans	-107	-6.4	-175.3	60.6	175.3	0	0	0	114.7
424	N	63.4	Low	77	Confident	107 Å²	107	70 Å²	70	57%	0.572	36%	0.358	S	S	*	.			trans	-98.9	94.4	-172.5	-71.6	16.5	0	0	0	110.8	V426 S444 G445	N424-V426 PolarHBondContact O-N 2.9Å; N424-S444 CarbonylContact C-O 3.44Å; N424-S444 PolarHBondContact N-O 3.38Å; N424-S444 VanDerWaalsContact N-O 3.12Å; N424-S444 CarbonylContact O-C 3.52Å; N424-S444 VanDerWaalsContact O-CA 3.24Å; N424-S444 WeakPolarHBondContact O-CA 3.31Å; N424-G445 PolarHBondContact O-N 3.1Å
425	Y	65.7	Low	76.7	Confident	158 Å²	158	70.6 Å²	70.6	62%	0.62	37%	0.366	S	S	*	.			trans	-74	93.8	179.2	-63.3	-82.6	0	0	0	112	I419	I419-Y425 HydrophobicContact CG2-CE1 4.4Å
426	V	69.8	Low	76.2	Confident	63 Å²	63	71.6 Å²	71.6	38%	0.382	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.2	173.1	-175.6	0	0	0	0	108.9	N424 F443	N424-V426 PolarHBondContact O-N 2.9Å; V426-F443 PolarHBondContact N-O 2.82Å; V426-F443 PolarHBondContact O-N 2.04Å
427	E	80.7	Confident	75.9	Confident	87 Å²	87	66 Å²	66	41%	0.407	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.4	172.4	-173.8	160.1	-135.8	0	0	110.7	R440 Y442	E427-R440 HydrophobicContact CG-CB 4.32Å; E427-R440 WeakPolarHBondContact OE1-CB 3.21Å; E427-R440 WeakPolarHBondContact OE1-CD 3.07Å; E427-R440 WeakPolarHBondContact OE1-CG 3.33Å; E427-R440 IonicContact OE1-CZ 3.65Å; E427-R440 IonicContact OE1-NE 3.82Å; E427-R440 IonicContact OE1-NH1 2.77Å; E427-R440 PolarHBondContact OE1-NH1 3.24Å; E427-Y442 HydrophobicContact CB-CD1 4.48Å; E427-Y442 HydrophobicContact CB-CE1 4.44Å
428	R	86.6	Confident	76	Confident	35 Å²	35	62.3 Å²	62.3	13%	0.132	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	165.3	-176.3	-70.7	-64.4	174.8	80.9	-3.7	110.2	R440 F441 F443 N452 F453	R428-R440 CarbonylContact O-C 3.56Å; R428-R440 WeakPolarHBondContact O-CA 3.31Å; R428-F441 HydrophobicContact CB-CD1 4Å; R428-F441 HydrophobicContact CB-CE1 3.52Å; R428-F441 HydrophobicContact CB-CZ 3.98Å; R428-F441 PolarHBondContact N-O 2.6Å; R428-F441 WeakPolarHBondContact O-CD1 3.37Å; R428-F441 PolarHBondContact O-N 3.06Å; R428-F441 VanDerWaalsContact O-O 3.14Å; R428-F443 HydrophobicContact CB-CB 4.13Å; R428-F443 HydrophobicContact CG-CB 3.64Å; R428-F443 HydrophobicContact CG-CD1 4.27Å; R428-F443 HydrophobicContact CG-CG 4.37Å; R428-N452 WeakPolarHBondContact CG-OD1 3.31Å; R428-N452 PolarHBondContact NH1-OD1 3.25Å; R428-F453 VanDerWaalsContact CD-O 3.23Å; R428-F453 WeakPolarHBondContact CD-O 3.02Å
429	W	90	Very high	76.3	Confident	71 Å²	71	64.3 Å²	64.3	27%	0.269	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.7	176.8	-64.1	84.4	0	0	0	110.5	C438 E439 R440 F453 S455 Y456 C459	W429-C438 HydrophobicContact CE3-CB 4.31Å; W429-C438 WeakPolarHBondContact CZ3-O 2.94Å; W429-E439 WeakPolarHBondContact CA-O 3.31Å; W429-E439 VanDerWaalsContact CE3-C 3.47Å; W429-R440 HydrophobicContact CD2-CB 4.39Å; W429-R440 HydrophobicContact CE3-CB 4.23Å; W429-R440 HydrophobicContact CH2-CB 4.21Å; W429-R440 HydrophobicContact CZ2-CB 4.34Å; W429-R440 HydrophobicContact CZ3-CB 4.15Å; W429-F453 HydrophobicContact CB-CB 4.32Å; W429-F453 PolarHBondContact N-O 3.06Å; W429-F453 WeakPolarHBondContact O-CD2 3.27Å; W429-F453 PolarHBondContact O-N 2.67Å; W429-S455 VanDerWaalsContact CD1-CA 3.5Å; W429-Y456 HydrophobicContact CD2-CD2 4.44Å; W429-Y456 AromaticContact CE3-CD2 3.76Å; W429-Y456 HydrophobicContact CE3-CD2 3.76Å; W429-Y456 HydrophobicContact CE3-CG 4.44Å; W429-Y456 HydrophobicContact CH2-CD2 4.17Å; W429-Y456 AromaticContact CZ3-CD2 3.61Å; W429-Y456 HydrophobicContact CZ3-CD2 3.61Å; W429-Y456 HydrophobicContact CZ3-CE2 4.46Å; W429-Y456 HydrophobicContact CZ3-CG 4.37Å; W429-C459 HydrophobicContact CB-CB 3.97Å
430	Y	92.5	Very high	76.7	Confident	21 Å²	21	67.5 Å²	67.5	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.7	169.1	84.3	-70.3	0	0	0	108.9	Q417 N432 C438 E439 F441 N451 C459	Q417-Y430 HydrophobicContact CB-CD1 4.06Å; Q417-Y430 HydrophobicContact CB-CD2 3.79Å; Q417-Y430 HydrophobicContact CB-CE1 4.23Å; Q417-Y430 HydrophobicContact CB-CE2 3.95Å; Q417-Y430 HydrophobicContact CB-CG 3.86Å; Q417-Y430 VanDerWaalsContact OE1-CE1 3.32Å; Y430-N432 HydrophobicContact CE2-CB 3.73Å; Y430-N432 PolarHBondContact OH-ND2 3.21Å; Y430-C438 CarbonylContact O-C 3.56Å; Y430-C438 WeakPolarHBondContact O-CA 3.39Å; Y430-E439 HydrophobicContact CD1-CB 4.1Å; Y430-E439 VanDerWaalsContact CD1-O 3.32Å; Y430-E439 WeakPolarHBondContact CD1-O 3.43Å; Y430-E439 HydrophobicContact CE1-CB 3.51Å; Y430-E439 PolarHBondContact N-O 2.64Å; Y430-E439 PolarHBondContact O-N 2.86Å; Y430-E439 PolarHBondContact OH-OE2 3.49Å; Y430-F441 HydrophobicContact CD1-CB 4.05Å; Y430-F441 AromaticContact CD1-CD1 3.78Å; Y430-F441 HydrophobicContact CD1-CD1 3.78Å; Y430-F441 HydrophobicContact CD1-CG 4.14Å; Y430-F441 HydrophobicContact CE1-CB 4.37Å; Y430-F441 HydrophobicContact CG-CD1 4.18Å; Y430-N451 VanDerWaalsContact CB-O 3.24Å; Y430-N451 WeakPolarHBondContact CB-O 3.41Å; Y430-C459 VanDerWaalsContact C-SG 3.57Å
431	F	89.5	Confident	77.8	Confident	3 Å²	3	66.3 Å²	66.3	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.5	171.4	-175.3	-90.8	0	0	0	109.3	C413 P433 R436 N451 C459 C463 V468	C413-F431 HydrophobicContact CB-CB 4.3Å; C413-F431 HydrophobicContact CB-CD1 3.93Å; C413-F431 HydrophobicContact CB-CG 4.27Å; C413-F431 WeakPolarHBondContact O-CD1 3.35Å; F431-P433 WeakPolarHBondContact O-CD 3.44Å; F431-R436 VanDerWaalsContact CE2-O 3.29Å; F431-R436 WeakPolarHBondContact CE2-O 3.45Å; F431-R436 HydrophobicContact CZ-CB 4.1Å; F431-N451 PolarHBondContact N-OD1 3.39Å; F431-N451 PolarHBondContact O-ND2 2.92Å; F431-C459 PolarHBondContact N-SG 2.7Å; F431-C463 HydrophobicContact CB-CB 3.5Å; F431-C463 VanDerWaalsContact CB-CB 3.5Å; F431-C463 HydrophobicContact CD1-CB 4.22Å; F431-C463 HydrophobicContact CD2-CB 3.36Å; F431-C463 HydrophobicContact CE2-CB 4.07Å; F431-C463 WeakPolarHBondContact CE2-O 3.37Å; F431-C463 HydrophobicContact CG-CB 3.42Å; F431-C463 VanDerWaalsContact CG-CB 3.42Å; F431-V468 HydrophobicContact CE1-CG2 3.63Å; F431-V468 HydrophobicContact CZ-CG2 3.76Å
432	N	84.3	Confident	78.8	Confident	20 Å²	20	68 Å²	68	11%	0.107	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110.1	175.7	-177.3	-3.8	0	0	0	110	Y430 K434 S435 R436 G437 E439	Y430-N432 HydrophobicContact CE2-CB 3.73Å; Y430-N432 PolarHBondContact OH-ND2 3.21Å; N432-K434 PolarHBondContact O-N 2.98Å; N432-K434 VanDerWaalsContact OD1-CB 3.27Å; N432-K434 WeakPolarHBondContact OD1-CB 3.15Å; N432-K434 WeakPolarHBondContact OD1-CG 3.4Å; N432-K434 PolarHBondContact OD1-N 3.46Å; N432-S435 WeakPolarHBondContact CB-OG 3.33Å; N432-S435 PolarHBondContact O-N 3.46Å; N432-S435 PolarHBondContact O-OG 2.78Å; N432-R436 WeakPolarHBondContact O-CA 3.35Å; N432-R436 PolarHBondContact O-N 3.48Å; N432-G437 PolarHBondContact N-O 2.79Å; N432-E439 VanDerWaalsContact CB-CD 3.45Å; N432-E439 HydrophobicContact CB-CG 4.26Å; N432-E439 WeakPolarHBondContact CB-OE1 3.29Å; N432-E439 WeakPolarHBondContact CB-OE2 3.36Å; N432-E439 PolarHBondContact ND2-OE1 2.89Å; N432-E439 PolarHBondContact ND2-OE2 2.96Å
433	P	73.2	Confident	79.3	Confident	31 Å²	31	66.1 Å²	66.1	20%	0.201	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.9	179.5	27.5	-35.6	0	0	0	113.7	F431 V468	F431-P433 WeakPolarHBondContact O-CD 3.44Å; P433-V468 HydrophobicContact CB-CG1 3.68Å
434	K	68.3	Low	80.3	Confident	160 Å²	160	59.6 Å²	59.6	70%	0.696	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-43.4	176.3	-61.5	177.9	-179.7	175.1	0	112.5	N432 K471	N432-K434 PolarHBondContact O-N 2.98Å; N432-K434 VanDerWaalsContact OD1-CB 3.27Å; N432-K434 WeakPolarHBondContact OD1-CB 3.15Å; N432-K434 WeakPolarHBondContact OD1-CG 3.4Å; N432-K434 PolarHBondContact OD1-N 3.46Å; K434-K471 PolarHBondContact O-NZ 3.29Å
435	S	77.8	Confident	80.3	Confident	55 Å²	55	55.6 Å²	55.6	39%	0.385	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-19.2	178.7	57.1	0	0	0	0	112.9	N432 G437 E439	N432-S435 WeakPolarHBondContact CB-OG 3.33Å; N432-S435 PolarHBondContact O-N 3.46Å; N432-S435 PolarHBondContact O-OG 2.78Å; S435-G437 PolarHBondContact O-N 2.03Å; S435-G437 PolarHBondContact OG-N 2.8Å; S435-E439 WeakPolarHBondContact CB-OE1 3.33Å; S435-E439 PolarHBondContact OG-OE1 3.03Å
436	R	72.4	Confident	80.2	Confident	56 Å²	56	49.1 Å²	49.1	21%	0.211	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	22.8	-168.8	-52.9	-165.3	-173.8	150.2	4.4	113.9	F431 N432 V468 D506 Q508	F431-R436 VanDerWaalsContact CE2-O 3.29Å; F431-R436 WeakPolarHBondContact CE2-O 3.45Å; F431-R436 HydrophobicContact CZ-CB 4.1Å; N432-R436 WeakPolarHBondContact O-CA 3.35Å; N432-R436 PolarHBondContact O-N 3.48Å; R436-V468 HydrophobicContact CG-CG1 4.42Å; R436-V468 HydrophobicContact CG-CG2 4.16Å; R436-D506 IonicContact CZ-OD1 2.73Å; R436-D506 IonicContact CZ-OD2 2.72Å; R436-D506 IonicContact NH2-OD1 2.69Å; R436-D506 PolarHBondContact NH2-OD1 3.43Å; R436-D506 IonicContact NH2-OD2 2.77Å; R436-D506 PolarHBondContact NH2-OD2 3.44Å; R436-Q508 VanDerWaalsContact CZ-OE1 3.25Å; R436-Q508 VanDerWaalsContact NH1-CB 3.32Å
437	G	79.5	Confident	80	Confident	20 Å²	20	52.8 Å²	52.8	21%	0.206	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	162.2	174.1	0	0	0	0	0	112	N432 S435	N432-G437 PolarHBondContact N-O 2.79Å; S435-G437 PolarHBondContact O-N 2.03Å; S435-G437 PolarHBondContact OG-N 2.8Å
438	C	89.6	Confident	79.6	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.4	165.5	-72.1	0	0	0	0	110.4	W429 Y430 Y456 C459 M460	W429-C438 HydrophobicContact CE3-CB 4.31Å; W429-C438 WeakPolarHBondContact CZ3-O 2.94Å; Y430-C438 CarbonylContact O-C 3.56Å; Y430-C438 WeakPolarHBondContact O-CA 3.39Å; C438-Y456 HydrophobicContact CB-CD2 3.65Å; C438-Y456 HydrophobicContact CB-CE2 3.78Å; C438-C459 HydrophobicContact CB-CB 3.7Å; C438-C459 WeakPolarHBondContact CB-SG 3.47Å; C438-C459 WeakPolarHBondContact SG-CB 3.48Å; C438-C459 CovalentContact SG-SG 2.02Å; C438-C459 PolarHBondContact SG-SG 2.79Å; C438-M460 HydrophobicContact CB-CG 4.05Å; C438-M460 HydrophobicContact CB-SD 3.89Å; C438-M460 PolarHBondContact SG-N 2.76Å; C438-M460 VanDerWaalsContact SG-N 3.43Å
439	E	91	Very high	79.3	Confident	63 Å²	63	50.9 Å²	50.9	29%	0.294	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	150.4	-178.4	-76.1	168.2	-155.3	0	0	110	W429 Y430 N432 S435	W429-E439 WeakPolarHBondContact CA-O 3.31Å; W429-E439 VanDerWaalsContact CE3-C 3.47Å; Y430-E439 HydrophobicContact CD1-CB 4.1Å; Y430-E439 VanDerWaalsContact CD1-O 3.32Å; Y430-E439 WeakPolarHBondContact CD1-O 3.43Å; Y430-E439 HydrophobicContact CE1-CB 3.51Å; Y430-E439 PolarHBondContact N-O 2.64Å; Y430-E439 PolarHBondContact O-N 2.86Å; Y430-E439 PolarHBondContact OH-OE2 3.49Å; N432-E439 VanDerWaalsContact CB-CD 3.45Å; N432-E439 HydrophobicContact CB-CG 4.26Å; N432-E439 WeakPolarHBondContact CB-OE1 3.29Å; N432-E439 WeakPolarHBondContact CB-OE2 3.36Å; N432-E439 PolarHBondContact ND2-OE1 2.89Å; N432-E439 PolarHBondContact ND2-OE2 2.96Å; S435-E439 WeakPolarHBondContact CB-OE1 3.33Å; S435-E439 PolarHBondContact OG-OE1 3.03Å
440	R	89.1	Confident	79.2	Confident	149 Å²	149	48.1 Å²	48.1	56%	0.562	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.6	178.2	73.1	-161.6	-171.8	85.2	2.6	111	E427 R428 W429	E427-R440 HydrophobicContact CG-CB 4.32Å; E427-R440 WeakPolarHBondContact OE1-CB 3.21Å; E427-R440 WeakPolarHBondContact OE1-CD 3.07Å; E427-R440 WeakPolarHBondContact OE1-CG 3.33Å; E427-R440 IonicContact OE1-CZ 3.65Å; E427-R440 IonicContact OE1-NE 3.82Å; E427-R440 IonicContact OE1-NH1 2.77Å; E427-R440 PolarHBondContact OE1-NH1 3.24Å; R428-R440 CarbonylContact O-C 3.56Å; R428-R440 WeakPolarHBondContact O-CA 3.31Å; W429-R440 HydrophobicContact CD2-CB 4.39Å; W429-R440 HydrophobicContact CE3-CB 4.23Å; W429-R440 HydrophobicContact CH2-CB 4.21Å; W429-R440 HydrophobicContact CZ2-CB 4.34Å; W429-R440 HydrophobicContact CZ3-CB 4.15Å
441	F	90.5	Very high	79	Confident	9 Å²	9	47.1 Å²	47.1	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160	175.1	82.2	-73.6	0	0	0	110.9	Q417 R428 Y430 F443 N452	Q417-F441 HydrophobicContact CB-CD2 4.11Å; Q417-F441 HydrophobicContact CB-CE2 4.5Å; Q417-F441 HydrophobicContact CB-CG 4.24Å; R428-F441 HydrophobicContact CB-CD1 4Å; R428-F441 HydrophobicContact CB-CE1 3.52Å; R428-F441 HydrophobicContact CB-CZ 3.98Å; R428-F441 PolarHBondContact N-O 2.6Å; R428-F441 WeakPolarHBondContact O-CD1 3.37Å; R428-F441 PolarHBondContact O-N 3.06Å; R428-F441 VanDerWaalsContact O-O 3.14Å; Y430-F441 HydrophobicContact CD1-CB 4.05Å; Y430-F441 AromaticContact CD1-CD1 3.78Å; Y430-F441 HydrophobicContact CD1-CD1 3.78Å; Y430-F441 HydrophobicContact CD1-CG 4.14Å; Y430-F441 HydrophobicContact CE1-CB 4.37Å; Y430-F441 HydrophobicContact CG-CD1 4.18Å; F441-F443 HydrophobicContact CE2-CB 3.87Å; F441-F443 HydrophobicContact CZ-CB 4.06Å; F441-N452 HydrophobicContact CZ-CB 4.18Å
442	Y	86.9	Confident	79	Confident	128 Å²	128	47.2 Å²	47.2	50%	0.502	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.7	171.8	-62.2	-69.7	0	0	0	110.7	E427	E427-Y442 HydrophobicContact CB-CD1 4.48Å; E427-Y442 HydrophobicContact CB-CE1 4.44Å
443	F	75.3	Confident	79.1	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.8	170.8	174.6	-127.9	0	0	0	109.8	I419 V426 R428 F441 G445 C446 N452	I419-F443 WeakPolarHBondContact O-CD2 3.44Å; V426-F443 PolarHBondContact N-O 2.82Å; V426-F443 PolarHBondContact O-N 2.04Å; R428-F443 HydrophobicContact CB-CB 4.13Å; R428-F443 HydrophobicContact CG-CB 3.64Å; R428-F443 HydrophobicContact CG-CD1 4.27Å; R428-F443 HydrophobicContact CG-CG 4.37Å; F441-F443 HydrophobicContact CE2-CB 3.87Å; F441-F443 HydrophobicContact CZ-CB 4.06Å; F443-G445 VanDerWaalsContact CE1-CA 3.49Å; F443-G445 WeakPolarHBondContact CE1-O 3.2Å; F443-G445 WeakPolarHBondContact CZ-O 3.49Å; F443-G445 PolarHBondContact O-N 3.01Å; F443-C446 WeakPolarHBondContact CE2-O 3.15Å; F443-C446 VanDerWaalsContact CZ-N 3.32Å; F443-N452 WeakPolarHBondContact CD1-ND2 3.37Å; F443-N452 WeakPolarHBondContact CD2-ND2 3.38Å; F443-N452 WeakPolarHBondContact CG-ND2 3.29Å
444	S	71	Confident	79.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	25%	0.253	C	S	.	.			trans	-67.3	-3.6	-177.1	67.4	0	0	0	0	115.8	I419 G420 S421 C422 N424 C446	I419-S444 WeakPolarHBondContact O-CB 3.02Å; I419-S444 PolarHBondContact O-N 2.92Å; I419-S444 PolarHBondContact O-OG 3.46Å; G420-S444 WeakPolarHBondContact CA-OG 3.03Å; S421-S444 PolarHBondContact N-OG 3.31Å; S421-S444 VanDerWaalsContact N-OG 3.13Å; C422-S444 WeakPolarHBondContact CB-O 3.29Å; C422-S444 PolarHBondContact N-OG 3.21Å; C422-S444 VanDerWaalsContact N-OG 3.1Å; C422-S444 WeakPolarHBondContact O-CB 3.05Å; N424-S444 CarbonylContact C-O 3.44Å; N424-S444 PolarHBondContact N-O 3.38Å; N424-S444 VanDerWaalsContact N-O 3.12Å; N424-S444 CarbonylContact O-C 3.52Å; N424-S444 VanDerWaalsContact O-CA 3.24Å; N424-S444 WeakPolarHBondContact O-CA 3.31Å; S444-C446 PolarHBondContact OG-O 3.08Å
445	G	63.4	Low	80	Confident	23 Å²	23	44.7 Å²	44.7	24%	0.237	23%	0.233	C	C	.	.	S	Bend	trans	99.9	-21.7	180	0	0	0	0	0	114.7	Q362 N424 F443	Q362-G445 PolarHBondContact NE2-O 3.25Å; N424-G445 PolarHBondContact O-N 3.1Å; F443-G445 VanDerWaalsContact CE1-CA 3.49Å; F443-G445 WeakPolarHBondContact CE1-O 3.2Å; F443-G445 WeakPolarHBondContact CZ-O 3.49Å; F443-G445 PolarHBondContact O-N 3.01Å
446	C	63.5	Low	80.2	Confident	22 Å²	22	46.5 Å²	46.5	15%	0.149	23%	0.232	C	C	.	.	S	Bend	trans	-144.7	169.6	177.7	77.4	0	0	0	0	112.5	G420 C422 F443 S444 G448	G420-C446 WeakPolarHBondContact CA-O 3.14Å; C422-C446 HydrophobicContact CB-CB 3.98Å; C422-C446 WeakPolarHBondContact CB-SG 3.18Å; C422-C446 WeakPolarHBondContact SG-CB 3.5Å; C422-C446 CovalentContact SG-SG 2.03Å; C422-C446 PolarHBondContact SG-SG 3.2Å; F443-C446 WeakPolarHBondContact CE2-O 3.15Å; F443-C446 VanDerWaalsContact CZ-N 3.32Å; S444-C446 PolarHBondContact OG-O 3.08Å; C446-G448 PolarHBondContact O-N 3.48Å
447	H	65.4	Low	80.6	Confident	140 Å²	140	49.7 Å²	49.7	65%	0.648	25%	0.25	S	C	*	.	S	Bend	trans	53.8	32.1	179.1	-59.6	-61.3	0	0	0	115.4	G420 S421	G420-H447 WeakPolarHBondContact CA-O 3.45Å; S421-H447 PolarHBondContact OG-CD2 2.91Å; S421-H447 VanDerWaalsContact OG-CD2 3.3Å
448	G	71.2	Confident	80.7	Confident	33 Å²	33	51.5 Å²	51.5	34%	0.34	25%	0.252	S	S	.	.			trans	-80.3	-174.3	169.4	0	0	0	0	0	112.1	C446	C446-G448 PolarHBondContact O-N 3.48Å
449	N	81.5	Confident	80.7	Confident	49 Å²	49	51 Å²	51	26%	0.262	25%	0.25	S	C	.	.			trans	-118.7	-168.2	171.9	69.8	17.8	0	0	0	110.5	Q415 E416 A418 N451 N452	Q415-N449 VanDerWaalsContact OE1-CB 3.29Å; Q415-N449 VanDerWaalsContact OE1-CG 3.27Å; E416-N449 PolarHBondContact O-ND2 3.22Å; A418-N449 HydrophobicContact CB-CB 3.92Å; A418-N449 WeakPolarHBondContact CB-ND2 3.43Å; N449-N451 VanDerWaalsContact C-N 3.34Å; N449-N451 PolarHBondContact OD1-N 3.5Å; N449-N452 WeakPolarHBondContact O-CB 3.45Å
450	A	86.5	Confident	80.4	Confident	14 Å²	14	51 Å²	51	12%	0.116	25%	0.25	C	C	.	.	S	Bend	trans	-76.1	-20.6	-174.8	0	0	0	0	0	113.5	V412 Q415 N452	V412-A450 HydrophobicContact CB-CB 4.34Å; V412-A450 HydrophobicContact CG1-CB 3.93Å; V412-A450 WeakPolarHBondContact CG1-O 3.49Å; V412-A450 HydrophobicContact CG2-CB 3.82Å; Q415-A450 VanDerWaalsContact OE1-N 3.15Å; A450-N452 PolarHBondContact O-N 2.82Å
451	N	89.9	Confident	80.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.			trans	-82.7	61.3	179.7	-162.4	7.2	0	0	0	110.1	V412 Q415 Y430 F431 N449 F453	V412-N451 HydrophobicContact CG1-CB 4.41Å; Q415-N451 HydrophobicContact CB-CB 4.09Å; Q415-N451 PolarHBondContact O-ND2 2.94Å; Y430-N451 VanDerWaalsContact CB-O 3.24Å; Y430-N451 WeakPolarHBondContact CB-O 3.41Å; F431-N451 PolarHBondContact N-OD1 3.39Å; F431-N451 PolarHBondContact O-ND2 2.92Å; N449-N451 VanDerWaalsContact C-N 3.34Å; N449-N451 PolarHBondContact OD1-N 3.5Å; N451-F453 WeakPolarHBondContact OD1-CE2 3.02Å
452	N	88.4	Confident	79.8	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.027	25%	0.254	C	S	.	.			trans	-148.9	84.5	-169.1	-174.9	-37.4	0	0	0	110.2	R428 F441 F443 N449 A450	R428-N452 WeakPolarHBondContact CG-OD1 3.31Å; R428-N452 PolarHBondContact NH1-OD1 3.25Å; F441-N452 HydrophobicContact CZ-CB 4.18Å; F443-N452 WeakPolarHBondContact CD1-ND2 3.37Å; F443-N452 WeakPolarHBondContact CD2-ND2 3.38Å; F443-N452 WeakPolarHBondContact CG-ND2 3.29Å; N449-N452 WeakPolarHBondContact O-CB 3.45Å; A450-N452 PolarHBondContact O-N 2.82Å
453	F	87.7	Confident	79.8	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-98.4	153.9	-177.1	-55.1	-80.1	0	0	0	111.1	A371 V412 R428 W429 N451 Q458 C459 F462	A371-F453 HydrophobicContact CB-CE1 3.85Å; A371-F453 HydrophobicContact CB-CZ 4.18Å; V412-F453 HydrophobicContact CG1-CZ 4.18Å; R428-F453 VanDerWaalsContact CD-O 3.23Å; R428-F453 WeakPolarHBondContact CD-O 3.02Å; W429-F453 HydrophobicContact CB-CB 4.32Å; W429-F453 PolarHBondContact N-O 3.06Å; W429-F453 WeakPolarHBondContact O-CD2 3.27Å; W429-F453 PolarHBondContact O-N 2.67Å; N451-F453 WeakPolarHBondContact OD1-CE2 3.02Å; F453-Q458 HydrophobicContact CB-CB 4.36Å; F453-Q458 HydrophobicContact CB-CG 4.46Å; F453-Q458 HydrophobicContact CD1-CG 3.91Å; F453-C459 HydrophobicContact CB-CB 3.78Å; F453-C459 HydrophobicContact CD2-CB 3.48Å; F453-C459 VanDerWaalsContact CD2-CB 3.48Å; F453-C459 VanDerWaalsContact CD2-SG 3.51Å; F453-C459 HydrophobicContact CE2-CB 4.19Å; F453-C459 HydrophobicContact CG-CB 3.68Å; F453-F462 HydrophobicContact CE1-CB 3.61Å; F453-F462 AromaticContact CE1-CD1 3.99Å; F453-F462 HydrophobicContact CE1-CD1 3.99Å; F453-F462 AromaticContact CE1-CG 3.84Å; F453-F462 HydrophobicContact CE1-CG 3.84Å; F453-F462 HydrophobicContact CZ-CB 3.88Å; F453-F462 AromaticContact CZ-CD1 3.72Å; F453-F462 HydrophobicContact CZ-CD1 3.72Å; F453-F462 HydrophobicContact CZ-CG 4.01Å
454	E	79.1	Confident	79.9	Confident	117 Å²	117	43.9 Å²	43.9	55%	0.547	25%	0.248	S	C	.	.	S	Bend	trans	-83.9	-28.6	-178.6	-167.1	160.6	-158	0	0	112.3
455	S	80	Confident	79.8	Confident	39 Å²	39	49.4 Å²	49.4	27%	0.273	28%	0.281	S	S	.	.	S	Bend	trans	-135.9	162.8	176.6	92.6	0	0	0	0	113.3	W429 E457 Q458 C459	W429-S455 VanDerWaalsContact CD1-CA 3.5Å; S455-E457 VanDerWaalsContact C-N 3.29Å; S455-E457 WeakPolarHBondContact CB-OE2 3.4Å; S455-E457 PolarHBondContact O-N 3.04Å; S455-E457 PolarHBondContact OG-N 3.2Å; S455-E457 PolarHBondContact OG-OE2 3.47Å; S455-Q458 PolarHBondContact O-N 2.04Å; S455-Q458 PolarHBondContact OG-N 3.04Å; S455-Q458 VanDerWaalsContact OG-N 3.16Å; S455-C459 WeakPolarHBondContact O-CB 3.34Å; S455-C459 PolarHBondContact O-N 2.04Å
456	Y	82	Confident	79.7	Confident	93 Å²	93	48.8 Å²	48.8	37%	0.365	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-39.9	174.7	176.8	-98	0	0	0	111.4	W429 C438 C459 M460	W429-Y456 HydrophobicContact CD2-CD2 4.44Å; W429-Y456 AromaticContact CE3-CD2 3.76Å; W429-Y456 HydrophobicContact CE3-CD2 3.76Å; W429-Y456 HydrophobicContact CE3-CG 4.44Å; W429-Y456 HydrophobicContact CH2-CD2 4.17Å; W429-Y456 AromaticContact CZ3-CD2 3.61Å; W429-Y456 HydrophobicContact CZ3-CD2 3.61Å; W429-Y456 HydrophobicContact CZ3-CE2 4.46Å; W429-Y456 HydrophobicContact CZ3-CG 4.37Å; C438-Y456 HydrophobicContact CB-CD2 3.65Å; C438-Y456 HydrophobicContact CB-CE2 3.78Å; Y456-C459 PolarHBondContact O-N 3.19Å; Y456-M460 HydrophobicContact CD1-CG 4.1Å; Y456-M460 HydrophobicContact CD2-CG 4.24Å; Y456-M460 HydrophobicContact CE1-CG 3.66Å; Y456-M460 HydrophobicContact CE2-CG 3.84Å; Y456-M460 HydrophobicContact CE2-SD 4.28Å; Y456-M460 HydrophobicContact CG-CG 4.37Å; Y456-M460 WeakPolarHBondContact O-CB 3.27Å; Y456-M460 WeakPolarHBondContact O-CG 3.36Å; Y456-M460 PolarHBondContact O-N 3.31Å
457	E	80.7	Confident	79.4	Confident	124 Å²	124	49.2 Å²	49.2	58%	0.579	28%	0.276	S	S	*	.	H	α-helix	trans	-67.7	-40.8	-179.9	-52.7	68.2	-143.8	0	0	111.2	S455 C459 M460 S461	S455-E457 VanDerWaalsContact C-N 3.29Å; S455-E457 WeakPolarHBondContact CB-OE2 3.4Å; S455-E457 PolarHBondContact O-N 3.04Å; S455-E457 PolarHBondContact OG-N 3.2Å; S455-E457 PolarHBondContact OG-OE2 3.47Å; E457-C459 VanDerWaalsContact C-N 3.34Å; E457-M460 PolarHBondContact O-N 3.18Å; E457-S461 WeakPolarHBondContact O-CB 3.49Å; E457-S461 PolarHBondContact O-N 2.89Å
458	Q	82.9	Confident	79.2	Confident	57 Å²	57	43 Å²	43	27%	0.266	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-45	174.2	-168.7	-167	19.6	0	0	110.5	I370 F453 S455 F462	I370-Q458 HydrophobicContact CG2-CG 4.47Å; F453-Q458 HydrophobicContact CB-CB 4.36Å; F453-Q458 HydrophobicContact CB-CG 4.46Å; F453-Q458 HydrophobicContact CD1-CG 3.91Å; S455-Q458 PolarHBondContact O-N 2.04Å; S455-Q458 PolarHBondContact OG-N 3.04Å; S455-Q458 VanDerWaalsContact OG-N 3.16Å; Q458-F462 WeakPolarHBondContact O-CB 3.41Å; Q458-F462 PolarHBondContact O-N 3.03Å
459	C	88.3	Confident	78.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-47.9	177.4	-178.4	0	0	0	0	112.1	W429 Y430 F431 C438 F453 S455 Y456 E457 F462 C463	W429-C459 HydrophobicContact CB-CB 3.97Å; Y430-C459 VanDerWaalsContact C-SG 3.57Å; F431-C459 PolarHBondContact N-SG 2.7Å; C438-C459 HydrophobicContact CB-CB 3.7Å; C438-C459 WeakPolarHBondContact CB-SG 3.47Å; C438-C459 WeakPolarHBondContact SG-CB 3.48Å; C438-C459 CovalentContact SG-SG 2.02Å; C438-C459 PolarHBondContact SG-SG 2.79Å; F453-C459 HydrophobicContact CB-CB 3.78Å; F453-C459 HydrophobicContact CD2-CB 3.48Å; F453-C459 VanDerWaalsContact CD2-CB 3.48Å; F453-C459 VanDerWaalsContact CD2-SG 3.51Å; F453-C459 HydrophobicContact CE2-CB 4.19Å; F453-C459 HydrophobicContact CG-CB 3.68Å; S455-C459 WeakPolarHBondContact O-CB 3.34Å; S455-C459 PolarHBondContact O-N 2.04Å; Y456-C459 PolarHBondContact O-N 3.19Å; E457-C459 VanDerWaalsContact C-N 3.34Å; C459-F462 PolarHBondContact O-N 3.49Å; C459-C463 WeakPolarHBondContact O-CA 3.42Å; C459-C463 VanDerWaalsContact O-CB 3.28Å; C459-C463 WeakPolarHBondContact O-CB 3.39Å; C459-C463 PolarHBondContact O-N 3.03Å
460	M	84.7	Confident	78.3	Confident	61 Å²	61	41.6 Å²	41.6	30%	0.3	23%	0.232	S	C	.	.	H	α-helix	trans	-72	-32.3	179.9	-70.3	-61.3	-68.1	0	0	112.8	C438 Y456 E457 G464	C438-M460 HydrophobicContact CB-CG 4.05Å; C438-M460 HydrophobicContact CB-SD 3.89Å; C438-M460 PolarHBondContact SG-N 2.76Å; C438-M460 VanDerWaalsContact SG-N 3.43Å; Y456-M460 HydrophobicContact CD1-CG 4.1Å; Y456-M460 HydrophobicContact CD2-CG 4.24Å; Y456-M460 HydrophobicContact CE1-CG 3.66Å; Y456-M460 HydrophobicContact CE2-CG 3.84Å; Y456-M460 HydrophobicContact CE2-SD 4.28Å; Y456-M460 HydrophobicContact CG-CG 4.37Å; Y456-M460 WeakPolarHBondContact O-CB 3.27Å; Y456-M460 WeakPolarHBondContact O-CG 3.36Å; Y456-M460 PolarHBondContact O-N 3.31Å; E457-M460 PolarHBondContact O-N 3.18Å; M460-G464 VanDerWaalsContact O-CA 3.24Å; M460-G464 WeakPolarHBondContact O-CA 3.41Å; M460-G464 PolarHBondContact O-N 2.81Å
461	S	82.9	Confident	77.3	Confident	87 Å²	87	45.5 Å²	45.5	61%	0.608	25%	0.246	S	C	*	.	H	α-helix	trans	-67.9	-35.2	174	-178.4	0	0	0	0	112.4	E457	E457-S461 WeakPolarHBondContact O-CB 3.49Å; E457-S461 PolarHBondContact O-N 2.89Å
462	F	85.2	Confident	76.1	Confident	17 Å²	17	46.7 Å²	46.7	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-81.8	-45.4	175.6	-162.5	-91.3	0	0	0	112.4	I370 A371 R409 V412 F453 Q458 C459	I370-F462 HydrophobicContact CB-CD2 3.84Å; I370-F462 HydrophobicContact CB-CE2 3.98Å; I370-F462 HydrophobicContact CG2-CD2 3.69Å; I370-F462 HydrophobicContact CG2-CE2 4.34Å; I370-F462 HydrophobicContact CG2-CG 4.48Å; A371-F462 HydrophobicContact CB-CD1 4.18Å; A371-F462 HydrophobicContact CB-CD2 4.43Å; A371-F462 HydrophobicContact CB-CE1 3.85Å; A371-F462 HydrophobicContact CB-CE2 4.13Å; A371-F462 HydrophobicContact CB-CG 4.45Å; A371-F462 HydrophobicContact CB-CZ 3.83Å; R409-F462 HydrophobicContact CB-CE1 4.41Å; R409-F462 WeakPolarHBondContact CD-O 3.46Å; R409-F462 HydrophobicContact CG-CD1 4.27Å; R409-F462 HydrophobicContact CG-CE1 3.96Å; R409-F462 HydrophobicContact CG-CZ 4.1Å; R409-F462 WeakPolarHBondContact CG-O 3.21Å; R409-F462 PolarHBondContact NE-O 3.14Å; V412-F462 HydrophobicContact CB-CE1 3.81Å; V412-F462 HydrophobicContact CG1-CD1 4.35Å; V412-F462 HydrophobicContact CG1-CE1 3.95Å; V412-F462 HydrophobicContact CG2-CE1 3.96Å; V412-F462 HydrophobicContact CG2-CZ 4.34Å; F453-F462 HydrophobicContact CE1-CB 3.61Å; F453-F462 AromaticContact CE1-CD1 3.99Å; F453-F462 HydrophobicContact CE1-CD1 3.99Å; F453-F462 AromaticContact CE1-CG 3.84Å; F453-F462 HydrophobicContact CE1-CG 3.84Å; F453-F462 HydrophobicContact CZ-CB 3.88Å; F453-F462 AromaticContact CZ-CD1 3.72Å; F453-F462 HydrophobicContact CZ-CD1 3.72Å; F453-F462 HydrophobicContact CZ-CG 4.01Å; Q458-F462 WeakPolarHBondContact O-CB 3.41Å; Q458-F462 PolarHBondContact O-N 3.03Å; C459-F462 PolarHBondContact O-N 3.49Å
463	C	86.9	Confident	74.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-108.8	-17.6	-168.6	-68.1	0	0	0	0	116.7	C413 F431 C459 T465 S466	C413-C463 HydrophobicContact CB-CB 3.71Å; C413-C463 WeakPolarHBondContact CB-SG 3.49Å; C413-C463 WeakPolarHBondContact SG-CA 3.41Å; C413-C463 WeakPolarHBondContact SG-CB 3.27Å; C413-C463 CovalentContact SG-SG 2.03Å; C413-C463 PolarHBondContact SG-SG 3.3Å; F431-C463 HydrophobicContact CB-CB 3.5Å; F431-C463 VanDerWaalsContact CB-CB 3.5Å; F431-C463 HydrophobicContact CD1-CB 4.22Å; F431-C463 HydrophobicContact CD2-CB 3.36Å; F431-C463 HydrophobicContact CE2-CB 4.07Å; F431-C463 WeakPolarHBondContact CE2-O 3.37Å; F431-C463 HydrophobicContact CG-CB 3.42Å; F431-C463 VanDerWaalsContact CG-CB 3.42Å; C459-C463 WeakPolarHBondContact O-CA 3.42Å; C459-C463 VanDerWaalsContact O-CB 3.28Å; C459-C463 WeakPolarHBondContact O-CB 3.39Å; C459-C463 PolarHBondContact O-N 3.03Å; C463-T465 PolarHBondContact O-N 2.83Å; C463-T465 VanDerWaalsContact O-N 3.16Å; C463-S466 WeakPolarHBondContact O-CB 3.04Å; C463-S466 PolarHBondContact O-N 3.38Å
464	G	77.5	Confident	72.6	Confident	39 Å²	39	51.8 Å²	51.8	40%	0.402	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21	-174.8	0	0	0	0	0	114.6	M460	M460-G464 VanDerWaalsContact O-CA 3.24Å; M460-G464 WeakPolarHBondContact O-CA 3.41Å; M460-G464 PolarHBondContact O-N 2.81Å
465	T	69.1	Low	71.1	Confident	116 Å²	116	48 Å²	48	71%	0.712	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	8.8	170.7	55.2	0	0	0	0	113	C463	C463-T465 PolarHBondContact O-N 2.83Å; C463-T465 VanDerWaalsContact O-N 3.16Å
466	S	60.6	Low	70.3	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.07	30%	0.296	C	S	.	.	S	Bend	trans	-68.3	138.7	-178.8	-171.6	0	0	0	0	110.7	R409 G410 C463 V468	R409-S466 PolarHBondContact O-OG 3.45Å; G410-S466 PolarHBondContact N-OG 2.78Å; C463-S466 WeakPolarHBondContact O-CB 3.04Å; C463-S466 PolarHBondContact O-N 3.38Å; S466-V468 VanDerWaalsContact C-N 3.27Å; S466-V468 PolarHBondContact O-N 2.02Å
467	P	57.8	Low	69.6	Low	32 Å²	32	49.2 Å²	49.2	21%	0.208	28%	0.281	C	S	.	.			trans	-69.4	88.5	172	31	-35.1	0	0	0	109.1	N414 Y485	N414-P467 PolarHBondContact ND2-O 3.39Å; P467-Y485 HydrophobicContact CB-CD2 4.12Å; P467-Y485 WeakPolarHBondContact O-CD2 3.24Å; P467-Y485 VanDerWaalsContact O-CE2 3.23Å; P467-Y485 WeakPolarHBondContact O-CE2 3.44Å
468	V	60.5	Low	69.2	Low	9 Å²	9	46 Å²	46	6%	0.055	27%	0.266	C	S	.	.			trans	-55.7	145.4	167.3	-172.1	0	0	0	0	108.8	F431 P433 R436 S466 P470 R509	F431-V468 HydrophobicContact CE1-CG2 3.63Å; F431-V468 HydrophobicContact CZ-CG2 3.76Å; P433-V468 HydrophobicContact CB-CG1 3.68Å; R436-V468 HydrophobicContact CG-CG1 4.42Å; R436-V468 HydrophobicContact CG-CG2 4.16Å; S466-V468 VanDerWaalsContact C-N 3.27Å; S466-V468 PolarHBondContact O-N 2.02Å; V468-P470 VanDerWaalsContact O-CD 3.3Å; V468-P470 WeakPolarHBondContact O-CD 3.45Å; V468-R509 PolarHBondContact O-NH1 3.21Å; V468-R509 PolarHBondContact O-NH2 3.39Å
469	E	65.6	Low	68.3	Low	47 Å²	47	46.9 Å²	46.9	22%	0.22	27%	0.271	C	S	.	.			trans	-66.4	140.4	177.1	-171.2	153.8	159	0	0	113	N414 K471 F476 A477 Y485	N414-E469 PolarHBondContact OD1-N 3.18Å; E469-K471 PolarHBondContact O-N 2.95Å; E469-F476 WeakPolarHBondContact OE1-CA 3.4Å; E469-F476 VanDerWaalsContact OE1-CB 3.26Å; E469-F476 WeakPolarHBondContact OE1-CB 3.2Å; E469-F476 WeakPolarHBondContact OE1-CD1 3.34Å; E469-A477 HydrophobicContact CG-CB 3.83Å; E469-A477 PolarHBondContact OE1-N 3.35Å; E469-Y485 HydrophobicContact CB-CE1 4Å; E469-Y485 HydrophobicContact CB-CE2 3.89Å; E469-Y485 WeakPolarHBondContact CB-OH 3.39Å; E469-Y485 HydrophobicContact CG-CD1 4.2Å; E469-Y485 HydrophobicContact CG-CE1 3.48Å; E469-Y485 VanDerWaalsContact CG-CE1 3.48Å; E469-Y485 HydrophobicContact CG-CE2 4.31Å; E469-Y485 PolarHBondContact OE2-OH 2.82Å
470	P	67.5	Low	67	Low	6 Å²	6	50.7 Å²	50.7	4%	0.039	29%	0.288	C	S	.	.			trans	-36.4	117.3	157.7	45.5	-30.2	0	0	0	115.2	V468 C472 A477 D506	V468-P470 VanDerWaalsContact O-CD 3.3Å; V468-P470 WeakPolarHBondContact O-CD 3.45Å; P470-C472 PolarHBondContact O-N 2.89Å; P470-A477 HydrophobicContact CG-CB 4.35Å; P470-D506 HydrophobicContact CB-CB 4.15Å
471	K	66.9	Low	65.4	Low	96 Å²	96	53.9 Å²	53.9	42%	0.417	32%	0.316	S	S	.	.			trans	-71.6	86.1	165.1	-50.5	174.8	-178.9	165.8	0	109.2	K434 E469 H504 D506	K434-K471 PolarHBondContact O-NZ 3.29Å; E469-K471 PolarHBondContact O-N 2.95Å; K471-H504 PolarHBondContact O-CE1 2.9Å; K471-H504 VanDerWaalsContact O-CE1 3.23Å; K471-H504 PolarHBondContact O-ND1 2.74Å; K471-H504 VanDerWaalsContact O-ND1 3.14Å; K471-D506 HydrophobicContact CB-CB 3.86Å; K471-D506 HydrophobicContact CG-CB 4.33Å; K471-D506 PolarHBondContact N-OD2 2.94Å
472	C	63.2	Low	63.8	Low	25 Å²	25	53 Å²	53	17%	0.169	31%	0.31	C	S	.	.			trans	-81.6	143	179.6	-63.6	0	0	0	0	111.4	P470 Q474 G475 C513	P470-C472 PolarHBondContact O-N 2.89Å; C472-Q474 PolarHBondContact O-N 3.4Å; C472-G475 WeakPolarHBondContact CB-O 3.43Å; C472-C513 WeakPolarHBondContact CA-SG 3.37Å; C472-C513 HydrophobicContact CB-CB 3.61Å; C472-C513 WeakPolarHBondContact CB-SG 3.35Å; C472-C513 WeakPolarHBondContact SG-CA 3.46Å; C472-C513 WeakPolarHBondContact SG-CB 2.99Å; C472-C513 CovalentContact SG-SG 2.03Å; C472-C513 PolarHBondContact SG-SG 2.7Å
473	P	54.3	Low	62	Low	80 Å²	80	53.2 Å²	53.2	52%	0.519	32%	0.317	S	S	.	.	S	Bend	trans	-63.2	-21.4	176.2	-25.2	36	0	0	0	114.2	F502 H504	P473-F502 HydrophobicContact CG-CZ 4.39Å; P473-H504 VanDerWaalsContact CG-NE2 3.31Å; P473-H504 WeakPolarHBondContact CG-NE2 3.44Å
474	Q	48.6	Very low	60.6	Low	32 Å²	32	57.5 Å²	57.5	15%	0.15	34%	0.339	C	S	.	.	S	Bend	trans	-158.4	128.4	-178.2	62	-164.8	3.6	0	0	111	C472 P514 T515 R517	C472-Q474 PolarHBondContact O-N 3.4Å; Q474-P514 PolarHBondContact NE2-O 3.1Å; Q474-P514 VanDerWaalsContact O-CD 3.32Å; Q474-P514 WeakPolarHBondContact O-CD 3.43Å; Q474-P514 WeakPolarHBondContact O-CG 3.13Å; Q474-T515 PolarHBondContact NE2-O 3.13Å; Q474-R517 HydrophobicContact CG-CB 4.41Å; Q474-R517 PolarHBondContact OE1-O 3.07Å; Q474-R517 VanDerWaalsContact OE1-O 3.07Å
475	G	48.8	Very low	60.3	Low	39 Å²	39	56.3 Å²	56.3	40%	0.402	32%	0.323	S	S	.	.	S	Bend	trans	68.4	-176.8	178.8	0	0	0	0	0	114.9	C472	C472-G475 WeakPolarHBondContact CB-O 3.43Å
476	F	61.5	Low	60.5	Low	150 Å²	150	51.4 Å²	51.4	66%	0.658	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-84.3	147.3	-175.4	-56.3	-73.9	0	0	0	112.6	E469 P514	E469-F476 WeakPolarHBondContact OE1-CA 3.4Å; E469-F476 VanDerWaalsContact OE1-CB 3.26Å; E469-F476 WeakPolarHBondContact OE1-CB 3.2Å; E469-F476 WeakPolarHBondContact OE1-CD1 3.34Å; F476-P514 WeakPolarHBondContact O-CD 3.48Å; F476-P514 WeakPolarHBondContact O-CG 3.5Å
477	A	69.1	Low	61.1	Low	7 Å²	7	56 Å²	56	6%	0.058	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.6	153.3	174.8	0	0	0	0	0	111.8	E469 P470 M479 Y485 C512	E469-A477 HydrophobicContact CG-CB 3.83Å; E469-A477 PolarHBondContact OE1-N 3.35Å; P470-A477 HydrophobicContact CG-CB 4.35Å; A477-M479 PolarHBondContact O-N 3.2Å; A477-Y485 HydrophobicContact CB-CD1 3.68Å; A477-Y485 HydrophobicContact CB-CE1 4.05Å; A477-C512 CarbonylContact C-O 3.57Å; A477-C512 WeakPolarHBondContact CA-O 3.3Å
478	F	70.8	Confident	62	Low	57 Å²	57	54.7 Å²	54.7	25%	0.25	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69.1	120.1	177.4	-177.4	-95.2	0	0	0	110.6	E480 Y485 T486 P498 Y501 C512	F478-E480 HydrophobicContact CD1-CG 4.4Å; F478-E480 HydrophobicContact CE1-CG 3.71Å; F478-Y485 VanDerWaalsContact O-CA 3.32Å; F478-Y485 WeakPolarHBondContact O-CA 2.99Å; F478-T486 VanDerWaalsContact CD1-OG1 3.25Å; F478-T486 WeakPolarHBondContact CD1-OG1 3.32Å; F478-T486 PolarHBondContact O-N 2.91Å; F478-P498 HydrophobicContact CD1-CG 3.69Å; F478-P498 HydrophobicContact CD2-CB 4.43Å; F478-P498 HydrophobicContact CD2-CG 3.93Å; F478-P498 HydrophobicContact CE1-CG 3.57Å; F478-P498 HydrophobicContact CE2-CB 4.28Å; F478-P498 HydrophobicContact CE2-CG 3.83Å; F478-P498 HydrophobicContact CG-CG 3.86Å; F478-P498 HydrophobicContact CZ-CB 4.45Å; F478-P498 HydrophobicContact CZ-CG 3.66Å; F478-Y501 HydrophobicContact CB-CD1 3.64Å; F478-Y501 HydrophobicContact CB-CD2 4.24Å; F478-Y501 HydrophobicContact CB-CE1 3.62Å; F478-Y501 HydrophobicContact CB-CE2 4.22Å; F478-Y501 HydrophobicContact CB-CG 3.97Å; F478-Y501 HydrophobicContact CD2-CD2 4.07Å; F478-Y501 AromaticContact CD2-CE2 3.73Å; F478-Y501 HydrophobicContact CD2-CE2 3.73Å; F478-Y501 AromaticContact CD2-CZ 4Å; F478-Y501 HydrophobicContact CG-CD2 4.49Å; F478-Y501 HydrophobicContact CG-CE2 4.41Å; F478-C512 HydrophobicContact CB-CB 3.93Å; F478-C512 PolarHBondContact N-O 2.96Å
479	M	65.1	Low	62.1	Low	75 Å²	75	56.1 Å²	56.1	37%	0.369	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-107.5	129.4	172.8	-178.3	-177.5	-75.4	0	0	108.9	A477 I484 Y485	A477-M479 PolarHBondContact O-N 3.2Å; M479-I484 WeakPolarHBondContact CA-O 3.37Å; M479-Y485 HydrophobicContact CB-CD1 4.02Å; M479-Y485 HydrophobicContact CB-CE1 4.14Å; M479-Y485 HydrophobicContact CE-CD1 4.3Å; M479-Y485 HydrophobicContact CE-CD2 4.3Å; M479-Y485 HydrophobicContact CE-CE1 3.69Å; M479-Y485 HydrophobicContact CE-CE2 3.63Å; M479-Y485 WeakPolarHBondContact CE-OH 3.31Å
480	E	60.7	Low	61.8	Low	80 Å²	80	56.3 Å²	56.3	37%	0.374	34%	0.336	S	S	.	.			trans	-71.6	166.7	174.3	-74.3	170.2	-149.4	0	0	111.7	F478 S482 G483 I484 T486	F478-E480 HydrophobicContact CD1-CG 4.4Å; F478-E480 HydrophobicContact CE1-CG 3.71Å; E480-S482 VanDerWaalsContact CB-OG 3.28Å; E480-S482 WeakPolarHBondContact CB-OG 3.45Å; E480-S482 PolarHBondContact O-N 2.84Å; E480-G483 PolarHBondContact O-N 2.86Å; E480-I484 PolarHBondContact N-O 2.79Å; E480-T486 WeakPolarHBondContact CG-OG1 3.46Å; E480-T486 PolarHBondContact OE1-OG1 2.69Å
481	S	50.7	Low	61	Low	127 Å²	127	61.5 Å²	61.5	89%	0.888	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.7	173.3	48.8	0	0	0	0	113.9	G483	S481-G483 VanDerWaalsContact C-N 3.32Å
482	S	49.3	Very low	59.9	Low	68 Å²	68	62.8 Å²	62.8	48%	0.476	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10	171.3	56.4	0	0	0	0	114.3	E480 I484	E480-S482 VanDerWaalsContact CB-OG 3.28Å; E480-S482 WeakPolarHBondContact CB-OG 3.45Å; E480-S482 PolarHBondContact O-N 2.84Å; S482-I484 VanDerWaalsContact C-N 3.29Å; S482-I484 PolarHBondContact OG-N 2.84Å
483	G	46.8	Very low	59.1	Low	22 Å²	22	63.7 Å²	63.7	23%	0.227	41%	0.409	C	S	.	.	S	Bend	trans	80.4	5	-172.7	0	0	0	0	0	114.6	E480 S481	E480-G483 PolarHBondContact O-N 2.86Å; S481-G483 VanDerWaalsContact C-N 3.32Å
484	I	58.9	Low	59	Low	91 Å²	91	65.2 Å²	65.2	47%	0.467	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-93.9	137.1	178.6	-57.3	172.6	0	0	0	109.1	M479 E480 S482	M479-I484 WeakPolarHBondContact CA-O 3.37Å; E480-I484 PolarHBondContact N-O 2.79Å; S482-I484 VanDerWaalsContact C-N 3.29Å; S482-I484 PolarHBondContact OG-N 2.84Å
485	Y	70.2	Confident	59.6	Low	14 Å²	14	71.6 Å²	71.6	6%	0.055	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-77.2	128.4	170.4	-64	-80.7	0	0	0	110.2	P467 E469 A477 F478 M479 E487	P467-Y485 HydrophobicContact CB-CD2 4.12Å; P467-Y485 WeakPolarHBondContact O-CD2 3.24Å; P467-Y485 VanDerWaalsContact O-CE2 3.23Å; P467-Y485 WeakPolarHBondContact O-CE2 3.44Å; E469-Y485 HydrophobicContact CB-CE1 4Å; E469-Y485 HydrophobicContact CB-CE2 3.89Å; E469-Y485 WeakPolarHBondContact CB-OH 3.39Å; E469-Y485 HydrophobicContact CG-CD1 4.2Å; E469-Y485 HydrophobicContact CG-CE1 3.48Å; E469-Y485 VanDerWaalsContact CG-CE1 3.48Å; E469-Y485 HydrophobicContact CG-CE2 4.31Å; E469-Y485 PolarHBondContact OE2-OH 2.82Å; A477-Y485 HydrophobicContact CB-CD1 3.68Å; A477-Y485 HydrophobicContact CB-CE1 4.05Å; F478-Y485 VanDerWaalsContact O-CA 3.32Å; F478-Y485 WeakPolarHBondContact O-CA 2.99Å; M479-Y485 HydrophobicContact CB-CD1 4.02Å; M479-Y485 HydrophobicContact CB-CE1 4.14Å; M479-Y485 HydrophobicContact CE-CD1 4.3Å; M479-Y485 HydrophobicContact CE-CD2 4.3Å; M479-Y485 HydrophobicContact CE-CE1 3.69Å; M479-Y485 HydrophobicContact CE-CE2 3.63Å; M479-Y485 WeakPolarHBondContact CE-OH 3.31Å; Y485-E487 PolarHBondContact O-N 2.86Å
486	T	74.1	Confident	60.6	Low	12 Å²	12	74.8 Å²	74.8	7%	0.074	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-68.9	118.2	-178.8	-54.3	0	0	0	0	111.1	F478 E480 G511 C512	F478-T486 VanDerWaalsContact CD1-OG1 3.25Å; F478-T486 WeakPolarHBondContact CD1-OG1 3.32Å; F478-T486 PolarHBondContact O-N 2.91Å; E480-T486 WeakPolarHBondContact CG-OG1 3.46Å; E480-T486 PolarHBondContact OE1-OG1 2.69Å; T486-G511 WeakPolarHBondContact O-CA 3.38Å; T486-C512 PolarHBondContact O-N 3.26Å
487	E	73.7	Confident	61.2	Low	108 Å²	108	68.8 Å²	68.8	51%	0.505	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-82.9	154.2	168.2	-55.1	-164.7	159.1	0	0	110.6	Y485 R509	Y485-E487 PolarHBondContact O-N 2.86Å; E487-R509 WeakPolarHBondContact OE1-CD 3.06Å; E487-R509 IonicContact OE1-CZ 3.86Å; E487-R509 IonicContact OE1-NE 3.64Å; E487-R509 PolarHBondContact OE1-NE 2.8Å; E487-R509 IonicContact OE1-NH1 2.68Å
488	C	76.5	Confident	61.3	Low	3 Å²	3	70.7 Å²	70.7	2%	0.02	45%	0.45	C	S	.	.			trans	-148.2	137	-170.2	54.8	0	0	0	0	111.3	C497 C503 F510 G511	C488-C497 VanDerWaalsContact SG-SG 3.66Å; C488-C503 VanDerWaalsContact C-SG 3.52Å; C488-C503 HydrophobicContact CB-CB 3.87Å; C488-C503 WeakPolarHBondContact CB-SG 3.39Å; C488-C503 PolarHBondContact O-SG 2.85Å; C488-C503 WeakPolarHBondContact SG-CA 3.03Å; C488-C503 WeakPolarHBondContact SG-CB 3.47Å; C488-C503 CovalentContact SG-SG 2.04Å; C488-C503 PolarHBondContact SG-SG 2.84Å; C488-F510 WeakPolarHBondContact O-CB 3.42Å; C488-F510 WeakPolarHBondContact O-CG 3.23Å; C488-G511 VanDerWaalsContact SG-C 3.52Å
489	G	62.9	Low	60.7	Low	40 Å²	40	72.1 Å²	72.1	41%	0.412	47%	0.473	S	S	.	.			trans	65.7	-176.5	-177	0	0	0	0	0	114.4	A493	G489-A493 WeakPolarHBondContact O-CB 3Å
490	G	58	Low	60.3	Low	51 Å²	51	72.4 Å²	72.4	53%	0.526	48%	0.476	S	S	.	.	S	Bend	trans	92.6	163.4	-157	0	0	0	0	0	111.4	S492 A493	G490-S492 PolarHBondContact O-N 2.77Å; G490-A493 PolarHBondContact O-N 3.2Å
491	A	50.4	Low	60.7	Low	114 Å²	114	71.7 Å²	71.7	94%	0.942	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.6	-165.1	0	0	0	0	0	115.7
492	S	45.2	Very low	61.6	Low	124 Å²	124	69.1 Å²	69.1	87%	0.867	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	3.5	-172.8	-49.4	0	0	0	0	114.4	G490	G490-S492 PolarHBondContact O-N 2.77Å
493	A	46.1	Very low	63.1	Low	43 Å²	43	68.5 Å²	68.5	36%	0.355	44%	0.438	S	S	.	.			trans	-105.4	102.9	-170.8	0	0	0	0	0	112.4	G489 G490 Y495	G489-A493 WeakPolarHBondContact O-CB 3Å; G490-A493 PolarHBondContact O-N 3.2Å; A493-Y495 PolarHBondContact O-N 2.94Å
494	S	51.8	Low	64.5	Low	113 Å²	113	69.1 Å²	69.1	79%	0.79	44%	0.435	S	S	*	.			trans	-77.8	11.2	178.8	50.1	0	0	0	0	114.9
495	Y	61.3	Low	65.3	Low	166 Å²	166	69.6 Å²	69.6	65%	0.651	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-97.3	120.8	-172.4	-69.8	-84	0	0	0	112.8	A493	A493-Y495 PolarHBondContact O-N 2.94Å
496	S	69.5	Low	65.2	Low	106 Å²	106	69.7 Å²	69.7	74%	0.741	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-90.9	142.8	168.6	60.4	0	0	0	0	111
497	C	73	Confident	64.7	Low	24 Å²	24	71.8 Å²	71.8	16%	0.162	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-59.1	151.8	175.6	-64	0	0	0	0	113.7	C488 Y501 C512	C488-C497 VanDerWaalsContact SG-SG 3.66Å; C497-Y501 WeakPolarHBondContact CB-O 3.49Å; C497-C512 WeakPolarHBondContact CA-SG 3.34Å; C497-C512 HydrophobicContact CB-CB 3.75Å; C497-C512 WeakPolarHBondContact CB-SG 2.99Å; C497-C512 WeakPolarHBondContact SG-CA 3.34Å; C497-C512 WeakPolarHBondContact SG-CB 3.32Å; C497-C512 CovalentContact SG-SG 2.04Å; C497-C512 PolarHBondContact SG-SG 3.32Å
498	P	72.7	Confident	64.2	Low	46 Å²	46	71.7 Å²	71.7	30%	0.299	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-59.6	167.7	172.7	-23.8	34.5	0	0	0	113.6	F478 D500 Y501	F478-P498 HydrophobicContact CD1-CG 3.69Å; F478-P498 HydrophobicContact CD2-CB 4.43Å; F478-P498 HydrophobicContact CD2-CG 3.93Å; F478-P498 HydrophobicContact CE1-CG 3.57Å; F478-P498 HydrophobicContact CE2-CB 4.28Å; F478-P498 HydrophobicContact CE2-CG 3.83Å; F478-P498 HydrophobicContact CG-CG 3.86Å; F478-P498 HydrophobicContact CZ-CB 4.45Å; F478-P498 HydrophobicContact CZ-CG 3.66Å; P498-D500 PolarHBondContact O-N 3.15Å; P498-Y501 PolarHBondContact O-N 3.23Å
499	A	57.5	Low	63.9	Low	88 Å²	88	73 Å²	73	73%	0.727	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	140.5	173.7	0	0	0	0	0	111.9	Y501	A499-Y501 PolarHBondContact O-N 3.13Å
500	D	56.6	Low	64.7	Low	80 Å²	80	75.1 Å²	75.1	43%	0.428	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	10.1	-172.5	-64.4	-50.3	0	0	0	116.5	P498 T515 R516	P498-D500 PolarHBondContact O-N 3.15Å; D500-T515 VanDerWaalsContact C-OG1 3.27Å; D500-T515 WeakPolarHBondContact CA-OG1 3.39Å; D500-T515 WeakPolarHBondContact O-CB 3.44Å; D500-T515 WeakPolarHBondContact O-CG2 3.4Å; D500-T515 PolarHBondContact O-N 3.06Å; D500-T515 PolarHBondContact O-OG1 3.07Å; D500-R516 IonicContact OD1-CZ 3.83Å; D500-R516 IonicContact OD1-NH1 2.81Å; D500-R516 PolarHBondContact OD1-NH1 2.94Å
501	Y	68.5	Low	65.6	Low	65 Å²	65	72.7 Å²	72.7	26%	0.255	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.4	166.1	-70.8	-98.1	0	0	0	112.2	F478 C497 P498 A499 C512 C513 P514 T515	F478-Y501 HydrophobicContact CB-CD1 3.64Å; F478-Y501 HydrophobicContact CB-CD2 4.24Å; F478-Y501 HydrophobicContact CB-CE1 3.62Å; F478-Y501 HydrophobicContact CB-CE2 4.22Å; F478-Y501 HydrophobicContact CB-CG 3.97Å; F478-Y501 HydrophobicContact CD2-CD2 4.07Å; F478-Y501 AromaticContact CD2-CE2 3.73Å; F478-Y501 HydrophobicContact CD2-CE2 3.73Å; F478-Y501 AromaticContact CD2-CZ 4Å; F478-Y501 HydrophobicContact CG-CD2 4.49Å; F478-Y501 HydrophobicContact CG-CE2 4.41Å; C497-Y501 WeakPolarHBondContact CB-O 3.49Å; P498-Y501 PolarHBondContact O-N 3.23Å; A499-Y501 PolarHBondContact O-N 3.13Å; Y501-C512 WeakPolarHBondContact CD1-O 3.33Å; Y501-C513 CarbonylContact C-O 3.53Å; Y501-C513 VanDerWaalsContact CA-O 3.23Å; Y501-C513 WeakPolarHBondContact CA-O 3.44Å; Y501-P514 HydrophobicContact CD1-CG 4.26Å; Y501-P514 HydrophobicContact CE1-CB 4.42Å; Y501-P514 HydrophobicContact CE1-CG 3.72Å; Y501-T515 VanDerWaalsContact C-CG2 3.46Å
502	F	71.2	Confident	67.1	Low	73 Å²	73	67.3 Å²	67.3	32%	0.32	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	157.4	173.7	75.3	-71.8	0	0	0	110.2	P473 H504 C512 C513 T515	P473-F502 HydrophobicContact CG-CZ 4.39Å; F502-H504 HydrophobicContact CD2-CB 4.33Å; F502-H504 HydrophobicContact CE2-CB 3.73Å; F502-H504 AromaticContact CE2-CD2 3.84Å; F502-H504 HydrophobicContact CZ-CB 3.92Å; F502-H504 AromaticContact CZ-CD2 3.92Å; F502-H504 PolarHBondContact O-N 2.84Å; F502-C512 CarbonylContact O-C 3.57Å; F502-C512 WeakPolarHBondContact O-CA 3.43Å; F502-C513 HydrophobicContact CD1-CB 4.27Å; F502-C513 WeakPolarHBondContact CD1-O 2.95Å; F502-C513 HydrophobicContact CE1-CB 3.83Å; F502-C513 HydrophobicContact CZ-CB 4.26Å; F502-C513 PolarHBondContact N-O 2.69Å; F502-C513 PolarHBondContact O-N 3.43Å; F502-T515 HydrophobicContact CB-CG2 3.84Å; F502-T515 HydrophobicContact CD1-CG2 4.16Å; F502-T515 HydrophobicContact CG-CG2 4.46Å
503	C	80.8	Confident	68.4	Low	55 Å²	55	61.4 Å²	61.4	37%	0.372	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.4	174.3	-164.2	0	0	0	0	110.2	C488	C488-C503 VanDerWaalsContact C-SG 3.52Å; C488-C503 HydrophobicContact CB-CB 3.87Å; C488-C503 WeakPolarHBondContact CB-SG 3.39Å; C488-C503 PolarHBondContact O-SG 2.85Å; C488-C503 WeakPolarHBondContact SG-CA 3.03Å; C488-C503 WeakPolarHBondContact SG-CB 3.47Å; C488-C503 CovalentContact SG-SG 2.04Å; C488-C503 PolarHBondContact SG-SG 2.84Å
504	H	76	Confident	69.2	Low	35 Å²	35	59.6 Å²	59.6	16%	0.162	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.8	179.1	-178.5	-99.2	0	0	0	110.2	K471 P473 F502 F510 G511 C513	K471-H504 PolarHBondContact O-CE1 2.9Å; K471-H504 VanDerWaalsContact O-CE1 3.23Å; K471-H504 PolarHBondContact O-ND1 2.74Å; K471-H504 VanDerWaalsContact O-ND1 3.14Å; P473-H504 VanDerWaalsContact CG-NE2 3.31Å; P473-H504 WeakPolarHBondContact CG-NE2 3.44Å; F502-H504 HydrophobicContact CD2-CB 4.33Å; F502-H504 HydrophobicContact CE2-CB 3.73Å; F502-H504 AromaticContact CE2-CD2 3.84Å; F502-H504 HydrophobicContact CZ-CB 3.92Å; F502-H504 AromaticContact CZ-CD2 3.92Å; F502-H504 PolarHBondContact O-N 2.84Å; H504-F510 CarbonylContact O-C 3.46Å; H504-F510 VanDerWaalsContact O-CA 3.31Å; H504-F510 WeakPolarHBondContact O-CA 3.49Å; H504-G511 PolarHBondContact N-O 2.97Å; H504-G511 PolarHBondContact O-N 2.81Å; H504-C513 HydrophobicContact CB-CB 3.8Å
505	F	75.8	Confident	69.4	Low	102 Å²	102	55.8 Å²	55.8	45%	0.447	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.3	172.7	-172.6	-109.3	0	0	0	109.9	G507 R509 F510	F505-G507 PolarHBondContact O-N 3.01Å; F505-R509 VanDerWaalsContact CD2-C 3.46Å; F505-F510 HydrophobicContact CB-CD1 3.82Å; F505-F510 HydrophobicContact CB-CE1 3.71Å; F505-F510 HydrophobicContact CB-CG 4.46Å; F505-F510 HydrophobicContact CB-CZ 4.24Å; F505-F510 HydrophobicContact CD2-CD1 4.01Å; F505-F510 AromaticContact CD2-CD2 3.68Å; F505-F510 HydrophobicContact CD2-CD2 3.68Å; F505-F510 HydrophobicContact CD2-CE1 4.01Å; F505-F510 AromaticContact CD2-CE2 3.66Å; F505-F510 HydrophobicContact CD2-CE2 3.66Å; F505-F510 AromaticContact CD2-CG 3.85Å; F505-F510 HydrophobicContact CD2-CG 3.85Å; F505-F510 AromaticContact CD2-CZ 3.83Å; F505-F510 HydrophobicContact CD2-CZ 3.83Å; F505-F510 HydrophobicContact CE2-CD2 4.21Å; F505-F510 HydrophobicContact CE2-CE2 4.11Å; F505-F510 HydrophobicContact CG-CD1 4.4Å; F505-F510 HydrophobicContact CG-CE1 4.22Å; F505-F510 HydrophobicContact CG-CZ 4.27Å
506	D	66.8	Low	69.2	Low	16 Å²	16	53.5 Å²	53.5	9%	0.086	30%	0.297	C	S	.	.			trans	-85.3	13.6	-170.9	89.9	-24.6	0	0	0	114.5	R436 P470 K471 Q508 R509	R436-D506 IonicContact CZ-OD1 2.73Å; R436-D506 IonicContact CZ-OD2 2.72Å; R436-D506 IonicContact NH2-OD1 2.69Å; R436-D506 PolarHBondContact NH2-OD1 3.43Å; R436-D506 IonicContact NH2-OD2 2.77Å; R436-D506 PolarHBondContact NH2-OD2 3.44Å; P470-D506 HydrophobicContact CB-CB 4.15Å; K471-D506 HydrophobicContact CB-CB 3.86Å; K471-D506 HydrophobicContact CG-CB 4.33Å; K471-D506 PolarHBondContact N-OD2 2.94Å; D506-Q508 VanDerWaalsContact C-N 3.33Å; D506-Q508 PolarHBondContact OD1-N 2.82Å; D506-R509 PolarHBondContact N-O 2.62Å; D506-R509 PolarHBondContact OD1-N 2.85Å
507	G	64.8	Low	68.5	Low	56 Å²	56	52.4 Å²	52.4	58%	0.577	28%	0.277	S	S	*	.	S	Bend	trans	90.3	-16.1	-170.7	0	0	0	0	0	114	F505	F505-G507 PolarHBondContact O-N 3.01Å
508	Q	63.2	Low	67.8	Low	105 Å²	105	51.4 Å²	51.4	49%	0.491	27%	0.27	S	S	.	.	S	Bend	trans	-134.7	-28.9	176.6	-71.3	-177.7	-14	0	0	114.2	R436 D506	R436-Q508 VanDerWaalsContact CZ-OE1 3.25Å; R436-Q508 VanDerWaalsContact NH1-CB 3.32Å; D506-Q508 VanDerWaalsContact C-N 3.33Å; D506-Q508 PolarHBondContact OD1-N 2.82Å
509	R	70.2	Confident	66.8	Low	31 Å²	31	52.2 Å²	52.2	12%	0.117	28%	0.275	C	S	.	.			trans	-149.6	162.8	174.8	87.3	-164.3	-149.5	-98.4	-158.9	112.4	V468 E487 F505 D506	V468-R509 PolarHBondContact O-NH1 3.21Å; V468-R509 PolarHBondContact O-NH2 3.39Å; E487-R509 WeakPolarHBondContact OE1-CD 3.06Å; E487-R509 IonicContact OE1-CZ 3.86Å; E487-R509 IonicContact OE1-NE 3.64Å; E487-R509 PolarHBondContact OE1-NE 2.8Å; E487-R509 IonicContact OE1-NH1 2.68Å; F505-R509 VanDerWaalsContact CD2-C 3.46Å; D506-R509 PolarHBondContact N-O 2.62Å; D506-R509 PolarHBondContact OD1-N 2.85Å
510	F	79	Confident	66.5	Low	85 Å²	85	50.7 Å²	50.7	37%	0.373	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.5	173.1	-68.2	-87.2	0	0	0	111.6	C488 H504 F505	C488-F510 WeakPolarHBondContact O-CB 3.42Å; C488-F510 WeakPolarHBondContact O-CG 3.23Å; H504-F510 CarbonylContact O-C 3.46Å; H504-F510 VanDerWaalsContact O-CA 3.31Å; H504-F510 WeakPolarHBondContact O-CA 3.49Å; F505-F510 HydrophobicContact CB-CD1 3.82Å; F505-F510 HydrophobicContact CB-CE1 3.71Å; F505-F510 HydrophobicContact CB-CG 4.46Å; F505-F510 HydrophobicContact CB-CZ 4.24Å; F505-F510 HydrophobicContact CD2-CD1 4.01Å; F505-F510 AromaticContact CD2-CD2 3.68Å; F505-F510 HydrophobicContact CD2-CD2 3.68Å; F505-F510 HydrophobicContact CD2-CE1 4.01Å; F505-F510 AromaticContact CD2-CE2 3.66Å; F505-F510 HydrophobicContact CD2-CE2 3.66Å; F505-F510 AromaticContact CD2-CG 3.85Å; F505-F510 HydrophobicContact CD2-CG 3.85Å; F505-F510 AromaticContact CD2-CZ 3.83Å; F505-F510 HydrophobicContact CD2-CZ 3.83Å; F505-F510 HydrophobicContact CE2-CD2 4.21Å; F505-F510 HydrophobicContact CE2-CE2 4.11Å; F505-F510 HydrophobicContact CG-CD1 4.4Å; F505-F510 HydrophobicContact CG-CE1 4.22Å; F505-F510 HydrophobicContact CG-CZ 4.27Å
511	G	76.4	Confident	66.1	Low	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	160.3	171.1	0	0	0	0	0	113.1	T486 C488 H504 C513	T486-G511 WeakPolarHBondContact O-CA 3.38Å; C488-G511 VanDerWaalsContact SG-C 3.52Å; H504-G511 PolarHBondContact N-O 2.97Å; H504-G511 PolarHBondContact O-N 2.81Å; G511-C513 PolarHBondContact O-N 3.07Å
512	C	82.4	Confident	65.1	Low	1 Å²	1	45.6 Å²	45.6	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.9	-177.5	-67.4	0	0	0	0	111.8	A477 F478 T486 C497 Y501 F502	A477-C512 CarbonylContact C-O 3.57Å; A477-C512 WeakPolarHBondContact CA-O 3.3Å; F478-C512 HydrophobicContact CB-CB 3.93Å; F478-C512 PolarHBondContact N-O 2.96Å; T486-C512 PolarHBondContact O-N 3.26Å; C497-C512 WeakPolarHBondContact CA-SG 3.34Å; C497-C512 HydrophobicContact CB-CB 3.75Å; C497-C512 WeakPolarHBondContact CB-SG 2.99Å; C497-C512 WeakPolarHBondContact SG-CA 3.34Å; C497-C512 WeakPolarHBondContact SG-CB 3.32Å; C497-C512 CovalentContact SG-SG 2.04Å; C497-C512 PolarHBondContact SG-SG 3.32Å; Y501-C512 WeakPolarHBondContact CD1-O 3.33Å; F502-C512 CarbonylContact O-C 3.57Å; F502-C512 WeakPolarHBondContact O-CA 3.43Å
513	C	73	Confident	64.4	Low	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.5	-176.1	-73.4	0	0	0	0	113.1	C472 Y501 F502 H504 G511 T515	C472-C513 WeakPolarHBondContact CA-SG 3.37Å; C472-C513 HydrophobicContact CB-CB 3.61Å; C472-C513 WeakPolarHBondContact CB-SG 3.35Å; C472-C513 WeakPolarHBondContact SG-CA 3.46Å; C472-C513 WeakPolarHBondContact SG-CB 2.99Å; C472-C513 CovalentContact SG-SG 2.03Å; C472-C513 PolarHBondContact SG-SG 2.7Å; Y501-C513 CarbonylContact C-O 3.53Å; Y501-C513 VanDerWaalsContact CA-O 3.23Å; Y501-C513 WeakPolarHBondContact CA-O 3.44Å; F502-C513 HydrophobicContact CD1-CB 4.27Å; F502-C513 WeakPolarHBondContact CD1-O 2.95Å; F502-C513 HydrophobicContact CE1-CB 3.83Å; F502-C513 HydrophobicContact CZ-CB 4.26Å; F502-C513 PolarHBondContact N-O 2.69Å; F502-C513 PolarHBondContact O-N 3.43Å; H504-C513 HydrophobicContact CB-CB 3.8Å; G511-C513 PolarHBondContact O-N 3.07Å; C513-T515 PolarHBondContact O-N 3.39Å
514	P	62.8	Low	63.6	Low	4 Å²	4	42 Å²	42	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	121.5	-176.3	-25.2	34.6	0	0	0	114.3	Q474 F476 Y501 R516	Q474-P514 PolarHBondContact NE2-O 3.1Å; Q474-P514 VanDerWaalsContact O-CD 3.32Å; Q474-P514 WeakPolarHBondContact O-CD 3.43Å; Q474-P514 WeakPolarHBondContact O-CG 3.13Å; F476-P514 WeakPolarHBondContact O-CD 3.48Å; F476-P514 WeakPolarHBondContact O-CG 3.5Å; Y501-P514 HydrophobicContact CD1-CG 4.26Å; Y501-P514 HydrophobicContact CE1-CB 4.42Å; Y501-P514 HydrophobicContact CE1-CG 3.72Å; P514-R516 PolarHBondContact O-N 2.81Å
515	T	56.3	Low	63.4	Low	34 Å²	34	42.8 Å²	42.8	21%	0.209	22%	0.22	C	C	.	.	S	Bend	trans	-62.7	-35.7	-176.5	51.8	0	0	0	0	115.2	Q474 D500 Y501 F502 C513	Q474-T515 PolarHBondContact NE2-O 3.13Å; D500-T515 VanDerWaalsContact C-OG1 3.27Å; D500-T515 WeakPolarHBondContact CA-OG1 3.39Å; D500-T515 WeakPolarHBondContact O-CB 3.44Å; D500-T515 WeakPolarHBondContact O-CG2 3.4Å; D500-T515 PolarHBondContact O-N 3.06Å; D500-T515 PolarHBondContact O-OG1 3.07Å; Y501-T515 VanDerWaalsContact C-CG2 3.46Å; F502-T515 HydrophobicContact CB-CG2 3.84Å; F502-T515 HydrophobicContact CD1-CG2 4.16Å; F502-T515 HydrophobicContact CG-CG2 4.46Å; C513-T515 PolarHBondContact O-N 3.39Å
516	R	56.4	Low	63	Low	117 Å²	117	42.1 Å²	42.1	44%	0.442	22%	0.217	S	C	.	.	S	Bend	trans	-147	73.4	-153.2	-72.9	156.2	-176.1	177	-5.5	112.5	D500 P514	D500-R516 IonicContact OD1-CZ 3.83Å; D500-R516 IonicContact OD1-NH1 2.81Å; D500-R516 PolarHBondContact OD1-NH1 2.94Å; P514-R516 PolarHBondContact O-N 2.81Å
517	R	56	Low	62.8	Low	84 Å²	84	44.7 Å²	44.7	32%	0.317	23%	0.229	S	C	.	.			trans	-131.5	159.3	176.3	-69.8	-166.8	160.3	166.2	4.7	113.2	Q474 G522 E523	Q474-R517 HydrophobicContact CG-CB 4.41Å; Q474-R517 PolarHBondContact OE1-O 3.07Å; Q474-R517 VanDerWaalsContact OE1-O 3.07Å; R517-G522 CarbonylContact C-O 3.6Å; R517-G522 VanDerWaalsContact CA-O 3.29Å; R517-G522 WeakPolarHBondContact CA-O 3.07Å; R517-G522 VanDerWaalsContact CB-O 3.3Å; R517-G522 WeakPolarHBondContact CB-O 3.44Å; R517-G522 WeakPolarHBondContact CG-O 3.33Å; R517-E523 IonicContact CZ-OE1 3.75Å; R517-E523 VanDerWaalsContact CZ-OE1 3.26Å; R517-E523 IonicContact NE-OE1 3.89Å; R517-E523 PolarHBondContact NE-OE1 3.05Å; R517-E523 IonicContact NH2-OE1 3.93Å; R517-E523 PolarHBondContact NH2-OE1 3.33Å
518	C	57.5	Low	61.8	Low	3 Å²	3	48.4 Å²	48.4	2%	0.02	23%	0.233	C	C	.	.			trans	-62.6	151	172.7	-58.6	0	0	0	0	110.2	E520 G521 G522 E523 C565	C518-E520 PolarHBondContact O-N 3.36Å; C518-E520 VanDerWaalsContact O-N 3.12Å; C518-G521 WeakPolarHBondContact O-CA 3.35Å; C518-G521 PolarHBondContact O-N 2.79Å; C518-G522 PolarHBondContact N-O 2.73Å; C518-G522 PolarHBondContact SG-O 2.85Å; C518-E523 PolarHBondContact SG-O 3.28Å; C518-C565 WeakPolarHBondContact CA-SG 3.09Å; C518-C565 HydrophobicContact CB-CB 3.54Å; C518-C565 WeakPolarHBondContact CB-SG 3.5Å; C518-C565 WeakPolarHBondContact SG-CA 3.2Å; C518-C565 WeakPolarHBondContact SG-CB 3.26Å; C518-C565 CovalentContact SG-SG 2.02Å; C518-C565 PolarHBondContact SG-SG 2.77Å
519	P	51.8	Low	60.7	Low	62 Å²	62	47.4 Å²	47.4	40%	0.403	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-31.5	179.1	-27.9	35.5	0	0	0	114.4	T550	P519-T550 WeakPolarHBondContact CD-OG1 3.35Å; P519-T550 HydrophobicContact CG-CG2 4.26Å
520	E	51.5	Low	59.8	Low	57 Å²	57	49.8 Å²	49.8	27%	0.266	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	8.2	175.6	-59	-166.7	159.6	0	0	113.8	C518 R568 Y623	C518-E520 PolarHBondContact O-N 3.36Å; C518-E520 VanDerWaalsContact O-N 3.12Å; E520-R568 IonicContact OE1-CZ 3.87Å; E520-R568 VanDerWaalsContact OE1-CZ 3.25Å; E520-R568 IonicContact OE1-NE 2.66Å; E520-R568 PolarHBondContact OE1-NE 2.87Å; E520-R568 IonicContact OE1-NH2 3.35Å; E520-R568 PolarHBondContact OE1-NH2 2.92Å; E520-R568 WeakPolarHBondContact OE2-CG 3.39Å; E520-R568 IonicContact OE2-NE 2.78Å; E520-R568 PolarHBondContact OE2-NE 3.29Å; E520-Y623 HydrophobicContact CB-CE2 4.07Å; E520-Y623 WeakPolarHBondContact OE2-CE2 3.28Å; E520-Y623 PolarHBondContact OE2-OH 2.72Å
521	G	47.7	Very low	58.5	Low	24 Å²	24	48 Å²	48	25%	0.247	27%	0.274	C	S	.	.	S	Bend	trans	108	148.5	171.6	0	0	0	0	0	116.9	C518 R611	C518-G521 WeakPolarHBondContact O-CA 3.35Å; C518-G521 PolarHBondContact O-N 2.79Å; G521-R611 PolarHBondContact O-NH1 3.42Å
522	G	48.5	Very low	57.3	Low	14 Å²	14	54 Å²	54	14%	0.144	30%	0.302	C	S	.	.	S	Bend	trans	77.9	178.5	175.8	0	0	0	0	0	115.3	R517 C518	R517-G522 CarbonylContact C-O 3.6Å; R517-G522 VanDerWaalsContact CA-O 3.29Å; R517-G522 WeakPolarHBondContact CA-O 3.07Å; R517-G522 VanDerWaalsContact CB-O 3.3Å; R517-G522 WeakPolarHBondContact CB-O 3.44Å; R517-G522 WeakPolarHBondContact CG-O 3.33Å; C518-G522 PolarHBondContact N-O 2.73Å; C518-G522 PolarHBondContact SG-O 2.85Å
523	E	55.2	Low	56.4	Low	45 Å²	45	56.1 Å²	56.1	21%	0.21	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-62.5	145.7	-174.7	-51.7	-65.5	107.1	0	0	113.5	R517 C518 K526 Y533 R611	R517-E523 IonicContact CZ-OE1 3.75Å; R517-E523 VanDerWaalsContact CZ-OE1 3.26Å; R517-E523 IonicContact NE-OE1 3.89Å; R517-E523 PolarHBondContact NE-OE1 3.05Å; R517-E523 IonicContact NH2-OE1 3.93Å; R517-E523 PolarHBondContact NH2-OE1 3.33Å; C518-E523 PolarHBondContact SG-O 3.28Å; E523-K526 IonicContact OE2-NZ 3.21Å; E523-K526 PolarHBondContact OE2-NZ 3.3Å; E523-Y533 HydrophobicContact CB-CE1 4.34Å; E523-Y533 PolarHBondContact OE2-OH 2.83Å; E523-R611 VanDerWaalsContact O-CZ 3.24Å; E523-R611 PolarHBondContact O-NH1 3.36Å; E523-R611 PolarHBondContact O-NH2 2.98Å
524	P	65.3	Low	56.4	Low	6 Å²	6	59.2 Å²	59.2	4%	0.039	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-65	162.8	158.1	-16.3	27.4	0	0	0	112.6	K526 Y533 Y563 C564	P524-K526 PolarHBondContact O-N 3.4Å; P524-Y533 HydrophobicContact CB-CD1 3.81Å; P524-Y533 HydrophobicContact CB-CG 4.43Å; P524-Y533 HydrophobicContact CG-CD1 3.86Å; P524-Y533 HydrophobicContact CG-CE1 4.39Å; P524-Y533 HydrophobicContact CG-CG 4.45Å; P524-Y563 HydrophobicContact CB-CG 4.25Å; P524-Y563 HydrophobicContact CG-CG 4.12Å; P524-C564 CarbonylContact C-O 3.51Å; P524-C564 VanDerWaalsContact CA-O 3.28Å; P524-C564 WeakPolarHBondContact CA-O 3.35Å; P524-C564 WeakPolarHBondContact CB-O 3.37Å
525	Y	70.6	Confident	56.8	Low	53 Å²	53	62.7 Å²	62.7	21%	0.208	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-55.6	120.7	175.7	-178.7	-98.4	0	0	0	110.5	E527 Y533 R534 P544 F547 C564	Y525-E527 HydrophobicContact CD1-CG 4.22Å; Y525-E527 HydrophobicContact CE1-CB 4.41Å; Y525-E527 HydrophobicContact CE1-CG 4.01Å; Y525-Y533 CarbonylContact O-C 3.56Å; Y525-Y533 WeakPolarHBondContact O-CA 3.46Å; Y525-R534 HydrophobicContact CD1-CB 3.8Å; Y525-R534 PolarHBondContact O-N 2.03Å; Y525-P544 HydrophobicContact CD1-CG 3.85Å; Y525-P544 HydrophobicContact CD2-CG 4.03Å; Y525-P544 HydrophobicContact CE1-CG 3.72Å; Y525-P544 HydrophobicContact CE2-CB 4.35Å; Y525-P544 HydrophobicContact CE2-CG 3.93Å; Y525-P544 HydrophobicContact CG-CG 4Å; Y525-F547 HydrophobicContact CD2-CD1 4.28Å; Y525-F547 HydrophobicContact CD2-CD2 4.13Å; Y525-F547 AromaticContact CD2-CE1 3.92Å; Y525-F547 HydrophobicContact CD2-CE1 3.92Å; Y525-F547 AromaticContact CD2-CE2 3.78Å; Y525-F547 HydrophobicContact CD2-CE2 3.78Å; Y525-F547 HydrophobicContact CD2-CG 4.39Å; Y525-F547 AromaticContact CD2-CZ 3.68Å; Y525-F547 HydrophobicContact CD2-CZ 3.68Å; Y525-F547 HydrophobicContact CE2-CE2 4.37Å; Y525-F547 HydrophobicContact CG-CD1 4.41Å; Y525-F547 HydrophobicContact CG-CE1 4.33Å; Y525-C564 PolarHBondContact N-O 3.12Å
526	K	68.4	Low	57.3	Low	88 Å²	88	61.2 Å²	61.2	38%	0.383	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-91.8	126.7	171.1	-68	177.1	-176.7	171.1	0	108.6	E523 P524 M528 Q532 Y533	E523-K526 IonicContact OE2-NZ 3.21Å; E523-K526 PolarHBondContact OE2-NZ 3.3Å; P524-K526 PolarHBondContact O-N 3.4Å; K526-M528 PolarHBondContact O-N 2.92Å; K526-Q532 CarbonylContact C-O 3.48Å; K526-Q532 VanDerWaalsContact CA-O 3.3Å; K526-Q532 WeakPolarHBondContact CA-O 3.33Å; K526-Y533 HydrophobicContact CD-CE1 4.19Å; K526-Y533 VanDerWaalsContact CE-OH 3.31Å; K526-Y533 WeakPolarHBondContact CE-OH 3.48Å; K526-Y533 HydrophobicContact CG-CD1 3.9Å; K526-Y533 HydrophobicContact CG-CE1 4.06Å; K526-Y533 PolarHBondContact NZ-OH 3.37Å
527	E	61.4	Low	57.7	Low	69 Å²	69	58.3 Å²	58.3	32%	0.322	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-69.3	130.5	-179.5	-57.4	-153.3	129.3	0	0	110.9	Y525 G529 T530 G531 Q532 R534	Y525-E527 HydrophobicContact CD1-CG 4.22Å; Y525-E527 HydrophobicContact CE1-CB 4.41Å; Y525-E527 HydrophobicContact CE1-CG 4.01Å; E527-G529 PolarHBondContact O-N 2.81Å; E527-T530 PolarHBondContact O-N 3.3Å; E527-G531 PolarHBondContact O-N 3.29Å; E527-Q532 PolarHBondContact N-O 3.07Å; E527-R534 HydrophobicContact CG-CB 3.79Å; E527-R534 HydrophobicContact CG-CG 4.31Å; E527-R534 WeakPolarHBondContact OE1-CD 3.37Å; E527-R534 IonicContact OE1-CZ 3.25Å; E527-R534 IonicContact OE1-NE 2.73Å; E527-R534 IonicContact OE1-NH1 2.8Å; E527-R534 PolarHBondContact OE1-NH1 3.32Å
528	M	44	Very low	57.7	Low	135 Å²	135	55.9 Å²	55.9	67%	0.665	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	101.1	179.9	-67.4	-170.3	-68.2	0	0	110.1	K526 T964	K526-M528 PolarHBondContact O-N 2.92Å; M528-T964 HydrophobicContact CE-CG2 3.86Å; M528-T964 HydrophobicContact SD-CG2 4.16Å
529	G	40.7	Very low	57.2	Low	84 Å²	84	57.9 Å²	57.9	87%	0.866	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.3	-39.3	-179.6	0	0	0	0	0	113.3	E527	E527-G529 PolarHBondContact O-N 2.81Å
530	T	51.1	Low	57	Low	81 Å²	81	60.5 Å²	60.5	50%	0.497	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-28.1	177	66.7	0	0	0	0	112.6	E527 Q532	E527-T530 PolarHBondContact O-N 3.3Å; T530-Q532 PolarHBondContact O-N 3.45Å; T530-Q532 VanDerWaalsContact O-N 3.13Å; T530-Q532 PolarHBondContact OG1-N 3.08Å; T530-Q532 VanDerWaalsContact OG1-N 3.15Å
531	G	51.5	Low	57.4	Low	46 Å²	46	61.7 Å²	61.7	47%	0.474	36%	0.358	S	S	.	.			trans	67.7	-0.6	-169.9	0	0	0	0	0	114	E527	E527-G531 PolarHBondContact O-N 3.29Å
532	Q	51.9	Low	58.3	Low	128 Å²	128	62.9 Å²	62.9	60%	0.598	37%	0.37	S	S	*	.			trans	-76.8	145.2	176.6	-66.4	-173.5	-50.4	0	0	110.2	K526 E527 T530 R534	K526-Q532 CarbonylContact C-O 3.48Å; K526-Q532 VanDerWaalsContact CA-O 3.3Å; K526-Q532 WeakPolarHBondContact CA-O 3.33Å; E527-Q532 PolarHBondContact N-O 3.07Å; T530-Q532 PolarHBondContact O-N 3.45Å; T530-Q532 VanDerWaalsContact O-N 3.13Å; T530-Q532 PolarHBondContact OG1-N 3.08Å; T530-Q532 VanDerWaalsContact OG1-N 3.15Å; Q532-R534 PolarHBondContact O-N 3.44Å
533	Y	63.9	Low	59.3	Low	45 Å²	45	63.8 Å²	63.8	18%	0.176	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-61.3	127.8	168.5	-54.8	-77.6	0	0	0	109.6	E523 P524 Y525 K526 I535	E523-Y533 HydrophobicContact CB-CE1 4.34Å; E523-Y533 PolarHBondContact OE2-OH 2.83Å; P524-Y533 HydrophobicContact CB-CD1 3.81Å; P524-Y533 HydrophobicContact CB-CG 4.43Å; P524-Y533 HydrophobicContact CG-CD1 3.86Å; P524-Y533 HydrophobicContact CG-CE1 4.39Å; P524-Y533 HydrophobicContact CG-CG 4.45Å; Y525-Y533 CarbonylContact O-C 3.56Å; Y525-Y533 WeakPolarHBondContact O-CA 3.46Å; K526-Y533 HydrophobicContact CD-CE1 4.19Å; K526-Y533 VanDerWaalsContact CE-OH 3.31Å; K526-Y533 WeakPolarHBondContact CE-OH 3.48Å; K526-Y533 HydrophobicContact CG-CD1 3.9Å; K526-Y533 HydrophobicContact CG-CE1 4.06Å; K526-Y533 PolarHBondContact NZ-OH 3.37Å; Y533-I535 PolarHBondContact O-N 2.79Å
534	R	72.2	Confident	60.4	Low	65 Å²	65	63.1 Å²	63.1	25%	0.245	37%	0.373	C	S	.	.			trans	-67.4	99.4	171.6	-175.5	175.5	176.4	119.4	-11.7	108.8	Y525 E527 Q532 G542 Y563 C564	Y525-R534 HydrophobicContact CD1-CB 3.8Å; Y525-R534 PolarHBondContact O-N 2.03Å; E527-R534 HydrophobicContact CG-CB 3.79Å; E527-R534 HydrophobicContact CG-CG 4.31Å; E527-R534 WeakPolarHBondContact OE1-CD 3.37Å; E527-R534 IonicContact OE1-CZ 3.25Å; E527-R534 IonicContact OE1-NE 2.73Å; E527-R534 IonicContact OE1-NH1 2.8Å; E527-R534 PolarHBondContact OE1-NH1 3.32Å; Q532-R534 PolarHBondContact O-N 3.44Å; R534-G542 PolarHBondContact NE-O 3.32Å; R534-G542 PolarHBondContact NH2-O 2.9Å; R534-Y563 WeakPolarHBondContact O-CA 3.49Å; R534-C564 HydrophobicContact CB-CB 4.37Å; R534-C564 PolarHBondContact O-N 2.68Å
535	I	70.3	Confident	60.5	Low	76 Å²	76	69.9 Å²	69.9	39%	0.39	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	141.1	159.6	-60.6	167.2	0	0	0	106.8	Y533 L541 N561 N562 Y563	Y533-I535 PolarHBondContact O-N 2.79Å; I535-L541 VanDerWaalsContact O-CD2 3.31Å; I535-L541 WeakPolarHBondContact O-CD2 3.45Å; I535-N561 WeakPolarHBondContact CD1-ND2 3.33Å; I535-N561 HydrophobicContact CG1-CB 4.48Å; I535-N561 HydrophobicContact CG2-CB 4.42Å; I535-N562 CarbonylContact C-O 3.5Å; I535-N562 VanDerWaalsContact CA-O 3.32Å; I535-N562 WeakPolarHBondContact CA-O 3.35Å; I535-Y563 HydrophobicContact CG1-CD1 3.93Å; I535-Y563 HydrophobicContact CG1-CE1 3.54Å
536	C	66.6	Low	60.4	Low	3 Å²	3	68.3 Å²	68.3	2%	0.02	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.5	173.1	59.7	0	0	0	0	110.2	L541 C549 N562 Y563	C536-L541 VanDerWaalsContact CA-O 3.31Å; C536-L541 WeakPolarHBondContact CA-O 3.4Å; C536-L541 WeakPolarHBondContact CB-O 3.48Å; C536-C549 HydrophobicContact CB-CB 3.87Å; C536-C549 WeakPolarHBondContact CB-SG 3.19Å; C536-C549 WeakPolarHBondContact SG-CA 3.31Å; C536-C549 WeakPolarHBondContact SG-CB 3.41Å; C536-C549 CovalentContact SG-SG 2.03Å; C536-C549 PolarHBondContact SG-SG 2.67Å; C536-N562 PolarHBondContact N-O 3.32Å; C536-N562 WeakPolarHBondContact O-CB 3.41Å; C536-N562 PolarHBondContact O-ND2 2.89Å; C536-N562 VanDerWaalsContact SG-C 3.52Å; C536-Y563 VanDerWaalsContact SG-CA 3.58Å; C536-Y563 PolarHBondContact SG-N 3.44Å
537	D	64.6	Low	60.8	Low	56 Å²	56	66.4 Å²	66.4	30%	0.299	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-126.9	120.5	167.6	169	17.7	0	0	0	105.3	A539 T540 L541	D537-A539 PolarHBondContact O-N 2.86Å; D537-A539 VanDerWaalsContact O-N 3.11Å; D537-A539 PolarHBondContact OD1-N 3.07Å; D537-T540 PolarHBondContact O-N 3.5Å; D537-T540 WeakPolarHBondContact OD2-CB 3.47Å; D537-T540 WeakPolarHBondContact OD2-CG2 3.02Å; D537-T540 PolarHBondContact OD2-N 3.5Å; D537-T540 VanDerWaalsContact OD2-N 3.17Å; D537-T540 PolarHBondContact OD2-OG1 2.92Å; D537-L541 HydrophobicContact CB-CB 4.15Å; D537-L541 PolarHBondContact N-O 2.87Å; D537-L541 CarbonylContact O-C 3.49Å; D537-L541 PolarHBondContact O-N 3.21Å
538	P	56.5	Low	61.3	Low	33 Å²	33	66.4 Å²	66.4	21%	0.214	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.9	174.3	-27.8	36.2	0	0	0	113	C549 F743 L744	P538-C549 HydrophobicContact CG-CB 4.46Å; P538-F743 WeakPolarHBondContact O-CB 3.32Å; P538-L744 HydrophobicContact CB-CD2 3.4Å; P538-L744 VanDerWaalsContact CB-CD2 3.4Å; P538-L744 HydrophobicContact CB-CG 3.72Å; P538-L744 HydrophobicContact CG-CD2 3.97Å
539	A	46.7	Very low	62.7	Low	45 Å²	45	61.3 Å²	61.3	37%	0.372	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-32.7	-178.7	0	0	0	0	0	114.7	D537	D537-A539 PolarHBondContact O-N 2.86Å; D537-A539 VanDerWaalsContact O-N 3.11Å; D537-A539 PolarHBondContact OD1-N 3.07Å
540	T	49.3	Very low	63.9	Low	117 Å²	117	58.1 Å²	58.1	72%	0.718	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-20.8	-169.8	67.4	0	0	0	0	116.3	D537	D537-T540 PolarHBondContact O-N 3.5Å; D537-T540 WeakPolarHBondContact OD2-CB 3.47Å; D537-T540 WeakPolarHBondContact OD2-CG2 3.02Å; D537-T540 PolarHBondContact OD2-N 3.5Å; D537-T540 VanDerWaalsContact OD2-N 3.17Å; D537-T540 PolarHBondContact OD2-OG1 2.92Å
541	L	59.1	Low	64.3	Low	83 Å²	83	56.7 Å²	56.7	44%	0.435	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-136.9	76.3	-168.7	-171.2	65.1	0	0	0	111.1	I535 C536 D537	I535-L541 VanDerWaalsContact O-CD2 3.31Å; I535-L541 WeakPolarHBondContact O-CD2 3.45Å; C536-L541 VanDerWaalsContact CA-O 3.31Å; C536-L541 WeakPolarHBondContact CA-O 3.4Å; C536-L541 WeakPolarHBondContact CB-O 3.48Å; D537-L541 HydrophobicContact CB-CB 4.15Å; D537-L541 PolarHBondContact N-O 2.87Å; D537-L541 CarbonylContact O-C 3.49Å; D537-L541 PolarHBondContact O-N 3.21Å
542	G	65.7	Low	64.2	Low	48 Å²	48	55.5 Å²	55.5	50%	0.495	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-65.8	167.9	-178.3	0	0	0	0	0	115.1	R534	R534-G542 PolarHBondContact NE-O 3.32Å; R534-G542 PolarHBondContact NH2-O 2.9Å
543	C	71.2	Confident	63.9	Low	34 Å²	34	52.4 Å²	52.4	23%	0.23	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-98.4	159.6	-173.2	-69.7	0	0	0	0	114.5	F547 C564	C543-F547 HydrophobicContact CB-CB 4.03Å; C543-F547 WeakPolarHBondContact CB-O 3.35Å; C543-C564 WeakPolarHBondContact CA-SG 3.36Å; C543-C564 HydrophobicContact CB-CB 3.74Å; C543-C564 WeakPolarHBondContact CB-SG 3.5Å; C543-C564 WeakPolarHBondContact SG-CA 3.09Å; C543-C564 WeakPolarHBondContact SG-CB 3.32Å; C543-C564 CovalentContact SG-SG 2.04Å; C543-C564 PolarHBondContact SG-SG 3.4Å
544	P	76.6	Confident	62.9	Low	30 Å²	30	55.8 Å²	55.8	20%	0.195	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-59.6	155.2	171.4	-21.1	32.8	0	0	0	111.9	Y525 G546 F547	Y525-P544 HydrophobicContact CD1-CG 3.85Å; Y525-P544 HydrophobicContact CD2-CG 4.03Å; Y525-P544 HydrophobicContact CE1-CG 3.72Å; Y525-P544 HydrophobicContact CE2-CB 4.35Å; Y525-P544 HydrophobicContact CE2-CG 3.93Å; Y525-P544 HydrophobicContact CG-CG 4Å; P544-G546 PolarHBondContact O-N 3.41Å; P544-F547 HydrophobicContact CB-CD2 4.13Å; P544-F547 WeakPolarHBondContact O-CB 3.35Å; P544-F547 PolarHBondContact O-N 2.87Å
545	V	67.8	Low	61.1	Low	148 Å²	148	58.2 Å²	58.2	90%	0.897	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.8	173.8	179.8	0	0	0	0	109.8
546	G	68.3	Low	59.3	Low	20 Å²	20	59.3 Å²	59.3	21%	0.206	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	0.5	-173.7	0	0	0	0	0	115	P544 A566 T567 T570	P544-G546 PolarHBondContact O-N 3.41Å; G546-A566 WeakPolarHBondContact O-CA 3Å; G546-T567 PolarHBondContact O-N 3.47Å; G546-T567 PolarHBondContact O-OG1 3.2Å; G546-T570 WeakPolarHBondContact CA-OG1 3.41Å; G546-T570 WeakPolarHBondContact O-CB 3.33Å; G546-T570 PolarHBondContact O-OG1 2.93Å
547	F	77.8	Confident	57.8	Low	49 Å²	49	66.2 Å²	66.2	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.3	175	-65	-103.2	0	0	0	110.6	Y525 C543 P544 C564 C565 A566	Y525-F547 HydrophobicContact CD2-CD1 4.28Å; Y525-F547 HydrophobicContact CD2-CD2 4.13Å; Y525-F547 AromaticContact CD2-CE1 3.92Å; Y525-F547 HydrophobicContact CD2-CE1 3.92Å; Y525-F547 AromaticContact CD2-CE2 3.78Å; Y525-F547 HydrophobicContact CD2-CE2 3.78Å; Y525-F547 HydrophobicContact CD2-CG 4.39Å; Y525-F547 AromaticContact CD2-CZ 3.68Å; Y525-F547 HydrophobicContact CD2-CZ 3.68Å; Y525-F547 HydrophobicContact CE2-CE2 4.37Å; Y525-F547 HydrophobicContact CG-CD1 4.41Å; Y525-F547 HydrophobicContact CG-CE1 4.33Å; C543-F547 HydrophobicContact CB-CB 4.03Å; C543-F547 WeakPolarHBondContact CB-O 3.35Å; P544-F547 HydrophobicContact CB-CD2 4.13Å; P544-F547 WeakPolarHBondContact O-CB 3.35Å; P544-F547 PolarHBondContact O-N 2.87Å; F547-C564 HydrophobicContact CB-CB 4.09Å; F547-C565 CarbonylContact C-O 3.54Å; F547-C565 WeakPolarHBondContact CA-O 3.41Å; F547-C565 VanDerWaalsContact CD1-C 3.47Å; F547-A566 HydrophobicContact CD1-CB 4.04Å; F547-A566 VanDerWaalsContact CD1-N 3.29Å; F547-A566 HydrophobicContact CE1-CB 3.69Å; F547-A566 HydrophobicContact CZ-CB 4.16Å
548	I	72.2	Confident	56.5	Low	69 Å²	69	74 Å²	74	35%	0.354	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.5	175.2	-174.8	164	0	0	0	109.6	T550 C565 T567 L631	I548-T550 HydrophobicContact CG2-CG2 3.96Å; I548-T550 PolarHBondContact O-N 2.83Å; I548-C565 PolarHBondContact N-O 2.82Å; I548-C565 PolarHBondContact O-N 3.22Å; I548-T567 HydrophobicContact CB-CG2 4.03Å; I548-T567 HydrophobicContact CG2-CG2 3.96Å; I548-L631 HydrophobicContact CD1-CD1 3.98Å
549	C	72.7	Confident	55.5	Low	27 Å²	27	77.3 Å²	77.3	18%	0.182	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.3	177.8	-172.4	0	0	0	0	109.8	C536 P538 N562	C536-C549 HydrophobicContact CB-CB 3.87Å; C536-C549 WeakPolarHBondContact CB-SG 3.19Å; C536-C549 WeakPolarHBondContact SG-CA 3.31Å; C536-C549 WeakPolarHBondContact SG-CB 3.41Å; C536-C549 CovalentContact SG-SG 2.03Å; C536-C549 PolarHBondContact SG-SG 2.67Å; P538-C549 HydrophobicContact CG-CB 4.46Å; C549-N562 WeakPolarHBondContact SG-CB 3.49Å
550	T	66.3	Low	55.7	Low	18 Å²	18	84 Å²	84	11%	0.11	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.9	-177.6	59.8	0	0	0	0	111.9	P519 I548 T552 N562 Y563 C565	P519-T550 WeakPolarHBondContact CD-OG1 3.35Å; P519-T550 HydrophobicContact CG-CG2 4.26Å; I548-T550 HydrophobicContact CG2-CG2 3.96Å; I548-T550 PolarHBondContact O-N 2.83Å; T550-T552 PolarHBondContact O-N 3.1Å; T550-N562 CarbonylContact O-C 3.47Å; T550-N562 VanDerWaalsContact O-CA 3.27Å; T550-N562 WeakPolarHBondContact O-CA 3.27Å; T550-Y563 PolarHBondContact N-O 2.76Å; T550-Y563 PolarHBondContact O-N 2.85Å; T550-Y563 PolarHBondContact OG1-O 2.82Å; T550-C565 HydrophobicContact CG2-CB 3.87Å; T550-C565 WeakPolarHBondContact OG1-CB 3.49Å; T550-C565 PolarHBondContact OG1-SG 2.03Å
551	P	59.1	Low	56.1	Low	51 Å²	51	80.5 Å²	80.5	33%	0.331	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123	167.5	27.5	-32.5	0	0	0	109.4	N562	P551-N562 WeakPolarHBondContact CA-OD1 3.24Å; P551-N562 WeakPolarHBondContact CB-OD1 3.41Å
552	T	50.1	Low	56.5	Low	20 Å²	20	78.2 Å²	78.2	12%	0.123	43%	0.425	C	S	.	.			trans	-97.8	109.8	171.4	54.4	0	0	0	0	109.2	T550 I554 N561 Y563	T550-T552 PolarHBondContact O-N 3.1Å; T552-I554 PolarHBondContact O-N 3.3Å; T552-N561 PolarHBondContact OG1-O 3.05Å; T552-Y563 HydrophobicContact CG2-CD2 3.85Å; T552-Y563 VanDerWaalsContact OG1-CD2 3.31Å; T552-Y563 WeakPolarHBondContact OG1-CD2 3.44Å; T552-Y563 VanDerWaalsContact OG1-CE2 3.29Å; T552-Y563 WeakPolarHBondContact OG1-CE2 3.48Å
553	T	44.8	Very low	56.8	Low	64 Å²	64	78 Å²	78	39%	0.393	41%	0.41	S	S	.	.			trans	-68.6	115.8	-179.5	-45.3	0	0	0	0	110.8	N705	T553-N705 HydrophobicContact CG2-CB 3.93Å; T553-N705 WeakPolarHBondContact OG1-CB 3.35Å
554	I	42.8	Very low	57.1	Low	116 Å²	116	76.3 Å²	76.3	60%	0.595	40%	0.399	S	S	*	.			trans	-106.9	111.9	159.8	-62.6	166	0	0	0	105.9	T552	T552-I554 PolarHBondContact O-N 3.3Å
555	Q	34.7	Very low	57.1	Low	115 Å²	115	75 Å²	75	54%	0.537	39%	0.39	S	S	.	.			trans	-68.1	144	168.2	-77.8	-175.8	-47.1	0	0	109.6
556	S	32.1	Very low	57.5	Low	99 Å²	99	68.5 Å²	68.5	69%	0.692	35%	0.352	S	S	*	.	S	Bend	trans	75	101.3	-173.5	-152.3	0	0	0	0	115.9
557	L	36.4	Very low	57.9	Low	149 Å²	149	69.5 Å²	69.5	78%	0.78	35%	0.354	S	S	*	.	S	Bend	trans	69	88.4	150.6	-60.5	164.2	0	0	0	119.2
558	Y	35.9	Very low	58.1	Low	220 Å²	220	67.5 Å²	67.5	86%	0.863	35%	0.345	S	S	*	.	S	Bend	trans	68.9	49.3	137.5	-92.8	-82.1	0	0	0	120.9
559	V	36.5	Very low	58.6	Low	102 Å²	102	65.3 Å²	65.3	62%	0.618	34%	0.337	S	S	*	.			trans	-147.4	117.6	132.4	-173.8	0	0	0	0	110.2	N561	V559-N561 HydrophobicContact CG1-CB 4.5Å; V559-N561 VanDerWaalsContact CG1-OD1 3.24Å; V559-N561 WeakPolarHBondContact CG1-OD1 3.45Å; V559-N561 PolarHBondContact O-N 2.92Å
560	R	50.9	Low	59	Low	185 Å²	185	65.5 Å²	65.5	70%	0.698	34%	0.338	S	S	*	.			trans	-87.3	88.3	164.5	-72.1	-168.9	-175.7	-146	-0.1	109.6	D704 N705	R560-D704 IonicContact NH2-OD2 2.68Å; R560-N705 PolarHBondContact NH1-OD1 3.12Å
561	N	56.5	Low	59.9	Low	44 Å²	44	65 Å²	65	24%	0.235	33%	0.334	C	S	.	.			trans	-89.6	127.2	163.4	-78.2	-8	0	0	0	108.8	I535 T552 V559 Y563	I535-N561 WeakPolarHBondContact CD1-ND2 3.33Å; I535-N561 HydrophobicContact CG1-CB 4.48Å; I535-N561 HydrophobicContact CG2-CB 4.42Å; T552-N561 PolarHBondContact OG1-O 3.05Å; V559-N561 HydrophobicContact CG1-CB 4.5Å; V559-N561 VanDerWaalsContact CG1-OD1 3.24Å; V559-N561 WeakPolarHBondContact CG1-OD1 3.45Å; V559-N561 PolarHBondContact O-N 2.92Å; N561-Y563 HydrophobicContact CB-CD2 4.31Å; N561-Y563 HydrophobicContact CB-CE1 4.23Å; N561-Y563 HydrophobicContact CB-CE2 3.57Å; N561-Y563 PolarHBondContact ND2-OH 2.97Å
562	N	67.8	Low	61.3	Low	34 Å²	34	62.6 Å²	62.6	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	150.9	158.9	-37.3	-69.3	0	0	0	107.7	I535 C536 C549 T550 P551	I535-N562 CarbonylContact C-O 3.5Å; I535-N562 VanDerWaalsContact CA-O 3.32Å; I535-N562 WeakPolarHBondContact CA-O 3.35Å; C536-N562 PolarHBondContact N-O 3.32Å; C536-N562 WeakPolarHBondContact O-CB 3.41Å; C536-N562 PolarHBondContact O-ND2 2.89Å; C536-N562 VanDerWaalsContact SG-C 3.52Å; C549-N562 WeakPolarHBondContact SG-CB 3.49Å; T550-N562 CarbonylContact O-C 3.47Å; T550-N562 VanDerWaalsContact O-CA 3.27Å; T550-N562 WeakPolarHBondContact O-CA 3.27Å; P551-N562 WeakPolarHBondContact CA-OD1 3.24Å; P551-N562 WeakPolarHBondContact CB-OD1 3.41Å
563	Y	73.5	Confident	63.1	Low	43 Å²	43	64.5 Å²	64.5	17%	0.169	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.5	175.5	-58.3	-90.7	0	0	0	111.9	P524 R534 I535 C536 T550 T552 N561 C565	P524-Y563 HydrophobicContact CB-CG 4.25Å; P524-Y563 HydrophobicContact CG-CG 4.12Å; R534-Y563 WeakPolarHBondContact O-CA 3.49Å; I535-Y563 HydrophobicContact CG1-CD1 3.93Å; I535-Y563 HydrophobicContact CG1-CE1 3.54Å; C536-Y563 VanDerWaalsContact SG-CA 3.58Å; C536-Y563 PolarHBondContact SG-N 3.44Å; T550-Y563 PolarHBondContact N-O 2.76Å; T550-Y563 PolarHBondContact O-N 2.85Å; T550-Y563 PolarHBondContact OG1-O 2.82Å; T552-Y563 HydrophobicContact CG2-CD2 3.85Å; T552-Y563 VanDerWaalsContact OG1-CD2 3.31Å; T552-Y563 WeakPolarHBondContact OG1-CD2 3.44Å; T552-Y563 VanDerWaalsContact OG1-CE2 3.29Å; T552-Y563 WeakPolarHBondContact OG1-CE2 3.48Å; N561-Y563 HydrophobicContact CB-CD2 4.31Å; N561-Y563 HydrophobicContact CB-CE1 4.23Å; N561-Y563 HydrophobicContact CB-CE2 3.57Å; N561-Y563 PolarHBondContact ND2-OH 2.97Å; Y563-C565 PolarHBondContact O-N 3.03Å
564	C	77.6	Confident	65.1	Low	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.7	176.3	-67.6	0	0	0	0	111.2	P524 Y525 R534 C543 F547	P524-C564 CarbonylContact C-O 3.51Å; P524-C564 VanDerWaalsContact CA-O 3.28Å; P524-C564 WeakPolarHBondContact CA-O 3.35Å; P524-C564 WeakPolarHBondContact CB-O 3.37Å; Y525-C564 PolarHBondContact N-O 3.12Å; R534-C564 HydrophobicContact CB-CB 4.37Å; R534-C564 PolarHBondContact O-N 2.68Å; C543-C564 WeakPolarHBondContact CA-SG 3.36Å; C543-C564 HydrophobicContact CB-CB 3.74Å; C543-C564 WeakPolarHBondContact CB-SG 3.5Å; C543-C564 WeakPolarHBondContact SG-CA 3.09Å; C543-C564 WeakPolarHBondContact SG-CB 3.32Å; C543-C564 CovalentContact SG-SG 2.04Å; C543-C564 PolarHBondContact SG-SG 3.4Å; F547-C564 HydrophobicContact CB-CB 4.09Å
565	C	75	Confident	67.1	Low	2 Å²	2	63.7 Å²	63.7	1%	0.014	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.8	-171.4	-89.2	0	0	0	0	111.7	C518 F547 I548 T550 Y563 T567	C518-C565 WeakPolarHBondContact CA-SG 3.09Å; C518-C565 HydrophobicContact CB-CB 3.54Å; C518-C565 WeakPolarHBondContact CB-SG 3.5Å; C518-C565 WeakPolarHBondContact SG-CA 3.2Å; C518-C565 WeakPolarHBondContact SG-CB 3.26Å; C518-C565 CovalentContact SG-SG 2.02Å; C518-C565 PolarHBondContact SG-SG 2.77Å; F547-C565 CarbonylContact C-O 3.54Å; F547-C565 WeakPolarHBondContact CA-O 3.41Å; F547-C565 VanDerWaalsContact CD1-C 3.47Å; I548-C565 PolarHBondContact N-O 2.82Å; I548-C565 PolarHBondContact O-N 3.22Å; T550-C565 HydrophobicContact CG2-CB 3.87Å; T550-C565 WeakPolarHBondContact OG1-CB 3.49Å; T550-C565 PolarHBondContact OG1-SG 2.03Å; Y563-C565 PolarHBondContact O-N 3.03Å; C565-T567 PolarHBondContact O-N 3.31Å
566	A	76	Confident	69.8	Low	12 Å²	12	65.5 Å²	65.5	10%	0.099	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.3	-172.6	0	0	0	0	0	110.6	G546 F547 T570 I571	G546-A566 WeakPolarHBondContact O-CA 3Å; F547-A566 HydrophobicContact CD1-CB 4.04Å; F547-A566 VanDerWaalsContact CD1-N 3.29Å; F547-A566 HydrophobicContact CE1-CB 3.69Å; F547-A566 HydrophobicContact CZ-CB 4.16Å; A566-T570 HydrophobicContact CB-CG2 4.49Å; A566-I571 HydrophobicContact CB-CD1 4.16Å; A566-I571 HydrophobicContact CB-CG1 3.89Å
567	T	76.7	Confident	72.2	Confident	40 Å²	40	63.7 Å²	63.7	25%	0.245	32%	0.319	C	S	.	.			trans	-71.2	156.8	177.3	60.7	0	0	0	0	111.2	G546 I548 C565 A569 T570 I571	G546-T567 PolarHBondContact O-N 3.47Å; G546-T567 PolarHBondContact O-OG1 3.2Å; I548-T567 HydrophobicContact CB-CG2 4.03Å; I548-T567 HydrophobicContact CG2-CG2 3.96Å; C565-T567 PolarHBondContact O-N 3.31Å; T567-A569 VanDerWaalsContact C-N 3.3Å; T567-A569 PolarHBondContact O-N 3.26Å; T567-T570 WeakPolarHBondContact O-CA 3.45Å; T567-T570 WeakPolarHBondContact O-CB 3.4Å; T567-T570 PolarHBondContact O-N 2.89Å; T567-T570 PolarHBondContact OG1-N 3.4Å; T567-T570 PolarHBondContact OG1-OG1 3.37Å; T567-I571 PolarHBondContact O-N 3.33Å
568	R	82.8	Confident	74.5	Confident	8 Å²	8	60.1 Å²	60.1	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-44.3	-54.5	171.5	-57.2	175.3	-173.8	178.8	-3.1	112	E520 T570 I571 C572 Y623 S626 A627 Q633 A691	E520-R568 IonicContact OE1-CZ 3.87Å; E520-R568 VanDerWaalsContact OE1-CZ 3.25Å; E520-R568 IonicContact OE1-NE 2.66Å; E520-R568 PolarHBondContact OE1-NE 2.87Å; E520-R568 IonicContact OE1-NH2 3.35Å; E520-R568 PolarHBondContact OE1-NH2 2.92Å; E520-R568 WeakPolarHBondContact OE2-CG 3.39Å; E520-R568 IonicContact OE2-NE 2.78Å; E520-R568 PolarHBondContact OE2-NE 3.29Å; R568-T570 PolarHBondContact O-N 2.61Å; R568-I571 PolarHBondContact O-N 3.03Å; R568-I571 VanDerWaalsContact O-N 3.16Å; R568-C572 WeakPolarHBondContact O-CB 2.98Å; R568-C572 PolarHBondContact O-N 2.84Å; R568-C572 PolarHBondContact O-SG 2.79Å; R568-Y623 HydrophobicContact CB-CE1 4.06Å; R568-Y623 HydrophobicContact CG-CE1 4.15Å; R568-Y623 HydrophobicContact CG-CE2 3.95Å; R568-Y623 WeakPolarHBondContact CG-OH 3.17Å; R568-S626 VanDerWaalsContact CD-O 3.28Å; R568-S626 WeakPolarHBondContact CD-O 3.28Å; R568-S626 PolarHBondContact NH1-O 3.07Å; R568-A627 HydrophobicContact CB-CB 3.77Å; R568-Q633 PolarHBondContact NH1-O 2.94Å; R568-A691 VanDerWaalsContact CZ-CB 3.48Å
569	A	81.9	Confident	76.5	Confident	23 Å²	23	50.5 Å²	50.5	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-35.5	178.5	0	0	0	0	0	113	T567 S573 A627	T567-A569 VanDerWaalsContact C-N 3.3Å; T567-A569 PolarHBondContact O-N 3.26Å; A569-S573 WeakPolarHBondContact O-CB 3.49Å; A569-S573 PolarHBondContact O-N 3.29Å; A569-S573 PolarHBondContact O-OG 3.34Å; A569-A627 HydrophobicContact CB-CB 4.23Å
570	T	82.5	Confident	78.2	Confident	31 Å²	31	50 Å²	50	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-48.1	176.3	-55.9	0	0	0	0	111.3	G546 A566 T567 R568 C572 S573 L574	G546-T570 WeakPolarHBondContact CA-OG1 3.41Å; G546-T570 WeakPolarHBondContact O-CB 3.33Å; G546-T570 PolarHBondContact O-OG1 2.93Å; A566-T570 HydrophobicContact CB-CG2 4.49Å; T567-T570 WeakPolarHBondContact O-CA 3.45Å; T567-T570 WeakPolarHBondContact O-CB 3.4Å; T567-T570 PolarHBondContact O-N 2.89Å; T567-T570 PolarHBondContact OG1-N 3.4Å; T567-T570 PolarHBondContact OG1-OG1 3.37Å; R568-T570 PolarHBondContact O-N 2.61Å; T570-C572 PolarHBondContact O-N 2.76Å; T570-S573 PolarHBondContact O-N 2.69Å; T570-S573 VanDerWaalsContact O-N 3.08Å; T570-S573 PolarHBondContact O-OG 2.83Å; T570-L574 WeakPolarHBondContact O-CG 2.9Å; T570-L574 PolarHBondContact O-N 2.86Å
571	I	84.2	Confident	79.2	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-49.3	177.3	-73.9	169	0	0	0	110.7	A566 T567 R568 S573 L574 R611 N612 F614 Y623	A566-I571 HydrophobicContact CB-CD1 4.16Å; A566-I571 HydrophobicContact CB-CG1 3.89Å; T567-I571 PolarHBondContact O-N 3.33Å; R568-I571 PolarHBondContact O-N 3.03Å; R568-I571 VanDerWaalsContact O-N 3.16Å; I571-S573 PolarHBondContact O-N 2.95Å; I571-L574 WeakPolarHBondContact O-CB 3.35Å; I571-L574 WeakPolarHBondContact O-CG 3.31Å; I571-L574 PolarHBondContact O-N 3.31Å; I571-R611 HydrophobicContact CB-CB 4.41Å; I571-R611 HydrophobicContact CG1-CB 4.1Å; I571-R611 HydrophobicContact CG2-CB 3.66Å; I571-R611 WeakPolarHBondContact CG2-O 3.36Å; I571-N612 WeakPolarHBondContact O-CB 3.06Å; I571-F614 HydrophobicContact CG2-CZ 4.4Å; I571-Y623 HydrophobicContact CB-CE1 4.24Å; I571-Y623 HydrophobicContact CD1-CE1 4.39Å; I571-Y623 WeakPolarHBondContact CD1-OH 3.36Å; I571-Y623 HydrophobicContact CG2-CE1 3.93Å
572	C	89	Confident	79.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.1	179.3	-55.8	0	0	0	0	113.8	R568 T570 F592 T594 N612 C624 L665	R568-C572 WeakPolarHBondContact O-CB 2.98Å; R568-C572 PolarHBondContact O-N 2.84Å; R568-C572 PolarHBondContact O-SG 2.79Å; T570-C572 PolarHBondContact O-N 2.76Å; C572-F592 HydrophobicContact CB-CB 4.2Å; C572-F592 HydrophobicContact CB-CD1 4.18Å; C572-F592 HydrophobicContact CB-CG 4.34Å; C572-T594 WeakPolarHBondContact O-CG2 3.41Å; C572-N612 PolarHBondContact O-ND2 3.24Å; C572-C624 HydrophobicContact CB-CB 3.63Å; C572-C624 WeakPolarHBondContact CB-SG 3.29Å; C572-C624 WeakPolarHBondContact SG-CA 3.39Å; C572-C624 WeakPolarHBondContact SG-CB 3.5Å; C572-C624 CovalentContact SG-SG 2.03Å; C572-C624 PolarHBondContact SG-SG 2.82Å; C572-L665 HydrophobicContact CB-CD2 3.65Å
573	S	88.6	Confident	78.8	Confident	60 Å²	60	47 Å²	47	42%	0.42	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.9	173.1	74.6	0	0	0	0	114.3	A569 T570 I571	A569-S573 WeakPolarHBondContact O-CB 3.49Å; A569-S573 PolarHBondContact O-N 3.29Å; A569-S573 PolarHBondContact O-OG 3.34Å; T570-S573 PolarHBondContact O-N 2.69Å; T570-S573 VanDerWaalsContact O-N 3.08Å; T570-S573 PolarHBondContact O-OG 2.83Å; I571-S573 PolarHBondContact O-N 2.95Å
574	L	85.7	Confident	77.9	Confident	65 Å²	65	48.7 Å²	48.7	34%	0.34	29%	0.285	S	S	.	.	S	Bend	trans	-67.8	136.6	178.3	-54.8	172.5	0	0	0	109.9	T570 I571 N610 R611 N612	T570-L574 WeakPolarHBondContact O-CG 2.9Å; T570-L574 PolarHBondContact O-N 2.86Å; I571-L574 WeakPolarHBondContact O-CB 3.35Å; I571-L574 WeakPolarHBondContact O-CG 3.31Å; I571-L574 PolarHBondContact O-N 3.31Å; L574-N610 WeakPolarHBondContact CB-OD1 2.91Å; L574-N610 HydrophobicContact CD1-CB 3.95Å; L574-R611 HydrophobicContact CD1-CB 4.45Å; L574-N612 HydrophobicContact CB-CB 4.19Å; L574-N612 PolarHBondContact O-ND2 2.81Å
575	S	85.7	Confident	76.7	Confident	98 Å²	98	50.1 Å²	50.1	69%	0.685	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-55.2	158.5	174.2	-53.3	0	0	0	0	112	D577 N610	S575-D577 PolarHBondContact O-N 2.89Å; S575-N610 PolarHBondContact O-ND2 2.03Å
576	R	89.8	Confident	76.4	Confident	154 Å²	154	52.9 Å²	52.9	58%	0.581	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-53.1	134.2	168.5	83.5	-175.1	-158.1	-175.4	7.5	110	Y591	R576-Y591 HydrophobicContact CB-CD1 4Å; R576-Y591 HydrophobicContact CB-CD2 3.71Å; R576-Y591 HydrophobicContact CB-CE1 3.87Å; R576-Y591 HydrophobicContact CB-CE2 3.56Å; R576-Y591 HydrophobicContact CB-CG 3.93Å
577	D	84.1	Confident	76.2	Confident	61 Å²	61	54.2 Å²	54.2	33%	0.326	32%	0.319	S	S	.	.			trans	-141.8	117.1	176.6	-174.2	-3.9	0	0	0	109.6	S575 G579 G609 N610	S575-D577 PolarHBondContact O-N 2.89Å; D577-G579 VanDerWaalsContact C-N 3.27Å; D577-G579 PolarHBondContact OD1-N 2.98Å; D577-G609 VanDerWaalsContact CG-CA 3.44Å; D577-G609 VanDerWaalsContact OD2-CA 3.29Å; D577-G609 WeakPolarHBondContact OD2-CA 3.42Å; D577-N610 HydrophobicContact CB-CB 4.33Å; D577-N610 WeakPolarHBondContact CB-ND2 3.29Å; D577-N610 PolarHBondContact OD2-N 3.23Å
578	Q	83	Confident	76.4	Confident	74 Å²	74	57.9 Å²	57.9	35%	0.346	34%	0.335	S	S	.	.			trans	-79.4	-14.9	-178.3	-61.5	-173.1	-110.6	0	0	111.8	T603 Y604 L605	Q578-T603 WeakPolarHBondContact CB-O 3.35Å; Q578-T603 WeakPolarHBondContact CG-O 3.48Å; Q578-T603 PolarHBondContact NE2-O 3.46Å; Q578-Y604 WeakPolarHBondContact O-CD2 3.33Å; Q578-L605 HydrophobicContact CB-CD1 4.46Å; Q578-L605 HydrophobicContact CB-CG 4.25Å; Q578-L605 PolarHBondContact O-N 3.23Å
579	G	79.8	Confident	76.4	Confident	18 Å²	18	60.4 Å²	60.4	19%	0.186	34%	0.344	C	S	.	.			trans	71.4	-148.9	-176.7	0	0	0	0	0	113.5	D577 C607	D577-G579 VanDerWaalsContact C-N 3.27Å; D577-G579 PolarHBondContact OD1-N 2.98Å; G579-C607 CarbonylContact C-O 3.48Å; G579-C607 VanDerWaalsContact CA-O 3.3Å; G579-C607 WeakPolarHBondContact CA-O 3.3Å
580	V	71.8	Confident	76.8	Confident	90 Å²	90	62.4 Å²	62.4	55%	0.545	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.8	-176.9	-60.9	0	0	0	0	110.7	C582 L605 C607	V580-C582 PolarHBondContact O-N 3.34Å; V580-L605 CarbonylContact O-C 3.49Å; V580-C607 HydrophobicContact CG2-CB 4.01Å; V580-C607 PolarHBondContact N-O 2.04Å; V580-C607 PolarHBondContact O-N 3.36Å; V580-C607 VanDerWaalsContact O-N 3.15Å
581	Q	71.6	Confident	77.2	Confident	110 Å²	110	61.8 Å²	61.8	51%	0.514	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	118.3	177.4	-162	75.8	24.1	0	0	109.9	G583 L605	Q581-G583 PolarHBondContact NE2-O 2.02Å; Q581-L605 WeakPolarHBondContact CA-O 3.5Å; Q581-L605 HydrophobicContact CB-CB 4.43Å
582	C	55.8	Low	77.6	Confident	74 Å²	74	61.5 Å²	61.5	50%	0.5	34%	0.34	S	S	.	.			trans	-134.8	0.1	175	74.6	0	0	0	0	114.3	V580 L605 C607	V580-C582 PolarHBondContact O-N 3.34Å; C582-L605 PolarHBondContact N-O 3.17Å; C582-C607 HydrophobicContact CB-CB 3.52Å; C582-C607 WeakPolarHBondContact CB-SG 3.31Å; C582-C607 WeakPolarHBondContact SG-CB 3.35Å; C582-C607 PolarHBondContact SG-N 2.64Å; C582-C607 CovalentContact SG-SG 2.02Å; C582-C607 PolarHBondContact SG-SG 2.97Å
583	G	60.8	Low	77.7	Confident	18 Å²	18	62.8 Å²	62.8	19%	0.186	35%	0.347	C	S	.	.	S	Bend	trans	-137	174.6	173.7	0	0	0	0	0	110.5	Q581 S585	Q581-G583 PolarHBondContact NE2-O 2.02Å; G583-S585 PolarHBondContact O-N 3.37Å
584	S	53.2	Low	77.6	Confident	78 Å²	78	62.5 Å²	62.5	55%	0.545	34%	0.343	S	S	.	.	S	Bend	trans	-77.1	-3.6	179.4	36.6	0	0	0	0	114.4	P394 L395	P394-S584 WeakPolarHBondContact CA-OG 2.95Å; L395-S584 PolarHBondContact N-OG 2.81Å
585	S	52.9	Low	77.6	Confident	29 Å²	29	65.3 Å²	65.3	20%	0.203	36%	0.362	C	S	.	.			trans	-136.8	128.6	-175.2	61.3	0	0	0	0	112.2	G583	G583-S585 PolarHBondContact O-N 3.37Å
586	S	68.4	Low	77.7	Confident	61 Å²	61	64 Å²	64	43%	0.427	35%	0.351	S	S	.	.			trans	-77.3	145.9	162.1	57.7	0	0	0	0	111.1	Y604	S586-Y604 CarbonylContact C-O 3.39Å; S586-Y604 WeakPolarHBondContact CA-O 3.29Å; S586-Y604 WeakPolarHBondContact CB-O 3.05Å
587	L	73.1	Confident	77.5	Confident	39 Å²	39	60.3 Å²	60.3	20%	0.204	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.1	178.3	-61.6	177.3	0	0	0	110.8	K396 R589 Y604	K396-L587 HydrophobicContact CD-CD2 4.24Å; L587-R589 HydrophobicContact CB-CG 4.34Å; L587-R589 PolarHBondContact O-N 2.93Å; L587-Y604 HydrophobicContact CB-CD1 4.49Å; L587-Y604 PolarHBondContact N-O 3.16Å; L587-Y604 WeakPolarHBondContact O-CB 3.3Å; L587-Y604 PolarHBondContact O-N 3.26Å
588	M	79.7	Confident	77.7	Confident	118 Å²	118	59.6 Å²	59.6	58%	0.581	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.4	163.3	-166.4	64.9	74.9	0	0	108.8
589	R	83.8	Confident	78.1	Confident	60 Å²	60	56.3 Å²	56.3	23%	0.226	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	174.8	178.4	-66.9	-70.6	-174.9	80.7	-2.5	108.6	L587 S601 L602 Y604 N613 F614	L587-R589 HydrophobicContact CB-CG 4.34Å; L587-R589 PolarHBondContact O-N 2.93Å; R589-S601 CarbonylContact O-C 3.49Å; R589-S601 VanDerWaalsContact O-CA 3.31Å; R589-S601 WeakPolarHBondContact O-CA 3.32Å; R589-L602 HydrophobicContact CB-CD1 4.08Å; R589-L602 HydrophobicContact CB-CD2 4.28Å; R589-L602 HydrophobicContact CB-CG 3.88Å; R589-L602 PolarHBondContact N-O 2.78Å; R589-L602 PolarHBondContact O-N 2.75Å; R589-Y604 HydrophobicContact CG-CD1 4.38Å; R589-Y604 HydrophobicContact CG-CG 4.29Å; R589-N613 VanDerWaalsContact CB-OD1 3.31Å; R589-N613 WeakPolarHBondContact CB-OD1 3.47Å; R589-N613 WeakPolarHBondContact CD-OD1 3.5Å; R589-N613 WeakPolarHBondContact CG-OD1 3.48Å; R589-N613 PolarHBondContact NH1-OD1 2.83Å; R589-F614 CarbonylContact C-O 3.56Å; R589-F614 WeakPolarHBondContact CA-O 3.49Å; R589-F614 WeakPolarHBondContact CD-O 3.34Å
590	Y	89.9	Confident	78.7	Confident	66 Å²	66	58.3 Å²	58.3	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.7	176.5	-67.7	-94.6	0	0	0	111.5	E600 N613 F614 K617	Y590-E600 CarbonylContact C-O 3.56Å; Y590-E600 WeakPolarHBondContact CA-O 3.09Å; Y590-N613 CarbonylContact O-C 3.54Å; Y590-N613 WeakPolarHBondContact O-CA 3.42Å; Y590-F614 PolarHBondContact N-O 3.29Å; Y590-F614 WeakPolarHBondContact O-CD2 3.03Å; Y590-F614 PolarHBondContact O-N 3.43Å; Y590-K617 HydrophobicContact CD1-CB 3.82Å; Y590-K617 HydrophobicContact CD1-CG 4.06Å; Y590-K617 HydrophobicContact CE1-CB 3.69Å; Y590-K617 HydrophobicContact CE1-CG 4.09Å; Y590-K617 HydrophobicContact CE2-CB 4.39Å; Y590-K617 HydrophobicContact CG-CB 4.24Å
591	Y	91.2	Very high	79.5	Confident	18 Å²	18	57.4 Å²	57.4	7%	0.071	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.4	170	77.7	-68.8	0	0	0	109.9	R576 N593 C599 E600 L602 N612	R576-Y591 HydrophobicContact CB-CD1 4Å; R576-Y591 HydrophobicContact CB-CD2 3.71Å; R576-Y591 HydrophobicContact CB-CE1 3.87Å; R576-Y591 HydrophobicContact CB-CE2 3.56Å; R576-Y591 HydrophobicContact CB-CG 3.93Å; Y591-N593 HydrophobicContact CD2-CB 4.37Å; Y591-N593 HydrophobicContact CE2-CB 3.63Å; Y591-N593 PolarHBondContact O-N 2.93Å; Y591-C599 CarbonylContact O-C 3.59Å; Y591-C599 VanDerWaalsContact O-CA 3.29Å; Y591-C599 WeakPolarHBondContact O-CA 3.34Å; Y591-E600 HydrophobicContact CD1-CB 4.08Å; Y591-E600 WeakPolarHBondContact CD1-O 3.21Å; Y591-E600 HydrophobicContact CE1-CB 3.49Å; Y591-E600 VanDerWaalsContact CE1-CB 3.49Å; Y591-E600 PolarHBondContact N-O 2.04Å; Y591-E600 PolarHBondContact O-N 2.02Å; Y591-E600 PolarHBondContact OH-OE2 2.89Å; Y591-L602 HydrophobicContact CD1-CB 4.17Å; Y591-L602 HydrophobicContact CD1-CD2 4Å; Y591-L602 HydrophobicContact CG-CD2 4.17Å; Y591-N612 WeakPolarHBondContact CB-O 3.46Å
592	F	92.1	Very high	80.2	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.4	170.9	-174.3	-91.2	0	0	0	109.6	C572 T594 K597 N612 C620 C624 L665 L666	C572-F592 HydrophobicContact CB-CB 4.2Å; C572-F592 HydrophobicContact CB-CD1 4.18Å; C572-F592 HydrophobicContact CB-CG 4.34Å; F592-T594 HydrophobicContact CD1-CG2 4.21Å; F592-T594 HydrophobicContact CE1-CG2 4.29Å; F592-K597 VanDerWaalsContact CE2-O 3.29Å; F592-K597 WeakPolarHBondContact CE2-O 3.27Å; F592-K597 VanDerWaalsContact CZ-C 3.5Å; F592-K597 HydrophobicContact CZ-CB 4.42Å; F592-K597 WeakPolarHBondContact CZ-O 3.49Å; F592-N612 PolarHBondContact N-OD1 2.73Å; F592-N612 PolarHBondContact O-ND2 2.75Å; F592-C620 PolarHBondContact N-SG 3.17Å; F592-C620 VanDerWaalsContact N-SG 3.44Å; F592-C624 HydrophobicContact CB-CB 3.64Å; F592-C624 WeakPolarHBondContact CB-SG 3Å; F592-C624 HydrophobicContact CD1-CB 4.3Å; F592-C624 HydrophobicContact CD2-CB 3.43Å; F592-C624 VanDerWaalsContact CD2-CB 3.43Å; F592-C624 HydrophobicContact CE2-CB 4.16Å; F592-C624 HydrophobicContact CG-CB 3.51Å; F592-L665 HydrophobicContact CD1-CD2 4.06Å; F592-L665 HydrophobicContact CD1-CG 4.45Å; F592-L665 HydrophobicContact CE1-CD1 4.33Å; F592-L665 HydrophobicContact CE1-CD2 3.74Å; F592-L665 HydrophobicContact CE1-CG 3.81Å; F592-L665 HydrophobicContact CZ-CD2 4.27Å; F592-L665 HydrophobicContact CZ-CG 4.44Å; F592-L666 HydrophobicContact CE2-CD2 4.22Å; F592-L666 HydrophobicContact CZ-CD2 3.69Å
593	N	90.1	Very high	81.7	Confident	27 Å²	27	52 Å²	52	14%	0.144	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	115.2	175.9	179.3	-8.7	0	0	0	109.5	Y591 V595 T596 K597 T598 E600	Y591-N593 HydrophobicContact CD2-CB 4.37Å; Y591-N593 HydrophobicContact CE2-CB 3.63Å; Y591-N593 PolarHBondContact O-N 2.93Å; N593-V595 PolarHBondContact O-N 3.06Å; N593-V595 WeakPolarHBondContact OD1-CB 3.49Å; N593-V595 PolarHBondContact OD1-N 3.11Å; N593-T596 VanDerWaalsContact CB-OG1 3.27Å; N593-T596 WeakPolarHBondContact CB-OG1 3.44Å; N593-T596 VanDerWaalsContact CG-OG1 3.32Å; N593-T596 PolarHBondContact ND2-OG1 3.29Å; N593-T596 PolarHBondContact O-N 3.45Å; N593-K597 WeakPolarHBondContact O-CA 3.47Å; N593-K597 PolarHBondContact O-N 3.36Å; N593-T598 PolarHBondContact N-O 2.75Å; N593-E600 HydrophobicContact CB-CG 4.39Å; N593-E600 WeakPolarHBondContact CB-OE1 3.41Å; N593-E600 VanDerWaalsContact ND2-CD 3.25Å; N593-E600 PolarHBondContact ND2-OE1 3.42Å; N593-E600 PolarHBondContact ND2-OE2 2.83Å
594	T	87.3	Confident	82.6	Confident	54 Å²	54	52.2 Å²	52.2	33%	0.331	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-10.6	-178.5	50.6	0	0	0	0	114.9	C572 F592 K597 L665	C572-T594 WeakPolarHBondContact O-CG2 3.41Å; F592-T594 HydrophobicContact CD1-CG2 4.21Å; F592-T594 HydrophobicContact CE1-CG2 4.29Å; T594-K597 WeakPolarHBondContact O-CD 3.49Å; T594-K597 WeakPolarHBondContact O-CE 3.32Å; T594-K597 PolarHBondContact O-NZ 3.06Å; T594-L665 HydrophobicContact CG2-CD1 3.79Å
595	V	85.1	Confident	83.7	Confident	123 Å²	123	50.7 Å²	50.7	75%	0.745	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-51.2	173.3	-176	0	0	0	0	110.6	N593	N593-V595 PolarHBondContact O-N 3.06Å; N593-V595 WeakPolarHBondContact OD1-CB 3.49Å; N593-V595 PolarHBondContact OD1-N 3.11Å
596	T	87.6	Confident	83.9	Confident	72 Å²	72	50.5 Å²	50.5	44%	0.442	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.1	-177.9	56.7	0	0	0	0	113.7	N593 T598 E600	N593-T596 VanDerWaalsContact CB-OG1 3.27Å; N593-T596 WeakPolarHBondContact CB-OG1 3.44Å; N593-T596 VanDerWaalsContact CG-OG1 3.32Å; N593-T596 PolarHBondContact ND2-OG1 3.29Å; N593-T596 PolarHBondContact O-N 3.45Å; T596-T598 PolarHBondContact O-N 2.84Å; T596-E600 WeakPolarHBondContact CB-OE1 3.4Å; T596-E600 WeakPolarHBondContact CG2-OE1 3.48Å; T596-E600 PolarHBondContact OG1-OE1 3.4Å
597	K	87	Confident	83.7	Confident	75 Å²	75	50 Å²	50	33%	0.326	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	22.8	-180	-51.2	-52.6	-170.2	-174.5	0	114.5	F592 N593 T594 L665 L666	F592-K597 VanDerWaalsContact CE2-O 3.29Å; F592-K597 WeakPolarHBondContact CE2-O 3.27Å; F592-K597 VanDerWaalsContact CZ-C 3.5Å; F592-K597 HydrophobicContact CZ-CB 4.42Å; F592-K597 WeakPolarHBondContact CZ-O 3.49Å; N593-K597 WeakPolarHBondContact O-CA 3.47Å; N593-K597 PolarHBondContact O-N 3.36Å; T594-K597 WeakPolarHBondContact O-CD 3.49Å; T594-K597 WeakPolarHBondContact O-CE 3.32Å; T594-K597 PolarHBondContact O-NZ 3.06Å; K597-L665 WeakPolarHBondContact CE-O 3.31Å; K597-L665 PolarHBondContact NZ-O 3.41Å; K597-L666 HydrophobicContact CB-CD2 4.24Å; K597-L666 WeakPolarHBondContact CE-O 3Å
598	T	88.6	Confident	83.5	Confident	47 Å²	47	50.9 Å²	50.9	29%	0.288	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	171.3	-175.3	-165.1	0	0	0	0	111.7	N593 T596	N593-T598 PolarHBondContact N-O 2.75Å; T596-T598 PolarHBondContact O-N 2.84Å
599	C	90.8	Very high	83.2	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.034	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.8	179.5	-73.5	0	0	0	0	112	Y591 K617 C620 L621	Y591-C599 CarbonylContact O-C 3.59Å; Y591-C599 VanDerWaalsContact O-CA 3.29Å; Y591-C599 WeakPolarHBondContact O-CA 3.34Å; C599-K617 HydrophobicContact CB-CG 4Å; C599-K617 WeakPolarHBondContact O-CE 3.32Å; C599-C620 HydrophobicContact CB-CB 3.66Å; C599-C620 WeakPolarHBondContact CB-SG 2.98Å; C599-C620 WeakPolarHBondContact SG-CB 3.27Å; C599-C620 CovalentContact SG-SG 2.03Å; C599-C620 PolarHBondContact SG-SG 2.83Å; C599-L621 HydrophobicContact CB-CD2 3.78Å; C599-L621 HydrophobicContact CB-CG 3.8Å; C599-L621 PolarHBondContact SG-N 3.12Å
600	E	92.2	Very high	82.7	Confident	59 Å²	59	45.5 Å²	45.5	28%	0.276	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	157.2	178.1	-73.4	166.8	-155.6	0	0	110.2	Y590 Y591 N593 T596	Y590-E600 CarbonylContact C-O 3.56Å; Y590-E600 WeakPolarHBondContact CA-O 3.09Å; Y591-E600 HydrophobicContact CD1-CB 4.08Å; Y591-E600 WeakPolarHBondContact CD1-O 3.21Å; Y591-E600 HydrophobicContact CE1-CB 3.49Å; Y591-E600 VanDerWaalsContact CE1-CB 3.49Å; Y591-E600 PolarHBondContact N-O 2.04Å; Y591-E600 PolarHBondContact O-N 2.02Å; Y591-E600 PolarHBondContact OH-OE2 2.89Å; N593-E600 HydrophobicContact CB-CG 4.39Å; N593-E600 WeakPolarHBondContact CB-OE1 3.41Å; N593-E600 VanDerWaalsContact ND2-CD 3.25Å; N593-E600 PolarHBondContact ND2-OE1 3.42Å; N593-E600 PolarHBondContact ND2-OE2 2.83Å; T596-E600 WeakPolarHBondContact CB-OE1 3.4Å; T596-E600 WeakPolarHBondContact CG2-OE1 3.48Å; T596-E600 PolarHBondContact OG1-OE1 3.4Å
601	S	89.6	Confident	82.2	Confident	72 Å²	72	45.9 Å²	45.9	50%	0.503	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	152.7	177	48.1	0	0	0	0	112.5	R589	R589-S601 CarbonylContact O-C 3.49Å; R589-S601 VanDerWaalsContact O-CA 3.31Å; R589-S601 WeakPolarHBondContact O-CA 3.32Å
602	L	86.3	Confident	82	Confident	9 Å²	9	45 Å²	45	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.5	171.4	75.6	102.6	0	0	0	111	R589 Y591 Y604	R589-L602 HydrophobicContact CB-CD1 4.08Å; R589-L602 HydrophobicContact CB-CD2 4.28Å; R589-L602 HydrophobicContact CB-CG 3.88Å; R589-L602 PolarHBondContact N-O 2.78Å; R589-L602 PolarHBondContact O-N 2.75Å; Y591-L602 HydrophobicContact CD1-CB 4.17Å; Y591-L602 HydrophobicContact CD1-CD2 4Å; Y591-L602 HydrophobicContact CG-CD2 4.17Å; L602-Y604 PolarHBondContact O-N 2.88Å
603	T	86.3	Confident	81.6	Confident	60 Å²	60	46.1 Å²	46.1	37%	0.368	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	100.6	173.4	-55.1	0	0	0	0	108.9	Q578	Q578-T603 WeakPolarHBondContact CB-O 3.35Å; Q578-T603 WeakPolarHBondContact CG-O 3.48Å; Q578-T603 PolarHBondContact NE2-O 3.46Å
604	Y	79.5	Confident	81.3	Confident	24 Å²	24	45.4 Å²	45.4	9%	0.094	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.8	-178.3	178	-116.5	0	0	0	110.9	Q578 S586 L587 R589 L602 G606 C607 G608 N613	Q578-Y604 WeakPolarHBondContact O-CD2 3.33Å; S586-Y604 CarbonylContact C-O 3.39Å; S586-Y604 WeakPolarHBondContact CA-O 3.29Å; S586-Y604 WeakPolarHBondContact CB-O 3.05Å; L587-Y604 HydrophobicContact CB-CD1 4.49Å; L587-Y604 PolarHBondContact N-O 3.16Å; L587-Y604 WeakPolarHBondContact O-CB 3.3Å; L587-Y604 PolarHBondContact O-N 3.26Å; R589-Y604 HydrophobicContact CG-CD1 4.38Å; R589-Y604 HydrophobicContact CG-CG 4.29Å; L602-Y604 PolarHBondContact O-N 2.88Å; Y604-G606 VanDerWaalsContact C-N 3.32Å; Y604-G606 WeakPolarHBondContact CE1-O 3.39Å; Y604-G606 VanDerWaalsContact CZ-O 3.27Å; Y604-G606 PolarHBondContact O-N 2.91Å; Y604-G606 VanDerWaalsContact OH-C 3.26Å; Y604-G606 PolarHBondContact OH-O 2.91Å; Y604-C607 VanDerWaalsContact OH-C 3.31Å; Y604-C607 VanDerWaalsContact OH-CA 3.23Å; Y604-C607 WeakPolarHBondContact OH-CA 3.01Å; Y604-C607 PolarHBondContact OH-N 3.37Å; Y604-G608 PolarHBondContact OH-O 2.7Å; Y604-N613 WeakPolarHBondContact CD2-ND2 3.49Å; Y604-N613 WeakPolarHBondContact CE2-ND2 3.02Å
605	L	76.2	Confident	80.8	Confident	46 Å²	46	46.3 Å²	46.3	24%	0.241	28%	0.284	C	S	.	.			trans	-84.4	-3.2	-169.7	-55.8	-177.7	0	0	0	114.1	Q578 V580 Q581 C582	Q578-L605 HydrophobicContact CB-CD1 4.46Å; Q578-L605 HydrophobicContact CB-CG 4.25Å; Q578-L605 PolarHBondContact O-N 3.23Å; V580-L605 CarbonylContact O-C 3.49Å; Q581-L605 WeakPolarHBondContact CA-O 3.5Å; Q581-L605 HydrophobicContact CB-CB 4.43Å; C582-L605 PolarHBondContact N-O 3.17Å
606	G	57.6	Low	80.7	Confident	25 Å²	25	43.2 Å²	43.2	26%	0.258	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120.7	-39.9	169.1	0	0	0	0	0	114.3	Y604	Y604-G606 VanDerWaalsContact C-N 3.32Å; Y604-G606 WeakPolarHBondContact CE1-O 3.39Å; Y604-G606 VanDerWaalsContact CZ-O 3.27Å; Y604-G606 PolarHBondContact O-N 2.91Å; Y604-G606 VanDerWaalsContact OH-C 3.26Å; Y604-G606 PolarHBondContact OH-O 2.91Å
607	C	63.4	Low	80.6	Confident	51 Å²	51	42.4 Å²	42.4	35%	0.345	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	167.6	179.2	-71.4	0	0	0	0	112.8	G579 V580 C582 Y604 G609	G579-C607 CarbonylContact C-O 3.48Å; G579-C607 VanDerWaalsContact CA-O 3.3Å; G579-C607 WeakPolarHBondContact CA-O 3.3Å; V580-C607 HydrophobicContact CG2-CB 4.01Å; V580-C607 PolarHBondContact N-O 2.04Å; V580-C607 PolarHBondContact O-N 3.36Å; V580-C607 VanDerWaalsContact O-N 3.15Å; C582-C607 HydrophobicContact CB-CB 3.52Å; C582-C607 WeakPolarHBondContact CB-SG 3.31Å; C582-C607 WeakPolarHBondContact SG-CB 3.35Å; C582-C607 PolarHBondContact SG-N 2.64Å; C582-C607 CovalentContact SG-SG 2.02Å; C582-C607 PolarHBondContact SG-SG 2.97Å; Y604-C607 VanDerWaalsContact OH-C 3.31Å; Y604-C607 VanDerWaalsContact OH-CA 3.23Å; Y604-C607 WeakPolarHBondContact OH-CA 3.01Å; Y604-C607 PolarHBondContact OH-N 3.37Å; C607-G609 PolarHBondContact O-N 3.19Å
608	G	70.1	Confident	80.4	Confident	57 Å²	57	42.5 Å²	42.5	59%	0.588	26%	0.257	S	S	*	.			trans	65	-129.7	-177.4	0	0	0	0	0	110.3	Y604	Y604-G608 PolarHBondContact OH-O 2.7Å
609	G	71.8	Confident	80.1	Confident	24 Å²	24	42.8 Å²	42.8	25%	0.247	25%	0.254	C	S	.	.			trans	70.1	-166.7	-172.2	0	0	0	0	0	111.2	D577 C607	D577-G609 VanDerWaalsContact CG-CA 3.44Å; D577-G609 VanDerWaalsContact OD2-CA 3.29Å; D577-G609 WeakPolarHBondContact OD2-CA 3.42Å; C607-G609 PolarHBondContact O-N 3.19Å
610	N	75.2	Confident	80	Confident	40 Å²	40	42.6 Å²	42.6	21%	0.214	25%	0.252	C	S	.	.			trans	-129	-178.7	169.4	78.3	54.2	0	0	0	111.3	L574 S575 D577 N612 N613	L574-N610 WeakPolarHBondContact CB-OD1 2.91Å; L574-N610 HydrophobicContact CD1-CB 3.95Å; S575-N610 PolarHBondContact O-ND2 2.03Å; D577-N610 HydrophobicContact CB-CB 4.33Å; D577-N610 WeakPolarHBondContact CB-ND2 3.29Å; D577-N610 PolarHBondContact OD2-N 3.23Å; N610-N612 VanDerWaalsContact C-N 3.3Å; N610-N612 PolarHBondContact O-N 3.3Å; N610-N612 WeakPolarHBondContact OD1-CB 3.49Å; N610-N612 PolarHBondContact OD1-N 2.81Å; N610-N613 WeakPolarHBondContact O-CB 3.28Å
611	R	79.1	Confident	79.9	Confident	74 Å²	74	39.8 Å²	39.8	28%	0.279	24%	0.239	S	C	.	.	S	Bend	trans	-77.1	-8.6	-171.7	-71.4	-177	-125.7	-170.4	3.9	115.1	G521 E523 I571 L574 N613	G521-R611 PolarHBondContact O-NH1 3.42Å; E523-R611 VanDerWaalsContact O-CZ 3.24Å; E523-R611 PolarHBondContact O-NH1 3.36Å; E523-R611 PolarHBondContact O-NH2 2.98Å; I571-R611 HydrophobicContact CB-CB 4.41Å; I571-R611 HydrophobicContact CG1-CB 4.1Å; I571-R611 HydrophobicContact CG2-CB 3.66Å; I571-R611 WeakPolarHBondContact CG2-O 3.36Å; L574-R611 HydrophobicContact CD1-CB 4.45Å; R611-N613 PolarHBondContact O-N 2.85Å
612	N	86.1	Confident	79.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.217	C	C	.	.			trans	-77.6	63.5	171.4	-156.2	0.6	0	0	0	109.3	I571 C572 L574 Y591 F592 N610 F614	I571-N612 WeakPolarHBondContact O-CB 3.06Å; C572-N612 PolarHBondContact O-ND2 3.24Å; L574-N612 HydrophobicContact CB-CB 4.19Å; L574-N612 PolarHBondContact O-ND2 2.81Å; Y591-N612 WeakPolarHBondContact CB-O 3.46Å; F592-N612 PolarHBondContact N-OD1 2.73Å; F592-N612 PolarHBondContact O-ND2 2.75Å; N610-N612 VanDerWaalsContact C-N 3.3Å; N610-N612 PolarHBondContact O-N 3.3Å; N610-N612 WeakPolarHBondContact OD1-CB 3.49Å; N610-N612 PolarHBondContact OD1-N 2.81Å; N612-F614 WeakPolarHBondContact OD1-CE2 3.48Å
613	N	84.4	Confident	79.8	Confident	24 Å²	24	36.5 Å²	36.5	13%	0.128	22%	0.216	C	C	.	.			trans	-157.6	87	-162.7	-173.3	-28.7	0	0	0	110.2	R589 Y590 Y604 N610 R611	R589-N613 VanDerWaalsContact CB-OD1 3.31Å; R589-N613 WeakPolarHBondContact CB-OD1 3.47Å; R589-N613 WeakPolarHBondContact CD-OD1 3.5Å; R589-N613 WeakPolarHBondContact CG-OD1 3.48Å; R589-N613 PolarHBondContact NH1-OD1 2.83Å; Y590-N613 CarbonylContact O-C 3.54Å; Y590-N613 WeakPolarHBondContact O-CA 3.42Å; Y604-N613 WeakPolarHBondContact CD2-ND2 3.49Å; Y604-N613 WeakPolarHBondContact CE2-ND2 3.02Å; N610-N613 WeakPolarHBondContact O-CB 3.28Å; R611-N613 PolarHBondContact O-N 2.85Å
614	F	84.1	Confident	80	Confident	13 Å²	13	33.6 Å²	33.6	6%	0.057	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-107.6	153.4	-172.3	-56.7	-87.2	0	0	0	111.5	I571 R589 Y590 N612 C620 Y623 C624 L692	I571-F614 HydrophobicContact CG2-CZ 4.4Å; R589-F614 CarbonylContact C-O 3.56Å; R589-F614 WeakPolarHBondContact CA-O 3.49Å; R589-F614 WeakPolarHBondContact CD-O 3.34Å; Y590-F614 PolarHBondContact N-O 3.29Å; Y590-F614 WeakPolarHBondContact O-CD2 3.03Å; Y590-F614 PolarHBondContact O-N 3.43Å; N612-F614 WeakPolarHBondContact OD1-CE2 3.48Å; F614-C620 HydrophobicContact CB-CB 3.69Å; F614-C620 HydrophobicContact CD2-CB 3.53Å; F614-C620 VanDerWaalsContact CD2-SG 3.53Å; F614-C620 HydrophobicContact CE2-CB 4.34Å; F614-C620 VanDerWaalsContact CG-CA 3.46Å; F614-C620 HydrophobicContact CG-CB 3.69Å; F614-Y623 AromaticContact CE1-CD1 3.57Å; F614-Y623 HydrophobicContact CE1-CD1 3.57Å; F614-Y623 HydrophobicContact CE1-CE1 4.37Å; F614-Y623 AromaticContact CE1-CG 3.8Å; F614-Y623 HydrophobicContact CE1-CG 3.8Å; F614-Y623 AromaticContact CZ-CD1 3.52Å; F614-Y623 HydrophobicContact CZ-CD1 3.52Å; F614-Y623 HydrophobicContact CZ-CE1 4.25Å; F614-Y623 HydrophobicContact CZ-CG 4.18Å; F614-C624 VanDerWaalsContact CZ-SG 3.59Å; F614-L692 HydrophobicContact CD1-CD1 3.95Å; F614-L692 HydrophobicContact CE1-CD1 4.25Å
615	P	76.8	Confident	80.5	Confident	73 Å²	73	33 Å²	33	47%	0.474	20%	0.196	S	C	.	.	S	Bend	trans	-75.1	-23.4	-177.6	30	-35.7	0	0	0	114.1	K619	P615-K619 HydrophobicContact CG-CB 4.47Å; P615-K619 HydrophobicContact CG-CD 4.04Å
616	T	81.4	Confident	81.2	Confident	57 Å²	57	30.9 Å²	30.9	35%	0.35	19%	0.186	S	C	.	.	S	Bend	trans	-141	157.5	179.4	66.6	0	0	0	0	111	E618 K619 C620	T616-E618 PolarHBondContact O-N 2.97Å; T616-K619 PolarHBondContact O-N 2.95Å; T616-K619 WeakPolarHBondContact OG1-CB 3.36Å; T616-K619 WeakPolarHBondContact OG1-CG 3.49Å; T616-K619 PolarHBondContact OG1-N 3.07Å; T616-K619 VanDerWaalsContact OG1-N 3.12Å; T616-C620 WeakPolarHBondContact O-CB 3.42Å; T616-C620 PolarHBondContact O-N 2.87Å
617	K	85.5	Confident	82.5	Confident	56 Å²	56	30.2 Å²	30.2	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-56.8	-39.8	173.8	-164	-175.2	-176	-177	0	110.7	Y590 C599 C620 L621	Y590-K617 HydrophobicContact CD1-CB 3.82Å; Y590-K617 HydrophobicContact CD1-CG 4.06Å; Y590-K617 HydrophobicContact CE1-CB 3.69Å; Y590-K617 HydrophobicContact CE1-CG 4.09Å; Y590-K617 HydrophobicContact CE2-CB 4.39Å; Y590-K617 HydrophobicContact CG-CB 4.24Å; C599-K617 HydrophobicContact CB-CG 4Å; C599-K617 WeakPolarHBondContact O-CE 3.32Å; K617-C620 WeakPolarHBondContact O-CB 3.12Å; K617-C620 PolarHBondContact O-N 2.71Å; K617-L621 HydrophobicContact CD-CD1 4.38Å; K617-L621 HydrophobicContact CG-CD1 3.96Å; K617-L621 HydrophobicContact CG-CG 4.38Å; K617-L621 WeakPolarHBondContact O-CB 3.47Å; K617-L621 VanDerWaalsContact O-CG 3.28Å; K617-L621 WeakPolarHBondContact O-CG 3.41Å; K617-L621 PolarHBondContact O-N 3.07Å
618	E	83.6	Confident	83.6	Confident	76 Å²	76	29.6 Å²	29.6	36%	0.355	17%	0.171	S	C	.	.	H	α-helix	trans	-64.8	-50.5	-179.5	-177	59.5	-175.1	0	0	112.5	T616 C620 L621 S622 R637	T616-E618 PolarHBondContact O-N 2.97Å; E618-C620 PolarHBondContact O-N 3.02Å; E618-L621 PolarHBondContact O-N 3.38Å; E618-L621 VanDerWaalsContact O-N 3.12Å; E618-S622 WeakPolarHBondContact O-CB 3.19Å; E618-S622 PolarHBondContact O-N 2.69Å; E618-S622 PolarHBondContact O-OG 3.23Å; E618-S622 VanDerWaalsContact O-OG 3.11Å; E618-R637 IonicContact OE1-CZ 3.86Å; E618-R637 IonicContact OE1-NH1 2.67Å; E618-R637 PolarHBondContact OE1-NH1 2.86Å; E618-R637 IonicContact OE2-CZ 2.62Å; E618-R637 IonicContact OE2-NH1 3.62Å; E618-R637 PolarHBondContact OE2-NH1 3.04Å
619	K	82.6	Confident	84.3	Confident	54 Å²	54	27.4 Å²	27.4	24%	0.235	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-25.4	178	-69.7	175.7	175.6	165.9	0	112.4	E416 P615 T616 S622 Y623 L692	E416-K619 IonicContact OE1-NZ 3.41Å; E416-K619 PolarHBondContact OE1-NZ 3.21Å; P615-K619 HydrophobicContact CG-CB 4.47Å; P615-K619 HydrophobicContact CG-CD 4.04Å; T616-K619 PolarHBondContact O-N 2.95Å; T616-K619 WeakPolarHBondContact OG1-CB 3.36Å; T616-K619 WeakPolarHBondContact OG1-CG 3.49Å; T616-K619 PolarHBondContact OG1-N 3.07Å; T616-K619 VanDerWaalsContact OG1-N 3.12Å; K619-S622 WeakPolarHBondContact CA-OG 3.03Å; K619-S622 PolarHBondContact O-OG 3.09Å; K619-Y623 WeakPolarHBondContact O-CB 3.3Å; K619-L692 HydrophobicContact CB-CD1 4.03Å
620	C	88.9	Confident	84.7	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.2	-51.6	168.8	179	0	0	0	0	112	F592 C599 F614 T616 K617 E618 C624	F592-C620 PolarHBondContact N-SG 3.17Å; F592-C620 VanDerWaalsContact N-SG 3.44Å; C599-C620 HydrophobicContact CB-CB 3.66Å; C599-C620 WeakPolarHBondContact CB-SG 2.98Å; C599-C620 WeakPolarHBondContact SG-CB 3.27Å; C599-C620 CovalentContact SG-SG 2.03Å; C599-C620 PolarHBondContact SG-SG 2.83Å; F614-C620 HydrophobicContact CB-CB 3.69Å; F614-C620 HydrophobicContact CD2-CB 3.53Å; F614-C620 VanDerWaalsContact CD2-SG 3.53Å; F614-C620 HydrophobicContact CE2-CB 4.34Å; F614-C620 VanDerWaalsContact CG-CA 3.46Å; F614-C620 HydrophobicContact CG-CB 3.69Å; T616-C620 WeakPolarHBondContact O-CB 3.42Å; T616-C620 PolarHBondContact O-N 2.87Å; K617-C620 WeakPolarHBondContact O-CB 3.12Å; K617-C620 PolarHBondContact O-N 2.71Å; E618-C620 PolarHBondContact O-N 3.02Å; C620-C624 VanDerWaalsContact O-CB 3.28Å; C620-C624 WeakPolarHBondContact O-CB 3.35Å; C620-C624 PolarHBondContact O-N 3.05Å
621	L	89.4	Confident	84.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-42.6	-176.4	-69.8	168.1	0	0	0	110.8	C599 K617 E618 Y623 C624 Q625 R637 Y642	C599-L621 HydrophobicContact CB-CD2 3.78Å; C599-L621 HydrophobicContact CB-CG 3.8Å; C599-L621 PolarHBondContact SG-N 3.12Å; K617-L621 HydrophobicContact CD-CD1 4.38Å; K617-L621 HydrophobicContact CG-CD1 3.96Å; K617-L621 HydrophobicContact CG-CG 4.38Å; K617-L621 WeakPolarHBondContact O-CB 3.47Å; K617-L621 VanDerWaalsContact O-CG 3.28Å; K617-L621 WeakPolarHBondContact O-CG 3.41Å; K617-L621 PolarHBondContact O-N 3.07Å; E618-L621 PolarHBondContact O-N 3.38Å; E618-L621 VanDerWaalsContact O-N 3.12Å; L621-Y623 VanDerWaalsContact C-N 3.34Å; L621-Y623 PolarHBondContact O-N 3.07Å; L621-C624 PolarHBondContact O-N 2.79Å; L621-Q625 HydrophobicContact CD2-CG 4.5Å; L621-Q625 WeakPolarHBondContact O-CB 3.41Å; L621-Q625 WeakPolarHBondContact O-CG 3.33Å; L621-Q625 PolarHBondContact O-N 3.16Å; L621-R637 PolarHBondContact O-NH2 3.24Å; L621-Y642 HydrophobicContact CD1-CD1 3.36Å; L621-Y642 HydrophobicContact CD1-CE1 4.06Å; L621-Y642 HydrophobicContact CD1-CG 3.85Å
622	S	85.1	Confident	84	Confident	4 Å²	4	28.3 Å²	28.3	3%	0.028	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-45.5	-176.8	55.9	0	0	0	0	110.8	E618 K619 S626 R637 A691 L692	E618-S622 WeakPolarHBondContact O-CB 3.19Å; E618-S622 PolarHBondContact O-N 2.69Å; E618-S622 PolarHBondContact O-OG 3.23Å; E618-S622 VanDerWaalsContact O-OG 3.11Å; K619-S622 WeakPolarHBondContact CA-OG 3.03Å; K619-S622 PolarHBondContact O-OG 3.09Å; S622-S626 WeakPolarHBondContact O-CB 2.97Å; S622-S626 PolarHBondContact O-N 3.04Å; S622-S626 PolarHBondContact O-OG 2.84Å; S622-R637 VanDerWaalsContact CA-NH2 3.3Å; S622-A691 CarbonylContact C-O 3.56Å; S622-A691 VanDerWaalsContact CB-O 3.27Å; S622-A691 WeakPolarHBondContact CB-O 3.41Å; S622-A691 PolarHBondContact OG-O 3.11Å; S622-A691 VanDerWaalsContact OG-O 3.06Å; S622-L692 PolarHBondContact OG-O 2.98Å
623	Y	88.1	Confident	84	Confident	8 Å²	8	29.7 Å²	29.7	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-68.2	-46.3	178.7	-170.1	-96.9	0	0	0	112.2	E520 R568 I571 F614 K619 L621 A691 L692	E520-Y623 HydrophobicContact CB-CE2 4.07Å; E520-Y623 WeakPolarHBondContact OE2-CE2 3.28Å; E520-Y623 PolarHBondContact OE2-OH 2.72Å; R568-Y623 HydrophobicContact CB-CE1 4.06Å; R568-Y623 HydrophobicContact CG-CE1 4.15Å; R568-Y623 HydrophobicContact CG-CE2 3.95Å; R568-Y623 WeakPolarHBondContact CG-OH 3.17Å; I571-Y623 HydrophobicContact CB-CE1 4.24Å; I571-Y623 HydrophobicContact CD1-CE1 4.39Å; I571-Y623 WeakPolarHBondContact CD1-OH 3.36Å; I571-Y623 HydrophobicContact CG2-CE1 3.93Å; F614-Y623 AromaticContact CE1-CD1 3.57Å; F614-Y623 HydrophobicContact CE1-CD1 3.57Å; F614-Y623 HydrophobicContact CE1-CE1 4.37Å; F614-Y623 AromaticContact CE1-CG 3.8Å; F614-Y623 HydrophobicContact CE1-CG 3.8Å; F614-Y623 AromaticContact CZ-CD1 3.52Å; F614-Y623 HydrophobicContact CZ-CD1 3.52Å; F614-Y623 HydrophobicContact CZ-CE1 4.25Å; F614-Y623 HydrophobicContact CZ-CG 4.18Å; K619-Y623 WeakPolarHBondContact O-CB 3.3Å; L621-Y623 VanDerWaalsContact C-N 3.34Å; L621-Y623 PolarHBondContact O-N 3.07Å; Y623-A691 WeakPolarHBondContact CA-O 2.99Å; Y623-A691 HydrophobicContact CD2-CB 4.2Å; Y623-A691 PolarHBondContact N-O 3.5Å; Y623-L692 HydrophobicContact CD2-CB 4.37Å
624	C	91	Very high	84.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-87.5	-25.8	-171.7	-66.8	0	0	0	0	115.6	C572 F592 F614 C620 L621 A627 L665	C572-C624 HydrophobicContact CB-CB 3.63Å; C572-C624 WeakPolarHBondContact CB-SG 3.29Å; C572-C624 WeakPolarHBondContact SG-CA 3.39Å; C572-C624 WeakPolarHBondContact SG-CB 3.5Å; C572-C624 CovalentContact SG-SG 2.03Å; C572-C624 PolarHBondContact SG-SG 2.82Å; F592-C624 HydrophobicContact CB-CB 3.64Å; F592-C624 WeakPolarHBondContact CB-SG 3Å; F592-C624 HydrophobicContact CD1-CB 4.3Å; F592-C624 HydrophobicContact CD2-CB 3.43Å; F592-C624 VanDerWaalsContact CD2-CB 3.43Å; F592-C624 HydrophobicContact CE2-CB 4.16Å; F592-C624 HydrophobicContact CG-CB 3.51Å; F614-C624 VanDerWaalsContact CZ-SG 3.59Å; C620-C624 VanDerWaalsContact O-CB 3.28Å; C620-C624 WeakPolarHBondContact O-CB 3.35Å; C620-C624 PolarHBondContact O-N 3.05Å; L621-C624 PolarHBondContact O-N 2.79Å; C624-A627 WeakPolarHBondContact O-CB 3.34Å; C624-L665 WeakPolarHBondContact O-CD2 3.33Å
625	Q	90.7	Very high	84.4	Confident	11 Å²	11	28.2 Å²	28.2	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-74.7	-32.7	169	-69.3	175.1	-33.1	0	0	111.1	L621 A627 A635 Y642 L644	L621-Q625 HydrophobicContact CD2-CG 4.5Å; L621-Q625 WeakPolarHBondContact O-CB 3.41Å; L621-Q625 WeakPolarHBondContact O-CG 3.33Å; L621-Q625 PolarHBondContact O-N 3.16Å; Q625-A627 PolarHBondContact O-N 2.82Å; Q625-A627 VanDerWaalsContact O-N 3.15Å; Q625-A635 HydrophobicContact CB-CB 4.4Å; Q625-Y642 PolarHBondContact NE2-O 2.68Å; Q625-L644 HydrophobicContact CB-CD1 3.78Å; Q625-L644 HydrophobicContact CB-CD2 3.92Å; Q625-L644 HydrophobicContact CB-CG 4.3Å; Q625-L644 HydrophobicContact CG-CD1 3.88Å; Q625-L644 HydrophobicContact CG-CD2 4.28Å; Q625-L644 HydrophobicContact CG-CG 4.29Å
626	S	89.4	Confident	84.9	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	18	173.3	-50.2	0	0	0	0	113.8	R568 S622 C629 V634 A635	R568-S626 VanDerWaalsContact CD-O 3.28Å; R568-S626 WeakPolarHBondContact CD-O 3.28Å; R568-S626 PolarHBondContact NH1-O 3.07Å; S622-S626 WeakPolarHBondContact O-CB 2.97Å; S622-S626 PolarHBondContact O-N 3.04Å; S622-S626 PolarHBondContact O-OG 2.84Å; S626-C629 PolarHBondContact O-N 3.4Å; S626-V634 WeakPolarHBondContact OG-CA 3.41Å; S626-A635 PolarHBondContact OG-N 2.99Å
627	A	86.4	Confident	85.1	Confident	10 Å²	10	25.2 Å²	25.2	8%	0.083	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.8	-165.8	0	0	0	0	0	115.6	R568 A569 C624 Q625 L665	R568-A627 HydrophobicContact CB-CB 3.77Å; A569-A627 HydrophobicContact CB-CB 4.23Å; C624-A627 WeakPolarHBondContact O-CB 3.34Å; Q625-A627 PolarHBondContact O-N 2.82Å; Q625-A627 VanDerWaalsContact O-N 3.15Å; A627-L665 HydrophobicContact CB-CD2 3.63Å
628	D	85.7	Confident	84.7	Confident	39 Å²	39	27 Å²	27	21%	0.209	14%	0.138	C	C	.	.	S	Bend	trans	-103	-1.2	172.3	-66.8	-76.9	0	0	0	112.4	S663 K664 L665	D628-S663 VanDerWaalsContact OD2-CA 3.25Å; D628-S663 WeakPolarHBondContact OD2-CA 3.46Å; D628-S663 WeakPolarHBondContact OD2-CB 3.48Å; D628-S663 PolarHBondContact OD2-OG 3.28Å; D628-K664 VanDerWaalsContact CG-N 3.34Å; D628-K664 PolarHBondContact OD2-N 3.26Å; D628-L665 WeakPolarHBondContact OD2-CB 3.23Å; D628-L665 PolarHBondContact OD2-N 3.18Å
629	C	84.8	Confident	83.6	Confident	10 Å²	10	31.7 Å²	31.7	7%	0.068	16%	0.16	C	C	.	.	S	Bend	trans	-69.9	146.1	172.5	-63.2	0	0	0	0	110.6	S626 Q633 C672	S626-C629 PolarHBondContact O-N 3.4Å; C629-Q633 HydrophobicContact CB-CB 4.21Å; C629-C672 WeakPolarHBondContact CA-SG 3.29Å; C629-C672 HydrophobicContact CB-CB 3.69Å; C629-C672 WeakPolarHBondContact CB-SG 3.38Å; C629-C672 WeakPolarHBondContact SG-CB 3.41Å; C629-C672 CovalentContact SG-SG 2.04Å; C629-C672 PolarHBondContact SG-SG 3.01Å
630	P	79.6	Confident	82.2	Confident	59 Å²	59	36.9 Å²	36.9	38%	0.383	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-49.7	156	170.5	-30.3	35.4	0	0	0	114.1	G632 Q633 I661	P630-G632 PolarHBondContact O-N 3.22Å; P630-Q633 HydrophobicContact CB-CB 4.41Å; P630-Q633 HydrophobicContact CB-CG 4.34Å; P630-Q633 VanDerWaalsContact CD-OE1 3.31Å; P630-Q633 WeakPolarHBondContact O-CB 3.46Å; P630-Q633 PolarHBondContact O-N 3.14Å; P630-I661 HydrophobicContact CG-CD1 3.8Å
631	L	68.9	Low	81.1	Confident	97 Å²	97	38.3 Å²	38.3	51%	0.508	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	133.4	173.3	-67.4	177.7	0	0	0	110.3	I548 Q633 Y688	I548-L631 HydrophobicContact CD1-CD1 3.98Å; L631-Q633 VanDerWaalsContact C-N 3.27Å; L631-Q633 PolarHBondContact O-N 3.17Å; L631-Y688 HydrophobicContact CB-CE2 4.38Å
632	G	72.1	Confident	80.2	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	0.1	-173.1	0	0	0	0	0	115.1	P630 M689	P630-G632 PolarHBondContact O-N 3.22Å; G632-M689 WeakPolarHBondContact O-CB 3.44Å; G632-M689 PolarHBondContact O-N 3.23Å
633	Q	86.1	Confident	79.9	Confident	29 Å²	29	48.4 Å²	48.4	14%	0.136	25%	0.245	C	C	.	.			trans	-110.5	155.3	171.6	-67.9	-173.5	-11.1	0	0	112.4	R568 C629 P630 L631 G673	R568-Q633 PolarHBondContact NH1-O 2.94Å; C629-Q633 HydrophobicContact CB-CB 4.21Å; P630-Q633 HydrophobicContact CB-CB 4.41Å; P630-Q633 HydrophobicContact CB-CG 4.34Å; P630-Q633 VanDerWaalsContact CD-OE1 3.31Å; P630-Q633 WeakPolarHBondContact O-CB 3.46Å; P630-Q633 PolarHBondContact O-N 3.14Å; L631-Q633 VanDerWaalsContact C-N 3.27Å; L631-Q633 PolarHBondContact O-N 3.17Å; Q633-G673 WeakPolarHBondContact CA-O 3.28Å
634	V	87.6	Confident	79.6	Confident	1 Å²	1	49 Å²	49	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.8	179.3	-73.7	0	0	0	0	111	S626 C672 G673 M689 A691 N694	S626-V634 WeakPolarHBondContact OG-CA 3.41Å; V634-C672 WeakPolarHBondContact O-CA 3.42Å; V634-G673 WeakPolarHBondContact CG2-O 3.27Å; V634-G673 PolarHBondContact N-O 3.23Å; V634-G673 PolarHBondContact O-N 3.14Å; V634-M689 HydrophobicContact CB-CB 4.44Å; V634-M689 HydrophobicContact CG1-CB 3.75Å; V634-M689 HydrophobicContact CG2-CB 3.93Å; V634-M689 HydrophobicContact CG2-CE 4.46Å; V634-M689 HydrophobicContact CG2-CG 4.04Å; V634-A691 HydrophobicContact CG1-CB 4.28Å; V634-N694 WeakPolarHBondContact CG2-OD1 3.22Å
635	A	89.2	Confident	79.4	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.033	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.6	178.6	0	0	0	0	0	111.3	Q625 S626 L644 I670 C671	Q625-A635 HydrophobicContact CB-CB 4.4Å; S626-A635 PolarHBondContact OG-N 2.99Å; A635-L644 HydrophobicContact CB-CD2 3.81Å; A635-I670 HydrophobicContact CB-CD1 3.92Å; A635-C671 WeakPolarHBondContact CA-O 3.09Å
636	L	87.7	Confident	79.1	Confident	32 Å²	32	53.6 Å²	53.6	17%	0.168	28%	0.28	C	S	.	.			trans	-69	137.4	-179.2	-174.8	59	0	0	0	111.8	L644 V645 P655 Y658 C671	L636-L644 WeakPolarHBondContact O-CA 3.42Å; L636-L644 WeakPolarHBondContact O-CD2 3.41Å; L636-V645 HydrophobicContact CB-CB 4.18Å; L636-V645 HydrophobicContact CB-CG2 4.42Å; L636-V645 HydrophobicContact CD2-CB 3.83Å; L636-V645 HydrophobicContact CD2-CG1 4.06Å; L636-V645 HydrophobicContact CD2-CG2 3.84Å; L636-V645 HydrophobicContact CG-CB 3.92Å; L636-V645 HydrophobicContact CG-CG2 3.71Å; L636-V645 PolarHBondContact O-N 2.81Å; L636-P655 HydrophobicContact CD2-CG 3.67Å; L636-Y658 HydrophobicContact CB-CD1 3.75Å; L636-Y658 HydrophobicContact CB-CE1 3.58Å; L636-Y658 HydrophobicContact CD1-CE1 3.98Å; L636-Y658 HydrophobicContact CD1-CE2 4.31Å; L636-Y658 HydrophobicContact CD2-CD1 4.29Å; L636-Y658 HydrophobicContact CD2-CE1 4.47Å; L636-Y658 HydrophobicContact CD2-CG 4.38Å; L636-Y658 HydrophobicContact CG-CD1 4.43Å; L636-Y658 HydrophobicContact CG-CE1 4.2Å; L636-C671 HydrophobicContact CB-CB 3.89Å; L636-C671 HydrophobicContact CD2-CB 4.14Å; L636-C671 PolarHBondContact N-O 3.34Å
637	R	84.6	Confident	79	Confident	36 Å²	36	54.4 Å²	54.4	14%	0.136	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-114.6	154.4	177.5	-69	169.8	-179.1	-151.4	-13.6	112	E618 L621 S622 N643 L644	E618-R637 IonicContact OE1-CZ 3.86Å; E618-R637 IonicContact OE1-NH1 2.67Å; E618-R637 PolarHBondContact OE1-NH1 2.86Å; E618-R637 IonicContact OE2-CZ 2.62Å; E618-R637 IonicContact OE2-NH1 3.62Å; E618-R637 PolarHBondContact OE2-NH1 3.04Å; L621-R637 PolarHBondContact O-NH2 3.24Å; S622-R637 VanDerWaalsContact CA-NH2 3.3Å; R637-N643 WeakPolarHBondContact CA-O 3.47Å; R637-L644 HydrophobicContact CG-CD2 3.98Å
638	E	76.6	Confident	78.6	Confident	92 Å²	92	56 Å²	56	43%	0.43	30%	0.296	S	S	.	.			trans	-62.3	144.3	159.4	-74.1	169.5	-173.3	0	0	110.3	N640 S641 N643	E638-N640 PolarHBondContact O-N 3.07Å; E638-S641 VanDerWaalsContact CB-CB 3.5Å; E638-S641 PolarHBondContact O-N 3.17Å; E638-S641 VanDerWaalsContact O-N 3.11Å; E638-S641 PolarHBondContact OE2-OG 3.12Å; E638-N643 HydrophobicContact CG-CB 4.38Å; E638-N643 PolarHBondContact N-O 2.77Å; E638-N643 VanDerWaalsContact OE2-CB 3.28Å; E638-N643 WeakPolarHBondContact OE2-CB 3.18Å; E638-N643 PolarHBondContact OE2-ND2 2.04Å
639	H	60.4	Low	77.7	Confident	176 Å²	176	62.3 Å²	62.3	82%	0.815	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	129.3	-177.1	-151.7	-63.7	0	0	0	110.9	S641	H639-S641 PolarHBondContact O-N 3.24Å
640	N	54.9	Low	76.5	Confident	163 Å²	163	66.8 Å²	66.8	87%	0.872	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	22.8	-174.4	-57.1	-8.5	0	0	0	115.1	E638	E638-N640 PolarHBondContact O-N 3.07Å
641	S	65.2	Low	75.5	Confident	30 Å²	30	66.6 Å²	66.6	21%	0.21	35%	0.349	C	S	.	.			trans	-127.6	150.8	-176	165.4	0	0	0	0	111.6	E638 H639 N643	E638-S641 VanDerWaalsContact CB-CB 3.5Å; E638-S641 PolarHBondContact O-N 3.17Å; E638-S641 VanDerWaalsContact O-N 3.11Å; E638-S641 PolarHBondContact OE2-OG 3.12Å; H639-S641 PolarHBondContact O-N 3.24Å; S641-N643 VanDerWaalsContact C-N 3.29Å; S641-N643 WeakPolarHBondContact OG-CB 3.44Å; S641-N643 PolarHBondContact OG-N 3.08Å; S641-N643 VanDerWaalsContact OG-N 3.17Å; S641-N643 PolarHBondContact OG-ND2 2.84Å
642	Y	70.5	Confident	74.8	Confident	123 Å²	123	69.7 Å²	69.7	48%	0.482	37%	0.366	S	S	.	.	S	Bend	trans	-85.8	-3.1	176.1	-59.8	-62.6	0	0	0	112.9	L621 Q625	L621-Y642 HydrophobicContact CD1-CD1 3.36Å; L621-Y642 HydrophobicContact CD1-CE1 4.06Å; L621-Y642 HydrophobicContact CD1-CG 3.85Å; Q625-Y642 PolarHBondContact NE2-O 2.68Å
643	N	77.3	Confident	75	Confident	92 Å²	92	74 Å²	74	49%	0.492	39%	0.391	S	S	.	.			trans	-78	152.3	178	-56.6	-25.8	0	0	0	111	R637 E638 S641	R637-N643 WeakPolarHBondContact CA-O 3.47Å; E638-N643 HydrophobicContact CG-CB 4.38Å; E638-N643 PolarHBondContact N-O 2.77Å; E638-N643 VanDerWaalsContact OE2-CB 3.28Å; E638-N643 WeakPolarHBondContact OE2-CB 3.18Å; E638-N643 PolarHBondContact OE2-ND2 2.04Å; S641-N643 VanDerWaalsContact C-N 3.29Å; S641-N643 WeakPolarHBondContact OG-CB 3.44Å; S641-N643 PolarHBondContact OG-N 3.08Å; S641-N643 VanDerWaalsContact OG-N 3.17Å; S641-N643 PolarHBondContact OG-ND2 2.84Å
644	L	83.6	Confident	74.7	Confident	22 Å²	22	73.6 Å²	73.6	12%	0.115	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-99.5	140.6	176.5	-63.2	173.8	0	0	0	111.2	Q625 A635 L636 R637 S646 L666 I670	Q625-L644 HydrophobicContact CB-CD1 3.78Å; Q625-L644 HydrophobicContact CB-CD2 3.92Å; Q625-L644 HydrophobicContact CB-CG 4.3Å; Q625-L644 HydrophobicContact CG-CD1 3.88Å; Q625-L644 HydrophobicContact CG-CD2 4.28Å; Q625-L644 HydrophobicContact CG-CG 4.29Å; A635-L644 HydrophobicContact CB-CD2 3.81Å; L636-L644 WeakPolarHBondContact O-CA 3.42Å; L636-L644 WeakPolarHBondContact O-CD2 3.41Å; R637-L644 HydrophobicContact CG-CD2 3.98Å; L644-S646 PolarHBondContact O-N 3.04Å; L644-S646 PolarHBondContact O-OG 3.27Å; L644-L666 HydrophobicContact CD1-CD1 3.36Å; L644-I670 HydrophobicContact CB-CG2 4.32Å; L644-I670 HydrophobicContact CD1-CG2 3.95Å
645	V	85.5	Confident	74.3	Confident	37 Å²	37	76.7 Å²	76.7	22%	0.224	41%	0.412	C	S	.	.			trans	-67.9	104.4	169	179.7	0	0	0	0	108	L636 C671	L636-V645 HydrophobicContact CB-CB 4.18Å; L636-V645 HydrophobicContact CB-CG2 4.42Å; L636-V645 HydrophobicContact CD2-CB 3.83Å; L636-V645 HydrophobicContact CD2-CG1 4.06Å; L636-V645 HydrophobicContact CD2-CG2 3.84Å; L636-V645 HydrophobicContact CG-CB 3.92Å; L636-V645 HydrophobicContact CG-CG2 3.71Å; L636-V645 PolarHBondContact O-N 2.81Å; V645-C671 PolarHBondContact O-N 3.37Å; V645-C671 VanDerWaalsContact O-N 3.12Å
646	S	83.9	Confident	73.4	Confident	69 Å²	69	84.1 Å²	84.1	48%	0.483	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-79.6	150.5	177	-58.6	0	0	0	0	110.2	L644 D669	L644-S646 PolarHBondContact O-N 3.04Å; L644-S646 PolarHBondContact O-OG 3.27Å; S646-D669 WeakPolarHBondContact CA-O 3.01Å
647	C	87.4	Confident	72.6	Confident	19 Å²	19	87.1 Å²	87.1	13%	0.128	46%	0.462	C	S	.	.			trans	-134.1	178.4	-178.5	61	0	0	0	0	111.2	C660 D669 I670	C647-C660 HydrophobicContact CB-CB 3.82Å; C647-C660 WeakPolarHBondContact CB-SG 3.29Å; C647-C660 WeakPolarHBondContact SG-CA 3.4Å; C647-C660 WeakPolarHBondContact SG-CB 3.32Å; C647-C660 CovalentContact SG-SG 2.04Å; C647-C660 PolarHBondContact SG-SG 3.33Å; C647-D669 PolarHBondContact N-O 3.45Å; C647-D669 WeakPolarHBondContact O-CB 3.35Å; C647-D669 VanDerWaalsContact SG-C 3.55Å; C647-I670 PolarHBondContact SG-N 3.15Å; C647-I670 PolarHBondContact SG-O 2.69Å; C647-I670 VanDerWaalsContact SG-O 3.41Å
648	S	78.9	Confident	72.5	Confident	44 Å²	44	86.9 Å²	86.9	31%	0.308	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-132.3	140.1	169	178.6	0	0	0	0	109.6	S650 S651	S648-S650 PolarHBondContact O-N 2.81Å; S648-S650 VanDerWaalsContact O-N 3.08Å; S648-S650 PolarHBondContact OG-N 3.28Å; S648-S650 VanDerWaalsContact OG-N 3.16Å; S648-S650 PolarHBondContact OG-OG 2.95Å; S648-S651 CarbonylContact O-C 3.52Å; S648-S651 PolarHBondContact O-N 3.33Å; S648-S651 VanDerWaalsContact O-N 3.12Å
649	R	67.7	Low	72.7	Confident	172 Å²	172	84.9 Å²	84.9	65%	0.649	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.1	170.1	-77.9	171.9	-88.9	168.2	-8.1	114.2	H662 D669	R649-H662 PolarHBondContact NH2-ND1 2.99Å; R649-D669 IonicContact CZ-OD1 3.61Å; R649-D669 IonicContact CZ-OD2 2.77Å; R649-D669 IonicContact NE-OD1 3.87Å; R649-D669 IonicContact NE-OD2 2.7Å; R649-D669 PolarHBondContact NE-OD2 3.28Å; R649-D669 IonicContact NH2-OD1 3.62Å; R649-D669 PolarHBondContact NH2-OD1 2.81Å; R649-D669 IonicContact NH2-OD2 3.45Å; R649-D669 PolarHBondContact NH2-OD2 3.28Å
650	S	59.1	Low	74	Confident	103 Å²	103	78 Å²	78	72%	0.72	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-11.6	172.9	66.2	0	0	0	0	114.6	S648	S648-S650 PolarHBondContact O-N 2.81Å; S648-S650 VanDerWaalsContact O-N 3.08Å; S648-S650 PolarHBondContact OG-N 3.28Å; S648-S650 VanDerWaalsContact OG-N 3.16Å; S648-S650 PolarHBondContact OG-OG 2.95Å
651	S	57.9	Low	75.5	Confident	56 Å²	56	72.2 Å²	72.2	39%	0.392	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-157.4	127	-175.8	44.8	0	0	0	0	111.4	S648 V653	S648-S651 CarbonylContact O-C 3.52Å; S648-S651 PolarHBondContact O-N 3.33Å; S648-S651 VanDerWaalsContact O-N 3.12Å; S651-V653 VanDerWaalsContact C-N 3.32Å; S651-V653 PolarHBondContact O-N 2.82Å
652	N	55.4	Low	76.5	Confident	162 Å²	162	74.5 Å²	74.5	87%	0.866	40%	0.404	S	S	*	.			trans	-72.8	84.3	178.8	-74.2	-9.1	0	0	0	111
653	V	75	Confident	77.2	Confident	91 Å²	91	68.6 Å²	68.6	55%	0.552	38%	0.381	S	S	*	.			trans	-88.3	-12.8	175.9	-174.5	0	0	0	0	111.9	S651	S651-V653 VanDerWaalsContact C-N 3.32Å; S651-V653 PolarHBondContact O-N 2.82Å
654	C	79.9	Confident	77.6	Confident	22 Å²	22	72.3 Å²	72.3	15%	0.149	39%	0.393	C	S	.	.	S	Bend	trans	-72.1	141.4	178.6	-62	0	0	0	0	112.1	Y658 C671	C654-Y658 WeakPolarHBondContact CB-O 3.35Å; C654-C671 WeakPolarHBondContact CA-SG 3.4Å; C654-C671 HydrophobicContact CB-CB 3.89Å; C654-C671 WeakPolarHBondContact CB-SG 3.48Å; C654-C671 WeakPolarHBondContact SG-CA 3.44Å; C654-C671 WeakPolarHBondContact SG-CB 2.94Å; C654-C671 CovalentContact SG-SG 2.04Å; C654-C671 PolarHBondContact SG-SG 3.18Å
655	P	80.3	Confident	77.7	Confident	66 Å²	66	72 Å²	72	43%	0.429	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-61.6	171.2	172.5	-24.3	35.4	0	0	0	113.9	L636 Y658	L636-P655 HydrophobicContact CD2-CG 3.67Å; P655-Y658 HydrophobicContact CB-CD2 4.37Å; P655-Y658 WeakPolarHBondContact O-CB 3.31Å; P655-Y658 PolarHBondContact O-N 2.72Å; P655-Y658 VanDerWaalsContact O-N 3.08Å
656	H	69.5	Low	77.8	Confident	160 Å²	160	71.1 Å²	71.1	74%	0.741	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	143.3	169	-163.6	-83	0	0	0	111.1	Y658	H656-Y658 WeakPolarHBondContact O-CD2 3.34Å; H656-Y658 PolarHBondContact O-N 3.08Å
657	D	71.3	Confident	77.8	Confident	94 Å²	94	71.2 Å²	71.2	50%	0.503	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	10.7	-172	-54.7	-64.3	0	0	0	116.6	G673 S674	D657-G673 WeakPolarHBondContact O-CA 3.5Å; D657-S674 PolarHBondContact O-N 2.87Å
658	Y	81.1	Confident	77.8	Confident	32 Å²	32	73.1 Å²	73.1	13%	0.125	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.8	172.3	-71.1	-99.3	0	0	0	113	L636 C654 P655 H656 C671 C672 G673 S674 S675	L636-Y658 HydrophobicContact CB-CD1 3.75Å; L636-Y658 HydrophobicContact CB-CE1 3.58Å; L636-Y658 HydrophobicContact CD1-CE1 3.98Å; L636-Y658 HydrophobicContact CD1-CE2 4.31Å; L636-Y658 HydrophobicContact CD2-CD1 4.29Å; L636-Y658 HydrophobicContact CD2-CE1 4.47Å; L636-Y658 HydrophobicContact CD2-CG 4.38Å; L636-Y658 HydrophobicContact CG-CD1 4.43Å; L636-Y658 HydrophobicContact CG-CE1 4.2Å; C654-Y658 WeakPolarHBondContact CB-O 3.35Å; P655-Y658 HydrophobicContact CB-CD2 4.37Å; P655-Y658 WeakPolarHBondContact O-CB 3.31Å; P655-Y658 PolarHBondContact O-N 2.72Å; P655-Y658 VanDerWaalsContact O-N 3.08Å; H656-Y658 WeakPolarHBondContact O-CD2 3.34Å; H656-Y658 PolarHBondContact O-N 3.08Å; Y658-C671 HydrophobicContact CD1-CB 4.17Å; Y658-C672 CarbonylContact C-O 3.58Å; Y658-C672 WeakPolarHBondContact CA-O 3.42Å; Y658-C672 VanDerWaalsContact CD1-C 3.42Å; Y658-G673 VanDerWaalsContact CD1-CA 3.43Å; Y658-G673 VanDerWaalsContact CD1-N 3.26Å; Y658-S674 VanDerWaalsContact CE2-O 3.25Å; Y658-S674 WeakPolarHBondContact CE2-O 3.19Å; Y658-S674 PolarHBondContact OH-O 3.36Å; Y658-S675 WeakPolarHBondContact OH-CA 3.21Å; Y658-S675 WeakPolarHBondContact OH-CB 3.48Å; Y658-S675 PolarHBondContact OH-N 3.37Å; Y658-S675 VanDerWaalsContact OH-N 3.13Å
659	S	82.7	Confident	78.2	Confident	49 Å²	49	72 Å²	72	34%	0.343	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.3	174.3	-67.6	0	0	0	0	111.3	C672	S659-C672 PolarHBondContact N-O 2.98Å; S659-C672 PolarHBondContact O-N 2.73Å
660	C	87.2	Confident	79.3	Confident	31 Å²	31	63.9 Å²	63.9	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.5	177.2	-173.8	0	0	0	0	111.2	C647	C647-C660 HydrophobicContact CB-CB 3.82Å; C647-C660 WeakPolarHBondContact CB-SG 3.29Å; C647-C660 WeakPolarHBondContact SG-CA 3.4Å; C647-C660 WeakPolarHBondContact SG-CB 3.32Å; C647-C660 CovalentContact SG-SG 2.04Å; C647-C660 PolarHBondContact SG-SG 3.33Å
661	I	85.3	Confident	80.8	Confident	42 Å²	42	59 Å²	59	22%	0.215	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.4	-173.6	-59.8	-170.4	0	0	0	110.6	P630 S663 I670 C672	P630-I661 HydrophobicContact CG-CD1 3.8Å; I661-S663 PolarHBondContact O-N 2.85Å; I661-I670 PolarHBondContact N-O 2.97Å; I661-I670 WeakPolarHBondContact O-CG1 3.31Å; I661-I670 PolarHBondContact O-N 3.37Å; I661-C672 HydrophobicContact CB-CB 4.48Å; I661-C672 HydrophobicContact CD1-CB 3.74Å; I661-C672 HydrophobicContact CG1-CB 4.19Å
662	H	86.6	Confident	82.3	Confident	78 Å²	78	56.3 Å²	56.3	36%	0.361	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	108	175.6	-172.8	66.9	0	0	0	111.5	R649 K664 D669	R649-H662 PolarHBondContact NH2-ND1 2.99Å; H662-K664 PolarHBondContact O-N 2.88Å; H662-D669 WeakPolarHBondContact CA-OD1 3.31Å; H662-D669 VanDerWaalsContact CB-OD1 3.32Å; H662-D669 WeakPolarHBondContact CB-OD1 3.46Å; H662-D669 IonicContact CE1-OD1 2.67Å; H662-D669 IonicContact CG-OD1 3.64Å; H662-D669 IonicContact ND1-OD1 2.79Å; H662-D669 PolarHBondContact ND1-OD1 2.9Å
663	S	86.4	Confident	83.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.9	172	171.6	0	0	0	0	110.6	D628 I661 L665 L666 A667 T668	D628-S663 VanDerWaalsContact OD2-CA 3.25Å; D628-S663 WeakPolarHBondContact OD2-CA 3.46Å; D628-S663 WeakPolarHBondContact OD2-CB 3.48Å; D628-S663 PolarHBondContact OD2-OG 3.28Å; I661-S663 PolarHBondContact O-N 2.85Å; S663-L665 PolarHBondContact OG-N 2.82Å; S663-L666 WeakPolarHBondContact OG-CB 3.47Å; S663-L666 WeakPolarHBondContact OG-CG 3.43Å; S663-L666 PolarHBondContact OG-N 3.38Å; S663-A667 VanDerWaalsContact O-CA 3.23Å; S663-A667 WeakPolarHBondContact O-CA 3.38Å; S663-A667 PolarHBondContact O-N 2.81Å; S663-T668 PolarHBondContact N-O 2.8Å; S663-T668 PolarHBondContact O-N 2.79Å
664	K	84.6	Confident	83.9	Confident	169 Å²	169	45.2 Å²	45.2	74%	0.735	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-32	173.7	-63.9	169.8	-175.9	165.9	0	111.5	D628 H662	D628-K664 VanDerWaalsContact CG-N 3.34Å; D628-K664 PolarHBondContact OD2-N 3.26Å; H662-K664 PolarHBondContact O-N 2.88Å
665	L	84.9	Confident	83.7	Confident	17 Å²	17	46.7 Å²	46.7	9%	0.089	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-40.9	177.6	-170.7	70.3	0	0	0	111.3	C572 F592 T594 K597 C624 A627 D628 S663	C572-L665 HydrophobicContact CB-CD2 3.65Å; F592-L665 HydrophobicContact CD1-CD2 4.06Å; F592-L665 HydrophobicContact CD1-CG 4.45Å; F592-L665 HydrophobicContact CE1-CD1 4.33Å; F592-L665 HydrophobicContact CE1-CD2 3.74Å; F592-L665 HydrophobicContact CE1-CG 3.81Å; F592-L665 HydrophobicContact CZ-CD2 4.27Å; F592-L665 HydrophobicContact CZ-CG 4.44Å; T594-L665 HydrophobicContact CG2-CD1 3.79Å; K597-L665 WeakPolarHBondContact CE-O 3.31Å; K597-L665 PolarHBondContact NZ-O 3.41Å; C624-L665 WeakPolarHBondContact O-CD2 3.33Å; A627-L665 HydrophobicContact CB-CD2 3.63Å; D628-L665 WeakPolarHBondContact OD2-CB 3.23Å; D628-L665 PolarHBondContact OD2-N 3.18Å; S663-L665 PolarHBondContact OG-N 2.82Å
666	L	87.6	Confident	83.6	Confident	18 Å²	18	44.7 Å²	44.7	9%	0.094	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-25.6	-179.9	-58.9	169.1	0	0	0	113.4	F592 K597 L644 S663 T668 I670	F592-L666 HydrophobicContact CE2-CD2 4.22Å; F592-L666 HydrophobicContact CZ-CD2 3.69Å; K597-L666 HydrophobicContact CB-CD2 4.24Å; K597-L666 WeakPolarHBondContact CE-O 3Å; L644-L666 HydrophobicContact CD1-CD1 3.36Å; S663-L666 WeakPolarHBondContact OG-CB 3.47Å; S663-L666 WeakPolarHBondContact OG-CG 3.43Å; S663-L666 PolarHBondContact OG-N 3.38Å; L666-T668 HydrophobicContact CB-CG2 4.06Å; L666-I670 HydrophobicContact CD1-CD1 4.21Å; L666-I670 HydrophobicContact CD1-CG2 4.18Å
667	A	85.4	Confident	83.9	Confident	71 Å²	71	41.4 Å²	41.4	59%	0.587	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	36.2	-170.4	0	0	0	0	0	114.2	S663	S663-A667 VanDerWaalsContact O-CA 3.23Å; S663-A667 WeakPolarHBondContact O-CA 3.38Å; S663-A667 PolarHBondContact O-N 2.81Å
668	T	86.7	Confident	83.9	Confident	58 Å²	58	41.8 Å²	41.8	36%	0.356	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.8	175.5	-166.7	0	0	0	0	111.7	S663 L666 I670	S663-T668 PolarHBondContact N-O 2.8Å; S663-T668 PolarHBondContact O-N 2.79Å; L666-T668 HydrophobicContact CB-CG2 4.06Å; T668-I670 HydrophobicContact CG2-CG2 3.77Å
669	D	87.9	Confident	83.4	Confident	22 Å²	22	42.3 Å²	42.3	12%	0.118	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.9	175.1	-78	14.3	0	0	0	109.5	S646 C647 R649 H662	S646-D669 WeakPolarHBondContact CA-O 3.01Å; C647-D669 PolarHBondContact N-O 3.45Å; C647-D669 WeakPolarHBondContact O-CB 3.35Å; C647-D669 VanDerWaalsContact SG-C 3.55Å; R649-D669 IonicContact CZ-OD1 3.61Å; R649-D669 IonicContact CZ-OD2 2.77Å; R649-D669 IonicContact NE-OD1 3.87Å; R649-D669 IonicContact NE-OD2 2.7Å; R649-D669 PolarHBondContact NE-OD2 3.28Å; R649-D669 IonicContact NH2-OD1 3.62Å; R649-D669 PolarHBondContact NH2-OD1 2.81Å; R649-D669 IonicContact NH2-OD2 3.45Å; R649-D669 PolarHBondContact NH2-OD2 3.28Å; H662-D669 WeakPolarHBondContact CA-OD1 3.31Å; H662-D669 VanDerWaalsContact CB-OD1 3.32Å; H662-D669 WeakPolarHBondContact CB-OD1 3.46Å; H662-D669 IonicContact CE1-OD1 2.67Å; H662-D669 IonicContact CG-OD1 3.64Å; H662-D669 IonicContact ND1-OD1 2.79Å; H662-D669 PolarHBondContact ND1-OD1 2.9Å
670	I	89.9	Confident	83.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.9	-174.3	59.1	165.4	0	0	0	112	A635 L644 C647 I661 L666 T668	A635-I670 HydrophobicContact CB-CD1 3.92Å; L644-I670 HydrophobicContact CB-CG2 4.32Å; L644-I670 HydrophobicContact CD1-CG2 3.95Å; C647-I670 PolarHBondContact SG-N 3.15Å; C647-I670 PolarHBondContact SG-O 2.69Å; C647-I670 VanDerWaalsContact SG-O 3.41Å; I661-I670 PolarHBondContact N-O 2.97Å; I661-I670 WeakPolarHBondContact O-CG1 3.31Å; I661-I670 PolarHBondContact O-N 3.37Å; L666-I670 HydrophobicContact CD1-CD1 4.21Å; L666-I670 HydrophobicContact CD1-CG2 4.18Å; T668-I670 HydrophobicContact CG2-CG2 3.77Å
671	C	90.6	Very high	82.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.3	170.7	-63.4	0	0	0	0	111.2	A635 L636 V645 C654 Y658	A635-C671 WeakPolarHBondContact CA-O 3.09Å; L636-C671 HydrophobicContact CB-CB 3.89Å; L636-C671 HydrophobicContact CD2-CB 4.14Å; L636-C671 PolarHBondContact N-O 3.34Å; V645-C671 PolarHBondContact O-N 3.37Å; V645-C671 VanDerWaalsContact O-N 3.12Å; C654-C671 WeakPolarHBondContact CA-SG 3.4Å; C654-C671 HydrophobicContact CB-CB 3.89Å; C654-C671 WeakPolarHBondContact CB-SG 3.48Å; C654-C671 WeakPolarHBondContact SG-CA 3.44Å; C654-C671 WeakPolarHBondContact SG-CB 2.94Å; C654-C671 CovalentContact SG-SG 2.04Å; C654-C671 PolarHBondContact SG-SG 3.18Å; Y658-C671 HydrophobicContact CD1-CB 4.17Å
672	C	89	Confident	82.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.4	173.7	-70	0	0	0	0	110.5	C629 V634 Y658 S659 I661	C629-C672 WeakPolarHBondContact CA-SG 3.29Å; C629-C672 HydrophobicContact CB-CB 3.69Å; C629-C672 WeakPolarHBondContact CB-SG 3.38Å; C629-C672 WeakPolarHBondContact SG-CB 3.41Å; C629-C672 CovalentContact SG-SG 2.04Å; C629-C672 PolarHBondContact SG-SG 3.01Å; V634-C672 WeakPolarHBondContact O-CA 3.42Å; Y658-C672 CarbonylContact C-O 3.58Å; Y658-C672 WeakPolarHBondContact CA-O 3.42Å; Y658-C672 VanDerWaalsContact CD1-C 3.42Å; S659-C672 PolarHBondContact N-O 2.98Å; S659-C672 PolarHBondContact O-N 2.73Å; I661-C672 HydrophobicContact CB-CB 4.48Å; I661-C672 HydrophobicContact CD1-CB 3.74Å; I661-C672 HydrophobicContact CG1-CB 4.19Å
673	G	85.7	Confident	81	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-153.1	-173.8	0	0	0	0	0	114.1	Q633 V634 D657 Y658	Q633-G673 WeakPolarHBondContact CA-O 3.28Å; V634-G673 WeakPolarHBondContact CG2-O 3.27Å; V634-G673 PolarHBondContact N-O 3.23Å; V634-G673 PolarHBondContact O-N 3.14Å; D657-G673 WeakPolarHBondContact O-CA 3.5Å; Y658-G673 VanDerWaalsContact CD1-CA 3.43Å; Y658-G673 VanDerWaalsContact CD1-N 3.26Å
674	S	80.1	Confident	79.8	Confident	20 Å²	20	45.6 Å²	45.6	14%	0.14	32%	0.323	C	S	.	.			trans	-112.8	125.9	178.6	165.2	0	0	0	0	111.6	D657 Y658 A676	D657-S674 PolarHBondContact O-N 2.87Å; Y658-S674 VanDerWaalsContact CE2-O 3.25Å; Y658-S674 WeakPolarHBondContact CE2-O 3.19Å; Y658-S674 PolarHBondContact OH-O 3.36Å; S674-A676 WeakPolarHBondContact OG-CB 3.28Å; S674-A676 PolarHBondContact OG-N 3.07Å
675	S	75.7	Confident	79.3	Confident	54 Å²	54	40.5 Å²	40.5	38%	0.378	30%	0.302	S	S	.	.			trans	-97.8	14.7	170.4	54.3	0	0	0	0	113.1	Y658 M689	Y658-S675 WeakPolarHBondContact OH-CA 3.21Å; Y658-S675 WeakPolarHBondContact OH-CB 3.48Å; Y658-S675 PolarHBondContact OH-N 3.37Å; Y658-S675 VanDerWaalsContact OH-N 3.13Å; S675-M689 WeakPolarHBondContact OG-CE 3.07Å
676	A	76.9	Confident	78.8	Confident	24 Å²	24	41 Å²	41	20%	0.198	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63.2	139.7	177.4	0	0	0	0	0	112.1	S674 T680 A687 M689 P696	S674-A676 WeakPolarHBondContact OG-CB 3.28Å; S674-A676 PolarHBondContact OG-N 3.07Å; A676-T680 HydrophobicContact CB-CG2 4.14Å; A676-A687 HydrophobicContact CB-CB 3.69Å; A676-M689 HydrophobicContact CB-SD 3.85Å; A676-P696 HydrophobicContact CB-CB 4.08Å; A676-P696 HydrophobicContact CB-CG 4.21Å
677	P	76.5	Confident	78.6	Confident	90 Å²	90	40.2 Å²	40.2	58%	0.584	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-57.6	150.1	174.2	-25.9	34.9	0	0	0	113.5	G679 T680	P677-G679 PolarHBondContact O-N 3.28Å; P677-T680 VanDerWaalsContact O-CB 3.28Å; P677-T680 WeakPolarHBondContact O-CB 3.03Å; P677-T680 PolarHBondContact O-N 2.61Å; P677-T680 VanDerWaalsContact O-N 3.08Å; P677-T680 PolarHBondContact O-OG1 3.43Å
678	A	70.5	Confident	78.5	Confident	102 Å²	102	37.6 Å²	37.6	84%	0.843	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	134.6	175.6	0	0	0	0	0	111.8	T680	A678-T680 VanDerWaalsContact C-N 3.34Å
679	G	70.2	Confident	78.2	Confident	43 Å²	43	34.9 Å²	34.9	44%	0.443	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-2	-176.1	0	0	0	0	0	115.8	P677 C681 S716 S718	P677-G679 PolarHBondContact O-N 3.28Å; G679-C681 PolarHBondContact O-N 3.03Å; G679-S716 PolarHBondContact O-OG 3.19Å; G679-S718 PolarHBondContact O-OG 2.88Å
680	T	81.4	Confident	77.7	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.043	27%	0.268	C	S	.	.	S	Bend	trans	-58.1	-33.7	171.5	-57.5	0	0	0	0	111.9	A676 P677 A678 A687 P696 F723	A676-T680 HydrophobicContact CB-CG2 4.14Å; P677-T680 VanDerWaalsContact O-CB 3.28Å; P677-T680 WeakPolarHBondContact O-CB 3.03Å; P677-T680 PolarHBondContact O-N 2.61Å; P677-T680 VanDerWaalsContact O-N 3.08Å; P677-T680 PolarHBondContact O-OG1 3.43Å; A678-T680 VanDerWaalsContact C-N 3.34Å; T680-A687 HydrophobicContact CG2-CB 4.19Å; T680-P696 HydrophobicContact CG2-CB 3.79Å; T680-P696 HydrophobicContact CG2-CG 3.91Å; T680-F723 HydrophobicContact CG2-CB 4.02Å; T680-F723 HydrophobicContact CG2-CD1 3.84Å; T680-F723 HydrophobicContact CG2-CD2 3.97Å; T680-F723 HydrophobicContact CG2-CE1 4.27Å; T680-F723 HydrophobicContact CG2-CE2 4.42Å; T680-F723 HydrophobicContact CG2-CG 3.66Å
681	C	74.9	Confident	77	Confident	20 Å²	20	36.2 Å²	36.2	14%	0.135	27%	0.269	C	S	.	.	S	Bend	trans	-130.3	159.5	174.3	-68.4	0	0	0	0	110.9	G679 Q685 A687 C725	G679-C681 PolarHBondContact O-N 3.03Å; C681-Q685 HydrophobicContact CB-CB 4.14Å; C681-Q685 WeakPolarHBondContact CB-O 3.2Å; C681-A687 VanDerWaalsContact SG-CA 3.52Å; C681-C725 WeakPolarHBondContact CA-SG 3.19Å; C681-C725 HydrophobicContact CB-CB 3.72Å; C681-C725 WeakPolarHBondContact CB-SG 3.44Å; C681-C725 VanDerWaalsContact SG-CA 3.56Å; C681-C725 WeakPolarHBondContact SG-CB 3.21Å; C681-C725 CovalentContact SG-SG 2.03Å; C681-C725 PolarHBondContact SG-SG 3.14Å
682	P	73	Confident	76.1	Confident	59 Å²	59	39.5 Å²	39.5	38%	0.383	29%	0.286	S	S	.	.			trans	-58	153.2	170.5	-22.5	33.4	0	0	0	112.1	G684 Q685 T714	P682-G684 PolarHBondContact O-N 2.92Å; P682-Q685 PolarHBondContact O-N 2.89Å; P682-T714 HydrophobicContact CG-CG2 3.71Å
683	A	62.4	Low	75.3	Confident	111 Å²	111	43.2 Å²	43.2	92%	0.917	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	131.8	175.4	0	0	0	0	0	111.1
684	G	62.6	Low	74.9	Confident	72 Å²	72	45.8 Å²	45.8	74%	0.742	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	2.7	-174.3	0	0	0	0	0	115.5	P682	P682-G684 PolarHBondContact O-N 2.92Å
685	Q	73.1	Confident	74.7	Confident	63 Å²	63	47.1 Å²	47.1	29%	0.294	33%	0.332	S	S	.	.			trans	-117.4	138.6	169.8	-62.7	-175.4	4	0	0	111.2	C681 P682 C725 T727	C681-Q685 HydrophobicContact CB-CB 4.14Å; C681-Q685 WeakPolarHBondContact CB-O 3.2Å; P682-Q685 PolarHBondContact O-N 2.89Å; Q685-C725 HydrophobicContact CB-CB 4.23Å; Q685-T727 HydrophobicContact CG-CG2 4.37Å
686	S	74.7	Confident	75	Confident	26 Å²	26	45.5 Å²	45.5	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.9	172.8	-48.6	0	0	0	0	110.4	C725 G726	S686-C725 WeakPolarHBondContact O-CA 3.24Å; S686-G726 PolarHBondContact N-O 2.03Å; S686-G726 PolarHBondContact O-N 3.21Å
687	A	82.8	Confident	75.3	Confident	3 Å²	3	47.8 Å²	47.8	3%	0.025	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.4	171.3	0	0	0	0	0	111	A676 T680 C681 M689 P696 C724	A676-A687 HydrophobicContact CB-CB 3.69Å; T680-A687 HydrophobicContact CG2-CB 4.19Å; C681-A687 VanDerWaalsContact SG-CA 3.52Å; A687-M689 HydrophobicContact CB-SD 4.32Å; A687-M689 PolarHBondContact O-N 2.05Å; A687-P696 HydrophobicContact CB-CB 3.75Å; A687-C724 CarbonylContact C-O 3.57Å; A687-C724 WeakPolarHBondContact CA-O 3.49Å
688	Y	82.9	Confident	75.5	Confident	15 Å²	15	49.4 Å²	49.4	6%	0.059	32%	0.324	C	S	.	.			trans	-70.4	110.2	165.6	-174.6	-81	0	0	0	108.7	L631 P696 R697 P708 F711 C724	L631-Y688 HydrophobicContact CB-CE2 4.38Å; Y688-P696 WeakPolarHBondContact O-CA 3.37Å; Y688-R697 HydrophobicContact CD1-CB 3.85Å; Y688-R697 PolarHBondContact O-N 2.83Å; Y688-P708 HydrophobicContact CD1-CG 4.2Å; Y688-P708 HydrophobicContact CD2-CB 3.97Å; Y688-P708 HydrophobicContact CD2-CG 3.7Å; Y688-P708 HydrophobicContact CE1-CG 4.05Å; Y688-P708 HydrophobicContact CE2-CB 3.7Å; Y688-P708 HydrophobicContact CE2-CG 3.52Å; Y688-P708 HydrophobicContact CG-CG 4.05Å; Y688-F711 HydrophobicContact CD2-CD1 4.45Å; Y688-F711 AromaticContact CD2-CD2 3.76Å; Y688-F711 HydrophobicContact CD2-CD2 3.76Å; Y688-F711 HydrophobicContact CD2-CE1 4.37Å; Y688-F711 AromaticContact CD2-CE2 3.68Å; Y688-F711 HydrophobicContact CD2-CE2 3.68Å; Y688-F711 HydrophobicContact CD2-CG 4.17Å; Y688-F711 AromaticContact CD2-CZ 4Å; Y688-F711 HydrophobicContact CD2-CZ 4Å; Y688-F711 HydrophobicContact CE2-CE2 4.46Å; Y688-C724 PolarHBondContact N-O 3.34Å
689	M	81.8	Confident	75.8	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.3	174.9	-58.3	-58	-63.4	0	0	110.8	G632 V634 S675 A676 A687 N694 S695 P696	G632-M689 WeakPolarHBondContact O-CB 3.44Å; G632-M689 PolarHBondContact O-N 3.23Å; V634-M689 HydrophobicContact CB-CB 4.44Å; V634-M689 HydrophobicContact CG1-CB 3.75Å; V634-M689 HydrophobicContact CG2-CB 3.93Å; V634-M689 HydrophobicContact CG2-CE 4.46Å; V634-M689 HydrophobicContact CG2-CG 4.04Å; S675-M689 WeakPolarHBondContact OG-CE 3.07Å; A676-M689 HydrophobicContact CB-SD 3.85Å; A687-M689 HydrophobicContact CB-SD 4.32Å; A687-M689 PolarHBondContact O-N 2.05Å; M689-N694 WeakPolarHBondContact CE-O 3.48Å; M689-S695 VanDerWaalsContact CE-C 3.45Å; M689-P696 HydrophobicContact SD-CB 4.02Å
690	D	77.3	Confident	75.6	Confident	48 Å²	48	49.3 Å²	49.3	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.6	168.6	-174.3	-68.1	0	0	0	109.4	L692 T693 N694 S695	D690-L692 VanDerWaalsContact C-N 3.33Å; D690-L692 PolarHBondContact O-N 3.49Å; D690-L692 WeakPolarHBondContact OD1-CA 3.45Å; D690-L692 WeakPolarHBondContact OD1-CB 3.46Å; D690-L692 PolarHBondContact OD1-N 3.39Å; D690-T693 WeakPolarHBondContact CB-OG1 3.47Å; D690-T693 PolarHBondContact OD1-N 2.89Å; D690-T693 VanDerWaalsContact OD1-N 3.08Å; D690-N694 WeakPolarHBondContact O-CA 3.15Å; D690-N694 PolarHBondContact O-N 3.41Å; D690-S695 PolarHBondContact N-O 2.82Å
691	A	75.4	Confident	74.6	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.017	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.7	-174.8	0	0	0	0	0	114	R568 S622 Y623 V634	R568-A691 VanDerWaalsContact CZ-CB 3.48Å; S622-A691 CarbonylContact C-O 3.56Å; S622-A691 VanDerWaalsContact CB-O 3.27Å; S622-A691 WeakPolarHBondContact CB-O 3.41Å; S622-A691 PolarHBondContact OG-O 3.11Å; S622-A691 VanDerWaalsContact OG-O 3.06Å; Y623-A691 WeakPolarHBondContact CA-O 2.99Å; Y623-A691 HydrophobicContact CD2-CB 4.2Å; Y623-A691 PolarHBondContact N-O 3.5Å; V634-A691 HydrophobicContact CG1-CB 4.28Å
692	L	71.4	Confident	73.3	Confident	69 Å²	69	59.6 Å²	59.6	36%	0.361	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-39.3	176.3	-172.3	68.1	0	0	0	111	F614 K619 S622 Y623 D690	F614-L692 HydrophobicContact CD1-CD1 3.95Å; F614-L692 HydrophobicContact CE1-CD1 4.25Å; K619-L692 HydrophobicContact CB-CD1 4.03Å; S622-L692 PolarHBondContact OG-O 2.98Å; Y623-L692 HydrophobicContact CD2-CB 4.37Å; D690-L692 VanDerWaalsContact C-N 3.33Å; D690-L692 PolarHBondContact O-N 3.49Å; D690-L692 WeakPolarHBondContact OD1-CA 3.45Å; D690-L692 WeakPolarHBondContact OD1-CB 3.46Å; D690-L692 PolarHBondContact OD1-N 3.39Å
693	T	72.9	Confident	72.2	Confident	78 Å²	78	59.6 Å²	59.6	48%	0.479	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-11.5	179.5	62.4	0	0	0	0	114.7	D690 S695	D690-T693 WeakPolarHBondContact CB-OG1 3.47Å; D690-T693 PolarHBondContact OD1-N 2.89Å; D690-T693 VanDerWaalsContact OD1-N 3.08Å; T693-S695 PolarHBondContact O-N 3.04Å; T693-S695 PolarHBondContact OG1-OG 3.27Å
694	N	76.8	Confident	71.3	Confident	54 Å²	54	59.4 Å²	59.4	29%	0.289	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	33.7	-173.8	-159	30.4	0	0	0	113.7	V634 M689 D690	V634-N694 WeakPolarHBondContact CG2-OD1 3.22Å; M689-N694 WeakPolarHBondContact CE-O 3.48Å; D690-N694 WeakPolarHBondContact O-CA 3.15Å; D690-N694 PolarHBondContact O-N 3.41Å
695	S	76.7	Confident	70.7	Confident	49 Å²	49	58.7 Å²	58.7	34%	0.343	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.5	-175.5	66.7	0	0	0	0	111.8	M689 D690 T693 R697	M689-S695 VanDerWaalsContact CE-C 3.45Å; D690-S695 PolarHBondContact N-O 2.82Å; T693-S695 PolarHBondContact O-N 3.04Å; T693-S695 PolarHBondContact OG1-OG 3.27Å; S695-R697 PolarHBondContact O-N 2.9Å
696	P	81.4	Confident	70	Confident	20 Å²	20	56.7 Å²	56.7	13%	0.13	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.2	172.5	27.3	-35.3	0	0	0	110.3	A676 T680 A687 Y688 M689 Q698 F723	A676-P696 HydrophobicContact CB-CB 4.08Å; A676-P696 HydrophobicContact CB-CG 4.21Å; T680-P696 HydrophobicContact CG2-CB 3.79Å; T680-P696 HydrophobicContact CG2-CG 3.91Å; A687-P696 HydrophobicContact CB-CB 3.75Å; Y688-P696 WeakPolarHBondContact O-CA 3.37Å; M689-P696 HydrophobicContact SD-CB 4.02Å; P696-Q698 PolarHBondContact O-N 2.9Å; P696-Q698 VanDerWaalsContact O-N 3.14Å; P696-F723 HydrophobicContact CB-CD1 3.84Å; P696-F723 HydrophobicContact CB-CE1 4.3Å; P696-F723 HydrophobicContact CG-CD1 3.98Å; P696-F723 HydrophobicContact CG-CE1 3.92Å
697	R	82	Confident	69.4	Low	72 Å²	72	56.1 Å²	56.1	27%	0.272	30%	0.301	S	S	.	.			trans	-67.6	111.3	-179.1	179.2	-177.2	-119.9	-126.9	3.4	109.6	Y688 S695 S706 F723 C724	Y688-R697 HydrophobicContact CD1-CB 3.85Å; Y688-R697 PolarHBondContact O-N 2.83Å; S695-R697 PolarHBondContact O-N 2.9Å; R697-S706 PolarHBondContact NH1-O 2.77Å; R697-F723 WeakPolarHBondContact O-CA 3.33Å; R697-C724 HydrophobicContact CB-CB 4.28Å; R697-C724 PolarHBondContact O-N 2.88Å
698	Q	81.9	Confident	68.5	Low	124 Å²	124	57.5 Å²	57.5	58%	0.579	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	147.3	167.1	-69.8	175.5	4.7	0	0	110.2	P696 N721 S722 F723	P696-Q698 PolarHBondContact O-N 2.9Å; P696-Q698 VanDerWaalsContact O-N 3.14Å; Q698-N721 PolarHBondContact NE2-ND2 3.25Å; Q698-N721 PolarHBondContact OE1-ND2 3.4Å; Q698-S722 CarbonylContact C-O 3.45Å; Q698-S722 WeakPolarHBondContact CA-O 2.98Å; Q698-F723 HydrophobicContact CG-CD1 3.87Å; Q698-F723 HydrophobicContact CG-CE1 3.46Å; Q698-F723 VanDerWaalsContact CG-CE1 3.46Å; Q698-F723 HydrophobicContact CG-CZ 4.07Å
699	C	75.6	Confident	67.4	Low	14 Å²	14	62 Å²	62	10%	0.095	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	165.4	178.9	64.6	0	0	0	0	109.6	C713 S722 F723	C699-C713 HydrophobicContact CB-CB 3.8Å; C699-C713 WeakPolarHBondContact CB-SG 3.37Å; C699-C713 WeakPolarHBondContact SG-CA 3.42Å; C699-C713 WeakPolarHBondContact SG-CB 3.36Å; C699-C713 CovalentContact SG-SG 2.03Å; C699-C713 PolarHBondContact SG-SG 3.38Å; C699-S722 PolarHBondContact N-O 2.9Å; C699-S722 WeakPolarHBondContact O-CB 3.25Å; C699-F723 PolarHBondContact SG-N 3.38Å; C699-F723 VanDerWaalsContact SG-N 3.42Å; C699-F723 PolarHBondContact SG-O 3.13Å
700	Q	65.7	Low	66.4	Low	129 Å²	129	64 Å²	64	60%	0.603	35%	0.351	S	S	*	.			trans	-112.5	128.9	172.5	-166	167	-2.5	0	0	108.3	I703 C713	Q700-I703 HydrophobicContact CB-CB 4.49Å; Q700-I703 HydrophobicContact CB-CD1 3.85Å; Q700-I703 HydrophobicContact CB-CG1 4.11Å; Q700-I703 HydrophobicContact CG-CD1 4.21Å; Q700-I703 HydrophobicContact CG-CG1 4.44Å; Q700-I703 PolarHBondContact O-N 3.21Å; Q700-C713 VanDerWaalsContact C-SG 3.51Å
701	P	60.5	Low	66.1	Low	68 Å²	68	63.3 Å²	63.3	44%	0.442	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	147	174.5	-28.1	36.3	0	0	0	111.5	I703 S722	P701-I703 PolarHBondContact O-N 3.04Å; P701-S722 WeakPolarHBondContact CG-OG 3.34Å
702	N	48	Very low	66.1	Low	174 Å²	174	68.1 Å²	68.1	93%	0.93	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	6.8	179.6	-51.6	-25	0	0	0	115.9
703	I	50	Low	66.4	Low	59 Å²	59	66.8 Å²	66.8	30%	0.303	36%	0.362	S	S	.	.			trans	-85.2	115.1	166.1	-69.7	-167.7	0	0	0	110.8	Q700 P701 N705 S706	Q700-I703 HydrophobicContact CB-CB 4.49Å; Q700-I703 HydrophobicContact CB-CD1 3.85Å; Q700-I703 HydrophobicContact CB-CG1 4.11Å; Q700-I703 HydrophobicContact CG-CD1 4.21Å; Q700-I703 HydrophobicContact CG-CG1 4.44Å; Q700-I703 PolarHBondContact O-N 3.21Å; P701-I703 PolarHBondContact O-N 3.04Å; I703-N705 PolarHBondContact O-N 2.92Å; I703-S706 WeakPolarHBondContact O-CB 3.35Å; I703-S706 PolarHBondContact O-N 2.88Å; I703-S706 PolarHBondContact O-OG 3.38Å
704	D	43.3	Very low	66.6	Low	107 Å²	107	64.6 Å²	64.6	57%	0.572	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	119.6	178.5	-144.5	16.7	0	0	0	111.4	R560 S706	R560-D704 IonicContact NH2-OD2 2.68Å; D704-S706 VanDerWaalsContact C-N 3.26Å; D704-S706 PolarHBondContact O-N 3.34Å
705	N	49.9	Very low	66.6	Low	57 Å²	57	69.1 Å²	69.1	31%	0.305	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	27.9	-173.8	-34.1	-95.5	0	0	0	114.3	T553 R560 I703 C707	T553-N705 HydrophobicContact CG2-CB 3.93Å; T553-N705 WeakPolarHBondContact OG1-CB 3.35Å; R560-N705 PolarHBondContact NH1-OD1 3.12Å; I703-N705 PolarHBondContact O-N 2.92Å; N705-C707 PolarHBondContact O-N 3.17Å
706	S	58.3	Low	66.6	Low	22 Å²	22	67 Å²	67	15%	0.154	35%	0.348	C	S	.	.	S	Bend	trans	-56	-28.7	164.8	50.3	0	0	0	0	112.5	R697 I703 D704	R697-S706 PolarHBondContact NH1-O 2.77Å; I703-S706 WeakPolarHBondContact O-CB 3.35Å; I703-S706 PolarHBondContact O-N 2.88Å; I703-S706 PolarHBondContact O-OG 3.38Å; D704-S706 VanDerWaalsContact C-N 3.26Å; D704-S706 PolarHBondContact O-N 3.34Å
707	C	62.8	Low	65.7	Low	14 Å²	14	68.8 Å²	68.8	10%	0.095	37%	0.371	C	S	.	.	S	Bend	trans	-112.6	146.4	175.5	-64	0	0	0	0	113	N705 F711 C724	N705-C707 PolarHBondContact O-N 3.17Å; C707-F711 HydrophobicContact CB-CB 4.13Å; C707-F711 VanDerWaalsContact CB-O 3.22Å; C707-F711 WeakPolarHBondContact CB-O 3.03Å; C707-C724 WeakPolarHBondContact CA-SG 3.44Å; C707-C724 HydrophobicContact CB-CB 3.71Å; C707-C724 WeakPolarHBondContact CB-SG 3.34Å; C707-C724 WeakPolarHBondContact SG-CA 3.41Å; C707-C724 WeakPolarHBondContact SG-CB 3.46Å; C707-C724 CovalentContact SG-SG 2.04Å; C707-C724 PolarHBondContact SG-SG 2.78Å
708	P	63.8	Low	64.6	Low	31 Å²	31	69.4 Å²	69.4	20%	0.201	39%	0.386	C	S	.	.			trans	-63.2	159	173.2	-25.3	38.7	0	0	0	112.7	Y688 G710 F711	Y688-P708 HydrophobicContact CD1-CG 4.2Å; Y688-P708 HydrophobicContact CD2-CB 3.97Å; Y688-P708 HydrophobicContact CD2-CG 3.7Å; Y688-P708 HydrophobicContact CE1-CG 4.05Å; Y688-P708 HydrophobicContact CE2-CB 3.7Å; Y688-P708 HydrophobicContact CE2-CG 3.52Å; Y688-P708 HydrophobicContact CG-CG 4.05Å; P708-G710 PolarHBondContact O-N 3.4Å; P708-F711 PolarHBondContact O-N 2.87Å
709	Q	60.4	Low	63.5	Low	111 Å²	111	65.3 Å²	65.3	52%	0.519	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.2	-179.9	-173.9	174.8	0.9	0	0	111.6	T746	Q709-T746 HydrophobicContact CG-CG2 4.44Å
710	G	61.1	Low	63.2	Low	41 Å²	41	70.2 Å²	70.2	42%	0.423	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-8.3	-174.4	0	0	0	0	0	115.1	P708	P708-G710 PolarHBondContact O-N 3.4Å
711	F	71	Confident	63.5	Low	34 Å²	34	66.7 Å²	66.7	15%	0.149	39%	0.389	C	S	.	.			trans	-121.8	144.3	178.6	-62.4	-102.6	0	0	0	110.8	Y688 C707 P708 C724	Y688-F711 HydrophobicContact CD2-CD1 4.45Å; Y688-F711 AromaticContact CD2-CD2 3.76Å; Y688-F711 HydrophobicContact CD2-CD2 3.76Å; Y688-F711 HydrophobicContact CD2-CE1 4.37Å; Y688-F711 AromaticContact CD2-CE2 3.68Å; Y688-F711 HydrophobicContact CD2-CE2 3.68Å; Y688-F711 HydrophobicContact CD2-CG 4.17Å; Y688-F711 AromaticContact CD2-CZ 4Å; Y688-F711 HydrophobicContact CD2-CZ 4Å; Y688-F711 HydrophobicContact CE2-CE2 4.46Å; C707-F711 HydrophobicContact CB-CB 4.13Å; C707-F711 VanDerWaalsContact CB-O 3.22Å; C707-F711 WeakPolarHBondContact CB-O 3.03Å; P708-F711 PolarHBondContact O-N 2.87Å; F711-C724 HydrophobicContact CB-CB 4.15Å
712	F	75.4	Confident	64.3	Low	103 Å²	103	63.7 Å²	63.7	45%	0.452	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.8	-177.8	-55.1	-87.4	0	0	0	109.8	T714 C724 C725	F712-T714 PolarHBondContact O-N 2.81Å; F712-C724 CarbonylContact O-C 3.58Å; F712-C724 WeakPolarHBondContact O-CA 3.32Å; F712-C725 PolarHBondContact N-O 2.03Å; F712-C725 PolarHBondContact O-N 3.41Å
713	C	77.6	Confident	66.1	Low	41 Å²	41	56 Å²	56	28%	0.277	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	104.7	178.9	-172.9	0	0	0	0	110.3	C699 Q700	C699-C713 HydrophobicContact CB-CB 3.8Å; C699-C713 WeakPolarHBondContact CB-SG 3.37Å; C699-C713 WeakPolarHBondContact SG-CA 3.42Å; C699-C713 WeakPolarHBondContact SG-CB 3.36Å; C699-C713 CovalentContact SG-SG 2.03Å; C699-C713 PolarHBondContact SG-SG 3.38Å; Q700-C713 VanDerWaalsContact C-SG 3.51Å
714	T	77.2	Confident	67.6	Low	33 Å²	33	53.2 Å²	53.2	20%	0.202	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.2	-175	-58.1	0	0	0	0	110.2	P682 F712 S722 F723	P682-T714 HydrophobicContact CG-CG2 3.71Å; F712-T714 PolarHBondContact O-N 2.81Å; T714-S722 CarbonylContact O-C 3.42Å; T714-S722 VanDerWaalsContact O-CA 3.31Å; T714-S722 WeakPolarHBondContact O-CA 3.3Å; T714-F723 PolarHBondContact N-O 3.47Å; T714-F723 PolarHBondContact O-N 3.21Å
715	Y	76.6	Confident	69.5	Low	148 Å²	148	48.1 Å²	48.1	58%	0.58	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.8	176	-179.1	-106	0	0	0	111.3
716	S	75.1	Confident	70.4	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.5	171.2	175.4	0	0	0	0	110.1	G679 S718 A719 T720 N721	G679-S716 PolarHBondContact O-OG 3.19Å; S716-S718 VanDerWaalsContact C-N 3.26Å; S716-S718 PolarHBondContact O-N 2.78Å; S716-S718 PolarHBondContact OG-N 2.84Å; S716-S718 PolarHBondContact OG-OG 3.16Å; S716-A719 PolarHBondContact O-N 3.25Å; S716-A719 PolarHBondContact OG-N 3.27Å; S716-T720 PolarHBondContact O-N 3.42Å; S716-N721 WeakPolarHBondContact CB-O 3.03Å; S716-N721 PolarHBondContact N-O 3.37Å
717	G	62.6	Low	70.6	Confident	59 Å²	59	46.6 Å²	46.6	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.1	174.2	0	0	0	0	0	114.1
718	S	59.6	Low	69.9	Low	84 Å²	84	47.9 Å²	47.9	59%	0.587	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-26.6	178.9	61.7	0	0	0	0	113.6	G679 S716	G679-S718 PolarHBondContact O-OG 2.88Å; S716-S718 VanDerWaalsContact C-N 3.26Å; S716-S718 PolarHBondContact O-N 2.78Å; S716-S718 PolarHBondContact OG-N 2.84Å; S716-S718 PolarHBondContact OG-OG 3.16Å
719	A	59.9	Low	69.1	Low	39 Å²	39	53 Å²	53	32%	0.322	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	11.4	-179.2	0	0	0	0	0	113.9	S716 N721 F723	S716-A719 PolarHBondContact O-N 3.25Å; S716-A719 PolarHBondContact OG-N 3.27Å; A719-N721 WeakPolarHBondContact O-CB 3.35Å; A719-N721 PolarHBondContact O-N 2.76Å; A719-F723 HydrophobicContact CB-CE2 3.67Å; A719-F723 HydrophobicContact CB-CZ 3.98Å
720	T	68.1	Low	68.5	Low	116 Å²	116	48.3 Å²	48.3	71%	0.712	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	29.7	175.7	57.7	0	0	0	0	115.5	S716	S716-T720 PolarHBondContact O-N 3.42Å
721	N	71.6	Confident	67.8	Low	56 Å²	56	53.5 Å²	53.5	30%	0.299	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	163.8	-171.5	-162	-6.4	0	0	0	109.9	Q698 S716 A719 F723	Q698-N721 PolarHBondContact NE2-ND2 3.25Å; Q698-N721 PolarHBondContact OE1-ND2 3.4Å; S716-N721 WeakPolarHBondContact CB-O 3.03Å; S716-N721 PolarHBondContact N-O 3.37Å; A719-N721 WeakPolarHBondContact O-CB 3.35Å; A719-N721 PolarHBondContact O-N 2.76Å; N721-F723 HydrophobicContact CB-CE2 3.94Å; N721-F723 HydrophobicContact CB-CZ 4.22Å; N721-F723 WeakPolarHBondContact O-CD2 3.37Å; N721-F723 WeakPolarHBondContact O-CE2 3.23Å
722	S	77.8	Confident	67	Low	4 Å²	4	52.3 Å²	52.3	3%	0.028	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.1	-179.9	-59.7	0	0	0	0	112.2	Q698 C699 P701 T714	Q698-S722 CarbonylContact C-O 3.45Å; Q698-S722 WeakPolarHBondContact CA-O 2.98Å; C699-S722 PolarHBondContact N-O 2.9Å; C699-S722 WeakPolarHBondContact O-CB 3.25Å; P701-S722 WeakPolarHBondContact CG-OG 3.34Å; T714-S722 CarbonylContact O-C 3.42Å; T714-S722 VanDerWaalsContact O-CA 3.31Å; T714-S722 WeakPolarHBondContact O-CA 3.3Å
723	F	84.9	Confident	65.9	Low	12 Å²	12	49 Å²	49	5%	0.053	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153	-176.3	-62.6	-91.1	0	0	0	111.4	T680 P696 R697 Q698 C699 T714 A719 N721 C725	T680-F723 HydrophobicContact CG2-CB 4.02Å; T680-F723 HydrophobicContact CG2-CD1 3.84Å; T680-F723 HydrophobicContact CG2-CD2 3.97Å; T680-F723 HydrophobicContact CG2-CE1 4.27Å; T680-F723 HydrophobicContact CG2-CE2 4.42Å; T680-F723 HydrophobicContact CG2-CG 3.66Å; P696-F723 HydrophobicContact CB-CD1 3.84Å; P696-F723 HydrophobicContact CB-CE1 4.3Å; P696-F723 HydrophobicContact CG-CD1 3.98Å; P696-F723 HydrophobicContact CG-CE1 3.92Å; R697-F723 WeakPolarHBondContact O-CA 3.33Å; Q698-F723 HydrophobicContact CG-CD1 3.87Å; Q698-F723 HydrophobicContact CG-CE1 3.46Å; Q698-F723 VanDerWaalsContact CG-CE1 3.46Å; Q698-F723 HydrophobicContact CG-CZ 4.07Å; C699-F723 PolarHBondContact SG-N 3.38Å; C699-F723 VanDerWaalsContact SG-N 3.42Å; C699-F723 PolarHBondContact SG-O 3.13Å; T714-F723 PolarHBondContact N-O 3.47Å; T714-F723 PolarHBondContact O-N 3.21Å; A719-F723 HydrophobicContact CB-CE2 3.67Å; A719-F723 HydrophobicContact CB-CZ 3.98Å; N721-F723 HydrophobicContact CB-CE2 3.94Å; N721-F723 HydrophobicContact CB-CZ 4.22Å; N721-F723 WeakPolarHBondContact O-CD2 3.37Å; N721-F723 WeakPolarHBondContact O-CE2 3.23Å; F723-C725 PolarHBondContact O-N 2.95Å; F723-C725 VanDerWaalsContact O-N 3.16Å
724	C	83.2	Confident	64.6	Low	1 Å²	1	52.5 Å²	52.5	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	101.6	174.3	-66.8	0	0	0	0	110.7	A687 Y688 R697 C707 F711 F712	A687-C724 CarbonylContact C-O 3.57Å; A687-C724 WeakPolarHBondContact CA-O 3.49Å; Y688-C724 PolarHBondContact N-O 3.34Å; R697-C724 HydrophobicContact CB-CB 4.28Å; R697-C724 PolarHBondContact O-N 2.88Å; C707-C724 WeakPolarHBondContact CA-SG 3.44Å; C707-C724 HydrophobicContact CB-CB 3.71Å; C707-C724 WeakPolarHBondContact CB-SG 3.34Å; C707-C724 WeakPolarHBondContact SG-CA 3.41Å; C707-C724 WeakPolarHBondContact SG-CB 3.46Å; C707-C724 CovalentContact SG-SG 2.04Å; C707-C724 PolarHBondContact SG-SG 2.78Å; F711-C724 HydrophobicContact CB-CB 4.15Å; F712-C724 CarbonylContact O-C 3.58Å; F712-C724 WeakPolarHBondContact O-CA 3.32Å
725	C	81.6	Confident	63	Low	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.3	-178.6	-61.1	0	0	0	0	110.4	C681 Q685 S686 F712 F723	C681-C725 WeakPolarHBondContact CA-SG 3.19Å; C681-C725 HydrophobicContact CB-CB 3.72Å; C681-C725 WeakPolarHBondContact CB-SG 3.44Å; C681-C725 VanDerWaalsContact SG-CA 3.56Å; C681-C725 WeakPolarHBondContact SG-CB 3.21Å; C681-C725 CovalentContact SG-SG 2.03Å; C681-C725 PolarHBondContact SG-SG 3.14Å; Q685-C725 HydrophobicContact CB-CB 4.23Å; S686-C725 WeakPolarHBondContact O-CA 3.24Å; F712-C725 PolarHBondContact N-O 2.03Å; F712-C725 PolarHBondContact O-N 3.41Å; F723-C725 PolarHBondContact O-N 2.95Å; F723-C725 VanDerWaalsContact O-N 3.16Å
726	G	69.8	Low	61.9	Low	1 Å²	1	47.6 Å²	47.6	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.1	-177	0	0	0	0	0	111.5	S686 A728	S686-G726 PolarHBondContact N-O 2.03Å; S686-G726 PolarHBondContact O-N 3.21Å; G726-A728 PolarHBondContact O-N 2.97Å
727	T	62.6	Low	60.9	Low	46 Å²	46	54.4 Å²	54.4	28%	0.282	33%	0.334	S	S	.	.			trans	-74.1	97.1	171.1	50.6	0	0	0	0	108.8	Q685 M729	Q685-T727 HydrophobicContact CG-CG2 4.37Å; T727-M729 PolarHBondContact O-N 3.39Å
728	A	48.4	Very low	60.8	Low	42 Å²	42	52.7 Å²	52.7	35%	0.347	31%	0.312	S	S	.	.	S	Bend	trans	-62.5	103.2	163.5	0	0	0	0	0	107.8	G726	G726-A728 PolarHBondContact O-N 2.97Å
729	M	45.4	Very low	61.1	Low	137 Å²	137	51.1 Å²	51.1	68%	0.675	29%	0.294	S	S	*	.	S	Bend	trans	71	114.9	-166	-43.3	-176	-166	0	0	113.8	T727 H731	T727-M729 PolarHBondContact O-N 3.39Å; M729-H731 PolarHBondContact O-N 3.39Å; M729-H731 PolarHBondContact O-ND1 2.8Å
730	V	49.6	Very low	60.9	Low	13 Å²	13	53.5 Å²	53.5	8%	0.079	30%	0.299	C	S	.	.			trans	-70	110.6	168.5	163.3	0	0	0	0	108.7	C732 P738 P747 T767 F780	V730-C732 PolarHBondContact O-N 3.38Å; V730-P738 HydrophobicContact CG1-CB 4.3Å; V730-P747 HydrophobicContact CB-CB 4.08Å; V730-P747 HydrophobicContact CB-CG 3.98Å; V730-P747 HydrophobicContact CG2-CB 3.99Å; V730-P747 HydrophobicContact CG2-CG 3.46Å; V730-P747 VanDerWaalsContact CG2-CG 3.46Å; V730-T767 HydrophobicContact CG1-CG2 4.02Å; V730-F780 HydrophobicContact CG1-CB 3.95Å; V730-F780 HydrophobicContact CG1-CD1 4.42Å; V730-F780 HydrophobicContact CG1-CD2 4Å; V730-F780 HydrophobicContact CG1-CG 3.86Å; V730-F780 HydrophobicContact CG2-CD1 3.87Å; V730-F780 HydrophobicContact CG2-CD2 4.03Å; V730-F780 HydrophobicContact CG2-CE1 3.75Å; V730-F780 HydrophobicContact CG2-CE2 3.93Å; V730-F780 HydrophobicContact CG2-CG 4Å; V730-F780 HydrophobicContact CG2-CZ 3.78Å
731	H	45.8	Very low	60	Low	151 Å²	151	50.2 Å²	50.2	70%	0.699	28%	0.276	S	S	*	.			trans	-81.8	105	167.9	-76.7	67.8	0	0	0	108.8	M729	M729-H731 PolarHBondContact O-N 3.39Å; M729-H731 PolarHBondContact O-ND1 2.8Å
732	C	54.2	Low	58.5	Low	9 Å²	9	51.7 Å²	51.7	6%	0.061	29%	0.288	C	S	.	.			trans	-67.9	133.3	169.2	-66.3	0	0	0	0	109.8	V730 G735 G736 C782	V730-C732 PolarHBondContact O-N 3.38Å; C732-G735 PolarHBondContact O-N 3.02Å; C732-G736 VanDerWaalsContact CB-O 3.28Å; C732-G736 WeakPolarHBondContact CB-O 3.32Å; C732-C782 VanDerWaalsContact CA-SG 3.58Å; C732-C782 HydrophobicContact CB-CB 3.54Å; C732-C782 WeakPolarHBondContact CB-SG 3.39Å; C732-C782 VanDerWaalsContact SG-CA 3.53Å; C732-C782 WeakPolarHBondContact SG-CB 3.42Å; C732-C782 CovalentContact SG-SG 2.03Å; C732-C782 PolarHBondContact SG-SG 3.32Å
733	P	51.8	Low	56.5	Low	32 Å²	32	58.7 Å²	58.7	21%	0.208	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-55	144.9	174.5	19.3	-29.4	0	0	0	111.2	G735 Q765	P733-G735 PolarHBondContact O-N 2.96Å; P733-Q765 VanDerWaalsContact CD-OE1 3.24Å; P733-Q765 HydrophobicContact CG-CB 4.02Å; P733-Q765 HydrophobicContact CG-CG 4.38Å
734	Q	50.4	Low	54.4	Low	115 Å²	115	61 Å²	61	54%	0.537	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	67	14.9	179.5	-50.8	160.8	4.7	0	0	115.1	P785 L825	Q734-P785 HydrophobicContact CB-CB 4.36Å; Q734-P785 HydrophobicContact CB-CG 4.13Å; Q734-L825 HydrophobicContact CB-CD2 4.17Å; Q734-L825 HydrophobicContact CG-CD2 3.66Å; Q734-L825 VanDerWaalsContact OE1-CD2 3.26Å
735	G	43.3	Very low	52.5	Low	67 Å²	67	67.2 Å²	67.2	69%	0.691	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	78.4	29	171.1	0	0	0	0	0	114.6	C732 P733	C732-G735 PolarHBondContact O-N 3.02Å; P733-G735 PolarHBondContact O-N 2.96Å
736	G	54.6	Low	50.6	Low	12 Å²	12	68.6 Å²	68.6	12%	0.124	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-70.6	151.4	167.8	0	0	0	0	0	112	C732	C732-G736 VanDerWaalsContact CB-O 3.28Å; C732-G736 WeakPolarHBondContact CB-O 3.32Å
737	E	53.1	Low	49.9	Very low	147 Å²	147	70 Å²	70	69%	0.687	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-79.3	132.6	168	-72.1	-65.8	155.1	0	0	109.7	Y762 G783	E737-Y762 WeakPolarHBondContact O-CE1 3Å; E737-G783 PolarHBondContact O-N 2.95Å
738	P	61.8	Low	50.4	Low	22 Å²	22	71.3 Å²	71.3	14%	0.143	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-68.5	146.8	174.4	27.9	-33.5	0	0	0	111.5	V730 M740 P747	V730-P738 HydrophobicContact CG1-CB 4.3Å; P738-M740 HydrophobicContact CB-SD 4.45Å; P738-M740 HydrophobicContact CG-SD 4.06Å; P738-M740 PolarHBondContact O-N 2.96Å; P738-P747 HydrophobicContact CB-CB 3.99Å
739	Y	65.3	Low	51.4	Low	52 Å²	52	74 Å²	74	20%	0.204	39%	0.387	C	S	.	.			trans	-70	99.5	170.7	-177.4	-97.3	0	0	0	109.5	E741 P742 P747 R748 P759 Y762 C781	Y739-E741 HydrophobicContact CD1-CG 4.14Å; Y739-E741 HydrophobicContact CE1-CG 4.03Å; Y739-E741 PolarHBondContact O-N 2.04Å; Y739-P742 WeakPolarHBondContact OH-CD 3.49Å; Y739-P747 WeakPolarHBondContact O-CA 3.33Å; Y739-R748 HydrophobicContact CD1-CB 3.61Å; Y739-R748 HydrophobicContact CD1-CG 4.42Å; Y739-R748 HydrophobicContact CE1-CB 4.38Å; Y739-R748 PolarHBondContact O-N 2.04Å; Y739-P759 HydrophobicContact CD1-CG 3.93Å; Y739-P759 HydrophobicContact CD2-CB 4.29Å; Y739-P759 HydrophobicContact CD2-CG 3.76Å; Y739-P759 HydrophobicContact CE1-CG 3.78Å; Y739-P759 HydrophobicContact CE2-CB 4.07Å; Y739-P759 HydrophobicContact CE2-CG 3.64Å; Y739-P759 HydrophobicContact CG-CG 3.89Å; Y739-Y762 VanDerWaalsContact CA-CE1 3.5Å; Y739-Y762 VanDerWaalsContact CB-CD1 3.49Å; Y739-Y762 HydrophobicContact CD2-CD1 4.42Å; Y739-Y762 AromaticContact CD2-CD2 3.88Å; Y739-Y762 HydrophobicContact CD2-CD2 3.88Å; Y739-Y762 HydrophobicContact CD2-CE1 4.21Å; Y739-Y762 AromaticContact CD2-CE2 3.64Å; Y739-Y762 HydrophobicContact CD2-CE2 3.64Å; Y739-Y762 HydrophobicContact CD2-CG 4.28Å; Y739-Y762 AromaticContact CD2-CZ 3.82Å; Y739-Y762 HydrophobicContact CE2-CE2 4.46Å; Y739-Y762 HydrophobicContact CG-CD1 4.43Å; Y739-Y762 HydrophobicContact CG-CE1 4.44Å; Y739-Y762 HydrophobicContact CG-CG 4.49Å; Y739-C781 WeakPolarHBondContact CB-O 3.17Å; Y739-C781 PolarHBondContact N-O 2.91Å
740	M	55.3	Low	52.6	Low	89 Å²	89	67.9 Å²	67.9	44%	0.438	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-77.2	118.8	172.6	-58.4	-58	-80.7	0	0	109.4	P738 P742 N745 P747	P738-M740 HydrophobicContact CB-SD 4.45Å; P738-M740 HydrophobicContact CG-SD 4.06Å; P738-M740 PolarHBondContact O-N 2.96Å; M740-P742 WeakPolarHBondContact O-CD 3.46Å; M740-N745 WeakPolarHBondContact CE-O 3.41Å; M740-P747 HydrophobicContact SD-CB 4.22Å
741	E	50.4	Low	53.7	Low	47 Å²	47	70.6 Å²	70.6	22%	0.22	37%	0.374	C	S	.	.			trans	-64.9	118.6	-178.9	-70	172.1	141.9	0	0	109.7	Y739 F743 L744 N745 T746 R748	Y739-E741 HydrophobicContact CD1-CG 4.14Å; Y739-E741 HydrophobicContact CE1-CG 4.03Å; Y739-E741 PolarHBondContact O-N 2.04Å; E741-F743 PolarHBondContact O-N 3.21Å; E741-L744 HydrophobicContact CB-CB 4.07Å; E741-L744 HydrophobicContact CB-CD1 4.07Å; E741-L744 PolarHBondContact O-N 3.47Å; E741-N745 PolarHBondContact O-N 3.15Å; E741-N745 VanDerWaalsContact O-N 3.08Å; E741-T746 WeakPolarHBondContact CB-O 3.35Å; E741-T746 WeakPolarHBondContact CG-O 3.09Å; E741-T746 PolarHBondContact N-O 2.95Å; E741-T746 PolarHBondContact OE2-OG1 3.45Å; E741-R748 HydrophobicContact CG-CB 3.72Å; E741-R748 WeakPolarHBondContact OE1-CB 3.01Å; E741-R748 WeakPolarHBondContact OE1-CG 3.01Å
742	P	38.2	Very low	54.6	Low	87 Å²	87	66 Å²	66	57%	0.565	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-11.4	-161.4	-30.7	35.5	0	0	0	117.8	Y739 M740	Y739-P742 WeakPolarHBondContact OH-CD 3.49Å; M740-P742 WeakPolarHBondContact O-CD 3.46Å
743	F	36.1	Very low	54.9	Low	151 Å²	151	69.8 Å²	69.8	66%	0.662	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	-17.4	-177.8	-48.3	-76.2	0	0	0	113.4	P538 E741	P538-F743 WeakPolarHBondContact O-CB 3.32Å; E741-F743 PolarHBondContact O-N 3.21Å
744	L	41.2	Very low	55.5	Low	61 Å²	61	72 Å²	72	32%	0.319	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-22.2	-178.6	-74.9	134.8	0	0	0	113.6	P538 E741 T746	P538-L744 HydrophobicContact CB-CD2 3.4Å; P538-L744 VanDerWaalsContact CB-CD2 3.4Å; P538-L744 HydrophobicContact CB-CG 3.72Å; P538-L744 HydrophobicContact CG-CD2 3.97Å; E741-L744 HydrophobicContact CB-CB 4.07Å; E741-L744 HydrophobicContact CB-CD1 4.07Å; E741-L744 PolarHBondContact O-N 3.47Å; L744-T746 WeakPolarHBondContact CB-OG1 3.24Å; L744-T746 PolarHBondContact O-N 2.84Å
745	N	43.3	Very low	55.6	Low	130 Å²	130	70.5 Å²	70.5	70%	0.695	42%	0.418	S	S	*	.			trans	54.7	24.6	-166.4	-73.4	-21	0	0	0	113.8	M740 E741	M740-N745 WeakPolarHBondContact CE-O 3.41Å; E741-N745 PolarHBondContact O-N 3.15Å; E741-N745 VanDerWaalsContact O-N 3.08Å
746	T	42.7	Very low	56.5	Low	30 Å²	30	74.1 Å²	74.1	18%	0.184	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-100.6	145.1	172.2	38.3	0	0	0	0	111.6	Q709 E741 L744 R748	Q709-T746 HydrophobicContact CG-CG2 4.44Å; E741-T746 WeakPolarHBondContact CB-O 3.35Å; E741-T746 WeakPolarHBondContact CG-O 3.09Å; E741-T746 PolarHBondContact N-O 2.95Å; E741-T746 PolarHBondContact OE2-OG1 3.45Å; L744-T746 WeakPolarHBondContact CB-OG1 3.24Å; L744-T746 PolarHBondContact O-N 2.84Å; T746-R748 PolarHBondContact O-N 3.48Å
747	P	54.7	Low	57	Low	29 Å²	29	75 Å²	75	19%	0.188	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-70.4	122.1	169.2	28.9	-32.3	0	0	0	109.4	V730 P738 Y739 M740 Q749 F780	V730-P747 HydrophobicContact CB-CB 4.08Å; V730-P747 HydrophobicContact CB-CG 3.98Å; V730-P747 HydrophobicContact CG2-CB 3.99Å; V730-P747 HydrophobicContact CG2-CG 3.46Å; V730-P747 VanDerWaalsContact CG2-CG 3.46Å; P738-P747 HydrophobicContact CB-CB 3.99Å; Y739-P747 WeakPolarHBondContact O-CA 3.33Å; M740-P747 HydrophobicContact SD-CB 4.22Å; P747-Q749 PolarHBondContact O-N 2.97Å; P747-F780 HydrophobicContact CB-CD1 4.06Å; P747-F780 HydrophobicContact CG-CD1 4.13Å; P747-F780 HydrophobicContact CG-CE1 4.15Å
748	R	73.1	Confident	57.7	Low	75 Å²	75	68.8 Å²	68.8	28%	0.283	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-61.7	129.2	-176.9	176.1	167.4	165.2	155.4	-4.1	111.8	Y739 E741 T746 T757 F780 C781	Y739-R748 HydrophobicContact CD1-CB 3.61Å; Y739-R748 HydrophobicContact CD1-CG 4.42Å; Y739-R748 HydrophobicContact CE1-CB 4.38Å; Y739-R748 PolarHBondContact O-N 2.04Å; E741-R748 HydrophobicContact CG-CB 3.72Å; E741-R748 WeakPolarHBondContact OE1-CB 3.01Å; E741-R748 WeakPolarHBondContact OE1-CG 3.01Å; T746-R748 PolarHBondContact O-N 3.48Å; R748-T757 VanDerWaalsContact CZ-O 3.25Å; R748-T757 PolarHBondContact NE-O 2.97Å; R748-T757 PolarHBondContact NH2-O 3.12Å; R748-F780 CarbonylContact O-C 3.59Å; R748-F780 WeakPolarHBondContact O-CA 3.4Å; R748-C781 HydrophobicContact CB-CB 4.21Å; R748-C781 HydrophobicContact CG-CB 4.41Å; R748-C781 PolarHBondContact O-N 2.78Å
749	Q	69.9	Low	57.8	Low	98 Å²	98	69.1 Å²	69.1	46%	0.458	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	156.9	173.3	-67.7	179.9	2.1	0	0	111.8	P747 G779 F780	P747-Q749 PolarHBondContact O-N 2.97Å; Q749-G779 WeakPolarHBondContact CA-O 3.46Å; Q749-F780 HydrophobicContact CG-CD1 4.06Å; Q749-F780 HydrophobicContact CG-CE1 3.77Å
750	C	70.8	Confident	57.4	Low	8 Å²	8	70.2 Å²	70.2	5%	0.054	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.6	176.9	56.5	0	0	0	0	110.6	T757 C764 G779 F780	C750-T757 HydrophobicContact CB-CG2 4.44Å; C750-C764 HydrophobicContact CB-CB 3.77Å; C750-C764 WeakPolarHBondContact CB-SG 3.4Å; C750-C764 WeakPolarHBondContact SG-CA 3.31Å; C750-C764 WeakPolarHBondContact SG-CB 3.48Å; C750-C764 CovalentContact SG-SG 2.03Å; C750-C764 PolarHBondContact SG-SG 2.84Å; C750-G779 PolarHBondContact N-O 3.34Å; C750-G779 PolarHBondContact O-N 3.4Å; C750-G779 PolarHBondContact SG-O 2.84Å; C750-F780 PolarHBondContact SG-N 3.03Å
751	T	71.5	Confident	57.5	Low	70 Å²	70	71.9 Å²	71.9	43%	0.429	43%	0.43	S	S	.	.			trans	-92.9	122	169.6	-49.7	0	0	0	0	108.7	G753 V754	T751-G753 PolarHBondContact O-N 3.29Å; T751-V754 HydrophobicContact CG2-CG2 3.66Å; T751-V754 PolarHBondContact O-N 2.82Å; T751-V754 VanDerWaalsContact O-N 3.14Å
752	P	65.2	Low	58.4	Low	54 Å²	54	73.1 Å²	73.1	35%	0.351	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	137.2	174.9	-26.4	35.8	0	0	0	111.5	V754 T766	P752-V754 VanDerWaalsContact C-N 3.26Å; P752-V754 PolarHBondContact O-N 3.41Å; P752-T766 HydrophobicContact CG-CG2 3.61Å
753	G	59.8	Low	59.9	Low	90 Å²	90	70 Å²	70	93%	0.928	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-11.1	-177.6	0	0	0	0	0	116.2	T751	T751-G753 PolarHBondContact O-N 3.29Å
754	V	63.9	Low	61.8	Low	79 Å²	79	64.7 Å²	64.7	48%	0.479	40%	0.396	S	S	.	.			trans	-92.5	119.8	179	-176	0	0	0	0	110.9	T751 P752 T757	T751-V754 HydrophobicContact CG2-CG2 3.66Å; T751-V754 PolarHBondContact O-N 2.82Å; T751-V754 VanDerWaalsContact O-N 3.14Å; P752-V754 VanDerWaalsContact C-N 3.26Å; P752-V754 PolarHBondContact O-N 3.41Å; V754-T757 HydrophobicContact CB-CG2 3.73Å; V754-T757 HydrophobicContact CG1-CG2 3.78Å; V754-T757 VanDerWaalsContact O-CG2 3.27Å; V754-T757 WeakPolarHBondContact O-CG2 3.27Å; V754-T757 PolarHBondContact O-OG1 2.86Å
755	A	53.7	Low	63.2	Low	82 Å²	82	63.2 Å²	63.2	68%	0.678	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	155.2	179.2	0	0	0	0	0	112.9	T757	A755-T757 PolarHBondContact O-N 3.49Å
756	N	61.9	Low	64.3	Low	143 Å²	143	59.9 Å²	59.9	77%	0.765	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	9.8	178.9	-55.7	-25.8	0	0	0	115.9	C758	N756-C758 VanDerWaalsContact C-N 3.28Å; N756-C758 PolarHBondContact O-N 2.89Å
757	T	64.6	Low	64.7	Low	30 Å²	30	60.7 Å²	60.7	18%	0.184	38%	0.377	C	S	.	.	S	Bend	trans	-65.8	-29.1	173.7	46.7	0	0	0	0	112.9	R748 C750 V754 A755	R748-T757 VanDerWaalsContact CZ-O 3.25Å; R748-T757 PolarHBondContact NE-O 2.97Å; R748-T757 PolarHBondContact NH2-O 3.12Å; C750-T757 HydrophobicContact CB-CG2 4.44Å; V754-T757 HydrophobicContact CB-CG2 3.73Å; V754-T757 HydrophobicContact CG1-CG2 3.78Å; V754-T757 VanDerWaalsContact O-CG2 3.27Å; V754-T757 WeakPolarHBondContact O-CG2 3.27Å; V754-T757 PolarHBondContact O-OG1 2.86Å; A755-T757 PolarHBondContact O-N 3.49Å
758	C	67.5	Low	64.5	Low	18 Å²	18	64.8 Å²	64.8	12%	0.122	40%	0.397	C	S	.	.	S	Bend	trans	-112.7	153.2	179.2	-64.9	0	0	0	0	113.8	N756 Y762 C781	N756-C758 VanDerWaalsContact C-N 3.28Å; N756-C758 PolarHBondContact O-N 2.89Å; C758-Y762 VanDerWaalsContact CB-O 3.23Å; C758-Y762 WeakPolarHBondContact CB-O 3.31Å; C758-C781 WeakPolarHBondContact CA-SG 3.35Å; C758-C781 HydrophobicContact CB-CB 3.76Å; C758-C781 WeakPolarHBondContact CB-SG 3.47Å; C758-C781 WeakPolarHBondContact SG-CA 3.42Å; C758-C781 WeakPolarHBondContact SG-CB 3.35Å; C758-C781 CovalentContact SG-SG 2.04Å; C758-C781 PolarHBondContact SG-SG 2.91Å
759	P	65.7	Low	62.9	Low	28 Å²	28	69.8 Å²	69.8	18%	0.182	42%	0.421	C	S	.	.			trans	-64.5	163.9	170.5	-19.7	34.4	0	0	0	112.5	Y739 N761 Y762	Y739-P759 HydrophobicContact CD1-CG 3.93Å; Y739-P759 HydrophobicContact CD2-CB 4.29Å; Y739-P759 HydrophobicContact CD2-CG 3.76Å; Y739-P759 HydrophobicContact CE1-CG 3.78Å; Y739-P759 HydrophobicContact CE2-CB 4.07Å; Y739-P759 HydrophobicContact CE2-CG 3.64Å; Y739-P759 HydrophobicContact CG-CG 3.89Å; P759-N761 PolarHBondContact O-N 3.04Å; P759-Y762 HydrophobicContact CB-CD2 4.42Å; P759-Y762 PolarHBondContact O-N 2.89Å; P759-Y762 VanDerWaalsContact O-N 3.11Å
760	A	55.4	Low	61	Low	76 Å²	76	72.6 Å²	72.6	63%	0.628	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	140.1	173.4	0	0	0	0	0	111.7	Y762	A760-Y762 VanDerWaalsContact C-N 3.27Å; A760-Y762 WeakPolarHBondContact O-CD2 3.03Å; A760-Y762 PolarHBondContact O-N 3.25Å
761	N	58	Low	58.9	Low	123 Å²	123	78.9 Å²	78.9	66%	0.658	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	8.3	-173.8	-47.4	-38.1	0	0	0	116.2	P759 T784	P759-N761 PolarHBondContact O-N 3.04Å; N761-T784 PolarHBondContact O-N 3.33Å; N761-T784 VanDerWaalsContact O-N 3.14Å
762	Y	68.9	Low	56.9	Low	73 Å²	73	79.4 Å²	79.4	29%	0.286	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133	172.6	-66.7	-98.2	0	0	0	111.1	E737 Y739 C758 P759 A760 C782 G783	E737-Y762 WeakPolarHBondContact O-CE1 3Å; Y739-Y762 VanDerWaalsContact CA-CE1 3.5Å; Y739-Y762 VanDerWaalsContact CB-CD1 3.49Å; Y739-Y762 HydrophobicContact CD2-CD1 4.42Å; Y739-Y762 AromaticContact CD2-CD2 3.88Å; Y739-Y762 HydrophobicContact CD2-CD2 3.88Å; Y739-Y762 HydrophobicContact CD2-CE1 4.21Å; Y739-Y762 AromaticContact CD2-CE2 3.64Å; Y739-Y762 HydrophobicContact CD2-CE2 3.64Å; Y739-Y762 HydrophobicContact CD2-CG 4.28Å; Y739-Y762 AromaticContact CD2-CZ 3.82Å; Y739-Y762 HydrophobicContact CE2-CE2 4.46Å; Y739-Y762 HydrophobicContact CG-CD1 4.43Å; Y739-Y762 HydrophobicContact CG-CE1 4.44Å; Y739-Y762 HydrophobicContact CG-CG 4.49Å; C758-Y762 VanDerWaalsContact CB-O 3.23Å; C758-Y762 WeakPolarHBondContact CB-O 3.31Å; P759-Y762 HydrophobicContact CB-CD2 4.42Å; P759-Y762 PolarHBondContact O-N 2.89Å; P759-Y762 VanDerWaalsContact O-N 3.11Å; A760-Y762 VanDerWaalsContact C-N 3.27Å; A760-Y762 WeakPolarHBondContact O-CD2 3.03Å; A760-Y762 PolarHBondContact O-N 3.25Å; Y762-C782 CarbonylContact C-O 3.51Å; Y762-C782 WeakPolarHBondContact CA-O 3.17Å; Y762-C782 VanDerWaalsContact CD1-C 3.44Å; Y762-G783 VanDerWaalsContact CD1-CA 3.44Å
763	A	70.4	Confident	55.3	Low	22 Å²	22	80 Å²	80	18%	0.182	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	150.5	176.8	0	0	0	0	0	110.6	Q765 C782	A763-Q765 PolarHBondContact O-N 2.7Å; A763-C782 PolarHBondContact N-O 2.77Å; A763-C782 PolarHBondContact O-N 3.24Å
764	C	76.1	Confident	53.9	Low	40 Å²	40	82.1 Å²	82.1	27%	0.27	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.5	175.2	-168.9	0	0	0	0	110.6	C750	C750-C764 HydrophobicContact CB-CB 3.77Å; C750-C764 WeakPolarHBondContact CB-SG 3.4Å; C750-C764 WeakPolarHBondContact SG-CA 3.31Å; C750-C764 WeakPolarHBondContact SG-CB 3.48Å; C750-C764 CovalentContact SG-SG 2.03Å; C750-C764 PolarHBondContact SG-SG 2.84Å
765	Q	70.6	Confident	52.6	Low	29 Å²	29	87.1 Å²	87.1	14%	0.136	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.4	-178.9	-65.8	-177.6	-14.5	0	0	110.9	P733 A763 G779 F780 C782	P733-Q765 VanDerWaalsContact CD-OE1 3.24Å; P733-Q765 HydrophobicContact CG-CB 4.02Å; P733-Q765 HydrophobicContact CG-CG 4.38Å; A763-Q765 PolarHBondContact O-N 2.7Å; Q765-G779 CarbonylContact O-C 3.46Å; Q765-G779 VanDerWaalsContact O-CA 3.24Å; Q765-G779 WeakPolarHBondContact O-CA 3.45Å; Q765-F780 PolarHBondContact N-O 2.79Å; Q765-F780 PolarHBondContact O-N 2.82Å; Q765-C782 HydrophobicContact CB-CB 4.06Å; Q765-C782 VanDerWaalsContact CD-CB 3.49Å; Q765-C782 HydrophobicContact CG-CB 3.93Å
766	T	65.9	Low	52.2	Low	60 Å²	60	84.9 Å²	84.9	37%	0.368	50%	0.504	S	S	.	.			trans	-88.1	132.6	175.4	46.7	0	0	0	0	110.8	P752 L768	P752-T766 HydrophobicContact CG-CG2 3.61Å; T766-L768 VanDerWaalsContact C-N 3.27Å; T766-L768 PolarHBondContact O-N 3.34Å
767	T	51.9	Low	51.8	Low	48 Å²	48	82 Å²	82	29%	0.294	50%	0.5	S	S	.	.			trans	-82.9	3.7	-176.7	45.7	0	0	0	0	114.6	V730 F780	V730-T767 HydrophobicContact CG1-CG2 4.02Å; T767-F780 HydrophobicContact CG2-CD2 3.65Å; T767-F780 HydrophobicContact CG2-CE2 4.01Å
768	L	49.6	Very low	51.2	Low	115 Å²	115	83.4 Å²	83.4	60%	0.602	51%	0.509	S	S	*	.			trans	-104.3	111.7	-179.8	-84.4	155	0	0	0	110.5	T766	T766-L768 VanDerWaalsContact C-N 3.27Å; T766-L768 PolarHBondContact O-N 3.34Å
769	F	39.2	Very low	51.3	Low	179 Å²	179	82.5 Å²	82.5	79%	0.785	50%	0.503	S	S	*	.			trans	-68.7	151.5	156.9	-80.7	-92.2	0	0	0	109.7	V771	F769-V771 PolarHBondContact O-N 2.88Å; F769-V771 VanDerWaalsContact O-N 3.13Å
770	N	30.4	Very low	51.8	Low	158 Å²	158	82.1 Å²	82.1	85%	0.845	50%	0.498	S	S	*	.			trans	-59.9	113.3	-170.8	-71.4	-45.8	0	0	0	113.6
771	V	26.9	Very low	52.8	Low	140 Å²	140	78.5 Å²	78.5	85%	0.848	47%	0.468	S	S	*	.	S	Bend	trans	-132.3	111.9	158.1	-174.3	0	0	0	0	107.5	F769 G773	F769-V771 PolarHBondContact O-N 2.88Å; F769-V771 VanDerWaalsContact O-N 3.13Å; V771-G773 PolarHBondContact O-N 2.88Å
772	G	28.9	Very low	53.5	Low	80 Å²	80	72.6 Å²	72.6	83%	0.825	44%	0.437	S	S	*	.	S	Bend	trans	84.7	-1.5	173.4	0	0	0	0	0	117.9	V774	G772-V774 PolarHBondContact O-N 3.35Å
773	G	32.7	Very low	53.1	Low	66 Å²	66	69.6 Å²	69.6	68%	0.68	43%	0.428	S	S	*	.	S	Bend	trans	80.6	5	167.3	0	0	0	0	0	117.3	V771	V771-G773 PolarHBondContact O-N 2.88Å
774	V	29.6	Very low	52.4	Low	135 Å²	135	71 Å²	71	82%	0.818	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-84.4	123.6	174.4	-176.5	0	0	0	0	110.1	G772	G772-V774 PolarHBondContact O-N 3.35Å
775	Q	37.8	Very low	51.3	Low	184 Å²	184	70 Å²	70	86%	0.86	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-73.9	133.5	175	-67.1	-175.1	-2.4	0	0	111.1	A777	Q775-A777 PolarHBondContact O-N 2.03Å
776	S	43.5	Very low	50.5	Low	36 Å²	36	75.5 Å²	75.5	25%	0.252	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-68.9	122.1	170.7	-174.6	0	0	0	0	110.3	T778	S776-T778 WeakPolarHBondContact CB-O 3.38Å; S776-T778 PolarHBondContact O-N 3.48Å; S776-T778 VanDerWaalsContact O-N 3.14Å; S776-T778 PolarHBondContact OG-N 3.14Å; S776-T778 PolarHBondContact OG-O 2.81Å
777	A	53.8	Low	50.4	Low	82 Å²	82	73 Å²	73	68%	0.678	44%	0.442	S	S	*	.	S	Bend	trans	-65	-12.7	176.1	0	0	0	0	0	113.5	Q775	Q775-A777 PolarHBondContact O-N 2.03Å
778	T	52.8	Low	51.1	Low	59 Å²	59	71.2 Å²	71.2	36%	0.362	43%	0.432	S	S	.	.			trans	-129.1	145.9	177.5	54	0	0	0	0	111.7	S776	S776-T778 WeakPolarHBondContact CB-O 3.38Å; S776-T778 PolarHBondContact O-N 3.48Å; S776-T778 VanDerWaalsContact O-N 3.14Å; S776-T778 PolarHBondContact OG-N 3.14Å; S776-T778 PolarHBondContact OG-O 2.81Å
779	G	68.9	Low	51.8	Low	0 Å²	0	67.9 Å²	67.9	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-171.2	165.6	0	0	0	0	0	110.7	Q749 C750 Q765	Q749-G779 WeakPolarHBondContact CA-O 3.46Å; C750-G779 PolarHBondContact N-O 3.34Å; C750-G779 PolarHBondContact O-N 3.4Å; C750-G779 PolarHBondContact SG-O 2.84Å; Q765-G779 CarbonylContact O-C 3.46Å; Q765-G779 VanDerWaalsContact O-CA 3.24Å; Q765-G779 WeakPolarHBondContact O-CA 3.45Å
780	F	75.8	Confident	52.4	Low	19 Å²	19	64.4 Å²	64.4	8%	0.083	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.7	176.7	-62.5	-87.3	0	0	0	111.2	V730 P747 R748 Q749 C750 Q765 T767 C782	V730-F780 HydrophobicContact CG1-CB 3.95Å; V730-F780 HydrophobicContact CG1-CD1 4.42Å; V730-F780 HydrophobicContact CG1-CD2 4Å; V730-F780 HydrophobicContact CG1-CG 3.86Å; V730-F780 HydrophobicContact CG2-CD1 3.87Å; V730-F780 HydrophobicContact CG2-CD2 4.03Å; V730-F780 HydrophobicContact CG2-CE1 3.75Å; V730-F780 HydrophobicContact CG2-CE2 3.93Å; V730-F780 HydrophobicContact CG2-CG 4Å; V730-F780 HydrophobicContact CG2-CZ 3.78Å; P747-F780 HydrophobicContact CB-CD1 4.06Å; P747-F780 HydrophobicContact CG-CD1 4.13Å; P747-F780 HydrophobicContact CG-CE1 4.15Å; R748-F780 CarbonylContact O-C 3.59Å; R748-F780 WeakPolarHBondContact O-CA 3.4Å; Q749-F780 HydrophobicContact CG-CD1 4.06Å; Q749-F780 HydrophobicContact CG-CE1 3.77Å; C750-F780 PolarHBondContact SG-N 3.03Å; Q765-F780 PolarHBondContact N-O 2.79Å; Q765-F780 PolarHBondContact O-N 2.82Å; T767-F780 HydrophobicContact CG2-CD2 3.65Å; T767-F780 HydrophobicContact CG2-CE2 4.01Å; F780-C782 PolarHBondContact O-N 3.06Å
781	C	77.2	Confident	53.7	Low	0 Å²	0	64.4 Å²	64.4	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	104.4	173.7	-65.6	0	0	0	0	109.4	Y739 R748 C758	Y739-C781 WeakPolarHBondContact CB-O 3.17Å; Y739-C781 PolarHBondContact N-O 2.91Å; R748-C781 HydrophobicContact CB-CB 4.21Å; R748-C781 HydrophobicContact CG-CB 4.41Å; R748-C781 PolarHBondContact O-N 2.78Å; C758-C781 WeakPolarHBondContact CA-SG 3.35Å; C758-C781 HydrophobicContact CB-CB 3.76Å; C758-C781 WeakPolarHBondContact CB-SG 3.47Å; C758-C781 WeakPolarHBondContact SG-CA 3.42Å; C758-C781 WeakPolarHBondContact SG-CB 3.35Å; C758-C781 CovalentContact SG-SG 2.04Å; C758-C781 PolarHBondContact SG-SG 2.91Å
782	C	72	Confident	55.6	Low	0 Å²	0	61.2 Å²	61.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.5	-175.5	-76.3	0	0	0	0	110.2	C732 Y762 A763 Q765 F780 T784	C732-C782 VanDerWaalsContact CA-SG 3.58Å; C732-C782 HydrophobicContact CB-CB 3.54Å; C732-C782 WeakPolarHBondContact CB-SG 3.39Å; C732-C782 VanDerWaalsContact SG-CA 3.53Å; C732-C782 WeakPolarHBondContact SG-CB 3.42Å; C732-C782 CovalentContact SG-SG 2.03Å; C732-C782 PolarHBondContact SG-SG 3.32Å; Y762-C782 CarbonylContact C-O 3.51Å; Y762-C782 WeakPolarHBondContact CA-O 3.17Å; Y762-C782 VanDerWaalsContact CD1-C 3.44Å; A763-C782 PolarHBondContact N-O 2.77Å; A763-C782 PolarHBondContact O-N 3.24Å; Q765-C782 HydrophobicContact CB-CB 4.06Å; Q765-C782 VanDerWaalsContact CD-CB 3.49Å; Q765-C782 HydrophobicContact CG-CB 3.93Å; F780-C782 PolarHBondContact O-N 3.06Å; C782-T784 PolarHBondContact O-N 2.79Å
783	G	62.2	Low	57.1	Low	9 Å²	9	59 Å²	59	9%	0.093	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	137.1	179.9	0	0	0	0	0	109.1	E737 Y762	E737-G783 PolarHBondContact O-N 2.95Å; Y762-G783 VanDerWaalsContact CD1-CA 3.44Å
784	T	55.6	Low	58.7	Low	51 Å²	51	57.7 Å²	57.7	31%	0.313	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-52.1	128.3	177.1	51.1	0	0	0	0	109.1	N761 C782	N761-T784 PolarHBondContact O-N 3.33Å; N761-T784 VanDerWaalsContact O-N 3.14Å; C782-T784 PolarHBondContact O-N 2.79Å
785	P	51.5	Low	60.8	Low	19 Å²	19	53.4 Å²	53.4	12%	0.123	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-52.2	160.2	177.2	-26.4	33.4	0	0	0	111.5	Q734 V787	Q734-P785 HydrophobicContact CB-CB 4.36Å; Q734-P785 HydrophobicContact CB-CG 4.13Å; P785-V787 HydrophobicContact CB-CG1 4.49Å; P785-V787 PolarHBondContact O-N 2.85Å
786	N	53.8	Low	61.7	Low	145 Å²	145	47.8 Å²	47.8	78%	0.775	28%	0.282	S	S	*	.			trans	-68.7	72.8	171.4	-74.7	-52.9	0	0	0	110.4	C788 N822	N786-C788 VanDerWaalsContact C-N 3.27Å; N786-C788 PolarHBondContact O-N 3.31Å; N786-N822 PolarHBondContact O-ND2 3.36Å
787	V	65.2	Low	62	Low	8 Å²	8	51.3 Å²	51.3	5%	0.048	30%	0.295	C	S	.	.			trans	-66.1	-31	-179.5	-74.8	0	0	0	0	111.7	P785 P794 P801 L825 Y829	P785-V787 HydrophobicContact CB-CG1 4.49Å; P785-V787 PolarHBondContact O-N 2.85Å; V787-P794 HydrophobicContact CG2-CB 3.78Å; V787-P794 HydrophobicContact CG2-CG 3.94Å; V787-P801 HydrophobicContact CG1-CB 4.49Å; V787-P801 HydrophobicContact CG1-CG 4.4Å; V787-P801 HydrophobicContact CG2-CB 4.09Å; V787-P801 HydrophobicContact CG2-CG 4.23Å; V787-L825 HydrophobicContact CG1-CD1 4.17Å; V787-Y829 HydrophobicContact CB-CD1 4.25Å; V787-Y829 HydrophobicContact CB-CD2 3.65Å; V787-Y829 HydrophobicContact CB-CE1 4.47Å; V787-Y829 HydrophobicContact CB-CE2 3.9Å; V787-Y829 HydrophobicContact CB-CG 3.84Å; V787-Y829 HydrophobicContact CG1-CD1 4.32Å; V787-Y829 HydrophobicContact CG1-CD2 4.08Å; V787-Y829 HydrophobicContact CG1-CE1 4.06Å; V787-Y829 HydrophobicContact CG1-CE2 3.8Å; V787-Y829 HydrophobicContact CG1-CG 4.33Å; V787-Y829 WeakPolarHBondContact O-CD2 3.34Å
788	C	66	Low	61.6	Low	11 Å²	11	54.7 Å²	54.7	7%	0.074	30%	0.301	C	S	.	.	S	Bend	trans	-102	154.4	174.6	-63.3	0	0	0	0	111.7	N786 P794 C831	N786-C788 VanDerWaalsContact C-N 3.27Å; N786-C788 PolarHBondContact O-N 3.31Å; C788-P794 WeakPolarHBondContact SG-CA 3.41Å; C788-P794 VanDerWaalsContact SG-N 3.42Å; C788-C831 VanDerWaalsContact CA-SG 3.51Å; C788-C831 HydrophobicContact CB-CB 3.8Å; C788-C831 WeakPolarHBondContact CB-SG 3.07Å; C788-C831 WeakPolarHBondContact SG-CB 3.08Å; C788-C831 CovalentContact SG-SG 2.03Å; C788-C831 PolarHBondContact SG-SG 2.9Å
789	P	63.3	Low	61.2	Low	44 Å²	44	57.2 Å²	57.2	29%	0.286	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61.6	164.5	174.5	-22	33.6	0	0	0	113.3	H791 Y792 Q820	P789-H791 PolarHBondContact O-N 3.45Å; P789-Y792 HydrophobicContact CB-CD2 4.04Å; P789-Y792 HydrophobicContact CG-CD2 4.42Å; P789-Y792 WeakPolarHBondContact O-CB 3.48Å; P789-Y792 PolarHBondContact O-N 3.44Å; P789-Q820 HydrophobicContact CG-CB 4.06Å; P789-Q820 HydrophobicContact CG-CG 4.22Å
790	P	53.6	Low	60	Low	107 Å²	107	62.8 Å²	62.8	70%	0.695	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	138.9	171	-27.3	35.5	0	0	0	112.4	Y792	P790-Y792 VanDerWaalsContact C-N 3.28Å; P790-Y792 WeakPolarHBondContact O-CD2 3.48Å; P790-Y792 PolarHBondContact O-N 2.81Å
791	H	57.5	Low	59.3	Low	157 Å²	157	62.8 Å²	62.8	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	7	-173.8	-42.2	-74.6	0	0	0	116.7	P789 S834	P789-H791 PolarHBondContact O-N 3.45Å; H791-S834 WeakPolarHBondContact O-CB 3.27Å; H791-S834 PolarHBondContact O-N 3.29Å
792	Y	66.8	Low	59.2	Low	73 Å²	73	64 Å²	64	29%	0.286	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	155.7	171.8	-69.8	-105.2	0	0	0	112.4	P789 P790 Q820 C831 I832 L833	P789-Y792 HydrophobicContact CB-CD2 4.04Å; P789-Y792 HydrophobicContact CG-CD2 4.42Å; P789-Y792 WeakPolarHBondContact O-CB 3.48Å; P789-Y792 PolarHBondContact O-N 3.44Å; P790-Y792 VanDerWaalsContact C-N 3.28Å; P790-Y792 WeakPolarHBondContact O-CD2 3.48Å; P790-Y792 PolarHBondContact O-N 2.81Å; Y792-Q820 HydrophobicContact CD1-CG 4.49Å; Y792-C831 HydrophobicContact CD1-CB 3.99Å; Y792-C831 HydrophobicContact CG-CB 4.41Å; Y792-I832 CarbonylContact C-O 3.55Å; Y792-I832 WeakPolarHBondContact CA-O 3.28Å; Y792-L833 HydrophobicContact CD1-CD2 4.36Å; Y792-L833 HydrophobicContact CD1-CG 4.24Å; Y792-L833 HydrophobicContact CD2-CD2 4.29Å; Y792-L833 HydrophobicContact CE1-CD2 3.87Å; Y792-L833 HydrophobicContact CE1-CG 3.71Å; Y792-L833 HydrophobicContact CE2-CD2 3.78Å
793	A	59.1	Low	59.7	Low	34 Å²	34	67.6 Å²	67.6	28%	0.281	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	172.3	0	0	0	0	0	110.8	C831 I832	A793-C831 CarbonylContact O-C 3.43Å; A793-C831 VanDerWaalsContact O-CA 3.3Å; A793-C831 WeakPolarHBondContact O-CA 3.36Å; A793-I832 HydrophobicContact CB-CG2 4.33Å; A793-I832 PolarHBondContact N-O 2.95Å; A793-I832 PolarHBondContact O-N 2.8Å
794	P	67.3	Low	60.7	Low	38 Å²	38	67.8 Å²	67.8	25%	0.247	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.8	-179.4	28.5	-33.4	0	0	0	113.1	V787 C788 V796 P801 C830	V787-P794 HydrophobicContact CG2-CB 3.78Å; V787-P794 HydrophobicContact CG2-CG 3.94Å; C788-P794 WeakPolarHBondContact SG-CA 3.41Å; C788-P794 VanDerWaalsContact SG-N 3.42Å; P794-V796 HydrophobicContact CB-CG2 4.42Å; P794-V796 HydrophobicContact CG-CG2 4.12Å; P794-V796 PolarHBondContact O-N 3.48Å; P794-P801 HydrophobicContact CB-CB 4.2Å; P794-C830 CarbonylContact C-O 3.55Å; P794-C830 WeakPolarHBondContact CA-O 3.5Å
795	F	72.7	Confident	61.9	Low	45 Å²	45	70.5 Å²	70.5	20%	0.197	38%	0.381	C	S	.	.			trans	-72.1	121.7	158.8	-174.6	-127.8	0	0	0	108.3	Q797 P801 V802 P814 Y817 C830	F795-Q797 HydrophobicContact CE1-CB 4.27Å; F795-P801 WeakPolarHBondContact O-CA 3.01Å; F795-V802 HydrophobicContact CD1-CB 3.73Å; F795-V802 HydrophobicContact CD1-CG1 4.21Å; F795-V802 HydrophobicContact CD1-CG2 3.45Å; F795-V802 VanDerWaalsContact CD1-CG2 3.45Å; F795-V802 HydrophobicContact CE1-CB 4.48Å; F795-V802 HydrophobicContact CE1-CG2 3.82Å; F795-V802 HydrophobicContact CG-CG2 4.37Å; F795-V802 PolarHBondContact O-N 3.3Å; F795-P814 HydrophobicContact CD1-CG 3.53Å; F795-P814 HydrophobicContact CD2-CG 4.05Å; F795-P814 HydrophobicContact CE1-CG 3.36Å; F795-P814 HydrophobicContact CE2-CG 3.89Å; F795-P814 HydrophobicContact CG-CG 3.91Å; F795-P814 HydrophobicContact CZ-CG 3.56Å; F795-Y817 HydrophobicContact CB-CD1 3.58Å; F795-Y817 HydrophobicContact CB-CD2 4.48Å; F795-Y817 HydrophobicContact CB-CE1 3.53Å; F795-Y817 HydrophobicContact CB-CE2 4.44Å; F795-Y817 HydrophobicContact CB-CG 4.08Å; F795-Y817 HydrophobicContact CD2-CD2 4.43Å; F795-Y817 HydrophobicContact CD2-CE1 4.21Å; F795-Y817 AromaticContact CD2-CE2 3.88Å; F795-Y817 HydrophobicContact CD2-CE2 3.88Å; F795-Y817 AromaticContact CD2-CZ 3.75Å; F795-Y817 HydrophobicContact CG-CD1 4.48Å; F795-Y817 HydrophobicContact CG-CE1 4.3Å; F795-Y817 HydrophobicContact CG-CE2 4.42Å; F795-C830 HydrophobicContact CB-CB 3.85Å; F795-C830 PolarHBondContact N-O 3.31Å
796	V	57.5	Low	62.8	Low	67 Å²	67	72.9 Å²	72.9	41%	0.406	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.4	-179.5	-179.6	0	0	0	0	109.2	P794 Q800	P794-V796 HydrophobicContact CB-CG2 4.42Å; P794-V796 HydrophobicContact CG-CG2 4.12Å; P794-V796 PolarHBondContact O-N 3.48Å; V796-Q800 WeakPolarHBondContact CA-O 3.06Å
797	Q	50.2	Low	63.6	Low	110 Å²	110	72 Å²	72	51%	0.514	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.9	176.8	-165.3	172.1	6.1	0	0	108.2	F795 N799 Q800 V802	F795-Q797 HydrophobicContact CE1-CB 4.27Å; Q797-N799 VanDerWaalsContact C-N 3.26Å; Q797-N799 PolarHBondContact O-N 2.04Å; Q797-Q800 PolarHBondContact N-O 2.95Å; Q797-Q800 PolarHBondContact O-N 2.98Å; Q797-Q800 VanDerWaalsContact O-O 3.09Å; Q797-V802 HydrophobicContact CB-CG2 3.56Å
798	N	44.5	Very low	63.3	Low	153 Å²	153	73.2 Å²	73.2	82%	0.818	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.8	-175.4	-56.4	-15.7	0	0	0	113.8	Q800	N798-Q800 PolarHBondContact O-N 3.43Å
799	N	43.9	Very low	62.7	Low	111 Å²	111	82.5 Å²	82.5	59%	0.594	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	20.4	-173.3	-68.7	4.2	0	0	0	115.6	Q797	Q797-N799 VanDerWaalsContact C-N 3.26Å; Q797-N799 PolarHBondContact O-N 2.04Å
800	Q	44.5	Very low	62.3	Low	118 Å²	118	86 Å²	86	55%	0.551	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.5	174.2	-66.3	-62.7	-25.6	0	0	111.5	V796 Q797 N798 V802	V796-Q800 WeakPolarHBondContact CA-O 3.06Å; Q797-Q800 PolarHBondContact N-O 2.95Å; Q797-Q800 PolarHBondContact O-N 2.98Å; Q797-Q800 VanDerWaalsContact O-O 3.09Å; N798-Q800 PolarHBondContact O-N 3.43Å; Q800-V802 PolarHBondContact O-N 3.24Å
801	P	61.1	Low	62.5	Low	18 Å²	18	85 Å²	85	12%	0.117	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	125.6	168.3	-20.7	33.5	0	0	0	110.9	V787 P794 F795 T803 Y829	V787-P801 HydrophobicContact CG1-CB 4.49Å; V787-P801 HydrophobicContact CG1-CG 4.4Å; V787-P801 HydrophobicContact CG2-CB 4.09Å; V787-P801 HydrophobicContact CG2-CG 4.23Å; P794-P801 HydrophobicContact CB-CB 4.2Å; F795-P801 WeakPolarHBondContact O-CA 3.01Å; P801-T803 PolarHBondContact O-N 3.27Å; P801-Y829 HydrophobicContact CB-CD1 3.94Å; P801-Y829 HydrophobicContact CB-CE1 4.32Å
802	V	76	Confident	63.1	Low	27 Å²	27	81.4 Å²	81.4	16%	0.164	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-73.3	121.5	-177.4	176.2	0	0	0	0	110.5	F795 Q797 Q800 Y829 C830	F795-V802 HydrophobicContact CD1-CB 3.73Å; F795-V802 HydrophobicContact CD1-CG1 4.21Å; F795-V802 HydrophobicContact CD1-CG2 3.45Å; F795-V802 VanDerWaalsContact CD1-CG2 3.45Å; F795-V802 HydrophobicContact CE1-CB 4.48Å; F795-V802 HydrophobicContact CE1-CG2 3.82Å; F795-V802 HydrophobicContact CG-CG2 4.37Å; F795-V802 PolarHBondContact O-N 3.3Å; Q797-V802 HydrophobicContact CB-CG2 3.56Å; Q800-V802 PolarHBondContact O-N 3.24Å; V802-Y829 WeakPolarHBondContact O-CA 3.33Å; V802-C830 PolarHBondContact O-N 3.05Å
803	T	81.3	Confident	63.6	Low	75 Å²	75	78.5 Å²	78.5	46%	0.46	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-77.1	156.4	174.9	49.5	0	0	0	0	111.7	P801 S828 Y829	P801-T803 PolarHBondContact O-N 3.27Å; T803-S828 CarbonylContact C-O 3.53Å; T803-S828 VanDerWaalsContact CA-O 3.27Å; T803-S828 WeakPolarHBondContact CA-O 3.19Å; T803-Y829 HydrophobicContact CG2-CD1 3.8Å; T803-Y829 HydrophobicContact CG2-CE1 3.51Å
804	C	83.5	Confident	64.4	Low	13 Å²	13	79 Å²	79	9%	0.088	45%	0.445	C	S	.	.			trans	-146.6	162.4	-178.9	61.6	0	0	0	0	111.7	V812 C819 S828 Y829	C804-V812 HydrophobicContact CB-CB 4.35Å; C804-C819 HydrophobicContact CB-CB 3.87Å; C804-C819 WeakPolarHBondContact CB-SG 3.46Å; C804-C819 WeakPolarHBondContact SG-CA 3.4Å; C804-C819 WeakPolarHBondContact SG-CB 3.32Å; C804-C819 CovalentContact SG-SG 2.03Å; C804-C819 PolarHBondContact SG-SG 3.42Å; C804-S828 PolarHBondContact N-O 3.48Å; C804-S828 WeakPolarHBondContact O-CB 3.31Å; C804-Y829 PolarHBondContact SG-N 2.59Å; C804-Y829 VanDerWaalsContact SG-N 3.41Å; C804-Y829 PolarHBondContact SG-O 3.25Å
805	I	81.7	Confident	64.6	Low	107 Å²	107	82.2 Å²	82.2	55%	0.549	48%	0.475	S	S	.	.			trans	-110.7	117.3	175.2	-60.4	172.6	0	0	0	107.2	T807 A808	I805-T807 PolarHBondContact O-N 3.35Å; I805-A808 HydrophobicContact CB-CB 3.85Å; I805-A808 HydrophobicContact CG2-CB 4.06Å; I805-A808 PolarHBondContact O-N 3.4Å
806	P	70.2	Confident	64.3	Low	70 Å²	70	82.8 Å²	82.8	46%	0.455	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-8.5	-174.6	-27.7	35.5	0	0	0	116.7	S828	P806-S828 WeakPolarHBondContact CG-OG 3.01Å
807	T	68.8	Low	65.4	Low	125 Å²	125	82.8 Å²	82.8	77%	0.767	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	5.6	-175.2	51.1	0	0	0	0	113.7	I805	I805-T807 PolarHBondContact O-N 3.35Å
808	A	60.8	Low	66.8	Low	35 Å²	35	80.6 Å²	80.6	29%	0.289	48%	0.481	S	S	.	.			trans	-88.5	129.7	-179.9	0	0	0	0	0	112.2	I805 P810	I805-A808 HydrophobicContact CB-CB 3.85Å; I805-A808 HydrophobicContact CG2-CB 4.06Å; I805-A808 PolarHBondContact O-N 3.4Å; A808-P810 CarbonylContact O-C 3.58Å
809	F	52.4	Low	68.8	Low	206 Å²	206	75.3 Å²	75.3	90%	0.904	46%	0.455	S	S	*	.	S	Bend	trans	-114.6	134.5	166.6	-91.1	-95	0	0	0	109.5
810	P	55.6	Low	70.7	Confident	117 Å²	117	72.3 Å²	72.3	76%	0.76	44%	0.438	S	S	*	.	S	Bend	cis	-66.1	157	-5.1	30.5	-36.4	0	0	0	112.4	A808 V812	A808-P810 CarbonylContact O-C 3.58Å; P810-V812 PolarHBondContact O-N 2.77Å
811	S	56.3	Low	72.2	Confident	86 Å²	86	75.3 Å²	75.3	60%	0.601	44%	0.444	S	S	*	.			trans	-65.7	127	-178.2	53.5	0	0	0	0	111.6	C813	S811-C813 PolarHBondContact O-N 3.05Å; S811-C813 VanDerWaalsContact O-N 3.15Å
812	V	70.7	Confident	72.5	Confident	81 Å²	81	75.3 Å²	75.3	49%	0.491	44%	0.443	S	S	.	.	S	Bend	trans	-64.1	-17.5	178.2	-174.8	0	0	0	0	112.6	C804 P810	C804-V812 HydrophobicContact CB-CB 4.35Å; P810-V812 PolarHBondContact O-N 2.77Å
813	C	77.2	Confident	71.8	Confident	12 Å²	12	78.5 Å²	78.5	8%	0.081	47%	0.467	C	S	.	.	S	Bend	trans	-86.4	142.2	-179.7	-57.7	0	0	0	0	113	S811 C830	S811-C813 PolarHBondContact O-N 3.05Å; S811-C813 VanDerWaalsContact O-N 3.15Å; C813-C830 WeakPolarHBondContact CA-SG 3.26Å; C813-C830 HydrophobicContact CB-CB 3.73Å; C813-C830 WeakPolarHBondContact CB-SG 3.39Å; C813-C830 WeakPolarHBondContact SG-CA 3.27Å; C813-C830 WeakPolarHBondContact SG-CB 3.48Å; C813-C830 CovalentContact SG-SG 2.04Å; C813-C830 PolarHBondContact SG-SG 2.79Å
814	P	77	Confident	70.1	Confident	46 Å²	46	82.4 Å²	82.4	30%	0.299	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-63	163.2	172	-17.6	29.3	0	0	0	112.9	F795 G816 Y817	F795-P814 HydrophobicContact CD1-CG 3.53Å; F795-P814 HydrophobicContact CD2-CG 4.05Å; F795-P814 HydrophobicContact CE1-CG 3.36Å; F795-P814 HydrophobicContact CE2-CG 3.89Å; F795-P814 HydrophobicContact CG-CG 3.91Å; F795-P814 HydrophobicContact CZ-CG 3.56Å; P814-G816 PolarHBondContact O-N 3.27Å; P814-Y817 HydrophobicContact CB-CD2 4.1Å; P814-Y817 HydrophobicContact CG-CD2 4.32Å; P814-Y817 PolarHBondContact O-N 2.03Å
815	A	69.9	Low	68.6	Low	105 Å²	105	83 Å²	83	87%	0.868	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	132.5	172.9	0	0	0	0	0	111.6
816	G	67.6	Low	67.8	Low	57 Å²	57	85.7 Å²	85.7	59%	0.588	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-15.2	-175.5	0	0	0	0	0	115.4	P814 I832	P814-G816 PolarHBondContact O-N 3.27Å; G816-I832 WeakPolarHBondContact O-CG1 3.2Å
817	Y	79.5	Confident	67.9	Low	67 Å²	67	87.2 Å²	87.2	26%	0.263	50%	0.495	S	S	.	.			trans	-99.4	142.6	176.9	-68.1	-96.3	0	0	0	112	F795 P814 I832	F795-Y817 HydrophobicContact CB-CD1 3.58Å; F795-Y817 HydrophobicContact CB-CD2 4.48Å; F795-Y817 HydrophobicContact CB-CE1 3.53Å; F795-Y817 HydrophobicContact CB-CE2 4.44Å; F795-Y817 HydrophobicContact CB-CG 4.08Å; F795-Y817 HydrophobicContact CD2-CD2 4.43Å; F795-Y817 HydrophobicContact CD2-CE1 4.21Å; F795-Y817 AromaticContact CD2-CE2 3.88Å; F795-Y817 HydrophobicContact CD2-CE2 3.88Å; F795-Y817 AromaticContact CD2-CZ 3.75Å; F795-Y817 HydrophobicContact CG-CD1 4.48Å; F795-Y817 HydrophobicContact CG-CE1 4.3Å; F795-Y817 HydrophobicContact CG-CE2 4.42Å; P814-Y817 HydrophobicContact CB-CD2 4.1Å; P814-Y817 HydrophobicContact CG-CD2 4.32Å; P814-Y817 PolarHBondContact O-N 2.03Å; Y817-I832 HydrophobicContact CD1-CB 3.63Å; Y817-I832 HydrophobicContact CD1-CG2 3.93Å; Y817-I832 HydrophobicContact CE1-CB 3.61Å; Y817-I832 HydrophobicContact CE1-CG2 3.37Å; Y817-I832 HydrophobicContact CE2-CD1 4.4Å; Y817-I832 HydrophobicContact CG-CB 4.18Å
818	T	80.3	Confident	68.5	Low	63 Å²	63	81.9 Å²	81.9	39%	0.387	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.9	179.3	59.4	0	0	0	0	110.5	Q820 C831	T818-Q820 PolarHBondContact O-N 2.89Å; T818-Q820 PolarHBondContact OG1-NE2 3.49Å; T818-C831 PolarHBondContact N-O 3.22Å; T818-C831 PolarHBondContact O-N 2.64Å; T818-C831 PolarHBondContact OG1-O 2.85Å
819	C	87.8	Confident	69.5	Low	42 Å²	42	81 Å²	81	28%	0.284	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	107.6	178.4	-173.5	0	0	0	0	110.5	C804	C804-C819 HydrophobicContact CB-CB 3.87Å; C804-C819 WeakPolarHBondContact CB-SG 3.46Å; C804-C819 WeakPolarHBondContact SG-CA 3.4Å; C804-C819 WeakPolarHBondContact SG-CB 3.32Å; C804-C819 CovalentContact SG-SG 2.03Å; C804-C819 PolarHBondContact SG-SG 3.42Å
820	Q	82.4	Confident	71.1	Confident	49 Å²	49	71.2 Å²	71.2	23%	0.229	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.9	-178	-61	-65.9	-23.4	0	0	110.5	P789 Y792 T818 S828 Y829 C831	P789-Q820 HydrophobicContact CG-CB 4.06Å; P789-Q820 HydrophobicContact CG-CG 4.22Å; Y792-Q820 HydrophobicContact CD1-CG 4.49Å; T818-Q820 PolarHBondContact O-N 2.89Å; T818-Q820 PolarHBondContact OG1-NE2 3.49Å; Q820-S828 CarbonylContact O-C 3.49Å; Q820-S828 WeakPolarHBondContact O-CA 3.34Å; Q820-S828 WeakPolarHBondContact O-CB 3.34Å; Q820-Y829 PolarHBondContact N-O 3.11Å; Q820-Y829 PolarHBondContact O-N 3.17Å; Q820-C831 HydrophobicContact CB-CB 4.12Å; Q820-C831 HydrophobicContact CG-CB 3.61Å
821	R	77.3	Confident	72.3	Confident	180 Å²	180	65.7 Å²	65.7	68%	0.679	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.3	177.8	-179.1	-178.8	-71.3	180	-4	111	S828	R821-S828 WeakPolarHBondContact CA-OG 3.42Å
822	N	67.3	Low	73.4	Confident	18 Å²	18	63.9 Å²	63.9	10%	0.096	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.6	166.2	-170	-59.2	0	0	0	110.2	N786 M824 L825 Q826 Q827 Y829	N786-N822 PolarHBondContact O-ND2 3.36Å; N822-M824 PolarHBondContact OD1-N 3.3Å; N822-L825 HydrophobicContact CB-CB 4.18Å; N822-L825 HydrophobicContact CB-CG 4.41Å; N822-L825 WeakPolarHBondContact OD1-CG 3.32Å; N822-L825 PolarHBondContact OD1-N 2.04Å; N822-Q826 PolarHBondContact O-N 2.85Å; N822-Q827 PolarHBondContact N-O 2.88Å; N822-Y829 HydrophobicContact CB-CD2 4.23Å; N822-Y829 HydrophobicContact CB-CE2 4.01Å
823	S	61	Low	73.1	Confident	95 Å²	95	64.7 Å²	64.7	66%	0.664	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-28.2	-177.6	48.1	0	0	0	0	114.2	Q826	S823-Q826 PolarHBondContact O-NE2 2.98Å
824	M	45.3	Very low	72.1	Confident	156 Å²	156	66.5 Å²	66.5	77%	0.768	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-29.6	177.1	-66	-150.6	-70.1	0	0	112.6	N822	N822-M824 PolarHBondContact OD1-N 3.3Å
825	L	50.9	Low	70.9	Confident	27 Å²	27	68.8 Å²	68.8	14%	0.141	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-8.4	-176.1	-54.6	-174.1	0	0	0	114.3	Q734 V787 N822 Q827 Y829	Q734-L825 HydrophobicContact CB-CD2 4.17Å; Q734-L825 HydrophobicContact CG-CD2 3.66Å; Q734-L825 VanDerWaalsContact OE1-CD2 3.26Å; V787-L825 HydrophobicContact CG1-CD1 4.17Å; N822-L825 HydrophobicContact CB-CB 4.18Å; N822-L825 HydrophobicContact CB-CG 4.41Å; N822-L825 WeakPolarHBondContact OD1-CG 3.32Å; N822-L825 PolarHBondContact OD1-N 2.04Å; L825-Q827 HydrophobicContact CB-CB 4.49Å; L825-Q827 PolarHBondContact O-N 2.88Å; L825-Y829 HydrophobicContact CD1-CE2 4.07Å
826	Q	65.7	Low	70	Confident	162 Å²	162	71 Å²	71	76%	0.757	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	23.4	-173.9	-60.4	-63.5	-42.9	0	0	113.8	N822 S823	N822-Q826 PolarHBondContact O-N 2.85Å; S823-Q826 PolarHBondContact O-NE2 2.98Å
827	Q	71.5	Confident	69	Low	103 Å²	103	70.8 Å²	70.8	48%	0.481	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.1	-179.1	-71	-179.2	11.1	0	0	109.8	N822 L825 Y829	N822-Q827 PolarHBondContact N-O 2.88Å; L825-Q827 HydrophobicContact CB-CB 4.49Å; L825-Q827 PolarHBondContact O-N 2.88Å; Q827-Y829 HydrophobicContact CB-CE2 4Å; Q827-Y829 PolarHBondContact OE1-OH 2.97Å
828	S	81.4	Confident	67.8	Low	12 Å²	12	76.1 Å²	76.1	8%	0.084	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146	176.2	-49.4	0	0	0	0	110.3	T803 C804 P806 Q820 R821	T803-S828 CarbonylContact C-O 3.53Å; T803-S828 VanDerWaalsContact CA-O 3.27Å; T803-S828 WeakPolarHBondContact CA-O 3.19Å; C804-S828 PolarHBondContact N-O 3.48Å; C804-S828 WeakPolarHBondContact O-CB 3.31Å; P806-S828 WeakPolarHBondContact CG-OG 3.01Å; Q820-S828 CarbonylContact O-C 3.49Å; Q820-S828 WeakPolarHBondContact O-CA 3.34Å; Q820-S828 WeakPolarHBondContact O-CB 3.34Å; R821-S828 WeakPolarHBondContact CA-OG 3.42Å
829	Y	83.3	Confident	67.1	Low	18 Å²	18	76.2 Å²	76.2	7%	0.071	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.9	-172.8	-58.3	-86.5	0	0	0	111.7	V787 P801 V802 T803 C804 Q820 N822 L825 Q827 C831	V787-Y829 HydrophobicContact CB-CD1 4.25Å; V787-Y829 HydrophobicContact CB-CD2 3.65Å; V787-Y829 HydrophobicContact CB-CE1 4.47Å; V787-Y829 HydrophobicContact CB-CE2 3.9Å; V787-Y829 HydrophobicContact CB-CG 3.84Å; V787-Y829 HydrophobicContact CG1-CD1 4.32Å; V787-Y829 HydrophobicContact CG1-CD2 4.08Å; V787-Y829 HydrophobicContact CG1-CE1 4.06Å; V787-Y829 HydrophobicContact CG1-CE2 3.8Å; V787-Y829 HydrophobicContact CG1-CG 4.33Å; V787-Y829 WeakPolarHBondContact O-CD2 3.34Å; P801-Y829 HydrophobicContact CB-CD1 3.94Å; P801-Y829 HydrophobicContact CB-CE1 4.32Å; V802-Y829 WeakPolarHBondContact O-CA 3.33Å; T803-Y829 HydrophobicContact CG2-CD1 3.8Å; T803-Y829 HydrophobicContact CG2-CE1 3.51Å; C804-Y829 PolarHBondContact SG-N 2.59Å; C804-Y829 VanDerWaalsContact SG-N 3.41Å; C804-Y829 PolarHBondContact SG-O 3.25Å; Q820-Y829 PolarHBondContact N-O 3.11Å; Q820-Y829 PolarHBondContact O-N 3.17Å; N822-Y829 HydrophobicContact CB-CD2 4.23Å; N822-Y829 HydrophobicContact CB-CE2 4.01Å; L825-Y829 HydrophobicContact CD1-CE2 4.07Å; Q827-Y829 HydrophobicContact CB-CE2 4Å; Q827-Y829 PolarHBondContact OE1-OH 2.97Å; Y829-C831 PolarHBondContact O-N 3.49Å; Y829-C831 PolarHBondContact O-SG 2.93Å; Y829-C831 VanDerWaalsContact O-SG 3.38Å
830	C	84.7	Confident	66.1	Low	0 Å²	0	75 Å²	75	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.9	174.6	-65.3	0	0	0	0	110.5	P794 F795 V802 C813	P794-C830 CarbonylContact C-O 3.55Å; P794-C830 WeakPolarHBondContact CA-O 3.5Å; F795-C830 HydrophobicContact CB-CB 3.85Å; F795-C830 PolarHBondContact N-O 3.31Å; V802-C830 PolarHBondContact O-N 3.05Å; C813-C830 WeakPolarHBondContact CA-SG 3.26Å; C813-C830 HydrophobicContact CB-CB 3.73Å; C813-C830 WeakPolarHBondContact CB-SG 3.39Å; C813-C830 WeakPolarHBondContact SG-CA 3.27Å; C813-C830 WeakPolarHBondContact SG-CB 3.48Å; C813-C830 CovalentContact SG-SG 2.04Å; C813-C830 PolarHBondContact SG-SG 2.79Å
831	C	80.9	Confident	65.8	Low	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.2	-168.4	-62.5	0	0	0	0	112.4	C788 Y792 A793 T818 Q820 Y829	C788-C831 VanDerWaalsContact CA-SG 3.51Å; C788-C831 HydrophobicContact CB-CB 3.8Å; C788-C831 WeakPolarHBondContact CB-SG 3.07Å; C788-C831 WeakPolarHBondContact SG-CB 3.08Å; C788-C831 CovalentContact SG-SG 2.03Å; C788-C831 PolarHBondContact SG-SG 2.9Å; Y792-C831 HydrophobicContact CD1-CB 3.99Å; Y792-C831 HydrophobicContact CG-CB 4.41Å; A793-C831 CarbonylContact O-C 3.43Å; A793-C831 VanDerWaalsContact O-CA 3.3Å; A793-C831 WeakPolarHBondContact O-CA 3.36Å; T818-C831 PolarHBondContact N-O 3.22Å; T818-C831 PolarHBondContact O-N 2.64Å; T818-C831 PolarHBondContact OG1-O 2.85Å; Q820-C831 HydrophobicContact CB-CB 4.12Å; Q820-C831 HydrophobicContact CG-CB 3.61Å; Y829-C831 PolarHBondContact O-N 3.49Å; Y829-C831 PolarHBondContact O-SG 2.93Å; Y829-C831 VanDerWaalsContact O-SG 3.38Å
832	I	79.6	Confident	65.4	Low	48 Å²	48	70.4 Å²	70.4	25%	0.246	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.5	178.4	-170.6	162.8	0	0	0	111.6	Y792 A793 G816 Y817 S834	Y792-I832 CarbonylContact C-O 3.55Å; Y792-I832 WeakPolarHBondContact CA-O 3.28Å; A793-I832 HydrophobicContact CB-CG2 4.33Å; A793-I832 PolarHBondContact N-O 2.95Å; A793-I832 PolarHBondContact O-N 2.8Å; G816-I832 WeakPolarHBondContact O-CG1 3.2Å; Y817-I832 HydrophobicContact CD1-CB 3.63Å; Y817-I832 HydrophobicContact CD1-CG2 3.93Å; Y817-I832 HydrophobicContact CE1-CB 3.61Å; Y817-I832 HydrophobicContact CE1-CG2 3.37Å; Y817-I832 HydrophobicContact CE2-CD1 4.4Å; Y817-I832 HydrophobicContact CG-CB 4.18Å; I832-S834 PolarHBondContact O-N 3.13Å
833	L	64.4	Low	65.2	Low	99 Å²	99	78 Å²	78	52%	0.518	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.9	175.7	-80.4	161.5	0	0	0	111.4	Y792 N835	Y792-L833 HydrophobicContact CD1-CD2 4.36Å; Y792-L833 HydrophobicContact CD1-CG 4.24Å; Y792-L833 HydrophobicContact CD2-CD2 4.29Å; Y792-L833 HydrophobicContact CE1-CD2 3.87Å; Y792-L833 HydrophobicContact CE1-CG 3.71Å; Y792-L833 HydrophobicContact CE2-CD2 3.78Å; L833-N835 PolarHBondContact O-N 3.04Å
834	S	57.3	Low	65.5	Low	50 Å²	50	80.4 Å²	80.4	35%	0.35	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	56.2	-166.2	-159.7	0	0	0	0	114.2	H791 I832 A837	H791-S834 WeakPolarHBondContact O-CB 3.27Å; H791-S834 PolarHBondContact O-N 3.29Å; I832-S834 PolarHBondContact O-N 3.13Å; S834-A837 WeakPolarHBondContact OG-CB 3.3Å
835	N	50.8	Low	66.9	Low	94 Å²	94	74 Å²	74	50%	0.503	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-26.2	170.1	-84.6	-32.7	0	0	0	113.2	L833 A837 R838	L833-N835 PolarHBondContact O-N 3.04Å; N835-A837 VanDerWaalsContact C-N 3.33Å; N835-R838 VanDerWaalsContact O-CB 3.31Å; N835-R838 WeakPolarHBondContact O-CB 3.36Å; N835-R838 WeakPolarHBondContact O-CD 3.03Å; N835-R838 VanDerWaalsContact O-CG 3.22Å; N835-R838 WeakPolarHBondContact O-CG 3.43Å; N835-R838 PolarHBondContact O-N 2.87Å; N835-R838 VanDerWaalsContact OD1-CZ 3.31Å; N835-R838 PolarHBondContact OD1-NE 3.43Å; N835-R838 PolarHBondContact OD1-NH2 2.04Å
836	H	50.4	Low	68.2	Low	152 Å²	152	75 Å²	75	70%	0.704	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-74	-22.1	176	-77.4	-106.3	0	0	0	113.2	R838	H836-R838 PolarHBondContact O-N 3.44Å
837	A	47.9	Very low	68.7	Low	52 Å²	52	68.2 Å²	68.2	43%	0.43	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-64.9	-5.8	172	0	0	0	0	0	114.2	S834 N835 R849	S834-A837 WeakPolarHBondContact OG-CB 3.3Å; N835-A837 VanDerWaalsContact C-N 3.33Å; A837-R849 PolarHBondContact O-NH1 3.27Å; A837-R849 PolarHBondContact O-NH2 2.83Å
838	R	53.6	Low	68.8	Low	178 Å²	178	66.2 Å²	66.2	67%	0.672	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-73.3	-29	-179	-68.4	179.6	-174	-114.3	5.9	114.1	N835 H836 R849	N835-R838 VanDerWaalsContact O-CB 3.31Å; N835-R838 WeakPolarHBondContact O-CB 3.36Å; N835-R838 WeakPolarHBondContact O-CD 3.03Å; N835-R838 VanDerWaalsContact O-CG 3.22Å; N835-R838 WeakPolarHBondContact O-CG 3.43Å; N835-R838 PolarHBondContact O-N 2.87Å; N835-R838 VanDerWaalsContact OD1-CZ 3.31Å; N835-R838 PolarHBondContact OD1-NE 3.43Å; N835-R838 PolarHBondContact OD1-NH2 2.04Å; H836-R838 PolarHBondContact O-N 3.44Å; R838-R849 PolarHBondContact O-NH2 3.21Å
839	N	65.3	Low	68.4	Low	66 Å²	66	69.8 Å²	69.8	35%	0.353	35%	0.347	S	S	.	.			trans	-158.9	112	171.6	-167	7.9	0	0	0	112.5	C841 K845 P847	N839-C841 VanDerWaalsContact OD1-CB 3.28Å; N839-C841 WeakPolarHBondContact OD1-CB 3.32Å; N839-C841 PolarHBondContact OD1-N 2.04Å; N839-K845 PolarHBondContact ND2-O 3.34Å; N839-P847 WeakPolarHBondContact OD1-CD 3.02Å
840	P	67.2	Low	66.5	Low	17 Å²	17	72.2 Å²	72.2	11%	0.11	36%	0.364	C	S	.	.			trans	-86.1	-4.5	171.3	36.2	-36	0	0	0	113.7	P847 P854 N875 Y882	P840-P847 HydrophobicContact CG-CB 4.28Å; P840-P854 HydrophobicContact CG-CB 3.69Å; P840-P854 HydrophobicContact CG-CG 3.9Å; P840-N875 PolarHBondContact O-ND2 2.82Å; P840-Y882 HydrophobicContact CB-CD1 4.18Å; P840-Y882 HydrophobicContact CB-CD2 3.69Å; P840-Y882 HydrophobicContact CB-CE1 4.25Å; P840-Y882 HydrophobicContact CB-CE2 3.76Å; P840-Y882 HydrophobicContact CB-CG 3.9Å; P840-Y882 HydrophobicContact CG-CD1 3.75Å; P840-Y882 HydrophobicContact CG-CD2 4.07Å; P840-Y882 HydrophobicContact CG-CE1 4.11Å; P840-Y882 HydrophobicContact CG-CE2 4.39Å; P840-Y882 HydrophobicContact CG-CG 3.72Å
841	C	75.1	Confident	64.5	Low	15 Å²	15	81.9 Å²	81.9	10%	0.101	41%	0.409	C	S	.	.	S	Bend	trans	-81.8	157.5	177.7	-57.1	0	0	0	0	112	N839 K845 P847 C884	N839-C841 VanDerWaalsContact OD1-CB 3.28Å; N839-C841 WeakPolarHBondContact OD1-CB 3.32Å; N839-C841 PolarHBondContact OD1-N 2.04Å; C841-K845 HydrophobicContact CB-CB 3.7Å; C841-P847 VanDerWaalsContact SG-CA 3.51Å; C841-C884 VanDerWaalsContact CA-SG 3.58Å; C841-C884 HydrophobicContact CB-CB 3.77Å; C841-C884 WeakPolarHBondContact CB-SG 3.06Å; C841-C884 VanDerWaalsContact SG-CA 3.56Å; C841-C884 WeakPolarHBondContact SG-CB 3.36Å; C841-C884 CovalentContact SG-SG 2.03Å; C841-C884 PolarHBondContact SG-SG 2.82Å
842	E	69.4	Low	63	Low	116 Å²	116	84.4 Å²	84.4	54%	0.542	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-59	166.1	172.8	-61.4	179	123.7	0	0	112.9	N844 K845	E842-N844 PolarHBondContact O-N 3.38Å; E842-K845 HydrophobicContact CB-CD 4.31Å; E842-K845 WeakPolarHBondContact O-CB 3.38Å; E842-K845 PolarHBondContact O-N 2.79Å; E842-K845 IonicContact OE2-NZ 3.7Å; E842-K845 PolarHBondContact OE2-NZ 3.44Å
843	Q	64.3	Low	61.5	Low	177 Å²	177	84.9 Å²	84.9	83%	0.827	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	136.3	179.5	-64	-175.5	-0.1	0	0	111.7	K845	Q843-K845 VanDerWaalsContact C-N 3.28Å; Q843-K845 PolarHBondContact O-N 3.14Å
844	N	66.9	Low	61.6	Low	146 Å²	146	81.8 Å²	81.8	78%	0.781	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	12.9	-175.8	-51.3	-39.4	0	0	0	116.5	E842	E842-N844 PolarHBondContact O-N 3.38Å
845	K	74.9	Confident	62.2	Low	21 Å²	21	81.1 Å²	81.1	9%	0.091	43%	0.426	C	S	.	.			trans	-110.8	146.7	169.4	-61.9	176.8	-173.8	170.5	0	112.2	N839 C841 E842 Q843 D873 C884 S885 F886	N839-K845 PolarHBondContact ND2-O 3.34Å; C841-K845 HydrophobicContact CB-CB 3.7Å; E842-K845 HydrophobicContact CB-CD 4.31Å; E842-K845 WeakPolarHBondContact O-CB 3.38Å; E842-K845 PolarHBondContact O-N 2.79Å; E842-K845 IonicContact OE2-NZ 3.7Å; E842-K845 PolarHBondContact OE2-NZ 3.44Å; Q843-K845 VanDerWaalsContact C-N 3.28Å; Q843-K845 PolarHBondContact O-N 3.14Å; K845-D873 WeakPolarHBondContact CD-OD2 3.35Å; K845-D873 WeakPolarHBondContact CE-OD2 3.34Å; K845-D873 IonicContact NZ-OD2 2.67Å; K845-D873 PolarHBondContact NZ-OD2 2.84Å; K845-C884 HydrophobicContact CB-CB 4.28Å; K845-C884 HydrophobicContact CD-CB 4.18Å; K845-S885 CarbonylContact C-O 3.48Å; K845-S885 VanDerWaalsContact CA-O 3.22Å; K845-S885 WeakPolarHBondContact CA-O 3.01Å; K845-F886 HydrophobicContact CD-CE1 4.31Å; K845-F886 HydrophobicContact CD-CZ 4.25Å; K845-F886 HydrophobicContact CG-CD1 3.79Å; K845-F886 HydrophobicContact CG-CE1 3.77Å; K845-F886 HydrophobicContact CG-CG 4.22Å; K845-F886 HydrophobicContact CG-CZ 4.18Å
846	T	77.3	Confident	63.2	Low	50 Å²	50	80.9 Å²	80.9	31%	0.307	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143	174.5	53.9	0	0	0	0	111.2	C884 S885	T846-C884 CarbonylContact O-C 3.55Å; T846-C884 WeakPolarHBondContact O-CA 3.28Å; T846-S885 PolarHBondContact N-O 3.16Å; T846-S885 PolarHBondContact O-N 2.88Å; T846-S885 PolarHBondContact OG1-O 3.27Å
847	P	75.8	Confident	64.2	Low	19 Å²	19	74.1 Å²	74.1	12%	0.123	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.6	-179.1	33	-30.8	0	0	0	111.2	N839 P840 C841 R849 P854 C883	N839-P847 WeakPolarHBondContact OD1-CD 3.02Å; P840-P847 HydrophobicContact CG-CB 4.28Å; C841-P847 VanDerWaalsContact SG-CA 3.51Å; P847-R849 HydrophobicContact CG-CG 4.25Å; P847-R849 PolarHBondContact O-N 2.84Å; P847-P854 HydrophobicContact CB-CB 4.02Å; P847-C883 CarbonylContact C-O 3.46Å; P847-C883 WeakPolarHBondContact CA-O 3.49Å
848	Y	75.1	Confident	64.8	Low	61 Å²	61	76.1 Å²	76.1	24%	0.239	40%	0.404	C	S	.	.			trans	-66.2	125.7	164.2	-176.1	-121.7	0	0	0	108.6	V850 P854 V855 P867 Y870 C883	Y848-V850 HydrophobicContact CD1-CG2 4.41Å; Y848-V850 HydrophobicContact CE1-CG2 3.65Å; Y848-P854 WeakPolarHBondContact O-CA 3Å; Y848-V855 HydrophobicContact CD1-CB 3.87Å; Y848-V855 HydrophobicContact CD1-CG1 4.35Å; Y848-V855 HydrophobicContact CD1-CG2 3.51Å; Y848-V855 HydrophobicContact CE1-CG2 3.91Å; Y848-V855 HydrophobicContact CG-CG2 4.45Å; Y848-V855 PolarHBondContact O-N 3.16Å; Y848-P867 HydrophobicContact CD1-CG 3.63Å; Y848-P867 HydrophobicContact CD2-CG 3.77Å; Y848-P867 HydrophobicContact CE1-CG 3.76Å; Y848-P867 HydrophobicContact CE2-CG 3.9Å; Y848-P867 HydrophobicContact CG-CG 3.65Å; Y848-Y870 HydrophobicContact CD2-CD2 4.49Å; Y848-Y870 HydrophobicContact CD2-CE1 4.45Å; Y848-Y870 AromaticContact CD2-CE2 3.98Å; Y848-Y870 HydrophobicContact CD2-CE2 3.98Å; Y848-Y870 AromaticContact CD2-CZ 3.95Å; Y848-Y870 HydrophobicContact CG-CE1 4.5Å; Y848-Y870 VanDerWaalsContact N-CE1 3.31Å; Y848-C883 PolarHBondContact N-O 2.99Å
849	R	71.7	Confident	64.8	Low	86 Å²	86	75 Å²	75	33%	0.325	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.2	-178.4	-70.1	-177.8	180	-89.6	-8.3	111.8	A837 R838 P847 G852 A853	A837-R849 PolarHBondContact O-NH1 3.27Å; A837-R849 PolarHBondContact O-NH2 2.83Å; R838-R849 PolarHBondContact O-NH2 3.21Å; P847-R849 HydrophobicContact CG-CG 4.25Å; P847-R849 PolarHBondContact O-N 2.84Å; R849-G852 WeakPolarHBondContact CD-O 3.41Å; R849-G852 PolarHBondContact NH1-O 2.95Å; R849-A853 CarbonylContact C-O 3.5Å; R849-A853 WeakPolarHBondContact CA-O 3.2Å
850	V	44.8	Very low	64.2	Low	70 Å²	70	75.2 Å²	75.2	42%	0.424	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.5	170	173.8	0	0	0	0	107.1	Y848 G852 A853 V855	Y848-V850 HydrophobicContact CD1-CG2 4.41Å; Y848-V850 HydrophobicContact CE1-CG2 3.65Å; V850-G852 PolarHBondContact O-N 3.42Å; V850-A853 PolarHBondContact N-O 3.08Å; V850-A853 PolarHBondContact O-N 3.43Å; V850-V855 HydrophobicContact CB-CG2 4.07Å; V850-V855 HydrophobicContact CG2-CG2 3.64Å
851	Q	41.1	Very low	63	Low	202 Å²	202	77.3 Å²	77.3	94%	0.944	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	32	-176.1	-64.2	174.7	-38.9	0	0	113.8	A853	Q851-A853 VanDerWaalsContact C-N 3.3Å; Q851-A853 PolarHBondContact O-N 2.71Å
852	G	50	Low	61.3	Low	53 Å²	53	83.3 Å²	83.3	55%	0.546	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-18	-178.3	0	0	0	0	0	115.3	R849 V850	R849-G852 WeakPolarHBondContact CD-O 3.41Å; R849-G852 PolarHBondContact NH1-O 2.95Å; V850-G852 PolarHBondContact O-N 3.42Å
853	A	48.4	Very low	59.9	Low	58 Å²	58	83.6 Å²	83.6	48%	0.479	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	141.8	175.7	0	0	0	0	0	111.7	R849 V850 Q851	R849-A853 CarbonylContact C-O 3.5Å; R849-A853 WeakPolarHBondContact CA-O 3.2Å; V850-A853 PolarHBondContact N-O 3.08Å; V850-A853 PolarHBondContact O-N 3.43Å; Q851-A853 VanDerWaalsContact C-N 3.3Å; Q851-A853 PolarHBondContact O-N 2.71Å
854	P	66.4	Low	59.1	Low	35 Å²	35	79.4 Å²	79.4	23%	0.227	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.5	175.4	32.4	-32.2	0	0	0	110.7	P840 P847 Y848 Y882	P840-P854 HydrophobicContact CG-CB 3.69Å; P840-P854 HydrophobicContact CG-CG 3.9Å; P847-P854 HydrophobicContact CB-CB 4.02Å; Y848-P854 WeakPolarHBondContact O-CA 3Å; P854-Y882 HydrophobicContact CB-CD1 4.04Å; P854-Y882 HydrophobicContact CB-CE1 4.33Å; P854-Y882 HydrophobicContact CG-CD1 4.22Å; P854-Y882 HydrophobicContact CG-CE1 4Å
855	V	69.8	Low	58.7	Low	35 Å²	35	74.3 Å²	74.3	21%	0.212	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-79.6	127.3	-174.3	175.4	0	0	0	0	111.5	Y848 V850 Y882 C883	Y848-V855 HydrophobicContact CD1-CB 3.87Å; Y848-V855 HydrophobicContact CD1-CG1 4.35Å; Y848-V855 HydrophobicContact CD1-CG2 3.51Å; Y848-V855 HydrophobicContact CE1-CG2 3.91Å; Y848-V855 HydrophobicContact CG-CG2 4.45Å; Y848-V855 PolarHBondContact O-N 3.16Å; V850-V855 HydrophobicContact CB-CG2 4.07Å; V850-V855 HydrophobicContact CG2-CG2 3.64Å; V855-Y882 WeakPolarHBondContact O-CA 3.29Å; V855-C883 HydrophobicContact CB-CB 4.43Å; V855-C883 PolarHBondContact O-N 3.07Å
856	V	71.8	Confident	58.2	Low	89 Å²	89	75.1 Å²	75.1	54%	0.539	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	144.8	174.2	175.6	0	0	0	0	110.3	F881 Y882	V856-F881 CarbonylContact C-O 3.57Å; V856-F881 VanDerWaalsContact CA-O 3.24Å; V856-F881 WeakPolarHBondContact CA-O 3.04Å; V856-F881 WeakPolarHBondContact CG1-O 3.37Å; V856-Y882 HydrophobicContact CG2-CD1 3.97Å; V856-Y882 HydrophobicContact CG2-CE1 3.56Å
857	C	70.7	Confident	57.5	Low	10 Å²	10	74.2 Å²	74.2	7%	0.068	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	-175.2	178.9	61.2	0	0	0	0	111.4	C872 F881 Y882	C857-C872 HydrophobicContact CB-CB 3.96Å; C857-C872 WeakPolarHBondContact CB-SG 3.36Å; C857-C872 WeakPolarHBondContact SG-CA 3.32Å; C857-C872 WeakPolarHBondContact SG-CB 3.3Å; C857-C872 CovalentContact SG-SG 2.03Å; C857-C872 PolarHBondContact SG-SG 3.42Å; C857-F881 PolarHBondContact N-O 3.12Å; C857-Y882 VanDerWaalsContact SG-C 3.57Å
858	T	61.3	Low	56.7	Low	94 Å²	94	79.2 Å²	79.2	58%	0.577	50%	0.498	S	S	*	.			trans	-130.2	137.8	179.6	47.1	0	0	0	0	112
859	Q	54.6	Low	56.3	Low	154 Å²	154	79.2 Å²	79.2	72%	0.72	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	135.1	179.5	-158.8	178.4	22.4	0	0	111.2	S861 F881	Q859-S861 PolarHBondContact O-N 2.83Å; Q859-F881 HydrophobicContact CB-CD1 4.24Å; Q859-F881 HydrophobicContact CB-CE1 3.7Å; Q859-F881 HydrophobicContact CB-CE2 4.05Å; Q859-F881 HydrophobicContact CB-CZ 3.62Å; Q859-F881 HydrophobicContact CG-CE1 3.76Å; Q859-F881 HydrophobicContact CG-CZ 3.94Å
860	G	52.1	Low	56.7	Low	72 Å²	72	78.4 Å²	78.4	74%	0.742	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	0.1	173.8	0	0	0	0	0	116.4	T862	G860-T862 PolarHBondContact O-N 2.97Å; G860-T862 VanDerWaalsContact O-N 3.1Å
861	S	42.7	Very low	58.2	Low	60 Å²	60	78.7 Å²	78.7	42%	0.42	52%	0.517	S	S	.	.			trans	-71.1	104.3	173.6	-171.4	0	0	0	0	111.4	Q859 V863 A864	Q859-S861 PolarHBondContact O-N 2.83Å; S861-V863 PolarHBondContact O-N 3.14Å; S861-V863 PolarHBondContact OG-O 2.78Å; S861-V863 VanDerWaalsContact OG-O 3.06Å; S861-A864 WeakPolarHBondContact CB-O 3.31Å; S861-A864 PolarHBondContact OG-O 2.97Å
862	T	39.1	Very low	60.1	Low	142 Å²	142	71.3 Å²	71.3	87%	0.871	49%	0.487	S	S	*	.	S	Bend	trans	-80.6	-2.5	174.6	52.4	0	0	0	0	113.4	G860	G860-T862 PolarHBondContact O-N 2.97Å; G860-T862 VanDerWaalsContact O-N 3.1Å
863	V	38.5	Very low	61.6	Low	122 Å²	122	69.8 Å²	69.8	74%	0.739	47%	0.466	S	S	*	.	S	Bend	trans	-139.6	105.6	174.7	-171.3	0	0	0	0	109.7	S861	S861-V863 PolarHBondContact O-N 3.14Å; S861-V863 PolarHBondContact OG-O 2.78Å; S861-V863 VanDerWaalsContact OG-O 3.06Å
864	A	47.6	Very low	62.8	Low	89 Å²	89	70.9 Å²	70.9	74%	0.736	46%	0.464	S	S	*	.	S	Bend	trans	69.6	139.5	-178.5	0	0	0	0	0	116.7	S861	S861-A864 WeakPolarHBondContact CB-O 3.31Å; S861-A864 PolarHBondContact OG-O 2.97Å
865	G	58.2	Low	63.1	Low	39 Å²	39	70.4 Å²	70.4	40%	0.402	46%	0.459	S	S	.	.	S	Bend	trans	169.1	-55.1	178.3	0	0	0	0	0	111.2	C883	G865-C883 PolarHBondContact O-SG 2.6Å
866	C	65.6	Low	62.6	Low	37 Å²	37	73 Å²	73	25%	0.25	49%	0.485	C	S	.	.	S	Bend	trans	-124.9	153.1	176.6	-62	0	0	0	0	111.9	C883	C866-C883 WeakPolarHBondContact CA-SG 3.46Å; C866-C883 HydrophobicContact CB-CB 3.77Å; C866-C883 WeakPolarHBondContact CB-SG 3.38Å; C866-C883 WeakPolarHBondContact SG-CA 3.22Å; C866-C883 WeakPolarHBondContact SG-CB 3.01Å; C866-C883 CovalentContact SG-SG 2.04Å; C866-C883 PolarHBondContact SG-SG 2.75Å
867	P	63	Low	61.8	Low	32 Å²	32	76.8 Å²	76.8	21%	0.208	50%	0.497	C	S	.	.			trans	-71.8	161.2	175.8	30.8	-35.6	0	0	0	111.9	Y848 G869 Y870	Y848-P867 HydrophobicContact CD1-CG 3.63Å; Y848-P867 HydrophobicContact CD2-CG 3.77Å; Y848-P867 HydrophobicContact CE1-CG 3.76Å; Y848-P867 HydrophobicContact CE2-CG 3.9Å; Y848-P867 HydrophobicContact CG-CG 3.65Å; P867-G869 PolarHBondContact O-N 3.31Å; P867-Y870 HydrophobicContact CG-CD2 3.73Å; P867-Y870 HydrophobicContact CG-CE2 4.31Å; P867-Y870 HydrophobicContact CG-CG 4.26Å; P867-Y870 PolarHBondContact O-N 2.89Å; P867-Y870 VanDerWaalsContact O-N 3.1Å
868	P	59.2	Low	61.3	Low	123 Å²	123	78.7 Å²	78.7	80%	0.799	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	130.2	177.1	-26.5	35.2	0	0	0	112.4
869	G	66.6	Low	61.4	Low	62 Å²	62	80.6 Å²	80.6	64%	0.639	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-1.8	-176.4	0	0	0	0	0	115.5	P867 S885	P867-G869 PolarHBondContact O-N 3.31Å; G869-S885 VanDerWaalsContact O-CB 3.25Å; G869-S885 WeakPolarHBondContact O-CB 3.31Å; G869-S885 PolarHBondContact O-OG 2.88Å
870	Y	79.8	Confident	61.6	Low	68 Å²	68	75.1 Å²	75.1	27%	0.267	50%	0.495	S	S	.	.			trans	-120.1	137.4	174.7	-67	-102	0	0	0	111.6	Y848 P867 C884 S885	Y848-Y870 HydrophobicContact CD2-CD2 4.49Å; Y848-Y870 HydrophobicContact CD2-CE1 4.45Å; Y848-Y870 AromaticContact CD2-CE2 3.98Å; Y848-Y870 HydrophobicContact CD2-CE2 3.98Å; Y848-Y870 AromaticContact CD2-CZ 3.95Å; Y848-Y870 HydrophobicContact CG-CE1 4.5Å; Y848-Y870 VanDerWaalsContact N-CE1 3.31Å; P867-Y870 HydrophobicContact CG-CD2 3.73Å; P867-Y870 HydrophobicContact CG-CE2 4.31Å; P867-Y870 HydrophobicContact CG-CG 4.26Å; P867-Y870 PolarHBondContact O-N 2.89Å; P867-Y870 VanDerWaalsContact O-N 3.1Å; Y870-C884 CarbonylContact C-O 3.54Å; Y870-C884 VanDerWaalsContact CA-O 3.23Å; Y870-C884 WeakPolarHBondContact CA-O 3Å; Y870-S885 VanDerWaalsContact CD1-CB 3.5Å
871	T	76.7	Confident	62.9	Low	76 Å²	76	73.5 Å²	73.5	47%	0.466	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	161.8	171.8	52.9	0	0	0	0	111	D873 C883 C884	T871-D873 WeakPolarHBondContact CB-OD1 3.42Å; T871-D873 PolarHBondContact OG1-OD1 2.04Å; T871-C883 CarbonylContact O-C 3.58Å; T871-C883 VanDerWaalsContact O-CA 3.3Å; T871-C883 WeakPolarHBondContact O-CA 3.06Å; T871-C884 PolarHBondContact N-O 3.18Å; T871-C884 PolarHBondContact O-N 2.84Å; T871-C884 PolarHBondContact OG1-O 3.41Å
872	C	80.6	Confident	64.7	Low	47 Å²	47	72.4 Å²	72.4	32%	0.318	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	103.2	177.9	-178	0	0	0	0	109.8	C857	C857-C872 HydrophobicContact CB-CB 3.96Å; C857-C872 WeakPolarHBondContact CB-SG 3.36Å; C857-C872 WeakPolarHBondContact SG-CA 3.32Å; C857-C872 WeakPolarHBondContact SG-CB 3.3Å; C857-C872 CovalentContact SG-SG 2.03Å; C857-C872 PolarHBondContact SG-SG 3.42Å
873	D	80.1	Confident	66.8	Low	21 Å²	21	65.6 Å²	65.6	11%	0.112	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.8	-164.6	-65.3	12.3	0	0	0	110.9	K845 T871 F881 Y882 C884	K845-D873 WeakPolarHBondContact CD-OD2 3.35Å; K845-D873 WeakPolarHBondContact CE-OD2 3.34Å; K845-D873 IonicContact NZ-OD2 2.67Å; K845-D873 PolarHBondContact NZ-OD2 2.84Å; T871-D873 WeakPolarHBondContact CB-OD1 3.42Å; T871-D873 PolarHBondContact OG1-OD1 2.04Å; D873-F881 CarbonylContact O-C 3.49Å; D873-F881 VanDerWaalsContact O-CA 3.24Å; D873-F881 WeakPolarHBondContact O-CA 3.39Å; D873-Y882 PolarHBondContact N-O 2.82Å; D873-Y882 PolarHBondContact O-N 3.49Å; D873-C884 HydrophobicContact CB-CB 4.06Å; D873-C884 WeakPolarHBondContact OD2-CB 3.43Å
874	L	75.5	Confident	69	Low	81 Å²	81	59.9 Å²	59.9	42%	0.424	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.1	178.3	179.8	59	0	0	0	111.3	F881	L874-F881 HydrophobicContact CB-CD1 3.84Å; L874-F881 HydrophobicContact CB-CE1 3.65Å; L874-F881 HydrophobicContact CB-CZ 4.28Å; L874-F881 HydrophobicContact CD1-CD1 4.28Å; L874-F881 HydrophobicContact CD1-CD2 4.21Å; L874-F881 HydrophobicContact CD1-CE1 4.06Å; L874-F881 HydrophobicContact CD1-CE2 3.97Å; L874-F881 HydrophobicContact CD1-CG 4.34Å; L874-F881 HydrophobicContact CD1-CZ 3.88Å; L874-F881 HydrophobicContact CD2-CZ 4.48Å; L874-F881 HydrophobicContact CG-CE1 4.29Å; L874-F881 HydrophobicContact CG-CZ 4.44Å
875	N	72.2	Confident	70.6	Confident	25 Å²	25	56.5 Å²	56.5	13%	0.134	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.6	161.9	178.8	-78.5	0	0	0	109.4	P840 E877 S878 N879 S880 Y882	P840-N875 PolarHBondContact O-ND2 2.82Å; N875-E877 PolarHBondContact O-N 2.92Å; N875-E877 PolarHBondContact OD1-N 2.04Å; N875-E877 VanDerWaalsContact OD1-N 3.17Å; N875-S878 WeakPolarHBondContact CB-OG 3.12Å; N875-S878 VanDerWaalsContact CG-OG 3.24Å; N875-S878 WeakPolarHBondContact OD1-CB 3.45Å; N875-S878 PolarHBondContact OD1-N 2.78Å; N875-S878 PolarHBondContact OD1-OG 2.92Å; N875-N879 WeakPolarHBondContact O-CA 3.32Å; N875-N879 PolarHBondContact O-N 2.9Å; N875-S880 WeakPolarHBondContact CB-O 3.25Å; N875-S880 PolarHBondContact N-O 3.37Å; N875-S880 PolarHBondContact O-N 2.85Å; N875-Y882 HydrophobicContact CB-CD2 3.74Å; N875-Y882 HydrophobicContact CB-CE2 3.77Å
876	A	59.4	Low	71.1	Confident	91 Å²	91	61.4 Å²	61.4	75%	0.752	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.4	-174.8	0	0	0	0	0	114.4
877	E	54.6	Low	70.7	Confident	168 Å²	168	63.1 Å²	63.1	79%	0.785	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-33.1	-178.3	-61	-178.7	159	0	0	112.5	N875	N875-E877 PolarHBondContact O-N 2.92Å; N875-E877 PolarHBondContact OD1-N 2.04Å; N875-E877 VanDerWaalsContact OD1-N 3.17Å
878	S	59.1	Low	69.9	Low	50 Å²	50	66.7 Å²	66.7	35%	0.35	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	2.1	-178.8	60.6	0	0	0	0	113.9	N875 S880	N875-S878 WeakPolarHBondContact CB-OG 3.12Å; N875-S878 VanDerWaalsContact CG-OG 3.24Å; N875-S878 WeakPolarHBondContact OD1-CB 3.45Å; N875-S878 PolarHBondContact OD1-N 2.78Å; N875-S878 PolarHBondContact OD1-OG 2.92Å; S878-S880 PolarHBondContact O-N 3.24Å; S878-S880 VanDerWaalsContact O-N 3.09Å; S878-S880 PolarHBondContact O-OG 2.88Å
879	N	63.4	Low	69	Low	133 Å²	133	64 Å²	64	71%	0.711	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	37.2	-177.4	-164.5	34.9	0	0	0	113.4	N875	N875-N879 WeakPolarHBondContact O-CA 3.32Å; N875-N879 PolarHBondContact O-N 2.9Å
880	S	60.8	Low	67.6	Low	39 Å²	39	68.7 Å²	68.7	27%	0.273	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.9	-169.1	-66.5	0	0	0	0	110.2	N875 S878 Y882	N875-S880 WeakPolarHBondContact CB-O 3.25Å; N875-S880 PolarHBondContact N-O 3.37Å; N875-S880 PolarHBondContact O-N 2.85Å; S878-S880 PolarHBondContact O-N 3.24Å; S878-S880 VanDerWaalsContact O-N 3.09Å; S878-S880 PolarHBondContact O-OG 2.88Å; S880-Y882 WeakPolarHBondContact O-CD2 3.19Å
881	F	78.6	Confident	65.4	Low	39 Å²	39	70.3 Å²	70.3	17%	0.171	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.8	179.4	-60.2	-100.6	0	0	0	111.1	V856 C857 Q859 D873 L874	V856-F881 CarbonylContact C-O 3.57Å; V856-F881 VanDerWaalsContact CA-O 3.24Å; V856-F881 WeakPolarHBondContact CA-O 3.04Å; V856-F881 WeakPolarHBondContact CG1-O 3.37Å; C857-F881 PolarHBondContact N-O 3.12Å; Q859-F881 HydrophobicContact CB-CD1 4.24Å; Q859-F881 HydrophobicContact CB-CE1 3.7Å; Q859-F881 HydrophobicContact CB-CE2 4.05Å; Q859-F881 HydrophobicContact CB-CZ 3.62Å; Q859-F881 HydrophobicContact CG-CE1 3.76Å; Q859-F881 HydrophobicContact CG-CZ 3.94Å; D873-F881 CarbonylContact O-C 3.49Å; D873-F881 VanDerWaalsContact O-CA 3.24Å; D873-F881 WeakPolarHBondContact O-CA 3.39Å; L874-F881 HydrophobicContact CB-CD1 3.84Å; L874-F881 HydrophobicContact CB-CE1 3.65Å; L874-F881 HydrophobicContact CB-CZ 4.28Å; L874-F881 HydrophobicContact CD1-CD1 4.28Å; L874-F881 HydrophobicContact CD1-CD2 4.21Å; L874-F881 HydrophobicContact CD1-CE1 4.06Å; L874-F881 HydrophobicContact CD1-CE2 3.97Å; L874-F881 HydrophobicContact CD1-CG 4.34Å; L874-F881 HydrophobicContact CD1-CZ 3.88Å; L874-F881 HydrophobicContact CD2-CZ 4.48Å; L874-F881 HydrophobicContact CG-CE1 4.29Å; L874-F881 HydrophobicContact CG-CZ 4.44Å
882	Y	80.8	Confident	63.2	Low	36 Å²	36	74 Å²	74	14%	0.141	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.5	-179.3	-66.5	-86.9	0	0	0	112.1	P840 P854 V855 V856 C857 D873 N875 S880 C884	P840-Y882 HydrophobicContact CB-CD1 4.18Å; P840-Y882 HydrophobicContact CB-CD2 3.69Å; P840-Y882 HydrophobicContact CB-CE1 4.25Å; P840-Y882 HydrophobicContact CB-CE2 3.76Å; P840-Y882 HydrophobicContact CB-CG 3.9Å; P840-Y882 HydrophobicContact CG-CD1 3.75Å; P840-Y882 HydrophobicContact CG-CD2 4.07Å; P840-Y882 HydrophobicContact CG-CE1 4.11Å; P840-Y882 HydrophobicContact CG-CE2 4.39Å; P840-Y882 HydrophobicContact CG-CG 3.72Å; P854-Y882 HydrophobicContact CB-CD1 4.04Å; P854-Y882 HydrophobicContact CB-CE1 4.33Å; P854-Y882 HydrophobicContact CG-CD1 4.22Å; P854-Y882 HydrophobicContact CG-CE1 4Å; V855-Y882 WeakPolarHBondContact O-CA 3.29Å; V856-Y882 HydrophobicContact CG2-CD1 3.97Å; V856-Y882 HydrophobicContact CG2-CE1 3.56Å; C857-Y882 VanDerWaalsContact SG-C 3.57Å; D873-Y882 PolarHBondContact N-O 2.82Å; D873-Y882 PolarHBondContact O-N 3.49Å; N875-Y882 HydrophobicContact CB-CD2 3.74Å; N875-Y882 HydrophobicContact CB-CE2 3.77Å; S880-Y882 WeakPolarHBondContact O-CD2 3.19Å; Y882-C884 PolarHBondContact O-N 3.4Å
883	C	82.6	Confident	60.9	Low	0 Å²	0	80.3 Å²	80.3	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115	174.1	-65.8	0	0	0	0	111.1	P847 Y848 V855 G865 C866 T871	P847-C883 CarbonylContact C-O 3.46Å; P847-C883 WeakPolarHBondContact CA-O 3.49Å; Y848-C883 PolarHBondContact N-O 2.99Å; V855-C883 HydrophobicContact CB-CB 4.43Å; V855-C883 PolarHBondContact O-N 3.07Å; G865-C883 PolarHBondContact O-SG 2.6Å; C866-C883 WeakPolarHBondContact CA-SG 3.46Å; C866-C883 HydrophobicContact CB-CB 3.77Å; C866-C883 WeakPolarHBondContact CB-SG 3.38Å; C866-C883 WeakPolarHBondContact SG-CA 3.22Å; C866-C883 WeakPolarHBondContact SG-CB 3.01Å; C866-C883 CovalentContact SG-SG 2.04Å; C866-C883 PolarHBondContact SG-SG 2.75Å; T871-C883 CarbonylContact O-C 3.58Å; T871-C883 VanDerWaalsContact O-CA 3.3Å; T871-C883 WeakPolarHBondContact O-CA 3.06Å
884	C	85.8	Confident	59.3	Low	1 Å²	1	80.7 Å²	80.7	1%	0.007	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.9	-169.3	-65.6	0	0	0	0	112.3	C841 K845 T846 Y870 T871 D873 Y882	C841-C884 VanDerWaalsContact CA-SG 3.58Å; C841-C884 HydrophobicContact CB-CB 3.77Å; C841-C884 WeakPolarHBondContact CB-SG 3.06Å; C841-C884 VanDerWaalsContact SG-CA 3.56Å; C841-C884 WeakPolarHBondContact SG-CB 3.36Å; C841-C884 CovalentContact SG-SG 2.03Å; C841-C884 PolarHBondContact SG-SG 2.82Å; K845-C884 HydrophobicContact CB-CB 4.28Å; K845-C884 HydrophobicContact CD-CB 4.18Å; T846-C884 CarbonylContact O-C 3.55Å; T846-C884 WeakPolarHBondContact O-CA 3.28Å; Y870-C884 CarbonylContact C-O 3.54Å; Y870-C884 VanDerWaalsContact CA-O 3.23Å; Y870-C884 WeakPolarHBondContact CA-O 3Å; T871-C884 PolarHBondContact N-O 3.18Å; T871-C884 PolarHBondContact O-N 2.84Å; T871-C884 PolarHBondContact OG1-O 3.41Å; D873-C884 HydrophobicContact CB-CB 4.06Å; D873-C884 WeakPolarHBondContact OD2-CB 3.43Å; Y882-C884 PolarHBondContact O-N 3.4Å
885	S	80.3	Confident	58.7	Low	18 Å²	18	81.2 Å²	81.2	13%	0.126	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.6	180	-170.4	0	0	0	0	112.8	K845 T846 G869 Y870 S887	K845-S885 CarbonylContact C-O 3.48Å; K845-S885 VanDerWaalsContact CA-O 3.22Å; K845-S885 WeakPolarHBondContact CA-O 3.01Å; T846-S885 PolarHBondContact N-O 3.16Å; T846-S885 PolarHBondContact O-N 2.88Å; T846-S885 PolarHBondContact OG1-O 3.27Å; G869-S885 VanDerWaalsContact O-CB 3.25Å; G869-S885 WeakPolarHBondContact O-CB 3.31Å; G869-S885 PolarHBondContact O-OG 2.88Å; Y870-S885 VanDerWaalsContact CD1-CB 3.5Å; S885-S887 PolarHBondContact O-N 2.86Å
886	F	67.8	Low	58.7	Low	142 Å²	142	81 Å²	81	62%	0.623	47%	0.469	S	S	*	.	S	Bend	trans	-77.1	6.9	178.7	-76.1	-74.9	0	0	0	114.4	K845	K845-F886 HydrophobicContact CD-CE1 4.31Å; K845-F886 HydrophobicContact CD-CZ 4.25Å; K845-F886 HydrophobicContact CG-CD1 3.79Å; K845-F886 HydrophobicContact CG-CE1 3.77Å; K845-F886 HydrophobicContact CG-CG 4.22Å; K845-F886 HydrophobicContact CG-CZ 4.18Å
887	S	57.2	Low	59.2	Low	73 Å²	73	78.3 Å²	78.3	51%	0.51	44%	0.444	S	S	.	.	S	Bend	trans	-139.7	128.8	-172.6	-62.6	0	0	0	0	112.7	S885 G889	S885-S887 PolarHBondContact O-N 2.86Å; S887-G889 VanDerWaalsContact C-N 3.34Å; S887-G889 PolarHBondContact O-N 2.76Å
888	P	46.8	Very low	59.9	Low	108 Å²	108	76.7 Å²	76.7	70%	0.701	45%	0.448	S	S	*	.			trans	-73.5	89.6	168.4	31.1	-32.6	0	0	0	109.2	Q890	P888-Q890 PolarHBondContact O-N 3.27Å
889	G	40	Very low	60.3	Low	65 Å²	65	76.8 Å²	76.8	67%	0.67	46%	0.457	S	S	*	.			trans	-60.7	98.7	172.9	0	0	0	0	0	110.4	S887	S887-G889 VanDerWaalsContact C-N 3.34Å; S887-G889 PolarHBondContact O-N 2.76Å
890	Q	38.2	Very low	60.9	Low	162 Å²	162	74.4 Å²	74.4	76%	0.757	44%	0.439	S	S	*	.			trans	-59.6	130.4	-175.4	-66	-179.1	-81.2	0	0	110.6	P888 M892	P888-Q890 PolarHBondContact O-N 3.27Å; Q890-M892 PolarHBondContact O-N 3.21Å
891	P	32.5	Very low	61.6	Low	101 Å²	101	76.1 Å²	76.1	66%	0.656	45%	0.448	S	S	*	.			trans	-71.1	98.5	174.2	29	-32.9	0	0	0	109.2	I893	P891-I893 PolarHBondContact O-N 3.18Å
892	M	31.9	Very low	61.2	Low	154 Å²	154	75.9 Å²	75.9	76%	0.759	45%	0.448	S	S	*	.			trans	-59.3	124	170.7	-75.9	-68.9	179.3	0	0	109.3	Q890 G894	Q890-M892 PolarHBondContact O-N 3.21Å; M892-G894 PolarHBondContact O-N 3.48Å; M892-G894 VanDerWaalsContact O-N 3.14Å
893	I	31	Very low	60.6	Low	179 Å²	179	75.6 Å²	75.6	92%	0.918	45%	0.45	S	S	*	.			trans	-79.8	97.6	-176.2	-58.1	172.7	0	0	0	108.4	P891	P891-I893 PolarHBondContact O-N 3.18Å
894	G	48	Very low	59.3	Low	30 Å²	30	83.6 Å²	83.6	31%	0.309	49%	0.487	S	S	.	.			trans	177	133.8	175.1	0	0	0	0	0	113.3	M892 C896	M892-G894 PolarHBondContact O-N 3.48Å; M892-G894 VanDerWaalsContact O-N 3.14Å; G894-C896 PolarHBondContact O-N 3.03Å; G894-C896 VanDerWaalsContact O-N 3.14Å
895	N	62.3	Low	57.7	Low	92 Å²	92	89 Å²	89	49%	0.492	52%	0.522	S	S	.	.	S	Bend	trans	-61.5	-23.6	-178.8	-56.4	-2.1	0	0	0	112.7	C935	N895-C935 PolarHBondContact O-SG 2.99Å
896	C	72.7	Confident	56.4	Low	20 Å²	20	90.7 Å²	90.7	14%	0.135	53%	0.534	C	S	.	.	S	Bend	trans	-148.9	156.4	176.9	-71.4	0	0	0	0	109.7	G894 Y900 L902 C935	G894-C896 PolarHBondContact O-N 3.03Å; G894-C896 VanDerWaalsContact O-N 3.14Å; C896-Y900 VanDerWaalsContact CB-O 3.31Å; C896-Y900 WeakPolarHBondContact CB-O 3.05Å; C896-L902 PolarHBondContact SG-N 3.28Å; C896-C935 WeakPolarHBondContact CA-SG 3.39Å; C896-C935 HydrophobicContact CB-CB 3.72Å; C896-C935 WeakPolarHBondContact CB-SG 3.36Å; C896-C935 VanDerWaalsContact SG-CA 3.56Å; C896-C935 WeakPolarHBondContact SG-CB 3.46Å; C896-C935 CovalentContact SG-SG 2.03Å; C896-C935 PolarHBondContact SG-SG 3.38Å
897	P	69.8	Low	56.2	Low	34 Å²	34	91.1 Å²	91.1	22%	0.221	53%	0.531	C	S	.	.			trans	-71.1	161.2	176.4	29.9	-33.7	0	0	0	111.6	G899 Y900 I922	P897-G899 PolarHBondContact O-N 2.93Å; P897-Y900 HydrophobicContact CG-CD2 3.96Å; P897-Y900 HydrophobicContact CG-CG 4.45Å; P897-Y900 PolarHBondContact O-N 2.03Å; P897-I922 HydrophobicContact CG-CD1 3.63Å
898	P	69.1	Low	57.3	Low	134 Å²	134	93.2 Å²	93.2	87%	0.87	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	132.1	-177.8	-28.7	36	0	0	0	113.2
899	G	67.2	Low	58.7	Low	53 Å²	53	89.1 Å²	89.1	55%	0.546	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	3.4	-174.8	0	0	0	0	0	115.3	P897 S937 V938	P897-G899 PolarHBondContact O-N 2.93Å; G899-S937 CarbonylContact O-C 3.53Å; G899-S937 WeakPolarHBondContact O-CA 3.47Å; G899-V938 PolarHBondContact O-N 2.62Å
900	Y	75.9	Confident	60.2	Low	83 Å²	83	88 Å²	88	33%	0.325	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.8	176.2	-62.3	-101.4	0	0	0	113.5	C896 P897 I922 C935 S936	C896-Y900 VanDerWaalsContact CB-O 3.31Å; C896-Y900 WeakPolarHBondContact CB-O 3.05Å; P897-Y900 HydrophobicContact CG-CD2 3.96Å; P897-Y900 HydrophobicContact CG-CG 4.45Å; P897-Y900 PolarHBondContact O-N 2.03Å; Y900-I922 HydrophobicContact CD1-CD1 3.99Å; Y900-I922 HydrophobicContact CD1-CG1 3.92Å; Y900-I922 HydrophobicContact CD2-CD1 4.08Å; Y900-I922 HydrophobicContact CE1-CB 4.46Å; Y900-I922 HydrophobicContact CE1-CD1 3.87Å; Y900-I922 HydrophobicContact CE1-CG1 3.87Å; Y900-I922 HydrophobicContact CE1-CG2 3.87Å; Y900-I922 HydrophobicContact CE2-CD1 3.95Å; Y900-I922 HydrophobicContact CG-CD1 4.11Å; Y900-I922 HydrophobicContact CG-CG1 4.44Å; Y900-C935 HydrophobicContact CD1-CB 4.45Å; Y900-C935 VanDerWaalsContact CD1-O 3.3Å; Y900-C935 WeakPolarHBondContact CD1-O 3.41Å; Y900-C935 HydrophobicContact CG-CB 4.47Å; Y900-S936 CarbonylContact C-O 3.44Å; Y900-S936 WeakPolarHBondContact CA-O 3.48Å; Y900-S936 VanDerWaalsContact CD1-C 3.48Å
901	T	74.7	Confident	61.2	Low	75 Å²	75	83.6 Å²	83.6	46%	0.46	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153.6	172.4	42	0	0	0	0	112.1	V903 C935 S936 V938	T901-V903 PolarHBondContact O-N 3.08Å; T901-C935 CarbonylContact O-C 3.58Å; T901-C935 VanDerWaalsContact O-CA 3.32Å; T901-C935 WeakPolarHBondContact O-CA 3.46Å; T901-S936 PolarHBondContact N-O 3.44Å; T901-S936 PolarHBondContact O-N 3.2Å; T901-V938 HydrophobicContact CG2-CG1 4.41Å; T901-V938 HydrophobicContact CG2-CG2 3.48Å; T901-V938 VanDerWaalsContact CG2-CG2 3.48Å
902	L	71.3	Confident	62.3	Low	34 Å²	34	85.5 Å²	85.5	18%	0.178	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.6	-179.6	-168.9	72.5	0	0	0	111.1	C896 Q904 V933	C896-L902 PolarHBondContact SG-N 3.28Å; L902-Q904 PolarHBondContact O-N 3.41Å; L902-Q904 VanDerWaalsContact O-N 3.13Å; L902-V933 HydrophobicContact CD1-CB 3.76Å; L902-V933 HydrophobicContact CD1-CG1 4.35Å; L902-V933 HydrophobicContact CD1-CG2 3.6Å
903	V	67.3	Low	63.1	Low	30 Å²	30	81.9 Å²	81.9	18%	0.182	46%	0.461	C	S	.	.			trans	-69.9	107.5	176.3	175.2	0	0	0	0	109.4	T901 P905 S906 R907 C934	T901-V903 PolarHBondContact O-N 3.08Å; V903-P905 CarbonylContact O-C 3.51Å; V903-P905 VanDerWaalsContact O-C 3.27Å; V903-S906 VanDerWaalsContact O-CA 3.24Å; V903-S906 WeakPolarHBondContact O-CA 3.28Å; V903-S906 PolarHBondContact O-N 2.82Å; V903-R907 HydrophobicContact CG1-CG 4.22Å; V903-R907 PolarHBondContact O-N 3.47Å; V903-C934 HydrophobicContact CB-CB 3.96Å; V903-C934 WeakPolarHBondContact CB-O 3.44Å; V903-C934 HydrophobicContact CG2-CB 3.84Å; V903-C934 WeakPolarHBondContact CG2-O 3.18Å; V903-C934 PolarHBondContact N-O 3.49Å
904	Q	55.3	Low	64	Low	168 Å²	168	79.6 Å²	79.6	79%	0.785	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	145.6	175.5	-69.6	-165.8	-5.5	0	0	112.7	L902	L902-Q904 PolarHBondContact O-N 3.41Å; L902-Q904 VanDerWaalsContact O-N 3.13Å
905	P	52	Low	64.6	Low	115 Å²	115	81.7 Å²	81.7	75%	0.747	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	cis	-64.5	142.8	-15.5	29.8	-35.1	0	0	0	110.5	V903 R907	V903-P905 CarbonylContact O-C 3.51Å; V903-P905 VanDerWaalsContact O-C 3.27Å; P905-R907 PolarHBondContact O-N 3.06Å
906	S	53.7	Low	64.8	Low	52 Å²	52	78.9 Å²	78.9	36%	0.364	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	99.2	-166.2	-50.3	0	0	0	0	113.6	V903 Y908	V903-S906 VanDerWaalsContact O-CA 3.24Å; V903-S906 WeakPolarHBondContact O-CA 3.28Å; V903-S906 PolarHBondContact O-N 2.82Å; S906-Y908 PolarHBondContact O-N 2.79Å
907	R	64.5	Low	64.9	Low	151 Å²	151	78.8 Å²	78.8	57%	0.57	47%	0.466	S	S	*	.			trans	-78.8	116.6	175	-69.7	-167.3	-177.2	-138.4	1.3	109.7	V903 P905 V933 C934	V903-R907 HydrophobicContact CG1-CG 4.22Å; V903-R907 PolarHBondContact O-N 3.47Å; P905-R907 PolarHBondContact O-N 3.06Å; R907-V933 CarbonylContact O-C 3.59Å; R907-V933 WeakPolarHBondContact O-CA 3.4Å; R907-C934 HydrophobicContact CB-CB 4.07Å; R907-C934 PolarHBondContact O-N 3.03Å
908	Y	79.2	Confident	64.8	Low	118 Å²	118	78.6 Å²	78.6	46%	0.463	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-71.5	150.7	163.5	-55.6	-65.5	0	0	0	110.5	S906 R931 Y932 V933	S906-Y908 PolarHBondContact O-N 2.79Å; Y908-R931 HydrophobicContact CD1-CB 3.83Å; Y908-R931 HydrophobicContact CD1-CG 4.39Å; Y908-R931 HydrophobicContact CE1-CB 3.89Å; Y908-R931 HydrophobicContact CE1-CG 4.24Å; Y908-R931 PolarHBondContact OH-NH1 3.04Å; Y908-Y932 CarbonylContact C-O 3.56Å; Y908-Y932 WeakPolarHBondContact CA-O 3.47Å; Y908-V933 HydrophobicContact CD1-CG1 4.21Å; Y908-V933 HydrophobicContact CE1-CG1 4.46Å
909	C	76.1	Confident	64.5	Low	22 Å²	22	78.2 Å²	78.2	15%	0.149	47%	0.468	C	S	.	.			trans	-139	-175.6	-177.9	62.9	0	0	0	0	111.5	C917 C923 Y932 V933	C909-C917 WeakPolarHBondContact CB-SG 3.36Å; C909-C917 VanDerWaalsContact SG-SG 3.66Å; C909-C923 HydrophobicContact CB-CB 3.85Å; C909-C923 WeakPolarHBondContact CB-SG 3.37Å; C909-C923 WeakPolarHBondContact SG-CA 3.43Å; C909-C923 WeakPolarHBondContact SG-CB 3.37Å; C909-C923 CovalentContact SG-SG 2.04Å; C909-C923 PolarHBondContact SG-SG 2.95Å; C909-Y932 PolarHBondContact N-O 3.4Å; C909-Y932 WeakPolarHBondContact O-CB 3.44Å; C909-Y932 VanDerWaalsContact SG-C 3.56Å; C909-V933 PolarHBondContact SG-N 3.06Å; C909-V933 PolarHBondContact SG-O 3.08Å; C909-V933 VanDerWaalsContact SG-O 3.34Å
910	S	71.1	Confident	64.5	Low	40 Å²	40	81.6 Å²	81.6	28%	0.28	47%	0.473	S	S	.	.			trans	-141.3	132.1	170.8	172.2	0	0	0	0	109.2	N912 V913 S916 C923	S910-N912 PolarHBondContact O-N 3.06Å; S910-N912 PolarHBondContact OG-N 2.86Å; S910-V913 PolarHBondContact O-N 3.28Å; S910-V913 VanDerWaalsContact O-N 3.15Å; S910-S916 PolarHBondContact N-OG 3.42Å; S910-S916 PolarHBondContact O-OG 2.88Å; S910-C923 VanDerWaalsContact C-SG 3.56Å; S910-C923 PolarHBondContact N-SG 3.23Å
911	P	59.8	Low	64.6	Low	70 Å²	70	78.6 Å²	78.6	46%	0.455	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.6	-179.9	28.9	-36.9	0	0	0	111.9	V913 Y932	P911-V913 VanDerWaalsContact C-N 3.34Å; P911-Y932 HydrophobicContact CB-CE1 4.23Å; P911-Y932 HydrophobicContact CG-CD1 4.29Å; P911-Y932 HydrophobicContact CG-CD2 4.49Å; P911-Y932 HydrophobicContact CG-CE1 3.83Å; P911-Y932 HydrophobicContact CG-CE2 4.05Å
912	N	56.3	Low	64.8	Low	142 Å²	142	77.9 Å²	77.9	76%	0.759	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	3	-178.3	-61	-8	0	0	0	112.9	S910	S910-N912 PolarHBondContact O-N 3.06Å; S910-N912 PolarHBondContact OG-N 2.86Å
913	V	47.5	Very low	65.2	Low	77 Å²	77	78 Å²	78	47%	0.467	46%	0.461	S	S	.	.	S	Bend	trans	-117.9	102.2	-179.5	176.9	0	0	0	0	109.5	S910 P911 G915 S916	S910-V913 PolarHBondContact O-N 3.28Å; S910-V913 VanDerWaalsContact O-N 3.15Å; P911-V913 VanDerWaalsContact C-N 3.34Å; V913-G915 PolarHBondContact O-N 3.19Å; V913-S916 WeakPolarHBondContact O-CB 3.43Å; V913-S916 PolarHBondContact O-N 2.79Å; V913-S916 VanDerWaalsContact O-N 3.07Å; V913-S916 PolarHBondContact O-OG 3.08Å
914	P	50.6	Low	66	Low	131 Å²	131	79.5 Å²	79.5	85%	0.851	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	129.8	173.3	-24.9	34.9	0	0	0	111.2	S916	P914-S916 VanDerWaalsContact C-N 3.35Å
915	G	60	Low	66.9	Low	74 Å²	74	75.8 Å²	75.8	76%	0.763	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	14.9	-176.1	0	0	0	0	0	115.1	V913 C917	V913-G915 PolarHBondContact O-N 3.19Å; G915-C917 CarbonylContact C-O 3.5Å; G915-C917 PolarHBondContact O-N 3.08Å
916	S	66.5	Low	67.8	Low	34 Å²	34	70.3 Å²	70.3	24%	0.238	41%	0.409	C	S	.	.	S	Bend	trans	-64.5	-18.5	171	60.1	0	0	0	0	113.8	S910 V913 P914	S910-S916 PolarHBondContact N-OG 3.42Å; S910-S916 PolarHBondContact O-OG 2.88Å; V913-S916 WeakPolarHBondContact O-CB 3.43Å; V913-S916 PolarHBondContact O-N 2.79Å; V913-S916 VanDerWaalsContact O-N 3.07Å; V913-S916 PolarHBondContact O-OG 3.08Å; P914-S916 VanDerWaalsContact C-N 3.35Å
917	C	75	Confident	67.9	Low	18 Å²	18	70.7 Å²	70.7	12%	0.122	41%	0.412	C	S	.	.	S	Bend	trans	-114.7	157.4	168	-68.7	0	0	0	0	111.4	C909 G915 S921 C934	C909-C917 WeakPolarHBondContact CB-SG 3.36Å; C909-C917 VanDerWaalsContact SG-SG 3.66Å; G915-C917 CarbonylContact C-O 3.5Å; G915-C917 PolarHBondContact O-N 3.08Å; C917-S921 WeakPolarHBondContact CB-O 3.36Å; C917-S921 WeakPolarHBondContact CB-OG 3.42Å; C917-C934 WeakPolarHBondContact CA-SG 3.26Å; C917-C934 HydrophobicContact CB-CB 3.85Å; C917-C934 WeakPolarHBondContact CB-SG 3.32Å; C917-C934 WeakPolarHBondContact SG-CA 3.21Å; C917-C934 WeakPolarHBondContact SG-CB 3.35Å; C917-C934 CovalentContact SG-SG 2.05Å; C917-C934 PolarHBondContact SG-SG 2.92Å
918	G	68.5	Low	67.5	Low	29 Å²	29	67.8 Å²	67.8	30%	0.299	42%	0.415	S	S	.	.			trans	-71.6	171.9	179.5	0	0	0	0	0	113	N920 S921	G918-N920 PolarHBondContact O-N 2.96Å; G918-S921 PolarHBondContact N-OG 2.75Å; G918-S921 PolarHBondContact O-N 3.12Å; G918-S921 PolarHBondContact O-OG 3.26Å
919	P	63.2	Low	66.5	Low	127 Å²	127	65.2 Å²	65.2	83%	0.825	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	142.2	172.4	-25.8	34.9	0	0	0	111.9	S921	P919-S921 PolarHBondContact O-N 2.86Å; P919-S921 VanDerWaalsContact O-N 3.16Å
920	N	66.2	Low	65.7	Low	123 Å²	123	67.5 Å²	67.5	66%	0.658	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	17.3	-176.5	-54.5	-9.1	0	0	0	115.4	G918 S936 S937	G918-N920 PolarHBondContact O-N 2.96Å; N920-S936 WeakPolarHBondContact O-CA 3.41Å; N920-S937 PolarHBondContact O-N 2.81Å
921	S	77.7	Confident	65.5	Low	20 Å²	20	72.1 Å²	72.1	14%	0.14	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.5	174	62.3	0	0	0	0	114.1	C917 G918 P919 C935	C917-S921 WeakPolarHBondContact CB-O 3.36Å; C917-S921 WeakPolarHBondContact CB-OG 3.42Å; G918-S921 PolarHBondContact N-OG 2.75Å; G918-S921 PolarHBondContact O-N 3.12Å; G918-S921 PolarHBondContact O-OG 3.26Å; P919-S921 PolarHBondContact O-N 2.86Å; P919-S921 VanDerWaalsContact O-N 3.16Å; S921-C935 CarbonylContact C-O 3.56Å; S921-C935 WeakPolarHBondContact CA-O 3.41Å; S921-C935 VanDerWaalsContact CB-O 3.27Å; S921-C935 WeakPolarHBondContact CB-O 3.04Å
922	I	79.9	Confident	66.5	Low	61 Å²	61	72.8 Å²	72.8	31%	0.313	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	154.7	178.4	61.7	174.9	0	0	0	110.7	P897 Y900 C934 C935	P897-I922 HydrophobicContact CG-CD1 3.63Å; Y900-I922 HydrophobicContact CD1-CD1 3.99Å; Y900-I922 HydrophobicContact CD1-CG1 3.92Å; Y900-I922 HydrophobicContact CD2-CD1 4.08Å; Y900-I922 HydrophobicContact CE1-CB 4.46Å; Y900-I922 HydrophobicContact CE1-CD1 3.87Å; Y900-I922 HydrophobicContact CE1-CG1 3.87Å; Y900-I922 HydrophobicContact CE1-CG2 3.87Å; Y900-I922 HydrophobicContact CE2-CD1 3.95Å; Y900-I922 HydrophobicContact CG-CD1 4.11Å; Y900-I922 HydrophobicContact CG-CG1 4.44Å; I922-C934 WeakPolarHBondContact O-CA 3.05Å; I922-C935 HydrophobicContact CG1-CB 3.86Å; I922-C935 PolarHBondContact N-O 2.95Å; I922-C935 PolarHBondContact O-N 3.03Å
923	C	79.2	Confident	67.7	Low	37 Å²	37	66 Å²	66	25%	0.25	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.6	170.9	-172.9	0	0	0	0	109.7	C909 S910	C909-C923 HydrophobicContact CB-CB 3.85Å; C909-C923 WeakPolarHBondContact CB-SG 3.37Å; C909-C923 WeakPolarHBondContact SG-CA 3.43Å; C909-C923 WeakPolarHBondContact SG-CB 3.37Å; C909-C923 CovalentContact SG-SG 2.04Å; C909-C923 PolarHBondContact SG-SG 2.95Å; S910-C923 VanDerWaalsContact C-SG 3.56Å; S910-C923 PolarHBondContact N-SG 3.23Å
924	H	83.5	Confident	69.5	Low	60 Å²	60	62.3 Å²	62.3	28%	0.278	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152.2	-177.4	-171.9	-102	0	0	0	110.6	Y932 V933 C935	H924-Y932 CarbonylContact O-C 3.55Å; H924-Y932 VanDerWaalsContact O-CA 3.28Å; H924-Y932 WeakPolarHBondContact O-CA 3.26Å; H924-V933 PolarHBondContact N-O 2.93Å; H924-V933 PolarHBondContact O-N 2.6Å; H924-C935 HydrophobicContact CB-CB 4.48Å
925	Y	75.4	Confident	71.1	Confident	90 Å²	90	56.1 Å²	56.1	35%	0.353	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.7	175.5	-174.2	-102.7	0	0	0	110.3	S927 Y932	Y925-S927 PolarHBondContact O-N 3.42Å; Y925-Y932 HydrophobicContact CD2-CD1 4.28Å; Y925-Y932 AromaticContact CD2-CD2 3.95Å; Y925-Y932 HydrophobicContact CD2-CD2 3.95Å; Y925-Y932 HydrophobicContact CD2-CE1 4.14Å; Y925-Y932 AromaticContact CD2-CE2 3.79Å; Y925-Y932 HydrophobicContact CD2-CE2 3.79Å; Y925-Y932 HydrophobicContact CD2-CG 4.18Å; Y925-Y932 AromaticContact CD2-CZ 3.89Å; Y925-Y932 HydrophobicContact CE2-CE2 4.4Å; Y925-Y932 HydrophobicContact CG-CE1 4.45Å
926	D	70.6	Confident	72	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	108.2	172.1	-172.9	-25.7	0	0	0	109.2	S928 Q929 A930 R931 V933	D926-S928 VanDerWaalsContact C-N 3.26Å; D926-S928 PolarHBondContact O-N 2.94Å; D926-S928 WeakPolarHBondContact OD1-CA 3.49Å; D926-S928 VanDerWaalsContact OD1-CB 3.32Å; D926-S928 WeakPolarHBondContact OD1-CB 3.29Å; D926-S928 PolarHBondContact OD1-N 2.9Å; D926-S928 PolarHBondContact OD1-OG 2.71Å; D926-Q929 HydrophobicContact CB-CB 4.17Å; D926-Q929 PolarHBondContact O-N 2.04Å; D926-Q929 PolarHBondContact OD1-N 3.45Å; D926-Q929 VanDerWaalsContact OD1-N 3.08Å; D926-Q929 WeakPolarHBondContact OD2-CG 3.04Å; D926-Q929 PolarHBondContact OD2-NE2 2.82Å; D926-A930 WeakPolarHBondContact O-CA 3.47Å; D926-A930 PolarHBondContact O-N 3.19Å; D926-R931 WeakPolarHBondContact CB-O 3.04Å; D926-R931 PolarHBondContact N-O 3.34Å; D926-R931 PolarHBondContact O-N 2.75Å; D926-V933 HydrophobicContact CB-CB 4.44Å; D926-V933 HydrophobicContact CB-CG1 3.77Å; D926-V933 HydrophobicContact CB-CG2 3.8Å
927	S	56.1	Low	72.2	Confident	60 Å²	60	55 Å²	55	42%	0.42	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20	178.2	52.9	0	0	0	0	113.6	Y925	Y925-S927 PolarHBondContact O-N 3.42Å
928	S	54.7	Low	71.3	Confident	89 Å²	89	57.7 Å²	57.7	62%	0.622	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-32	175.7	76.9	0	0	0	0	112.7	D926	D926-S928 VanDerWaalsContact C-N 3.26Å; D926-S928 PolarHBondContact O-N 2.94Å; D926-S928 WeakPolarHBondContact OD1-CA 3.49Å; D926-S928 VanDerWaalsContact OD1-CB 3.32Å; D926-S928 WeakPolarHBondContact OD1-CB 3.29Å; D926-S928 PolarHBondContact OD1-N 2.9Å; D926-S928 PolarHBondContact OD1-OG 2.71Å
929	Q	58.5	Low	70.2	Confident	65 Å²	65	63.1 Å²	63.1	30%	0.304	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-3.7	178.4	-65	-179.6	58.1	0	0	113.6	D926 R931	D926-Q929 HydrophobicContact CB-CB 4.17Å; D926-Q929 PolarHBondContact O-N 2.04Å; D926-Q929 PolarHBondContact OD1-N 3.45Å; D926-Q929 VanDerWaalsContact OD1-N 3.08Å; D926-Q929 WeakPolarHBondContact OD2-CG 3.04Å; D926-Q929 PolarHBondContact OD2-NE2 2.82Å; Q929-R931 HydrophobicContact CB-CB 4.48Å; Q929-R931 WeakPolarHBondContact O-CG 3.4Å; Q929-R931 PolarHBondContact O-N 3.12Å
930	A	60.4	Low	69.1	Low	69 Å²	69	64.4 Å²	64.4	57%	0.57	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	34.4	-173.8	0	0	0	0	0	113.6	D926	D926-A930 WeakPolarHBondContact O-CA 3.47Å; D926-A930 PolarHBondContact O-N 3.19Å
931	R	67.2	Low	67.6	Low	138 Å²	138	64.4 Å²	64.4	52%	0.521	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.1	-170.7	-74.3	176.8	-177.3	-163.1	-2.3	111.2	Y908 D926 Q929	Y908-R931 HydrophobicContact CD1-CB 3.83Å; Y908-R931 HydrophobicContact CD1-CG 4.39Å; Y908-R931 HydrophobicContact CE1-CB 3.89Å; Y908-R931 HydrophobicContact CE1-CG 4.24Å; Y908-R931 PolarHBondContact OH-NH1 3.04Å; D926-R931 WeakPolarHBondContact CB-O 3.04Å; D926-R931 PolarHBondContact N-O 3.34Å; D926-R931 PolarHBondContact O-N 2.75Å; Q929-R931 HydrophobicContact CB-CB 4.48Å; Q929-R931 WeakPolarHBondContact O-CG 3.4Å; Q929-R931 PolarHBondContact O-N 3.12Å
932	Y	79	Confident	65.3	Low	83 Å²	83	69.2 Å²	69.2	33%	0.325	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.5	170.2	-77.6	-83.4	0	0	0	110.7	Y908 C909 P911 H924 Y925	Y908-Y932 CarbonylContact C-O 3.56Å; Y908-Y932 WeakPolarHBondContact CA-O 3.47Å; C909-Y932 PolarHBondContact N-O 3.4Å; C909-Y932 WeakPolarHBondContact O-CB 3.44Å; C909-Y932 VanDerWaalsContact SG-C 3.56Å; P911-Y932 HydrophobicContact CB-CE1 4.23Å; P911-Y932 HydrophobicContact CG-CD1 4.29Å; P911-Y932 HydrophobicContact CG-CD2 4.49Å; P911-Y932 HydrophobicContact CG-CE1 3.83Å; P911-Y932 HydrophobicContact CG-CE2 4.05Å; H924-Y932 CarbonylContact O-C 3.55Å; H924-Y932 VanDerWaalsContact O-CA 3.28Å; H924-Y932 WeakPolarHBondContact O-CA 3.26Å; Y925-Y932 HydrophobicContact CD2-CD1 4.28Å; Y925-Y932 AromaticContact CD2-CD2 3.95Å; Y925-Y932 HydrophobicContact CD2-CD2 3.95Å; Y925-Y932 HydrophobicContact CD2-CE1 4.14Å; Y925-Y932 AromaticContact CD2-CE2 3.79Å; Y925-Y932 HydrophobicContact CD2-CE2 3.79Å; Y925-Y932 HydrophobicContact CD2-CG 4.18Å; Y925-Y932 AromaticContact CD2-CZ 3.89Å; Y925-Y932 HydrophobicContact CE2-CE2 4.4Å; Y925-Y932 HydrophobicContact CG-CE1 4.45Å
933	V	82.1	Confident	63.3	Low	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.5	-176.9	-58.9	0	0	0	0	112.1	L902 R907 Y908 C909 H924 D926	L902-V933 HydrophobicContact CD1-CB 3.76Å; L902-V933 HydrophobicContact CD1-CG1 4.35Å; L902-V933 HydrophobicContact CD1-CG2 3.6Å; R907-V933 CarbonylContact O-C 3.59Å; R907-V933 WeakPolarHBondContact O-CA 3.4Å; Y908-V933 HydrophobicContact CD1-CG1 4.21Å; Y908-V933 HydrophobicContact CE1-CG1 4.46Å; C909-V933 PolarHBondContact SG-N 3.06Å; C909-V933 PolarHBondContact SG-O 3.08Å; C909-V933 VanDerWaalsContact SG-O 3.34Å; H924-V933 PolarHBondContact N-O 2.93Å; H924-V933 PolarHBondContact O-N 2.6Å; D926-V933 HydrophobicContact CB-CB 4.44Å; D926-V933 HydrophobicContact CB-CG1 3.77Å; D926-V933 HydrophobicContact CB-CG2 3.8Å
934	C	85.2	Confident	61.4	Low	0 Å²	0	75 Å²	75	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.7	174.6	-63.4	0	0	0	0	112.7	V903 R907 C917 I922	V903-C934 HydrophobicContact CB-CB 3.96Å; V903-C934 WeakPolarHBondContact CB-O 3.44Å; V903-C934 HydrophobicContact CG2-CB 3.84Å; V903-C934 WeakPolarHBondContact CG2-O 3.18Å; V903-C934 PolarHBondContact N-O 3.49Å; R907-C934 HydrophobicContact CB-CB 4.07Å; R907-C934 PolarHBondContact O-N 3.03Å; C917-C934 WeakPolarHBondContact CA-SG 3.26Å; C917-C934 HydrophobicContact CB-CB 3.85Å; C917-C934 WeakPolarHBondContact CB-SG 3.32Å; C917-C934 WeakPolarHBondContact SG-CA 3.21Å; C917-C934 WeakPolarHBondContact SG-CB 3.35Å; C917-C934 CovalentContact SG-SG 2.05Å; C917-C934 PolarHBondContact SG-SG 2.92Å; I922-C934 WeakPolarHBondContact O-CA 3.05Å
935	C	84.8	Confident	59.2	Low	0 Å²	0	77.9 Å²	77.9	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.8	-179.9	-73.8	0	0	0	0	109.6	N895 C896 Y900 T901 S921 I922 H924	N895-C935 PolarHBondContact O-SG 2.99Å; C896-C935 WeakPolarHBondContact CA-SG 3.39Å; C896-C935 HydrophobicContact CB-CB 3.72Å; C896-C935 WeakPolarHBondContact CB-SG 3.36Å; C896-C935 VanDerWaalsContact SG-CA 3.56Å; C896-C935 WeakPolarHBondContact SG-CB 3.46Å; C896-C935 CovalentContact SG-SG 2.03Å; C896-C935 PolarHBondContact SG-SG 3.38Å; Y900-C935 HydrophobicContact CD1-CB 4.45Å; Y900-C935 VanDerWaalsContact CD1-O 3.3Å; Y900-C935 WeakPolarHBondContact CD1-O 3.41Å; Y900-C935 HydrophobicContact CG-CB 4.47Å; T901-C935 CarbonylContact O-C 3.58Å; T901-C935 VanDerWaalsContact O-CA 3.32Å; T901-C935 WeakPolarHBondContact O-CA 3.46Å; S921-C935 CarbonylContact C-O 3.56Å; S921-C935 WeakPolarHBondContact CA-O 3.41Å; S921-C935 VanDerWaalsContact CB-O 3.27Å; S921-C935 WeakPolarHBondContact CB-O 3.04Å; I922-C935 HydrophobicContact CG1-CB 3.86Å; I922-C935 PolarHBondContact N-O 2.95Å; I922-C935 PolarHBondContact O-N 3.03Å; H924-C935 HydrophobicContact CB-CB 4.48Å
936	S	79.5	Confident	57.5	Low	40 Å²	40	78.4 Å²	78.4	28%	0.28	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.6	-178.8	-179.1	0	0	0	0	111.8	Y900 T901 N920 V938	Y900-S936 CarbonylContact C-O 3.44Å; Y900-S936 WeakPolarHBondContact CA-O 3.48Å; Y900-S936 VanDerWaalsContact CD1-C 3.48Å; T901-S936 PolarHBondContact N-O 3.44Å; T901-S936 PolarHBondContact O-N 3.2Å; N920-S936 WeakPolarHBondContact O-CA 3.41Å; S936-V938 PolarHBondContact O-N 2.98Å
937	S	69.8	Low	56.4	Low	44 Å²	44	83.5 Å²	83.5	31%	0.308	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.8	-179.9	58.6	0	0	0	0	112.2	G899 N920 N939	G899-S937 CarbonylContact O-C 3.53Å; G899-S937 WeakPolarHBondContact O-CA 3.47Å; N920-S937 PolarHBondContact O-N 2.81Å; S937-N939 VanDerWaalsContact C-N 3.26Å; S937-N939 PolarHBondContact O-N 2.99Å
938	V	55.4	Low	55.9	Low	75 Å²	75	86.6 Å²	86.6	46%	0.455	52%	0.516	S	S	.	.	S	Bend	trans	-83.7	61.9	-179.1	-155.3	0	0	0	0	111.3	G899 T901 S936	G899-V938 PolarHBondContact O-N 2.62Å; T901-V938 HydrophobicContact CG2-CG1 4.41Å; T901-V938 HydrophobicContact CG2-CG2 3.48Å; T901-V938 VanDerWaalsContact CG2-CG2 3.48Å; S936-V938 PolarHBondContact O-N 2.98Å
939	N	46.4	Very low	56	Low	143 Å²	143	91.3 Å²	91.3	77%	0.765	53%	0.528	S	S	*	.			trans	-173.7	112	162.7	-98	-41.2	0	0	0	110.9	S937	S937-N939 VanDerWaalsContact C-N 3.26Å; S937-N939 PolarHBondContact O-N 2.99Å
940	I	39.3	Very low	56.4	Low	154 Å²	154	93.6 Å²	93.6	79%	0.79	54%	0.537	S	S	*	.			trans	169.7	127.1	138	-88.9	155.8	0	0	0	108.2
941	V	34.4	Very low	57.2	Low	124 Å²	124	93.1 Å²	93.1	75%	0.752	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-68.2	140.2	177.2	176.9	0	0	0	0	109.9	P943	V941-P943 WeakPolarHBondContact O-CD 3.01Å
942	P	30.7	Very low	57.8	Low	120 Å²	120	86.7 Å²	86.7	78%	0.779	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.4	119.6	-179.5	24.9	-35.1	0	0	0	112.6
943	P	36.8	Very low	58.1	Low	105 Å²	105	82.9 Å²	82.9	68%	0.682	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-83.4	163.9	172.3	-9.2	29.2	0	0	0	112.1	V941	V941-P943 WeakPolarHBondContact O-CD 3.01Å
944	P	39.6	Very low	57.9	Low	114 Å²	114	85.6 Å²	85.6	74%	0.74	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-72	167.6	-173.5	-17.8	32.6	0	0	0	114.9	I946	P944-I946 PolarHBondContact O-N 3.34Å
945	S	36.4	Very low	57.4	Low	122 Å²	122	91.2 Å²	91.2	85%	0.853	54%	0.541	S	S	*	.			trans	-60.4	110.3	172.3	34.4	0	0	0	0	112.4
946	I	40.8	Very low	56.9	Low	101 Å²	101	96.2 Å²	96.2	52%	0.518	57%	0.573	S	S	.	*			trans	-79.2	128.4	178.8	-54.4	-178.6	0	0	0	110.1	P944 M992	P944-I946 PolarHBondContact O-N 3.34Å; I946-M992 HydrophobicContact CD1-CE 4.35Å; I946-M992 HydrophobicContact CD1-SD 3.77Å
947	P	46.8	Very low	57.1	Low	108 Å²	108	97.7 Å²	97.7	70%	0.701	57%	0.573	S	S	*	*			trans	-69.8	152.8	177.7	28.1	-34.4	0	0	0	113	Q949	P947-Q949 PolarHBondContact O-N 2.84Å
948	S	46.5	Very low	57.7	Low	125 Å²	125	101.3 Å²	101.3	87%	0.874	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	27	-160.2	51.9	0	0	0	0	117.4
949	Q	55.7	Low	59.2	Low	188 Å²	188	98 Å²	98	88%	0.879	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-7.3	-175.1	-70.5	-172.2	-12.5	0	0	116	P947	P947-Q949 PolarHBondContact O-N 2.84Å
950	F	67.3	Low	61	Low	112 Å²	112	93.6 Å²	93.6	49%	0.491	54%	0.539	S	S	.	.			trans	-82.2	126.4	-178	-160.1	-91.1	0	0	0	112.4	P952 A991 M992	F950-P952 WeakPolarHBondContact O-CD 3.42Å; F950-A991 HydrophobicContact CE1-CB 3.63Å; F950-A991 HydrophobicContact CZ-CB 3.57Å; F950-M992 HydrophobicContact CD1-CG 4.4Å; F950-M992 HydrophobicContact CD1-SD 4.27Å; F950-M992 HydrophobicContact CE1-CG 4.42Å
951	N	77.1	Confident	63	Low	59 Å²	59	91.5 Å²	91.5	32%	0.316	52%	0.522	S	S	.	.			trans	-87.3	113.1	169.4	179.3	7.1	0	0	0	109.6	C953 R957 P959	N951-C953 VanDerWaalsContact C-N 3.28Å; N951-C953 PolarHBondContact O-N 3.26Å; N951-C953 WeakPolarHBondContact OD1-CB 3.45Å; N951-C953 PolarHBondContact OD1-N 2.05Å; N951-R957 PolarHBondContact ND2-O 3.47Å; N951-P959 WeakPolarHBondContact OD1-CD 3.43Å
952	P	80.3	Confident	64.5	Low	4 Å²	4	87.6 Å²	87.6	3%	0.026	50%	0.497	C	S	.	.			trans	-76.3	-14.8	179.6	32.5	-36.4	0	0	0	113.5	F950 P959 P968 S989 M992 F996	F950-P952 WeakPolarHBondContact O-CD 3.42Å; P952-P959 HydrophobicContact CG-CB 4.21Å; P952-P968 HydrophobicContact CG-CB 3.74Å; P952-P968 HydrophobicContact CG-CG 3.89Å; P952-S989 WeakPolarHBondContact O-CB 3.01Å; P952-S989 PolarHBondContact O-OG 3Å; P952-M992 HydrophobicContact CB-CE 3.87Å; P952-M992 HydrophobicContact CB-CG 4.1Å; P952-M992 HydrophobicContact CB-SD 4.22Å; P952-M992 HydrophobicContact CG-CE 4.38Å; P952-F996 HydrophobicContact CB-CD2 3.87Å; P952-F996 HydrophobicContact CB-CE2 4.17Å; P952-F996 HydrophobicContact CB-CG 4.09Å; P952-F996 HydrophobicContact CG-CB 4.4Å; P952-F996 HydrophobicContact CG-CD1 4.27Å; P952-F996 HydrophobicContact CG-CD2 4.36Å; P952-F996 HydrophobicContact CG-CG 4.06Å
953	C	84.1	Confident	65.6	Low	3 Å²	3	87.4 Å²	87.4	2%	0.02	50%	0.496	C	S	.	.	S	Bend	trans	-82	142.3	-176.4	-70.4	0	0	0	0	112.5	N951 P955 R957 P959 C998	N951-C953 VanDerWaalsContact C-N 3.28Å; N951-C953 PolarHBondContact O-N 3.26Å; N951-C953 WeakPolarHBondContact OD1-CB 3.45Å; N951-C953 PolarHBondContact OD1-N 2.05Å; C953-P955 WeakPolarHBondContact O-CD 3.16Å; C953-R957 HydrophobicContact CB-CB 4.05Å; C953-R957 WeakPolarHBondContact CB-O 3.1Å; C953-P959 WeakPolarHBondContact SG-CA 3.14Å; C953-C998 WeakPolarHBondContact CA-SG 3.41Å; C953-C998 HydrophobicContact CB-CB 3.71Å; C953-C998 WeakPolarHBondContact CB-SG 3.32Å; C953-C998 WeakPolarHBondContact SG-CA 3.41Å; C953-C998 WeakPolarHBondContact SG-CB 3.23Å; C953-C998 CovalentContact SG-SG 2.03Å; C953-C998 PolarHBondContact SG-SG 2.88Å
954	P	79.2	Confident	66.2	Low	56 Å²	56	86.8 Å²	86.8	36%	0.364	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-55.7	122.8	172.6	-25.5	34.4	0	0	0	111.2	R957	P954-R957 VanDerWaalsContact O-CB 3.23Å; P954-R957 WeakPolarHBondContact O-CB 3.4Å; P954-R957 WeakPolarHBondContact O-CG 3.28Å; P954-R957 PolarHBondContact O-N 3.1Å
955	P	73.8	Confident	67.4	Low	118 Å²	118	85.5 Å²	85.5	77%	0.766	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	141.7	176.9	-26.8	35.5	0	0	0	111.6	C953	C953-P955 WeakPolarHBondContact O-CD 3.16Å
956	P	75.9	Confident	68.9	Low	105 Å²	105	82.3 Å²	82.3	68%	0.682	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.3	23.4	4.8	38.4	-37.5	0	0	0	114
957	R	83.2	Confident	70.5	Confident	72 Å²	72	83.4 Å²	83.4	27%	0.272	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-74.3	144.1	-176.6	-56.3	-177.4	180	-163.8	2.9	111.7	N951 C953 P954 C998 S999	N951-R957 PolarHBondContact ND2-O 3.47Å; C953-R957 HydrophobicContact CB-CB 4.05Å; C953-R957 WeakPolarHBondContact CB-O 3.1Å; P954-R957 VanDerWaalsContact O-CB 3.23Å; P954-R957 WeakPolarHBondContact O-CB 3.4Å; P954-R957 WeakPolarHBondContact O-CG 3.28Å; P954-R957 PolarHBondContact O-N 3.1Å; R957-C998 HydrophobicContact CB-CB 4.08Å; R957-S999 VanDerWaalsContact CD-O 3.24Å; R957-S999 WeakPolarHBondContact CD-O 3.12Å; R957-S999 VanDerWaalsContact CG-O 3.27Å; R957-S999 WeakPolarHBondContact CG-O 3.46Å
958	Q	82.5	Confident	72.1	Confident	120 Å²	120	79.6 Å²	79.6	56%	0.561	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-98.6	141.5	176.8	-70.2	-85.4	-33.3	0	0	109.5	C998 S999	Q958-C998 CarbonylContact O-C 3.57Å; Q958-C998 WeakPolarHBondContact O-CA 3.48Å; Q958-S999 PolarHBondContact N-OG 2.73Å; Q958-S999 PolarHBondContact O-N 3.37Å
959	P	86.2	Confident	73.9	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.032	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-78.7	147.8	175.5	32.8	-31.9	0	0	0	111.1	N951 P952 C953 Y961 P968 C997	N951-P959 WeakPolarHBondContact OD1-CD 3.43Å; P952-P959 HydrophobicContact CG-CB 4.21Å; C953-P959 WeakPolarHBondContact SG-CA 3.14Å; P959-Y961 HydrophobicContact CG-CD2 4.26Å; P959-Y961 HydrophobicContact CG-CE1 4.49Å; P959-Y961 HydrophobicContact CG-CE2 3.56Å; P959-Y961 PolarHBondContact O-N 3.42Å; P959-P968 HydrophobicContact CB-CB 4.19Å; P959-C997 CarbonylContact C-O 3.51Å; P959-C997 WeakPolarHBondContact CA-O 3.37Å
960	F	83.4	Confident	75.2	Confident	50 Å²	50	68.8 Å²	68.8	22%	0.219	39%	0.39	C	S	.	.			trans	-78.3	112.9	163.8	-176.9	-95.3	0	0	0	108.6	L969 P981 Y984 C997	F960-L969 HydrophobicContact CD1-CB 3.77Å; F960-L969 HydrophobicContact CD1-CD2 3.63Å; F960-L969 HydrophobicContact CD1-CG 4.36Å; F960-L969 HydrophobicContact CE1-CD2 4.02Å; F960-L969 WeakPolarHBondContact O-CB 3.33Å; F960-L969 PolarHBondContact O-N 3.33Å; F960-P981 HydrophobicContact CD1-CG 3.92Å; F960-P981 HydrophobicContact CD2-CB 4.35Å; F960-P981 HydrophobicContact CD2-CG 3.94Å; F960-P981 HydrophobicContact CE1-CG 3.77Å; F960-P981 HydrophobicContact CE2-CB 4.21Å; F960-P981 HydrophobicContact CE2-CG 3.8Å; F960-P981 HydrophobicContact CG-CG 4Å; F960-P981 HydrophobicContact CZ-CG 3.72Å; F960-Y984 HydrophobicContact CB-CD1 3.67Å; F960-Y984 HydrophobicContact CB-CD2 4.26Å; F960-Y984 HydrophobicContact CB-CE1 3.71Å; F960-Y984 HydrophobicContact CB-CE2 4.3Å; F960-Y984 HydrophobicContact CB-CG 3.97Å; F960-Y984 HydrophobicContact CD2-CD2 4.06Å; F960-Y984 HydrophobicContact CD2-CE1 4.49Å; F960-Y984 AromaticContact CD2-CE2 3.71Å; F960-Y984 HydrophobicContact CD2-CE2 3.71Å; F960-Y984 AromaticContact CD2-CZ 3.94Å; F960-Y984 HydrophobicContact CG-CE2 4.47Å; F960-C997 HydrophobicContact CB-CB 3.92Å; F960-C997 PolarHBondContact N-O 2.92Å
961	Y	81.2	Confident	75.9	Confident	111 Å²	111	63.9 Å²	63.9	44%	0.435	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-80.3	127	170.1	-68.4	-83.1	0	0	0	109.7	P959 P963 G966 Q967 P968	P959-Y961 HydrophobicContact CG-CD2 4.26Å; P959-Y961 HydrophobicContact CG-CE1 4.49Å; P959-Y961 HydrophobicContact CG-CE2 3.56Å; P959-Y961 PolarHBondContact O-N 3.42Å; Y961-P963 WeakPolarHBondContact O-CD 3.13Å; Y961-G966 WeakPolarHBondContact CD1-O 3.42Å; Y961-Q967 WeakPolarHBondContact CA-O 3.16Å; Y961-P968 HydrophobicContact CD1-CG 4.18Å; Y961-P968 HydrophobicContact CE1-CG 3.79Å
962	N	67.8	Low	75.7	Confident	42 Å²	42	67 Å²	67	23%	0.225	39%	0.385	C	S	.	.			trans	-66.3	119.6	175.5	177.1	-17.8	0	0	0	109.3	T964 T965 G966 Q967	N962-T964 PolarHBondContact O-N 2.97Å; N962-T964 VanDerWaalsContact O-N 3.12Å; N962-T964 WeakPolarHBondContact OD1-CB 3.26Å; N962-T964 PolarHBondContact OD1-N 2.88Å; N962-T965 WeakPolarHBondContact CB-OG1 3.18Å; N962-T965 PolarHBondContact O-N 3.46Å; N962-T965 VanDerWaalsContact O-N 3.14Å; N962-G966 PolarHBondContact O-N 3.19Å; N962-Q967 PolarHBondContact N-O 2.84Å
963	P	53.3	Low	74.9	Confident	116 Å²	116	72.2 Å²	72.2	75%	0.753	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.1	-174.9	27.2	-35.7	0	0	0	113.7	Y961	Y961-P963 WeakPolarHBondContact O-CD 3.13Å
964	T	48.2	Very low	73.5	Confident	91 Å²	91	76.1 Å²	76.1	56%	0.558	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-23.2	178.6	-47	0	0	0	0	112.8	M528 N962	M528-T964 HydrophobicContact CE-CG2 3.86Å; M528-T964 HydrophobicContact SD-CG2 4.16Å; N962-T964 PolarHBondContact O-N 2.97Å; N962-T964 VanDerWaalsContact O-N 3.12Å; N962-T964 WeakPolarHBondContact OD1-CB 3.26Å; N962-T964 PolarHBondContact OD1-N 2.88Å
965	T	65.4	Low	71.8	Confident	87 Å²	87	77.3 Å²	77.3	53%	0.534	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-9.9	-173.4	67.9	0	0	0	0	114.8	N962 Q967	N962-T965 WeakPolarHBondContact CB-OG1 3.18Å; N962-T965 PolarHBondContact O-N 3.46Å; N962-T965 VanDerWaalsContact O-N 3.14Å; T965-Q967 PolarHBondContact O-N 2.9Å; T965-Q967 VanDerWaalsContact O-N 3.12Å; T965-Q967 PolarHBondContact OG1-N 3.42Å
966	G	68.8	Low	70.6	Confident	56 Å²	56	77.5 Å²	77.5	58%	0.577	47%	0.471	S	S	*	.	S	Bend	trans	66.5	6	-175.8	0	0	0	0	0	114.6	Y961 N962	Y961-G966 WeakPolarHBondContact CD1-O 3.42Å; N962-G966 PolarHBondContact O-N 3.19Å
967	Q	73	Confident	69.5	Low	123 Å²	123	77.1 Å²	77.1	58%	0.575	47%	0.47	S	S	*	.	S	Bend	trans	-105.2	152.8	-175.6	-64	-128.6	-23.3	0	0	112.2	Y961 N962 T965 L969	Y961-Q967 WeakPolarHBondContact CA-O 3.16Å; N962-Q967 PolarHBondContact N-O 2.84Å; T965-Q967 PolarHBondContact O-N 2.9Å; T965-Q967 VanDerWaalsContact O-N 3.12Å; T965-Q967 PolarHBondContact OG1-N 3.42Å; Q967-L969 PolarHBondContact O-N 2.97Å
968	P	80.6	Confident	68.3	Low	28 Å²	28	75.5 Å²	75.5	18%	0.182	47%	0.47	C	S	.	.	B	Isolated β-bridge	trans	-55.5	126.2	172.3	-25.2	35.4	0	0	0	111.7	P952 P959 Y961 A970 F996	P952-P968 HydrophobicContact CG-CB 3.74Å; P952-P968 HydrophobicContact CG-CG 3.89Å; P959-P968 HydrophobicContact CB-CB 4.19Å; Y961-P968 HydrophobicContact CD1-CG 4.18Å; Y961-P968 HydrophobicContact CE1-CG 3.79Å; P968-A970 PolarHBondContact O-N 3.19Å; P968-F996 HydrophobicContact CB-CD1 3.74Å; P968-F996 HydrophobicContact CB-CE1 4.13Å
969	L	83.7	Confident	67.6	Low	41 Å²	41	72.5 Å²	72.5	22%	0.215	47%	0.471	C	S	.	.			trans	-70.7	115	-179.8	178.8	63.7	0	0	0	110.4	F960 Q967 P981 F996 C997	F960-L969 HydrophobicContact CD1-CB 3.77Å; F960-L969 HydrophobicContact CD1-CD2 3.63Å; F960-L969 HydrophobicContact CD1-CG 4.36Å; F960-L969 HydrophobicContact CE1-CD2 4.02Å; F960-L969 WeakPolarHBondContact O-CB 3.33Å; F960-L969 PolarHBondContact O-N 3.33Å; Q967-L969 PolarHBondContact O-N 2.97Å; L969-P981 HydrophobicContact CD2-CG 4.37Å; L969-F996 WeakPolarHBondContact O-CA 3.5Å; L969-C997 HydrophobicContact CB-CB 4.42Å; L969-C997 HydrophobicContact CD2-CB 4.5Å; L969-C997 PolarHBondContact O-N 2.9Å
970	A	83.7	Confident	67.3	Low	46 Å²	46	73.3 Å²	73.3	38%	0.38	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-71.2	154.7	169.1	0	0	0	0	0	111.3	P968 Y995 F996	P968-A970 PolarHBondContact O-N 3.19Å; A970-Y995 CarbonylContact C-O 3.57Å; A970-Y995 WeakPolarHBondContact CA-O 3.49Å; A970-F996 HydrophobicContact CB-CD1 4.35Å; A970-F996 HydrophobicContact CB-CE1 4.15Å
971	C	83.1	Confident	67.1	Low	8 Å²	8	73.1 Å²	73.1	5%	0.054	48%	0.481	C	S	.	.			trans	-143.8	175.9	-177.2	59	0	0	0	0	111.5	S978 C986 Y995 F996	C971-S978 WeakPolarHBondContact CB-O 3.43Å; C971-C986 HydrophobicContact CB-CB 3.85Å; C971-C986 WeakPolarHBondContact CB-SG 3.05Å; C971-C986 WeakPolarHBondContact SG-CA 3.45Å; C971-C986 WeakPolarHBondContact SG-CB 3.34Å; C971-C986 CovalentContact SG-SG 2.04Å; C971-C986 PolarHBondContact SG-SG 3.05Å; C971-Y995 PolarHBondContact N-O 2.73Å; C971-Y995 WeakPolarHBondContact O-CB 3.45Å; C971-Y995 VanDerWaalsContact SG-C 3.55Å; C971-F996 PolarHBondContact SG-N 2.95Å
972	L	71.5	Confident	66.6	Low	124 Å²	124	75.8 Å²	75.8	65%	0.649	50%	0.502	S	S	*	.			trans	-126.8	140.3	177.4	-62.9	174	0	0	0	110
973	L	63.8	Low	67	Low	114 Å²	114	75.7 Å²	75.7	60%	0.597	51%	0.512	S	S	*	.	S	Bend	trans	-76.9	144.3	164	-77.7	-179.5	0	0	0	109.9	Y995	L973-Y995 HydrophobicContact CD1-CD1 4.22Å; L973-Y995 HydrophobicContact CD1-CE1 3.4Å; L973-Y995 HydrophobicContact CG-CD1 4.08Å; L973-Y995 HydrophobicContact CG-CE1 3.75Å
974	G	54.9	Low	68.5	Low	85 Å²	85	73.1 Å²	73.1	88%	0.876	49%	0.488	S	S	*	.	S	Bend	trans	113.6	-18.1	168.7	0	0	0	0	0	116
975	T	44.1	Very low	70.2	Confident	82 Å²	82	71.6 Å²	71.6	50%	0.503	48%	0.476	S	S	.	.	S	Bend	trans	-91.9	139.9	176.5	51	0	0	0	0	112.3	S977	T975-S977 WeakPolarHBondContact CB-O 3.23Å; T975-S977 CarbonylContact O-C 3.54Å; T975-S977 PolarHBondContact O-N 2.8Å; T975-S977 VanDerWaalsContact O-N 3.09Å; T975-S977 PolarHBondContact OG1-O 3.1Å
976	A	47.6	Very low	71.2	Confident	122 Å²	122	68.4 Å²	68.4	100%	1.008	46%	0.457	S	S	*	.	S	Bend	trans	-59.5	-22.2	-179.5	0	0	0	0	0	113.8
977	S	53.2	Low	72	Confident	96 Å²	96	66.5 Å²	66.5	67%	0.671	44%	0.435	S	S	*	.	S	Bend	trans	-109.8	111.6	156.9	50.6	0	0	0	0	109	T975 G979	T975-S977 WeakPolarHBondContact CB-O 3.23Å; T975-S977 CarbonylContact O-C 3.54Å; T975-S977 PolarHBondContact O-N 2.8Å; T975-S977 VanDerWaalsContact O-N 3.09Å; T975-S977 PolarHBondContact OG1-O 3.1Å; S977-G979 PolarHBondContact O-N 3.31Å
978	S	59.2	Low	72.5	Confident	38 Å²	38	65.7 Å²	65.7	27%	0.266	43%	0.428	S	S	.	.			trans	-73.4	23.7	-171.6	65.7	0	0	0	0	115.6	C971 C980	C971-S978 WeakPolarHBondContact CB-O 3.43Å; S978-C980 PolarHBondContact O-N 2.04Å; S978-C980 PolarHBondContact O-SG 3.14Å
979	G	66.9	Low	72.6	Confident	57 Å²	57	64.5 Å²	64.5	59%	0.588	42%	0.421	S	S	*	.	S	Bend	trans	68.1	-18.3	-172.8	0	0	0	0	0	115.5	S977	S977-G979 PolarHBondContact O-N 3.31Å
980	C	81	Confident	72.2	Confident	23 Å²	23	66.3 Å²	66.3	16%	0.155	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-86.1	138.9	-173.2	-61.6	0	0	0	0	114.3	S978 C997	S978-C980 PolarHBondContact O-N 2.04Å; S978-C980 PolarHBondContact O-SG 3.14Å; C980-C997 WeakPolarHBondContact CA-SG 3.32Å; C980-C997 HydrophobicContact CB-CB 3.74Å; C980-C997 WeakPolarHBondContact CB-SG 3.02Å; C980-C997 WeakPolarHBondContact SG-CA 3.28Å; C980-C997 WeakPolarHBondContact SG-CB 3.43Å; C980-C997 CovalentContact SG-SG 2.04Å; C980-C997 PolarHBondContact SG-SG 3.3Å
981	P	78.6	Confident	71.5	Confident	45 Å²	45	67.5 Å²	67.5	29%	0.292	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-59.8	155.5	170.7	-25.5	35.7	0	0	0	113.5	F960 L969 G983 Y984	F960-P981 HydrophobicContact CD1-CG 3.92Å; F960-P981 HydrophobicContact CD2-CB 4.35Å; F960-P981 HydrophobicContact CD2-CG 3.94Å; F960-P981 HydrophobicContact CE1-CG 3.77Å; F960-P981 HydrophobicContact CE2-CB 4.21Å; F960-P981 HydrophobicContact CE2-CG 3.8Å; F960-P981 HydrophobicContact CG-CG 4Å; F960-P981 HydrophobicContact CZ-CG 3.72Å; L969-P981 HydrophobicContact CD2-CG 4.37Å; P981-G983 PolarHBondContact O-N 2.87Å; P981-Y984 PolarHBondContact O-N 3.21Å
982	N	71	Confident	70.8	Confident	167 Å²	167	69.6 Å²	69.6	89%	0.893	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	132.2	176	-75.2	-32.7	0	0	0	111.8
983	G	75.5	Confident	71.1	Confident	41 Å²	41	72 Å²	72	42%	0.423	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-15.1	-173.9	0	0	0	0	0	114.7	P981 R1000	P981-G983 PolarHBondContact O-N 2.87Å; G983-R1000 WeakPolarHBondContact O-CG 3.49Å; G983-R1000 PolarHBondContact O-N 3.3Å
984	Y	84.8	Confident	71.8	Confident	62 Å²	62	69.8 Å²	69.8	24%	0.243	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	147.9	176.2	-62.3	-100.9	0	0	0	110.6	F960 P981 C998	F960-Y984 HydrophobicContact CB-CD1 3.67Å; F960-Y984 HydrophobicContact CB-CD2 4.26Å; F960-Y984 HydrophobicContact CB-CE1 3.71Å; F960-Y984 HydrophobicContact CB-CE2 4.3Å; F960-Y984 HydrophobicContact CB-CG 3.97Å; F960-Y984 HydrophobicContact CD2-CD2 4.06Å; F960-Y984 HydrophobicContact CD2-CE1 4.49Å; F960-Y984 AromaticContact CD2-CE2 3.71Å; F960-Y984 HydrophobicContact CD2-CE2 3.71Å; F960-Y984 AromaticContact CD2-CZ 3.94Å; F960-Y984 HydrophobicContact CG-CE2 4.47Å; P981-Y984 PolarHBondContact O-N 3.21Å; Y984-C998 WeakPolarHBondContact CA-O 3.03Å
985	N	84	Confident	73.3	Confident	59 Å²	59	69.4 Å²	69.4	32%	0.316	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.8	169.3	-88.8	6.4	0	0	0	109.3	A987 C998 R1000	N985-A987 PolarHBondContact O-N 2.03Å; N985-C998 PolarHBondContact N-O 3.5Å; N985-C998 PolarHBondContact O-N 2.86Å; N985-C998 VanDerWaalsContact O-O 3.14Å; N985-R1000 HydrophobicContact CB-CG 4.38Å; N985-R1000 PolarHBondContact OD1-NE 2.79Å; N985-R1000 PolarHBondContact OD1-NH2 2.92Å
986	C	86.9	Confident	75.5	Confident	20 Å²	20	66.1 Å²	66.1	14%	0.135	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	126.1	171.5	-165.5	0	0	0	0	110.2	C971	C971-C986 HydrophobicContact CB-CB 3.85Å; C971-C986 WeakPolarHBondContact CB-SG 3.05Å; C971-C986 WeakPolarHBondContact SG-CA 3.45Å; C971-C986 WeakPolarHBondContact SG-CB 3.34Å; C971-C986 CovalentContact SG-SG 2.04Å; C971-C986 PolarHBondContact SG-SG 3.05Å
987	A	85	Confident	77.5	Confident	15 Å²	15	60.3 Å²	60.3	12%	0.124	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.9	-179.2	0	0	0	0	0	111	N985 Y995 F996 C998	N985-A987 PolarHBondContact O-N 2.03Å; A987-Y995 WeakPolarHBondContact O-CA 3.42Å; A987-F996 PolarHBondContact N-O 3.36Å; A987-F996 PolarHBondContact O-N 3.47Å; A987-C998 HydrophobicContact CB-CB 3.96Å
988	Y	84.3	Confident	79.2	Confident	106 Å²	106	55.8 Å²	55.8	42%	0.416	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.6	-178.3	-170.3	-116.1	0	0	0	111.8	A990 Y995	Y988-A990 HydrophobicContact CE1-CB 4.42Å; Y988-Y995 HydrophobicContact CD2-CD1 4.08Å; Y988-Y995 AromaticContact CD2-CD2 3.93Å; Y988-Y995 HydrophobicContact CD2-CD2 3.93Å; Y988-Y995 AromaticContact CD2-CE1 3.85Å; Y988-Y995 HydrophobicContact CD2-CE1 3.85Å; Y988-Y995 AromaticContact CD2-CE2 3.69Å; Y988-Y995 HydrophobicContact CD2-CE2 3.69Å; Y988-Y995 HydrophobicContact CD2-CG 4.1Å; Y988-Y995 AromaticContact CD2-CZ 3.64Å; Y988-Y995 HydrophobicContact CE2-CE2 4.2Å; Y988-Y995 HydrophobicContact CG-CD1 4.48Å; Y988-Y995 HydrophobicContact CG-CE1 4.14Å
989	S	82	Confident	80.3	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.028	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	105.9	166.9	-170.2	0	0	0	0	109.4	P952 A991 M992 K993 N994	P952-S989 WeakPolarHBondContact O-CB 3.01Å; P952-S989 PolarHBondContact O-OG 3Å; S989-A991 PolarHBondContact O-N 3.43Å; S989-M992 PolarHBondContact O-N 3.41Å; S989-M992 PolarHBondContact OG-N 2.84Å; S989-K993 WeakPolarHBondContact O-CA 3.37Å; S989-K993 PolarHBondContact O-N 2.92Å; S989-N994 WeakPolarHBondContact CB-O 3.47Å; S989-N994 PolarHBondContact N-O 2.85Å; S989-N994 PolarHBondContact O-N 3.16Å
990	A	75.5	Confident	80.4	Confident	79 Å²	79	58.8 Å²	58.8	65%	0.653	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.8	174.8	0	0	0	0	0	112.2	Y988	Y988-A990 HydrophobicContact CE1-CB 4.42Å
991	A	68.1	Low	79.3	Confident	71 Å²	71	61.8 Å²	61.8	59%	0.587	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-40.2	179.3	0	0	0	0	0	113	F950 S989	F950-A991 HydrophobicContact CE1-CB 3.63Å; F950-A991 HydrophobicContact CZ-CB 3.57Å; S989-A991 PolarHBondContact O-N 3.43Å
992	M	69.5	Low	77.9	Confident	52 Å²	52	62.7 Å²	62.7	26%	0.256	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	7.9	-178.6	-48	-139.1	-45.5	0	0	113.6	I946 F950 P952 S989 N994 F996	I946-M992 HydrophobicContact CD1-CE 4.35Å; I946-M992 HydrophobicContact CD1-SD 3.77Å; F950-M992 HydrophobicContact CD1-CG 4.4Å; F950-M992 HydrophobicContact CD1-SD 4.27Å; F950-M992 HydrophobicContact CE1-CG 4.42Å; P952-M992 HydrophobicContact CB-CE 3.87Å; P952-M992 HydrophobicContact CB-CG 4.1Å; P952-M992 HydrophobicContact CB-SD 4.22Å; P952-M992 HydrophobicContact CG-CE 4.38Å; S989-M992 PolarHBondContact O-N 3.41Å; S989-M992 PolarHBondContact OG-N 2.84Å; M992-N994 PolarHBondContact O-N 2.69Å; M992-F996 HydrophobicContact CB-CE2 3.9Å; M992-F996 HydrophobicContact CB-CZ 4.26Å; M992-F996 HydrophobicContact CE-CE1 3.79Å; M992-F996 HydrophobicContact CE-CE2 3.81Å; M992-F996 HydrophobicContact CE-CZ 3.27Å
993	K	77.5	Confident	76.2	Confident	173 Å²	173	59.2 Å²	59.2	75%	0.752	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	28.5	-179.8	-65.6	-173.7	176.3	-178.4	0	115.6	S989	S989-K993 WeakPolarHBondContact O-CA 3.37Å; S989-K993 PolarHBondContact O-N 2.92Å
994	N	78.7	Confident	74.4	Confident	68 Å²	68	62.6 Å²	62.6	36%	0.364	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.8	-174.7	-165.5	5.1	0	0	0	110.3	S989 M992 F996	S989-N994 WeakPolarHBondContact CB-O 3.47Å; S989-N994 PolarHBondContact N-O 2.85Å; S989-N994 PolarHBondContact O-N 3.16Å; M992-N994 PolarHBondContact O-N 2.69Å; N994-F996 HydrophobicContact CB-CE2 3.78Å; N994-F996 HydrophobicContact CB-CZ 4.09Å; N994-F996 WeakPolarHBondContact O-CD2 3.45Å; N994-F996 WeakPolarHBondContact O-CE2 3.29Å
995	Y	86.2	Confident	72.1	Confident	78 Å²	78	61.9 Å²	61.9	31%	0.306	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.2	-179.6	-66.5	-94.3	0	0	0	111.6	A970 C971 L973 A987 Y988	A970-Y995 CarbonylContact C-O 3.57Å; A970-Y995 WeakPolarHBondContact CA-O 3.49Å; C971-Y995 PolarHBondContact N-O 2.73Å; C971-Y995 WeakPolarHBondContact O-CB 3.45Å; C971-Y995 VanDerWaalsContact SG-C 3.55Å; L973-Y995 HydrophobicContact CD1-CD1 4.22Å; L973-Y995 HydrophobicContact CD1-CE1 3.4Å; L973-Y995 HydrophobicContact CG-CD1 4.08Å; L973-Y995 HydrophobicContact CG-CE1 3.75Å; A987-Y995 WeakPolarHBondContact O-CA 3.42Å; Y988-Y995 HydrophobicContact CD2-CD1 4.08Å; Y988-Y995 AromaticContact CD2-CD2 3.93Å; Y988-Y995 HydrophobicContact CD2-CD2 3.93Å; Y988-Y995 AromaticContact CD2-CE1 3.85Å; Y988-Y995 HydrophobicContact CD2-CE1 3.85Å; Y988-Y995 AromaticContact CD2-CE2 3.69Å; Y988-Y995 HydrophobicContact CD2-CE2 3.69Å; Y988-Y995 HydrophobicContact CD2-CG 4.1Å; Y988-Y995 AromaticContact CD2-CZ 3.64Å; Y988-Y995 HydrophobicContact CE2-CE2 4.2Å; Y988-Y995 HydrophobicContact CG-CD1 4.48Å; Y988-Y995 HydrophobicContact CG-CE1 4.14Å
996	F	89.3	Confident	70.3	Confident	13 Å²	13	64.6 Å²	64.6	6%	0.057	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153	-179.6	-65	-88.5	0	0	0	112.1	P952 P968 L969 A970 C971 A987 M992 N994 C998	P952-F996 HydrophobicContact CB-CD2 3.87Å; P952-F996 HydrophobicContact CB-CE2 4.17Å; P952-F996 HydrophobicContact CB-CG 4.09Å; P952-F996 HydrophobicContact CG-CB 4.4Å; P952-F996 HydrophobicContact CG-CD1 4.27Å; P952-F996 HydrophobicContact CG-CD2 4.36Å; P952-F996 HydrophobicContact CG-CG 4.06Å; P968-F996 HydrophobicContact CB-CD1 3.74Å; P968-F996 HydrophobicContact CB-CE1 4.13Å; L969-F996 WeakPolarHBondContact O-CA 3.5Å; A970-F996 HydrophobicContact CB-CD1 4.35Å; A970-F996 HydrophobicContact CB-CE1 4.15Å; C971-F996 PolarHBondContact SG-N 2.95Å; A987-F996 PolarHBondContact N-O 3.36Å; A987-F996 PolarHBondContact O-N 3.47Å; M992-F996 HydrophobicContact CB-CE2 3.9Å; M992-F996 HydrophobicContact CB-CZ 4.26Å; M992-F996 HydrophobicContact CE-CE1 3.79Å; M992-F996 HydrophobicContact CE-CE2 3.81Å; M992-F996 HydrophobicContact CE-CZ 3.27Å; N994-F996 HydrophobicContact CB-CE2 3.78Å; N994-F996 HydrophobicContact CB-CZ 4.09Å; N994-F996 WeakPolarHBondContact O-CD2 3.45Å; N994-F996 WeakPolarHBondContact O-CE2 3.29Å; F996-C998 PolarHBondContact O-N 2.88Å; F996-C998 PolarHBondContact O-SG 2.89Å; F996-C998 VanDerWaalsContact O-SG 3.36Å
997	C	90.2	Very high	68.5	Low	0 Å²	0	66.8 Å²	66.8	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	106.5	175.1	-66.6	0	0	0	0	110.7	P959 F960 L969 C980	P959-C997 CarbonylContact C-O 3.51Å; P959-C997 WeakPolarHBondContact CA-O 3.37Å; F960-C997 HydrophobicContact CB-CB 3.92Å; F960-C997 PolarHBondContact N-O 2.92Å; L969-C997 HydrophobicContact CB-CB 4.42Å; L969-C997 HydrophobicContact CD2-CB 4.5Å; L969-C997 PolarHBondContact O-N 2.9Å; C980-C997 WeakPolarHBondContact CA-SG 3.32Å; C980-C997 HydrophobicContact CB-CB 3.74Å; C980-C997 WeakPolarHBondContact CB-SG 3.02Å; C980-C997 WeakPolarHBondContact SG-CA 3.28Å; C980-C997 WeakPolarHBondContact SG-CB 3.43Å; C980-C997 CovalentContact SG-SG 2.04Å; C980-C997 PolarHBondContact SG-SG 3.3Å
998	C	88.7	Confident	66.9	Low	1 Å²	1	76.5 Å²	76.5	1%	0.007	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.2	-172.5	-62.5	0	0	0	0	111.2	C953 R957 Q958 Y984 N985 A987 F996	C953-C998 WeakPolarHBondContact CA-SG 3.41Å; C953-C998 HydrophobicContact CB-CB 3.71Å; C953-C998 WeakPolarHBondContact CB-SG 3.32Å; C953-C998 WeakPolarHBondContact SG-CA 3.41Å; C953-C998 WeakPolarHBondContact SG-CB 3.23Å; C953-C998 CovalentContact SG-SG 2.03Å; C953-C998 PolarHBondContact SG-SG 2.88Å; R957-C998 HydrophobicContact CB-CB 4.08Å; Q958-C998 CarbonylContact O-C 3.57Å; Q958-C998 WeakPolarHBondContact O-CA 3.48Å; Y984-C998 WeakPolarHBondContact CA-O 3.03Å; N985-C998 PolarHBondContact N-O 3.5Å; N985-C998 PolarHBondContact O-N 2.86Å; N985-C998 VanDerWaalsContact O-O 3.14Å; A987-C998 HydrophobicContact CB-CB 3.96Å; F996-C998 PolarHBondContact O-N 2.88Å; F996-C998 PolarHBondContact O-SG 2.89Å; F996-C998 VanDerWaalsContact O-SG 3.36Å
999	S	83.5	Confident	65.9	Low	18 Å²	18	77.7 Å²	77.7	13%	0.126	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	144.3	-173.5	67.2	0	0	0	0	112.4	R957 Q958 T1001	R957-S999 VanDerWaalsContact CD-O 3.24Å; R957-S999 WeakPolarHBondContact CD-O 3.12Å; R957-S999 VanDerWaalsContact CG-O 3.27Å; R957-S999 WeakPolarHBondContact CG-O 3.46Å; Q958-S999 PolarHBondContact N-OG 2.73Å; Q958-S999 PolarHBondContact O-N 3.37Å; S999-T1001 PolarHBondContact O-N 3.04Å
1000	R	68.7	Low	65.5	Low	140 Å²	140	78.2 Å²	78.2	53%	0.528	45%	0.451	S	S	.	.	S	Bend	trans	-71.6	79.2	174.1	-67.9	178.5	-178.1	-170.5	-1.6	110.5	G983 N985	G983-R1000 WeakPolarHBondContact O-CG 3.49Å; G983-R1000 PolarHBondContact O-N 3.3Å; N985-R1000 HydrophobicContact CB-CG 4.38Å; N985-R1000 PolarHBondContact OD1-NE 2.79Å; N985-R1000 PolarHBondContact OD1-NH2 2.92Å
1001	T	57.9	Low	65.8	Low	85 Å²	85	75.4 Å²	75.4	52%	0.521	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.6	104.1	162.1	47.9	0	0	0	0	117	S999 S1003	S999-T1001 PolarHBondContact O-N 3.04Å; T1001-S1003 PolarHBondContact O-N 2.04Å
1002	G	48.2	Very low	66.2	Low	65 Å²	65	74.8 Å²	74.8	67%	0.67	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	-9.6	158	0	0	0	0	0	117.6
1003	S	36.6	Very low	66.1	Low	93 Å²	93	77.5 Å²	77.5	65%	0.65	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-73.6	128.5	174.6	-64.8	0	0	0	0	111.2	T1001	T1001-S1003 PolarHBondContact O-N 2.04Å
1004	P	36.8	Very low	65.8	Low	113 Å²	113	72 Å²	72	73%	0.734	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-60.2	157.7	171.2	-23	34.2	0	0	0	112.3
1005	G	37.7	Very low	65.9	Low	46 Å²	46	70.5 Å²	70.5	47%	0.474	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-62.2	170	175.2	0	0	0	0	0	113.6	T1007	G1005-T1007 PolarHBondContact O-N 3.39Å; G1005-T1007 PolarHBondContact O-OG1 3.49Å
1006	P	46.1	Very low	65.6	Low	116 Å²	116	71.6 Å²	71.6	75%	0.753	44%	0.438	S	S	*	.	S	Bend	trans	-74.1	66.6	-178	32.2	-36.7	0	0	0	112.1
1007	T	47.2	Very low	65.4	Low	67 Å²	67	72 Å²	72	41%	0.411	44%	0.441	S	S	.	.			trans	-131.7	-5.1	-168	56.9	0	0	0	0	115.6	G1005	G1005-T1007 PolarHBondContact O-N 3.39Å; G1005-T1007 PolarHBondContact O-OG1 3.49Å
1008	R	51.8	Low	65.1	Low	219 Å²	219	72.2 Å²	72.2	83%	0.826	44%	0.443	S	S	*	.	S	Bend	trans	-103.1	-45.5	-178.8	-82	-168.1	168.1	-159.9	-4.2	116.5
1009	N	63.6	Low	64.7	Low	130 Å²	130	76.1 Å²	76.1	70%	0.695	46%	0.463	S	S	*	.	S	Bend	trans	-108.8	49	-168.3	-66	8.4	0	0	0	113.1	R1047	N1009-R1047 VanDerWaalsContact O-CZ 3.25Å; N1009-R1047 PolarHBondContact O-NE 3.04Å; N1009-R1047 PolarHBondContact O-NH2 3.05Å
1010	V	74.5	Confident	63.8	Low	15 Å²	15	76.7 Å²	76.7	9%	0.091	47%	0.465	C	S	.	.	S	Bend	trans	-99.9	-26.6	-173.7	178.3	0	0	0	0	113	P1026 R1047 Y1054	V1010-P1026 HydrophobicContact CB-CB 4.45Å; V1010-P1026 HydrophobicContact CB-CG 4.33Å; V1010-P1026 HydrophobicContact CG1-CB 3.89Å; V1010-P1026 HydrophobicContact CG1-CG 4.26Å; V1010-P1026 HydrophobicContact CG2-CG 4.1Å; V1010-R1047 WeakPolarHBondContact O-CD 3.39Å; V1010-Y1054 HydrophobicContact CG1-CD1 3.43Å; V1010-Y1054 VanDerWaalsContact CG1-CD1 3.43Å; V1010-Y1054 HydrophobicContact CG1-CD2 3.46Å; V1010-Y1054 VanDerWaalsContact CG1-CD2 3.46Å; V1010-Y1054 HydrophobicContact CG1-CE1 3.69Å; V1010-Y1054 HydrophobicContact CG1-CE2 3.72Å; V1010-Y1054 HydrophobicContact CG1-CG 3.3Å
1011	C	80.6	Confident	63.6	Low	20 Å²	20	75.2 Å²	75.2	14%	0.135	47%	0.474	C	S	.	.	S	Bend	trans	-107.1	165.3	173.3	-69.3	0	0	0	0	111.2	Q1015 P1017 C1056	C1011-Q1015 HydrophobicContact CB-CB 3.9Å; C1011-Q1015 VanDerWaalsContact CB-O 3.25Å; C1011-Q1015 WeakPolarHBondContact CB-O 3.16Å; C1011-P1017 VanDerWaalsContact SG-CA 3.51Å; C1011-C1056 WeakPolarHBondContact CA-SG 3.02Å; C1011-C1056 HydrophobicContact CB-CB 3.69Å; C1011-C1056 WeakPolarHBondContact CB-SG 3.38Å; C1011-C1056 WeakPolarHBondContact SG-CA 3.05Å; C1011-C1056 WeakPolarHBondContact SG-CB 3.24Å; C1011-C1056 CovalentContact SG-SG 2.03Å; C1011-C1056 PolarHBondContact SG-SG 3.38Å
1012	P	77.3	Confident	63.2	Low	59 Å²	59	79.6 Å²	79.6	38%	0.383	49%	0.49	S	S	.	.	S	Bend	trans	-55.2	155.9	170.8	-24.4	34.5	0	0	0	112.2	G1014 Q1015 T1045	P1012-G1014 PolarHBondContact O-N 2.04Å; P1012-Q1015 WeakPolarHBondContact O-CB 3.28Å; P1012-Q1015 PolarHBondContact O-N 2.82Å; P1012-T1045 HydrophobicContact CG-CG2 3.78Å
1013	A	68	Low	64.1	Low	108 Å²	108	80.5 Å²	80.5	89%	0.893	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	130.4	-179.8	0	0	0	0	0	111.8	Q1015	A1013-Q1015 VanDerWaalsContact C-N 3.33Å; A1013-Q1015 PolarHBondContact O-N 2.77Å
1014	G	70.4	Confident	65.8	Low	57 Å²	57	86 Å²	86	59%	0.588	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-15.6	-175.2	0	0	0	0	0	115.6	P1012 Y1059	P1012-G1014 PolarHBondContact O-N 2.04Å; G1014-Y1059 WeakPolarHBondContact O-CE2 3.36Å
1015	Q	80.3	Confident	67.3	Low	38 Å²	38	86.5 Å²	86.5	18%	0.178	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-94.2	137.5	177.9	-62.5	-174.3	3.7	0	0	111.9	C1011 P1012 A1013 C1056 R1057 Y1059	C1011-Q1015 HydrophobicContact CB-CB 3.9Å; C1011-Q1015 VanDerWaalsContact CB-O 3.25Å; C1011-Q1015 WeakPolarHBondContact CB-O 3.16Å; P1012-Q1015 WeakPolarHBondContact O-CB 3.28Å; P1012-Q1015 PolarHBondContact O-N 2.82Å; A1013-Q1015 VanDerWaalsContact C-N 3.33Å; A1013-Q1015 PolarHBondContact O-N 2.77Å; Q1015-C1056 HydrophobicContact CB-CB 4.29Å; Q1015-R1057 VanDerWaalsContact CG-O 3.27Å; Q1015-R1057 WeakPolarHBondContact CG-O 3.03Å; Q1015-Y1059 HydrophobicContact CG-CD2 4.43Å
1016	E	80.7	Confident	69.2	Low	100 Å²	100	85 Å²	85	47%	0.467	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-93.4	139.7	177.1	-61.6	174.2	129.5	0	0	111.2	Y1042 C1056 R1057	E1016-Y1042 WeakPolarHBondContact O-CE1 3.15Å; E1016-C1056 CarbonylContact O-C 3.58Å; E1016-C1056 WeakPolarHBondContact O-CA 3.34Å; E1016-R1057 HydrophobicContact CB-CB 4.25Å; E1016-R1057 PolarHBondContact O-N 3.05Å; E1016-R1057 WeakPolarHBondContact OE2-CD 3.21Å; E1016-R1057 IonicContact OE2-CZ 2.7Å; E1016-R1057 IonicContact OE2-NE 3.15Å; E1016-R1057 IonicContact OE2-NH1 2.7Å; E1016-R1057 PolarHBondContact OE2-NH1 2.84Å
1017	P	85.3	Confident	70.9	Confident	21 Å²	21	84 Å²	84	14%	0.136	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-77	137.7	169.9	29.4	-31.5	0	0	0	111.6	C1011 I1019 P1026 C1055	C1011-P1017 VanDerWaalsContact SG-CA 3.51Å; P1017-I1019 HydrophobicContact CB-CD1 4.44Å; P1017-I1019 HydrophobicContact CG-CD1 4.06Å; P1017-I1019 PolarHBondContact O-N 3.05Å; P1017-P1026 HydrophobicContact CB-CB 3.93Å; P1017-P1026 HydrophobicContact CB-CG 4.31Å; P1017-P1026 HydrophobicContact CG-CG 4.41Å; P1017-C1055 CarbonylContact C-O 3.58Å; P1017-C1055 WeakPolarHBondContact CA-O 3.43Å
1018	A	83.9	Confident	72.5	Confident	5 Å²	5	84.3 Å²	84.3	4%	0.041	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-65.1	119.3	165.7	0	0	0	0	0	108.7	R1027 P1039 Y1042 C1055	A1018-R1027 HydrophobicContact CB-CB 4.42Å; A1018-R1027 WeakPolarHBondContact O-CB 3.43Å; A1018-R1027 PolarHBondContact O-N 2.82Å; A1018-P1039 HydrophobicContact CB-CG 4.07Å; A1018-Y1042 HydrophobicContact CB-CD1 3.59Å; A1018-Y1042 HydrophobicContact CB-CD2 4.19Å; A1018-Y1042 HydrophobicContact CB-CE1 3.71Å; A1018-Y1042 HydrophobicContact CB-CE2 4.29Å; A1018-Y1042 HydrophobicContact CB-CG 3.86Å; A1018-Y1042 VanDerWaalsContact N-CE1 3.27Å; A1018-C1055 HydrophobicContact CB-CB 3.85Å; A1018-C1055 PolarHBondContact N-O 3Å
1019	I	79.8	Confident	73.7	Confident	83 Å²	83	73.9 Å²	73.9	43%	0.426	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-85.9	138.8	177.7	-55.9	-55.6	0	0	0	109.8	P1017 P1026	P1017-I1019 HydrophobicContact CB-CD1 4.44Å; P1017-I1019 HydrophobicContact CG-CD1 4.06Å; P1017-I1019 PolarHBondContact O-N 3.05Å; I1019-P1026 HydrophobicContact CD1-CG 4.16Å
1020	D	65.5	Low	73.7	Confident	31 Å²	31	70.1 Å²	70.1	17%	0.166	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-76.7	130.1	173.4	-171	-93.5	0	0	0	111.6	M1022 T1023 R1024 Q1025 R1027	D1020-M1022 VanDerWaalsContact C-N 3.3Å; D1020-M1022 PolarHBondContact O-N 3.48Å; D1020-M1022 PolarHBondContact OD1-N 3.23Å; D1020-T1023 PolarHBondContact OD1-N 3.05Å; D1020-R1024 WeakPolarHBondContact O-CA 3.47Å; D1020-R1024 PolarHBondContact O-N 2.99Å; D1020-Q1025 PolarHBondContact N-O 3.48Å; D1020-R1027 HydrophobicContact CB-CG 3.79Å; D1020-R1027 IonicContact OD2-CZ 2.69Å; D1020-R1027 IonicContact OD2-NE 3.81Å; D1020-R1027 PolarHBondContact OD2-NE 3.49Å; D1020-R1027 IonicContact OD2-NH2 2.64Å; D1020-R1027 PolarHBondContact OD2-NH2 2.84Å
1021	P	63.2	Low	72.7	Confident	109 Å²	109	74.4 Å²	74.4	71%	0.708	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.9	-178	-25.7	35.4	0	0	0	115.2
1022	M	49.1	Very low	71	Confident	177 Å²	177	78.5 Å²	78.5	87%	0.872	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-39.6	-175.1	-61.4	-165.6	79.6	0	0	112.4	D1020	D1020-M1022 VanDerWaalsContact C-N 3.3Å; D1020-M1022 PolarHBondContact O-N 3.48Å; D1020-M1022 PolarHBondContact OD1-N 3.23Å
1023	T	67.7	Low	69.3	Low	84 Å²	84	79.3 Å²	79.3	52%	0.515	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-15.6	-177.3	70.1	0	0	0	0	114.2	D1020 Q1025	D1020-T1023 PolarHBondContact OD1-N 3.05Å; T1023-Q1025 PolarHBondContact O-N 3.46Å; T1023-Q1025 PolarHBondContact OG1-N 2.81Å
1024	R	71.6	Confident	67.9	Low	208 Å²	208	79.4 Å²	79.4	79%	0.785	42%	0.424	S	S	*	.			trans	55.5	21	-167.8	-60	-171.3	177.6	-165.5	0.9	114.5	D1020	D1020-R1024 WeakPolarHBondContact O-CA 3.47Å; D1020-R1024 PolarHBondContact O-N 2.99Å
1025	Q	69.3	Low	67	Low	123 Å²	123	80.4 Å²	80.4	58%	0.575	44%	0.435	S	S	*	.	S	Bend	trans	-102.7	156	176.4	-61.8	-174.8	11.3	0	0	111.7	D1020 T1023 R1027	D1020-Q1025 PolarHBondContact N-O 3.48Å; T1023-Q1025 PolarHBondContact O-N 3.46Å; T1023-Q1025 PolarHBondContact OG1-N 2.81Å; Q1025-R1027 PolarHBondContact O-N 3.14Å
1026	P	77.5	Confident	66.3	Low	15 Å²	15	82.4 Å²	82.4	10%	0.097	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-54	127.3	170.5	-29.5	38.8	0	0	0	112.6	V1010 P1017 I1019 I1028 Y1054	V1010-P1026 HydrophobicContact CB-CB 4.45Å; V1010-P1026 HydrophobicContact CB-CG 4.33Å; V1010-P1026 HydrophobicContact CG1-CB 3.89Å; V1010-P1026 HydrophobicContact CG1-CG 4.26Å; V1010-P1026 HydrophobicContact CG2-CG 4.1Å; P1017-P1026 HydrophobicContact CB-CB 3.93Å; P1017-P1026 HydrophobicContact CB-CG 4.31Å; P1017-P1026 HydrophobicContact CG-CG 4.41Å; I1019-P1026 HydrophobicContact CD1-CG 4.16Å; P1026-I1028 PolarHBondContact O-N 2.7Å; P1026-I1028 VanDerWaalsContact O-N 3.14Å; P1026-Y1054 HydrophobicContact CB-CD1 3.99Å; P1026-Y1054 HydrophobicContact CB-CE1 4.26Å
1027	R	81.2	Confident	66	Low	94 Å²	94	88.3 Å²	88.3	36%	0.355	46%	0.461	S	S	.	.			trans	-66	112.4	178.2	-81.5	-169.6	160.2	-167.7	-3.7	110.9	A1018 D1020 Q1025 Y1054 C1055	A1018-R1027 HydrophobicContact CB-CB 4.42Å; A1018-R1027 WeakPolarHBondContact O-CB 3.43Å; A1018-R1027 PolarHBondContact O-N 2.82Å; D1020-R1027 HydrophobicContact CB-CG 3.79Å; D1020-R1027 IonicContact OD2-CZ 2.69Å; D1020-R1027 IonicContact OD2-NE 3.81Å; D1020-R1027 PolarHBondContact OD2-NE 3.49Å; D1020-R1027 IonicContact OD2-NH2 2.64Å; D1020-R1027 PolarHBondContact OD2-NH2 2.84Å; Q1025-R1027 PolarHBondContact O-N 3.14Å; R1027-Y1054 WeakPolarHBondContact O-CA 3.44Å; R1027-C1055 HydrophobicContact CB-CB 4.31Å; R1027-C1055 PolarHBondContact O-N 2.81Å
1028	I	80.8	Confident	65.8	Low	74 Å²	74	88.3 Å²	88.3	38%	0.379	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-65.3	139	164.3	-68.4	169.5	0	0	0	108.9	P1026 P1030 F1036 Q1052 Y1053 Y1054	P1026-I1028 PolarHBondContact O-N 2.7Å; P1026-I1028 VanDerWaalsContact O-N 3.14Å; I1028-P1030 WeakPolarHBondContact O-CD 3.35Å; I1028-F1036 WeakPolarHBondContact O-CZ 3.03Å; I1028-Q1052 VanDerWaalsContact CG2-OE1 3.28Å; I1028-Y1053 CarbonylContact C-O 3.45Å; I1028-Y1053 WeakPolarHBondContact CA-O 3.3Å; I1028-Y1054 HydrophobicContact CD1-CE1 4.32Å; I1028-Y1054 HydrophobicContact CG1-CD1 3.91Å; I1028-Y1054 HydrophobicContact CG1-CE1 3.47Å; I1028-Y1054 VanDerWaalsContact CG1-CE1 3.47Å
1029	C	77.4	Confident	65.6	Low	1 Å²	1	89.8 Å²	89.8	1%	0.007	47%	0.47	C	S	.	.			trans	-114.1	89.8	173.2	53.1	0	0	0	0	110.3	L1031 F1036 C1044 Y1053 Y1054	C1029-L1031 PolarHBondContact O-N 2.77Å; C1029-F1036 HydrophobicContact CB-CD1 4.05Å; C1029-F1036 HydrophobicContact CB-CE1 3.34Å; C1029-F1036 HydrophobicContact CB-CZ 3.94Å; C1029-C1044 HydrophobicContact CB-CB 3.81Å; C1029-C1044 WeakPolarHBondContact CB-SG 3.05Å; C1029-C1044 PolarHBondContact O-SG 2.8Å; C1029-C1044 VanDerWaalsContact O-SG 3.33Å; C1029-C1044 WeakPolarHBondContact SG-CA 3Å; C1029-C1044 WeakPolarHBondContact SG-CB 3.36Å; C1029-C1044 CovalentContact SG-SG 2.04Å; C1029-C1044 PolarHBondContact SG-SG 3.41Å; C1029-Y1053 PolarHBondContact N-O 2.87Å; C1029-Y1053 VanDerWaalsContact O-CB 3.25Å; C1029-Y1053 WeakPolarHBondContact O-CB 3.12Å; C1029-Y1054 PolarHBondContact SG-N 2.91Å; C1029-Y1054 VanDerWaalsContact SG-N 3.41Å; C1029-Y1054 PolarHBondContact SG-O 3.18Å
1030	P	62.9	Low	65.4	Low	51 Å²	51	92 Å²	92	33%	0.331	49%	0.491	S	S	.	.			trans	-70.9	106	-175.6	29	-34	0	0	0	110.6	I1028 N1032 V1033 F1036	I1028-P1030 WeakPolarHBondContact O-CD 3.35Å; P1030-N1032 PolarHBondContact O-N 2.91Å; P1030-V1033 HydrophobicContact CB-CG2 3.95Å; P1030-V1033 HydrophobicContact CG-CB 4.14Å; P1030-V1033 HydrophobicContact CG-CG2 3.58Å; P1030-V1033 PolarHBondContact O-N 2.04Å; P1030-F1036 HydrophobicContact CG-CD2 4.36Å
1031	L	54.4	Low	66.1	Low	104 Å²	104	93.1 Å²	93.1	55%	0.545	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-13.4	-178.8	-70.1	-168.9	0	0	0	115.4	C1029 C1044 Y1053	C1029-L1031 PolarHBondContact O-N 2.77Å; L1031-C1044 HydrophobicContact CD2-CB 4.45Å; L1031-Y1053 HydrophobicContact CD1-CD1 3.94Å; L1031-Y1053 HydrophobicContact CD1-CD2 4.17Å; L1031-Y1053 HydrophobicContact CD1-CE1 3.46Å; L1031-Y1053 VanDerWaalsContact CD1-CE1 3.46Å; L1031-Y1053 HydrophobicContact CD1-CE2 3.72Å; L1031-Y1053 HydrophobicContact CD1-CG 4.27Å; L1031-Y1053 HydrophobicContact CD2-CD1 4.3Å; L1031-Y1053 HydrophobicContact CD2-CE1 4.48Å; L1031-Y1053 HydrophobicContact CG-CD1 3.95Å; L1031-Y1053 HydrophobicContact CG-CD2 4.15Å; L1031-Y1053 HydrophobicContact CG-CE1 4.01Å; L1031-Y1053 HydrophobicContact CG-CE2 4.22Å; L1031-Y1053 HydrophobicContact CG-CG 4.02Å
1032	N	44.8	Very low	67.3	Low	106 Å²	106	91.1 Å²	91.1	57%	0.567	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	14.8	179.3	-68.1	-42.5	0	0	0	113.7	P1030 P1034 K1087	P1030-N1032 PolarHBondContact O-N 2.91Å; N1032-P1034 WeakPolarHBondContact O-CD 3.39Å; N1032-K1087 WeakPolarHBondContact OD1-CE 3.45Å; N1032-K1087 PolarHBondContact OD1-NZ 2.86Å
1033	V	40.7	Very low	68.9	Low	76 Å²	76	89.2 Å²	89.2	46%	0.461	47%	0.471	S	S	.	.	S	Bend	trans	-107.4	105.4	174.1	178.5	0	0	0	0	110.3	P1030 G1035 F1036	P1030-V1033 HydrophobicContact CB-CG2 3.95Å; P1030-V1033 HydrophobicContact CG-CB 4.14Å; P1030-V1033 HydrophobicContact CG-CG2 3.58Å; P1030-V1033 PolarHBondContact O-N 2.04Å; V1033-G1035 PolarHBondContact O-N 3.38Å; V1033-F1036 HydrophobicContact CB-CB 4.04Å; V1033-F1036 HydrophobicContact CG1-CB 4.02Å; V1033-F1036 WeakPolarHBondContact O-CB 3.22Å; V1033-F1036 PolarHBondContact O-N 2.84Å
1034	P	39.9	Very low	69.7	Low	110 Å²	110	87.5 Å²	87.5	71%	0.714	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136.2	172	-24.9	34.9	0	0	0	111.4	N1032 F1036	N1032-P1034 WeakPolarHBondContact O-CD 3.39Å; P1034-F1036 VanDerWaalsContact C-N 3.28Å; P1034-F1036 PolarHBondContact O-N 2.83Å
1035	G	50.8	Low	70.2	Confident	78 Å²	78	78.3 Å²	78.3	80%	0.804	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-13.3	-178.9	0	0	0	0	0	115.6	V1033 R1037	V1033-G1035 PolarHBondContact O-N 3.38Å; G1035-R1037 PolarHBondContact O-N 3.46Å
1036	F	64.8	Low	70.6	Confident	81 Å²	81	77.9 Å²	77.9	36%	0.355	42%	0.422	S	S	.	.			trans	-63.6	124.6	174.4	-173.7	-78.5	0	0	0	110.6	I1028 C1029 P1030 V1033 P1034	I1028-F1036 WeakPolarHBondContact O-CZ 3.03Å; C1029-F1036 HydrophobicContact CB-CD1 4.05Å; C1029-F1036 HydrophobicContact CB-CE1 3.34Å; C1029-F1036 HydrophobicContact CB-CZ 3.94Å; P1030-F1036 HydrophobicContact CG-CD2 4.36Å; V1033-F1036 HydrophobicContact CB-CB 4.04Å; V1033-F1036 HydrophobicContact CG1-CB 4.02Å; V1033-F1036 WeakPolarHBondContact O-CB 3.22Å; V1033-F1036 PolarHBondContact O-N 2.84Å; P1034-F1036 VanDerWaalsContact C-N 3.28Å; P1034-F1036 PolarHBondContact O-N 2.83Å
1037	R	75	Confident	70.6	Confident	224 Å²	224	80.6 Å²	80.6	85%	0.845	43%	0.431	S	S	*	.			trans	-124	143.3	166	-56	-171.1	-163.7	-141.3	5.7	108.8	G1035	G1035-R1037 PolarHBondContact O-N 3.46Å
1038	C	81.5	Confident	69.9	Low	21 Å²	21	79.8 Å²	79.8	14%	0.142	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-63.3	156.8	165.3	-74.5	0	0	0	0	110.6	Y1042 C1055	C1038-Y1042 WeakPolarHBondContact CB-O 3.36Å; C1038-C1055 WeakPolarHBondContact CA-SG 3.37Å; C1038-C1055 HydrophobicContact CB-CB 3.75Å; C1038-C1055 WeakPolarHBondContact CB-SG 3.49Å; C1038-C1055 WeakPolarHBondContact SG-CA 3.33Å; C1038-C1055 WeakPolarHBondContact SG-CB 3.24Å; C1038-C1055 CovalentContact SG-SG 2.04Å; C1038-C1055 PolarHBondContact SG-SG 3.35Å
1039	P	79.3	Confident	69	Low	35 Å²	35	80.4 Å²	80.4	23%	0.227	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-55.2	152.1	174.3	-24.6	35.1	0	0	0	111.8	A1018 G1041 Y1042	A1018-P1039 HydrophobicContact CB-CG 4.07Å; P1039-G1041 PolarHBondContact O-N 3.46Å; P1039-Y1042 HydrophobicContact CB-CD2 4.08Å; P1039-Y1042 WeakPolarHBondContact O-CB 3.02Å; P1039-Y1042 PolarHBondContact O-N 2.79Å
1040	P	75.9	Confident	68.3	Low	131 Å²	131	83.2 Å²	83.2	85%	0.851	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	133.1	177	-28.6	35.9	0	0	0	112.6	Y1042	P1040-Y1042 WeakPolarHBondContact O-CD2 3.38Å
1041	G	80.2	Confident	68.5	Low	53 Å²	53	90.6 Å²	90.6	55%	0.546	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-9.6	-173.9	0	0	0	0	0	115.6	P1039 A1058	P1039-G1041 PolarHBondContact O-N 3.46Å; G1041-A1058 PolarHBondContact O-N 3.16Å
1042	Y	88.1	Confident	69.2	Low	67 Å²	67	89.1 Å²	89.1	26%	0.263	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.4	178.7	-61.8	-101.2	0	0	0	111.8	E1016 A1018 C1038 P1039 P1040 C1056 R1057	E1016-Y1042 WeakPolarHBondContact O-CE1 3.15Å; A1018-Y1042 HydrophobicContact CB-CD1 3.59Å; A1018-Y1042 HydrophobicContact CB-CD2 4.19Å; A1018-Y1042 HydrophobicContact CB-CE1 3.71Å; A1018-Y1042 HydrophobicContact CB-CE2 4.29Å; A1018-Y1042 HydrophobicContact CB-CG 3.86Å; A1018-Y1042 VanDerWaalsContact N-CE1 3.27Å; C1038-Y1042 WeakPolarHBondContact CB-O 3.36Å; P1039-Y1042 HydrophobicContact CB-CD2 4.08Å; P1039-Y1042 WeakPolarHBondContact O-CB 3.02Å; P1039-Y1042 PolarHBondContact O-N 2.79Å; P1040-Y1042 WeakPolarHBondContact O-CD2 3.38Å; Y1042-C1056 CarbonylContact C-O 3.45Å; Y1042-C1056 WeakPolarHBondContact CA-O 3.47Å; Y1042-R1057 HydrophobicContact CD1-CB 3.98Å; Y1042-R1057 VanDerWaalsContact CD1-N 3.31Å; Y1042-R1057 HydrophobicContact CE1-CB 3.82Å; Y1042-R1057 HydrophobicContact CE1-CG 4.38Å
1043	R	82.9	Confident	70.9	Confident	138 Å²	138	87.8 Å²	87.8	52%	0.521	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.6	176.1	52.4	176.3	-97.5	-175.1	-4.7	110.8	T1045 C1056 A1058	R1043-T1045 PolarHBondContact O-N 2.91Å; R1043-T1045 PolarHBondContact O-OG1 2.87Å; R1043-C1056 VanDerWaalsContact CG-O 3.28Å; R1043-C1056 WeakPolarHBondContact CG-O 3.19Å; R1043-C1056 PolarHBondContact N-O 2.03Å; R1043-C1056 PolarHBondContact O-N 2.96Å; R1043-A1058 HydrophobicContact CG-CB 3.97Å
1044	C	84.8	Confident	73.1	Confident	48 Å²	48	85.5 Å²	85.5	32%	0.324	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.8	175.8	-169.5	0	0	0	0	110.4	C1029 L1031	C1029-C1044 HydrophobicContact CB-CB 3.81Å; C1029-C1044 WeakPolarHBondContact CB-SG 3.05Å; C1029-C1044 PolarHBondContact O-SG 2.8Å; C1029-C1044 VanDerWaalsContact O-SG 3.33Å; C1029-C1044 WeakPolarHBondContact SG-CA 3Å; C1029-C1044 WeakPolarHBondContact SG-CB 3.36Å; C1029-C1044 CovalentContact SG-SG 2.04Å; C1029-C1044 PolarHBondContact SG-SG 3.41Å; L1031-C1044 HydrophobicContact CD2-CB 4.45Å
1045	T	81.7	Confident	75.5	Confident	15 Å²	15	80.3 Å²	80.3	9%	0.092	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.1	-169.3	-58.9	0	0	0	0	110.3	P1012 R1043 Y1053 Y1054	P1012-T1045 HydrophobicContact CG-CG2 3.78Å; R1043-T1045 PolarHBondContact O-N 2.91Å; R1043-T1045 PolarHBondContact O-OG1 2.87Å; T1045-Y1053 WeakPolarHBondContact O-CA 3.23Å; T1045-Y1054 PolarHBondContact N-O 3.06Å; T1045-Y1054 PolarHBondContact O-N 2.63Å
1046	Y	78.1	Confident	77.3	Confident	113 Å²	113	76.6 Å²	76.6	44%	0.443	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.3	-177.5	-174.5	-124.9	0	0	0	112.3	A1048 R1051 Q1052 Y1053	Y1046-A1048 HydrophobicContact CE1-CB 4.03Å; Y1046-R1051 HydrophobicContact CE2-CB 4.5Å; Y1046-Q1052 WeakPolarHBondContact CD2-O 3.25Å; Y1046-Y1053 HydrophobicContact CD2-CD1 4.29Å; Y1046-Y1053 AromaticContact CD2-CD2 3.73Å; Y1046-Y1053 HydrophobicContact CD2-CD2 3.73Å; Y1046-Y1053 AromaticContact CD2-CE1 3.96Å; Y1046-Y1053 HydrophobicContact CD2-CE1 3.96Å; Y1046-Y1053 AromaticContact CD2-CE2 3.35Å; Y1046-Y1053 HydrophobicContact CD2-CE2 3.35Å; Y1046-Y1053 HydrophobicContact CD2-CG 4.18Å; Y1046-Y1053 AromaticContact CD2-CZ 3.47Å; Y1046-Y1053 VanDerWaalsContact CD2-CZ 3.47Å; Y1046-Y1053 HydrophobicContact CE2-CD2 4.33Å; Y1046-Y1053 AromaticContact CE2-CE2 3.87Å; Y1046-Y1053 HydrophobicContact CE2-CE2 3.87Å; Y1046-Y1053 HydrophobicContact CG-CE1 4.12Å; Y1046-Y1053 HydrophobicContact CG-CE2 4.23Å; Y1046-Y1053 AromaticContact CG-CZ 3.88Å
1047	R	78.3	Confident	78.3	Confident	72 Å²	72	78.9 Å²	78.9	27%	0.272	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110.8	170.7	-172.3	175.7	-167.3	-97.6	-2.2	109.2	N1009 V1010 A1049 D1050 R1051 Q1052 Y1054	N1009-R1047 VanDerWaalsContact O-CZ 3.25Å; N1009-R1047 PolarHBondContact O-NE 3.04Å; N1009-R1047 PolarHBondContact O-NH2 3.05Å; V1010-R1047 WeakPolarHBondContact O-CD 3.39Å; R1047-A1049 VanDerWaalsContact C-N 3.26Å; R1047-A1049 HydrophobicContact CG-CB 4.46Å; R1047-A1049 PolarHBondContact O-N 2.89Å; R1047-D1050 WeakPolarHBondContact CB-OD1 3.19Å; R1047-D1050 WeakPolarHBondContact CD-OD1 3.46Å; R1047-D1050 WeakPolarHBondContact CD-OD2 3.47Å; R1047-D1050 WeakPolarHBondContact CG-OD1 3.46Å; R1047-D1050 IonicContact CZ-OD2 3.6Å; R1047-D1050 IonicContact NE-OD2 3.13Å; R1047-D1050 IonicContact NH1-OD1 2.69Å; R1047-D1050 IonicContact NH1-OD2 3.19Å; R1047-D1050 PolarHBondContact NH1-OD2 2.85Å; R1047-R1051 WeakPolarHBondContact O-CA 3.39Å; R1047-R1051 PolarHBondContact O-N 2.92Å; R1047-R1051 VanDerWaalsContact O-N 3.07Å; R1047-Q1052 PolarHBondContact N-O 3.33Å; R1047-Q1052 PolarHBondContact O-N 3.41Å; R1047-Y1054 HydrophobicContact CB-CD2 3.93Å; R1047-Y1054 HydrophobicContact CB-CE2 3.99Å
1048	A	64.9	Low	77.8	Confident	77 Å²	77	70.2 Å²	70.2	64%	0.636	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.4	-175.1	0	0	0	0	0	114	Y1046	Y1046-A1048 HydrophobicContact CE1-CB 4.03Å
1049	A	62.9	Low	76.6	Confident	87 Å²	87	77.8 Å²	77.8	72%	0.719	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-31	-173.7	0	0	0	0	0	114.4	R1047	R1047-A1049 VanDerWaalsContact C-N 3.26Å; R1047-A1049 HydrophobicContact CG-CB 4.46Å; R1047-A1049 PolarHBondContact O-N 2.89Å
1050	D	62.5	Low	75	Confident	60 Å²	60	83.6 Å²	83.6	32%	0.321	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	3.5	178.8	46.4	20.1	0	0	0	112.6	R1047 Q1052 Y1054	R1047-D1050 WeakPolarHBondContact CB-OD1 3.19Å; R1047-D1050 WeakPolarHBondContact CD-OD1 3.46Å; R1047-D1050 WeakPolarHBondContact CD-OD2 3.47Å; R1047-D1050 WeakPolarHBondContact CG-OD1 3.46Å; R1047-D1050 IonicContact CZ-OD2 3.6Å; R1047-D1050 IonicContact NE-OD2 3.13Å; R1047-D1050 IonicContact NH1-OD1 2.69Å; R1047-D1050 IonicContact NH1-OD2 3.19Å; R1047-D1050 PolarHBondContact NH1-OD2 2.85Å; D1050-Q1052 PolarHBondContact O-N 3.01Å; D1050-Q1052 PolarHBondContact OD1-N 3.46Å; D1050-Y1054 PolarHBondContact OD2-OH 2.87Å
1051	R	66.7	Low	73.2	Confident	207 Å²	207	80.5 Å²	80.5	78%	0.781	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	25.1	-177.9	-53	-179.6	178.8	177.6	0.2	113.2	Y1046 R1047	Y1046-R1051 HydrophobicContact CE2-CB 4.5Å; R1047-R1051 WeakPolarHBondContact O-CA 3.39Å; R1047-R1051 PolarHBondContact O-N 2.92Å; R1047-R1051 VanDerWaalsContact O-N 3.07Å
1052	Q	68.9	Low	71	Confident	72 Å²	72	90.2 Å²	90.2	34%	0.336	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	164.9	180	-89.6	-67.6	-2.1	0	0	112.7	I1028 Y1046 R1047 D1050 Y1054	I1028-Q1052 VanDerWaalsContact CG2-OE1 3.28Å; Y1046-Q1052 WeakPolarHBondContact CD2-O 3.25Å; R1047-Q1052 PolarHBondContact N-O 3.33Å; R1047-Q1052 PolarHBondContact O-N 3.41Å; D1050-Q1052 PolarHBondContact O-N 3.01Å; D1050-Q1052 PolarHBondContact OD1-N 3.46Å; Q1052-Y1054 HydrophobicContact CB-CD2 4.24Å; Q1052-Y1054 HydrophobicContact CB-CE2 3.4Å
1053	Y	81.9	Confident	68.2	Low	78 Å²	78	90.5 Å²	90.5	31%	0.306	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.5	176.8	-84	-90	0	0	0	109.2	I1028 C1029 L1031 T1045 Y1046	I1028-Y1053 CarbonylContact C-O 3.45Å; I1028-Y1053 WeakPolarHBondContact CA-O 3.3Å; C1029-Y1053 PolarHBondContact N-O 2.87Å; C1029-Y1053 VanDerWaalsContact O-CB 3.25Å; C1029-Y1053 WeakPolarHBondContact O-CB 3.12Å; L1031-Y1053 HydrophobicContact CD1-CD1 3.94Å; L1031-Y1053 HydrophobicContact CD1-CD2 4.17Å; L1031-Y1053 HydrophobicContact CD1-CE1 3.46Å; L1031-Y1053 VanDerWaalsContact CD1-CE1 3.46Å; L1031-Y1053 HydrophobicContact CD1-CE2 3.72Å; L1031-Y1053 HydrophobicContact CD1-CG 4.27Å; L1031-Y1053 HydrophobicContact CD2-CD1 4.3Å; L1031-Y1053 HydrophobicContact CD2-CE1 4.48Å; L1031-Y1053 HydrophobicContact CG-CD1 3.95Å; L1031-Y1053 HydrophobicContact CG-CD2 4.15Å; L1031-Y1053 HydrophobicContact CG-CE1 4.01Å; L1031-Y1053 HydrophobicContact CG-CE2 4.22Å; L1031-Y1053 HydrophobicContact CG-CG 4.02Å; T1045-Y1053 WeakPolarHBondContact O-CA 3.23Å; Y1046-Y1053 HydrophobicContact CD2-CD1 4.29Å; Y1046-Y1053 AromaticContact CD2-CD2 3.73Å; Y1046-Y1053 HydrophobicContact CD2-CD2 3.73Å; Y1046-Y1053 AromaticContact CD2-CE1 3.96Å; Y1046-Y1053 HydrophobicContact CD2-CE1 3.96Å; Y1046-Y1053 AromaticContact CD2-CE2 3.35Å; Y1046-Y1053 HydrophobicContact CD2-CE2 3.35Å; Y1046-Y1053 HydrophobicContact CD2-CG 4.18Å; Y1046-Y1053 AromaticContact CD2-CZ 3.47Å; Y1046-Y1053 VanDerWaalsContact CD2-CZ 3.47Å; Y1046-Y1053 HydrophobicContact CE2-CD2 4.33Å; Y1046-Y1053 AromaticContact CE2-CE2 3.87Å; Y1046-Y1053 HydrophobicContact CE2-CE2 3.87Å; Y1046-Y1053 HydrophobicContact CG-CE1 4.12Å; Y1046-Y1053 HydrophobicContact CG-CE2 4.23Å; Y1046-Y1053 AromaticContact CG-CZ 3.88Å
1054	Y	86.5	Confident	65.7	Low	29 Å²	29	90.9 Å²	90.9	11%	0.114	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.7	-175.9	-64.1	-82.4	0	0	0	112.4	V1010 P1026 R1027 I1028 C1029 T1045 R1047 D1050 Q1052 C1056	V1010-Y1054 HydrophobicContact CG1-CD1 3.43Å; V1010-Y1054 VanDerWaalsContact CG1-CD1 3.43Å; V1010-Y1054 HydrophobicContact CG1-CD2 3.46Å; V1010-Y1054 VanDerWaalsContact CG1-CD2 3.46Å; V1010-Y1054 HydrophobicContact CG1-CE1 3.69Å; V1010-Y1054 HydrophobicContact CG1-CE2 3.72Å; V1010-Y1054 HydrophobicContact CG1-CG 3.3Å; P1026-Y1054 HydrophobicContact CB-CD1 3.99Å; P1026-Y1054 HydrophobicContact CB-CE1 4.26Å; R1027-Y1054 WeakPolarHBondContact O-CA 3.44Å; I1028-Y1054 HydrophobicContact CD1-CE1 4.32Å; I1028-Y1054 HydrophobicContact CG1-CD1 3.91Å; I1028-Y1054 HydrophobicContact CG1-CE1 3.47Å; I1028-Y1054 VanDerWaalsContact CG1-CE1 3.47Å; C1029-Y1054 PolarHBondContact SG-N 2.91Å; C1029-Y1054 VanDerWaalsContact SG-N 3.41Å; C1029-Y1054 PolarHBondContact SG-O 3.18Å; T1045-Y1054 PolarHBondContact N-O 3.06Å; T1045-Y1054 PolarHBondContact O-N 2.63Å; R1047-Y1054 HydrophobicContact CB-CD2 3.93Å; R1047-Y1054 HydrophobicContact CB-CE2 3.99Å; D1050-Y1054 PolarHBondContact OD2-OH 2.87Å; Q1052-Y1054 HydrophobicContact CB-CD2 4.24Å; Q1052-Y1054 HydrophobicContact CB-CE2 3.4Å; Y1054-C1056 PolarHBondContact O-N 2.98Å
1055	C	89.7	Confident	63.1	Low	0 Å²	0	95 Å²	95	0%	0	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	105.2	172.3	-70.9	0	0	0	0	110.2	P1017 A1018 R1027 C1038	P1017-C1055 CarbonylContact C-O 3.58Å; P1017-C1055 WeakPolarHBondContact CA-O 3.43Å; A1018-C1055 HydrophobicContact CB-CB 3.85Å; A1018-C1055 PolarHBondContact N-O 3Å; R1027-C1055 HydrophobicContact CB-CB 4.31Å; R1027-C1055 PolarHBondContact O-N 2.81Å; C1038-C1055 WeakPolarHBondContact CA-SG 3.37Å; C1038-C1055 HydrophobicContact CB-CB 3.75Å; C1038-C1055 WeakPolarHBondContact CB-SG 3.49Å; C1038-C1055 WeakPolarHBondContact SG-CA 3.33Å; C1038-C1055 WeakPolarHBondContact SG-CB 3.24Å; C1038-C1055 CovalentContact SG-SG 2.04Å; C1038-C1055 PolarHBondContact SG-SG 3.35Å
1056	C	89.6	Confident	60.8	Low	1 Å²	1	100.1 Å²	100.1	1%	0.007	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.4	-176.7	-62.4	0	0	0	0	111.3	C1011 Q1015 E1016 Y1042 R1043 Y1054 A1058	C1011-C1056 WeakPolarHBondContact CA-SG 3.02Å; C1011-C1056 HydrophobicContact CB-CB 3.69Å; C1011-C1056 WeakPolarHBondContact CB-SG 3.38Å; C1011-C1056 WeakPolarHBondContact SG-CA 3.05Å; C1011-C1056 WeakPolarHBondContact SG-CB 3.24Å; C1011-C1056 CovalentContact SG-SG 2.03Å; C1011-C1056 PolarHBondContact SG-SG 3.38Å; Q1015-C1056 HydrophobicContact CB-CB 4.29Å; E1016-C1056 CarbonylContact O-C 3.58Å; E1016-C1056 WeakPolarHBondContact O-CA 3.34Å; Y1042-C1056 CarbonylContact C-O 3.45Å; Y1042-C1056 WeakPolarHBondContact CA-O 3.47Å; R1043-C1056 VanDerWaalsContact CG-O 3.28Å; R1043-C1056 WeakPolarHBondContact CG-O 3.19Å; R1043-C1056 PolarHBondContact N-O 2.03Å; R1043-C1056 PolarHBondContact O-N 2.96Å; Y1054-C1056 PolarHBondContact O-N 2.98Å; C1056-A1058 PolarHBondContact O-N 3.23Å
1057	R	85.1	Confident	58.4	Low	128 Å²	128	97.7 Å²	97.7	48%	0.483	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	127.9	-176	-164	171.8	-179	168.4	0.2	110.5	Q1015 E1016 Y1042	Q1015-R1057 VanDerWaalsContact CG-O 3.27Å; Q1015-R1057 WeakPolarHBondContact CG-O 3.03Å; E1016-R1057 HydrophobicContact CB-CB 4.25Å; E1016-R1057 PolarHBondContact O-N 3.05Å; E1016-R1057 WeakPolarHBondContact OE2-CD 3.21Å; E1016-R1057 IonicContact OE2-CZ 2.7Å; E1016-R1057 IonicContact OE2-NE 3.15Å; E1016-R1057 IonicContact OE2-NH1 2.7Å; E1016-R1057 PolarHBondContact OE2-NH1 2.84Å; Y1042-R1057 HydrophobicContact CD1-CB 3.98Å; Y1042-R1057 VanDerWaalsContact CD1-N 3.31Å; Y1042-R1057 HydrophobicContact CE1-CB 3.82Å; Y1042-R1057 HydrophobicContact CE1-CG 4.38Å
1058	A	64.9	Low	56	Low	43 Å²	43	100.8 Å²	100.8	36%	0.355	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-80.6	132.7	178.3	0	0	0	0	0	110.4	G1041 R1043 C1056	G1041-A1058 PolarHBondContact O-N 3.16Å; R1043-A1058 HydrophobicContact CG-CB 3.97Å; C1056-A1058 PolarHBondContact O-N 3.23Å
1059	Y	56	Low	54.5	Low	179 Å²	179	101.8 Å²	101.8	70%	0.702	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-79	132.4	167.1	-96.6	-73.8	0	0	0	110.9	G1014 Q1015	G1014-Y1059 WeakPolarHBondContact O-CE2 3.36Å; Q1015-Y1059 HydrophobicContact CG-CD2 4.43Å
1060	D	44.8	Very low	53	Low	158 Å²	158	106.6 Å²	106.6	85%	0.845	58%	0.58	S	S	*	*			trans	-104	75.3	-178.7	52.1	-35.6	0	0	0	111.2
1061	G	37.9	Very low	51.8	Low	65 Å²	65	111.9 Å²	111.9	67%	0.67	60%	0.601	S	S	*	*			trans	-162	88.3	-173.6	0	0	0	0	0	117.1
1062	R	34.1	Very low	50.4	Low	257 Å²	257	106 Å²	106	97%	0.97	59%	0.585	S	S	*	*			trans	34.1	108.5	143.4	-55.7	173.9	-176.9	176.6	0.2	118.6
1063	G	29.7	Very low	49.6	Very low	73 Å²	73	111.1 Å²	111.1	75%	0.753	61%	0.609	S	S	*	*			trans	170.5	119.4	158.5	0	0	0	0	0	118
1064	V	31.6	Very low	48.8	Very low	147 Å²	147	107.6 Å²	107.6	89%	0.891	60%	0.596	S	S	*	*			trans	57	103.3	151.4	-166.7	0	0	0	0	119.7
1065	V	29.5	Very low	48.2	Very low	135 Å²	135	106.3 Å²	106.3	82%	0.818	59%	0.591	S	S	*	*			trans	-97.5	154.9	149.6	172.8	0	0	0	0	105.9
1066	P	32.9	Very low	47.5	Very low	122 Å²	122	108.9 Å²	108.9	79%	0.792	61%	0.608	S	S	*	*			cis	-132.7	-177.2	21.7	25.3	-0.1	0	0	0	116.5
1067	G	27.6	Very low	46.8	Very low	62 Å²	62	118.8 Å²	118.8	64%	0.639	65%	0.645	S	S	*	*			trans	147.3	110.7	144.2	0	0	0	0	0	119.6
1068	T	28.5	Very low	46.2	Very low	137 Å²	137	113.4 Å²	113.4	84%	0.84	63%	0.63	S	S	*	*			trans	60.7	141.6	144.5	56	0	0	0	0	122.9
1069	S	33.2	Very low	46.8	Very low	98 Å²	98	120.9 Å²	120.9	69%	0.685	65%	0.649	S	S	*	*			trans	62.6	129.4	177.3	72.8	0	0	0	0	115.3
1070	Q	31.4	Very low	47.8	Very low	188 Å²	188	114.1 Å²	114.1	88%	0.879	63%	0.627	S	S	*	*			cis	62.1	81.2	6.8	-72	-166.6	0.6	0	0	117.2
1071	F	36.6	Very low	49.3	Very low	170 Å²	170	109.7 Å²	109.7	75%	0.746	60%	0.599	S	S	*	*			trans	-130.9	141.5	136.6	-75.2	-84.2	0	0	0	107.3	E1073	F1071-E1073 HydrophobicContact CB-CG 4.46Å
1072	N	37.5	Very low	50.8	Low	83 Å²	83	110.1 Å²	110.1	44%	0.444	59%	0.585	S	S	.	*			cis	66.3	26.2	35.1	-73.1	17.5	0	0	0	115.2	G1074 I1109	N1072-G1074 PolarHBondContact O-N 3.26Å; N1072-I1109 HydrophobicContact CB-CD1 4.14Å
1073	E	53.1	Low	51.8	Low	181 Å²	181	103.2 Å²	103.2	85%	0.846	56%	0.56	S	S	*	*	S	Bend	trans	-73.8	70.3	166.8	-64.4	-168.6	179.4	0	0	111.8	F1071	F1071-E1073 HydrophobicContact CB-CG 4.46Å
1074	G	64.2	Low	52.6	Low	4 Å²	4	103.9 Å²	103.9	4%	0.041	55%	0.551	C	S	.	*	S	Bend	trans	137	-61	171.1	0	0	0	0	0	113.6	N1072 A1108 I1109	N1072-G1074 PolarHBondContact O-N 3.26Å; G1074-A1108 CarbonylContact O-C 3.54Å; G1074-A1108 WeakPolarHBondContact O-CA 3.22Å; G1074-I1109 PolarHBondContact O-N 3.49Å
1075	C	74.4	Confident	53.1	Low	2 Å²	2	100.2 Å²	100.2	1%	0.014	54%	0.542	C	S	.	.			trans	-82.2	132.8	-173	-75.7	0	0	0	0	113.5	P1080 C1117	C1075-P1080 WeakPolarHBondContact SG-CA 3.39Å; C1075-P1080 VanDerWaalsContact SG-CB 3.58Å; C1075-C1117 VanDerWaalsContact CA-SG 3.53Å; C1075-C1117 HydrophobicContact CB-CB 3.75Å; C1075-C1117 WeakPolarHBondContact CB-SG 3.46Å; C1075-C1117 VanDerWaalsContact SG-CA 3.51Å; C1075-C1117 WeakPolarHBondContact SG-CB 3.49Å; C1075-C1117 CovalentContact SG-SG 2.03Å; C1075-C1117 PolarHBondContact SG-SG 2.78Å
1076	P	74.7	Confident	54.6	Low	54 Å²	54	97.9 Å²	97.9	35%	0.351	53%	0.529	S	S	.	.	S	Bend	trans	-74.2	-28.5	177.6	29.6	-33.4	0	0	0	112.7	L1106 Q1107 I1109	P1076-L1106 HydrophobicContact CG-CB 3.68Å; P1076-L1106 HydrophobicContact CG-CD1 3.94Å; P1076-L1106 HydrophobicContact CG-CG 4.41Å; P1076-Q1107 VanDerWaalsContact CD-O 3.28Å; P1076-Q1107 WeakPolarHBondContact CD-O 3.41Å; P1076-Q1107 WeakPolarHBondContact CG-O 3.49Å; P1076-I1109 HydrophobicContact CB-CD1 4.48Å; P1076-I1109 HydrophobicContact CB-CG1 4.23Å
1077	R	75.5	Confident	55.3	Low	208 Å²	208	97.4 Å²	97.4	79%	0.785	51%	0.514	S	S	*	.	S	Bend	trans	-142.6	152.4	164.5	-70.6	-170.6	169.7	110	-0.4	109	C1117	R1077-C1117 WeakPolarHBondContact O-CB 3.01Å
1078	G	71.9	Confident	56.7	Low	16 Å²	16	97.9 Å²	97.9	17%	0.165	51%	0.505	C	S	.	.	S	Bend	trans	77.7	-171.1	-177.1	0	0	0	0	0	113.9	S1118	G1078-S1118 WeakPolarHBondContact CA-O 3.32Å
1079	R	77	Confident	58.6	Low	200 Å²	200	93.4 Å²	93.4	76%	0.755	48%	0.478	S	S	*	.			trans	-106.9	143	172.7	-63.8	-177.1	179	-169.7	-0.6	109.8	C1117 S1118	R1079-C1117 CarbonylContact O-C 3.49Å; R1079-C1117 WeakPolarHBondContact O-CA 3.01Å; R1079-S1118 WeakPolarHBondContact O-CB 3.27Å; R1079-S1118 PolarHBondContact O-N 3.06Å
1080	P	76.7	Confident	60.7	Low	36 Å²	36	90 Å²	90	23%	0.234	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-63	138.8	173.8	24.2	-31.7	0	0	0	111	C1075 I1082 P1089 C1116	C1075-P1080 WeakPolarHBondContact SG-CA 3.39Å; C1075-P1080 VanDerWaalsContact SG-CB 3.58Å; P1080-I1082 HydrophobicContact CB-CD1 4.16Å; P1080-I1082 HydrophobicContact CG-CD1 3.96Å; P1080-I1082 PolarHBondContact O-N 2.9Å; P1080-P1089 HydrophobicContact CB-CB 3.86Å; P1080-C1116 CarbonylContact C-O 3.52Å; P1080-C1116 WeakPolarHBondContact CA-O 3.39Å
1081	Y	77.6	Confident	63	Low	65 Å²	65	85.2 Å²	85.2	26%	0.255	44%	0.439	S	S	.	.			trans	-64.3	114.5	165.9	-177.6	-87.5	0	0	0	107.8	P1089 L1090 P1100 H1103 C1116	Y1081-P1089 CarbonylContact O-C 3.6Å; Y1081-P1089 WeakPolarHBondContact O-CA 3.47Å; Y1081-L1090 HydrophobicContact CD1-CB 3.73Å; Y1081-L1090 HydrophobicContact CD1-CD2 3.76Å; Y1081-L1090 HydrophobicContact CD1-CG 4.41Å; Y1081-L1090 HydrophobicContact CE1-CD2 4.26Å; Y1081-L1090 HydrophobicContact CG-CD2 4.38Å; Y1081-L1090 PolarHBondContact O-N 3.08Å; Y1081-P1100 HydrophobicContact CD1-CG 4.09Å; Y1081-P1100 HydrophobicContact CD2-CB 3.87Å; Y1081-P1100 HydrophobicContact CD2-CG 3.73Å; Y1081-P1100 HydrophobicContact CE1-CG 3.99Å; Y1081-P1100 HydrophobicContact CE2-CB 3.69Å; Y1081-P1100 HydrophobicContact CE2-CG 3.63Å; Y1081-P1100 HydrophobicContact CG-CG 3.96Å; Y1081-H1103 AromaticContact CD2-CE1 3.81Å; Y1081-H1103 AromaticContact CD2-NE2 3.92Å; Y1081-C1116 PolarHBondContact N-O 3.28Å
1082	I	68.9	Low	65.1	Low	75 Å²	75	77.6 Å²	77.6	39%	0.385	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-93.6	124.1	177.8	-57.7	-52.8	0	0	0	108.5	P1080 P1084 K1087 P1089	P1080-I1082 HydrophobicContact CB-CD1 4.16Å; P1080-I1082 HydrophobicContact CG-CD1 3.96Å; P1080-I1082 PolarHBondContact O-N 2.9Å; I1082-P1084 WeakPolarHBondContact O-CD 3.04Å; I1082-K1087 HydrophobicContact CG2-CB 4.4Å; I1082-K1087 WeakPolarHBondContact CG2-O 3.24Å; I1082-P1089 HydrophobicContact CD1-CB 4Å
1083	Y	55.1	Low	66.9	Low	112 Å²	112	77.1 Å²	77.1	44%	0.439	41%	0.41	S	S	.	.			trans	-55.4	123.9	174.3	-109.5	-71.1	0	0	0	110.1	G1085 T1086 K1087 T1088 L1090	Y1083-G1085 PolarHBondContact O-N 2.89Å; Y1083-G1085 VanDerWaalsContact O-N 3.17Å; Y1083-T1086 WeakPolarHBondContact CB-OG1 3.01Å; Y1083-K1087 WeakPolarHBondContact O-CA 3.37Å; Y1083-K1087 PolarHBondContact O-N 3.47Å; Y1083-T1088 PolarHBondContact N-O 2.73Å; Y1083-L1090 HydrophobicContact CD2-CB 4.31Å; Y1083-L1090 HydrophobicContact CD2-CD1 4.27Å; Y1083-L1090 HydrophobicContact CE2-CB 4.45Å; Y1083-L1090 HydrophobicContact CE2-CD1 3.57Å
1084	P	47.5	Very low	67.7	Low	87 Å²	87	71 Å²	71	57%	0.565	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.4	-176.4	-29.8	36.4	0	0	0	114	I1082 K1087	I1082-P1084 WeakPolarHBondContact O-CD 3.04Å; P1084-K1087 PolarHBondContact O-NZ 3.31Å
1085	G	41.5	Very low	67.4	Low	69 Å²	69	81.8 Å²	81.8	71%	0.711	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-53.5	-179	0	0	0	0	0	115	Y1083	Y1083-G1085 PolarHBondContact O-N 2.89Å; Y1083-G1085 VanDerWaalsContact O-N 3.17Å
1086	T	60.7	Low	66.5	Low	87 Å²	87	85.1 Å²	85.1	53%	0.534	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.6	-174.4	61.4	0	0	0	0	114.3	Y1083 T1088	Y1083-T1086 WeakPolarHBondContact CB-OG1 3.01Å; T1086-T1088 PolarHBondContact O-N 2.85Å; T1086-T1088 VanDerWaalsContact O-N 3.16Å; T1086-T1088 PolarHBondContact OG1-N 2.79Å; T1086-T1088 PolarHBondContact OG1-OG1 2.77Å
1087	K	48.6	Very low	65.5	Low	112 Å²	112	84.8 Å²	84.8	49%	0.487	46%	0.459	S	S	.	.			trans	58.6	12.4	-168.6	-49	-57.9	-176.2	-168.4	0	115.1	N1032 I1082 Y1083 P1084	N1032-K1087 WeakPolarHBondContact OD1-CE 3.45Å; N1032-K1087 PolarHBondContact OD1-NZ 2.86Å; I1082-K1087 HydrophobicContact CG2-CB 4.4Å; I1082-K1087 WeakPolarHBondContact CG2-O 3.24Å; Y1083-K1087 WeakPolarHBondContact O-CA 3.37Å; Y1083-K1087 PolarHBondContact O-N 3.47Å; P1084-K1087 PolarHBondContact O-NZ 3.31Å
1088	T	56.8	Low	65.1	Low	71 Å²	71	86.8 Å²	86.8	44%	0.436	47%	0.466	S	S	.	.			trans	-84.2	148.4	172.8	56.9	0	0	0	0	110.7	Y1083 T1086	Y1083-T1088 PolarHBondContact N-O 2.73Å; T1086-T1088 PolarHBondContact O-N 2.85Å; T1086-T1088 VanDerWaalsContact O-N 3.16Å; T1086-T1088 PolarHBondContact OG1-N 2.79Å; T1086-T1088 PolarHBondContact OG1-OG1 2.77Å
1089	P	66.8	Low	65.4	Low	43 Å²	43	87.3 Å²	87.3	28%	0.279	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-64.3	139.8	167.7	30.6	-35.5	0	0	0	109.7	P1080 Y1081 I1082 S1091 L1115	P1080-P1089 HydrophobicContact CB-CB 3.86Å; Y1081-P1089 CarbonylContact O-C 3.6Å; Y1081-P1089 WeakPolarHBondContact O-CA 3.47Å; I1082-P1089 HydrophobicContact CD1-CB 4Å; P1089-S1091 PolarHBondContact O-N 2.85Å; P1089-L1115 HydrophobicContact CB-CD1 4.27Å; P1089-L1115 HydrophobicContact CB-CD2 4Å; P1089-L1115 HydrophobicContact CG-CD2 4.19Å
1090	L	78.1	Confident	65.4	Low	28 Å²	28	79.7 Å²	79.7	15%	0.147	44%	0.444	C	S	.	.			trans	-73.4	108.9	177.5	170	62.6	0	0	0	109.7	Y1081 Y1083 P1100 L1115 C1116	Y1081-L1090 HydrophobicContact CD1-CB 3.73Å; Y1081-L1090 HydrophobicContact CD1-CD2 3.76Å; Y1081-L1090 HydrophobicContact CD1-CG 4.41Å; Y1081-L1090 HydrophobicContact CE1-CD2 4.26Å; Y1081-L1090 HydrophobicContact CG-CD2 4.38Å; Y1081-L1090 PolarHBondContact O-N 3.08Å; Y1083-L1090 HydrophobicContact CD2-CB 4.31Å; Y1083-L1090 HydrophobicContact CD2-CD1 4.27Å; Y1083-L1090 HydrophobicContact CE2-CB 4.45Å; Y1083-L1090 HydrophobicContact CE2-CD1 3.57Å; L1090-P1100 HydrophobicContact CD2-CG 3.92Å; L1090-L1115 WeakPolarHBondContact O-CA 3.33Å; L1090-C1116 HydrophobicContact CB-CB 4.43Å; L1090-C1116 HydrophobicContact CD2-CB 4.06Å; L1090-C1116 HydrophobicContact CG-CB 4.24Å; L1090-C1116 PolarHBondContact O-N 3.29Å
1091	S	79.5	Confident	65.2	Low	86 Å²	86	85 Å²	85	60%	0.601	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	147.4	166.1	-60.7	0	0	0	0	111.2	P1089 Y1114	P1089-S1091 PolarHBondContact O-N 2.85Å; S1091-Y1114 CarbonylContact C-O 3.55Å; S1091-Y1114 VanDerWaalsContact CA-O 3.26Å; S1091-Y1114 WeakPolarHBondContact CA-O 3.48Å
1092	C	80.4	Confident	65.1	Low	11 Å²	11	83.9 Å²	83.9	7%	0.074	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	164.8	176.4	63.3	0	0	0	0	110.6	S1097 C1105 Y1114 L1115	C1092-S1097 VanDerWaalsContact CA-OG 3.26Å; C1092-S1097 WeakPolarHBondContact CA-OG 3.28Å; C1092-S1097 WeakPolarHBondContact CB-OG 3.19Å; C1092-C1105 HydrophobicContact CB-CB 3.87Å; C1092-C1105 WeakPolarHBondContact CB-SG 3.35Å; C1092-C1105 WeakPolarHBondContact SG-CA 3.02Å; C1092-C1105 WeakPolarHBondContact SG-CB 3.33Å; C1092-C1105 CovalentContact SG-SG 2.04Å; C1092-C1105 PolarHBondContact SG-SG 3.37Å; C1092-Y1114 PolarHBondContact N-O 2.03Å; C1092-Y1114 WeakPolarHBondContact O-CB 3.47Å; C1092-Y1114 WeakPolarHBondContact SG-CB 3.44Å; C1092-L1115 PolarHBondContact SG-N 2.85Å; C1092-L1115 VanDerWaalsContact SG-N 3.43Å; C1092-L1115 PolarHBondContact SG-O 3.44Å
1093	S	75.3	Confident	65.9	Low	73 Å²	73	82.6 Å²	82.6	51%	0.51	48%	0.476	S	S	.	.			trans	-114.8	129.5	168.9	-64.7	0	0	0	0	108.1	W1095 G1096 S1097	S1093-W1095 PolarHBondContact O-N 2.03Å; S1093-G1096 PolarHBondContact O-N 3.22Å; S1093-S1097 PolarHBondContact N-OG 2.8Å; S1093-S1097 PolarHBondContact O-N 3.4Å; S1093-S1097 PolarHBondContact O-OG 3.36Å
1094	P	69.5	Low	67.3	Low	51 Å²	51	80 Å²	80	33%	0.331	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.5	-172	26.3	-36.1	0	0	0	114.3	Y1114	P1094-Y1114 HydrophobicContact CB-CD1 4.17Å; P1094-Y1114 HydrophobicContact CB-CE1 3.96Å; P1094-Y1114 HydrophobicContact CG-CD1 4.27Å; P1094-Y1114 HydrophobicContact CG-CD2 4.17Å; P1094-Y1114 HydrophobicContact CG-CE1 3.91Å; P1094-Y1114 HydrophobicContact CG-CE2 3.8Å; P1094-Y1114 HydrophobicContact CG-CG 4.43Å
1095	W	59.4	Low	69.1	Low	232 Å²	232	77.6 Å²	77.6	88%	0.879	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	13	-178.1	-50.2	-64.6	0	0	0	114.2	S1093	S1093-W1095 PolarHBondContact O-N 2.03Å
1096	G	54.1	Low	71.1	Confident	71 Å²	71	77 Å²	77	73%	0.732	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.3	-2.8	-171.1	0	0	0	0	0	119.7	S1093	S1093-G1096 PolarHBondContact O-N 3.22Å
1097	S	55.1	Low	72.2	Confident	48 Å²	48	79 Å²	79	34%	0.336	44%	0.443	S	S	.	.			trans	-127.3	123.7	-179.4	62.1	0	0	0	0	112.7	C1092 S1093 C1099	C1092-S1097 VanDerWaalsContact CA-OG 3.26Å; C1092-S1097 WeakPolarHBondContact CA-OG 3.28Å; C1092-S1097 WeakPolarHBondContact CB-OG 3.19Å; S1093-S1097 PolarHBondContact N-OG 2.8Å; S1093-S1097 PolarHBondContact O-N 3.4Å; S1093-S1097 PolarHBondContact O-OG 3.36Å; S1097-C1099 PolarHBondContact O-N 3Å
1098	R	65.9	Low	73.5	Confident	249 Å²	249	74.3 Å²	74.3	94%	0.94	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-72.5	117.8	172.1	-71.9	-172.1	-104.8	-125.1	1.9	110.2
1099	C	79.5	Confident	74.3	Confident	28 Å²	28	74.9 Å²	74.9	19%	0.189	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-72.1	149.8	168.4	-72.5	0	0	0	0	111.1	S1097 H1103 C1105 C1116	S1097-C1099 PolarHBondContact O-N 3Å; C1099-H1103 HydrophobicContact CB-CB 4.25Å; C1099-H1103 VanDerWaalsContact CB-O 3.3Å; C1099-H1103 WeakPolarHBondContact CB-O 3.3Å; C1099-C1105 PolarHBondContact SG-N 2.78Å; C1099-C1116 WeakPolarHBondContact CA-SG 3.39Å; C1099-C1116 HydrophobicContact CB-CB 3.71Å; C1099-C1116 WeakPolarHBondContact CB-SG 3.3Å; C1099-C1116 WeakPolarHBondContact SG-CA 3.04Å; C1099-C1116 WeakPolarHBondContact SG-CB 3.34Å; C1099-C1116 CovalentContact SG-SG 2.04Å; C1099-C1116 PolarHBondContact SG-SG 3.14Å
1100	P	76.9	Confident	74.2	Confident	39 Å²	39	76.7 Å²	76.7	25%	0.253	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-58.8	151	174.3	-26.5	36.8	0	0	0	112.5	Y1081 L1090 G1102 H1103	Y1081-P1100 HydrophobicContact CD1-CG 4.09Å; Y1081-P1100 HydrophobicContact CD2-CB 3.87Å; Y1081-P1100 HydrophobicContact CD2-CG 3.73Å; Y1081-P1100 HydrophobicContact CE1-CG 3.99Å; Y1081-P1100 HydrophobicContact CE2-CB 3.69Å; Y1081-P1100 HydrophobicContact CE2-CG 3.63Å; Y1081-P1100 HydrophobicContact CG-CG 3.96Å; L1090-P1100 HydrophobicContact CD2-CG 3.92Å; P1100-G1102 PolarHBondContact O-N 3.44Å; P1100-H1103 WeakPolarHBondContact O-CB 3.46Å; P1100-H1103 PolarHBondContact O-N 3.42Å
1101	T	70.8	Confident	73.1	Confident	149 Å²	149	84.7 Å²	84.7	91%	0.914	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	134.8	-179	-47.4	0	0	0	0	112.2	H1103	T1101-H1103 VanDerWaalsContact C-N 3.32Å; T1101-H1103 PolarHBondContact O-ND1 2.03Å
1102	G	77.6	Confident	72.3	Confident	41 Å²	41	87.1 Å²	87.1	42%	0.423	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	14.4	-175	0	0	0	0	0	115.1	P1100 S1118 S1119	P1100-G1102 PolarHBondContact O-N 3.44Å; G1102-S1118 CarbonylContact O-C 3.53Å; G1102-S1118 WeakPolarHBondContact O-CA 3.37Å; G1102-S1118 PolarHBondContact O-OG 2.03Å; G1102-S1119 PolarHBondContact O-N 2.98Å; G1102-S1119 PolarHBondContact O-OG 3.49Å
1103	H	84.8	Confident	72	Confident	47 Å²	47	88 Å²	88	22%	0.218	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.7	172.8	-57.5	70.6	0	0	0	111.5	Y1081 C1099 P1100 T1101 C1116 C1117 S1118	Y1081-H1103 AromaticContact CD2-CE1 3.81Å; Y1081-H1103 AromaticContact CD2-NE2 3.92Å; C1099-H1103 HydrophobicContact CB-CB 4.25Å; C1099-H1103 VanDerWaalsContact CB-O 3.3Å; C1099-H1103 WeakPolarHBondContact CB-O 3.3Å; P1100-H1103 WeakPolarHBondContact O-CB 3.46Å; P1100-H1103 PolarHBondContact O-N 3.42Å; T1101-H1103 VanDerWaalsContact C-N 3.32Å; T1101-H1103 PolarHBondContact O-ND1 2.03Å; H1103-C1116 HydrophobicContact CB-CB 4.26Å; H1103-C1117 CarbonylContact C-O 3.56Å; H1103-C1117 VanDerWaalsContact CA-O 3.27Å; H1103-C1117 WeakPolarHBondContact CA-O 3.35Å; H1103-S1118 PolarHBondContact CD2-N 3.41Å
1104	S	83.5	Confident	72.5	Confident	57 Å²	57	87.9 Å²	87.9	40%	0.399	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.5	179.4	-50	0	0	0	0	110.2	L1106 C1117 S1119	S1104-L1106 PolarHBondContact O-N 2.89Å; S1104-C1117 PolarHBondContact N-O 2.81Å; S1104-C1117 PolarHBondContact O-N 2.68Å; S1104-S1119 PolarHBondContact OG-OG 3.4Å; S1104-S1119 VanDerWaalsContact OG-OG 3.06Å
1105	C	86.8	Confident	73.2	Confident	38 Å²	38	86 Å²	86	26%	0.257	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.6	176.1	-176.2	0	0	0	0	110	C1092 C1099	C1092-C1105 HydrophobicContact CB-CB 3.87Å; C1092-C1105 WeakPolarHBondContact CB-SG 3.35Å; C1092-C1105 WeakPolarHBondContact SG-CA 3.02Å; C1092-C1105 WeakPolarHBondContact SG-CB 3.33Å; C1092-C1105 CovalentContact SG-SG 2.04Å; C1092-C1105 PolarHBondContact SG-SG 3.37Å; C1099-C1105 PolarHBondContact SG-N 2.78Å
1106	L	83.3	Confident	74.6	Confident	56 Å²	56	75 Å²	75	29%	0.293	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.6	-178.3	-56.4	-179.4	0	0	0	110.7	P1076 S1104 Y1114 L1115 C1117	P1076-L1106 HydrophobicContact CG-CB 3.68Å; P1076-L1106 HydrophobicContact CG-CD1 3.94Å; P1076-L1106 HydrophobicContact CG-CG 4.41Å; S1104-L1106 PolarHBondContact O-N 2.89Å; L1106-Y1114 CarbonylContact O-C 3.45Å; L1106-Y1114 VanDerWaalsContact O-CA 3.29Å; L1106-Y1114 WeakPolarHBondContact O-CA 3.45Å; L1106-Y1114 WeakPolarHBondContact O-CB 3.17Å; L1106-L1115 PolarHBondContact N-O 3.43Å; L1106-L1115 PolarHBondContact O-N 3.13Å; L1106-C1117 HydrophobicContact CB-CB 4.24Å; L1106-C1117 HydrophobicContact CD1-CB 3.66Å; L1106-C1117 HydrophobicContact CG-CB 4Å
1107	Q	83.2	Confident	76.1	Confident	129 Å²	129	71.7 Å²	71.7	60%	0.603	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.6	178	-168.7	178.8	7.6	0	0	111.1	P1076 Y1114	P1076-Q1107 VanDerWaalsContact CD-O 3.28Å; P1076-Q1107 WeakPolarHBondContact CD-O 3.41Å; P1076-Q1107 WeakPolarHBondContact CG-O 3.49Å; Q1107-Y1114 VanDerWaalsContact CA-CD1 3.47Å; Q1107-Y1114 HydrophobicContact CB-CD1 3.8Å; Q1107-Y1114 HydrophobicContact CB-CE1 3.74Å; Q1107-Y1114 HydrophobicContact CB-CG 4.49Å; Q1107-Y1114 HydrophobicContact CG-CD1 4.39Å; Q1107-Y1114 HydrophobicContact CG-CE1 4.16Å
1108	A	76	Confident	77.4	Confident	13 Å²	13	71 Å²	71	11%	0.107	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-77.8	133.4	-172.5	0	0	0	0	0	113	G1074 G1110 R1111 G1113 L1115	G1074-A1108 CarbonylContact O-C 3.54Å; G1074-A1108 WeakPolarHBondContact O-CA 3.22Å; A1108-G1110 PolarHBondContact O-N 3.19Å; A1108-R1111 HydrophobicContact CB-CB 4.15Å; A1108-G1113 VanDerWaalsContact CB-O 3.32Å; A1108-G1113 WeakPolarHBondContact CB-O 3.3Å; A1108-G1113 PolarHBondContact N-O 3.11Å; A1108-L1115 HydrophobicContact CB-CD1 4.12Å; A1108-L1115 HydrophobicContact CB-CG 4.1Å
1109	I	73.4	Confident	77.6	Confident	84 Å²	84	61.9 Å²	61.9	43%	0.431	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	124.6	163.6	-55.2	172	0	0	0	108	N1072 G1074 P1076 R1111	N1072-I1109 HydrophobicContact CB-CD1 4.14Å; G1074-I1109 PolarHBondContact O-N 3.49Å; P1076-I1109 HydrophobicContact CB-CD1 4.48Å; P1076-I1109 HydrophobicContact CB-CG1 4.23Å; I1109-R1111 VanDerWaalsContact C-N 3.32Å; I1109-R1111 PolarHBondContact O-N 2.86Å
1110	G	65.4	Low	76.3	Confident	81 Å²	81	66.9 Å²	66.9	84%	0.835	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	9.5	170.5	0	0	0	0	0	116.1	A1108	A1108-G1110 PolarHBondContact O-N 3.19Å
1111	R	55.6	Low	74.7	Confident	195 Å²	195	71.4 Å²	71.4	74%	0.736	43%	0.428	S	S	*	.	S	Bend	trans	-141.4	145.4	173.1	-65.1	-171	-178.2	-166.6	1.4	111.8	A1108 I1109 G1113	A1108-R1111 HydrophobicContact CB-CB 4.15Å; I1109-R1111 VanDerWaalsContact C-N 3.32Å; I1109-R1111 PolarHBondContact O-N 2.86Å; R1111-G1113 PolarHBondContact O-N 2.85Å
1112	S	62.1	Low	72.9	Confident	137 Å²	137	75.1 Å²	75.1	96%	0.958	43%	0.425	S	S	*	.	S	Bend	trans	-77.4	67.2	176.9	57.3	0	0	0	0	112.1
1113	G	73.1	Confident	70.8	Confident	29 Å²	29	80.3 Å²	80.3	30%	0.299	44%	0.444	S	S	.	.	S	Bend	trans	-171	-177.7	178.9	0	0	0	0	0	112.2	A1108 R1111	A1108-G1113 VanDerWaalsContact CB-O 3.32Å; A1108-G1113 WeakPolarHBondContact CB-O 3.3Å; A1108-G1113 PolarHBondContact N-O 3.11Å; R1111-G1113 PolarHBondContact O-N 2.85Å
1114	Y	86.5	Confident	68.3	Low	71 Å²	71	89.9 Å²	89.9	28%	0.278	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.9	175.5	-57.3	-113.8	0	0	0	109.2	S1091 C1092 P1094 L1106 Q1107	S1091-Y1114 CarbonylContact C-O 3.55Å; S1091-Y1114 VanDerWaalsContact CA-O 3.26Å; S1091-Y1114 WeakPolarHBondContact CA-O 3.48Å; C1092-Y1114 PolarHBondContact N-O 2.03Å; C1092-Y1114 WeakPolarHBondContact O-CB 3.47Å; C1092-Y1114 WeakPolarHBondContact SG-CB 3.44Å; P1094-Y1114 HydrophobicContact CB-CD1 4.17Å; P1094-Y1114 HydrophobicContact CB-CE1 3.96Å; P1094-Y1114 HydrophobicContact CG-CD1 4.27Å; P1094-Y1114 HydrophobicContact CG-CD2 4.17Å; P1094-Y1114 HydrophobicContact CG-CE1 3.91Å; P1094-Y1114 HydrophobicContact CG-CE2 3.8Å; P1094-Y1114 HydrophobicContact CG-CG 4.43Å; L1106-Y1114 CarbonylContact O-C 3.45Å; L1106-Y1114 VanDerWaalsContact O-CA 3.29Å; L1106-Y1114 WeakPolarHBondContact O-CA 3.45Å; L1106-Y1114 WeakPolarHBondContact O-CB 3.17Å; Q1107-Y1114 VanDerWaalsContact CA-CD1 3.47Å; Q1107-Y1114 HydrophobicContact CB-CD1 3.8Å; Q1107-Y1114 HydrophobicContact CB-CE1 3.74Å; Q1107-Y1114 HydrophobicContact CB-CG 4.49Å; Q1107-Y1114 HydrophobicContact CG-CD1 4.39Å; Q1107-Y1114 HydrophobicContact CG-CE1 4.16Å
1115	L	84.9	Confident	66.1	Low	12 Å²	12	92.3 Å²	92.3	6%	0.063	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.1	179.2	-62.4	176.4	0	0	0	110.5	P1089 L1090 C1092 L1106 A1108 C1117	P1089-L1115 HydrophobicContact CB-CD1 4.27Å; P1089-L1115 HydrophobicContact CB-CD2 4Å; P1089-L1115 HydrophobicContact CG-CD2 4.19Å; L1090-L1115 WeakPolarHBondContact O-CA 3.33Å; C1092-L1115 PolarHBondContact SG-N 2.85Å; C1092-L1115 VanDerWaalsContact SG-N 3.43Å; C1092-L1115 PolarHBondContact SG-O 3.44Å; L1106-L1115 PolarHBondContact N-O 3.43Å; L1106-L1115 PolarHBondContact O-N 3.13Å; A1108-L1115 HydrophobicContact CB-CD1 4.12Å; A1108-L1115 HydrophobicContact CB-CG 4.1Å; L1115-C1117 PolarHBondContact O-N 3.14Å; L1115-C1117 PolarHBondContact O-SG 2.67Å
1116	C	87.7	Confident	63.3	Low	1 Å²	1	98 Å²	98	1%	0.007	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.1	168.2	-68.7	0	0	0	0	110.2	P1080 Y1081 L1090 C1099 H1103	P1080-C1116 CarbonylContact C-O 3.52Å; P1080-C1116 WeakPolarHBondContact CA-O 3.39Å; Y1081-C1116 PolarHBondContact N-O 3.28Å; L1090-C1116 HydrophobicContact CB-CB 4.43Å; L1090-C1116 HydrophobicContact CD2-CB 4.06Å; L1090-C1116 HydrophobicContact CG-CB 4.24Å; L1090-C1116 PolarHBondContact O-N 3.29Å; C1099-C1116 WeakPolarHBondContact CA-SG 3.39Å; C1099-C1116 HydrophobicContact CB-CB 3.71Å; C1099-C1116 WeakPolarHBondContact CB-SG 3.3Å; C1099-C1116 WeakPolarHBondContact SG-CA 3.04Å; C1099-C1116 WeakPolarHBondContact SG-CB 3.34Å; C1099-C1116 CovalentContact SG-SG 2.04Å; C1099-C1116 PolarHBondContact SG-SG 3.14Å; H1103-C1116 HydrophobicContact CB-CB 4.26Å
1117	C	86.8	Confident	61.1	Low	1 Å²	1	100.1 Å²	100.1	1%	0.007	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.3	-167.5	-64.9	0	0	0	0	112.3	C1075 R1077 R1079 H1103 S1104 L1106 L1115	C1075-C1117 VanDerWaalsContact CA-SG 3.53Å; C1075-C1117 HydrophobicContact CB-CB 3.75Å; C1075-C1117 WeakPolarHBondContact CB-SG 3.46Å; C1075-C1117 VanDerWaalsContact SG-CA 3.51Å; C1075-C1117 WeakPolarHBondContact SG-CB 3.49Å; C1075-C1117 CovalentContact SG-SG 2.03Å; C1075-C1117 PolarHBondContact SG-SG 2.78Å; R1077-C1117 WeakPolarHBondContact O-CB 3.01Å; R1079-C1117 CarbonylContact O-C 3.49Å; R1079-C1117 WeakPolarHBondContact O-CA 3.01Å; H1103-C1117 CarbonylContact C-O 3.56Å; H1103-C1117 VanDerWaalsContact CA-O 3.27Å; H1103-C1117 WeakPolarHBondContact CA-O 3.35Å; S1104-C1117 PolarHBondContact N-O 2.81Å; S1104-C1117 PolarHBondContact O-N 2.68Å; L1106-C1117 HydrophobicContact CB-CB 4.24Å; L1106-C1117 HydrophobicContact CD1-CB 3.66Å; L1106-C1117 HydrophobicContact CG-CB 4Å; L1115-C1117 PolarHBondContact O-N 3.14Å; L1115-C1117 PolarHBondContact O-SG 2.67Å
1118	S	82.2	Confident	58.7	Low	35 Å²	35	101.7 Å²	101.7	25%	0.245	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.8	-167.7	-170.4	0	0	0	0	114.8	G1078 R1079 G1102 H1103 N1120	G1078-S1118 WeakPolarHBondContact CA-O 3.32Å; R1079-S1118 WeakPolarHBondContact O-CB 3.27Å; R1079-S1118 PolarHBondContact O-N 3.06Å; G1102-S1118 CarbonylContact O-C 3.53Å; G1102-S1118 WeakPolarHBondContact O-CA 3.37Å; G1102-S1118 PolarHBondContact O-OG 2.03Å; H1103-S1118 PolarHBondContact CD2-N 3.41Å; S1118-N1120 PolarHBondContact O-N 2.74Å
1119	S	69	Low	56.8	Low	57 Å²	57	106.2 Å²	106.2	40%	0.399	58%	0.579	S	S	.	*			trans	-84.8	85	-171.5	-46.5	0	0	0	0	112.3	G1102 S1104 V1121	G1102-S1119 PolarHBondContact O-N 2.98Å; G1102-S1119 PolarHBondContact O-OG 3.49Å; S1104-S1119 PolarHBondContact OG-OG 3.4Å; S1104-S1119 VanDerWaalsContact OG-OG 3.06Å; S1119-V1121 VanDerWaalsContact C-N 3.28Å; S1119-V1121 PolarHBondContact O-N 3.31Å
1120	N	53.7	Low	55	Low	132 Å²	132	107.5 Å²	107.5	71%	0.706	60%	0.595	S	S	*	*			trans	-75.2	52	-176.1	-75.3	-9.4	0	0	0	115.2	S1118	S1118-N1120 PolarHBondContact O-N 2.74Å
1121	V	42.3	Very low	53.7	Low	134 Å²	134	109.7 Å²	109.7	81%	0.812	59%	0.592	S	S	*	*			trans	-135.2	135.6	-179.1	-172.5	0	0	0	0	112.4	S1119	S1119-V1121 VanDerWaalsContact C-N 3.28Å; S1119-V1121 PolarHBondContact O-N 3.31Å
1122	R	33.4	Very low	52.7	Low	227 Å²	227	106.4 Å²	106.4	86%	0.857	59%	0.589	S	S	*	*			trans	-97.3	156.8	169.7	-68.8	-177.8	176.1	-178.8	-1.7	110.6
1123	N	34	Very low	51.7	Low	151 Å²	151	108.1 Å²	108.1	81%	0.807	59%	0.587	S	S	*	*	S	Bend	trans	79.2	122.1	166.6	-56.9	-7.7	0	0	0	118.1
1124	R	31.6	Very low	50.5	Low	248 Å²	248	111 Å²	111	94%	0.936	60%	0.6	S	S	*	*			trans	30	156.3	141.2	-84	-159.6	163.6	-163.8	-4.3	122.7
1125	P	37.3	Very low	48.9	Very low	107 Å²	107	110.6 Å²	110.6	70%	0.695	61%	0.606	S	S	*	*			trans	-125.3	-160.4	-134.7	45.3	-31.9	0	0	0	114.7
1126	L	28.9	Very low	47.6	Very low	158 Å²	158	112 Å²	112	83%	0.827	61%	0.613	S	S	*	*			trans	112.2	151	171.4	-63.4	167	0	0	0	113.3
1127	P	37	Very low	46.5	Very low	101 Å²	101	114.2 Å²	114.2	66%	0.656	63%	0.631	S	S	*	*				-136.9	-165.2	-53.8	36.8	-18.5	0	0	0	112.5
1128	L	31.7	Very low	45.6	Very low	162 Å²	162	115.5 Å²	115.5	85%	0.848	64%	0.639	S	S	*	*			trans	74.5	142.9	173.4	-52.2	159.6	0	0	0	115.4
1129	S	36.7	Very low	45.1	Very low	108 Å²	108	116.7 Å²	116.7	76%	0.755	66%	0.657	S	S	*	*			cis	-179.6	143.5	-23.8	48.4	0	0	0	0	106.5
1130	S	35.3	Very low	45.4	Very low	110 Å²	110	115.9 Å²	115.9	77%	0.769	65%	0.652	S	S	*	*			cis	-131.8	-165.7	-1.3	52.1	0	0	0	0	107.7
1131	V	38.1	Very low	46.6	Very low	127 Å²	127	114.3 Å²	114.3	77%	0.77	65%	0.649	S	S	*	*			cis	-131.4	163.5	11.5	177.6	0	0	0	0	108.6
1132	N	34.6	Very low	48.5	Very low	127 Å²	127	108.6 Å²	108.6	68%	0.679	61%	0.614	S	S	*	*			trans	-111.8	123	-171.9	-60.3	-15	0	0	0	113.4
1133	D	40.5	Very low	50.6	Low	172 Å²	172	104.1 Å²	104.1	92%	0.92	61%	0.612	S	S	*	*			trans	-104.7	71.7	152	-67.7	-39.2	0	0	0	108.2
1134	T	48.3	Very low	52.6	Low	91 Å²	91	98.8 Å²	98.8	56%	0.558	59%	0.587	S	S	*	*			trans	-110.4	113.8	170.9	47.3	0	0	0	0	108.2	N1136	T1134-N1136 PolarHBondContact O-N 2.79Å
1135	P	53.7	Low	54.6	Low	62 Å²	62	91.7 Å²	91.7	40%	0.403	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-59.1	135	-175.2	18.7	-29.8	0	0	0	111.9	D1147 R1149	P1135-D1147 CarbonylContact C-O 3.52Å; P1135-D1147 WeakPolarHBondContact CA-O 2.97Å; P1135-R1149 HydrophobicContact CB-CB 4.28Å; P1135-R1149 HydrophobicContact CB-CG 4.14Å; P1135-R1149 HydrophobicContact CG-CG 4.11Å
1136	N	56.1	Low	56	Low	42 Å²	42	91.5 Å²	91.5	23%	0.225	57%	0.569	C	S	.	*	B	Isolated β-bridge	trans	-71.2	136.9	-164.1	-76.5	-67	0	0	0	112.5	T1134 S1140 P1141 D1147 R1149 C1163	T1134-N1136 PolarHBondContact O-N 2.79Å; N1136-S1140 WeakPolarHBondContact OD1-CB 3.03Å; N1136-P1141 VanDerWaalsContact CG-O 3.3Å; N1136-P1141 PolarHBondContact ND2-O 2.82Å; N1136-P1141 PolarHBondContact OD1-O 3.44Å; N1136-D1147 VanDerWaalsContact CB-O 3.24Å; N1136-D1147 WeakPolarHBondContact CB-O 3.33Å; N1136-D1147 PolarHBondContact N-O 3.39Å; N1136-D1147 PolarHBondContact ND2-O 2.72Å; N1136-R1149 WeakPolarHBondContact O-CB 3.42Å; N1136-R1149 PolarHBondContact O-N 2.9Å; N1136-C1163 WeakPolarHBondContact CB-SG 3.02Å
1137	A	65	Low	57.9	Low	47 Å²	47	86.3 Å²	86.3	39%	0.388	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-75.5	165.6	169.6	0	0	0	0	0	110.8	G1139 S1140	A1137-G1139 PolarHBondContact O-N 3.11Å; A1137-S1140 VanDerWaalsContact O-CB 3.24Å; A1137-S1140 WeakPolarHBondContact O-CB 3.24Å; A1137-S1140 PolarHBondContact O-N 3.03Å; A1137-S1140 PolarHBondContact O-OG 3.29Å
1138	V	68.6	Low	59.6	Low	27 Å²	27	81.6 Å²	81.6	16%	0.164	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	130.4	173	-173	0	0	0	0	109.9	C1163 N1171 C1176	V1138-C1163 CarbonylContact C-O 3.54Å; V1138-C1163 WeakPolarHBondContact CA-O 3.37Å; V1138-N1171 HydrophobicContact CG1-CB 4.44Å; V1138-N1171 WeakPolarHBondContact CG1-ND2 3.4Å; V1138-C1176 VanDerWaalsContact CG2-SG 3.58Å
1139	G	71.8	Confident	61.1	Low	61 Å²	61	80.9 Å²	80.9	63%	0.629	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-3.8	-173.7	0	0	0	0	0	116	A1137 C1163	A1137-G1139 PolarHBondContact O-N 3.11Å; G1139-C1163 PolarHBondContact N-O 3.4Å
1140	S	75.2	Confident	62	Low	40 Å²	40	80.6 Å²	80.6	28%	0.28	49%	0.493	S	S	.	.	S	Bend	trans	-92.6	149.6	175.6	-57.4	0	0	0	0	111.7	N1136 A1137 A1162 C1163	N1136-S1140 WeakPolarHBondContact OD1-CB 3.03Å; A1137-S1140 VanDerWaalsContact O-CB 3.24Å; A1137-S1140 WeakPolarHBondContact O-CB 3.24Å; A1137-S1140 PolarHBondContact O-N 3.03Å; A1137-S1140 PolarHBondContact O-OG 3.29Å; S1140-A1162 WeakPolarHBondContact O-CA 3Å; S1140-C1163 PolarHBondContact O-N 2.86Å
1141	P	77.7	Confident	62.2	Low	99 Å²	99	79 Å²	79	64%	0.643	48%	0.476	S	S	*	.	B	Isolated β-bridge	trans	-74.6	143	-167.6	29.8	-36.1	0	0	0	113.6	N1136 G1161	N1136-P1141 VanDerWaalsContact CG-O 3.3Å; N1136-P1141 PolarHBondContact ND2-O 2.82Å; N1136-P1141 PolarHBondContact OD1-O 3.44Å; P1141-G1161 CarbonylContact C-O 3.48Å; P1141-G1161 VanDerWaalsContact CA-O 3.3Å; P1141-G1161 WeakPolarHBondContact CA-O 3.23Å
1142	C	82.1	Confident	62.3	Low	14 Å²	14	79.9 Å²	79.9	10%	0.095	48%	0.484	C	S	.	.			trans	-139.7	161.9	-173.6	64.6	0	0	0	0	112.6	D1147 C1158 G1161 A1162	C1142-D1147 HydrophobicContact CB-CB 3.89Å; C1142-C1158 VanDerWaalsContact C-SG 3.53Å; C1142-C1158 HydrophobicContact CB-CB 3.85Å; C1142-C1158 WeakPolarHBondContact CB-SG 3.49Å; C1142-C1158 WeakPolarHBondContact SG-CA 3.34Å; C1142-C1158 WeakPolarHBondContact SG-CB 3.12Å; C1142-C1158 CovalentContact SG-SG 2.03Å; C1142-C1158 PolarHBondContact SG-SG 3.48Å; C1142-G1161 PolarHBondContact N-O 3.38Å; C1142-G1161 VanDerWaalsContact SG-C 3.51Å; C1142-A1162 PolarHBondContact SG-N 3.48Å; C1142-A1162 VanDerWaalsContact SG-N 3.44Å; C1142-A1162 PolarHBondContact SG-O 2.98Å
1143	T	78.4	Confident	62.9	Low	132 Å²	132	77.4 Å²	77.4	81%	0.81	49%	0.489	S	S	*	.	S	Bend	trans	-122.4	-13.2	172	63.9	0	0	0	0	113	D1147	T1143-D1147 WeakPolarHBondContact CA-OD2 2.95Å; T1143-D1147 PolarHBondContact N-OD2 2.68Å; T1143-D1147 PolarHBondContact OG1-OD2 2.81Å
1144	S	75.2	Confident	63.5	Low	40 Å²	40	72.1 Å²	72.1	28%	0.28	46%	0.459	S	S	.	.	S	Bend	trans	-157.5	158.4	-176.1	65.6	0	0	0	0	109.8	S1146 D1147 C1158	S1144-S1146 WeakPolarHBondContact CB-OG 3.34Å; S1144-S1146 PolarHBondContact O-N 3.09Å; S1144-S1146 PolarHBondContact OG-OG 3.05Å; S1144-D1147 PolarHBondContact N-OD2 2.68Å; S1144-D1147 WeakPolarHBondContact O-CB 2.96Å; S1144-D1147 PolarHBondContact O-N 3.45Å; S1144-D1147 PolarHBondContact OG-N 2.82Å; S1144-D1147 PolarHBondContact OG-OD1 2.88Å; S1144-D1147 PolarHBondContact OG-OD2 3.02Å; S1144-C1158 VanDerWaalsContact C-CB 3.41Å; S1144-C1158 WeakPolarHBondContact O-CB 3.35Å
1145	D	74.7	Confident	64	Low	98 Å²	98	74.4 Å²	74.4	52%	0.524	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.6	175.1	-57.9	-52.2	0	0	0	112.5	D1147 C1148 C1158	D1145-D1147 PolarHBondContact O-N 3.17Å; D1145-C1148 WeakPolarHBondContact O-CB 3.24Å; D1145-C1148 PolarHBondContact O-N 3.36Å; D1145-C1158 PolarHBondContact OD1-N 3.4Å
1146	S	66.3	Low	64.6	Low	104 Å²	104	72.3 Å²	72.3	73%	0.727	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-64.7	-16	174.6	33.4	0	0	0	0	114.7	S1144 C1148	S1144-S1146 WeakPolarHBondContact CB-OG 3.34Å; S1144-S1146 PolarHBondContact O-N 3.09Å; S1144-S1146 PolarHBondContact OG-OG 3.05Å; S1146-C1148 VanDerWaalsContact C-N 3.32Å
1147	D	69.4	Low	65.5	Low	48 Å²	48	72.8 Å²	72.8	26%	0.257	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-79.5	-19.1	173.5	-58.4	-46	0	0	0	111.8	P1135 N1136 C1142 T1143 S1144 D1145	P1135-D1147 CarbonylContact C-O 3.52Å; P1135-D1147 WeakPolarHBondContact CA-O 2.97Å; N1136-D1147 VanDerWaalsContact CB-O 3.24Å; N1136-D1147 WeakPolarHBondContact CB-O 3.33Å; N1136-D1147 PolarHBondContact N-O 3.39Å; N1136-D1147 PolarHBondContact ND2-O 2.72Å; C1142-D1147 HydrophobicContact CB-CB 3.89Å; T1143-D1147 WeakPolarHBondContact CA-OD2 2.95Å; T1143-D1147 PolarHBondContact N-OD2 2.68Å; T1143-D1147 PolarHBondContact OG1-OD2 2.81Å; S1144-D1147 PolarHBondContact N-OD2 2.68Å; S1144-D1147 WeakPolarHBondContact O-CB 2.96Å; S1144-D1147 PolarHBondContact O-N 3.45Å; S1144-D1147 PolarHBondContact OG-N 2.82Å; S1144-D1147 PolarHBondContact OG-OD1 2.88Å; S1144-D1147 PolarHBondContact OG-OD2 3.02Å; D1145-D1147 PolarHBondContact O-N 3.17Å
1148	C	73	Confident	66.3	Low	2 Å²	2	72.1 Å²	72.1	1%	0.014	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-89.8	160.8	-180	-57.2	0	0	0	0	111.7	D1145 S1146 P1150 C1163	D1145-C1148 WeakPolarHBondContact O-CB 3.24Å; D1145-C1148 PolarHBondContact O-N 3.36Å; S1146-C1148 VanDerWaalsContact C-N 3.32Å; C1148-P1150 WeakPolarHBondContact O-CD 3.47Å; C1148-C1163 WeakPolarHBondContact CA-SG 3.46Å; C1148-C1163 HydrophobicContact CB-CB 3.82Å; C1148-C1163 WeakPolarHBondContact CB-SG 3.46Å; C1148-C1163 WeakPolarHBondContact SG-CA 3.28Å; C1148-C1163 WeakPolarHBondContact SG-CB 3.48Å; C1148-C1163 CovalentContact SG-SG 2.04Å; C1148-C1163 PolarHBondContact SG-SG 3.46Å
1149	R	62.9	Low	66.8	Low	147 Å²	147	76.8 Å²	76.8	56%	0.555	47%	0.466	S	S	*	.			trans	-96.2	106.1	-166.6	-151.8	-176.3	-155.9	-179.9	6.8	113.4	P1135 N1136 N1151 S1156	P1135-R1149 HydrophobicContact CB-CB 4.28Å; P1135-R1149 HydrophobicContact CB-CG 4.14Å; P1135-R1149 HydrophobicContact CG-CG 4.11Å; N1136-R1149 WeakPolarHBondContact O-CB 3.42Å; N1136-R1149 PolarHBondContact O-N 2.9Å; R1149-N1151 PolarHBondContact O-N 3.23Å; R1149-N1151 VanDerWaalsContact O-N 3.12Å; R1149-S1156 PolarHBondContact N-OG 2.87Å; R1149-S1156 PolarHBondContact O-OG 2.95Å
1150	P	54.7	Low	67.2	Low	103 Å²	103	81.8 Å²	81.8	67%	0.669	48%	0.478	S	S	*	.			trans	-72.7	107.2	167.7	30.1	-33.9	0	0	0	110	C1148	C1148-P1150 WeakPolarHBondContact O-CD 3.47Å
1151	N	40.7	Very low	67.4	Low	77 Å²	77	81.8 Å²	81.8	41%	0.412	48%	0.484	S	S	.	.			trans	-69.6	154.8	150.9	-84	-23.2	0	0	0	108.6	R1149 G1153	R1149-N1151 PolarHBondContact O-N 3.23Å; R1149-N1151 VanDerWaalsContact O-N 3.12Å; N1151-G1153 VanDerWaalsContact C-N 3.28Å; N1151-G1153 PolarHBondContact O-N 3.24Å
1152	P	39.6	Very low	67.7	Low	145 Å²	145	78.8 Å²	78.8	94%	0.942	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	80.3	175.3	-19.6	33.9	0	0	0	112.7
1153	G	46.9	Very low	67.7	Low	75 Å²	75	78.3 Å²	78.3	77%	0.773	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	139.6	0.8	173	0	0	0	0	0	117.6	N1151	N1151-G1153 VanDerWaalsContact C-N 3.28Å; N1151-G1153 PolarHBondContact O-N 3.24Å
1154	E	53.6	Low	67.8	Low	61 Å²	61	73.6 Å²	73.6	29%	0.285	44%	0.439	S	S	.	.			trans	-131.7	141	-174.6	-65.5	174.7	-174.5	0	0	111	E1169 C1176	E1154-E1169 WeakPolarHBondContact CA-OE1 3.22Å; E1154-C1176 HydrophobicContact CB-CB 4.24Å; E1154-C1176 WeakPolarHBondContact CG-O 3.43Å; E1154-C1176 PolarHBondContact OE2-N 2.87Å
1155	E	58.2	Low	67.9	Low	139 Å²	139	72.7 Å²	72.7	65%	0.65	43%	0.433	S	S	*	.			trans	-107.5	76.5	-170.6	-70.7	-170.4	167.3	0	0	113.7	V1157 S1166 E1169	E1155-V1157 PolarHBondContact O-N 2.94Å; E1155-S1166 WeakPolarHBondContact O-CB 3.41Å; E1155-S1166 PolarHBondContact O-N 2.84Å; E1155-E1169 PolarHBondContact N-OE1 2.89Å; E1155-E1169 PolarHBondContact N-OE2 3.34Å
1156	S	66.9	Low	67.7	Low	18 Å²	18	69 Å²	69	13%	0.126	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.7	167.1	71.8	0	0	0	0	111.6	R1149 A1164	R1149-S1156 PolarHBondContact N-OG 2.87Å; R1149-S1156 PolarHBondContact O-OG 2.95Å; S1156-A1164 CarbonylContact C-O 3.34Å; S1156-A1164 WeakPolarHBondContact CA-O 3.48Å
1157	V	75.6	Confident	68	Low	52 Å²	52	73.6 Å²	73.6	32%	0.315	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	158.1	-178.6	-67.1	0	0	0	0	111.8	E1155 H1159 C1163 A1164	E1155-V1157 PolarHBondContact O-N 2.94Å; V1157-H1159 PolarHBondContact O-N 2.92Å; V1157-C1163 WeakPolarHBondContact O-CA 3.33Å; V1157-A1164 PolarHBondContact N-O 3.03Å; V1157-A1164 PolarHBondContact O-N 2.87Å
1158	C	81.5	Confident	67.9	Low	33 Å²	33	78.5 Å²	78.5	22%	0.223	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.4	176.6	-176.1	0	0	0	0	110.8	C1142 S1144 D1145	C1142-C1158 VanDerWaalsContact C-SG 3.53Å; C1142-C1158 HydrophobicContact CB-CB 3.85Å; C1142-C1158 WeakPolarHBondContact CB-SG 3.49Å; C1142-C1158 WeakPolarHBondContact SG-CA 3.34Å; C1142-C1158 WeakPolarHBondContact SG-CB 3.12Å; C1142-C1158 CovalentContact SG-SG 2.03Å; C1142-C1158 PolarHBondContact SG-SG 3.48Å; S1144-C1158 VanDerWaalsContact C-CB 3.41Å; S1144-C1158 WeakPolarHBondContact O-CB 3.35Å; D1145-C1158 PolarHBondContact OD1-N 3.4Å
1159	H	78.6	Confident	67.9	Low	124 Å²	124	80 Å²	80	57%	0.574	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.7	-176.7	-168.1	-74.3	0	0	0	111	V1157 G1161 A1162 A1164	V1157-H1159 PolarHBondContact O-N 2.92Å; H1159-G1161 PolarHBondContact O-N 2.03Å; H1159-G1161 VanDerWaalsContact O-N 3.11Å; H1159-A1162 CarbonylContact C-O 3.1Å; H1159-A1162 PolarHBondContact N-O 2.95Å; H1159-A1162 PolarHBondContact O-N 2.88Å; H1159-A1164 HydrophobicContact CB-CB 3.92Å
1160	D	80.2	Confident	68.3	Low	166 Å²	166	75.1 Å²	75.1	89%	0.888	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	30.7	179.4	-128.8	3.9	0	0	0	114.5
1161	G	79.4	Confident	69.1	Low	40 Å²	40	72.1 Å²	72.1	41%	0.412	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	6.8	-179.6	0	0	0	0	0	115.5	P1141 C1142 H1159	P1141-G1161 CarbonylContact C-O 3.48Å; P1141-G1161 VanDerWaalsContact CA-O 3.3Å; P1141-G1161 WeakPolarHBondContact CA-O 3.23Å; C1142-G1161 PolarHBondContact N-O 3.38Å; C1142-G1161 VanDerWaalsContact SG-C 3.51Å; H1159-G1161 PolarHBondContact O-N 2.03Å; H1159-G1161 VanDerWaalsContact O-N 3.11Å
1162	A	82.8	Confident	70.7	Confident	37 Å²	37	69.8 Å²	69.8	31%	0.306	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.2	171.6	0	0	0	0	0	112	S1140 C1142 H1159 A1164	S1140-A1162 WeakPolarHBondContact O-CA 3Å; C1142-A1162 PolarHBondContact SG-N 3.48Å; C1142-A1162 VanDerWaalsContact SG-N 3.44Å; C1142-A1162 PolarHBondContact SG-O 2.98Å; H1159-A1162 CarbonylContact C-O 3.1Å; H1159-A1162 PolarHBondContact N-O 2.95Å; H1159-A1162 PolarHBondContact O-N 2.88Å; A1162-A1164 PolarHBondContact O-N 3Å
1163	C	83.8	Confident	72.1	Confident	3 Å²	3	70 Å²	70	2%	0.02	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	121.5	174.5	-63.5	0	0	0	0	110.5	N1136 V1138 G1139 S1140 C1148 V1157	N1136-C1163 WeakPolarHBondContact CB-SG 3.02Å; V1138-C1163 CarbonylContact C-O 3.54Å; V1138-C1163 WeakPolarHBondContact CA-O 3.37Å; G1139-C1163 PolarHBondContact N-O 3.4Å; S1140-C1163 PolarHBondContact O-N 2.86Å; C1148-C1163 WeakPolarHBondContact CA-SG 3.46Å; C1148-C1163 HydrophobicContact CB-CB 3.82Å; C1148-C1163 WeakPolarHBondContact CB-SG 3.46Å; C1148-C1163 WeakPolarHBondContact SG-CA 3.28Å; C1148-C1163 WeakPolarHBondContact SG-CB 3.48Å; C1148-C1163 CovalentContact SG-SG 2.04Å; C1148-C1163 PolarHBondContact SG-SG 3.46Å; V1157-C1163 WeakPolarHBondContact O-CA 3.33Å
1164	A	79.5	Confident	73	Confident	33 Å²	33	67.9 Å²	67.9	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.5	175.8	0	0	0	0	0	109.9	S1156 V1157 H1159 A1162	S1156-A1164 CarbonylContact C-O 3.34Å; S1156-A1164 WeakPolarHBondContact CA-O 3.48Å; V1157-A1164 PolarHBondContact N-O 3.03Å; V1157-A1164 PolarHBondContact O-N 2.87Å; H1159-A1164 HydrophobicContact CB-CB 3.92Å; A1162-A1164 PolarHBondContact O-N 3Å
1165	C	78.7	Confident	73.5	Confident	21 Å²	21	70.2 Å²	70.2	14%	0.142	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	158.4	166.7	-60.5	0	0	0	0	110.5	E1169 C1176	C1165-E1169 HydrophobicContact CB-CB 3.83Å; C1165-C1176 WeakPolarHBondContact CA-SG 3.47Å; C1165-C1176 HydrophobicContact CB-CB 3.72Å; C1165-C1176 WeakPolarHBondContact CB-SG 3.44Å; C1165-C1176 WeakPolarHBondContact SG-CA 3.43Å; C1165-C1176 WeakPolarHBondContact SG-CB 3.35Å; C1165-C1176 CovalentContact SG-SG 2.04Å; C1165-C1176 PolarHBondContact SG-SG 3.44Å
1166	S	70.4	Confident	74.2	Confident	20 Å²	20	63.8 Å²	63.8	14%	0.14	35%	0.351	C	S	.	.			trans	-61.5	162.1	173.4	74.2	0	0	0	0	111.1	E1155 K1168 E1169	E1155-S1166 WeakPolarHBondContact O-CB 3.41Å; E1155-S1166 PolarHBondContact O-N 2.84Å; S1166-K1168 PolarHBondContact O-N 2.85Å; S1166-E1169 VanDerWaalsContact CB-OE2 3.23Å; S1166-E1169 WeakPolarHBondContact CB-OE2 3.22Å; S1166-E1169 PolarHBondContact N-OE2 2.93Å; S1166-E1169 PolarHBondContact O-N 3.43Å; S1166-E1169 VanDerWaalsContact OG-CD 3.23Å; S1166-E1169 PolarHBondContact OG-OE2 3.07Å
1167	H	71.3	Confident	74.5	Confident	201 Å²	201	64.2 Å²	64.2	93%	0.931	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	3.8	179.7	-160.9	-55.4	0	0	0	114
1168	K	67.9	Low	74.1	Confident	151 Å²	151	65.4 Å²	65.4	66%	0.657	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-5.5	176.2	-62.5	-180	-178.8	175.2	0	113.7	S1166 E1179	S1166-K1168 PolarHBondContact O-N 2.85Å; K1168-E1179 WeakPolarHBondContact O-CA 3.31Å; K1168-E1179 WeakPolarHBondContact O-CG 3.48Å; K1168-E1179 PolarHBondContact O-N 2.83Å
1169	E	72.6	Confident	73.2	Confident	33 Å²	33	69.9 Å²	69.9	15%	0.154	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	160	-176.3	-68.1	158.9	144.8	0	0	110.1	E1154 E1155 C1165 S1166 C1176 V1177	E1154-E1169 WeakPolarHBondContact CA-OE1 3.22Å; E1155-E1169 PolarHBondContact N-OE1 2.89Å; E1155-E1169 PolarHBondContact N-OE2 3.34Å; C1165-E1169 HydrophobicContact CB-CB 3.83Å; S1166-E1169 VanDerWaalsContact CB-OE2 3.23Å; S1166-E1169 WeakPolarHBondContact CB-OE2 3.22Å; S1166-E1169 PolarHBondContact N-OE2 2.93Å; S1166-E1169 PolarHBondContact O-N 3.43Å; S1166-E1169 VanDerWaalsContact OG-CD 3.23Å; S1166-E1169 PolarHBondContact OG-OE2 3.07Å; E1169-C1176 HydrophobicContact CB-CB 3.91Å; E1169-C1176 HydrophobicContact CG-CB 4.27Å; E1169-V1177 CarbonylContact C-O 3.58Å; E1169-V1177 VanDerWaalsContact CA-O 3.29Å; E1169-V1177 WeakPolarHBondContact CA-O 3.2Å
1170	K	72.4	Confident	72.9	Confident	46 Å²	46	71.3 Å²	71.3	20%	0.2	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.5	179.2	-68.3	172.2	177.1	169.4	0	110	L1172 C1176 V1177 E1179 N1187	K1170-L1172 PolarHBondContact O-N 2.8Å; K1170-C1176 WeakPolarHBondContact O-CA 3.04Å; K1170-V1177 HydrophobicContact CB-CG2 4.25Å; K1170-V1177 PolarHBondContact N-O 3.41Å; K1170-V1177 WeakPolarHBondContact O-CG2 3.3Å; K1170-V1177 PolarHBondContact O-N 2.87Å; K1170-E1179 VanDerWaalsContact CE-O 3.28Å; K1170-E1179 WeakPolarHBondContact CE-O 3.43Å; K1170-E1179 PolarHBondContact NZ-O 2.91Å; K1170-N1187 HydrophobicContact CD-CB 4.42Å; K1170-N1187 VanDerWaalsContact CD-OD1 3.3Å; K1170-N1187 WeakPolarHBondContact CD-OD1 3.43Å; K1170-N1187 WeakPolarHBondContact CE-OD1 3.17Å
1171	N	69.7	Low	72.7	Confident	40 Å²	40	64.5 Å²	64.5	21%	0.214	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.9	179.9	-175.7	1.1	0	0	0	110.3	V1138 G1174 Q1175 G1190 Q1191 C1192	V1138-N1171 HydrophobicContact CG1-CB 4.44Å; V1138-N1171 WeakPolarHBondContact CG1-ND2 3.4Å; N1171-G1174 WeakPolarHBondContact OD1-CA 3.48Å; N1171-G1174 PolarHBondContact OD1-N 3.45Å; N1171-Q1175 WeakPolarHBondContact CA-O 3.36Å; N1171-G1190 PolarHBondContact N-O 2.87Å; N1171-Q1191 WeakPolarHBondContact O-CA 3.36Å; N1171-C1192 PolarHBondContact O-N 3.15Å
1172	L	74.4	Confident	72.5	Confident	27 Å²	27	65.4 Å²	65.4	14%	0.141	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	106.5	170.3	-179.9	72.2	0	0	0	108	K1170 G1174 Q1175 V1177 P1182 Y1185 C1192	K1170-L1172 PolarHBondContact O-N 2.8Å; L1172-G1174 PolarHBondContact O-N 3.38Å; L1172-Q1175 PolarHBondContact N-O 3.49Å; L1172-Q1175 PolarHBondContact O-N 2.79Å; L1172-V1177 HydrophobicContact CB-CG1 4.1Å; L1172-V1177 HydrophobicContact CB-CG2 4.04Å; L1172-V1177 HydrophobicContact CD2-CG1 3.95Å; L1172-P1182 HydrophobicContact CD2-CG 3.75Å; L1172-Y1185 HydrophobicContact CD1-CD1 3.76Å; L1172-Y1185 HydrophobicContact CD1-CD2 4.36Å; L1172-Y1185 HydrophobicContact CD1-CE1 3.81Å; L1172-Y1185 HydrophobicContact CD1-CE2 4.42Å; L1172-Y1185 HydrophobicContact CD1-CG 4.05Å; L1172-C1192 HydrophobicContact CB-CB 4.18Å; L1172-C1192 HydrophobicContact CD1-CB 3.66Å; L1172-C1192 HydrophobicContact CG-CB 4.5Å
1173	D	70.6	Confident	72.1	Confident	150 Å²	150	70.3 Å²	70.3	80%	0.802	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	34.7	-179.1	-69.4	-25.9	0	0	0	115.4
1174	G	63.8	Low	71.9	Confident	31 Å²	31	74.3 Å²	74.3	32%	0.32	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	11.1	179.3	0	0	0	0	0	115.4	N1171 L1172	N1171-G1174 WeakPolarHBondContact OD1-CA 3.48Å; N1171-G1174 PolarHBondContact OD1-N 3.45Å; L1172-G1174 PolarHBondContact O-N 3.38Å
1175	Q	65.1	Low	71.8	Confident	109 Å²	109	76.8 Å²	76.8	51%	0.509	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	156.4	170.1	-60.6	-178.2	-4.5	0	0	110.3	N1171 L1172	N1171-Q1175 WeakPolarHBondContact CA-O 3.36Å; L1172-Q1175 PolarHBondContact N-O 3.49Å; L1172-Q1175 PolarHBondContact O-N 2.79Å
1176	C	72.9	Confident	71.8	Confident	4 Å²	4	81.5 Å²	81.5	3%	0.027	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	89	-171.3	-68.2	0	0	0	0	111	V1138 E1154 C1165 E1169 K1170	V1138-C1176 VanDerWaalsContact CG2-SG 3.58Å; E1154-C1176 HydrophobicContact CB-CB 4.24Å; E1154-C1176 WeakPolarHBondContact CG-O 3.43Å; E1154-C1176 PolarHBondContact OE2-N 2.87Å; C1165-C1176 WeakPolarHBondContact CA-SG 3.47Å; C1165-C1176 HydrophobicContact CB-CB 3.72Å; C1165-C1176 WeakPolarHBondContact CB-SG 3.44Å; C1165-C1176 WeakPolarHBondContact SG-CA 3.43Å; C1165-C1176 WeakPolarHBondContact SG-CB 3.35Å; C1165-C1176 CovalentContact SG-SG 2.04Å; C1165-C1176 PolarHBondContact SG-SG 3.44Å; E1169-C1176 HydrophobicContact CB-CB 3.91Å; E1169-C1176 HydrophobicContact CG-CB 4.27Å; K1170-C1176 WeakPolarHBondContact O-CA 3.04Å
1177	V	73.1	Confident	71.9	Confident	27 Å²	27	84.6 Å²	84.6	16%	0.164	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.7	-175.1	-62.3	0	0	0	0	112.2	E1169 K1170 L1172 E1179	E1169-V1177 CarbonylContact C-O 3.58Å; E1169-V1177 VanDerWaalsContact CA-O 3.29Å; E1169-V1177 WeakPolarHBondContact CA-O 3.2Å; K1170-V1177 HydrophobicContact CB-CG2 4.25Å; K1170-V1177 PolarHBondContact N-O 3.41Å; K1170-V1177 WeakPolarHBondContact O-CG2 3.3Å; K1170-V1177 PolarHBondContact O-N 2.87Å; L1172-V1177 HydrophobicContact CB-CG1 4.1Å; L1172-V1177 HydrophobicContact CB-CG2 4.04Å; L1172-V1177 HydrophobicContact CD2-CG1 3.95Å; V1177-E1179 PolarHBondContact O-N 2.83Å
1178	A	66.9	Low	72.1	Confident	78 Å²	78	77.7 Å²	77.7	65%	0.645	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	123.3	-173	0	0	0	0	0	113.8	M1180	A1178-M1180 PolarHBondContact O-N 3.2Å
1179	E	63.3	Low	72.2	Confident	127 Å²	127	78.2 Å²	78.2	59%	0.593	43%	0.43	S	S	*	.	S	Bend	trans	46.5	-39.2	173.4	-66.9	-167.2	176	0	0	120.2	K1168 K1170 V1177	K1168-E1179 WeakPolarHBondContact O-CA 3.31Å; K1168-E1179 WeakPolarHBondContact O-CG 3.48Å; K1168-E1179 PolarHBondContact O-N 2.83Å; K1170-E1179 VanDerWaalsContact CE-O 3.28Å; K1170-E1179 WeakPolarHBondContact CE-O 3.43Å; K1170-E1179 PolarHBondContact NZ-O 2.91Å; V1177-E1179 PolarHBondContact O-N 2.83Å
1180	M	71.8	Confident	72	Confident	153 Å²	153	78.4 Å²	78.4	75%	0.754	44%	0.441	S	S	*	.	S	Bend	trans	-119.9	131.9	-175.4	-59	-174.7	-174.8	0	0	110.7	A1178	A1178-M1180 PolarHBondContact O-N 3.2Å
1181	C	75.6	Confident	72	Confident	23 Å²	23	80.7 Å²	80.7	16%	0.155	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-68.3	135.2	170.8	-65.8	0	0	0	0	109.6	Y1185 C1192	C1181-Y1185 VanDerWaalsContact CB-O 3.23Å; C1181-Y1185 WeakPolarHBondContact CB-O 3.27Å; C1181-C1192 WeakPolarHBondContact CA-SG 3Å; C1181-C1192 HydrophobicContact CB-CB 3.76Å; C1181-C1192 WeakPolarHBondContact CB-SG 3.36Å; C1181-C1192 WeakPolarHBondContact SG-CA 3.02Å; C1181-C1192 WeakPolarHBondContact SG-CB 3.28Å; C1181-C1192 CovalentContact SG-SG 2.04Å; C1181-C1192 PolarHBondContact SG-SG 2.03Å
1182	P	75	Confident	72.5	Confident	59 Å²	59	79.2 Å²	79.2	38%	0.383	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-66.9	135.4	176.7	27.2	-33.2	0	0	0	109.9	L1172 Y1185	L1172-P1182 HydrophobicContact CD2-CG 3.75Å; P1182-Y1185 HydrophobicContact CG-CD2 4.45Å; P1182-Y1185 WeakPolarHBondContact O-CB 3.47Å; P1182-Y1185 WeakPolarHBondContact O-CD2 3.38Å; P1182-Y1185 PolarHBondContact O-N 3.29Å
1183	V	75	Confident	72.7	Confident	140 Å²	140	81 Å²	81	85%	0.848	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	128.4	174.8	-179.8	0	0	0	0	108.9
1184	P	79.9	Confident	72.9	Confident	87 Å²	87	77 Å²	77	57%	0.565	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	cis	-99.4	11.4	18.6	39.8	-38.2	0	0	0	116.4	P1195	P1184-P1195 WeakPolarHBondContact O-CD 3.49Å; P1184-P1195 WeakPolarHBondContact O-CG 3.47Å
1185	Y	78.1	Confident	73.2	Confident	86 Å²	86	78.4 Å²	78.4	34%	0.337	44%	0.444	S	S	.	.			trans	-76.2	138.3	-173.1	-63.2	-104	0	0	0	112.6	L1172 C1181 P1182 C1192 Q1193	L1172-Y1185 HydrophobicContact CD1-CD1 3.76Å; L1172-Y1185 HydrophobicContact CD1-CD2 4.36Å; L1172-Y1185 HydrophobicContact CD1-CE1 3.81Å; L1172-Y1185 HydrophobicContact CD1-CE2 4.42Å; L1172-Y1185 HydrophobicContact CD1-CG 4.05Å; C1181-Y1185 VanDerWaalsContact CB-O 3.23Å; C1181-Y1185 WeakPolarHBondContact CB-O 3.27Å; P1182-Y1185 HydrophobicContact CG-CD2 4.45Å; P1182-Y1185 WeakPolarHBondContact O-CB 3.47Å; P1182-Y1185 WeakPolarHBondContact O-CD2 3.38Å; P1182-Y1185 PolarHBondContact O-N 3.29Å; Y1185-C1192 WeakPolarHBondContact CD1-O 3.06Å; Y1185-Q1193 CarbonylContact C-O 3.58Å; Y1185-Q1193 WeakPolarHBondContact CA-O 3.44Å
1186	E	76.9	Confident	73.1	Confident	120 Å²	120	82 Å²	82	56%	0.561	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	154.4	174.5	-73.8	-178.4	-178.1	0	0	111.5	C1192 Q1193 P1195	E1186-C1192 CarbonylContact O-C 3.55Å; E1186-C1192 WeakPolarHBondContact O-CA 3.03Å; E1186-Q1193 PolarHBondContact N-O 2.92Å; E1186-Q1193 PolarHBondContact O-N 3.21Å; E1186-P1195 HydrophobicContact CG-CG 4.11Å
1187	N	73.6	Confident	71.8	Confident	84 Å²	84	91.9 Å²	91.9	45%	0.449	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	108.4	-179.5	170.8	74.6	0	0	0	111.1	K1170 Q1191	K1170-N1187 HydrophobicContact CD-CB 4.42Å; K1170-N1187 VanDerWaalsContact CD-OD1 3.3Å; K1170-N1187 WeakPolarHBondContact CD-OD1 3.43Å; K1170-N1187 WeakPolarHBondContact CE-OD1 3.17Å; N1187-Q1191 WeakPolarHBondContact CA-O 3.02Å
1188	V	75.3	Confident	71.7	Confident	57 Å²	57	95.2 Å²	95.2	35%	0.345	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.5	176.3	-175.8	0	0	0	0	107.8	G1190 Q1191 Q1193	V1188-G1190 PolarHBondContact O-N 2.95Å; V1188-G1190 VanDerWaalsContact O-N 3.08Å; V1188-Q1191 PolarHBondContact N-O 2.04Å; V1188-Q1191 WeakPolarHBondContact O-CB 3.37Å; V1188-Q1191 PolarHBondContact O-N 3.01Å; V1188-Q1193 HydrophobicContact CB-CG 4.23Å; V1188-Q1193 HydrophobicContact CG2-CB 4.25Å; V1188-Q1193 HydrophobicContact CG2-CG 4.48Å
1189	D	70.6	Confident	72	Confident	162 Å²	162	96.1 Å²	96.1	87%	0.866	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	39.9	177.1	-59.1	-27.1	0	0	0	115.5	Q1191	D1189-Q1191 VanDerWaalsContact C-N 3.32Å; D1189-Q1191 PolarHBondContact O-N 3.35Å
1190	G	67.6	Low	72.5	Confident	37 Å²	37	94.3 Å²	94.3	38%	0.381	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-0.3	179.3	0	0	0	0	0	115	N1171 V1188	N1171-G1190 PolarHBondContact N-O 2.87Å; V1188-G1190 PolarHBondContact O-N 2.95Å; V1188-G1190 VanDerWaalsContact O-N 3.08Å
1191	Q	73.1	Confident	72.5	Confident	93 Å²	93	90.9 Å²	90.9	44%	0.435	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	144	170.5	-58.5	-177.2	-2.5	0	0	110.6	N1171 N1187 V1188 D1189 Q1193	N1171-Q1191 WeakPolarHBondContact O-CA 3.36Å; N1187-Q1191 WeakPolarHBondContact CA-O 3.02Å; V1188-Q1191 PolarHBondContact N-O 2.04Å; V1188-Q1191 WeakPolarHBondContact O-CB 3.37Å; V1188-Q1191 PolarHBondContact O-N 3.01Å; D1189-Q1191 VanDerWaalsContact C-N 3.32Å; D1189-Q1191 PolarHBondContact O-N 3.35Å; Q1191-Q1193 HydrophobicContact CB-CG 4.06Å
1192	C	79.2	Confident	72.3	Confident	10 Å²	10	95.1 Å²	95.1	7%	0.068	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	103	168.5	-65.4	0	0	0	0	109.2	N1171 L1172 C1181 Y1185 E1186	N1171-C1192 PolarHBondContact O-N 3.15Å; L1172-C1192 HydrophobicContact CB-CB 4.18Å; L1172-C1192 HydrophobicContact CD1-CB 3.66Å; L1172-C1192 HydrophobicContact CG-CB 4.5Å; C1181-C1192 WeakPolarHBondContact CA-SG 3Å; C1181-C1192 HydrophobicContact CB-CB 3.76Å; C1181-C1192 WeakPolarHBondContact CB-SG 3.36Å; C1181-C1192 WeakPolarHBondContact SG-CA 3.02Å; C1181-C1192 WeakPolarHBondContact SG-CB 3.28Å; C1181-C1192 CovalentContact SG-SG 2.04Å; C1181-C1192 PolarHBondContact SG-SG 2.03Å; Y1185-C1192 WeakPolarHBondContact CD1-O 3.06Å; E1186-C1192 CarbonylContact O-C 3.55Å; E1186-C1192 WeakPolarHBondContact O-CA 3.03Å
1193	Q	79	Confident	72.2	Confident	65 Å²	65	97.5 Å²	97.5	30%	0.304	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.5	-177	-62.3	-173.9	-0.3	0	0	110.7	Y1185 E1186 V1188 Q1191	Y1185-Q1193 CarbonylContact C-O 3.58Å; Y1185-Q1193 WeakPolarHBondContact CA-O 3.44Å; E1186-Q1193 PolarHBondContact N-O 2.92Å; E1186-Q1193 PolarHBondContact O-N 3.21Å; V1188-Q1193 HydrophobicContact CB-CG 4.23Å; V1188-Q1193 HydrophobicContact CG2-CB 4.25Å; V1188-Q1193 HydrophobicContact CG2-CG 4.48Å; Q1191-Q1193 HydrophobicContact CB-CG 4.06Å
1194	A	74.6	Confident	72	Confident	64 Å²	64	94.5 Å²	94.5	53%	0.529	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-71.9	140.1	172.4	0	0	0	0	0	110	Q1196	A1194-Q1196 PolarHBondContact O-N 3.39Å
1195	P	71.2	Confident	71.3	Confident	61 Å²	61	95.1 Å²	95.1	40%	0.396	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-56.6	128.1	176.2	-24.2	33	0	0	0	111.1	P1184 E1186	P1184-P1195 WeakPolarHBondContact O-CD 3.49Å; P1184-P1195 WeakPolarHBondContact O-CG 3.47Å; E1186-P1195 HydrophobicContact CG-CG 4.11Å
1196	Q	63.1	Low	70.8	Confident	186 Å²	186	95.8 Å²	95.8	87%	0.869	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-79	135.1	172.9	-63.5	-168.6	12.8	0	0	109.8	A1194	A1194-Q1196 PolarHBondContact O-N 3.39Å
1197	T	45.1	Very low	70.2	Confident	211 Å²	211	93.6 Å²	93.6	100%	1.294	54%	0.54	S	S	*	.			trans	-83.2	0	-179.7	55.9	0	0	0	0	112.7

Retrieved 1,197 of 1,197 residues in 1869.3 ms (Link to these results)

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