A0A087XC55_POEFO Loading...

Neuropilin

AlphaFold DB , UniProt , Accession A0A087XC55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 913 aa.

						>A0A087XC55_POEFO|A0A087XC55
MDFPTTLVGFLITLCHLGCGVGGQSDSDCGGVLDASKPGYITSPGYPLEYPPHQNCHWVIQAPETSQRIVLNFNPHFEIERLDCKYDFIEIRDGTSETADVLGRHCSNIAPPPIISSGPLIQIRFVSDYAHQGAGFSLRYEIFKTGSEFCFRNFTSPSGMIESPGFPDKYPHNLECSYMIMAPPHMDITLTFLTFDLENDPLMVGEGDCKYDWLEVWDGLPQASPLIGRYCGTKIPPEIQSSSGLLSLSFHTDMAVAKDGFSARYNITHKEVADSFHCSSALGMESGKISDDQITASTSFYDNRWLPRQARLNNDDNAWTPSEDSNKEYIEVDLHFLKVLTGIATQGAISKETQKAYYVTSFKLEVSTNGEDWMVYRHGKNHRIFHANTDPAEVVLNRIPQPVLARFVRIRPQTWKNGIALRFELHGCQITGAPCSDLQGLMSGLLPDAQISVSSSRDMMWNPSTARLVASRSGWFPAPAQPLAGEEWLQVDLGVPKTVRGVITQGARGGDPGSGPATDNRAFVRKYKVAHSLNGKDWNFIMDVKTSQPKLFEGNTQYDTPELRHFEETVAQYIRLYPERWSPGGIGMRVEILGCDLPEISTPTTTTTTTTTPTPETTTVLNTTTAATPPSSLGMCDFDHDLCGWTQDPGASLLWSRRKQSLNNYLYLDVSLKNLEQRARLVSPVVPANAGPLCLLFSYQMWGDSQGNLNVFLRDDLNDEVLLWSLRDNHTMVWKEGRTIVPRSPKEFQVVIEGFFHHSTRGHIWIDNLHMSASSPLKECTEPFSAFSPENPGTRHIGDGRLSMGRDPLGSGLHIPEWNVPTSPSSDPPVTHTSEKDNSWLYTLDPILVTIIVMSSLGVLLGAVCAGLLLYCTCSYSGLSSRSSTTLENYNFELYDGLKHKVKLNQQRCCTEA
					

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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	34.7	Very low	36.9	Very low	224 Å²	224	148.5 Å²	148.5	100%	1.103	82%	0.818	S	S	*	*				0	106	0	-66.7	-176	-175	0	0	110.7
2	D	31.4	Very low	37.1	Very low	156 Å²	156	149 Å²	149	83%	0.834	82%	0.815	S	S	*	*				-159.2	150.5	-59	-84.8	-36	0	0	0	109.6
3	F	30.3	Very low	37.6	Very low	200 Å²	200	146.5 Å²	146.5	88%	0.877	81%	0.807	S	S	*	*			trans	-71.1	176.1	165.5	-87.8	-81	0	0	0	110.9
4	P	51.3	Low	37.8	Very low	93 Å²	93	147.2 Å²	147.2	60%	0.604	81%	0.808	S	S	*	*			cis	-138.1	-162.1	-15.1	26.2	-1	0	0	0	113.3
5	T	34.3	Very low	37.7	Very low	117 Å²	117	144.3 Å²	144.3	72%	0.718	80%	0.801	S	S	*	*			trans	66.5	153.1	137.7	48.8	0	0	0	0	121.4
6	T	34.4	Very low	37.2	Very low	120 Å²	120	147.3 Å²	147.3	74%	0.736	81%	0.807	S	S	*	*			cis	-166.5	154.8	-22.1	22.5	0	0	0	0	110.1
7	L	37.1	Very low	37.3	Very low	154 Å²	154	148.3 Å²	148.3	81%	0.806	81%	0.81	S	S	*	*			trans	49.9	69.5	138.2	-161.7	88.4	0	0	0	119.2
8	V	37.7	Very low	37.1	Very low	153 Å²	153	144.1 Å²	144.1	93%	0.927	81%	0.806	S	S	*	*			trans	-136.8	105.6	146.4	-176.1	0	0	0	0	108.3
9	G	36	Very low	37.1	Very low	71 Å²	71	143.1 Å²	143.1	73%	0.732	81%	0.808	S	S	*	*			trans	160.8	8.6	-178.7	0	0	0	0	0	117.9
10	F	40.9	Very low	36.6	Very low	182 Å²	182	139.9 Å²	139.9	80%	0.798	81%	0.809	S	S	*	*	S	Bend	trans	-106.8	26	-169.7	-143.9	-92.7	0	0	0	114.7
11	L	38.1	Very low	36.7	Very low	164 Å²	164	139.5 Å²	139.5	86%	0.859	81%	0.808	S	S	*	*	S	Bend	trans	-146.4	20.1	-172.2	-111.4	171.4	0	0	0	116.3
12	I	38.9	Very low	36.6	Very low	154 Å²	154	132.4 Å²	132.4	79%	0.79	79%	0.793	S	S	*	*			trans	-132.6	62.6	169.5	-46.5	-179.5	0	0	0	109.4
13	T	43.9	Very low	36.6	Very low	116 Å²	116	128 Å²	128	71%	0.712	78%	0.784	S	S	*	*			trans	-131.6	23.2	-177.7	40.2	0	0	0	0	113.4
14	L	40.6	Very low	36.7	Very low	157 Å²	157	127.8 Å²	127.8	82%	0.822	79%	0.786	S	S	*	*	S	Bend	trans	-135.4	149.6	161	-84.3	99.6	0	0	0	110.5
15	C	35.8	Very low	35.9	Very low	104 Å²	104	128.2 Å²	128.2	70%	0.703	79%	0.791	S	S	*	*			trans	60.4	67.6	172.4	-67.9	0	0	0	0	117.6
16	H	30.4	Very low	36.1	Very low	192 Å²	192	129.9 Å²	129.9	89%	0.889	80%	0.796	S	S	*	*			trans	-125.7	92.8	134.8	-94.6	-69.9	0	0	0	110.2
17	L	39.2	Very low	36.7	Very low	164 Å²	164	129.8 Å²	129.8	86%	0.859	80%	0.8	S	S	*	*			trans	-76.5	138.8	158.6	-77.2	73.5	0	0	0	107.9
18	G	32.4	Very low	37.9	Very low	72 Å²	72	130 Å²	130	74%	0.742	80%	0.801	S	S	*	*			trans	148.9	98.3	168.7	0	0	0	0	0	115.2
19	C	36.7	Very low	40.1	Very low	125 Å²	125	123.8 Å²	123.8	85%	0.845	77%	0.765	S	S	*	*			trans	42	73.9	158.2	-63.7	0	0	0	0	118.3
20	G	28	Very low	42.5	Very low	80 Å²	80	122 Å²	122	83%	0.825	75%	0.747	S	S	*	*			trans	-102.4	80.4	148.3	0	0	0	0	0	109.6	G22	G20-G22 VanDerWaalsContact C-N 3.31Å; G20-G22 PolarHBondContact O-N 3.01Å
21	V	38.7	Very low	44.8	Very low	131 Å²	131	115.2 Å²	115.2	79%	0.794	73%	0.728	S	S	*	*			trans	-76.7	84	-178.6	-177.6	0	0	0	0	109.9	G23	V21-G23 PolarHBondContact O-N 3.02Å
22	G	32.3	Very low	47.4	Very low	75 Å²	75	112.4 Å²	112.4	77%	0.773	72%	0.717	S	S	*	*			trans	-72.8	79.5	160	0	0	0	0	0	109.3	G20 Q24	G20-G22 VanDerWaalsContact C-N 3.31Å; G20-G22 PolarHBondContact O-N 3.01Å; G22-Q24 PolarHBondContact O-N 3.2Å
23	G	30.7	Very low	49.9	Very low	63 Å²	63	107.3 Å²	107.3	65%	0.649	69%	0.691	S	S	*	*			trans	-66.9	101.5	176.5	0	0	0	0	0	110.4	V21 S25	V21-G23 PolarHBondContact O-N 3.02Å; G23-S25 PolarHBondContact O-N 2.86Å
24	Q	32.2	Very low	52.1	Low	196 Å²	196	106 Å²	106	92%	0.916	68%	0.68	S	S	*	*			trans	-79.4	95.9	171.9	-164.5	166.3	7.1	0	0	107.8	G22	G22-Q24 PolarHBondContact O-N 3.2Å
25	S	34.9	Very low	54.4	Low	102 Å²	102	98.6 Å²	98.6	71%	0.713	64%	0.642	S	S	*	*			trans	-65.2	136.1	179.5	52	0	0	0	0	111.6	G23	G23-S25 PolarHBondContact O-N 2.86Å
26	D	38.7	Very low	56.7	Low	153 Å²	153	96.5 Å²	96.5	82%	0.818	63%	0.628	S	S	*	*			trans	21	107.9	168.8	-61	-38	0	0	0	117.7	D28	D26-D28 VanDerWaalsContact C-N 3.26Å; D26-D28 PolarHBondContact O-N 2.69Å
27	S	47	Very low	59.2	Low	118 Å²	118	94.9 Å²	94.9	83%	0.825	62%	0.618	S	S	*	*			trans	-73.3	83.9	158.3	57.7	0	0	0	0	109.4	C29	S27-C29 PolarHBondContact O-N 3.06Å
28	D	62.8	Low	61.6	Low	157 Å²	157	90.6 Å²	90.6	84%	0.84	60%	0.6	S	S	*	*			trans	-52.4	122.9	177.4	-166.8	12.5	0	0	0	110.7	D26	D26-D28 VanDerWaalsContact C-N 3.26Å; D26-D28 PolarHBondContact O-N 2.69Å
29	C	83.9	Confident	64.4	Low	24 Å²	24	87.8 Å²	87.8	16%	0.162	57%	0.571	C	S	.	*			trans	-96.5	104.9	-167.1	63.7	0	0	0	0	111.3	S27 P44 C56 H57	S27-C29 PolarHBondContact O-N 3.06Å; C29-P44 HydrophobicContact CB-CG 3.9Å; C29-C56 HydrophobicContact CB-CB 3.79Å; C29-C56 WeakPolarHBondContact CB-SG 3.31Å; C29-C56 WeakPolarHBondContact O-CA 3.28Å; C29-C56 WeakPolarHBondContact O-CB 3.18Å; C29-C56 WeakPolarHBondContact SG-CA 3.49Å; C29-C56 WeakPolarHBondContact SG-CB 3.43Å; C29-C56 CovalentContact SG-SG 2.04Å; C29-C56 PolarHBondContact SG-SG 3.48Å; C29-H57 PolarHBondContact O-N 3.16Å
30	G	85.9	Confident	67.1	Low	34 Å²	34	89.3 Å²	89.3	35%	0.351	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	160.1	-157.6	-177.5	0	0	0	0	0	113.4	H57 W58	G30-H57 CarbonylContact C-O 3.59Å; G30-H57 WeakPolarHBondContact CA-O 3.35Å; G30-W58 VanDerWaalsContact C-CD1 3.49Å
31	G	90.1	Very high	70.3	Confident	39 Å²	39	85.8 Å²	85.8	40%	0.402	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.8	170	169.1	0	0	0	0	0	114.3	H57 W58 V59	G31-H57 PolarHBondContact N-O 3.21Å; G31-W58 WeakPolarHBondContact O-CA 3.38Å; G31-V59 PolarHBondContact O-N 2.8Å
32	V	91.5	Very high	72.9	Confident	105 Å²	105	82.2 Å²	82.2	64%	0.636	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.4	170.4	-173.6	0	0	0	0	108.8	V59	V32-V59 CarbonylContact C-O 3.49Å; V32-V59 WeakPolarHBondContact CA-O 3.45Å; V32-V59 HydrophobicContact CG1-CG1 4.48Å; V32-V59 HydrophobicContact CG2-CB 4.43Å
33	L	92.3	Very high	75.8	Confident	47 Å²	47	78.7 Å²	78.7	25%	0.246	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133	-173.7	-63	173.4	0	0	0	110.4	I41 V59 I60 Q61 Y140	L33-I41 HydrophobicContact CD1-CD1 3.64Å; L33-I41 HydrophobicContact CD1-CG1 3.71Å; L33-V59 PolarHBondContact N-O 3.2Å; L33-I60 HydrophobicContact CB-CG1 4.4Å; L33-I60 CarbonylContact O-C 3.58Å; L33-I60 WeakPolarHBondContact O-CA 3.47Å; L33-Q61 PolarHBondContact O-N 3.08Å; L33-Y140 HydrophobicContact CD1-CE1 3.96Å
34	D	90.3	Very high	78.8	Confident	89 Å²	89	77 Å²	77	48%	0.476	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.5	176.9	172.2	21	0	0	0	110.8	S36	D34-S36 VanDerWaalsContact C-N 3.33Å; D34-S36 WeakPolarHBondContact OD1-CB 3.27Å; D34-S36 PolarHBondContact OD1-N 2.95Å; D34-S36 PolarHBondContact OD1-OG 2.65Å; D34-S36 VanDerWaalsContact OD2-CB 3.3Å; D34-S36 WeakPolarHBondContact OD2-CB 3.3Å; D34-S36 PolarHBondContact OD2-OG 3.49Å
35	A	88.9	Confident	81.4	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.008	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.5	178.4	0	0	0	0	0	114.2	K37 I60 Q61 I69 Y140 I142	A35-K37 PolarHBondContact O-N 2.66Å; A35-I60 HydrophobicContact CB-CG2 3.9Å; A35-Q61 WeakPolarHBondContact CB-O 3.49Å; A35-Q61 PolarHBondContact N-O 3.35Å; A35-I69 HydrophobicContact CB-CG1 4.33Å; A35-Y140 HydrophobicContact CB-CD2 4.46Å; A35-I142 HydrophobicContact CB-CG1 3.95Å; A35-I142 VanDerWaalsContact O-CD1 3.29Å; A35-I142 WeakPolarHBondContact O-CD1 3.28Å; A35-I142 WeakPolarHBondContact O-CG1 3.03Å
36	S	83.1	Confident	84	Confident	60 Å²	60	67.3 Å²	67.3	42%	0.42	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.6	177.4	75.1	0	0	0	0	114	D34	D34-S36 VanDerWaalsContact C-N 3.33Å; D34-S36 WeakPolarHBondContact OD1-CB 3.27Å; D34-S36 PolarHBondContact OD1-N 2.95Å; D34-S36 PolarHBondContact OD1-OG 2.65Å; D34-S36 VanDerWaalsContact OD2-CB 3.3Å; D34-S36 WeakPolarHBondContact OD2-CB 3.3Å; D34-S36 PolarHBondContact OD2-OG 3.49Å
37	K	83.9	Confident	86.5	Confident	158 Å²	158	63.8 Å²	63.8	69%	0.687	38%	0.383	S	S	*	.	S	Bend	trans	-130.2	146.6	166.5	-65.9	176.6	-174	169.9	0	109.9	A35 G39	A35-K37 PolarHBondContact O-N 2.66Å; K37-G39 PolarHBondContact O-N 2.98Å
38	P	88.6	Confident	88.6	Confident	74 Å²	74	64.4 Å²	64.4	48%	0.481	38%	0.376	S	S	.	.			trans	-62.9	132.2	175	26.9	-35	0	0	0	110.8	Y140 E141	P38-Y140 CarbonylContact C-O 3.56Å; P38-Y140 VanDerWaalsContact CA-O 3.27Å; P38-Y140 WeakPolarHBondContact CA-O 3.4Å; P38-E141 HydrophobicContact CB-CB 3.9Å
39	G	91.6	Very high	89.9	Confident	12 Å²	12	63.6 Å²	63.6	12%	0.124	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-177.7	-179.3	0	0	0	0	0	112.8	K37 R139 Y140	K37-G39 PolarHBondContact O-N 2.98Å; G39-R139 CarbonylContact O-C 3.49Å; G39-R139 VanDerWaalsContact O-CA 3.31Å; G39-R139 WeakPolarHBondContact O-CA 3.09Å; G39-R139 WeakPolarHBondContact O-CG 3.21Å; G39-Y140 VanDerWaalsContact C-CE1 3.42Å; G39-Y140 PolarHBondContact N-O 2.75Å; G39-Y140 PolarHBondContact O-N 3.47Å
40	Y	93.6	Very high	90.3	Very high	158 Å²	158	62.5 Å²	62.5	62%	0.62	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.6	179.7	-67.6	-92	0	0	0	110.9	L138 R139	Y40-L138 CarbonylContact C-O 3.59Å; Y40-L138 VanDerWaalsContact CA-O 3.26Å; Y40-L138 WeakPolarHBondContact CA-O 3.18Å; Y40-R139 HydrophobicContact CD1-CB 3.81Å; Y40-R139 HydrophobicContact CD1-CG 4.13Å; Y40-R139 HydrophobicContact CE1-CB 3.63Å; Y40-R139 HydrophobicContact CE1-CG 3.77Å; Y40-R139 HydrophobicContact CE2-CG 4.42Å
41	I	95.1	Very high	90.6	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.8	168.3	-60.6	172	0	0	0	107.5	L33 W58 I60 I123 F136 S137 L138 Y140	L33-I41 HydrophobicContact CD1-CD1 3.64Å; L33-I41 HydrophobicContact CD1-CG1 3.71Å; I41-W58 HydrophobicContact CD1-CB 3.91Å; I41-W58 HydrophobicContact CD1-CD2 4.49Å; I41-W58 HydrophobicContact CD1-CG 3.96Å; I41-W58 HydrophobicContact CG2-CD2 3.62Å; I41-W58 HydrophobicContact CG2-CE3 3.93Å; I41-W58 HydrophobicContact CG2-CG 4.1Å; I41-W58 HydrophobicContact CG2-CH2 4.08Å; I41-W58 HydrophobicContact CG2-CZ2 3.81Å; I41-W58 HydrophobicContact CG2-CZ3 4.15Å; I41-I60 HydrophobicContact CD1-CD1 3.79Å; I41-I60 HydrophobicContact CD1-CG1 4Å; I41-I123 HydrophobicContact CD1-CD1 3.95Å; I41-F136 HydrophobicContact CG2-CE2 4.06Å; I41-F136 HydrophobicContact CG2-CZ 4.34Å; I41-S137 WeakPolarHBondContact O-CA 3.39Å; I41-L138 HydrophobicContact CB-CD1 4.12Å; I41-L138 HydrophobicContact CB-CG 4.09Å; I41-L138 HydrophobicContact CD1-CD1 4.35Å; I41-L138 HydrophobicContact CG1-CD1 4.46Å; I41-L138 PolarHBondContact N-O 3.21Å; I41-L138 PolarHBondContact O-N 3.15Å; I41-Y140 HydrophobicContact CD1-CD1 4.1Å; I41-Y140 HydrophobicContact CD1-CE1 4.3Å; I41-Y140 HydrophobicContact CG1-CD1 3.95Å; I41-Y140 HydrophobicContact CG1-CE1 3.91Å
42	T	94.1	Very high	90.5	Very high	56 Å²	56	64.1 Å²	64.1	34%	0.344	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.3	172.5	70.2	0	0	0	0	110.7	Y46 F136	T42-Y46 HydrophobicContact CG2-CD1 3.99Å; T42-Y46 HydrophobicContact CG2-CG 4.3Å; T42-F136 CarbonylContact C-O 3.58Å; T42-F136 WeakPolarHBondContact CA-O 3.49Å; T42-F136 WeakPolarHBondContact CB-O 3.47Å
43	S	93.6	Very high	90.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.358	C	S	.	.			trans	-59.6	150.5	158.7	47.9	0	0	0	0	110.3	G45 Y46 G135 F136	S43-G45 PolarHBondContact O-N 3.38Å; S43-Y46 WeakPolarHBondContact O-CB 3.27Å; S43-Y46 PolarHBondContact O-N 2.89Å; S43-G135 WeakPolarHBondContact OG-CA 3.5Å; S43-F136 PolarHBondContact N-O 3.18Å; S43-F136 PolarHBondContact OG-N 3.37Å
44	P	92.5	Very high	90.3	Very high	29 Å²	29	65.8 Å²	65.8	19%	0.188	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	134.9	173.1	-21.5	32.7	0	0	0	110.3	C29 Y46 Y50 P51	C29-P44 HydrophobicContact CB-CG 3.9Å; P44-Y46 PolarHBondContact O-N 2.8Å; P44-Y50 WeakPolarHBondContact O-CA 3.2Å; P44-P51 HydrophobicContact CB-CG 4.31Å; P44-P51 WeakPolarHBondContact O-CD 3.29Å
45	G	86.4	Confident	90.4	Very high	50 Å²	50	65.3 Å²	65.3	52%	0.515	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-15	179.5	0	0	0	0	0	116.6	S43 L48	S43-G45 PolarHBondContact O-N 3.38Å; G45-L48 WeakPolarHBondContact O-CA 3.23Å; G45-L48 VanDerWaalsContact O-CB 3.29Å; G45-L48 WeakPolarHBondContact O-CB 3.41Å; G45-L48 PolarHBondContact O-N 2.67Å
46	Y	91.1	Very high	90.6	Very high	43 Å²	43	65.2 Å²	65.2	17%	0.169	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	134.4	-177.2	-179.5	-85.4	0	0	0	113	T42 S43 P44 N74 H76 A134 F136 S137	T42-Y46 HydrophobicContact CG2-CD1 3.99Å; T42-Y46 HydrophobicContact CG2-CG 4.3Å; S43-Y46 WeakPolarHBondContact O-CB 3.27Å; S43-Y46 PolarHBondContact O-N 2.89Å; P44-Y46 PolarHBondContact O-N 2.8Å; Y46-N74 PolarHBondContact OH-ND2 3.09Å; Y46-H76 PolarHBondContact OH-CD2 3.22Å; Y46-H76 PolarHBondContact OH-O 3.17Å; Y46-A134 WeakPolarHBondContact CD2-O 3.38Å; Y46-F136 VanDerWaalsContact CD2-C 3.41Å; Y46-F136 VanDerWaalsContact CD2-O 3.28Å; Y46-F136 WeakPolarHBondContact CD2-O 3.06Å; Y46-S137 VanDerWaalsContact CE1-CB 3.49Å; Y46-S137 VanDerWaalsContact CZ-CB 3.47Å
47	P	91.2	Very high	91	Very high	79 Å²	79	65.5 Å²	65.5	51%	0.513	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.3	19.8	6.6	38.3	-37.8	0	0	0	114.3
48	L	90.7	Very high	91.5	Very high	131 Å²	131	59 Å²	59	69%	0.686	32%	0.319	S	S	*	.	S	Bend	trans	-82.7	166.2	167.9	-54.4	176.2	0	0	0	110.2	G45 Y50	G45-L48 WeakPolarHBondContact O-CA 3.23Å; G45-L48 VanDerWaalsContact O-CB 3.29Å; G45-L48 WeakPolarHBondContact O-CB 3.41Å; G45-L48 PolarHBondContact O-N 2.67Å; L48-Y50 PolarHBondContact O-N 2.92Å
49	E	89.4	Confident	91.8	Very high	141 Å²	141	56.8 Å²	56.8	66%	0.659	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-51.6	126.7	176.5	-73.5	169.1	-157.5	0	0	111.9	Q132 G133	E49-Q132 HydrophobicContact CB-CB 4.13Å; E49-Q132 HydrophobicContact CG-CB 4.47Å; E49-G133 VanDerWaalsContact CA-O 3.31Å; E49-G133 WeakPolarHBondContact CA-O 3.37Å
50	Y	92.9	Very high	91.9	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-68.9	150.1	177.5	54.2	-103	0	0	0	111.4	P44 L48 I79 E80 D87 F125 Q132 G133 G135	P44-Y50 WeakPolarHBondContact O-CA 3.2Å; L48-Y50 PolarHBondContact O-N 2.92Å; Y50-I79 HydrophobicContact CE1-CG1 4.31Å; Y50-E80 PolarHBondContact OH-N 2.85Å; Y50-D87 WeakPolarHBondContact CE2-OD2 3.26Å; Y50-D87 VanDerWaalsContact CZ-OD2 3.22Å; Y50-D87 PolarHBondContact OH-OD2 3.25Å; Y50-F125 AromaticContact CD1-CZ 3.99Å; Y50-F125 HydrophobicContact CD1-CZ 3.99Å; Y50-F125 HydrophobicContact CD2-CE1 4.28Å; Y50-F125 AromaticContact CD2-CZ 3.72Å; Y50-F125 HydrophobicContact CD2-CZ 3.72Å; Y50-F125 HydrophobicContact CE1-CZ 4.23Å; Y50-F125 AromaticContact CE2-CZ 3.99Å; Y50-F125 HydrophobicContact CE2-CZ 3.99Å; Y50-F125 HydrophobicContact CG-CE1 4.24Å; Y50-F125 AromaticContact CG-CZ 3.73Å; Y50-F125 HydrophobicContact CG-CZ 3.73Å; Y50-Q132 HydrophobicContact CD2-CB 4.39Å; Y50-Q132 HydrophobicContact CD2-CG 4.21Å; Y50-Q132 HydrophobicContact CE2-CB 4.25Å; Y50-Q132 HydrophobicContact CE2-CG 4.22Å; Y50-Q132 WeakPolarHBondContact O-CB 3.17Å; Y50-Q132 WeakPolarHBondContact O-CG 3.23Å; Y50-G133 WeakPolarHBondContact CD1-O 3.39Å; Y50-G133 VanDerWaalsContact CE1-O 3.24Å; Y50-G133 WeakPolarHBondContact CE1-O 3.45Å; Y50-G133 PolarHBondContact N-O 2.76Å; Y50-G135 VanDerWaalsContact CD1-CA 3.5Å
51	P	90.9	Very high	91.8	Very high	49 Å²	49	53.4 Å²	53.4	32%	0.318	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.8	158	180	-20.1	32	0	0	0	113.4	P44 Q54 S127	P44-P51 HydrophobicContact CB-CG 4.31Å; P44-P51 WeakPolarHBondContact O-CD 3.29Å; P51-Q54 HydrophobicContact CB-CG 4.01Å; P51-Q54 HydrophobicContact CG-CG 4.42Å; P51-Q54 WeakPolarHBondContact O-CG 3.32Å; P51-S127 PolarHBondContact O-OG 2.92Å
52	P	89.9	Confident	91.5	Very high	58 Å²	58	53.2 Å²	53.2	38%	0.377	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	164.3	164.6	27.8	-34.3	0	0	0	112.5	Q54 D128	P52-Q54 PolarHBondContact O-N 3.2Å; P52-Q54 PolarHBondContact O-NE2 2.75Å; P52-D128 CarbonylContact C-O 3.49Å; P52-D128 WeakPolarHBondContact CA-O 3.47Å; P52-D128 WeakPolarHBondContact CB-O 3.49Å
53	H	88.8	Confident	90.9	Very high	141 Å²	141	54.1 Å²	54.1	65%	0.653	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	29.5	172	-66.3	-48.5	0	0	0	115.7	S127 D128	H53-S127 VanDerWaalsContact CA-O 3.26Å; H53-S127 WeakPolarHBondContact CA-O 3.4Å; H53-S127 PolarHBondContact N-O 2.89Å; H53-S127 PolarHBondContact N-OG 2.86Å; H53-D128 PolarHBondContact N-O 3.06Å
54	Q	89.3	Confident	89.9	Confident	45 Å²	45	59.5 Å²	59.5	21%	0.21	32%	0.322	C	S	.	.			trans	-80.3	148.9	175.9	-56.2	-57.8	-78	0	0	110.8	P51 P52 F125 V126 S127	P51-Q54 HydrophobicContact CB-CG 4.01Å; P51-Q54 HydrophobicContact CG-CG 4.42Å; P51-Q54 WeakPolarHBondContact O-CG 3.32Å; P52-Q54 PolarHBondContact O-N 3.2Å; P52-Q54 PolarHBondContact O-NE2 2.75Å; Q54-F125 HydrophobicContact CB-CD1 4.35Å; Q54-F125 HydrophobicContact CB-CE1 4.16Å; Q54-V126 CarbonylContact O-C 3.58Å; Q54-V126 WeakPolarHBondContact O-CA 3.49Å; Q54-S127 WeakPolarHBondContact CB-OG 3.04Å; Q54-S127 PolarHBondContact N-OG 3.15Å; Q54-S127 PolarHBondContact O-N 2.8Å
55	N	92.3	Very high	89	Confident	79 Å²	79	64.4 Å²	64.4	42%	0.422	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	67.5	175.4	177	53.2	0	0	0	107.3	H57 R124 F125	N55-H57 PolarHBondContact ND2-NE2 3.15Å; N55-H57 VanDerWaalsContact ND2-NE2 3.18Å; N55-H57 PolarHBondContact O-CD2 3.43Å; N55-H57 PolarHBondContact O-NE2 3.35Å; N55-H57 PolarHBondContact OD1-NE2 2.83Å; N55-R124 PolarHBondContact OD1-NE 2.9Å; N55-R124 VanDerWaalsContact OD1-NE 3.11Å; N55-R124 PolarHBondContact OD1-NH2 2.92Å; N55-F125 CarbonylContact C-O 3.43Å; N55-F125 VanDerWaalsContact CA-O 3.29Å; N55-F125 WeakPolarHBondContact CA-O 3.5Å
56	C	93.3	Very high	88	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.1	-171.2	-49.4	0	0	0	0	111.4	C29 W58 R124 F125	C29-C56 HydrophobicContact CB-CB 3.79Å; C29-C56 WeakPolarHBondContact CB-SG 3.31Å; C29-C56 WeakPolarHBondContact O-CA 3.28Å; C29-C56 WeakPolarHBondContact O-CB 3.18Å; C29-C56 WeakPolarHBondContact SG-CA 3.49Å; C29-C56 WeakPolarHBondContact SG-CB 3.43Å; C29-C56 CovalentContact SG-SG 2.04Å; C29-C56 PolarHBondContact SG-SG 3.48Å; C56-W58 HydrophobicContact CB-CE3 4.33Å; C56-W58 HydrophobicContact CB-CH2 3.36Å; C56-W58 HydrophobicContact CB-CZ2 3.93Å; C56-W58 HydrophobicContact CB-CZ3 3.59Å; C56-R124 CarbonylContact O-C 3.4Å; C56-R124 WeakPolarHBondContact O-CA 3.33Å; C56-F125 HydrophobicContact CB-CB 4.32Å; C56-F125 PolarHBondContact N-O 3.34Å; C56-F125 PolarHBondContact O-N 3.47Å
57	H	92.3	Very high	87.2	Confident	65 Å²	65	64.3 Å²	64.3	30%	0.301	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.9	-177.8	-59.6	-99.7	0	0	0	111.5	C29 G30 G31 N55 R124	C29-H57 PolarHBondContact O-N 3.16Å; G30-H57 CarbonylContact C-O 3.59Å; G30-H57 WeakPolarHBondContact CA-O 3.35Å; G31-H57 PolarHBondContact N-O 3.21Å; N55-H57 PolarHBondContact ND2-NE2 3.15Å; N55-H57 VanDerWaalsContact ND2-NE2 3.18Å; N55-H57 PolarHBondContact O-CD2 3.43Å; N55-H57 PolarHBondContact O-NE2 3.35Å; N55-H57 PolarHBondContact OD1-NE2 2.83Å; H57-R124 PolarHBondContact CE1-NE 3.04Å
58	W	94.3	Very high	86.9	Confident	21 Å²	21	66 Å²	66	8%	0.08	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.3	171.5	-58.2	-88.4	0	0	0	110.7	G30 G31 I41 C56 Q122 I123 F125 F136	G30-W58 VanDerWaalsContact C-CD1 3.49Å; G31-W58 WeakPolarHBondContact O-CA 3.38Å; I41-W58 HydrophobicContact CD1-CB 3.91Å; I41-W58 HydrophobicContact CD1-CD2 4.49Å; I41-W58 HydrophobicContact CD1-CG 3.96Å; I41-W58 HydrophobicContact CG2-CD2 3.62Å; I41-W58 HydrophobicContact CG2-CE3 3.93Å; I41-W58 HydrophobicContact CG2-CG 4.1Å; I41-W58 HydrophobicContact CG2-CH2 4.08Å; I41-W58 HydrophobicContact CG2-CZ2 3.81Å; I41-W58 HydrophobicContact CG2-CZ3 4.15Å; C56-W58 HydrophobicContact CB-CE3 4.33Å; C56-W58 HydrophobicContact CB-CH2 3.36Å; C56-W58 HydrophobicContact CB-CZ2 3.93Å; C56-W58 HydrophobicContact CB-CZ3 3.59Å; W58-Q122 WeakPolarHBondContact O-CA 3.39Å; W58-I123 HydrophobicContact CB-CB 4.46Å; W58-I123 HydrophobicContact CE3-CB 4.43Å; W58-I123 HydrophobicContact CE3-CG2 4.12Å; W58-I123 PolarHBondContact N-O 2.85Å; W58-I123 PolarHBondContact O-N 3.04Å; W58-F125 HydrophobicContact CH2-CB 4.32Å; W58-F125 HydrophobicContact CZ3-CB 3.85Å; W58-F136 HydrophobicContact CH2-CZ 4.04Å; W58-F136 AromaticContact CZ3-CZ 3.92Å; W58-F136 HydrophobicContact CZ3-CZ 3.92Å
59	V	94.1	Very high	86.9	Confident	29 Å²	29	59.7 Å²	59.7	18%	0.176	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.8	167.7	169.4	0	0	0	0	107	G31 V32 L33 T95 L120 Q122	G31-V59 PolarHBondContact O-N 2.8Å; V32-V59 CarbonylContact C-O 3.49Å; V32-V59 WeakPolarHBondContact CA-O 3.45Å; V32-V59 HydrophobicContact CG1-CG1 4.48Å; V32-V59 HydrophobicContact CG2-CB 4.43Å; L33-V59 PolarHBondContact N-O 3.2Å; V59-T95 HydrophobicContact CB-CG2 4.36Å; V59-T95 HydrophobicContact CG1-CG2 3.43Å; V59-T95 VanDerWaalsContact CG1-CG2 3.43Å; V59-T95 HydrophobicContact CG2-CG2 3.96Å; V59-L120 HydrophobicContact CG1-CD2 4.18Å; V59-Q122 HydrophobicContact CG2-CB 4.49Å; V59-Q122 HydrophobicContact CG2-CG 4.37Å
60	I	93.9	Very high	87	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.5	172.5	-52.2	157.8	0	0	0	107.6	L33 A35 I41 I69 L71 L120 I121 I123 Y140	L33-I60 HydrophobicContact CB-CG1 4.4Å; L33-I60 CarbonylContact O-C 3.58Å; L33-I60 WeakPolarHBondContact O-CA 3.47Å; A35-I60 HydrophobicContact CB-CG2 3.9Å; I41-I60 HydrophobicContact CD1-CD1 3.79Å; I41-I60 HydrophobicContact CD1-CG1 4Å; I60-I69 HydrophobicContact CB-CD1 4.22Å; I60-I69 HydrophobicContact CG2-CD1 3.94Å; I60-I69 HydrophobicContact CG2-CG2 4.14Å; I60-I69 WeakPolarHBondContact O-CD1 3.24Å; I60-L71 HydrophobicContact CD1-CD2 3.57Å; I60-L120 WeakPolarHBondContact O-CA 3.4Å; I60-I121 HydrophobicContact CB-CG2 3.86Å; I60-I121 HydrophobicContact CD1-CG2 4.05Å; I60-I121 HydrophobicContact CG1-CG2 4.44Å; I60-I121 PolarHBondContact N-O 2.98Å; I60-I121 PolarHBondContact O-N 3.08Å; I60-I121 VanDerWaalsContact O-N 3.08Å; I60-I123 HydrophobicContact CD1-CD1 3.65Å; I60-Y140 HydrophobicContact CD1-CD1 4.02Å; I60-Y140 HydrophobicContact CD1-CD2 4.42Å; I60-Y140 HydrophobicContact CD1-CG 3.8Å; I60-Y140 HydrophobicContact CG1-CD1 4.43Å; I60-Y140 HydrophobicContact CG1-CG 4.3Å; I60-Y140 HydrophobicContact CG2-CD2 3.67Å; I60-Y140 HydrophobicContact CG2-CE2 4.06Å; I60-Y140 HydrophobicContact CG2-CG 4.16Å
61	Q	92.6	Very high	87.1	Confident	98 Å²	98	53.6 Å²	53.6	46%	0.458	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.5	-177.4	176.2	170.5	-1.4	0	0	110.9	L33 A35 L120	L33-Q61 PolarHBondContact O-N 3.08Å; A35-Q61 WeakPolarHBondContact CB-O 3.49Å; A35-Q61 PolarHBondContact N-O 3.35Å; Q61-L120 HydrophobicContact CB-CD2 3.7Å; Q61-L120 HydrophobicContact CG-CD2 3.77Å
62	A	87.6	Confident	87.1	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.025	28%	0.28	C	S	.	.			trans	-80.4	147.6	167.1	0	0	0	0	0	110.8	E64 Q67 I69 P119	A62-E64 VanDerWaalsContact C-N 3.29Å; A62-E64 PolarHBondContact O-N 2.79Å; A62-Q67 HydrophobicContact CB-CB 3.88Å; A62-I69 HydrophobicContact CB-CD1 4.43Å; A62-I69 HydrophobicContact CB-CG1 4.26Å; A62-P119 HydrophobicContact CB-CB 4.02Å; A62-P119 PolarHBondContact N-O 2.86Å
63	P	82.1	Confident	87.2	Confident	74 Å²	74	52.2 Å²	52.2	48%	0.481	27%	0.267	S	S	.	.	S	Bend	trans	-71.5	-20.3	-178.5	28.6	-36.4	0	0	0	114.1	I142	P63-I142 HydrophobicContact CG-CD1 4.25Å
64	E	72.5	Confident	87.2	Confident	114 Å²	114	48.4 Å²	48.4	53%	0.533	25%	0.251	S	S	.	.	S	Bend	trans	-125.4	150.5	-179.7	-67.4	168.5	-169.5	0	0	110.3	A62 Q67 P119	A62-E64 VanDerWaalsContact C-N 3.29Å; A62-E64 PolarHBondContact O-N 2.79Å; E64-Q67 HydrophobicContact CB-CG 3.94Å; E64-Q67 PolarHBondContact O-N 2.87Å; E64-Q67 PolarHBondContact OE2-NE2 2.74Å; E64-P119 WeakPolarHBondContact O-CB 3.42Å
65	T	73.1	Confident	87.1	Confident	131 Å²	131	51.7 Å²	51.7	80%	0.804	28%	0.276	S	S	*	.	S	Bend	trans	-80	-16.5	-170.6	47.5	0	0	0	0	115.5
66	S	65	Low	87	Confident	55 Å²	55	52.2 Å²	52.2	39%	0.385	28%	0.276	S	S	.	.	S	Bend	trans	-85.6	-22.6	172.5	69	0	0	0	0	113	E148	S66-E148 WeakPolarHBondContact CB-OE1 3.44Å; S66-E148 WeakPolarHBondContact CB-OE2 3.5Å; S66-E148 PolarHBondContact OG-OE2 2.86Å
67	Q	74.9	Confident	87	Confident	37 Å²	37	52.5 Å²	52.5	17%	0.173	28%	0.277	C	S	.	.			trans	-67.8	143.1	-178.6	-68.3	-179.5	11.9	0	0	111.5	A62 E64 P119 I142	A62-Q67 HydrophobicContact CB-CB 3.88Å; E64-Q67 HydrophobicContact CB-CG 3.94Å; E64-Q67 PolarHBondContact O-N 2.87Å; E64-Q67 PolarHBondContact OE2-NE2 2.74Å; Q67-P119 WeakPolarHBondContact O-CA 3.44Å; Q67-P119 WeakPolarHBondContact O-CB 3.39Å; Q67-I142 HydrophobicContact CB-CG2 4.12Å; Q67-I142 HydrophobicContact CG-CG2 4.2Å; Q67-I142 VanDerWaalsContact OE1-CD1 3.23Å
68	R	85.6	Confident	86.9	Confident	113 Å²	113	53 Å²	53	43%	0.426	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	167.3	174.5	-69.6	172.6	176.2	174.4	5.1	110.4	I115 S116 S117 I142 F143	R68-I115 HydrophobicContact CB-CG2 4.46Å; R68-S116 VanDerWaalsContact CD-O 3.22Å; R68-S116 WeakPolarHBondContact CD-O 3.24Å; R68-S116 VanDerWaalsContact CG-O 3.3Å; R68-S116 WeakPolarHBondContact CG-O 3.34Å; R68-S117 PolarHBondContact NE-O 3.49Å; R68-S117 PolarHBondContact NH2-O 3.44Å; R68-I142 CarbonylContact O-C 3.45Å; R68-I142 WeakPolarHBondContact O-CA 3.47Å; R68-F143 HydrophobicContact CB-CB 4.06Å; R68-F143 HydrophobicContact CB-CD1 4.3Å; R68-F143 PolarHBondContact O-N 2.93Å
69	I	90.1	Very high	86.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.2	-178	-59.7	161.6	0	0	0	108.2	A35 I60 A62 L71 I115 S116 I121	A35-I69 HydrophobicContact CB-CG1 4.33Å; I60-I69 HydrophobicContact CB-CD1 4.22Å; I60-I69 HydrophobicContact CG2-CD1 3.94Å; I60-I69 HydrophobicContact CG2-CG2 4.14Å; I60-I69 WeakPolarHBondContact O-CD1 3.24Å; A62-I69 HydrophobicContact CB-CD1 4.43Å; A62-I69 HydrophobicContact CB-CG1 4.26Å; I69-L71 HydrophobicContact CG2-CD2 4.05Å; I69-I115 WeakPolarHBondContact O-CA 3.48Å; I69-S116 PolarHBondContact N-OG 2.64Å; I69-S116 PolarHBondContact O-N 2.87Å; I69-S116 PolarHBondContact O-OG 3.32Å; I69-I121 HydrophobicContact CB-CG2 4.09Å; I69-I121 HydrophobicContact CD1-CG2 3.81Å; I69-I121 HydrophobicContact CG2-CG2 3.88Å
70	V	92.3	Very high	86.5	Confident	14 Å²	14	52 Å²	52	9%	0.085	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.9	171.2	60.6	0	0	0	0	110.6	I114 I115 Y140 E141 F143	V70-I114 CarbonylContact C-O 3.45Å; V70-I114 WeakPolarHBondContact CA-O 3.45Å; V70-I115 HydrophobicContact CB-CG1 4.2Å; V70-I115 HydrophobicContact CG2-CG1 3.91Å; V70-Y140 WeakPolarHBondContact O-CA 3.3Å; V70-E141 HydrophobicContact CG1-CG 3.76Å; V70-E141 PolarHBondContact N-O 2.75Å; V70-E141 PolarHBondContact O-N 2.89Å; V70-E141 VanDerWaalsContact O-N 3.16Å; V70-F143 HydrophobicContact CB-CB 4.11Å; V70-F143 HydrophobicContact CB-CD2 4.02Å; V70-F143 HydrophobicContact CB-CG 4.46Å; V70-F143 HydrophobicContact CG1-CB 4.23Å; V70-F143 HydrophobicContact CG1-CD2 4.23Å
71	L	94.1	Very high	85.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.2	176.6	-51.5	-177.5	0	0	0	109.4	I60 I69 F73 I91 P113 I114 I121 I123 L138	I60-L71 HydrophobicContact CD1-CD2 3.57Å; I69-L71 HydrophobicContact CG2-CD2 4.05Å; L71-F73 HydrophobicContact CB-CE2 4.49Å; L71-I91 HydrophobicContact CD1-CG1 4.44Å; L71-I91 HydrophobicContact CD1-CG2 3.86Å; L71-P113 WeakPolarHBondContact O-CA 3.23Å; L71-I114 HydrophobicContact CB-CB 4.41Å; L71-I114 PolarHBondContact N-O 2.86Å; L71-I114 PolarHBondContact O-N 3.43Å; L71-I121 HydrophobicContact CD1-CD1 3.61Å; L71-I121 HydrophobicContact CD1-CG1 4.33Å; L71-I121 HydrophobicContact CD2-CG2 4.38Å; L71-I121 HydrophobicContact CG-CD1 4.03Å; L71-I123 HydrophobicContact CD1-CD1 3.67Å; L71-I123 HydrophobicContact CD1-CG1 4.11Å; L71-I123 HydrophobicContact CD2-CD1 4.14Å; L71-L138 HydrophobicContact CD2-CD1 4.19Å
72	N	90.2	Very high	85.1	Confident	53 Å²	53	60.5 Å²	60.5	28%	0.283	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.2	178.8	-72.3	-59.4	0	0	0	109.8	L138 R139	N72-L138 CarbonylContact O-C 3.52Å; N72-L138 WeakPolarHBondContact O-CA 3.27Å; N72-R139 PolarHBondContact N-O 2.91Å; N72-R139 PolarHBondContact O-N 2.93Å
73	F	92.3	Very high	84.6	Confident	24 Å²	24	67.8 Å²	67.8	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.5	-179.5	-74.7	-92.5	0	0	0	112.6	L71 F77 I89 I91 A110 P111 I114 F136 L138	L71-F73 HydrophobicContact CB-CE2 4.49Å; F73-F77 HydrophobicContact CD1-CD2 4.23Å; F73-F77 HydrophobicContact CD1-CE2 4.22Å; F73-F77 HydrophobicContact CE1-CE2 4.31Å; F73-I89 HydrophobicContact CE1-CD1 3.88Å; F73-I89 HydrophobicContact CZ-CD1 4.15Å; F73-I91 HydrophobicContact CZ-CD1 4.12Å; F73-A110 HydrophobicContact CB-CB 4.09Å; F73-P111 HydrophobicContact CD1-CG 4.21Å; F73-P111 HydrophobicContact CD2-CB 3.75Å; F73-P111 HydrophobicContact CD2-CG 3.91Å; F73-P111 HydrophobicContact CE1-CG 4.2Å; F73-P111 HydrophobicContact CE2-CB 3.89Å; F73-P111 HydrophobicContact CE2-CG 3.91Å; F73-P111 HydrophobicContact CG-CB 4.28Å; F73-P111 HydrophobicContact CG-CG 4.08Å; F73-P111 HydrophobicContact CZ-CG 4.06Å; F73-I114 HydrophobicContact CE2-CD1 4.16Å; F73-F136 HydrophobicContact CE1-CD2 4.47Å; F73-L138 HydrophobicContact CD1-CB 3.82Å; F73-L138 HydrophobicContact CD1-CD2 4.29Å; F73-L138 HydrophobicContact CE1-CB 3.97Å; F73-L138 HydrophobicContact CE1-CD2 3.57Å; F73-L138 HydrophobicContact CE1-CG 4.42Å; F73-L138 HydrophobicContact CG-CB 4.17Å; F73-L138 HydrophobicContact CZ-CB 4.42Å; F73-L138 HydrophobicContact CZ-CD2 3.74Å
74	N	89.1	Confident	84.7	Confident	62 Å²	62	65.4 Å²	65.4	33%	0.332	33%	0.332	S	S	.	.			trans	-72.7	131.3	169.3	-168.9	-33.1	0	0	0	109.3	Y46 H76 A110 S137	Y46-N74 PolarHBondContact OH-ND2 3.09Å; N74-H76 CarbonylContact O-C 3.58Å; N74-H76 PolarHBondContact O-N 3Å; N74-H76 VanDerWaalsContact O-N 3.09Å; N74-H76 PolarHBondContact OD1-N 2.69Å; N74-A110 WeakPolarHBondContact O-CB 3.5Å; N74-S137 VanDerWaalsContact CB-O 3.26Å; N74-S137 WeakPolarHBondContact CB-O 3.27Å; N74-S137 PolarHBondContact N-O 3.15Å
75	P	86.6	Confident	85.4	Confident	113 Å²	113	66.4 Å²	66.4	73%	0.734	34%	0.335	S	S	*	.	S	Bend	trans	-57.3	-20.6	174.4	-27.9	36.5	0	0	0	114.8	F77	P75-F77 PolarHBondContact O-N 3.06Å
76	H	90.5	Very high	86	Confident	91 Å²	91	64.4 Å²	64.4	42%	0.421	31%	0.313	S	S	.	.			trans	-79	93.3	166.1	-172.2	35.3	0	0	0	109.7	Y46 N74	Y46-H76 PolarHBondContact OH-CD2 3.22Å; Y46-H76 PolarHBondContact OH-O 3.17Å; N74-H76 CarbonylContact O-C 3.58Å; N74-H76 PolarHBondContact O-N 3Å; N74-H76 VanDerWaalsContact O-N 3.09Å; N74-H76 PolarHBondContact OD1-N 2.69Å
77	F	92.8	Very high	87.3	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.022	30%	0.295	C	S	.	.			trans	-138.7	127.3	-176.8	-179.3	-83.9	0	0	0	109	F73 P75 I79 I89 H105 S107 N108 I109 A110 G135 F136	F73-F77 HydrophobicContact CD1-CD2 4.23Å; F73-F77 HydrophobicContact CD1-CE2 4.22Å; F73-F77 HydrophobicContact CE1-CE2 4.31Å; P75-F77 PolarHBondContact O-N 3.06Å; F77-I79 HydrophobicContact CE1-CD1 4.24Å; F77-I79 HydrophobicContact CE1-CG1 4.36Å; F77-I79 HydrophobicContact CE2-CD1 3.93Å; F77-I79 HydrophobicContact CZ-CD1 3.6Å; F77-I79 HydrophobicContact CZ-CG1 4.19Å; F77-I89 HydrophobicContact CE2-CG2 4.13Å; F77-I89 HydrophobicContact CZ-CG2 4.03Å; F77-H105 HydrophobicContact CZ-CB 4.23Å; F77-S107 VanDerWaalsContact CD1-O 3.25Å; F77-S107 WeakPolarHBondContact CD1-O 3.19Å; F77-S107 WeakPolarHBondContact CE1-O 3.5Å; F77-N108 CarbonylContact O-C 3.57Å; F77-N108 VanDerWaalsContact O-CA 3.32Å; F77-N108 WeakPolarHBondContact O-CA 3.43Å; F77-I109 WeakPolarHBondContact CD1-O 3.23Å; F77-A110 HydrophobicContact CB-CB 3.87Å; F77-A110 HydrophobicContact CG-CB 4.33Å; F77-G135 CarbonylContact C-O 3.6Å; F77-G135 WeakPolarHBondContact CA-O 3.26Å; F77-F136 HydrophobicContact CD2-CB 3.53Å; F77-F136 HydrophobicContact CE2-CB 3.66Å
78	E	91.5	Very high	88.2	Confident	75 Å²	75	61 Å²	61	35%	0.35	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-153.8	104.5	-178.9	-178.9	166.8	-123	0	0	111.3	N108 G133 A134 G135	E78-N108 WeakPolarHBondContact CG-ND2 3.47Å; E78-N108 PolarHBondContact OE1-ND2 2.79Å; E78-G133 CarbonylContact O-C 3.56Å; E78-A134 HydrophobicContact CB-CB 4.25Å; E78-A134 PolarHBondContact OE2-N 2.69Å; E78-G135 PolarHBondContact N-O 2.71Å; E78-G135 VanDerWaalsContact O-CA 3.24Å; E78-G135 WeakPolarHBondContact O-CA 3.49Å; E78-G135 PolarHBondContact O-N 3.32Å
79	I	90.9	Very high	88.6	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-127.9	152.4	176.1	-60.9	176.6	0	0	0	107.9	Y50 F77 R81 D87 I89 C106 S107 F125 F136	Y50-I79 HydrophobicContact CE1-CG1 4.31Å; F77-I79 HydrophobicContact CE1-CD1 4.24Å; F77-I79 HydrophobicContact CE1-CG1 4.36Å; F77-I79 HydrophobicContact CE2-CD1 3.93Å; F77-I79 HydrophobicContact CZ-CD1 3.6Å; F77-I79 HydrophobicContact CZ-CG1 4.19Å; I79-R81 PolarHBondContact O-N 3.09Å; I79-D87 HydrophobicContact CG2-CB 3.62Å; I79-I89 HydrophobicContact CD1-CB 4.31Å; I79-I89 HydrophobicContact CD1-CG2 4.23Å; I79-C106 HydrophobicContact CB-CB 4.3Å; I79-C106 HydrophobicContact CG2-CB 4Å; I79-S107 PolarHBondContact N-O 2.91Å; I79-S107 VanDerWaalsContact N-O 3.16Å; I79-S107 WeakPolarHBondContact O-CA 3.23Å; I79-S107 PolarHBondContact O-N 3.03Å; I79-F125 HydrophobicContact CD1-CD2 4.34Å; I79-F125 HydrophobicContact CD1-CE2 4.01Å; I79-F125 HydrophobicContact CG1-CE2 4.42Å; I79-F125 HydrophobicContact CG2-CE2 4.49Å; I79-F136 HydrophobicContact CD1-CB 4.48Å; I79-F136 HydrophobicContact CD1-CD1 4.13Å
80	E	89.8	Confident	88.8	Confident	26 Å²	26	56.3 Å²	56.3	12%	0.121	27%	0.273	C	S	.	.			trans	-50.3	136	-174.7	-155.2	-141.8	-152.6	0	0	113.7	Y50 L82 Y86 D87 C106 H131	Y50-E80 PolarHBondContact OH-N 2.85Å; E80-L82 PolarHBondContact O-N 3.01Å; E80-L82 VanDerWaalsContact OE1-CD1 3.25Å; E80-L82 WeakPolarHBondContact OE1-CD1 3.23Å; E80-L82 WeakPolarHBondContact OE2-CB 3.31Å; E80-Y86 WeakPolarHBondContact OE2-CD2 3.44Å; E80-D87 HydrophobicContact CB-CB 3.83Å; E80-C106 VanDerWaalsContact O-CB 3.24Å; E80-C106 WeakPolarHBondContact O-CB 3.29Å; E80-C106 PolarHBondContact O-SG 2.88Å; E80-H131 HydrophobicContact CG-CB 3.79Å; E80-H131 WeakPolarHBondContact OE1-CB 3.19Å; E80-H131 IonicContact OE1-CD2 3.24Å; E80-H131 IonicContact OE1-CG 3.65Å
81	R	79.4	Confident	88.9	Confident	182 Å²	182	55.6 Å²	55.6	69%	0.687	27%	0.269	S	S	*	.			trans	-87.2	-2.2	-165.5	-177.2	167.2	175.3	173.2	-0.6	115.1	I79 D83 S107	I79-R81 PolarHBondContact O-N 3.09Å; R81-D83 VanDerWaalsContact C-N 3.32Å; R81-D83 PolarHBondContact O-N 3.35Å; R81-S107 WeakPolarHBondContact CD-OG 3.29Å; R81-S107 WeakPolarHBondContact CG-OG 3.24Å
82	L	77.8	Confident	88.9	Confident	95 Å²	95	58.1 Å²	58.1	50%	0.497	28%	0.279	S	S	.	.	S	Bend	trans	-77.8	76	-171	-61.1	-178.2	0	0	0	112.7	E80 C84 K85 Y86	E80-L82 PolarHBondContact O-N 3.01Å; E80-L82 VanDerWaalsContact OE1-CD1 3.25Å; E80-L82 WeakPolarHBondContact OE1-CD1 3.23Å; E80-L82 WeakPolarHBondContact OE2-CB 3.31Å; L82-C84 PolarHBondContact O-N 3.07Å; L82-K85 VanDerWaalsContact O-CB 3.26Å; L82-K85 WeakPolarHBondContact O-CB 3.23Å; L82-K85 PolarHBondContact O-N 3.24Å; L82-Y86 HydrophobicContact CB-CD2 3.87Å; L82-Y86 HydrophobicContact CB-CE2 3.87Å; L82-Y86 HydrophobicContact CD1-CD2 4Å; L82-Y86 HydrophobicContact CD1-CE2 3.74Å; L82-Y86 HydrophobicContact CG-CE2 4.47Å
83	D	75.9	Confident	88.8	Confident	156 Å²	156	57.1 Å²	57.1	83%	0.834	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	29.9	178	-58.5	-36.2	0	0	0	113.7	R81 K85	R81-D83 VanDerWaalsContact C-N 3.32Å; R81-D83 PolarHBondContact O-N 3.35Å; D83-K85 PolarHBondContact O-N 2.89Å; D83-K85 VanDerWaalsContact O-N 3.09Å
84	C	85.1	Confident	88.5	Confident	24 Å²	24	56.7 Å²	56.7	16%	0.162	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	29	-175.7	-46.4	0	0	0	0	113.5	L82 F88 R104 C106	L82-C84 PolarHBondContact O-N 3.07Å; C84-F88 HydrophobicContact CB-CB 4.11Å; C84-R104 HydrophobicContact CB-CG 4.39Å; C84-R104 PolarHBondContact O-NE 3.24Å; C84-R104 VanDerWaalsContact O-NE 3.08Å; C84-R104 PolarHBondContact O-NH2 3.13Å; C84-C106 WeakPolarHBondContact CA-SG 3.48Å; C84-C106 HydrophobicContact CB-CB 3.65Å; C84-C106 WeakPolarHBondContact CB-SG 3.4Å; C84-C106 PolarHBondContact N-SG 3.45Å; C84-C106 WeakPolarHBondContact SG-CB 3.43Å; C84-C106 PolarHBondContact SG-N 2.71Å; C84-C106 VanDerWaalsContact SG-N 3.35Å; C84-C106 CovalentContact SG-SG 2.04Å; C84-C106 PolarHBondContact SG-SG 2.82Å
85	K	85.6	Confident	88.1	Confident	135 Å²	135	57.3 Å²	57.3	59%	0.587	28%	0.282	S	S	*	.	S	Bend	trans	-83.9	-40.5	-170.3	-176.2	-173.9	169.8	-158.1	0	112.7	L82 D83	L82-K85 VanDerWaalsContact O-CB 3.26Å; L82-K85 WeakPolarHBondContact O-CB 3.23Å; L82-K85 PolarHBondContact O-N 3.24Å; D83-K85 PolarHBondContact O-N 2.89Å; D83-K85 VanDerWaalsContact O-N 3.09Å
86	Y	85.9	Confident	87.6	Confident	90 Å²	90	54.4 Å²	54.4	35%	0.353	27%	0.265	S	S	.	.	S	Bend	trans	-93.7	-70.7	-179.6	-50.7	-76.8	0	0	0	108.9	E80 L82 F88	E80-Y86 WeakPolarHBondContact OE2-CD2 3.44Å; L82-Y86 HydrophobicContact CB-CD2 3.87Å; L82-Y86 HydrophobicContact CB-CE2 3.87Å; L82-Y86 HydrophobicContact CD1-CD2 4Å; L82-Y86 HydrophobicContact CD1-CE2 3.74Å; L82-Y86 HydrophobicContact CG-CE2 4.47Å; Y86-F88 WeakPolarHBondContact O-CD1 3.3Å
87	D	92.1	Very high	86.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-97	137.4	176.9	-61.4	-1.2	0	0	0	111.7	Y50 I79 E80 V126 S127 D128	Y50-D87 WeakPolarHBondContact CE2-OD2 3.26Å; Y50-D87 VanDerWaalsContact CZ-OD2 3.22Å; Y50-D87 PolarHBondContact OH-OD2 3.25Å; I79-D87 HydrophobicContact CG2-CB 3.62Å; E80-D87 HydrophobicContact CB-CB 3.83Å; D87-V126 WeakPolarHBondContact CA-O 3.28Å; D87-S127 WeakPolarHBondContact OD1-CA 3.49Å; D87-D128 WeakPolarHBondContact OD1-CB 3.45Å; D87-D128 PolarHBondContact OD1-N 2.72Å
88	F	93.9	Very high	85.7	Confident	19 Å²	19	63.5 Å²	63.5	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	156.3	179.1	59.1	-81.3	0	0	0	113	C84 Y86 E90 R104 H105 F125 V126	C84-F88 HydrophobicContact CB-CB 4.11Å; Y86-F88 WeakPolarHBondContact O-CD1 3.3Å; F88-E90 HydrophobicContact CD2-CB 3.95Å; F88-E90 HydrophobicContact CE2-CB 4.02Å; F88-R104 HydrophobicContact CB-CG 4.05Å; F88-R104 HydrophobicContact CD2-CG 3.92Å; F88-R104 HydrophobicContact CG-CG 4.23Å; F88-H105 WeakPolarHBondContact CA-O 3.48Å; F88-F125 WeakPolarHBondContact O-CA 3.23Å; F88-F125 WeakPolarHBondContact O-CD2 3.32Å; F88-V126 HydrophobicContact CD1-CB 4.12Å; F88-V126 HydrophobicContact CE1-CB 3.63Å; F88-V126 HydrophobicContact CE1-CG1 3.95Å; F88-V126 HydrophobicContact CE1-CG2 4Å; F88-V126 HydrophobicContact CE2-CB 4.31Å; F88-V126 HydrophobicContact CE2-CG2 3.97Å; F88-V126 HydrophobicContact CZ-CB 3.75Å; F88-V126 HydrophobicContact CZ-CG1 4.3Å; F88-V126 HydrophobicContact CZ-CG2 3.55Å; F88-V126 PolarHBondContact N-O 2.89Å; F88-V126 VanDerWaalsContact N-O 3.12Å; F88-V126 PolarHBondContact O-N 2.89Å
89	I	94.8	Very high	85.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.6	157.3	-166.9	179.1	0	0	0	109.3	F73 F77 I79 I91 R104 H105 I123 R124 F136 L138	F73-I89 HydrophobicContact CE1-CD1 3.88Å; F73-I89 HydrophobicContact CZ-CD1 4.15Å; F77-I89 HydrophobicContact CE2-CG2 4.13Å; F77-I89 HydrophobicContact CZ-CG2 4.03Å; I79-I89 HydrophobicContact CD1-CB 4.31Å; I79-I89 HydrophobicContact CD1-CG2 4.23Å; I89-I91 HydrophobicContact CD1-CD1 4.46Å; I89-I91 HydrophobicContact CG1-CD1 4.24Å; I89-I91 HydrophobicContact CG2-CD1 4.34Å; I89-R104 CarbonylContact O-C 3.58Å; I89-R104 WeakPolarHBondContact O-CA 3.31Å; I89-H105 HydrophobicContact CG2-CB 3.94Å; I89-H105 PolarHBondContact N-O 2.82Å; I89-H105 PolarHBondContact O-N 3.13Å; I89-I123 HydrophobicContact CD1-CG2 3.71Å; I89-I123 HydrophobicContact CG1-CG2 3.87Å; I89-R124 CarbonylContact C-O 3.55Å; I89-R124 WeakPolarHBondContact CA-O 3.34Å; I89-F136 HydrophobicContact CD1-CD1 4.23Å; I89-F136 HydrophobicContact CD1-CD2 3.85Å; I89-F136 HydrophobicContact CD1-CE1 4.01Å; I89-F136 HydrophobicContact CD1-CE2 3.61Å; I89-F136 HydrophobicContact CD1-CG 4.16Å; I89-F136 HydrophobicContact CD1-CZ 3.7Å; I89-F136 HydrophobicContact CG1-CZ 4.49Å; I89-L138 HydrophobicContact CD1-CD2 4.14Å
90	E	93.6	Very high	84.9	Confident	15 Å²	15	66.7 Å²	66.7	7%	0.07	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.3	178.6	-172.7	175.6	100.8	0	0	109.1	F88 R92 V101 G103 R104 I123 R124	F88-E90 HydrophobicContact CD2-CB 3.95Å; F88-E90 HydrophobicContact CE2-CB 4.02Å; E90-R92 IonicContact OE1-CZ 3.77Å; E90-R92 VanDerWaalsContact OE1-CZ 3.22Å; E90-R92 IonicContact OE1-NE 3.38Å; E90-R92 PolarHBondContact OE1-NE 3.35Å; E90-R92 IonicContact OE1-NH2 3.64Å; E90-R92 PolarHBondContact OE1-NH2 2.81Å; E90-V101 HydrophobicContact CG-CG1 4.02Å; E90-G103 WeakPolarHBondContact CA-O 3.26Å; E90-R104 HydrophobicContact CG-CB 4.47Å; E90-R104 IonicContact OE2-NH1 2.68Å; E90-R104 PolarHBondContact OE2-NH1 2.81Å; E90-I123 WeakPolarHBondContact O-CA 3.31Å; E90-R124 PolarHBondContact N-O 2.86Å; E90-R124 PolarHBondContact O-N 2.96Å
91	I	95.2	Very high	84.9	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.9	-177.6	-58.1	90.7	0	0	0	108.8	L71 F73 I89 V101 L102 G103 I114 I121 Q122 I123	L71-I91 HydrophobicContact CD1-CG1 4.44Å; L71-I91 HydrophobicContact CD1-CG2 3.86Å; F73-I91 HydrophobicContact CZ-CD1 4.12Å; I89-I91 HydrophobicContact CD1-CD1 4.46Å; I89-I91 HydrophobicContact CG1-CD1 4.24Å; I89-I91 HydrophobicContact CG2-CD1 4.34Å; I91-V101 CarbonylContact O-C 3.6Å; I91-L102 HydrophobicContact CG2-CB 4.4Å; I91-L102 HydrophobicContact CG2-CD1 4.33Å; I91-L102 PolarHBondContact O-N 2.87Å; I91-G103 PolarHBondContact N-O 2.8Å; I91-G103 PolarHBondContact O-N 2.73Å; I91-I114 HydrophobicContact CB-CD1 4.33Å; I91-I114 HydrophobicContact CD1-CD1 4.06Å; I91-I114 HydrophobicContact CG1-CD1 4.24Å; I91-I114 HydrophobicContact CG2-CD1 4.48Å; I91-I114 HydrophobicContact CG2-CG2 4.28Å; I91-I121 HydrophobicContact CG2-CD1 3.7Å; I91-I121 HydrophobicContact CG2-CG1 3.84Å; I91-Q122 WeakPolarHBondContact CA-O 3.27Å; I91-I123 HydrophobicContact CG1-CG1 4.37Å; I91-I123 HydrophobicContact CG2-CG1 4.5Å
92	R	93.3	Very high	85.2	Confident	52 Å²	52	63.3 Å²	63.3	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.1	-175.5	-70.1	177.4	179.8	-98.5	2.4	112.6	E90 G94 E97 A99 D100 V101 I121 Q122	E90-R92 IonicContact OE1-CZ 3.77Å; E90-R92 VanDerWaalsContact OE1-CZ 3.22Å; E90-R92 IonicContact OE1-NE 3.38Å; E90-R92 PolarHBondContact OE1-NE 3.35Å; E90-R92 IonicContact OE1-NH2 3.64Å; E90-R92 PolarHBondContact OE1-NH2 2.81Å; R92-G94 PolarHBondContact O-N 2.84Å; R92-G94 VanDerWaalsContact O-N 3.09Å; R92-E97 PolarHBondContact NH1-O 2.89Å; R92-E97 VanDerWaalsContact NH1-O 3.14Å; R92-A99 HydrophobicContact CB-CB 4.23Å; R92-A99 PolarHBondContact NH1-O 3.37Å; R92-D100 CarbonylContact C-O 3.56Å; R92-D100 VanDerWaalsContact CA-O 3.24Å; R92-D100 WeakPolarHBondContact CA-O 3.37Å; R92-V101 HydrophobicContact CG-CG2 4.08Å; R92-V101 VanDerWaalsContact CZ-CG2 3.45Å; R92-I121 WeakPolarHBondContact O-CG1 3.5Å; R92-Q122 HydrophobicContact CB-CB 4.39Å; R92-Q122 PolarHBondContact N-O 3.13Å; R92-Q122 PolarHBondContact O-N 2.82Å
93	D	89	Confident	85.6	Confident	33 Å²	33	59.3 Å²	59.3	18%	0.176	32%	0.318	C	S	.	.	S	Bend	trans	-83.4	82.6	-177	-152.2	3.8	0	0	0	111.3	D100 L102 S116 S117	D93-D100 PolarHBondContact N-O 2.9Å; D93-L102 HydrophobicContact CB-CD1 3.88Å; D93-L102 HydrophobicContact CB-CD2 3.93Å; D93-L102 HydrophobicContact CB-CG 3.86Å; D93-S116 VanDerWaalsContact OD1-CA 3.28Å; D93-S116 WeakPolarHBondContact OD1-CA 3.41Å; D93-S116 WeakPolarHBondContact OD1-CB 3.14Å; D93-S117 VanDerWaalsContact CG-N 3.33Å; D93-S117 VanDerWaalsContact CG-OG 3.27Å; D93-S117 PolarHBondContact OD1-N 2.91Å; D93-S117 WeakPolarHBondContact OD2-CB 3.33Å; D93-S117 PolarHBondContact OD2-N 3.16Å; D93-S117 PolarHBondContact OD2-OG 2.75Å
94	G	86.5	Confident	86.4	Confident	15 Å²	15	56.8 Å²	56.8	16%	0.155	30%	0.296	C	S	.	.	S	Bend	trans	129	-159.8	-175.2	0	0	0	0	0	112.7	R92 L120 Q122	R92-G94 PolarHBondContact O-N 2.84Å; R92-G94 VanDerWaalsContact O-N 3.09Å; G94-L120 WeakPolarHBondContact CA-O 3.49Å; G94-L120 PolarHBondContact N-O 2.83Å; G94-L120 VanDerWaalsContact N-O 3.08Å; G94-Q122 WeakPolarHBondContact O-CB 3.27Å; G94-Q122 PolarHBondContact O-N 3.43Å; G94-Q122 VanDerWaalsContact O-N 3.07Å
95	T	80.4	Confident	86.7	Confident	74 Å²	74	57.9 Å²	57.9	45%	0.454	30%	0.299	S	S	.	.	S	Bend	trans	-124.1	4.7	-176	46.5	0	0	0	0	114.7	V59 L120	V59-T95 HydrophobicContact CB-CG2 4.36Å; V59-T95 HydrophobicContact CG1-CG2 3.43Å; V59-T95 VanDerWaalsContact CG1-CG2 3.43Å; V59-T95 HydrophobicContact CG2-CG2 3.96Å; T95-L120 HydrophobicContact CG2-CB 4.15Å; T95-L120 HydrophobicContact CG2-CD1 4.07Å; T95-L120 HydrophobicContact CG2-CD2 4.05Å; T95-L120 HydrophobicContact CG2-CG 4.33Å
96	S	76.6	Confident	86.9	Confident	53 Å²	53	52.1 Å²	52.1	37%	0.371	28%	0.275	S	S	.	.	S	Bend	trans	-87.2	145	175.5	-175.2	0	0	0	0	110.7	T98 A99	S96-T98 PolarHBondContact O-N 2.97Å; S96-T98 VanDerWaalsContact O-N 3.1Å; S96-T98 PolarHBondContact OG-N 2.95Å; S96-T98 VanDerWaalsContact OG-N 3.08Å; S96-T98 PolarHBondContact OG-OG1 2.87Å; S96-A99 WeakPolarHBondContact O-CB 3.2Å; S96-A99 PolarHBondContact O-N 3.22Å
97	E	67.7	Low	87	Confident	164 Å²	164	48.8 Å²	48.8	77%	0.766	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.1	165.8	-60.6	-167.9	136.9	0	0	112.4	R92	R92-E97 PolarHBondContact NH1-O 2.89Å; R92-E97 VanDerWaalsContact NH1-O 3.14Å
98	T	74.9	Confident	86.7	Confident	122 Å²	122	52.7 Å²	52.7	75%	0.748	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	2.9	172.8	71.5	0	0	0	0	114.1	S96	S96-T98 PolarHBondContact O-N 2.97Å; S96-T98 VanDerWaalsContact O-N 3.1Å; S96-T98 PolarHBondContact OG-N 2.95Å; S96-T98 VanDerWaalsContact OG-N 3.08Å; S96-T98 PolarHBondContact OG-OG1 2.87Å
99	A	79.6	Confident	86.3	Confident	14 Å²	14	58.2 Å²	58.2	12%	0.116	32%	0.315	C	S	.	.	S	Bend	trans	-70.9	147	179.5	0	0	0	0	0	111.5	R92 S96	R92-A99 HydrophobicContact CB-CB 4.23Å; R92-A99 PolarHBondContact NH1-O 3.37Å; S96-A99 WeakPolarHBondContact O-CB 3.2Å; S96-A99 PolarHBondContact O-N 3.22Å
100	D	86.3	Confident	85.9	Confident	132 Å²	132	59.4 Å²	59.4	71%	0.706	33%	0.325	S	S	*	.			trans	-60.5	135.5	-175.6	-74.4	-43.7	0	0	0	111.8	R92 D93 L102	R92-D100 CarbonylContact C-O 3.56Å; R92-D100 VanDerWaalsContact CA-O 3.24Å; R92-D100 WeakPolarHBondContact CA-O 3.37Å; D93-D100 PolarHBondContact N-O 2.9Å; D100-L102 PolarHBondContact O-N 2.72Å
101	V	89.2	Confident	85.6	Confident	69 Å²	69	59.3 Å²	59.3	42%	0.418	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.6	-179.2	-179	0	0	0	0	109	E90 I91 R92 G103	E90-V101 HydrophobicContact CG-CG1 4.02Å; I91-V101 CarbonylContact O-C 3.6Å; R92-V101 HydrophobicContact CG-CG2 4.08Å; R92-V101 VanDerWaalsContact CZ-CG2 3.45Å; V101-G103 PolarHBondContact O-N 2.87Å
102	L	86.2	Confident	84.8	Confident	67 Å²	67	63.7 Å²	63.7	35%	0.351	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	-29.1	174.2	-62.3	178.6	0	0	0	111.6	I91 D93 D100 I114 I121	I91-L102 HydrophobicContact CG2-CB 4.4Å; I91-L102 HydrophobicContact CG2-CD1 4.33Å; I91-L102 PolarHBondContact O-N 2.87Å; D93-L102 HydrophobicContact CB-CD1 3.88Å; D93-L102 HydrophobicContact CB-CD2 3.93Å; D93-L102 HydrophobicContact CB-CG 3.86Å; D100-L102 PolarHBondContact O-N 2.72Å; L102-I114 HydrophobicContact CB-CG2 3.96Å; L102-I114 HydrophobicContact CD1-CG2 3.56Å; L102-I114 HydrophobicContact CG-CG2 4.37Å; L102-I121 HydrophobicContact CD1-CD1 3.91Å
103	G	86.1	Confident	84.5	Confident	12 Å²	12	65.2 Å²	65.2	12%	0.124	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.6	157.6	170.5	0	0	0	0	0	113.9	E90 I91 V101 H105	E90-G103 WeakPolarHBondContact CA-O 3.26Å; I91-G103 PolarHBondContact N-O 2.8Å; I91-G103 PolarHBondContact O-N 2.73Å; V101-G103 PolarHBondContact O-N 2.87Å; G103-H105 WeakPolarHBondContact CA-NE2 3.29Å
104	R	91.7	Very high	84.4	Confident	103 Å²	103	64.4 Å²	64.4	39%	0.389	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.7	169.4	178.3	174	172.1	145.6	-8.6	108	C84 F88 I89 E90	C84-R104 HydrophobicContact CB-CG 4.39Å; C84-R104 PolarHBondContact O-NE 3.24Å; C84-R104 VanDerWaalsContact O-NE 3.08Å; C84-R104 PolarHBondContact O-NH2 3.13Å; F88-R104 HydrophobicContact CB-CG 4.05Å; F88-R104 HydrophobicContact CD2-CG 3.92Å; F88-R104 HydrophobicContact CG-CG 4.23Å; I89-R104 CarbonylContact O-C 3.58Å; I89-R104 WeakPolarHBondContact O-CA 3.31Å; E90-R104 HydrophobicContact CG-CB 4.47Å; E90-R104 IonicContact OE2-NH1 2.68Å; E90-R104 PolarHBondContact OE2-NH1 2.81Å
105	H	91.9	Very high	84.5	Confident	46 Å²	46	67.1 Å²	67.1	21%	0.213	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150	-165.7	-50.9	-81.5	0	0	0	112.2	F77 F88 I89 G103 P111	F77-H105 HydrophobicContact CZ-CB 4.23Å; F88-H105 WeakPolarHBondContact CA-O 3.48Å; I89-H105 HydrophobicContact CG2-CB 3.94Å; I89-H105 PolarHBondContact N-O 2.82Å; I89-H105 PolarHBondContact O-N 3.13Å; G103-H105 WeakPolarHBondContact CA-NE2 3.29Å; H105-P111 HydrophobicContact CB-CG 3.83Å
106	C	90.3	Very high	84.9	Confident	14 Å²	14	63.7 Å²	63.7	10%	0.095	36%	0.356	C	S	.	.			trans	-161.7	-165.8	177.3	69.4	0	0	0	0	108.5	I79 E80 C84	I79-C106 HydrophobicContact CB-CB 4.3Å; I79-C106 HydrophobicContact CG2-CB 4Å; E80-C106 VanDerWaalsContact O-CB 3.24Å; E80-C106 WeakPolarHBondContact O-CB 3.29Å; E80-C106 PolarHBondContact O-SG 2.88Å; C84-C106 WeakPolarHBondContact CA-SG 3.48Å; C84-C106 HydrophobicContact CB-CB 3.65Å; C84-C106 WeakPolarHBondContact CB-SG 3.4Å; C84-C106 PolarHBondContact N-SG 3.45Å; C84-C106 WeakPolarHBondContact SG-CB 3.43Å; C84-C106 PolarHBondContact SG-N 2.71Å; C84-C106 VanDerWaalsContact SG-N 3.35Å; C84-C106 CovalentContact SG-SG 2.04Å; C84-C106 PolarHBondContact SG-SG 2.82Å
107	S	87.6	Confident	85.1	Confident	20 Å²	20	64.8 Å²	64.8	14%	0.14	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	67.8	-167	-174.8	-165.3	0	0	0	0	112.7	F77 I79 R81	F77-S107 VanDerWaalsContact CD1-O 3.25Å; F77-S107 WeakPolarHBondContact CD1-O 3.19Å; F77-S107 WeakPolarHBondContact CE1-O 3.5Å; I79-S107 PolarHBondContact N-O 2.91Å; I79-S107 VanDerWaalsContact N-O 3.16Å; I79-S107 WeakPolarHBondContact O-CA 3.23Å; I79-S107 PolarHBondContact O-N 3.03Å; R81-S107 WeakPolarHBondContact CD-OG 3.29Å; R81-S107 WeakPolarHBondContact CG-OG 3.24Å
108	N	87.1	Confident	85.8	Confident	83 Å²	83	58 Å²	58	44%	0.444	34%	0.337	S	S	.	.	S	Bend	trans	-97.8	25.8	-172	-58.3	77.4	0	0	0	113.6	F77 E78	F77-N108 CarbonylContact O-C 3.57Å; F77-N108 VanDerWaalsContact O-CA 3.32Å; F77-N108 WeakPolarHBondContact O-CA 3.43Å; E78-N108 WeakPolarHBondContact CG-ND2 3.47Å; E78-N108 PolarHBondContact OE1-ND2 2.79Å
109	I	84.3	Confident	86.4	Confident	134 Å²	134	53.7 Å²	53.7	69%	0.687	31%	0.312	S	S	*	.			trans	-128.2	115.2	-176.8	-58.6	177.6	0	0	0	108.3	F77	F77-I109 WeakPolarHBondContact CD1-O 3.23Å
110	A	85.9	Confident	87	Confident	26 Å²	26	55.4 Å²	55.4	22%	0.215	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-62	138.8	175.5	0	0	0	0	0	111.1	F73 N74 F77	F73-A110 HydrophobicContact CB-CB 4.09Å; N74-A110 WeakPolarHBondContact O-CB 3.5Å; F77-A110 HydrophobicContact CB-CB 3.87Å; F77-A110 HydrophobicContact CG-CB 4.33Å
111	P	88.3	Confident	87.3	Confident	13 Å²	13	49.1 Å²	49.1	8%	0.084	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.3	153	172.2	-23.1	33.3	0	0	0	112.6	F73 H105	F73-P111 HydrophobicContact CD1-CG 4.21Å; F73-P111 HydrophobicContact CD2-CB 3.75Å; F73-P111 HydrophobicContact CD2-CG 3.91Å; F73-P111 HydrophobicContact CE1-CG 4.2Å; F73-P111 HydrophobicContact CE2-CB 3.89Å; F73-P111 HydrophobicContact CE2-CG 3.91Å; F73-P111 HydrophobicContact CG-CB 4.28Å; F73-P111 HydrophobicContact CG-CG 4.08Å; F73-P111 HydrophobicContact CZ-CG 4.06Å; H105-P111 HydrophobicContact CB-CG 3.83Å
112	P	78	Confident	87.5	Confident	92 Å²	92	47.1 Å²	47.1	60%	0.597	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-62.9	166	165.5	31.3	-36.2	0	0	0	110.6	I114	P112-I114 PolarHBondContact O-N 2.82Å
113	P	86.4	Confident	87.9	Confident	83 Å²	83	43.9 Å²	43.9	54%	0.539	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-54.1	129.7	173.2	-26.8	36.2	0	0	0	112.2	L71	L71-P113 WeakPolarHBondContact O-CA 3.23Å
114	I	88.6	Confident	88.3	Confident	16 Å²	16	47.2 Å²	47.2	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.3	178.9	-61	177.8	0	0	0	108.4	V70 L71 F73 I91 L102 P112 I121	V70-I114 CarbonylContact C-O 3.45Å; V70-I114 WeakPolarHBondContact CA-O 3.45Å; L71-I114 HydrophobicContact CB-CB 4.41Å; L71-I114 PolarHBondContact N-O 2.86Å; L71-I114 PolarHBondContact O-N 3.43Å; F73-I114 HydrophobicContact CE2-CD1 4.16Å; I91-I114 HydrophobicContact CB-CD1 4.33Å; I91-I114 HydrophobicContact CD1-CD1 4.06Å; I91-I114 HydrophobicContact CG1-CD1 4.24Å; I91-I114 HydrophobicContact CG2-CD1 4.48Å; I91-I114 HydrophobicContact CG2-CG2 4.28Å; L102-I114 HydrophobicContact CB-CG2 3.96Å; L102-I114 HydrophobicContact CD1-CG2 3.56Å; L102-I114 HydrophobicContact CG-CG2 4.37Å; P112-I114 PolarHBondContact O-N 2.82Å; I114-I121 HydrophobicContact CG2-CD1 4.35Å
115	I	87.3	Confident	88.5	Confident	72 Å²	72	42.3 Å²	42.3	37%	0.369	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.5	178.3	-55.9	162.7	0	0	0	108.1	R68 I69 V70 F143	R68-I115 HydrophobicContact CB-CG2 4.46Å; I69-I115 WeakPolarHBondContact O-CA 3.48Å; V70-I115 HydrophobicContact CB-CG1 4.2Å; V70-I115 HydrophobicContact CG2-CG1 3.91Å; I115-F143 HydrophobicContact CD1-CD2 4.12Å; I115-F143 HydrophobicContact CD1-CE1 4.24Å; I115-F143 HydrophobicContact CD1-CE2 3.65Å; I115-F143 HydrophobicContact CD1-CZ 3.73Å; I115-F143 HydrophobicContact CG1-CD2 4.25Å; I115-F143 HydrophobicContact CG1-CE2 4.29Å; I115-F143 HydrophobicContact CG2-CB 4.25Å; I115-F143 HydrophobicContact CG2-CD1 3.71Å; I115-F143 HydrophobicContact CG2-CD2 4.34Å; I115-F143 HydrophobicContact CG2-CE1 4.1Å; I115-F143 HydrophobicContact CG2-CG 3.84Å
116	S	88.9	Confident	88.5	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	24%	0.241	C	C	.	.			trans	-74.2	151	173.9	61.5	0	0	0	0	112.1	R68 I69 D93 G118	R68-S116 VanDerWaalsContact CD-O 3.22Å; R68-S116 WeakPolarHBondContact CD-O 3.24Å; R68-S116 VanDerWaalsContact CG-O 3.3Å; R68-S116 WeakPolarHBondContact CG-O 3.34Å; I69-S116 PolarHBondContact N-OG 2.64Å; I69-S116 PolarHBondContact O-N 2.87Å; I69-S116 PolarHBondContact O-OG 3.32Å; D93-S116 VanDerWaalsContact OD1-CA 3.28Å; D93-S116 WeakPolarHBondContact OD1-CA 3.41Å; D93-S116 WeakPolarHBondContact OD1-CB 3.14Å; S116-G118 WeakPolarHBondContact CB-O 3.38Å; S116-G118 PolarHBondContact OG-O 3.49Å
117	S	81.6	Confident	88.7	Confident	77 Å²	77	40.9 Å²	40.9	54%	0.538	24%	0.239	S	C	.	.	S	Bend	trans	-77	-25.9	169.1	64.4	0	0	0	0	112.5	R68 D93	R68-S117 PolarHBondContact NE-O 3.49Å; R68-S117 PolarHBondContact NH2-O 3.44Å; D93-S117 VanDerWaalsContact CG-N 3.33Å; D93-S117 VanDerWaalsContact CG-OG 3.27Å; D93-S117 PolarHBondContact OD1-N 2.91Å; D93-S117 WeakPolarHBondContact OD2-CB 3.33Å; D93-S117 PolarHBondContact OD2-N 3.16Å; D93-S117 PolarHBondContact OD2-OG 2.75Å
118	G	82.5	Confident	88.8	Confident	21 Å²	21	41.6 Å²	41.6	22%	0.216	24%	0.241	C	C	.	.	S	Bend	trans	-128.2	-170.5	-179.4	0	0	0	0	0	115.3	S116 L120	S116-G118 WeakPolarHBondContact CB-O 3.38Å; S116-G118 PolarHBondContact OG-O 3.49Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 3.4Å
119	P	87	Confident	88.8	Confident	32 Å²	32	46 Å²	46	21%	0.208	25%	0.252	C	S	.	.	S	Bend	trans	-83	9.2	-171.6	35.6	-39.8	0	0	0	114.8	A62 E64 Q67	A62-P119 HydrophobicContact CB-CB 4.02Å; A62-P119 PolarHBondContact N-O 2.86Å; E64-P119 WeakPolarHBondContact O-CB 3.42Å; Q67-P119 WeakPolarHBondContact O-CA 3.44Å; Q67-P119 WeakPolarHBondContact O-CB 3.39Å
120	L	91.6	Very high	88.6	Confident	49 Å²	49	40.5 Å²	40.5	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.1	-174.5	-73.6	169.8	0	0	0	109.5	V59 I60 Q61 G94 T95 G118	V59-L120 HydrophobicContact CG1-CD2 4.18Å; I60-L120 WeakPolarHBondContact O-CA 3.4Å; Q61-L120 HydrophobicContact CB-CD2 3.7Å; Q61-L120 HydrophobicContact CG-CD2 3.77Å; G94-L120 WeakPolarHBondContact CA-O 3.49Å; G94-L120 PolarHBondContact N-O 2.83Å; G94-L120 VanDerWaalsContact N-O 3.08Å; T95-L120 HydrophobicContact CG2-CB 4.15Å; T95-L120 HydrophobicContact CG2-CD1 4.07Å; T95-L120 HydrophobicContact CG2-CD2 4.05Å; T95-L120 HydrophobicContact CG2-CG 4.33Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 3.4Å
121	I	93.3	Very high	88.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.4	174.1	-168.3	164.6	0	0	0	109.7	I60 I69 L71 I91 R92 L102 I114	I60-I121 HydrophobicContact CB-CG2 3.86Å; I60-I121 HydrophobicContact CD1-CG2 4.05Å; I60-I121 HydrophobicContact CG1-CG2 4.44Å; I60-I121 PolarHBondContact N-O 2.98Å; I60-I121 PolarHBondContact O-N 3.08Å; I60-I121 VanDerWaalsContact O-N 3.08Å; I69-I121 HydrophobicContact CB-CG2 4.09Å; I69-I121 HydrophobicContact CD1-CG2 3.81Å; I69-I121 HydrophobicContact CG2-CG2 3.88Å; L71-I121 HydrophobicContact CD1-CD1 3.61Å; L71-I121 HydrophobicContact CD1-CG1 4.33Å; L71-I121 HydrophobicContact CD2-CG2 4.38Å; L71-I121 HydrophobicContact CG-CD1 4.03Å; I91-I121 HydrophobicContact CG2-CD1 3.7Å; I91-I121 HydrophobicContact CG2-CG1 3.84Å; R92-I121 WeakPolarHBondContact O-CG1 3.5Å; L102-I121 HydrophobicContact CD1-CD1 3.91Å; I114-I121 HydrophobicContact CG2-CD1 4.35Å
122	Q	93.9	Very high	88.3	Confident	27 Å²	27	47.9 Å²	47.9	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.4	179.4	180	178.2	6.9	0	0	110	W58 V59 I91 R92 G94	W58-Q122 WeakPolarHBondContact O-CA 3.39Å; V59-Q122 HydrophobicContact CG2-CB 4.49Å; V59-Q122 HydrophobicContact CG2-CG 4.37Å; I91-Q122 WeakPolarHBondContact CA-O 3.27Å; R92-Q122 HydrophobicContact CB-CB 4.39Å; R92-Q122 PolarHBondContact N-O 3.13Å; R92-Q122 PolarHBondContact O-N 2.82Å; G94-Q122 WeakPolarHBondContact O-CB 3.27Å; G94-Q122 PolarHBondContact O-N 3.43Å; G94-Q122 VanDerWaalsContact O-N 3.07Å
123	I	94.5	Very high	88.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.9	178.2	-58.6	171.8	0	0	0	107.7	I41 W58 I60 L71 I89 E90 I91 L138	I41-I123 HydrophobicContact CD1-CD1 3.95Å; W58-I123 HydrophobicContact CB-CB 4.46Å; W58-I123 HydrophobicContact CE3-CB 4.43Å; W58-I123 HydrophobicContact CE3-CG2 4.12Å; W58-I123 PolarHBondContact N-O 2.85Å; W58-I123 PolarHBondContact O-N 3.04Å; I60-I123 HydrophobicContact CD1-CD1 3.65Å; L71-I123 HydrophobicContact CD1-CD1 3.67Å; L71-I123 HydrophobicContact CD1-CG1 4.11Å; L71-I123 HydrophobicContact CD2-CD1 4.14Å; I89-I123 HydrophobicContact CD1-CG2 3.71Å; I89-I123 HydrophobicContact CG1-CG2 3.87Å; E90-I123 WeakPolarHBondContact O-CA 3.31Å; I91-I123 HydrophobicContact CG1-CG1 4.37Å; I91-I123 HydrophobicContact CG2-CG1 4.5Å; I123-L138 HydrophobicContact CD1-CD1 4.21Å; I123-L138 HydrophobicContact CD1-CD2 4.04Å
124	R	93.8	Very high	89	Confident	81 Å²	81	40.4 Å²	40.4	31%	0.306	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.5	177.4	-177.1	-179.5	-176.8	167.3	3.8	110	N55 C56 H57 I89 E90 V126	N55-R124 PolarHBondContact OD1-NE 2.9Å; N55-R124 VanDerWaalsContact OD1-NE 3.11Å; N55-R124 PolarHBondContact OD1-NH2 2.92Å; C56-R124 CarbonylContact O-C 3.4Å; C56-R124 WeakPolarHBondContact O-CA 3.33Å; H57-R124 PolarHBondContact CE1-NE 3.04Å; I89-R124 CarbonylContact C-O 3.55Å; I89-R124 WeakPolarHBondContact CA-O 3.34Å; E90-R124 PolarHBondContact N-O 2.86Å; E90-R124 PolarHBondContact O-N 2.96Å; R124-V126 HydrophobicContact CG-CG2 4.1Å
125	F	95.1	Very high	89.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.6	171.1	173.1	-113	0	0	0	109.9	Y50 Q54 N55 C56 W58 I79 F88 F136	Y50-F125 AromaticContact CD1-CZ 3.99Å; Y50-F125 HydrophobicContact CD1-CZ 3.99Å; Y50-F125 HydrophobicContact CD2-CE1 4.28Å; Y50-F125 AromaticContact CD2-CZ 3.72Å; Y50-F125 HydrophobicContact CD2-CZ 3.72Å; Y50-F125 HydrophobicContact CE1-CZ 4.23Å; Y50-F125 AromaticContact CE2-CZ 3.99Å; Y50-F125 HydrophobicContact CE2-CZ 3.99Å; Y50-F125 HydrophobicContact CG-CE1 4.24Å; Y50-F125 AromaticContact CG-CZ 3.73Å; Y50-F125 HydrophobicContact CG-CZ 3.73Å; Q54-F125 HydrophobicContact CB-CD1 4.35Å; Q54-F125 HydrophobicContact CB-CE1 4.16Å; N55-F125 CarbonylContact C-O 3.43Å; N55-F125 VanDerWaalsContact CA-O 3.29Å; N55-F125 WeakPolarHBondContact CA-O 3.5Å; C56-F125 HydrophobicContact CB-CB 4.32Å; C56-F125 PolarHBondContact N-O 3.34Å; C56-F125 PolarHBondContact O-N 3.47Å; W58-F125 HydrophobicContact CH2-CB 4.32Å; W58-F125 HydrophobicContact CZ3-CB 3.85Å; I79-F125 HydrophobicContact CD1-CD2 4.34Å; I79-F125 HydrophobicContact CD1-CE2 4.01Å; I79-F125 HydrophobicContact CG1-CE2 4.42Å; I79-F125 HydrophobicContact CG2-CE2 4.49Å; F88-F125 WeakPolarHBondContact O-CA 3.23Å; F88-F125 WeakPolarHBondContact O-CD2 3.32Å; F125-F136 HydrophobicContact CB-CE1 3.88Å; F125-F136 HydrophobicContact CB-CZ 4.3Å; F125-F136 HydrophobicContact CD1-CE1 4.33Å; F125-F136 HydrophobicContact CD2-CD1 4.18Å; F125-F136 AromaticContact CD2-CE1 3.74Å; F125-F136 HydrophobicContact CD2-CE1 3.74Å; F125-F136 HydrophobicContact CE2-CD1 4.49Å; F125-F136 HydrophobicContact CE2-CE1 4.38Å; F125-F136 AromaticContact CG-CE1 3.71Å; F125-F136 HydrophobicContact CG-CE1 3.71Å
126	V	93.8	Very high	89.6	Confident	25 Å²	25	36.2 Å²	36.2	15%	0.152	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139	179.2	-178.7	0	0	0	0	109.6	Q54 D87 F88 R124	Q54-V126 CarbonylContact O-C 3.58Å; Q54-V126 WeakPolarHBondContact O-CA 3.49Å; D87-V126 WeakPolarHBondContact CA-O 3.28Å; F88-V126 HydrophobicContact CD1-CB 4.12Å; F88-V126 HydrophobicContact CE1-CB 3.63Å; F88-V126 HydrophobicContact CE1-CG1 3.95Å; F88-V126 HydrophobicContact CE1-CG2 4Å; F88-V126 HydrophobicContact CE2-CB 4.31Å; F88-V126 HydrophobicContact CE2-CG2 3.97Å; F88-V126 HydrophobicContact CZ-CB 3.75Å; F88-V126 HydrophobicContact CZ-CG1 4.3Å; F88-V126 HydrophobicContact CZ-CG2 3.55Å; F88-V126 PolarHBondContact N-O 2.89Å; F88-V126 VanDerWaalsContact N-O 3.12Å; F88-V126 PolarHBondContact O-N 2.89Å; R124-V126 HydrophobicContact CG-CG2 4.1Å
127	S	92.8	Very high	89.9	Confident	6 Å²	6	36.7 Å²	36.7	4%	0.042	19%	0.192	C	C	.	.			trans	-131.6	151.6	166.6	68.5	0	0	0	0	113.9	P51 H53 Q54 D87	P51-S127 PolarHBondContact O-OG 2.92Å; H53-S127 VanDerWaalsContact CA-O 3.26Å; H53-S127 WeakPolarHBondContact CA-O 3.4Å; H53-S127 PolarHBondContact N-O 2.89Å; H53-S127 PolarHBondContact N-OG 2.86Å; Q54-S127 WeakPolarHBondContact CB-OG 3.04Å; Q54-S127 PolarHBondContact N-OG 3.15Å; Q54-S127 PolarHBondContact O-N 2.8Å; D87-S127 WeakPolarHBondContact OD1-CA 3.49Å
128	D	89.4	Confident	90.5	Very high	34 Å²	34	33.1 Å²	33.1	18%	0.182	17%	0.167	C	C	.	.			trans	-90.6	-166.7	-177.5	159.5	-75.3	0	0	0	111.5	P52 H53 D87 A130	P52-D128 CarbonylContact C-O 3.49Å; P52-D128 WeakPolarHBondContact CA-O 3.47Å; P52-D128 WeakPolarHBondContact CB-O 3.49Å; H53-D128 PolarHBondContact N-O 3.06Å; D87-D128 WeakPolarHBondContact OD1-CB 3.45Å; D87-D128 PolarHBondContact OD1-N 2.72Å; D128-A130 PolarHBondContact OD1-N 3.16Å
129	Y	87.8	Confident	91.1	Very high	175 Å²	175	35.7 Å²	35.7	69%	0.686	17%	0.17	S	C	*	.	S	Bend	trans	-83.1	-6.8	177.6	70.2	-87.6	0	0	0	114.5
130	A	80.5	Confident	91.4	Very high	20 Å²	20	35.1 Å²	35.1	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	-141.5	175.8	-171.3	0	0	0	0	0	113.7	D128 Q132	D128-A130 PolarHBondContact OD1-N 3.16Å; A130-Q132 PolarHBondContact O-N 2.91Å; A130-Q132 PolarHBondContact O-NE2 2.79Å
131	H	80.7	Confident	91.4	Very high	136 Å²	136	35.2 Å²	35.2	63%	0.63	16%	0.163	S	C	*	.			trans	50.2	49.6	166.1	-61.2	-60.5	0	0	0	117.4	E80	E80-H131 HydrophobicContact CG-CB 3.79Å; E80-H131 WeakPolarHBondContact OE1-CB 3.19Å; E80-H131 IonicContact OE1-CD2 3.24Å; E80-H131 IonicContact OE1-CG 3.65Å
132	Q	86.8	Confident	91	Very high	57 Å²	57	36.6 Å²	36.6	27%	0.266	17%	0.17	S	C	.	.			trans	-61.5	155.9	172.3	-64.3	64.7	40.2	0	0	112.8	E49 Y50 A130	E49-Q132 HydrophobicContact CB-CB 4.13Å; E49-Q132 HydrophobicContact CG-CB 4.47Å; Y50-Q132 HydrophobicContact CD2-CB 4.39Å; Y50-Q132 HydrophobicContact CD2-CG 4.21Å; Y50-Q132 HydrophobicContact CE2-CB 4.25Å; Y50-Q132 HydrophobicContact CE2-CG 4.22Å; Y50-Q132 WeakPolarHBondContact O-CB 3.17Å; Y50-Q132 WeakPolarHBondContact O-CG 3.23Å; A130-Q132 PolarHBondContact O-N 2.91Å; A130-Q132 PolarHBondContact O-NE2 2.79Å
133	G	88.6	Confident	90.3	Very high	8 Å²	8	37.8 Å²	37.8	8%	0.082	18%	0.175	C	C	.	.			trans	-142.1	178.7	174	0	0	0	0	0	111.8	E49 Y50 E78 G135	E49-G133 VanDerWaalsContact CA-O 3.31Å; E49-G133 WeakPolarHBondContact CA-O 3.37Å; Y50-G133 WeakPolarHBondContact CD1-O 3.39Å; Y50-G133 VanDerWaalsContact CE1-O 3.24Å; Y50-G133 WeakPolarHBondContact CE1-O 3.45Å; Y50-G133 PolarHBondContact N-O 2.76Å; E78-G133 CarbonylContact O-C 3.56Å; G133-G135 PolarHBondContact O-N 2.85Å
134	A	91.1	Very high	88.8	Confident	11 Å²	11	46 Å²	46	9%	0.091	21%	0.21	C	C	.	.			trans	-60.5	-17.8	-176.1	0	0	0	0	0	114.6	Y46 E78	Y46-A134 WeakPolarHBondContact CD2-O 3.38Å; E78-A134 HydrophobicContact CB-CB 4.25Å; E78-A134 PolarHBondContact OE2-N 2.69Å
135	G	93.3	Very high	86.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	88.9	-142	171.2	0	0	0	0	0	113.8	S43 Y50 F77 E78 G133	S43-G135 WeakPolarHBondContact OG-CA 3.5Å; Y50-G135 VanDerWaalsContact CD1-CA 3.5Å; F77-G135 CarbonylContact C-O 3.6Å; F77-G135 WeakPolarHBondContact CA-O 3.26Å; E78-G135 PolarHBondContact N-O 2.71Å; E78-G135 VanDerWaalsContact O-CA 3.24Å; E78-G135 WeakPolarHBondContact O-CA 3.49Å; E78-G135 PolarHBondContact O-N 3.32Å; G133-G135 PolarHBondContact O-N 2.85Å
136	F	94.9	Very high	84.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.			trans	-139.8	155.1	-177.9	74.2	-86.4	0	0	0	113	I41 T42 S43 Y46 W58 F73 F77 I79 I89 F125 L138	I41-F136 HydrophobicContact CG2-CE2 4.06Å; I41-F136 HydrophobicContact CG2-CZ 4.34Å; T42-F136 CarbonylContact C-O 3.58Å; T42-F136 WeakPolarHBondContact CA-O 3.49Å; T42-F136 WeakPolarHBondContact CB-O 3.47Å; S43-F136 PolarHBondContact N-O 3.18Å; S43-F136 PolarHBondContact OG-N 3.37Å; Y46-F136 VanDerWaalsContact CD2-C 3.41Å; Y46-F136 VanDerWaalsContact CD2-O 3.28Å; Y46-F136 WeakPolarHBondContact CD2-O 3.06Å; W58-F136 HydrophobicContact CH2-CZ 4.04Å; W58-F136 AromaticContact CZ3-CZ 3.92Å; W58-F136 HydrophobicContact CZ3-CZ 3.92Å; F73-F136 HydrophobicContact CE1-CD2 4.47Å; F77-F136 HydrophobicContact CD2-CB 3.53Å; F77-F136 HydrophobicContact CE2-CB 3.66Å; I79-F136 HydrophobicContact CD1-CB 4.48Å; I79-F136 HydrophobicContact CD1-CD1 4.13Å; I89-F136 HydrophobicContact CD1-CD1 4.23Å; I89-F136 HydrophobicContact CD1-CD2 3.85Å; I89-F136 HydrophobicContact CD1-CE1 4.01Å; I89-F136 HydrophobicContact CD1-CE2 3.61Å; I89-F136 HydrophobicContact CD1-CG 4.16Å; I89-F136 HydrophobicContact CD1-CZ 3.7Å; I89-F136 HydrophobicContact CG1-CZ 4.49Å; F125-F136 HydrophobicContact CB-CE1 3.88Å; F125-F136 HydrophobicContact CB-CZ 4.3Å; F125-F136 HydrophobicContact CD1-CE1 4.33Å; F125-F136 HydrophobicContact CD2-CD1 4.18Å; F125-F136 AromaticContact CD2-CE1 3.74Å; F125-F136 HydrophobicContact CD2-CE1 3.74Å; F125-F136 HydrophobicContact CE2-CD1 4.49Å; F125-F136 HydrophobicContact CE2-CE1 4.38Å; F125-F136 AromaticContact CG-CE1 3.71Å; F125-F136 HydrophobicContact CG-CE1 3.71Å; F136-L138 HydrophobicContact CD2-CD2 3.98Å; F136-L138 HydrophobicContact CE2-CD2 3.75Å; F136-L138 HydrophobicContact CE2-CG 4.41Å
137	S	95	Very high	83	Confident	12 Å²	12	45.1 Å²	45.1	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.2	162.5	175.1	0	0	0	0	109	I41 Y46 N74	I41-S137 WeakPolarHBondContact O-CA 3.39Å; Y46-S137 VanDerWaalsContact CE1-CB 3.49Å; Y46-S137 VanDerWaalsContact CZ-CB 3.47Å; N74-S137 VanDerWaalsContact CB-O 3.26Å; N74-S137 WeakPolarHBondContact CB-O 3.27Å; N74-S137 PolarHBondContact N-O 3.15Å
138	L	94.7	Very high	81.2	Confident	1 Å²	1	50 Å²	50	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.5	173.3	68.9	91.1	0	0	0	110.4	Y40 I41 L71 N72 F73 I89 I123 F136	Y40-L138 CarbonylContact C-O 3.59Å; Y40-L138 VanDerWaalsContact CA-O 3.26Å; Y40-L138 WeakPolarHBondContact CA-O 3.18Å; I41-L138 HydrophobicContact CB-CD1 4.12Å; I41-L138 HydrophobicContact CB-CG 4.09Å; I41-L138 HydrophobicContact CD1-CD1 4.35Å; I41-L138 HydrophobicContact CG1-CD1 4.46Å; I41-L138 PolarHBondContact N-O 3.21Å; I41-L138 PolarHBondContact O-N 3.15Å; L71-L138 HydrophobicContact CD2-CD1 4.19Å; N72-L138 CarbonylContact O-C 3.52Å; N72-L138 WeakPolarHBondContact O-CA 3.27Å; F73-L138 HydrophobicContact CD1-CB 3.82Å; F73-L138 HydrophobicContact CD1-CD2 4.29Å; F73-L138 HydrophobicContact CE1-CB 3.97Å; F73-L138 HydrophobicContact CE1-CD2 3.57Å; F73-L138 HydrophobicContact CE1-CG 4.42Å; F73-L138 HydrophobicContact CG-CB 4.17Å; F73-L138 HydrophobicContact CZ-CB 4.42Å; F73-L138 HydrophobicContact CZ-CD2 3.74Å; I89-L138 HydrophobicContact CD1-CD2 4.14Å; I123-L138 HydrophobicContact CD1-CD1 4.21Å; I123-L138 HydrophobicContact CD1-CD2 4.04Å; F136-L138 HydrophobicContact CD2-CD2 3.98Å; F136-L138 HydrophobicContact CE2-CD2 3.75Å; F136-L138 HydrophobicContact CE2-CG 4.41Å
139	R	94.4	Very high	79.5	Confident	76 Å²	76	57 Å²	57	29%	0.287	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.2	173.5	-172.1	176.7	172.3	-104.7	-18.2	108.9	G39 Y40 N72 E141	G39-R139 CarbonylContact O-C 3.49Å; G39-R139 VanDerWaalsContact O-CA 3.31Å; G39-R139 WeakPolarHBondContact O-CA 3.09Å; G39-R139 WeakPolarHBondContact O-CG 3.21Å; Y40-R139 HydrophobicContact CD1-CB 3.81Å; Y40-R139 HydrophobicContact CD1-CG 4.13Å; Y40-R139 HydrophobicContact CE1-CB 3.63Å; Y40-R139 HydrophobicContact CE1-CG 3.77Å; Y40-R139 HydrophobicContact CE2-CG 4.42Å; N72-R139 PolarHBondContact N-O 2.91Å; N72-R139 PolarHBondContact O-N 2.93Å; R139-E141 IonicContact CZ-OE1 2.65Å; R139-E141 VanDerWaalsContact CZ-OE1 3.3Å; R139-E141 IonicContact CZ-OE2 3.34Å; R139-E141 IonicContact NH1-OE1 3.78Å; R139-E141 PolarHBondContact NH1-OE1 2.66Å; R139-E141 IonicContact NH1-OE2 3.38Å; R139-E141 PolarHBondContact NH1-OE2 2.89Å; R139-E141 IonicContact NH2-OE1 3.7Å; R139-E141 PolarHBondContact NH2-OE1 2.9Å; R139-E141 IonicContact NH2-OE2 2.68Å; R139-E141 PolarHBondContact NH2-OE2 3.23Å
140	Y	94.1	Very high	78.9	Confident	20 Å²	20	48.7 Å²	48.7	8%	0.078	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.5	175.4	65.8	-95.5	0	0	0	111	L33 A35 P38 G39 I41 I60 V70	L33-Y140 HydrophobicContact CD1-CE1 3.96Å; A35-Y140 HydrophobicContact CB-CD2 4.46Å; P38-Y140 CarbonylContact C-O 3.56Å; P38-Y140 VanDerWaalsContact CA-O 3.27Å; P38-Y140 WeakPolarHBondContact CA-O 3.4Å; G39-Y140 VanDerWaalsContact C-CE1 3.42Å; G39-Y140 PolarHBondContact N-O 2.75Å; G39-Y140 PolarHBondContact O-N 3.47Å; I41-Y140 HydrophobicContact CD1-CD1 4.1Å; I41-Y140 HydrophobicContact CD1-CE1 4.3Å; I41-Y140 HydrophobicContact CG1-CD1 3.95Å; I41-Y140 HydrophobicContact CG1-CE1 3.91Å; I60-Y140 HydrophobicContact CD1-CD1 4.02Å; I60-Y140 HydrophobicContact CD1-CD2 4.42Å; I60-Y140 HydrophobicContact CD1-CG 3.8Å; I60-Y140 HydrophobicContact CG1-CD1 4.43Å; I60-Y140 HydrophobicContact CG1-CG 4.3Å; I60-Y140 HydrophobicContact CG2-CD2 3.67Å; I60-Y140 HydrophobicContact CG2-CE2 4.06Å; I60-Y140 HydrophobicContact CG2-CG 4.16Å; V70-Y140 WeakPolarHBondContact O-CA 3.3Å
141	E	90.2	Very high	79	Confident	50 Å²	50	53.6 Å²	53.6	23%	0.234	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164.9	171.7	64.4	-161.4	138.7	0	0	111.9	P38 V70 R139 F143	P38-E141 HydrophobicContact CB-CB 3.9Å; V70-E141 HydrophobicContact CG1-CG 3.76Å; V70-E141 PolarHBondContact N-O 2.75Å; V70-E141 PolarHBondContact O-N 2.89Å; V70-E141 VanDerWaalsContact O-N 3.16Å; R139-E141 IonicContact CZ-OE1 2.65Å; R139-E141 VanDerWaalsContact CZ-OE1 3.3Å; R139-E141 IonicContact CZ-OE2 3.34Å; R139-E141 IonicContact NH1-OE1 3.78Å; R139-E141 PolarHBondContact NH1-OE1 2.66Å; R139-E141 IonicContact NH1-OE2 3.38Å; R139-E141 PolarHBondContact NH1-OE2 2.89Å; R139-E141 IonicContact NH2-OE1 3.7Å; R139-E141 PolarHBondContact NH2-OE1 2.9Å; R139-E141 IonicContact NH2-OE2 2.68Å; R139-E141 PolarHBondContact NH2-OE2 3.23Å; E141-F143 PolarHBondContact O-N 2.96Å
142	I	86.6	Confident	79	Confident	30 Å²	30	53.6 Å²	53.6	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	125.3	174.3	-67.5	153.8	0	0	0	109.7	A35 P63 Q67 R68 K144	A35-I142 HydrophobicContact CB-CG1 3.95Å; A35-I142 VanDerWaalsContact O-CD1 3.29Å; A35-I142 WeakPolarHBondContact O-CD1 3.28Å; A35-I142 WeakPolarHBondContact O-CG1 3.03Å; P63-I142 HydrophobicContact CG-CD1 4.25Å; Q67-I142 HydrophobicContact CB-CG2 4.12Å; Q67-I142 HydrophobicContact CG-CG2 4.2Å; Q67-I142 VanDerWaalsContact OE1-CD1 3.23Å; R68-I142 CarbonylContact O-C 3.45Å; R68-I142 WeakPolarHBondContact O-CA 3.47Å; I142-K144 HydrophobicContact CG2-CG 4.16Å; I142-K144 PolarHBondContact O-N 3.18Å
143	F	79	Confident	79	Confident	51 Å²	51	55.2 Å²	55.2	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	102.3	172.8	-175.1	-111.1	0	0	0	109.6	R68 V70 I115 E141 T145	R68-F143 HydrophobicContact CB-CB 4.06Å; R68-F143 HydrophobicContact CB-CD1 4.3Å; R68-F143 PolarHBondContact O-N 2.93Å; V70-F143 HydrophobicContact CB-CB 4.11Å; V70-F143 HydrophobicContact CB-CD2 4.02Å; V70-F143 HydrophobicContact CB-CG 4.46Å; V70-F143 HydrophobicContact CG1-CB 4.23Å; V70-F143 HydrophobicContact CG1-CD2 4.23Å; I115-F143 HydrophobicContact CD1-CD2 4.12Å; I115-F143 HydrophobicContact CD1-CE1 4.24Å; I115-F143 HydrophobicContact CD1-CE2 3.65Å; I115-F143 HydrophobicContact CD1-CZ 3.73Å; I115-F143 HydrophobicContact CG1-CD2 4.25Å; I115-F143 HydrophobicContact CG1-CE2 4.29Å; I115-F143 HydrophobicContact CG2-CB 4.25Å; I115-F143 HydrophobicContact CG2-CD1 3.71Å; I115-F143 HydrophobicContact CG2-CD2 4.34Å; I115-F143 HydrophobicContact CG2-CE1 4.1Å; I115-F143 HydrophobicContact CG2-CG 3.84Å; E141-F143 PolarHBondContact O-N 2.96Å; F143-T145 HydrophobicContact CD1-CG2 3.83Å; F143-T145 HydrophobicContact CE1-CG2 3.41Å; F143-T145 VanDerWaalsContact CE1-CG2 3.41Å; F143-T145 HydrophobicContact CZ-CG2 4.27Å
144	K	61.6	Low	79.1	Confident	172 Å²	172	55.6 Å²	55.6	75%	0.748	26%	0.262	S	S	*	.			trans	-91.1	103	-178	-62.7	179.4	-176.7	-179.8	0	110.5	I142	I142-K144 HydrophobicContact CG2-CG 4.16Å; I142-K144 PolarHBondContact O-N 3.18Å
145	T	55.6	Low	79	Confident	38 Å²	38	59.8 Å²	59.8	23%	0.233	29%	0.287	C	S	.	.			trans	-80.8	-23.6	174.2	44.6	0	0	0	0	114	F143 S147	F143-T145 HydrophobicContact CD1-CG2 3.83Å; F143-T145 HydrophobicContact CE1-CG2 3.41Å; F143-T145 VanDerWaalsContact CE1-CG2 3.41Å; F143-T145 HydrophobicContact CZ-CG2 4.27Å; T145-S147 PolarHBondContact O-N 3.28Å
146	G	52.4	Low	78.9	Confident	28 Å²	28	62.9 Å²	62.9	29%	0.289	31%	0.308	S	S	.	.			trans	67.7	-18.8	-178	0	0	0	0	0	116	E148	G146-E148 VanDerWaalsContact C-N 3.34Å; G146-E148 PolarHBondContact O-N 2.88Å
147	S	54.5	Low	78.7	Confident	23 Å²	23	67.5 Å²	67.5	16%	0.161	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-67.5	-25.1	-172.6	52.9	0	0	0	0	115	T145 F149 C150 F151 E175	T145-S147 PolarHBondContact O-N 3.28Å; S147-F149 PolarHBondContact O-N 2.9Å; S147-C150 PolarHBondContact O-N 2.98Å; S147-C150 PolarHBondContact O-SG 3.21Å; S147-C150 VanDerWaalsContact O-SG 3.34Å; S147-F151 VanDerWaalsContact O-CD2 3.29Å; S147-F151 WeakPolarHBondContact O-CD2 2.97Å; S147-F151 WeakPolarHBondContact O-CE2 3.33Å; S147-E175 VanDerWaalsContact CB-O 3.31Å; S147-E175 WeakPolarHBondContact CB-O 3.19Å
148	E	53.8	Low	78.7	Confident	108 Å²	108	70.1 Å²	70.1	51%	0.505	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-58.7	-17.8	-178.2	-52.2	-156.2	133.4	0	0	113.8	S66 G146	S66-E148 WeakPolarHBondContact CB-OE1 3.44Å; S66-E148 WeakPolarHBondContact CB-OE2 3.5Å; S66-E148 PolarHBondContact OG-OE2 2.86Å; G146-E148 VanDerWaalsContact C-N 3.34Å; G146-E148 PolarHBondContact O-N 2.88Å
149	F	54.9	Low	78.6	Confident	180 Å²	180	71.1 Å²	71.1	79%	0.789	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-106.9	-3.9	-176.5	-62.4	-77.1	0	0	0	115.3	S147	S147-F149 PolarHBondContact O-N 2.9Å
150	C	74.4	Confident	78.6	Confident	2 Å²	2	71 Å²	71	1%	0.014	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-2.1	-172.1	63.1	0	0	0	0	116.1	S147 R152 P164 C176	S147-C150 PolarHBondContact O-N 2.98Å; S147-C150 PolarHBondContact O-SG 3.21Å; S147-C150 VanDerWaalsContact O-SG 3.34Å; C150-R152 PolarHBondContact O-N 3.23Å; C150-P164 HydrophobicContact CB-CG 3.71Å; C150-C176 HydrophobicContact CB-CB 3.66Å; C150-C176 WeakPolarHBondContact CB-SG 3.48Å; C150-C176 WeakPolarHBondContact SG-CA 3.16Å; C150-C176 WeakPolarHBondContact SG-CB 3.32Å; C150-C176 CovalentContact SG-SG 2.02Å; C150-C176 PolarHBondContact SG-SG 3.03Å
151	F	81.6	Confident	78.6	Confident	123 Å²	123	70.1 Å²	70.1	54%	0.539	37%	0.367	S	S	.	.			trans	-72.1	109.5	166.2	-68.7	-82.9	0	0	0	110.3	S147 E175 S177	S147-F151 VanDerWaalsContact O-CD2 3.29Å; S147-F151 WeakPolarHBondContact O-CD2 2.97Å; S147-F151 WeakPolarHBondContact O-CE2 3.33Å; F151-E175 WeakPolarHBondContact CE2-O 3.48Å; F151-E175 VanDerWaalsContact CZ-O 3.25Å; F151-E175 WeakPolarHBondContact CZ-O 3.35Å; F151-S177 WeakPolarHBondContact CA-O 3.36Å
152	R	82.1	Confident	78.7	Confident	136 Å²	136	71.4 Å²	71.4	51%	0.513	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.1	-172.9	-59.3	-173.4	73.4	-171.7	2.2	113.6	C150 F154 S177 Y178 M179	C150-R152 PolarHBondContact O-N 3.23Å; R152-F154 HydrophobicContact CB-CE2 3.67Å; R152-F154 HydrophobicContact CB-CZ 3.91Å; R152-S177 PolarHBondContact N-O 2.85Å; R152-Y178 HydrophobicContact CB-CD1 4.23Å; R152-Y178 WeakPolarHBondContact O-CA 3.47Å; R152-M179 PolarHBondContact O-N 2.8Å
153	N	87	Confident	78.9	Confident	91 Å²	91	70 Å²	70	49%	0.487	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.6	175.6	-73.6	21.8	0	0	0	110.5	M179 M181	N153-M179 WeakPolarHBondContact CA-O 3.42Å; N153-M179 VanDerWaalsContact OD1-CE 3.23Å; N153-M179 WeakPolarHBondContact OD1-CE 3.42Å; N153-M181 HydrophobicContact CB-CE 3.64Å; N153-M181 WeakPolarHBondContact ND2-CE 3.39Å
154	F	89.8	Confident	79.3	Confident	16 Å²	16	69 Å²	69	7%	0.07	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.7	-176.4	-64.1	-87.9	0	0	0	110.5	R152 I161 Y178 M179 I180 M181 Y265	R152-F154 HydrophobicContact CB-CE2 3.67Å; R152-F154 HydrophobicContact CB-CZ 3.91Å; F154-I161 HydrophobicContact CD2-CD1 4.09Å; F154-I161 HydrophobicContact CD2-CG1 4.33Å; F154-I161 HydrophobicContact CE1-CG1 4.12Å; F154-I161 HydrophobicContact CE2-CD1 4.01Å; F154-I161 HydrophobicContact CE2-CG1 3.91Å; F154-I161 HydrophobicContact CZ-CD1 4.39Å; F154-I161 HydrophobicContact CZ-CG1 3.79Å; F154-Y178 HydrophobicContact CE2-CD1 4.05Å; F154-Y178 HydrophobicContact CZ-CD1 4.45Å; F154-M179 PolarHBondContact N-O 3.45Å; F154-I180 HydrophobicContact CB-CG1 4.31Å; F154-M181 PolarHBondContact O-N 2.84Å; F154-Y265 HydrophobicContact CB-CE1 4.05Å; F154-Y265 HydrophobicContact CB-CE2 4.31Å; F154-Y265 AromaticContact CD1-CE1 3.6Å; F154-Y265 HydrophobicContact CD1-CE1 3.6Å; F154-Y265 AromaticContact CD1-CZ 3.91Å; F154-Y265 HydrophobicContact CE1-CE1 4.3Å; F154-Y265 AromaticContact CG-CE1 3.97Å; F154-Y265 HydrophobicContact CG-CE1 3.97Å
155	T	89.9	Confident	80.2	Confident	99 Å²	99	63.2 Å²	63.2	61%	0.607	35%	0.354	S	S	*	.			trans	-128.9	-0.8	179.7	53.6	0	0	0	0	113	M181	T155-M181 HydrophobicContact CG2-CB 4.31Å; T155-M181 HydrophobicContact CG2-CE 3.85Å
156	S	91.3	Very high	81.6	Confident	65 Å²	65	64.1 Å²	64.1	46%	0.455	36%	0.355	S	S	.	.	S	Bend	trans	-71.2	151.9	175.3	-60.6	0	0	0	0	110.6	S158 Y265 I267	S156-S158 PolarHBondContact O-N 3.37Å; S156-S158 VanDerWaalsContact O-N 3.09Å; S156-Y265 WeakPolarHBondContact O-CE2 3.33Å; S156-I267 WeakPolarHBondContact O-CD1 3.32Å
157	P	90.6	Very high	83.3	Confident	96 Å²	96	67.4 Å²	67.4	62%	0.623	37%	0.371	S	S	*	.	S	Bend	trans	-60.3	-21.5	178	-26.6	35.8	0	0	0	114.9	N266 I267	P157-N266 PolarHBondContact O-OD1 2.04Å; P157-I267 PolarHBondContact O-N 3.22Å
158	S	95.2	Very high	84.7	Confident	67 Å²	67	72.4 Å²	72.4	47%	0.469	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	165.1	168	52.8	0	0	0	0	111	S156 Y265	S156-S158 PolarHBondContact O-N 3.37Å; S156-S158 VanDerWaalsContact O-N 3.09Å; S158-Y265 VanDerWaalsContact CA-O 3.31Å; S158-Y265 WeakPolarHBondContact CA-O 3.36Å; S158-Y265 VanDerWaalsContact CB-O 3.32Å; S158-Y265 WeakPolarHBondContact CB-O 3.28Å; S158-Y265 PolarHBondContact O-OH 2.73Å
159	G	92.2	Very high	86	Confident	23 Å²	23	72.8 Å²	72.8	24%	0.237	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-175.4	174.5	0	0	0	0	0	114	R264 Y265	G159-R264 WeakPolarHBondContact O-CA 3.46Å; G159-Y265 VanDerWaalsContact C-CE1 3.46Å; G159-Y265 PolarHBondContact N-O 3.21Å; G159-Y265 VanDerWaalsContact N-O 3.1Å; G159-Y265 VanDerWaalsContact O-CD1 3.28Å; G159-Y265 WeakPolarHBondContact O-CD1 3.3Å; G159-Y265 PolarHBondContact O-N 2.76Å
160	M	93.3	Very high	87.4	Confident	73 Å²	73	64.4 Å²	64.4	36%	0.36	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.4	177.8	-64.3	-58.4	-60.4	0	0	110.8	E162 L193 S262 A263 R264	M160-E162 HydrophobicContact CB-CG 4.33Å; M160-E162 HydrophobicContact CE-CG 4.49Å; M160-L193 HydrophobicContact CE-CD1 3.73Å; M160-L193 HydrophobicContact SD-CD1 4.45Å; M160-S262 WeakPolarHBondContact CE-OG 3.49Å; M160-A263 CarbonylContact C-O 3.59Å; M160-A263 WeakPolarHBondContact CA-O 3.2Å; M160-A263 WeakPolarHBondContact CE-O 3.24Å; M160-R264 HydrophobicContact CE-CB 4.45Å; M160-R264 HydrophobicContact SD-CB 3.69Å; M160-R264 HydrophobicContact SD-CG 4.08Å
161	I	93.9	Very high	87.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.3	171.7	-52.8	-178.6	0	0	0	106.6	F154 Y178 I180 L248 F261 A263 Y265	F154-I161 HydrophobicContact CD2-CD1 4.09Å; F154-I161 HydrophobicContact CD2-CG1 4.33Å; F154-I161 HydrophobicContact CE1-CG1 4.12Å; F154-I161 HydrophobicContact CE2-CD1 4.01Å; F154-I161 HydrophobicContact CE2-CG1 3.91Å; F154-I161 HydrophobicContact CZ-CD1 4.39Å; F154-I161 HydrophobicContact CZ-CG1 3.79Å; I161-Y178 HydrophobicContact CG2-CD1 3.51Å; I161-Y178 HydrophobicContact CG2-CD2 4.09Å; I161-Y178 HydrophobicContact CG2-CE1 3.92Å; I161-Y178 HydrophobicContact CG2-CE2 4.47Å; I161-Y178 HydrophobicContact CG2-CG 3.58Å; I161-I180 HydrophobicContact CD1-CD1 3.72Å; I161-I180 HydrophobicContact CD1-CG1 3.77Å; I161-L248 HydrophobicContact CD1-CD1 4.27Å; I161-F261 HydrophobicContact CG2-CE2 4.19Å; I161-A263 PolarHBondContact N-O 2.9Å; I161-A263 PolarHBondContact O-N 2.96Å; I161-Y265 HydrophobicContact CD1-CD1 3.95Å; I161-Y265 HydrophobicContact CG1-CD1 3.9Å; I161-Y265 HydrophobicContact CG1-CE1 4.27Å
162	E	92.7	Very high	87.7	Confident	77 Å²	77	64.5 Å²	64.5	36%	0.36	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.6	-170.3	-49.8	-171.9	114.6	0	0	109.6	M160 F166 Y178 F261 S262	M160-E162 HydrophobicContact CB-CG 4.33Å; M160-E162 HydrophobicContact CE-CG 4.49Å; E162-F166 HydrophobicContact CB-CB 4.09Å; E162-F166 HydrophobicContact CB-CD1 4.45Å; E162-F166 HydrophobicContact CB-CG 4.41Å; E162-Y178 PolarHBondContact O-OH 2.83Å; E162-F261 VanDerWaalsContact CA-O 3.31Å; E162-F261 WeakPolarHBondContact CA-O 3.38Å; E162-S262 WeakPolarHBondContact OE1-CB 3.1Å; E162-S262 PolarHBondContact OE1-OG 3.07Å
163	S	91.3	Very high	87.4	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.014	36%	0.359	C	S	.	.			trans	-63	146.3	174.6	48.2	0	0	0	0	111.2	G165 F166 G260 F261	S163-G165 PolarHBondContact O-N 2.92Å; S163-F166 VanDerWaalsContact O-CB 3.31Å; S163-F166 WeakPolarHBondContact O-CB 3.46Å; S163-F166 PolarHBondContact O-N 2.9Å; S163-G260 WeakPolarHBondContact OG-CA 3.42Å; S163-F261 PolarHBondContact N-O 3.48Å; S163-F261 PolarHBondContact OG-N 2.89Å; S163-F261 PolarHBondContact OG-O 3.1Å
164	P	87.2	Confident	87.2	Confident	30 Å²	30	57 Å²	57	20%	0.195	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	122.4	-175.7	-22.8	35.8	0	0	0	111.5	C150 P171 L174	C150-P164 HydrophobicContact CB-CG 3.71Å; P164-P171 WeakPolarHBondContact O-CD 3.49Å; P164-L174 HydrophobicContact CB-CD1 4.46Å; P164-L174 HydrophobicContact CG-CD1 3.9Å; P164-L174 HydrophobicContact CG-CD2 4.47Å
165	G	79.9	Confident	87	Confident	50 Å²	50	61.1 Å²	61.1	52%	0.515	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	-10	-177.4	0	0	0	0	0	115.7	S163 D168	S163-G165 PolarHBondContact O-N 2.92Å; G165-D168 CarbonylContact C-O 3.55Å; G165-D168 WeakPolarHBondContact O-CA 3.32Å; G165-D168 WeakPolarHBondContact O-CB 3.38Å; G165-D168 PolarHBondContact O-N 2.87Å
166	F	84.9	Confident	86.9	Confident	56 Å²	56	56.5 Å²	56.5	25%	0.246	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	134.1	-177.5	-171.2	-93.7	0	0	0	112.7	E162 S163 T194 D259	E162-F166 HydrophobicContact CB-CB 4.09Å; E162-F166 HydrophobicContact CB-CD1 4.45Å; E162-F166 HydrophobicContact CB-CG 4.41Å; S163-F166 VanDerWaalsContact O-CB 3.31Å; S163-F166 WeakPolarHBondContact O-CB 3.46Å; S163-F166 PolarHBondContact O-N 2.9Å; F166-T194 WeakPolarHBondContact CE2-OG1 3.2Å; F166-T194 HydrophobicContact CZ-CG2 4.36Å; F166-T194 VanDerWaalsContact CZ-OG1 3.27Å; F166-T194 WeakPolarHBondContact CZ-OG1 3.34Å; F166-D259 VanDerWaalsContact CD2-O 3.31Å; F166-D259 WeakPolarHBondContact CD2-O 3.13Å
167	P	90.1	Very high	86.8	Confident	98 Å²	98	54.4 Å²	54.4	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.2	5.9	7.9	37.9	-38.2	0	0	0	115.3
168	D	83.9	Confident	86.8	Confident	128 Å²	128	50 Å²	50	68%	0.684	28%	0.283	S	S	*	.	S	Bend	trans	-74	161.2	167.2	-70.6	-48.3	0	0	0	110.3	G165	G165-D168 CarbonylContact C-O 3.55Å; G165-D168 WeakPolarHBondContact O-CA 3.32Å; G165-D168 WeakPolarHBondContact O-CB 3.38Å; G165-D168 PolarHBondContact O-N 2.87Å
169	K	79.9	Confident	86.6	Confident	116 Å²	116	49 Å²	49	50%	0.504	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-61.4	141	-175.4	-64.6	-166.4	159.9	-148.8	0	113.1	A257 K258 D259	K169-A257 HydrophobicContact CB-CB 4.21Å; K169-A257 WeakPolarHBondContact CD-O 3.01Å; K169-A257 PolarHBondContact NZ-O 3.21Å; K169-K258 VanDerWaalsContact CA-O 3.27Å; K169-K258 WeakPolarHBondContact CA-O 3.44Å; K169-K258 WeakPolarHBondContact CB-O 3.47Å; K169-K258 WeakPolarHBondContact CG-O 3.42Å; K169-D259 WeakPolarHBondContact CE-OD1 3.31Å
170	Y	84.1	Confident	86.6	Confident	4 Å²	4	48 Å²	48	2%	0.016	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-68.8	148.7	-180	50.7	-100	0	0	0	113	L197 E198 D212 F250 T252 A257 K258 G260	Y170-L197 HydrophobicContact CD1-CD2 4.27Å; Y170-L197 HydrophobicContact CE1-CD2 3.54Å; Y170-L197 WeakPolarHBondContact OH-CA 3.1Å; Y170-E198 PolarHBondContact OH-N 2.83Å; Y170-D212 VanDerWaalsContact CE2-OD2 3.23Å; Y170-D212 WeakPolarHBondContact CE2-OD2 3.43Å; Y170-D212 VanDerWaalsContact CZ-OD2 3.24Å; Y170-D212 PolarHBondContact OH-OD2 3.11Å; Y170-F250 HydrophobicContact CD1-CZ 4.07Å; Y170-F250 HydrophobicContact CD2-CZ 4.14Å; Y170-F250 HydrophobicContact CE1-CZ 4.42Å; Y170-F250 HydrophobicContact CE2-CZ 4.48Å; Y170-F250 HydrophobicContact CG-CE1 4.43Å; Y170-F250 AromaticContact CG-CZ 3.91Å; Y170-F250 HydrophobicContact CG-CZ 3.91Å; Y170-T252 HydrophobicContact CD2-CG2 3.52Å; Y170-T252 HydrophobicContact CE2-CG2 3.63Å; Y170-T252 HydrophobicContact CG-CG2 4.35Å; Y170-A257 HydrophobicContact CD2-CB 4Å; Y170-A257 HydrophobicContact CE2-CB 3.98Å; Y170-A257 WeakPolarHBondContact O-CB 3.47Å; Y170-K258 WeakPolarHBondContact CD1-O 3.32Å; Y170-K258 HydrophobicContact CE1-CB 3.71Å; Y170-K258 VanDerWaalsContact CE1-O 3.28Å; Y170-K258 WeakPolarHBondContact CE1-O 3.27Å; Y170-K258 PolarHBondContact N-O 3.47Å; Y170-K258 WeakPolarHBondContact OH-CB 3.25Å; Y170-K258 PolarHBondContact OH-N 3.31Å; Y170-G260 VanDerWaalsContact CD1-CA 3.49Å
171	P	82.9	Confident	86.5	Confident	53 Å²	53	47.4 Å²	47.4	34%	0.344	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-59.6	155.1	168.3	-25.6	32.2	0	0	0	114.8	P164 L174 T252	P164-P171 WeakPolarHBondContact O-CD 3.49Å; P171-L174 HydrophobicContact CB-CD1 4.18Å; P171-L174 HydrophobicContact CB-CD2 4.05Å; P171-L174 HydrophobicContact CB-CG 4.05Å; P171-L174 HydrophobicContact CG-CD1 4.45Å; P171-L174 HydrophobicContact CG-CD2 4.46Å; P171-L174 WeakPolarHBondContact O-CD1 3.4Å; P171-L174 WeakPolarHBondContact O-CG 3.4Å; P171-T252 PolarHBondContact O-OG1 3.28Å
172	H	80.4	Confident	86.2	Confident	73 Å²	73	48.1 Å²	48.1	34%	0.338	26%	0.264	S	S	.	.	S	Bend	trans	-80.4	157.7	170.7	-56.2	-63.1	0	0	0	112	L174 D253 A255 A257	H172-L174 VanDerWaalsContact C-N 3.29Å; H172-L174 PolarHBondContact O-N 3.04Å; H172-D253 CarbonylContact C-O 3.53Å; H172-D253 VanDerWaalsContact CA-O 3.3Å; H172-D253 WeakPolarHBondContact CA-O 3.47Å; H172-D253 VanDerWaalsContact CB-O 3.29Å; H172-D253 WeakPolarHBondContact CB-O 3.47Å; H172-A255 PolarHBondContact CE1-O 3.45Å; H172-A255 VanDerWaalsContact ND1-C 3.28Å; H172-A255 PolarHBondContact ND1-O 3.04Å; H172-A257 PolarHBondContact CE1-N 2.94Å
173	N	75.8	Confident	85.8	Confident	70 Å²	70	47.4 Å²	47.4	37%	0.374	27%	0.266	S	S	.	.	S	Bend	trans	58	33.9	178.3	-50.6	-87.9	0	0	0	114.2	T252 D253	N173-T252 WeakPolarHBondContact CA-O 3.3Å; N173-T252 PolarHBondContact N-O 2.05Å; N173-T252 PolarHBondContact N-OG1 3.25Å; N173-D253 PolarHBondContact N-O 2.82Å
174	L	82.4	Confident	85.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.			trans	-77.9	138.9	176.1	-70.3	174.5	0	0	0	111.3	P164 P171 H172 F250 H251 T252	P164-L174 HydrophobicContact CB-CD1 4.46Å; P164-L174 HydrophobicContact CG-CD1 3.9Å; P164-L174 HydrophobicContact CG-CD2 4.47Å; P171-L174 HydrophobicContact CB-CD1 4.18Å; P171-L174 HydrophobicContact CB-CD2 4.05Å; P171-L174 HydrophobicContact CB-CG 4.05Å; P171-L174 HydrophobicContact CG-CD1 4.45Å; P171-L174 HydrophobicContact CG-CD2 4.46Å; P171-L174 WeakPolarHBondContact O-CD1 3.4Å; P171-L174 WeakPolarHBondContact O-CG 3.4Å; H172-L174 VanDerWaalsContact C-N 3.29Å; H172-L174 PolarHBondContact O-N 3.04Å; L174-F250 HydrophobicContact CD1-CD1 4.29Å; L174-F250 HydrophobicContact CD1-CE1 3.75Å; L174-H251 WeakPolarHBondContact O-CA 3.34Å; L174-T252 HydrophobicContact CB-CG2 4.17Å; L174-T252 VanDerWaalsContact CB-OG1 3.3Å; L174-T252 WeakPolarHBondContact CB-OG1 3.26Å; L174-T252 HydrophobicContact CD1-CG2 4.18Å; L174-T252 PolarHBondContact N-OG1 2.52Å; L174-T252 PolarHBondContact O-N 3.2Å
175	E	85.3	Confident	84.6	Confident	103 Å²	103	53.3 Å²	53.3	48%	0.481	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	103.4	161.5	-77.9	-71.1	-174.6	0	0	106.9	S147 F151 H251	S147-E175 VanDerWaalsContact CB-O 3.31Å; S147-E175 WeakPolarHBondContact CB-O 3.19Å; F151-E175 WeakPolarHBondContact CE2-O 3.48Å; F151-E175 VanDerWaalsContact CZ-O 3.25Å; F151-E175 WeakPolarHBondContact CZ-O 3.35Å; E175-H251 VanDerWaalsContact CD-ND1 3.33Å; E175-H251 IonicContact OE1-CE1 3.35Å; E175-H251 PolarHBondContact OE1-CE1 2.91Å; E175-H251 VanDerWaalsContact OE1-CE1 3.31Å; E175-H251 IonicContact OE1-ND1 2.75Å; E175-H251 PolarHBondContact OE1-ND1 2.91Å; E175-H251 IonicContact OE2-ND1 3.66Å
176	C	87.2	Confident	84.9	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.014	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.8	-171.8	-65.4	0	0	0	0	111.3	C150 Y178 S249 F250	C150-C176 HydrophobicContact CB-CB 3.66Å; C150-C176 WeakPolarHBondContact CB-SG 3.48Å; C150-C176 WeakPolarHBondContact SG-CA 3.16Å; C150-C176 WeakPolarHBondContact SG-CB 3.32Å; C150-C176 CovalentContact SG-SG 2.02Å; C150-C176 PolarHBondContact SG-SG 3.03Å; C176-Y178 HydrophobicContact CB-CE2 3.9Å; C176-S249 CarbonylContact O-C 3.56Å; C176-S249 WeakPolarHBondContact O-CA 3.18Å; C176-F250 HydrophobicContact CB-CB 4.09Å; C176-F250 HydrophobicContact CB-CD1 4.31Å; C176-F250 PolarHBondContact N-O 3.1Å; C176-F250 PolarHBondContact O-N 2.87Å
177	S	88.8	Confident	85.2	Confident	20 Å²	20	52.5 Å²	52.5	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.2	176.3	-168.7	0	0	0	0	112.4	F151 R152 L248	F151-S177 WeakPolarHBondContact CA-O 3.36Å; R152-S177 PolarHBondContact N-O 2.85Å; S177-L248 WeakPolarHBondContact CA-O 3.45Å
178	Y	91.9	Very high	85.3	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.8	-179.4	-50	-89.7	0	0	0	109	R152 F154 I161 E162 C176 S247 L248 F250 F261	R152-Y178 HydrophobicContact CB-CD1 4.23Å; R152-Y178 WeakPolarHBondContact O-CA 3.47Å; F154-Y178 HydrophobicContact CE2-CD1 4.05Å; F154-Y178 HydrophobicContact CZ-CD1 4.45Å; I161-Y178 HydrophobicContact CG2-CD1 3.51Å; I161-Y178 HydrophobicContact CG2-CD2 4.09Å; I161-Y178 HydrophobicContact CG2-CE1 3.92Å; I161-Y178 HydrophobicContact CG2-CE2 4.47Å; I161-Y178 HydrophobicContact CG2-CG 3.58Å; E162-Y178 PolarHBondContact O-OH 2.83Å; C176-Y178 HydrophobicContact CB-CE2 3.9Å; Y178-S247 CarbonylContact O-C 3.53Å; Y178-S247 WeakPolarHBondContact O-CA 3.46Å; Y178-L248 HydrophobicContact CD2-CB 4.22Å; Y178-L248 PolarHBondContact N-O 2.97Å; Y178-L248 PolarHBondContact O-N 3.04Å; Y178-F250 HydrophobicContact CE2-CB 4.1Å; Y178-F261 AromaticContact CE2-CZ 3.96Å; Y178-F261 HydrophobicContact CE2-CZ 3.96Å
179	M	90	Very high	85.8	Confident	47 Å²	47	43 Å²	43	23%	0.232	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.1	-175.6	-64.9	-170.9	-68.6	0	0	111.4	R152 N153 F154 L220 L245	R152-M179 PolarHBondContact O-N 2.8Å; N153-M179 WeakPolarHBondContact CA-O 3.42Å; N153-M179 VanDerWaalsContact OD1-CE 3.23Å; N153-M179 WeakPolarHBondContact OD1-CE 3.42Å; F154-M179 PolarHBondContact N-O 3.45Å; M179-L220 HydrophobicContact SD-CD2 4.09Å; M179-L245 HydrophobicContact CB-CD1 4.3Å
180	I	93.8	Very high	86.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.3	175.8	-52.6	158.2	0	0	0	108.5	F154 I161 I188 L190 L245 L246 L248 Y265 I267	F154-I180 HydrophobicContact CB-CG1 4.31Å; I161-I180 HydrophobicContact CD1-CD1 3.72Å; I161-I180 HydrophobicContact CD1-CG1 3.77Å; I180-I188 HydrophobicContact CB-CD1 4.42Å; I180-I188 HydrophobicContact CB-CG2 4.48Å; I180-I188 HydrophobicContact CD1-CG2 4.29Å; I180-I188 HydrophobicContact CG2-CD1 4.05Å; I180-I188 HydrophobicContact CG2-CG1 4.37Å; I180-I188 HydrophobicContact CG2-CG2 3.9Å; I180-L190 HydrophobicContact CD1-CD1 4.46Å; I180-L245 WeakPolarHBondContact O-CA 3.21Å; I180-L246 HydrophobicContact CB-CB 4.46Å; I180-L246 WeakPolarHBondContact CB-O 3.31Å; I180-L246 HydrophobicContact CD1-CB 4.47Å; I180-L246 HydrophobicContact CD1-CD2 4.16Å; I180-L246 PolarHBondContact N-O 2.89Å; I180-L246 PolarHBondContact O-N 3.03Å; I180-L248 HydrophobicContact CD1-CD1 4.03Å; I180-Y265 HydrophobicContact CD1-CD1 4.47Å; I180-Y265 HydrophobicContact CD1-CD2 4.45Å; I180-Y265 HydrophobicContact CD1-CG 3.98Å; I180-Y265 HydrophobicContact CG1-CD2 4.4Å; I180-Y265 HydrophobicContact CG1-CG 4.22Å; I180-Y265 HydrophobicContact CG2-CD2 3.65Å; I180-Y265 HydrophobicContact CG2-CE2 3.99Å; I180-Y265 HydrophobicContact CG2-CG 4.27Å; I180-I267 HydrophobicContact CG2-CD1 4.06Å; I180-I267 HydrophobicContact CG2-CG1 4.42Å
181	M	89.9	Confident	87.1	Confident	61 Å²	61	38.1 Å²	38.1	30%	0.3	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.9	179.1	-70	166.5	-77	0	0	110	N153 F154 T155 L245	N153-M181 HydrophobicContact CB-CE 3.64Å; N153-M181 WeakPolarHBondContact ND2-CE 3.39Å; F154-M181 PolarHBondContact O-N 2.84Å; T155-M181 HydrophobicContact CG2-CB 4.31Å; T155-M181 HydrophobicContact CG2-CE 3.85Å; M181-L245 HydrophobicContact CG-CD1 3.88Å
182	A	88.9	Confident	87.7	Confident	17 Å²	17	36.5 Å²	36.5	14%	0.14	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-98.7	141.6	174.6	0	0	0	0	0	111.4	M186 I188 G244 I267	A182-M186 HydrophobicContact CB-CB 4.27Å; A182-I188 HydrophobicContact CB-CD1 3.82Å; A182-I188 HydrophobicContact CB-CG1 3.62Å; A182-G244 PolarHBondContact N-O 2.84Å; A182-I267 HydrophobicContact CB-CD1 4.44Å; A182-I267 HydrophobicContact CB-CG2 3.87Å
183	P	83.7	Confident	88.5	Confident	62 Å²	62	37.1 Å²	37.1	40%	0.403	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-59.2	163.2	165	-23	34.1	0	0	0	112.7	M186	P183-M186 HydrophobicContact CB-CE 4.13Å; P183-M186 HydrophobicContact CB-CG 4.42Å; P183-M186 HydrophobicContact CB-SD 4.09Å; P183-M186 HydrophobicContact CG-CE 4.15Å; P183-M186 HydrophobicContact CG-SD 3.87Å; P183-M186 PolarHBondContact O-N 2.99Å
184	P	76.4	Confident	89.4	Confident	82 Å²	82	36.4 Å²	36.4	53%	0.532	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	147.1	171.2	-26.5	35.4	0	0	0	112.9	M186	P184-M186 PolarHBondContact O-N 3.36Å
185	H	76.9	Confident	90	Very high	73 Å²	73	37 Å²	37	34%	0.338	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	27	-178.3	-44.5	-49.2	0	0	0	115.2	K270 D437	H185-K270 WeakPolarHBondContact O-CB 3.49Å; H185-K270 PolarHBondContact O-N 2.91Å; H185-D437 IonicContact CE1-OD2 3.61Å; H185-D437 PolarHBondContact CE1-OD2 3.26Å; H185-D437 IonicContact ND1-OD2 2.68Å; H185-D437 PolarHBondContact ND1-OD2 3.35Å
186	M	86.6	Confident	90.5	Very high	61 Å²	61	33.6 Å²	33.6	30%	0.3	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.6	169.7	-55.7	-167.8	-175.4	0	0	111.9	A182 P183 P184 I267 T268	A182-M186 HydrophobicContact CB-CB 4.27Å; P183-M186 HydrophobicContact CB-CE 4.13Å; P183-M186 HydrophobicContact CB-CG 4.42Å; P183-M186 HydrophobicContact CB-SD 4.09Å; P183-M186 HydrophobicContact CG-CE 4.15Å; P183-M186 HydrophobicContact CG-SD 3.87Å; P183-M186 PolarHBondContact O-N 2.99Å; P184-M186 PolarHBondContact O-N 3.36Å; M186-I267 HydrophobicContact CB-CG2 3.64Å; M186-I267 HydrophobicContact CG-CG2 4.31Å; M186-I267 HydrophobicContact SD-CG2 3.76Å; M186-T268 CarbonylContact C-O 3.52Å; M186-T268 VanDerWaalsContact CA-O 3.3Å; M186-T268 WeakPolarHBondContact CA-O 3.26Å
187	D	89.7	Confident	90.8	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.15	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.5	176.8	-65.9	-34.5	0	0	0	110.2	S241 S242 I267 T268 K270	D187-S241 WeakPolarHBondContact CA-O 3.3Å; D187-S242 WeakPolarHBondContact OD1-CA 3.33Å; D187-S242 WeakPolarHBondContact OD1-CB 3.42Å; D187-I267 WeakPolarHBondContact O-CA 3.19Å; D187-T268 PolarHBondContact N-O 3.01Å; D187-T268 PolarHBondContact O-N 3.17Å; D187-K270 IonicContact OD1-NZ 2.78Å; D187-K270 PolarHBondContact OD1-NZ 2.88Å; D187-K270 IonicContact OD2-NZ 3.42Å; D187-K270 PolarHBondContact OD2-NZ 2.94Å
188	I	93.4	Very high	90.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.8	-178.1	-57.3	168.6	0	0	0	109.2	I180 A182 Q240 S241 L246	I180-I188 HydrophobicContact CB-CD1 4.42Å; I180-I188 HydrophobicContact CB-CG2 4.48Å; I180-I188 HydrophobicContact CD1-CG2 4.29Å; I180-I188 HydrophobicContact CG2-CD1 4.05Å; I180-I188 HydrophobicContact CG2-CG1 4.37Å; I180-I188 HydrophobicContact CG2-CG2 3.9Å; A182-I188 HydrophobicContact CB-CD1 3.82Å; A182-I188 HydrophobicContact CB-CG1 3.62Å; I188-Q240 CarbonylContact O-C 3.55Å; I188-Q240 WeakPolarHBondContact O-CA 3.21Å; I188-S241 PolarHBondContact N-O 2.99Å; I188-S241 PolarHBondContact O-N 3.3Å; I188-L246 HydrophobicContact CD1-CB 3.89Å; I188-L246 HydrophobicContact CG2-CB 4.13Å; I188-L246 HydrophobicContact CG2-CD2 3.8Å
189	T	94.5	Very high	90.6	Very high	25 Å²	25	36.7 Å²	36.7	15%	0.153	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.9	171.4	-58.3	0	0	0	0	110.1	T191 E238 I239 Q240 Y265 N266	T189-T191 HydrophobicContact CG2-CG2 4.32Å; T189-E238 HydrophobicContact CG2-CG 3.8Å; T189-I239 CarbonylContact C-O 3.55Å; T189-I239 WeakPolarHBondContact CA-O 3.42Å; T189-Q240 HydrophobicContact CG2-CG 4.18Å; T189-Y265 CarbonylContact O-C 3.56Å; T189-Y265 VanDerWaalsContact O-CA 3.29Å; T189-Y265 WeakPolarHBondContact O-CA 3.45Å; T189-N266 PolarHBondContact N-O 2.91Å; T189-N266 PolarHBondContact O-N 2.87Å
190	L	95.9	Very high	90	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.4	176	177.4	68.8	0	0	0	110.1	I180 F192 V216 I239 L246 L248 A263	I180-L190 HydrophobicContact CD1-CD1 4.46Å; L190-F192 HydrophobicContact CD2-CE2 3.92Å; L190-F192 HydrophobicContact CD2-CZ 4.08Å; L190-F192 HydrophobicContact CG-CE2 4.2Å; L190-V216 HydrophobicContact CD2-CG1 4.32Å; L190-I239 HydrophobicContact CB-CB 4.34Å; L190-I239 PolarHBondContact N-O 3.02Å; L190-I239 PolarHBondContact O-N 2.76Å; L190-L246 HydrophobicContact CB-CD2 3.81Å; L190-L246 HydrophobicContact CD2-CD2 4Å; L190-L248 HydrophobicContact CD2-CD1 4.18Å; L190-L248 HydrophobicContact CD2-CD2 4.06Å; L190-L248 HydrophobicContact CD2-CG 4.3Å; L190-A263 HydrophobicContact CD1-CB 4.02Å
191	T	95.6	Very high	88.8	Confident	19 Å²	19	39.9 Å²	39.9	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.9	-179.1	49.9	0	0	0	0	110.7	T189 E238 A263 R264	T189-T191 HydrophobicContact CG2-CG2 4.32Å; T191-E238 HydrophobicContact CG2-CB 4.45Å; T191-E238 HydrophobicContact CG2-CG 3.81Å; T191-E238 VanDerWaalsContact CG2-OE2 3.28Å; T191-E238 WeakPolarHBondContact CG2-OE2 3.28Å; T191-A263 CarbonylContact O-C 3.59Å; T191-A263 WeakPolarHBondContact O-CA 2.98Å; T191-R264 PolarHBondContact N-O 3.47Å; T191-R264 PolarHBondContact O-N 2.8Å; T191-R264 PolarHBondContact OG1-NE 2.88Å; T191-R264 PolarHBondContact OG1-NH2 2.9Å; T191-R264 PolarHBondContact OG1-O 2.76Å
192	F	95.8	Very high	87.6	Confident	19 Å²	19	44.2 Å²	44.2	8%	0.083	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.7	173	-70.6	-89.9	0	0	0	110.7	L190 F195 L214 I235 P236 L248 F261 A263	L190-F192 HydrophobicContact CD2-CE2 3.92Å; L190-F192 HydrophobicContact CD2-CZ 4.08Å; L190-F192 HydrophobicContact CG-CE2 4.2Å; F192-F195 HydrophobicContact CD1-CD2 4.12Å; F192-F195 HydrophobicContact CE1-CD2 4.31Å; F192-L214 HydrophobicContact CE1-CD2 3.4Å; F192-L214 VanDerWaalsContact CE1-CD2 3.4Å; F192-L214 HydrophobicContact CZ-CD2 3.56Å; F192-I235 HydrophobicContact CB-CG2 3.64Å; F192-P236 HydrophobicContact CD1-CG 4.37Å; F192-P236 HydrophobicContact CD2-CB 3.68Å; F192-P236 HydrophobicContact CD2-CG 3.92Å; F192-P236 HydrophobicContact CE1-CG 4.46Å; F192-P236 HydrophobicContact CE2-CB 3.81Å; F192-P236 HydrophobicContact CE2-CG 4.02Å; F192-P236 HydrophobicContact CG-CB 4.3Å; F192-P236 HydrophobicContact CG-CG 4.11Å; F192-P236 HydrophobicContact CZ-CG 4.29Å; F192-L248 HydrophobicContact CZ-CD2 4.44Å; F192-F261 HydrophobicContact CE1-CD2 4.16Å; F192-A263 HydrophobicContact CD1-CB 3.69Å; F192-A263 HydrophobicContact CE1-CB 3.85Å; F192-A263 HydrophobicContact CG-CB 4.21Å
193	L	95.4	Very high	86.2	Confident	85 Å²	85	47.8 Å²	47.8	45%	0.445	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-40.9	177.2	-53.2	-175.1	0	0	0	111.2	M160 S262	M160-L193 HydrophobicContact CE-CD1 3.73Å; M160-L193 HydrophobicContact SD-CD1 4.45Å; L193-S262 WeakPolarHBondContact CB-O 3.24Å; L193-S262 PolarHBondContact N-O 2.89Å
194	T	95.2	Very high	84.4	Confident	56 Å²	56	52.6 Å²	52.6	34%	0.344	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.9	175.3	56	0	0	0	0	110	F166 F261 S262	F166-T194 WeakPolarHBondContact CE2-OG1 3.2Å; F166-T194 HydrophobicContact CZ-CG2 4.36Å; F166-T194 VanDerWaalsContact CZ-OG1 3.27Å; F166-T194 WeakPolarHBondContact CZ-OG1 3.34Å; T194-F261 WeakPolarHBondContact O-CA 3.29Å; T194-S262 PolarHBondContact N-O 2.99Å; T194-S262 PolarHBondContact O-N 2.85Å; T194-S262 WeakPolarHBondContact OG1-CB 3.36Å; T194-S262 PolarHBondContact OG1-N 3.41Å; T194-S262 VanDerWaalsContact OG1-N 3.12Å
195	F	95.5	Very high	83.4	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.048	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	110.7	178.5	-163.4	-95.6	0	0	0	110.5	F192 L197 L214 G232 T233 K234 I235 P236 G260 F261	F192-F195 HydrophobicContact CD1-CD2 4.12Å; F192-F195 HydrophobicContact CE1-CD2 4.31Å; F195-L197 HydrophobicContact CE1-CD1 4.31Å; F195-L197 HydrophobicContact CE1-CG 4.22Å; F195-L197 HydrophobicContact CE2-CD1 4.03Å; F195-L197 HydrophobicContact CE2-CG 4.27Å; F195-L197 HydrophobicContact CZ-CD1 3.59Å; F195-L197 HydrophobicContact CZ-CG 3.89Å; F195-L214 HydrophobicContact CE2-CB 4.02Å; F195-L214 HydrophobicContact CE2-CD2 3.79Å; F195-L214 HydrophobicContact CZ-CB 4.21Å; F195-G232 VanDerWaalsContact CD1-O 3.26Å; F195-G232 WeakPolarHBondContact CD1-O 3.5Å; F195-G232 WeakPolarHBondContact CE1-O 3.4Å; F195-T233 CarbonylContact O-C 3.55Å; F195-T233 WeakPolarHBondContact O-CA 3.38Å; F195-K234 WeakPolarHBondContact CD1-O 3.45Å; F195-I235 HydrophobicContact CB-CG1 4.24Å; F195-P236 HydrophobicContact CD2-CG 4.09Å; F195-P236 HydrophobicContact CE2-CG 4.11Å; F195-P236 HydrophobicContact CG-CG 4.31Å; F195-P236 HydrophobicContact CZ-CG 4.33Å; F195-G260 CarbonylContact C-O 3.58Å; F195-G260 WeakPolarHBondContact CA-O 3.5Å; F195-F261 HydrophobicContact CD2-CB 3.68Å; F195-F261 HydrophobicContact CE2-CB 4.25Å
196	D	94.6	Very high	82.4	Confident	32 Å²	32	55.2 Å²	55.2	17%	0.171	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	104.4	167.2	178.6	34.9	0	0	0	108.8	G232 T233 K258 G260	D196-G232 WeakPolarHBondContact CA-O 3.43Å; D196-T233 HydrophobicContact CB-CG2 4.34Å; D196-T233 WeakPolarHBondContact OD1-CG2 3.33Å; D196-K258 HydrophobicContact CB-CB 4.47Å; D196-K258 WeakPolarHBondContact O-CB 3.49Å; D196-K258 IonicContact OD1-NZ 3.3Å; D196-K258 PolarHBondContact OD1-NZ 3.08Å; D196-K258 WeakPolarHBondContact OD2-CB 3.3Å; D196-K258 IonicContact OD2-NZ 3.48Å; D196-K258 PolarHBondContact OD2-NZ 2.87Å; D196-G260 PolarHBondContact N-O 2.82Å; D196-G260 WeakPolarHBondContact O-CA 3.47Å; D196-G260 PolarHBondContact O-N 3.42Å
197	L	94	Very high	81	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.306	C	S	.	.			trans	-113.6	167.5	170.6	-58.3	-173.3	0	0	0	110.2	Y170 F195 D212 L214 G232 F250 K258	Y170-L197 HydrophobicContact CD1-CD2 4.27Å; Y170-L197 HydrophobicContact CE1-CD2 3.54Å; Y170-L197 WeakPolarHBondContact OH-CA 3.1Å; F195-L197 HydrophobicContact CE1-CD1 4.31Å; F195-L197 HydrophobicContact CE1-CG 4.22Å; F195-L197 HydrophobicContact CE2-CD1 4.03Å; F195-L197 HydrophobicContact CE2-CG 4.27Å; F195-L197 HydrophobicContact CZ-CD1 3.59Å; F195-L197 HydrophobicContact CZ-CG 3.89Å; L197-D212 HydrophobicContact CB-CB 4.19Å; L197-L214 HydrophobicContact CD1-CB 4.13Å; L197-G232 PolarHBondContact N-O 3.49Å; L197-G232 WeakPolarHBondContact O-CA 3.29Å; L197-G232 PolarHBondContact O-N 2.67Å; L197-F250 HydrophobicContact CD1-CD2 4.29Å; L197-F250 HydrophobicContact CD1-CE2 3.89Å; L197-F250 HydrophobicContact CD2-CE2 3.55Å; L197-F250 HydrophobicContact CD2-CZ 3.98Å; L197-F250 HydrophobicContact CG-CE2 4.39Å; L197-K258 VanDerWaalsContact C-CG 3.46Å
198	E	91.7	Very high	80	Confident	23 Å²	23	57.1 Å²	57.1	11%	0.107	33%	0.328	C	S	.	.			trans	-60	150.3	168.7	-176	164	-134.3	0	0	110.9	Y170 Y211 D212 C231 G232 V256	Y170-E198 PolarHBondContact OH-N 2.83Å; E198-Y211 HydrophobicContact CG-CD2 4.19Å; E198-Y211 VanDerWaalsContact OE2-CB 3.27Å; E198-Y211 WeakPolarHBondContact OE2-CB 3.32Å; E198-D212 HydrophobicContact CB-CB 4.16Å; E198-D212 VanDerWaalsContact CB-OD2 3.28Å; E198-D212 WeakPolarHBondContact CB-OD2 3.12Å; E198-D212 PolarHBondContact N-OD2 2.93Å; E198-C231 WeakPolarHBondContact O-CB 3.21Å; E198-G232 PolarHBondContact O-N 2.81Å; E198-V256 VanDerWaalsContact OE1-CB 3.24Å; E198-V256 WeakPolarHBondContact OE1-CB 3.4Å; E198-V256 WeakPolarHBondContact OE1-CG1 3.38Å; E198-V256 WeakPolarHBondContact OE1-CG2 3.4Å
199	N	85.4	Confident	79.5	Confident	68 Å²	68	57.5 Å²	57.5	36%	0.364	33%	0.331	S	S	.	.			trans	-137.2	158	169.3	66.5	-43.5	0	0	0	110	P201	N199-P201 WeakPolarHBondContact O-CD 3.31Å; N199-P201 VanDerWaalsContact O-N 3.1Å
200	D	78.2	Confident	79.1	Confident	14 Å²	14	60.7 Å²	60.7	8%	0.075	34%	0.342	C	S	.	.			trans	-61.7	109.1	177.1	-177.1	-19.3	0	0	0	110.4	L202 M203 K210 Y211	D200-L202 PolarHBondContact O-N 2.77Å; D200-L202 VanDerWaalsContact O-N 3.14Å; D200-L202 WeakPolarHBondContact OD1-CB 2.97Å; D200-L202 PolarHBondContact OD1-N 3.06Å; D200-L202 VanDerWaalsContact OD1-N 3.08Å; D200-M203 HydrophobicContact CB-CB 4.26Å; D200-M203 HydrophobicContact CB-CG 4.14Å; D200-M203 PolarHBondContact O-N 2.79Å; D200-M203 VanDerWaalsContact O-N 3.12Å; D200-M203 WeakPolarHBondContact OD2-CG 3.47Å; D200-K210 IonicContact OD2-NZ 2.94Å; D200-K210 PolarHBondContact OD2-NZ 3.42Å; D200-Y211 HydrophobicContact CB-CE2 4.43Å
201	P	66.5	Low	78.7	Confident	100 Å²	100	64.9 Å²	64.9	65%	0.649	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-6.3	-171.4	32	-36.3	0	0	0	113	N199	N199-P201 WeakPolarHBondContact O-CD 3.31Å; N199-P201 VanDerWaalsContact O-N 3.1Å
202	L	65.9	Low	78.6	Confident	152 Å²	152	64 Å²	64	80%	0.796	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.9	175.3	-57.8	177.1	0	0	0	112.4	D200	D200-L202 PolarHBondContact O-N 2.77Å; D200-L202 VanDerWaalsContact O-N 3.14Å; D200-L202 WeakPolarHBondContact OD1-CB 2.97Å; D200-L202 PolarHBondContact OD1-N 3.06Å; D200-L202 VanDerWaalsContact OD1-N 3.08Å
203	M	58.5	Low	78.5	Confident	93 Å²	93	65 Å²	65	46%	0.458	36%	0.357	S	S	.	.			trans	-106.3	109	-176.9	-68.1	-67.6	165.5	0	0	111.9	D200 G205	D200-M203 HydrophobicContact CB-CB 4.26Å; D200-M203 HydrophobicContact CB-CG 4.14Å; D200-M203 PolarHBondContact O-N 2.79Å; D200-M203 VanDerWaalsContact O-N 3.12Å; D200-M203 WeakPolarHBondContact OD2-CG 3.47Å; M203-G205 VanDerWaalsContact C-N 3.27Å; M203-G205 PolarHBondContact O-N 2.79Å
204	V	47.4	Very low	78.5	Confident	163 Å²	163	61 Å²	61	99%	0.988	34%	0.335	S	S	*	.	S	Bend	trans	-83.3	73	172.8	-172.6	0	0	0	0	109.5
205	G	55.7	Low	78.4	Confident	58 Å²	58	59.5 Å²	59.5	60%	0.598	32%	0.324	S	S	*	.	S	Bend	trans	165.9	-162	-179.2	0	0	0	0	0	112.8	M203 G207	M203-G205 VanDerWaalsContact C-N 3.27Å; M203-G205 PolarHBondContact O-N 2.79Å; G205-G207 VanDerWaalsContact C-N 3.3Å; G205-G207 PolarHBondContact O-N 2.89Å
206	E	54.8	Low	78.4	Confident	151 Å²	151	59 Å²	59	71%	0.706	32%	0.322	S	S	*	.			trans	-77.4	82.4	169.6	-65.5	180	152.7	0	0	109.1	K234	E206-K234 IonicContact OE1-NZ 2.71Å; E206-K234 PolarHBondContact OE1-NZ 2.85Å
207	G	57.6	Low	78.3	Confident	17 Å²	17	58.9 Å²	58.9	18%	0.175	32%	0.319	C	S	.	.			trans	-70.1	162.1	170.2	0	0	0	0	0	111.6	G205 C209	G205-G207 VanDerWaalsContact C-N 3.3Å; G205-G207 PolarHBondContact O-N 2.89Å; G207-C209 PolarHBondContact O-N 3.47Å
208	D	67.7	Low	78.1	Confident	112 Å²	112	59.2 Å²	59.2	60%	0.599	32%	0.321	S	S	*	.			trans	-65.2	8.6	-167.6	-39.3	-82.5	0	0	0	116.3	K210	D208-K210 HydrophobicContact CB-CG 4.08Å; D208-K210 WeakPolarHBondContact OD2-CE 3.28Å; D208-K210 IonicContact OD2-NZ 3.29Å; D208-K210 PolarHBondContact OD2-NZ 2.85Å
209	C	83.8	Confident	77.9	Confident	10 Å²	10	58.1 Å²	58.1	7%	0.068	32%	0.316	C	S	.	.			trans	48	72.9	-176	-61.3	0	0	0	0	111.7	G207 W213 R229 C231	G207-C209 PolarHBondContact O-N 3.47Å; C209-W213 HydrophobicContact CB-CB 3.91Å; C209-R229 HydrophobicContact CB-CG 3.89Å; C209-R229 PolarHBondContact O-NH1 2.9Å; C209-C231 WeakPolarHBondContact CA-SG 3.39Å; C209-C231 HydrophobicContact CB-CB 3.57Å; C209-C231 WeakPolarHBondContact CB-SG 3.21Å; C209-C231 WeakPolarHBondContact SG-CB 3.1Å; C209-C231 PolarHBondContact SG-N 3.35Å; C209-C231 VanDerWaalsContact SG-N 3.42Å; C209-C231 CovalentContact SG-SG 2.03Å; C209-C231 PolarHBondContact SG-SG 2.82Å
210	K	86.2	Confident	77.8	Confident	91 Å²	91	57.9 Å²	57.9	40%	0.396	32%	0.315	S	S	.	.			trans	-94.3	-20.6	-166.6	-59.9	171.2	-170.6	153.8	0	115.1	D200 D208	D200-K210 IonicContact OD2-NZ 2.94Å; D200-K210 PolarHBondContact OD2-NZ 3.42Å; D208-K210 HydrophobicContact CB-CG 4.08Å; D208-K210 WeakPolarHBondContact OD2-CE 3.28Å; D208-K210 IonicContact OD2-NZ 3.29Å; D208-K210 PolarHBondContact OD2-NZ 2.85Å
211	Y	88.2	Confident	77.9	Confident	88 Å²	88	59 Å²	59	35%	0.345	32%	0.322	S	S	.	.	S	Bend	trans	-103.1	-93	-178.2	-56.7	-62.9	0	0	0	108.1	E198 D200 W213	E198-Y211 HydrophobicContact CG-CD2 4.19Å; E198-Y211 VanDerWaalsContact OE2-CB 3.27Å; E198-Y211 WeakPolarHBondContact OE2-CB 3.32Å; D200-Y211 HydrophobicContact CB-CE2 4.43Å; Y211-W213 VanDerWaalsContact O-CZ3 3.27Å; Y211-W213 WeakPolarHBondContact O-CZ3 3.04Å
212	D	92.3	Very high	78.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-87.4	144.1	169.9	-57.9	-33.1	0	0	0	111.8	Y170 L197 E198 C231 T252 D253	Y170-D212 VanDerWaalsContact CE2-OD2 3.23Å; Y170-D212 WeakPolarHBondContact CE2-OD2 3.43Å; Y170-D212 VanDerWaalsContact CZ-OD2 3.24Å; Y170-D212 PolarHBondContact OH-OD2 3.11Å; L197-D212 HydrophobicContact CB-CB 4.19Å; E198-D212 HydrophobicContact CB-CB 4.16Å; E198-D212 VanDerWaalsContact CB-OD2 3.28Å; E198-D212 WeakPolarHBondContact CB-OD2 3.12Å; E198-D212 PolarHBondContact N-OD2 2.93Å; D212-C231 WeakPolarHBondContact O-CB 3.39Å; D212-T252 WeakPolarHBondContact OD1-CA 3.32Å; D212-T252 VanDerWaalsContact OD1-CB 3.22Å; D212-T252 WeakPolarHBondContact OD1-CB 3.38Å; D212-D253 PolarHBondContact OD1-N 3.31Å
213	W	93.9	Very high	78.5	Confident	42 Å²	42	57 Å²	57	16%	0.159	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	153.9	171.7	66.8	77.8	0	0	0	114.4	C209 Y211 R229 Y230 F250 H251	C209-W213 HydrophobicContact CB-CB 3.91Å; Y211-W213 VanDerWaalsContact O-CZ3 3.27Å; Y211-W213 WeakPolarHBondContact O-CZ3 3.04Å; W213-R229 HydrophobicContact CB-CG 3.77Å; W213-R229 HydrophobicContact CG-CG 4.01Å; W213-Y230 WeakPolarHBondContact CA-O 3.48Å; W213-F250 WeakPolarHBondContact O-CD2 3.46Å; W213-H251 HydrophobicContact CD2-CB 3.96Å; W213-H251 AromaticContact CE2-CG 3.86Å; W213-H251 HydrophobicContact CE3-CB 4.5Å; W213-H251 AromaticContact CE3-CD2 3.9Å; W213-H251 HydrophobicContact CG-CB 4.35Å; W213-H251 HydrophobicContact CH2-CB 4.31Å; W213-H251 AromaticContact CH2-CD2 3.31Å; W213-H251 WeakPolarHBondContact CH2-CD2 3.03Å; W213-H251 AromaticContact CH2-CG 3.7Å; W213-H251 AromaticContact CH2-NE2 3.61Å; W213-H251 HydrophobicContact CZ2-CB 3.75Å; W213-H251 AromaticContact CZ2-CD2 3.67Å; W213-H251 AromaticContact CZ2-CG 3.55Å; W213-H251 AromaticContact CZ3-CD2 3.44Å; W213-H251 VanDerWaalsContact CZ3-CD2 3.44Å; W213-H251 WeakPolarHBondContact CZ3-CD2 3.1Å; W213-H251 AromaticContact CZ3-NE2 3.95Å; W213-H251 PolarHBondContact N-O 2.91Å; W213-H251 VanDerWaalsContact N-O 3.09Å; W213-H251 PolarHBondContact O-N 3.46Å
214	L	94.8	Very high	79.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.5	165.7	-174.2	70.9	0	0	0	109.6	F192 F195 L197 R229 Y230 L248 S249 F250 F261	F192-L214 HydrophobicContact CE1-CD2 3.4Å; F192-L214 VanDerWaalsContact CE1-CD2 3.4Å; F192-L214 HydrophobicContact CZ-CD2 3.56Å; F195-L214 HydrophobicContact CE2-CB 4.02Å; F195-L214 HydrophobicContact CE2-CD2 3.79Å; F195-L214 HydrophobicContact CZ-CB 4.21Å; L197-L214 HydrophobicContact CD1-CB 4.13Å; L214-R229 WeakPolarHBondContact O-CA 3.47Å; L214-Y230 PolarHBondContact N-O 3.36Å; L214-Y230 PolarHBondContact O-N 3.02Å; L214-L248 HydrophobicContact CD1-CB 4.18Å; L214-L248 HydrophobicContact CD1-CD2 4.48Å; L214-L248 HydrophobicContact CD2-CD2 4.39Å; L214-S249 WeakPolarHBondContact CA-O 3.43Å; L214-F250 HydrophobicContact CD1-CB 3.72Å; L214-F250 HydrophobicContact CD1-CD2 4.42Å; L214-F250 HydrophobicContact CD1-CG 4.42Å; L214-F261 HydrophobicContact CD1-CE1 3.89Å; L214-F261 HydrophobicContact CD1-CZ 3.87Å; L214-F261 HydrophobicContact CD2-CD1 4.4Å; L214-F261 HydrophobicContact CD2-CD2 4.37Å; L214-F261 HydrophobicContact CD2-CE1 4.39Å; L214-F261 HydrophobicContact CD2-CE2 4.36Å; L214-F261 HydrophobicContact CD2-CG 4.4Å; L214-F261 HydrophobicContact CD2-CZ 4.37Å
215	E	93.9	Very high	81.3	Confident	24 Å²	24	45.9 Å²	45.9	11%	0.112	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.9	170.4	-77.2	176.6	162.4	0	0	110.8	W217 L226 G228 R229 L248 S249	E215-W217 WeakPolarHBondContact OE2-CZ2 3.08Å; E215-L226 HydrophobicContact CB-CD1 3.65Å; E215-L226 HydrophobicContact CG-CD1 3.73Å; E215-G228 WeakPolarHBondContact CA-O 3.43Å; E215-R229 HydrophobicContact CG-CB 3.89Å; E215-R229 HydrophobicContact CG-CG 3.84Å; E215-R229 IonicContact OE1-CZ 3.96Å; E215-R229 IonicContact OE1-NE 2.72Å; E215-R229 PolarHBondContact OE1-NE 2.72Å; E215-R229 IonicContact OE1-NH2 2.64Å; E215-R229 PolarHBondContact OE1-NH2 3.31Å; E215-L248 CarbonylContact O-C 3.48Å; E215-L248 VanDerWaalsContact O-CA 3.3Å; E215-L248 WeakPolarHBondContact O-CA 3.41Å; E215-S249 PolarHBondContact N-O 2.89Å; E215-S249 PolarHBondContact O-N 2.82Å
216	V	94.8	Very high	82.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.3	174.3	-167.9	0	0	0	0	109.4	L190 I227 G228 Y230 I239 L246 S247 L248	L190-V216 HydrophobicContact CD2-CG1 4.32Å; V216-I227 HydrophobicContact CG1-CD1 4.2Å; V216-I227 WeakPolarHBondContact O-CA 3.39Å; V216-I227 WeakPolarHBondContact O-CB 3.42Å; V216-I227 PolarHBondContact O-N 2.69Å; V216-G228 PolarHBondContact N-O 3.04Å; V216-Y230 HydrophobicContact CB-CE2 4.42Å; V216-Y230 HydrophobicContact CG2-CD2 4.16Å; V216-Y230 HydrophobicContact CG2-CE2 3.87Å; V216-I239 HydrophobicContact CB-CD1 4.15Å; V216-I239 HydrophobicContact CG1-CD1 3.95Å; V216-I239 HydrophobicContact CG2-CD1 4.17Å; V216-L246 HydrophobicContact CG1-CD1 3.85Å; V216-L246 HydrophobicContact CG1-CG 4.25Å; V216-S247 CarbonylContact C-O 3.56Å; V216-S247 WeakPolarHBondContact CA-O 3.29Å; V216-L248 HydrophobicContact CG1-CG 4.43Å; V216-L248 HydrophobicContact CG2-CG 4.35Å
217	W	92.3	Very high	84.6	Confident	30 Å²	30	39 Å²	39	11%	0.114	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.4	-169.4	-62.9	87	0	0	0	111	E215 G219 P221 S224 L226 S247	E215-W217 WeakPolarHBondContact OE2-CZ2 3.08Å; W217-G219 PolarHBondContact O-N 3.18Å; W217-P221 HydrophobicContact CD2-CB 4.36Å; W217-P221 HydrophobicContact CG-CB 4.27Å; W217-P221 HydrophobicContact CG-CG 4.5Å; W217-S224 VanDerWaalsContact CE3-O 3.31Å; W217-S224 WeakPolarHBondContact CZ3-O 3.48Å; W217-L226 HydrophobicContact CD2-CB 4.42Å; W217-L226 HydrophobicContact CD2-CD1 4.01Å; W217-L226 HydrophobicContact CE3-CB 4.01Å; W217-L226 HydrophobicContact CE3-CD1 4.44Å; W217-L226 HydrophobicContact CG-CD1 4.47Å; W217-L226 HydrophobicContact CH2-CB 4.11Å; W217-L226 HydrophobicContact CH2-CD1 4.36Å; W217-L226 HydrophobicContact CZ2-CD1 3.93Å; W217-L226 HydrophobicContact CZ3-CB 3.85Å; W217-S247 PolarHBondContact N-O 2.71Å; W217-S247 PolarHBondContact O-N 2.84Å
218	D	90	Very high	86.1	Confident	8 Å²	8	38.8 Å²	38.8	4%	0.043	20%	0.195	C	C	.	.	S	Bend	trans	-81.2	53.8	177.2	-167.2	30.8	0	0	0	111.6	S224 P225 I227 S241 S243 L245 F336	D218-S224 VanDerWaalsContact C-OG 3.29Å; D218-S224 WeakPolarHBondContact O-CB 3.17Å; D218-S224 PolarHBondContact O-OG 2.8Å; D218-P225 PolarHBondContact N-O 2.79Å; D218-I227 HydrophobicContact CB-CD1 4.01Å; D218-I227 HydrophobicContact CB-CG1 4.04Å; D218-S241 PolarHBondContact OD1-OG 3.11Å; D218-S243 VanDerWaalsContact OD1-CB 3.28Å; D218-S243 WeakPolarHBondContact OD1-CB 3.26Å; D218-S243 PolarHBondContact OD1-OG 3.21Å; D218-L245 CarbonylContact C-O 3.57Å; D218-F336 HydrophobicContact CB-CD1 4.41Å; D218-F336 HydrophobicContact CB-CE1 4.14Å; D218-F336 WeakPolarHBondContact OD1-CE1 3.41Å; D218-F336 WeakPolarHBondContact OD2-CD1 3.49Å
219	G	88.1	Confident	87.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	146.8	-150.5	-175.2	0	0	0	0	0	112.2	W217 S224 L245 S247 S443	W217-G219 PolarHBondContact O-N 3.18Å; G219-S224 VanDerWaalsContact CA-OG 3.29Å; G219-S224 WeakPolarHBondContact CA-OG 3.29Å; G219-S224 PolarHBondContact N-OG 2.91Å; G219-S224 VanDerWaalsContact N-OG 3.14Å; G219-L245 WeakPolarHBondContact CA-O 3.46Å; G219-L245 PolarHBondContact N-O 3.29Å; G219-S247 WeakPolarHBondContact O-CB 3.49Å; G219-S247 PolarHBondContact O-OG 3.1Å; G219-S443 CarbonylContact C-O 3.44Å; G219-S443 WeakPolarHBondContact CA-O 3.31Å
220	L	82.3	Confident	87.6	Confident	63 Å²	63	39.2 Å²	39.2	33%	0.33	19%	0.187	S	C	.	.	S	Bend	trans	-67.6	133.6	173.3	-71.7	176.6	0	0	0	111.5	M179 A223 S224 L245 S443 G444	M179-L220 HydrophobicContact SD-CD2 4.09Å; L220-A223 HydrophobicContact CB-CB 4.13Å; L220-A223 PolarHBondContact O-N 3.35Å; L220-S224 PolarHBondContact O-N 3.06Å; L220-S224 PolarHBondContact O-OG 3.36Å; L220-L245 HydrophobicContact CB-CD2 4.48Å; L220-L245 HydrophobicContact CD2-CD2 3.81Å; L220-L245 HydrophobicContact CG-CD2 3.76Å; L220-S443 PolarHBondContact N-O 3.46Å; L220-G444 WeakPolarHBondContact CD1-O 3.46Å
221	P	80.9	Confident	87.9	Confident	36 Å²	36	35.9 Å²	35.9	23%	0.234	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	143.2	175.4	-25.6	35.2	0	0	0	112.4	W217 A223	W217-P221 HydrophobicContact CD2-CB 4.36Å; W217-P221 HydrophobicContact CG-CB 4.27Å; W217-P221 HydrophobicContact CG-CG 4.5Å; P221-A223 PolarHBondContact O-N 2.97Å
222	Q	72.4	Confident	88.1	Confident	183 Å²	183	31.9 Å²	31.9	86%	0.855	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	-16	-176.5	-51.1	-179.3	0.7	0	0	116.3
223	A	72.3	Confident	88	Confident	29 Å²	29	36.9 Å²	36.9	24%	0.24	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-14.9	179.8	0	0	0	0	0	114.2	L220 P221 A470	L220-A223 HydrophobicContact CB-CB 4.13Å; L220-A223 PolarHBondContact O-N 3.35Å; P221-A223 PolarHBondContact O-N 2.97Å; A223-A470 VanDerWaalsContact O-CB 3.25Å; A223-A470 WeakPolarHBondContact O-CB 3.17Å
224	S	82.2	Confident	87.7	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.028	20%	0.202	C	C	.	.	S	Bend	trans	-115	175.9	172.7	79.5	0	0	0	0	112	W217 D218 G219 L220 M442	W217-S224 VanDerWaalsContact CE3-O 3.31Å; W217-S224 WeakPolarHBondContact CZ3-O 3.48Å; D218-S224 VanDerWaalsContact C-OG 3.29Å; D218-S224 WeakPolarHBondContact O-CB 3.17Å; D218-S224 PolarHBondContact O-OG 2.8Å; G219-S224 VanDerWaalsContact CA-OG 3.29Å; G219-S224 WeakPolarHBondContact CA-OG 3.29Å; G219-S224 PolarHBondContact N-OG 2.91Å; G219-S224 VanDerWaalsContact N-OG 3.14Å; L220-S224 PolarHBondContact O-N 3.06Å; L220-S224 PolarHBondContact O-OG 3.36Å; S224-M442 WeakPolarHBondContact CA-O 3.23Å; S224-M442 VanDerWaalsContact CB-O 3.3Å; S224-M442 WeakPolarHBondContact CB-O 3.34Å
225	P	84.1	Confident	87.6	Confident	18 Å²	18	43.4 Å²	43.4	12%	0.117	22%	0.224	C	C	.	.			trans	-71.4	132.5	175.5	-18.6	34.5	0	0	0	112.6	D218 I227 M442 V469 A470	D218-P225 PolarHBondContact N-O 2.79Å; P225-I227 PolarHBondContact O-N 3.49Å; P225-M442 HydrophobicContact CG-CE 4.13Å; P225-M442 HydrophobicContact CG-CG 4.34Å; P225-V469 HydrophobicContact CB-CG1 4.29Å; P225-V469 HydrophobicContact CG-CB 4.24Å; P225-V469 HydrophobicContact CG-CG1 3.87Å; P225-A470 HydrophobicContact CG-CB 4.25Å
226	L	89.2	Confident	87.5	Confident	57 Å²	57	42.6 Å²	42.6	30%	0.298	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.6	167.5	179.8	69.3	0	0	0	109.4	E215 W217 R406	E215-L226 HydrophobicContact CB-CD1 3.65Å; E215-L226 HydrophobicContact CG-CD1 3.73Å; W217-L226 HydrophobicContact CD2-CB 4.42Å; W217-L226 HydrophobicContact CD2-CD1 4.01Å; W217-L226 HydrophobicContact CE3-CB 4.01Å; W217-L226 HydrophobicContact CE3-CD1 4.44Å; W217-L226 HydrophobicContact CG-CD1 4.47Å; W217-L226 HydrophobicContact CH2-CB 4.11Å; W217-L226 HydrophobicContact CH2-CD1 4.36Å; W217-L226 HydrophobicContact CZ2-CD1 3.93Å; W217-L226 HydrophobicContact CZ3-CB 3.85Å; L226-R406 PolarHBondContact O-NH1 2.62Å
227	I	90.6	Very high	87.2	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-52	172.5	-64.3	168.2	0	0	0	108.9	V216 D218 P225 I239 L246 H335 F336 R406	V216-I227 HydrophobicContact CG1-CD1 4.2Å; V216-I227 WeakPolarHBondContact O-CA 3.39Å; V216-I227 WeakPolarHBondContact O-CB 3.42Å; V216-I227 PolarHBondContact O-N 2.69Å; D218-I227 HydrophobicContact CB-CD1 4.01Å; D218-I227 HydrophobicContact CB-CG1 4.04Å; P225-I227 PolarHBondContact O-N 3.49Å; I227-I239 HydrophobicContact CD1-CG2 3.86Å; I227-I239 HydrophobicContact CG2-CD1 4.23Å; I227-L246 HydrophobicContact CD1-CD1 3.67Å; I227-H335 HydrophobicContact CG2-CB 3.96Å; I227-F336 HydrophobicContact CD1-CE1 3.7Å; I227-F336 HydrophobicContact CD1-CZ 3.67Å; I227-F336 HydrophobicContact CG1-CE1 4.3Å; I227-F336 HydrophobicContact CG1-CZ 4.43Å; I227-R406 PolarHBondContact O-NH2 3.46Å
228	G	89	Confident	87.2	Confident	13 Å²	13	47.3 Å²	47.3	13%	0.134	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	160.7	175.9	0	0	0	0	0	112.7	E215 V216	E215-G228 WeakPolarHBondContact CA-O 3.43Å; V216-G228 PolarHBondContact N-O 3.04Å
229	R	91.3	Very high	87.3	Confident	94 Å²	94	47 Å²	47	36%	0.355	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.8	169.5	-177.9	-174.2	-76.4	-148.9	-8.2	107.8	C209 W213 L214 E215	C209-R229 HydrophobicContact CB-CG 3.89Å; C209-R229 PolarHBondContact O-NH1 2.9Å; W213-R229 HydrophobicContact CB-CG 3.77Å; W213-R229 HydrophobicContact CG-CG 4.01Å; L214-R229 WeakPolarHBondContact O-CA 3.47Å; E215-R229 HydrophobicContact CG-CB 3.89Å; E215-R229 HydrophobicContact CG-CG 3.84Å; E215-R229 IonicContact OE1-CZ 3.96Å; E215-R229 IonicContact OE1-NE 2.72Å; E215-R229 PolarHBondContact OE1-NE 2.72Å; E215-R229 IonicContact OE1-NH2 2.64Å; E215-R229 PolarHBondContact OE1-NH2 3.31Å
230	Y	91.9	Very high	87.4	Confident	37 Å²	37	50.7 Å²	50.7	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.2	-172.7	-52.3	-76.9	0	0	0	111.2	W213 L214 V216 P236 I239	W213-Y230 WeakPolarHBondContact CA-O 3.48Å; L214-Y230 PolarHBondContact N-O 3.36Å; L214-Y230 PolarHBondContact O-N 3.02Å; V216-Y230 HydrophobicContact CB-CE2 4.42Å; V216-Y230 HydrophobicContact CG2-CD2 4.16Å; V216-Y230 HydrophobicContact CG2-CE2 3.87Å; Y230-P236 HydrophobicContact CD1-CB 3.89Å; Y230-P236 HydrophobicContact CD1-CG 3.95Å; Y230-P236 HydrophobicContact CD2-CB 4.23Å; Y230-P236 HydrophobicContact CD2-CG 4.13Å; Y230-P236 HydrophobicContact CE1-CB 4Å; Y230-P236 HydrophobicContact CE2-CB 4.33Å; Y230-P236 HydrophobicContact CG-CB 4.02Å; Y230-P236 HydrophobicContact CG-CG 3.72Å; Y230-I239 HydrophobicContact CE2-CD1 4.5Å
231	C	92.3	Very high	87.8	Confident	22 Å²	22	47.7 Å²	47.7	15%	0.149	25%	0.247	C	C	.	.			trans	-157.9	175.6	176.7	65.8	0	0	0	0	111.1	E198 C209 D212	E198-C231 WeakPolarHBondContact O-CB 3.21Å; C209-C231 WeakPolarHBondContact CA-SG 3.39Å; C209-C231 HydrophobicContact CB-CB 3.57Å; C209-C231 WeakPolarHBondContact CB-SG 3.21Å; C209-C231 WeakPolarHBondContact SG-CB 3.1Å; C209-C231 PolarHBondContact SG-N 3.35Å; C209-C231 VanDerWaalsContact SG-N 3.42Å; C209-C231 CovalentContact SG-SG 2.03Å; C209-C231 PolarHBondContact SG-SG 2.82Å; D212-C231 WeakPolarHBondContact O-CB 3.39Å
232	G	90.7	Very high	88.1	Confident	4 Å²	4	47.1 Å²	47.1	4%	0.041	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	-157.4	-174.2	0	0	0	0	0	113.8	F195 D196 L197 E198	F195-G232 VanDerWaalsContact CD1-O 3.26Å; F195-G232 WeakPolarHBondContact CD1-O 3.5Å; F195-G232 WeakPolarHBondContact CE1-O 3.4Å; D196-G232 WeakPolarHBondContact CA-O 3.43Å; L197-G232 PolarHBondContact N-O 3.49Å; L197-G232 WeakPolarHBondContact O-CA 3.29Å; L197-G232 PolarHBondContact O-N 2.67Å; E198-G232 PolarHBondContact O-N 2.81Å
233	T	90.9	Very high	88.6	Confident	105 Å²	105	38.7 Å²	38.7	64%	0.644	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	5.5	-173.9	51.8	0	0	0	0	114.8	F195 D196 I235	F195-T233 CarbonylContact O-C 3.55Å; F195-T233 WeakPolarHBondContact O-CA 3.38Å; D196-T233 HydrophobicContact CB-CG2 4.34Å; D196-T233 WeakPolarHBondContact OD1-CG2 3.33Å; T233-I235 PolarHBondContact O-N 2.6Å
234	K	88.6	Confident	89.2	Confident	88 Å²	88	38.2 Å²	38.2	38%	0.383	20%	0.202	S	C	.	.			trans	-87.4	108.3	-175.8	-176.7	-179.9	178.8	176.1	0	109.7	F195 E206 P236 D292	F195-K234 WeakPolarHBondContact CD1-O 3.45Å; E206-K234 IonicContact OE1-NZ 2.71Å; E206-K234 PolarHBondContact OE1-NZ 2.85Å; K234-P236 WeakPolarHBondContact O-CD 3.24Å; K234-D292 WeakPolarHBondContact CE-OD1 3.3Å; K234-D292 WeakPolarHBondContact CE-OD2 3.39Å; K234-D292 IonicContact NZ-OD1 3.5Å; K234-D292 PolarHBondContact NZ-OD1 2.84Å; K234-D292 IonicContact NZ-OD2 2.73Å
235	I	91.5	Very high	89.5	Confident	90 Å²	90	38.1 Å²	38.1	46%	0.462	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-59.4	122.7	177.7	-57.3	179.2	0	0	0	109.5	F192 F195 T233	F192-I235 HydrophobicContact CB-CG2 3.64Å; F195-I235 HydrophobicContact CB-CG1 4.24Å; T233-I235 PolarHBondContact O-N 2.6Å
236	P	91.6	Very high	89.9	Confident	8 Å²	8	37.3 Å²	37.3	5%	0.052	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-63.4	150.6	178.5	-22	32.7	0	0	0	112.6	F192 F195 Y230 K234	F192-P236 HydrophobicContact CD1-CG 4.37Å; F192-P236 HydrophobicContact CD2-CB 3.68Å; F192-P236 HydrophobicContact CD2-CG 3.92Å; F192-P236 HydrophobicContact CE1-CG 4.46Å; F192-P236 HydrophobicContact CE2-CB 3.81Å; F192-P236 HydrophobicContact CE2-CG 4.02Å; F192-P236 HydrophobicContact CG-CB 4.3Å; F192-P236 HydrophobicContact CG-CG 4.11Å; F192-P236 HydrophobicContact CZ-CG 4.29Å; F195-P236 HydrophobicContact CD2-CG 4.09Å; F195-P236 HydrophobicContact CE2-CG 4.11Å; F195-P236 HydrophobicContact CG-CG 4.31Å; F195-P236 HydrophobicContact CZ-CG 4.33Å; Y230-P236 HydrophobicContact CD1-CB 3.89Å; Y230-P236 HydrophobicContact CD1-CG 3.95Å; Y230-P236 HydrophobicContact CD2-CB 4.23Å; Y230-P236 HydrophobicContact CD2-CG 4.13Å; Y230-P236 HydrophobicContact CE1-CB 4Å; Y230-P236 HydrophobicContact CE2-CB 4.33Å; Y230-P236 HydrophobicContact CG-CB 4.02Å; Y230-P236 HydrophobicContact CG-CG 3.72Å; K234-P236 WeakPolarHBondContact O-CD 3.24Å
237	P	90.2	Very high	90.1	Very high	25 Å²	25	34.6 Å²	34.6	16%	0.162	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-64.7	165.3	178	28.3	-35.8	0	0	0	112.5	I239	P237-I239 PolarHBondContact O-N 2.96Å
238	E	91.4	Very high	90.3	Very high	104 Å²	104	34.3 Å²	34.3	49%	0.486	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-64.2	132	173.2	-176	176	114.1	0	0	111	T189 T191 Q240	T189-E238 HydrophobicContact CG2-CG 3.8Å; T191-E238 HydrophobicContact CG2-CB 4.45Å; T191-E238 HydrophobicContact CG2-CG 3.81Å; T191-E238 VanDerWaalsContact CG2-OE2 3.28Å; T191-E238 WeakPolarHBondContact CG2-OE2 3.28Å; E238-Q240 HydrophobicContact CG-CG 4.45Å; E238-Q240 PolarHBondContact OE1-NE2 2.63Å
239	I	92.4	Very high	90.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.5	-177.2	-64.4	176.7	0	0	0	108.8	T189 L190 V216 I227 Y230 P237 L246 F336	T189-I239 CarbonylContact C-O 3.55Å; T189-I239 WeakPolarHBondContact CA-O 3.42Å; L190-I239 HydrophobicContact CB-CB 4.34Å; L190-I239 PolarHBondContact N-O 3.02Å; L190-I239 PolarHBondContact O-N 2.76Å; V216-I239 HydrophobicContact CB-CD1 4.15Å; V216-I239 HydrophobicContact CG1-CD1 3.95Å; V216-I239 HydrophobicContact CG2-CD1 4.17Å; I227-I239 HydrophobicContact CD1-CG2 3.86Å; I227-I239 HydrophobicContact CG2-CD1 4.23Å; Y230-I239 HydrophobicContact CE2-CD1 4.5Å; P237-I239 PolarHBondContact O-N 2.96Å; I239-L246 HydrophobicContact CG2-CD1 4.15Å; I239-L246 HydrophobicContact CG2-CD2 4.32Å; I239-F336 HydrophobicContact CG2-CE2 4.18Å; I239-F336 HydrophobicContact CG2-CZ 3.68Å
240	Q	90.2	Very high	90.6	Very high	79 Å²	79	30.1 Å²	30.1	37%	0.369	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	96.4	179.1	-65.2	-176.6	-1.2	0	0	110.5	I188 T189 E238 F336	I188-Q240 CarbonylContact O-C 3.55Å; I188-Q240 WeakPolarHBondContact O-CA 3.21Å; T189-Q240 HydrophobicContact CG2-CG 4.18Å; E238-Q240 HydrophobicContact CG-CG 4.45Å; E238-Q240 PolarHBondContact OE1-NE2 2.63Å; Q240-F336 VanDerWaalsContact O-CE2 3.23Å; Q240-F336 WeakPolarHBondContact O-CE2 3.36Å; Q240-F336 WeakPolarHBondContact O-CZ 3.36Å
241	S	90.4	Very high	90.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	151.3	176.8	175.9	0	0	0	0	112.2	D187 I188 D218 S243	D187-S241 WeakPolarHBondContact CA-O 3.3Å; I188-S241 PolarHBondContact N-O 2.99Å; I188-S241 PolarHBondContact O-N 3.3Å; D218-S241 PolarHBondContact OD1-OG 3.11Å; S241-S243 PolarHBondContact OG-N 2.94Å; S241-S243 PolarHBondContact OG-OG 3.09Å
242	S	87	Confident	90.4	Very high	23 Å²	23	29.4 Å²	29.4	16%	0.161	16%	0.16	C	C	.	.			trans	-130.8	22.5	174.4	62.1	0	0	0	0	112.6	D187 T431	D187-S242 WeakPolarHBondContact OD1-CA 3.33Å; D187-S242 WeakPolarHBondContact OD1-CB 3.42Å; S242-T431 WeakPolarHBondContact CB-OG1 3.39Å; S242-T431 PolarHBondContact OG-OG1 2.69Å
243	S	82.8	Confident	90	Very high	7 Å²	7	30.8 Å²	30.8	5%	0.049	17%	0.166	C	C	.	.	S	Bend	trans	-94.8	0.4	-175.5	68.5	0	0	0	0	114.4	D218 S241 L245 S443	D218-S243 VanDerWaalsContact OD1-CB 3.28Å; D218-S243 WeakPolarHBondContact OD1-CB 3.26Å; D218-S243 PolarHBondContact OD1-OG 3.21Å; S241-S243 PolarHBondContact OG-N 2.94Å; S241-S243 PolarHBondContact OG-OG 3.09Å; S243-L245 PolarHBondContact O-N 3.08Å; S243-L245 PolarHBondContact OG-O 3.01Å; S243-L245 VanDerWaalsContact OG-O 3.08Å; S243-S443 PolarHBondContact O-OG 3.02Å
244	G	84.1	Confident	89.4	Confident	18 Å²	18	32.8 Å²	32.8	19%	0.186	17%	0.17	C	C	.	.	S	Bend	trans	82	-15.6	-176.6	0	0	0	0	0	115.2	A182	A182-G244 PolarHBondContact N-O 2.84Å
245	L	89.3	Confident	88.8	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	123.2	-177.3	173.9	63.3	0	0	0	110.8	M179 I180 M181 D218 G219 L220 S243 L445	M179-L245 HydrophobicContact CB-CD1 4.3Å; I180-L245 WeakPolarHBondContact O-CA 3.21Å; M181-L245 HydrophobicContact CG-CD1 3.88Å; D218-L245 CarbonylContact C-O 3.57Å; G219-L245 WeakPolarHBondContact CA-O 3.46Å; G219-L245 PolarHBondContact N-O 3.29Å; L220-L245 HydrophobicContact CB-CD2 4.48Å; L220-L245 HydrophobicContact CD2-CD2 3.81Å; L220-L245 HydrophobicContact CG-CD2 3.76Å; S243-L245 PolarHBondContact O-N 3.08Å; S243-L245 PolarHBondContact OG-O 3.01Å; S243-L245 VanDerWaalsContact OG-O 3.08Å; L245-L445 HydrophobicContact CB-CD1 4.02Å; L245-L445 HydrophobicContact CB-CD2 4.07Å; L245-L445 HydrophobicContact CB-CG 4.03Å; L245-L445 HydrophobicContact CD2-CD2 3.8Å; L245-L445 HydrophobicContact CD2-CG 4.08Å; L245-L445 HydrophobicContact CG-CD2 4.49Å
246	L	93.1	Very high	88.4	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.2	172.3	-173.6	71.6	0	0	0	108.6	I180 I188 L190 V216 I227 I239	I180-L246 HydrophobicContact CB-CB 4.46Å; I180-L246 WeakPolarHBondContact CB-O 3.31Å; I180-L246 HydrophobicContact CD1-CB 4.47Å; I180-L246 HydrophobicContact CD1-CD2 4.16Å; I180-L246 PolarHBondContact N-O 2.89Å; I180-L246 PolarHBondContact O-N 3.03Å; I188-L246 HydrophobicContact CD1-CB 3.89Å; I188-L246 HydrophobicContact CG2-CB 4.13Å; I188-L246 HydrophobicContact CG2-CD2 3.8Å; L190-L246 HydrophobicContact CB-CD2 3.81Å; L190-L246 HydrophobicContact CD2-CD2 4Å; V216-L246 HydrophobicContact CG1-CD1 3.85Å; V216-L246 HydrophobicContact CG1-CG 4.25Å; I227-L246 HydrophobicContact CD1-CD1 3.67Å; I239-L246 HydrophobicContact CG2-CD1 4.15Å; I239-L246 HydrophobicContact CG2-CD2 4.32Å
247	S	93.1	Very high	88.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.8	-179.2	-50.9	0	0	0	0	111.8	Y178 V216 W217 G219	Y178-S247 CarbonylContact O-C 3.53Å; Y178-S247 WeakPolarHBondContact O-CA 3.46Å; V216-S247 CarbonylContact C-O 3.56Å; V216-S247 WeakPolarHBondContact CA-O 3.29Å; W217-S247 PolarHBondContact N-O 2.71Å; W217-S247 PolarHBondContact O-N 2.84Å; G219-S247 WeakPolarHBondContact O-CB 3.49Å; G219-S247 PolarHBondContact O-OG 3.1Å
248	L	94.9	Very high	88.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.3	173.3	-59.6	72.7	0	0	0	108.6	I161 S177 Y178 I180 L190 F192 L214 E215 V216	I161-L248 HydrophobicContact CD1-CD1 4.27Å; S177-L248 WeakPolarHBondContact CA-O 3.45Å; Y178-L248 HydrophobicContact CD2-CB 4.22Å; Y178-L248 PolarHBondContact N-O 2.97Å; Y178-L248 PolarHBondContact O-N 3.04Å; I180-L248 HydrophobicContact CD1-CD1 4.03Å; L190-L248 HydrophobicContact CD2-CD1 4.18Å; L190-L248 HydrophobicContact CD2-CD2 4.06Å; L190-L248 HydrophobicContact CD2-CG 4.3Å; F192-L248 HydrophobicContact CZ-CD2 4.44Å; L214-L248 HydrophobicContact CD1-CB 4.18Å; L214-L248 HydrophobicContact CD1-CD2 4.48Å; L214-L248 HydrophobicContact CD2-CD2 4.39Å; E215-L248 CarbonylContact O-C 3.48Å; E215-L248 VanDerWaalsContact O-CA 3.3Å; E215-L248 WeakPolarHBondContact O-CA 3.41Å; V216-L248 HydrophobicContact CG1-CG 4.43Å; V216-L248 HydrophobicContact CG2-CG 4.35Å
249	S	92.5	Very high	88.1	Confident	20 Å²	20	30.2 Å²	30.2	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.4	173	-61.7	0	0	0	0	109.1	C176 L214 E215	C176-S249 CarbonylContact O-C 3.56Å; C176-S249 WeakPolarHBondContact O-CA 3.18Å; L214-S249 WeakPolarHBondContact CA-O 3.43Å; E215-S249 PolarHBondContact N-O 2.89Å; E215-S249 PolarHBondContact O-N 2.82Å
250	F	93.5	Very high	88.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.1	179.7	175.4	-130.9	0	0	0	109.5	Y170 L174 C176 Y178 L197 W213 L214 T252 F261	Y170-F250 HydrophobicContact CD1-CZ 4.07Å; Y170-F250 HydrophobicContact CD2-CZ 4.14Å; Y170-F250 HydrophobicContact CE1-CZ 4.42Å; Y170-F250 HydrophobicContact CE2-CZ 4.48Å; Y170-F250 HydrophobicContact CG-CE1 4.43Å; Y170-F250 AromaticContact CG-CZ 3.91Å; Y170-F250 HydrophobicContact CG-CZ 3.91Å; L174-F250 HydrophobicContact CD1-CD1 4.29Å; L174-F250 HydrophobicContact CD1-CE1 3.75Å; C176-F250 HydrophobicContact CB-CB 4.09Å; C176-F250 HydrophobicContact CB-CD1 4.31Å; C176-F250 PolarHBondContact N-O 3.1Å; C176-F250 PolarHBondContact O-N 2.87Å; Y178-F250 HydrophobicContact CE2-CB 4.1Å; L197-F250 HydrophobicContact CD1-CD2 4.29Å; L197-F250 HydrophobicContact CD1-CE2 3.89Å; L197-F250 HydrophobicContact CD2-CE2 3.55Å; L197-F250 HydrophobicContact CD2-CZ 3.98Å; L197-F250 HydrophobicContact CG-CE2 4.39Å; W213-F250 WeakPolarHBondContact O-CD2 3.46Å; L214-F250 HydrophobicContact CD1-CB 3.72Å; L214-F250 HydrophobicContact CD1-CD2 4.42Å; L214-F250 HydrophobicContact CD1-CG 4.42Å; F250-T252 HydrophobicContact CD1-CG2 4.49Å; F250-T252 HydrophobicContact CD2-CG2 4.4Å; F250-T252 HydrophobicContact CE1-CG2 3.72Å; F250-T252 HydrophobicContact CE2-CG2 3.59Å; F250-T252 HydrophobicContact CZ-CG2 3.21Å; F250-F261 HydrophobicContact CB-CE1 4.15Å; F250-F261 AromaticContact CD1-CE1 3.97Å; F250-F261 HydrophobicContact CD1-CE1 3.97Å; F250-F261 HydrophobicContact CD2-CD1 4.49Å; F250-F261 AromaticContact CD2-CE1 3.99Å; F250-F261 HydrophobicContact CD2-CE1 3.99Å; F250-F261 HydrophobicContact CE1-CE1 4.34Å; F250-F261 HydrophobicContact CE2-CE1 4.38Å; F250-F261 AromaticContact CG-CE1 3.77Å; F250-F261 HydrophobicContact CG-CE1 3.77Å
251	H	90.6	Very high	88.4	Confident	42 Å²	42	26.6 Å²	26.6	19%	0.194	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.6	179	-177.5	90.5	0	0	0	109.4	L174 E175 W213	L174-H251 WeakPolarHBondContact O-CA 3.34Å; E175-H251 VanDerWaalsContact CD-ND1 3.33Å; E175-H251 IonicContact OE1-CE1 3.35Å; E175-H251 PolarHBondContact OE1-CE1 2.91Å; E175-H251 VanDerWaalsContact OE1-CE1 3.31Å; E175-H251 IonicContact OE1-ND1 2.75Å; E175-H251 PolarHBondContact OE1-ND1 2.91Å; E175-H251 IonicContact OE2-ND1 3.66Å; W213-H251 HydrophobicContact CD2-CB 3.96Å; W213-H251 AromaticContact CE2-CG 3.86Å; W213-H251 HydrophobicContact CE3-CB 4.5Å; W213-H251 AromaticContact CE3-CD2 3.9Å; W213-H251 HydrophobicContact CG-CB 4.35Å; W213-H251 HydrophobicContact CH2-CB 4.31Å; W213-H251 AromaticContact CH2-CD2 3.31Å; W213-H251 WeakPolarHBondContact CH2-CD2 3.03Å; W213-H251 AromaticContact CH2-CG 3.7Å; W213-H251 AromaticContact CH2-NE2 3.61Å; W213-H251 HydrophobicContact CZ2-CB 3.75Å; W213-H251 AromaticContact CZ2-CD2 3.67Å; W213-H251 AromaticContact CZ2-CG 3.55Å; W213-H251 AromaticContact CZ3-CD2 3.44Å; W213-H251 VanDerWaalsContact CZ3-CD2 3.44Å; W213-H251 WeakPolarHBondContact CZ3-CD2 3.1Å; W213-H251 AromaticContact CZ3-NE2 3.95Å; W213-H251 PolarHBondContact N-O 2.91Å; W213-H251 VanDerWaalsContact N-O 3.09Å; W213-H251 PolarHBondContact O-N 3.46Å
252	T	88.8	Confident	88.7	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.006	16%	0.157	C	C	.	.			trans	-130.2	143.9	169.6	70.1	0	0	0	0	113.2	Y170 P171 N173 L174 D212 F250	Y170-T252 HydrophobicContact CD2-CG2 3.52Å; Y170-T252 HydrophobicContact CE2-CG2 3.63Å; Y170-T252 HydrophobicContact CG-CG2 4.35Å; P171-T252 PolarHBondContact O-OG1 3.28Å; N173-T252 WeakPolarHBondContact CA-O 3.3Å; N173-T252 PolarHBondContact N-O 2.05Å; N173-T252 PolarHBondContact N-OG1 3.25Å; L174-T252 HydrophobicContact CB-CG2 4.17Å; L174-T252 VanDerWaalsContact CB-OG1 3.3Å; L174-T252 WeakPolarHBondContact CB-OG1 3.26Å; L174-T252 HydrophobicContact CD1-CG2 4.18Å; L174-T252 PolarHBondContact N-OG1 2.52Å; L174-T252 PolarHBondContact O-N 3.2Å; D212-T252 WeakPolarHBondContact OD1-CA 3.32Å; D212-T252 VanDerWaalsContact OD1-CB 3.22Å; D212-T252 WeakPolarHBondContact OD1-CB 3.38Å; F250-T252 HydrophobicContact CD1-CG2 4.49Å; F250-T252 HydrophobicContact CD2-CG2 4.4Å; F250-T252 HydrophobicContact CE1-CG2 3.72Å; F250-T252 HydrophobicContact CE2-CG2 3.59Å; F250-T252 HydrophobicContact CZ-CG2 3.21Å
253	D	84.1	Confident	89.2	Confident	33 Å²	33	25.8 Å²	25.8	18%	0.176	15%	0.149	C	C	.	.			trans	-76.6	176.6	-179.5	156.6	-69	0	0	0	111.4	H172 N173 D212 A255	H172-D253 CarbonylContact C-O 3.53Å; H172-D253 VanDerWaalsContact CA-O 3.3Å; H172-D253 WeakPolarHBondContact CA-O 3.47Å; H172-D253 VanDerWaalsContact CB-O 3.29Å; H172-D253 WeakPolarHBondContact CB-O 3.47Å; N173-D253 PolarHBondContact N-O 2.82Å; D212-D253 PolarHBondContact OD1-N 3.31Å; D253-A255 PolarHBondContact O-N 3.49Å; D253-A255 WeakPolarHBondContact OD1-CA 3.13Å; D253-A255 WeakPolarHBondContact OD1-CB 3.11Å; D253-A255 PolarHBondContact OD1-N 3.47Å
254	M	78.3	Confident	89.9	Confident	147 Å²	147	31.3 Å²	31.3	72%	0.724	17%	0.169	S	C	*	.	S	Bend	trans	-75.7	2.1	179.1	42.9	-178.7	157.6	0	0	115.2
255	A	75.8	Confident	90.5	Very high	41 Å²	41	30.6 Å²	30.6	34%	0.339	16%	0.16	S	C	.	.	S	Bend	trans	-145.1	-174.1	-173.4	0	0	0	0	0	113.9	H172 D253 A257	H172-A255 PolarHBondContact CE1-O 3.45Å; H172-A255 VanDerWaalsContact ND1-C 3.28Å; H172-A255 PolarHBondContact ND1-O 3.04Å; D253-A255 PolarHBondContact O-N 3.49Å; D253-A255 WeakPolarHBondContact OD1-CA 3.13Å; D253-A255 WeakPolarHBondContact OD1-CB 3.11Å; D253-A255 PolarHBondContact OD1-N 3.47Å; A255-A257 PolarHBondContact O-N 3.15Å; A255-A257 VanDerWaalsContact O-N 3.13Å
256	V	81.9	Confident	90.8	Very high	80 Å²	80	33.6 Å²	33.6	49%	0.485	18%	0.177	S	C	.	.			trans	35.3	56.5	167.2	-156.7	0	0	0	0	118.5	E198	E198-V256 VanDerWaalsContact OE1-CB 3.24Å; E198-V256 WeakPolarHBondContact OE1-CB 3.4Å; E198-V256 WeakPolarHBondContact OE1-CG1 3.38Å; E198-V256 WeakPolarHBondContact OE1-CG2 3.4Å
257	A	84.7	Confident	90.8	Very high	14 Å²	14	34.3 Å²	34.3	12%	0.116	18%	0.18	C	C	.	.			trans	-64.4	142.6	175.3	0	0	0	0	0	113.3	K169 Y170 H172 A255	K169-A257 HydrophobicContact CB-CB 4.21Å; K169-A257 WeakPolarHBondContact CD-O 3.01Å; K169-A257 PolarHBondContact NZ-O 3.21Å; Y170-A257 HydrophobicContact CD2-CB 4Å; Y170-A257 HydrophobicContact CE2-CB 3.98Å; Y170-A257 WeakPolarHBondContact O-CB 3.47Å; H172-A257 PolarHBondContact CE1-N 2.94Å; A255-A257 PolarHBondContact O-N 3.15Å; A255-A257 VanDerWaalsContact O-N 3.13Å
258	K	91.6	Very high	90.8	Very high	44 Å²	44	37.2 Å²	37.2	19%	0.191	20%	0.198	C	C	.	.			trans	-112.8	-173.9	174.3	-62.8	-58.4	-148.7	72.1	0	111.6	K169 Y170 D196 L197 G260	K169-K258 VanDerWaalsContact CA-O 3.27Å; K169-K258 WeakPolarHBondContact CA-O 3.44Å; K169-K258 WeakPolarHBondContact CB-O 3.47Å; K169-K258 WeakPolarHBondContact CG-O 3.42Å; Y170-K258 WeakPolarHBondContact CD1-O 3.32Å; Y170-K258 HydrophobicContact CE1-CB 3.71Å; Y170-K258 VanDerWaalsContact CE1-O 3.28Å; Y170-K258 WeakPolarHBondContact CE1-O 3.27Å; Y170-K258 PolarHBondContact N-O 3.47Å; Y170-K258 WeakPolarHBondContact OH-CB 3.25Å; Y170-K258 PolarHBondContact OH-N 3.31Å; D196-K258 HydrophobicContact CB-CB 4.47Å; D196-K258 WeakPolarHBondContact O-CB 3.49Å; D196-K258 IonicContact OD1-NZ 3.3Å; D196-K258 PolarHBondContact OD1-NZ 3.08Å; D196-K258 WeakPolarHBondContact OD2-CB 3.3Å; D196-K258 IonicContact OD2-NZ 3.48Å; D196-K258 PolarHBondContact OD2-NZ 2.87Å; L197-K258 VanDerWaalsContact C-CG 3.46Å; K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.21Å
259	D	90.9	Very high	90.3	Very high	83 Å²	83	43.5 Å²	43.5	44%	0.444	23%	0.227	S	C	.	.			trans	-77.5	-11.9	-173.8	-61.6	1.9	0	0	0	112.6	F166 K169	F166-D259 VanDerWaalsContact CD2-O 3.31Å; F166-D259 WeakPolarHBondContact CD2-O 3.13Å; K169-D259 WeakPolarHBondContact CE-OD1 3.31Å
260	G	93.6	Very high	89.6	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.2	-150.6	168	0	0	0	0	0	114.6	S163 Y170 F195 D196 K258	S163-G260 WeakPolarHBondContact OG-CA 3.42Å; Y170-G260 VanDerWaalsContact CD1-CA 3.49Å; F195-G260 CarbonylContact C-O 3.58Å; F195-G260 WeakPolarHBondContact CA-O 3.5Å; D196-G260 PolarHBondContact N-O 2.82Å; D196-G260 WeakPolarHBondContact O-CA 3.47Å; D196-G260 PolarHBondContact O-N 3.42Å; K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.21Å
261	F	96.1	Very high	88.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.4	-179.3	74	-90.1	0	0	0	112.6	I161 E162 S163 Y178 F192 T194 F195 L214 F250 A263	I161-F261 HydrophobicContact CG2-CE2 4.19Å; E162-F261 VanDerWaalsContact CA-O 3.31Å; E162-F261 WeakPolarHBondContact CA-O 3.38Å; S163-F261 PolarHBondContact N-O 3.48Å; S163-F261 PolarHBondContact OG-N 2.89Å; S163-F261 PolarHBondContact OG-O 3.1Å; Y178-F261 AromaticContact CE2-CZ 3.96Å; Y178-F261 HydrophobicContact CE2-CZ 3.96Å; F192-F261 HydrophobicContact CE1-CD2 4.16Å; T194-F261 WeakPolarHBondContact O-CA 3.29Å; F195-F261 HydrophobicContact CD2-CB 3.68Å; F195-F261 HydrophobicContact CE2-CB 4.25Å; L214-F261 HydrophobicContact CD1-CE1 3.89Å; L214-F261 HydrophobicContact CD1-CZ 3.87Å; L214-F261 HydrophobicContact CD2-CD1 4.4Å; L214-F261 HydrophobicContact CD2-CD2 4.37Å; L214-F261 HydrophobicContact CD2-CE1 4.39Å; L214-F261 HydrophobicContact CD2-CE2 4.36Å; L214-F261 HydrophobicContact CD2-CG 4.4Å; L214-F261 HydrophobicContact CD2-CZ 4.37Å; F250-F261 HydrophobicContact CB-CE1 4.15Å; F250-F261 AromaticContact CD1-CE1 3.97Å; F250-F261 HydrophobicContact CD1-CE1 3.97Å; F250-F261 HydrophobicContact CD2-CD1 4.49Å; F250-F261 AromaticContact CD2-CE1 3.99Å; F250-F261 HydrophobicContact CD2-CE1 3.99Å; F250-F261 HydrophobicContact CE1-CE1 4.34Å; F250-F261 HydrophobicContact CE2-CE1 4.38Å; F250-F261 AromaticContact CG-CE1 3.77Å; F250-F261 HydrophobicContact CG-CE1 3.77Å; F261-A263 HydrophobicContact CD2-CB 4.46Å
262	S	96.3	Very high	87.3	Confident	6 Å²	6	54 Å²	54	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.6	167.2	178.1	0	0	0	0	108.8	M160 E162 L193 T194	M160-S262 WeakPolarHBondContact CE-OG 3.49Å; E162-S262 WeakPolarHBondContact OE1-CB 3.1Å; E162-S262 PolarHBondContact OE1-OG 3.07Å; L193-S262 WeakPolarHBondContact CB-O 3.24Å; L193-S262 PolarHBondContact N-O 2.89Å; T194-S262 PolarHBondContact N-O 2.99Å; T194-S262 PolarHBondContact O-N 2.85Å; T194-S262 WeakPolarHBondContact OG1-CB 3.36Å; T194-S262 PolarHBondContact OG1-N 3.41Å; T194-S262 VanDerWaalsContact OG1-N 3.12Å
263	A	96.8	Very high	86.1	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.2	-176.8	0	0	0	0	0	110.8	M160 I161 L190 T191 F192 F261	M160-A263 CarbonylContact C-O 3.59Å; M160-A263 WeakPolarHBondContact CA-O 3.2Å; M160-A263 WeakPolarHBondContact CE-O 3.24Å; I161-A263 PolarHBondContact N-O 2.9Å; I161-A263 PolarHBondContact O-N 2.96Å; L190-A263 HydrophobicContact CD1-CB 4.02Å; T191-A263 CarbonylContact O-C 3.59Å; T191-A263 WeakPolarHBondContact O-CA 2.98Å; F192-A263 HydrophobicContact CD1-CB 3.69Å; F192-A263 HydrophobicContact CE1-CB 3.85Å; F192-A263 HydrophobicContact CG-CB 4.21Å; F261-A263 HydrophobicContact CD2-CB 4.46Å
264	R	97	Very high	85	Confident	123 Å²	123	64 Å²	64	46%	0.464	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	175.7	178.5	-170.8	58.9	-156.7	-11.3	109.4	G159 M160 T191	G159-R264 WeakPolarHBondContact O-CA 3.46Å; M160-R264 HydrophobicContact CE-CB 4.45Å; M160-R264 HydrophobicContact SD-CB 3.69Å; M160-R264 HydrophobicContact SD-CG 4.08Å; T191-R264 PolarHBondContact N-O 3.47Å; T191-R264 PolarHBondContact O-N 2.8Å; T191-R264 PolarHBondContact OG1-NE 2.88Å; T191-R264 PolarHBondContact OG1-NH2 2.9Å; T191-R264 PolarHBondContact OG1-O 2.76Å
265	Y	96.7	Very high	84.5	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	152.2	168.7	76.6	-82.4	0	0	0	111.2	F154 S156 S158 G159 I161 I180 T189 I267	F154-Y265 HydrophobicContact CB-CE1 4.05Å; F154-Y265 HydrophobicContact CB-CE2 4.31Å; F154-Y265 AromaticContact CD1-CE1 3.6Å; F154-Y265 HydrophobicContact CD1-CE1 3.6Å; F154-Y265 AromaticContact CD1-CZ 3.91Å; F154-Y265 HydrophobicContact CE1-CE1 4.3Å; F154-Y265 AromaticContact CG-CE1 3.97Å; F154-Y265 HydrophobicContact CG-CE1 3.97Å; S156-Y265 WeakPolarHBondContact O-CE2 3.33Å; S158-Y265 VanDerWaalsContact CA-O 3.31Å; S158-Y265 WeakPolarHBondContact CA-O 3.36Å; S158-Y265 VanDerWaalsContact CB-O 3.32Å; S158-Y265 WeakPolarHBondContact CB-O 3.28Å; S158-Y265 PolarHBondContact O-OH 2.73Å; G159-Y265 VanDerWaalsContact C-CE1 3.46Å; G159-Y265 PolarHBondContact N-O 3.21Å; G159-Y265 VanDerWaalsContact N-O 3.1Å; G159-Y265 VanDerWaalsContact O-CD1 3.28Å; G159-Y265 WeakPolarHBondContact O-CD1 3.3Å; G159-Y265 PolarHBondContact O-N 2.76Å; I161-Y265 HydrophobicContact CD1-CD1 3.95Å; I161-Y265 HydrophobicContact CG1-CD1 3.9Å; I161-Y265 HydrophobicContact CG1-CE1 4.27Å; I180-Y265 HydrophobicContact CD1-CD1 4.47Å; I180-Y265 HydrophobicContact CD1-CD2 4.45Å; I180-Y265 HydrophobicContact CD1-CG 3.98Å; I180-Y265 HydrophobicContact CG1-CD2 4.4Å; I180-Y265 HydrophobicContact CG1-CG 4.22Å; I180-Y265 HydrophobicContact CG2-CD2 3.65Å; I180-Y265 HydrophobicContact CG2-CE2 3.99Å; I180-Y265 HydrophobicContact CG2-CG 4.27Å; T189-Y265 CarbonylContact O-C 3.56Å; T189-Y265 VanDerWaalsContact O-CA 3.29Å; T189-Y265 WeakPolarHBondContact O-CA 3.45Å; Y265-I267 HydrophobicContact CD2-CD1 4.42Å; Y265-I267 HydrophobicContact CD2-CG1 4.07Å; Y265-I267 HydrophobicContact CE2-CD1 4.15Å; Y265-I267 HydrophobicContact CE2-CG1 4.2Å
266	N	96	Very high	84.5	Confident	67 Å²	67	62.6 Å²	62.6	36%	0.358	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.5	175.3	-170.7	45.4	0	0	0	108.9	P157 T189 T268	P157-N266 PolarHBondContact O-OD1 2.04Å; T189-N266 PolarHBondContact N-O 2.91Å; T189-N266 PolarHBondContact O-N 2.87Å; N266-T268 VanDerWaalsContact ND2-CG2 3.32Å; N266-T268 WeakPolarHBondContact ND2-CG2 3.4Å
267	I	94.4	Very high	84.6	Confident	14 Å²	14	65.2 Å²	65.2	7%	0.072	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.3	-178.9	-54.3	-177.3	0	0	0	107	S156 P157 I180 A182 M186 D187 Y265	S156-I267 WeakPolarHBondContact O-CD1 3.32Å; P157-I267 PolarHBondContact O-N 3.22Å; I180-I267 HydrophobicContact CG2-CD1 4.06Å; I180-I267 HydrophobicContact CG2-CG1 4.42Å; A182-I267 HydrophobicContact CB-CD1 4.44Å; A182-I267 HydrophobicContact CB-CG2 3.87Å; M186-I267 HydrophobicContact CB-CG2 3.64Å; M186-I267 HydrophobicContact CG-CG2 4.31Å; M186-I267 HydrophobicContact SD-CG2 3.76Å; D187-I267 WeakPolarHBondContact O-CA 3.19Å; Y265-I267 HydrophobicContact CD2-CD1 4.42Å; Y265-I267 HydrophobicContact CD2-CG1 4.07Å; Y265-I267 HydrophobicContact CE2-CD1 4.15Å; Y265-I267 HydrophobicContact CE2-CG1 4.2Å
268	T	91.8	Very high	84.8	Confident	61 Å²	61	66.1 Å²	66.1	37%	0.374	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140	-174.1	46.4	0	0	0	0	111.3	M186 D187 N266 K270	M186-T268 CarbonylContact C-O 3.52Å; M186-T268 VanDerWaalsContact CA-O 3.3Å; M186-T268 WeakPolarHBondContact CA-O 3.26Å; D187-T268 PolarHBondContact N-O 3.01Å; D187-T268 PolarHBondContact O-N 3.17Å; N266-T268 VanDerWaalsContact ND2-CG2 3.32Å; N266-T268 WeakPolarHBondContact ND2-CG2 3.4Å; T268-K270 PolarHBondContact O-N 2.87Å
269	H	85.8	Confident	84.8	Confident	133 Å²	133	67.4 Å²	67.4	62%	0.616	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	135.9	174	-158.9	-67	0	0	0	110.5
270	K	76.8	Confident	84.8	Confident	17 Å²	17	67 Å²	67	7%	0.074	36%	0.364	C	S	.	.			trans	-69.7	128.9	177.3	-168	179.3	-140.7	68.2	0	110.2	H185 D187 T268 V272 T431	H185-K270 WeakPolarHBondContact O-CB 3.49Å; H185-K270 PolarHBondContact O-N 2.91Å; D187-K270 IonicContact OD1-NZ 2.78Å; D187-K270 PolarHBondContact OD1-NZ 2.88Å; D187-K270 IonicContact OD2-NZ 3.42Å; D187-K270 PolarHBondContact OD2-NZ 2.94Å; T268-K270 PolarHBondContact O-N 2.87Å; K270-V272 HydrophobicContact CD-CG2 4.1Å; K270-V272 HydrophobicContact CG-CG2 4.14Å; K270-V272 PolarHBondContact O-N 3.04Å; K270-T431 WeakPolarHBondContact CE-O 3.47Å; K270-T431 PolarHBondContact NZ-OG1 2.76Å
271	E	70.9	Confident	84.9	Confident	192 Å²	192	69.4 Å²	69.4	90%	0.897	38%	0.384	S	S	*	.			trans	-89.5	95.2	171.3	-68.9	-170.5	169.6	0	0	109.9	A273	E271-A273 PolarHBondContact O-N 3.25Å
272	V	65.6	Low	84.9	Confident	72 Å²	72	70.4 Å²	70.4	44%	0.436	39%	0.389	S	S	.	.			trans	-85.7	103.6	172.9	-176.1	0	0	0	0	108.8	K270 P434	K270-V272 HydrophobicContact CD-CG2 4.1Å; K270-V272 HydrophobicContact CG-CG2 4.14Å; K270-V272 PolarHBondContact O-N 3.04Å; V272-P434 HydrophobicContact CG1-CB 4.43Å
273	A	63.4	Low	84.8	Confident	65 Å²	65	70.1 Å²	70.1	54%	0.537	39%	0.387	S	S	.	.			trans	-73.8	137.3	178.5	0	0	0	0	0	112.3	E271 S275 F276	E271-A273 PolarHBondContact O-N 3.25Å; A273-S275 PolarHBondContact O-N 3.35Å; A273-F276 PolarHBondContact O-N 2.99Å
274	D	61.1	Low	84.8	Confident	181 Å²	181	70.1 Å²	70.1	97%	0.968	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27.1	-178.7	-65.3	-45.2	0	0	0	114.3
275	S	67.3	Low	84.8	Confident	85 Å²	85	69.2 Å²	69.2	59%	0.594	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	62	178.9	64	0	0	0	0	112.1	A273 H277	A273-S275 PolarHBondContact O-N 3.35Å; S275-H277 PolarHBondContact O-N 3.26Å
276	F	75.9	Confident	84.8	Confident	73 Å²	73	72.9 Å²	72.9	32%	0.32	41%	0.414	S	S	.	.			trans	-60	119.4	177.8	-179.4	-105.8	0	0	0	112.5	A273 C278 C428 G432 A433	A273-F276 PolarHBondContact O-N 2.99Å; F276-C278 HydrophobicContact CE1-CB 4.14Å; F276-C278 HydrophobicContact CZ-CB 4.24Å; F276-C428 HydrophobicContact CE2-CB 4.2Å; F276-C428 HydrophobicContact CZ-CB 3.8Å; F276-C428 VanDerWaalsContact CZ-SG 3.6Å; F276-G432 WeakPolarHBondContact CD2-O 3.31Å; F276-G432 WeakPolarHBondContact CE2-O 3.3Å; F276-A433 HydrophobicContact CD1-CB 4.03Å; F276-A433 HydrophobicContact CE1-CB 3.65Å; F276-A433 HydrophobicContact CZ-CB 4.14Å
277	H	83.4	Confident	84.6	Confident	135 Å²	135	71.8 Å²	71.8	63%	0.625	42%	0.419	S	S	*	.			trans	-129.1	112.6	175.8	-70.1	-26.1	0	0	0	110.3	S275 S279	S275-H277 PolarHBondContact O-N 3.26Å; H277-S279 PolarHBondContact O-N 3.37Å
278	C	88.9	Confident	84.4	Confident	32 Å²	32	78.5 Å²	78.5	22%	0.216	45%	0.448	C	S	.	.	S	Bend	trans	-76.1	68.7	179.5	-169.6	0	0	0	0	111.9	F276 T341 C428	F276-C278 HydrophobicContact CE1-CB 4.14Å; F276-C278 HydrophobicContact CZ-CB 4.24Å; C278-T341 HydrophobicContact CB-CG2 4.27Å; C278-T341 WeakPolarHBondContact O-CB 3.04Å; C278-T341 WeakPolarHBondContact O-CG2 3.4Å; C278-T341 PolarHBondContact O-OG1 3.3Å; C278-C428 HydrophobicContact CB-CB 3.83Å; C278-C428 WeakPolarHBondContact CB-SG 3.37Å; C278-C428 WeakPolarHBondContact SG-CB 3.45Å; C278-C428 PolarHBondContact SG-N 3.47Å; C278-C428 VanDerWaalsContact SG-N 3.37Å; C278-C428 CovalentContact SG-SG 2.04Å; C278-C428 PolarHBondContact SG-SG 3.39Å
279	S	91.4	Very high	84.5	Confident	71 Å²	71	75.6 Å²	75.6	50%	0.497	43%	0.43	S	S	.	.			trans	-146.3	13.4	179.7	54.2	0	0	0	0	113.7	H277 H426 G427	H277-S279 PolarHBondContact O-N 3.37Å; S279-H426 PolarHBondContact O-ND1 2.61Å; S279-G427 PolarHBondContact N-O 3.33Å
280	S	92.4	Very high	84.8	Confident	75 Å²	75	70.4 Å²	70.4	52%	0.524	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	146.5	178.3	-59.1	0	0	0	0	111.1	H426 G427	S280-H426 CarbonylContact O-C 3.54Å; S280-H426 WeakPolarHBondContact O-CA 3.42Å; S280-G427 PolarHBondContact N-O 3.06Å; S280-G427 VanDerWaalsContact N-O 3.1Å; S280-G427 PolarHBondContact O-N 3.04Å
281	A	95.5	Very high	85.5	Confident	53 Å²	53	72 Å²	72	44%	0.438	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.5	169.6	0	0	0	0	0	110.1	E424	A281-E424 HydrophobicContact CB-CG 3.76Å
282	L	94.9	Very high	86.3	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.11	39%	0.39	C	S	.	.			trans	-86	-23.7	-174.5	-66.3	-174.2	0	0	0	113.2	I289 L334 K338 L340 E424 L425	L282-I289 HydrophobicContact CB-CD1 4.26Å; L282-L334 HydrophobicContact CB-CD2 4.44Å; L282-L334 HydrophobicContact CD1-CD1 4.05Å; L282-L334 HydrophobicContact CD1-CD2 4.16Å; L282-K338 HydrophobicContact CD1-CD 4.46Å; L282-K338 HydrophobicContact CD2-CD 4.28Å; L282-L340 HydrophobicContact CD1-CD1 4.08Å; L282-E424 PolarHBondContact N-OE1 2.96Å; L282-L425 HydrophobicContact CB-CB 4.2Å; L282-L425 WeakPolarHBondContact CB-O 3.48Å; L282-L425 HydrophobicContact CD1-CB 3.97Å; L282-L425 HydrophobicContact CG-CB 4.32Å; L282-L425 WeakPolarHBondContact CG-O 3.39Å; L282-L425 PolarHBondContact N-O 3.07Å
283	G	95.6	Very high	87.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.372	C	S	.	.	S	Bend	trans	147.2	12.1	164.2	0	0	0	0	0	118.5	G287 K288 I289 E424	G283-G287 PolarHBondContact O-N 2.9Å; G283-K288 PolarHBondContact O-N 2.89Å; G283-I289 PolarHBondContact O-N 3.32Å; G283-I289 VanDerWaalsContact O-N 3.09Å; G283-E424 PolarHBondContact N-OE1 3.38Å; G283-E424 VanDerWaalsContact N-OE1 3.17Å
284	M	97	Very high	89.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-52.5	180	-62.2	-65	-66.3	0	0	111.3	I289 I294 R311 V332 F423 E424	M284-I289 HydrophobicContact CG-CD1 4.17Å; M284-I289 HydrophobicContact SD-CB 4.44Å; M284-I289 HydrophobicContact SD-CD1 3.98Å; M284-I289 HydrophobicContact SD-CG2 4.12Å; M284-I294 HydrophobicContact CE-CD1 3.67Å; M284-I294 HydrophobicContact CE-CG1 4.13Å; M284-I294 HydrophobicContact CE-CG2 4.39Å; M284-I294 HydrophobicContact SD-CD1 3.98Å; M284-I294 HydrophobicContact SD-CG1 4.2Å; M284-R311 HydrophobicContact CE-CG 4.5Å; M284-R311 WeakPolarHBondContact O-CB 3.29Å; M284-R311 VanDerWaalsContact O-CD 3.3Å; M284-R311 WeakPolarHBondContact O-CD 3.43Å; M284-R311 WeakPolarHBondContact O-CG 3.2Å; M284-R311 PolarHBondContact O-NH1 2.76Å; M284-V332 HydrophobicContact CE-CG2 4.37Å; M284-V332 HydrophobicContact SD-CG1 4.47Å; M284-V332 HydrophobicContact SD-CG2 3.9Å; M284-F423 WeakPolarHBondContact CB-O 3.36Å; M284-F423 HydrophobicContact CE-CD1 4.35Å; M284-F423 HydrophobicContact CE-CD2 4.29Å; M284-F423 HydrophobicContact CE-CE1 3.8Å; M284-F423 HydrophobicContact CE-CE2 3.73Å; M284-F423 HydrophobicContact CE-CZ 3.46Å; M284-F423 VanDerWaalsContact CE-CZ 3.46Å; M284-F423 HydrophobicContact CG-CD2 4.34Å; M284-F423 HydrophobicContact CG-CE2 4.21Å; M284-F423 HydrophobicContact SD-CE2 4.04Å; M284-F423 HydrophobicContact SD-CZ 4.24Å; M284-E424 WeakPolarHBondContact CA-OE2 3.37Å; M284-E424 HydrophobicContact CB-CB 4.39Å; M284-E424 WeakPolarHBondContact CB-OE1 3.31Å; M284-E424 WeakPolarHBondContact CG-OE1 3.5Å; M284-E424 VanDerWaalsContact N-CD 3.31Å; M284-E424 PolarHBondContact N-OE1 3.24Å; M284-E424 PolarHBondContact N-OE2 2.88Å
285	E	96.6	Very high	90.8	Very high	104 Å²	104	54.6 Å²	54.6	49%	0.486	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-36.1	-178.9	-175.4	169.9	-164.2	0	0	112.1	G287 L312 N313 E424	E285-G287 PolarHBondContact O-N 3.41Å; E285-L312 HydrophobicContact CB-CB 4.32Å; E285-N313 WeakPolarHBondContact OE1-CB 3.3Å; E285-N313 PolarHBondContact OE1-ND2 2.87Å; E285-E424 PolarHBondContact N-OE2 3.19Å
286	S	95.2	Very high	92.2	Very high	79 Å²	79	51.8 Å²	51.8	55%	0.552	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.1	-175.4	59.9	0	0	0	0	115.3	K288	S286-K288 PolarHBondContact O-N 3.48Å
287	G	92.1	Very high	93.1	Very high	45 Å²	45	50.1 Å²	50.1	46%	0.464	30%	0.301	S	S	.	.	S	Bend	trans	72.7	0.4	-178	0	0	0	0	0	115.5	G283 E285 I289	G283-G287 PolarHBondContact O-N 2.9Å; E285-G287 PolarHBondContact O-N 3.41Å; G287-I289 PolarHBondContact O-N 3.38Å
288	K	91.4	Very high	93.5	Very high	154 Å²	154	45.8 Å²	45.8	67%	0.67	28%	0.284	S	S	*	.			trans	-65.7	-23.6	176.6	-75.7	-168.8	173.2	-164.6	0	113.9	G283 S286	G283-K288 PolarHBondContact O-N 2.89Å; S286-K288 PolarHBondContact O-N 3.48Å
289	I	93.7	Very high	93.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	29%	0.288	C	S	.	.	S	Bend	trans	-92.8	119.1	163.4	-67.3	166.5	0	0	0	105.3	L282 G283 M284 G287 Q293 I294 R311 V332 L334	L282-I289 HydrophobicContact CB-CD1 4.26Å; G283-I289 PolarHBondContact O-N 3.32Å; G283-I289 VanDerWaalsContact O-N 3.09Å; M284-I289 HydrophobicContact CG-CD1 4.17Å; M284-I289 HydrophobicContact SD-CB 4.44Å; M284-I289 HydrophobicContact SD-CD1 3.98Å; M284-I289 HydrophobicContact SD-CG2 4.12Å; G287-I289 PolarHBondContact O-N 3.38Å; I289-Q293 HydrophobicContact CG2-CB 3.65Å; I289-I294 HydrophobicContact CG2-CD1 4.21Å; I289-I294 HydrophobicContact CG2-CG1 3.87Å; I289-R311 VanDerWaalsContact O-CZ 3.26Å; I289-R311 PolarHBondContact O-NH1 3.15Å; I289-R311 PolarHBondContact O-NH2 2.6Å; I289-V332 HydrophobicContact CD1-CG1 4.12Å; I289-V332 HydrophobicContact CG2-CG1 3.81Å; I289-L334 HydrophobicContact CD1-CD2 3.87Å
290	S	92.2	Very high	93.5	Very high	23 Å²	23	45.6 Å²	45.6	16%	0.161	28%	0.276	C	S	.	.			trans	-67.6	168.8	-178.4	83.4	0	0	0	0	111.9	D292 Q293 I294 R311	S290-D292 PolarHBondContact O-N 3.47Å; S290-D292 PolarHBondContact OG-N 3.05Å; S290-Q293 PolarHBondContact O-N 3.2Å; S290-Q293 PolarHBondContact OG-N 2.77Å; S290-I294 WeakPolarHBondContact O-CG1 3.5Å; S290-R311 PolarHBondContact O-NH2 3.26Å
291	D	91.9	Very high	93.2	Very high	51 Å²	51	50.5 Å²	50.5	27%	0.273	28%	0.284	S	S	.	.	S	Bend	trans	-67.5	-23.3	174.6	-79.1	-3.3	0	0	0	112.5	I294 R308 R311	D291-I294 PolarHBondContact O-N 3.04Å; D291-R308 HydrophobicContact CB-CB 4.09Å; D291-R308 VanDerWaalsContact CG-CB 3.48Å; D291-R308 WeakPolarHBondContact OD2-CD 3.18Å; D291-R308 IonicContact OD2-CZ 2.7Å; D291-R308 IonicContact OD2-NE 3.5Å; D291-R308 IonicContact OD2-NH1 2.7Å; D291-R308 PolarHBondContact OD2-NH1 3.48Å; D291-R311 IonicContact OD1-CZ 2.85Å; D291-R311 IonicContact OD1-NE 3.49Å; D291-R311 PolarHBondContact OD1-NE 2.88Å; D291-R311 IonicContact OD1-NH2 2.71Å; D291-R311 PolarHBondContact OD1-NH2 3.07Å
292	D	87.4	Confident	92.6	Very high	60 Å²	60	50.9 Å²	50.9	32%	0.321	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-29.5	-178.7	-47	-49.5	0	0	0	111.7	K234 S290 I294	K234-D292 WeakPolarHBondContact CE-OD1 3.3Å; K234-D292 WeakPolarHBondContact CE-OD2 3.39Å; K234-D292 IonicContact NZ-OD1 3.5Å; K234-D292 PolarHBondContact NZ-OD1 2.84Å; K234-D292 IonicContact NZ-OD2 2.73Å; S290-D292 PolarHBondContact O-N 3.47Å; S290-D292 PolarHBondContact OG-N 3.05Å; D292-I294 PolarHBondContact O-N 3.02Å
293	Q	92.5	Very high	92.1	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.061	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.5	172.4	-71.1	177.7	-95.6	0	0	113.3	I289 S290 V332 D333 H335	I289-Q293 HydrophobicContact CG2-CB 3.65Å; S290-Q293 PolarHBondContact O-N 3.2Å; S290-Q293 PolarHBondContact OG-N 2.77Å; Q293-V332 CarbonylContact O-C 3.6Å; Q293-V332 VanDerWaalsContact O-CA 3.26Å; Q293-V332 WeakPolarHBondContact O-CA 3.21Å; Q293-D333 WeakPolarHBondContact CB-O 2.95Å; Q293-D333 PolarHBondContact NE2-O 3.28Å; Q293-D333 PolarHBondContact O-N 2.9Å; Q293-H335 VanDerWaalsContact CD-CE1 3.42Å; Q293-H335 WeakPolarHBondContact CG-NE2 3.41Å
294	I	95.8	Very high	91.9	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.036	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	99.8	-174.7	-52.9	166.5	0	0	0	109.7	M284 I289 S290 D291 D292 P307 R311 I330 E331	M284-I294 HydrophobicContact CE-CD1 3.67Å; M284-I294 HydrophobicContact CE-CG1 4.13Å; M284-I294 HydrophobicContact CE-CG2 4.39Å; M284-I294 HydrophobicContact SD-CD1 3.98Å; M284-I294 HydrophobicContact SD-CG1 4.2Å; I289-I294 HydrophobicContact CG2-CD1 4.21Å; I289-I294 HydrophobicContact CG2-CG1 3.87Å; S290-I294 WeakPolarHBondContact O-CG1 3.5Å; D291-I294 PolarHBondContact O-N 3.04Å; D292-I294 PolarHBondContact O-N 3.02Å; I294-P307 HydrophobicContact CG2-CB 3.95Å; I294-P307 WeakPolarHBondContact CG2-O 3.25Å; I294-P307 WeakPolarHBondContact O-CB 3.36Å; I294-R311 HydrophobicContact CD1-CG 4.44Å; I294-I330 HydrophobicContact CG2-CD1 4.09Å; I294-I330 HydrophobicContact CG2-CG1 4.28Å; I294-E331 WeakPolarHBondContact CA-O 3.36Å
295	T	95.2	Very high	91.7	Very high	64 Å²	64	61.5 Å²	61.5	39%	0.393	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	171.2	-179.5	62.6	0	0	0	0	111	I330 E331	T295-I330 WeakPolarHBondContact O-CG1 3.34Å; T295-E331 PolarHBondContact N-O 3.43Å; T295-E331 PolarHBondContact O-N 2.81Å; T295-E331 VanDerWaalsContact O-O 3.13Å
296	A	96.3	Very high	91.7	Very high	26 Å²	26	58.6 Å²	58.6	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	164	177.7	0	0	0	0	0	111.6	T298 P307 W319 Y329 I330	A296-T298 VanDerWaalsContact C-N 3.33Å; A296-T298 PolarHBondContact O-N 3.04Å; A296-P307 HydrophobicContact CB-CB 4.35Å; A296-P307 HydrophobicContact CB-CG 3.76Å; A296-W319 HydrophobicContact CB-CZ2 4.01Å; A296-Y329 CarbonylContact C-O 3.59Å; A296-Y329 WeakPolarHBondContact CA-O 3.41Å; A296-Y329 WeakPolarHBondContact CB-O 3.36Å; A296-I330 HydrophobicContact CB-CG1 4.49Å
297	S	94.9	Very high	91.7	Very high	38 Å²	38	56 Å²	56	27%	0.266	30%	0.295	S	S	.	.	S	Bend	trans	-58.8	-44.7	173.4	53	0	0	0	0	112.4	E328 Y329	S297-E328 WeakPolarHBondContact CB-OE2 3.48Å; S297-E328 WeakPolarHBondContact OG-CA 3.32Å; S297-E328 WeakPolarHBondContact OG-CB 3.49Å; S297-E328 PolarHBondContact OG-OE2 3.17Å; S297-Y329 PolarHBondContact N-O 3.31Å; S297-Y329 PolarHBondContact OG-N 2.87Å; S297-Y329 PolarHBondContact OG-O 2.83Å
298	T	93.6	Very high	91.8	Very high	44 Å²	44	59.6 Å²	59.6	27%	0.27	29%	0.294	S	S	.	.			trans	-151.5	169.8	178.7	60.7	0	0	0	0	109.9	A296 W319 P321 S322 E328	A296-T298 VanDerWaalsContact C-N 3.33Å; A296-T298 PolarHBondContact O-N 3.04Å; T298-W319 PolarHBondContact O-NE1 3.42Å; T298-P321 WeakPolarHBondContact OG1-CA 3.41Å; T298-P321 WeakPolarHBondContact OG1-CB 3.45Å; T298-S322 VanDerWaalsContact CB-OG 3.31Å; T298-S322 WeakPolarHBondContact CB-OG 3.43Å; T298-S322 WeakPolarHBondContact CG2-OG 3.41Å; T298-S322 PolarHBondContact OG1-N 3.48Å; T298-S322 PolarHBondContact OG1-OG 2.98Å; T298-E328 WeakPolarHBondContact CG2-OE2 3.38Å; T298-E328 PolarHBondContact OG1-OE2 2.79Å
299	S	89.6	Confident	92	Very high	44 Å²	44	53 Å²	53	31%	0.308	27%	0.266	S	S	.	.			trans	-140.5	155.1	168.9	62	0	0	0	0	110.7	Y301 T320	S299-Y301 PolarHBondContact O-N 2.82Å; S299-T320 CarbonylContact C-O 3.54Å; S299-T320 WeakPolarHBondContact CA-O 3.44Å
300	F	89	Confident	92.2	Very high	55 Å²	55	53 Å²	53	24%	0.241	27%	0.266	C	S	.	.			trans	-65.2	129.8	-179.1	-161.6	-103.9	0	0	0	111.2	D302 N303 W305 T320	F300-D302 HydrophobicContact CD1-CB 3.68Å; F300-D302 HydrophobicContact CE1-CB 3.85Å; F300-D302 PolarHBondContact O-N 2.88Å; F300-N303 PolarHBondContact O-N 3Å; F300-W305 HydrophobicContact CB-CB 3.94Å; F300-W305 HydrophobicContact CB-CG 4.34Å; F300-W305 AromaticContact CD1-CD1 3.93Å; F300-T320 HydrophobicContact CB-CG2 4.32Å; F300-T320 HydrophobicContact CD2-CG2 4.21Å; F300-T320 PolarHBondContact N-O 2.89Å
301	Y	86.1	Confident	92.4	Very high	179 Å²	179	53.7 Å²	53.7	70%	0.702	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-16.6	-168.5	61.2	-98.1	0	0	0	116.2	S299 N303	S299-Y301 PolarHBondContact O-N 2.82Å; Y301-N303 VanDerWaalsContact C-N 3.29Å; Y301-N303 PolarHBondContact O-N 2.95Å
302	D	84.4	Confident	92.7	Very high	61 Å²	61	51.8 Å²	51.8	33%	0.326	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.3	-174.9	-164.5	38.1	0	0	0	113	F300 R304	F300-D302 HydrophobicContact CD1-CB 3.68Å; F300-D302 HydrophobicContact CE1-CB 3.85Å; F300-D302 PolarHBondContact O-N 2.88Å; D302-R304 PolarHBondContact O-N 3.46Å; D302-R304 IonicContact OD1-NE 2.7Å; D302-R304 IonicContact OD1-NH2 3.85Å; D302-R304 IonicContact OD2-CZ 3.59Å; D302-R304 IonicContact OD2-NE 3.13Å; D302-R304 PolarHBondContact OD2-NE 3.25Å; D302-R304 IonicContact OD2-NH2 3.75Å; D302-R304 PolarHBondContact OD2-NH2 3Å
303	N	84.8	Confident	93.1	Very high	116 Å²	116	52.6 Å²	52.6	62%	0.62	26%	0.259	S	S	*	.	S	Bend	trans	56.6	12.7	-178.9	-62.2	-57	0	0	0	115.9	F300 Y301 L306	F300-N303 PolarHBondContact O-N 3Å; Y301-N303 VanDerWaalsContact C-N 3.29Å; Y301-N303 PolarHBondContact O-N 2.95Å; N303-L306 WeakPolarHBondContact O-CD1 3.26Å; N303-L306 WeakPolarHBondContact O-CG 3.34Å
304	R	90.2	Very high	93.2	Very high	110 Å²	110	53.6 Å²	53.6	42%	0.415	27%	0.265	S	S	.	.	S	Bend	trans	-103.8	6	179.5	-71.3	-169.4	-73.6	-170.3	-7.2	114.7	D302 Q309 N317 E352	D302-R304 PolarHBondContact O-N 3.46Å; D302-R304 IonicContact OD1-NE 2.7Å; D302-R304 IonicContact OD1-NH2 3.85Å; D302-R304 IonicContact OD2-CZ 3.59Å; D302-R304 IonicContact OD2-NE 3.13Å; D302-R304 PolarHBondContact OD2-NE 3.25Å; D302-R304 IonicContact OD2-NH2 3.75Å; D302-R304 PolarHBondContact OD2-NH2 3Å; R304-Q309 PolarHBondContact O-NE2 2.76Å; R304-Q309 PolarHBondContact O-OE1 2.7Å; R304-N317 WeakPolarHBondContact O-CB 3.33Å; R304-N317 PolarHBondContact O-ND2 3.31Å; R304-N317 VanDerWaalsContact O-ND2 3.12Å; R304-E352 IonicContact CZ-OE1 3.91Å; R304-E352 IonicContact NE-OE1 2.84Å; R304-E352 IonicContact NH1-OE1 3.49Å
305	W	93.8	Very high	93.1	Very high	18 Å²	18	59.1 Å²	59.1	7%	0.068	30%	0.295	C	S	.	.	S	Bend	trans	-141.3	44.3	-179.8	-54.1	78.4	0	0	0	112.4	F300 Q309 N317 A318 T320 A348 Y357 A420	F300-W305 HydrophobicContact CB-CB 3.94Å; F300-W305 HydrophobicContact CB-CG 4.34Å; F300-W305 AromaticContact CD1-CD1 3.93Å; W305-Q309 VanDerWaalsContact CA-OE1 3.29Å; W305-Q309 VanDerWaalsContact N-OE1 3.15Å; W305-N317 HydrophobicContact CD2-CB 3.94Å; W305-N317 HydrophobicContact CE3-CB 3.84Å; W305-N317 HydrophobicContact CH2-CB 3.82Å; W305-N317 HydrophobicContact CZ2-CB 3.91Å; W305-N317 HydrophobicContact CZ3-CB 3.79Å; W305-A318 CarbonylContact C-O 3.54Å; W305-A318 WeakPolarHBondContact CA-O 3.44Å; W305-A318 WeakPolarHBondContact CB-O 3.33Å; W305-A318 HydrophobicContact CE3-CB 4.18Å; W305-A318 HydrophobicContact CZ3-CB 4.15Å; W305-T320 PolarHBondContact O-N 3.37Å; W305-T320 VanDerWaalsContact O-N 3.15Å; W305-A348 HydrophobicContact CZ3-CB 4.29Å; W305-Y357 HydrophobicContact CH2-CD2 4.42Å; W305-A420 HydrophobicContact CZ3-CB 4.12Å
306	L	94.9	Very high	92.8	Very high	43 Å²	43	58.9 Å²	58.9	23%	0.225	29%	0.291	C	S	.	.			trans	-71.9	158.9	-176.7	-62.2	174.4	0	0	0	112.4	N303 R308 Q309	N303-L306 WeakPolarHBondContact O-CD1 3.26Å; N303-L306 WeakPolarHBondContact O-CG 3.34Å; L306-R308 VanDerWaalsContact C-N 3.27Å; L306-R308 HydrophobicContact CB-CG 4.15Å; L306-R308 PolarHBondContact O-N 3.23Å; L306-Q309 WeakPolarHBondContact O-CB 3.37Å; L306-Q309 PolarHBondContact O-N 2.97Å
307	P	95.7	Very high	92.7	Very high	23 Å²	23	57.8 Å²	57.8	15%	0.149	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-53.9	-39.2	178.4	-27.9	36.8	0	0	0	113.9	I294 A296 Q309 A310 I330	I294-P307 HydrophobicContact CG2-CB 3.95Å; I294-P307 WeakPolarHBondContact CG2-O 3.25Å; I294-P307 WeakPolarHBondContact O-CB 3.36Å; A296-P307 HydrophobicContact CB-CB 4.35Å; A296-P307 HydrophobicContact CB-CG 3.76Å; P307-Q309 PolarHBondContact O-N 3.41Å; P307-Q309 VanDerWaalsContact O-N 3.16Å; P307-A310 WeakPolarHBondContact O-CB 3.37Å; P307-A310 PolarHBondContact O-N 3.49Å; P307-I330 HydrophobicContact CB-CD1 4.17Å
308	R	94.2	Very high	92.8	Very high	121 Å²	121	56 Å²	56	46%	0.457	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.3	-24	176.2	68.5	-178	72.1	-140.3	3	114.9	D291 L306 A310 R311	D291-R308 HydrophobicContact CB-CB 4.09Å; D291-R308 VanDerWaalsContact CG-CB 3.48Å; D291-R308 WeakPolarHBondContact OD2-CD 3.18Å; D291-R308 IonicContact OD2-CZ 2.7Å; D291-R308 IonicContact OD2-NE 3.5Å; D291-R308 IonicContact OD2-NH1 2.7Å; D291-R308 PolarHBondContact OD2-NH1 3.48Å; L306-R308 VanDerWaalsContact C-N 3.27Å; L306-R308 HydrophobicContact CB-CG 4.15Å; L306-R308 PolarHBondContact O-N 3.23Å; R308-A310 PolarHBondContact O-N 2.85Å; R308-R311 WeakPolarHBondContact O-CG 3.48Å
309	Q	95.9	Very high	93	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.075	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-79.2	-2.3	175.7	-71.6	163.4	-64.9	0	0	112.6	R304 W305 L306 P307 R311 N314 D316 A318	R304-Q309 PolarHBondContact O-NE2 2.76Å; R304-Q309 PolarHBondContact O-OE1 2.7Å; W305-Q309 VanDerWaalsContact CA-OE1 3.29Å; W305-Q309 VanDerWaalsContact N-OE1 3.15Å; L306-Q309 WeakPolarHBondContact O-CB 3.37Å; L306-Q309 PolarHBondContact O-N 2.97Å; P307-Q309 PolarHBondContact O-N 3.41Å; P307-Q309 VanDerWaalsContact O-N 3.16Å; Q309-R311 PolarHBondContact O-N 2.91Å; Q309-N314 WeakPolarHBondContact CA-ND2 3.48Å; Q309-N314 WeakPolarHBondContact CB-ND2 3.47Å; Q309-N314 PolarHBondContact O-ND2 2.73Å; Q309-D316 WeakPolarHBondContact CG-O 3.13Å; Q309-D316 PolarHBondContact NE2-O 2.93Å; Q309-D316 PolarHBondContact NE2-OD2 3.03Å; Q309-A318 WeakPolarHBondContact O-CA 3.49Å
310	A	97.3	Very high	93.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-79.8	6.9	177.2	0	0	0	0	0	115.1	P307 R308 W319 I330 L421 R422 F423	P307-A310 WeakPolarHBondContact O-CB 3.37Å; P307-A310 PolarHBondContact O-N 3.49Å; R308-A310 PolarHBondContact O-N 2.85Å; A310-W319 HydrophobicContact CB-CB 3.73Å; A310-I330 HydrophobicContact CB-CD1 3.32Å; A310-L421 WeakPolarHBondContact CA-O 3.44Å; A310-R422 CarbonylContact O-C 3.59Å; A310-R422 VanDerWaalsContact O-CA 3.25Å; A310-R422 WeakPolarHBondContact O-CA 3.44Å; A310-F423 HydrophobicContact CB-CD1 4Å; A310-F423 HydrophobicContact CB-CE1 3.71Å; A310-F423 WeakPolarHBondContact O-CD1 3.43Å; A310-F423 PolarHBondContact O-N 3.35Å
311	R	98.1	Very high	93.7	Very high	38 Å²	38	50 Å²	50	14%	0.143	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-65.3	137.7	175.6	-62.3	175.3	178.8	-76.1	-0.9	110.3	M284 I289 S290 D291 I294 R308 Q309 N314 R422	M284-R311 HydrophobicContact CE-CG 4.5Å; M284-R311 WeakPolarHBondContact O-CB 3.29Å; M284-R311 VanDerWaalsContact O-CD 3.3Å; M284-R311 WeakPolarHBondContact O-CD 3.43Å; M284-R311 WeakPolarHBondContact O-CG 3.2Å; M284-R311 PolarHBondContact O-NH1 2.76Å; I289-R311 VanDerWaalsContact O-CZ 3.26Å; I289-R311 PolarHBondContact O-NH1 3.15Å; I289-R311 PolarHBondContact O-NH2 2.6Å; S290-R311 PolarHBondContact O-NH2 3.26Å; D291-R311 IonicContact OD1-CZ 2.85Å; D291-R311 IonicContact OD1-NE 3.49Å; D291-R311 PolarHBondContact OD1-NE 2.88Å; D291-R311 IonicContact OD1-NH2 2.71Å; D291-R311 PolarHBondContact OD1-NH2 3.07Å; I294-R311 HydrophobicContact CD1-CG 4.44Å; R308-R311 WeakPolarHBondContact O-CG 3.48Å; Q309-R311 PolarHBondContact O-N 2.91Å; R311-N314 HydrophobicContact CB-CB 4.3Å; R311-N314 WeakPolarHBondContact O-CB 3.44Å; R311-N314 PolarHBondContact O-N 2.97Å; R311-R422 WeakPolarHBondContact O-CB 3.34Å; R311-R422 WeakPolarHBondContact O-CG 3.39Å
312	L	97.4	Very high	94.1	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.058	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	143.6	175.2	-160.5	76.7	0	0	0	110.3	E285 N314 A344 Q346 V394 F423 E424	E285-L312 HydrophobicContact CB-CB 4.32Å; L312-N314 PolarHBondContact O-N 3.42Å; L312-A344 HydrophobicContact CD1-CB 4.42Å; L312-A344 HydrophobicContact CD2-CB 4.34Å; L312-Q346 HydrophobicContact CD1-CB 4.26Å; L312-Q346 HydrophobicContact CD1-CG 3.96Å; L312-Q346 VanDerWaalsContact CD1-OE1 3.3Å; L312-V394 HydrophobicContact CD1-CG1 4.3Å; L312-V394 HydrophobicContact CD1-CG2 4.47Å; L312-V394 HydrophobicContact CD2-CG1 4.27Å; L312-V394 HydrophobicContact CD2-CG2 4.48Å; L312-F423 PolarHBondContact N-O 3Å; L312-E424 HydrophobicContact CB-CB 3.9Å; L312-E424 HydrophobicContact CD2-CB 3.91Å; L312-E424 HydrophobicContact CG-CB 4.39Å
313	N	96.5	Very high	94.6	Very high	78 Å²	78	48 Å²	48	42%	0.417	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	5	-178	-61.8	-39.7	0	0	0	116.7	E285 D315 Q346	E285-N313 WeakPolarHBondContact OE1-CB 3.3Å; E285-N313 PolarHBondContact OE1-ND2 2.87Å; N313-D315 PolarHBondContact O-N 3.12Å; N313-Q346 PolarHBondContact OD1-NE2 3.25Å; N313-Q346 PolarHBondContact OD1-OE1 2.87Å
314	N	94.5	Very high	95.1	Very high	34 Å²	34	46.4 Å²	46.4	18%	0.182	23%	0.228	C	C	.	.			trans	-49.7	131.8	170	170.9	36.7	0	0	0	110.7	Q309 R311 L312 D316 R422	Q309-N314 WeakPolarHBondContact CA-ND2 3.48Å; Q309-N314 WeakPolarHBondContact CB-ND2 3.47Å; Q309-N314 PolarHBondContact O-ND2 2.73Å; R311-N314 HydrophobicContact CB-CB 4.3Å; R311-N314 WeakPolarHBondContact O-CB 3.44Å; R311-N314 PolarHBondContact O-N 2.97Å; L312-N314 PolarHBondContact O-N 3.42Å; N314-D316 PolarHBondContact ND2-O 3.4Å; N314-D316 PolarHBondContact OD1-N 3.1Å; N314-R422 WeakPolarHBondContact O-CD 3.36Å; N314-R422 PolarHBondContact O-NH1 3.19Å
315	D	92.1	Very high	95.4	Very high	123 Å²	123	42.3 Å²	42.3	66%	0.658	22%	0.216	S	C	*	.	S	Bend	trans	-78.7	-22.8	-179	80.8	-74.1	0	0	0	112.4	N313 N317 K351	N313-D315 PolarHBondContact O-N 3.12Å; D315-N317 PolarHBondContact O-N 3.43Å; D315-K351 WeakPolarHBondContact O-CE 3.35Å; D315-K351 PolarHBondContact O-NZ 2.89Å; D315-K351 IonicContact OD2-NZ 2.63Å; D315-K351 PolarHBondContact OD2-NZ 2.9Å
316	D	90.2	Very high	95.5	Very high	59 Å²	59	45.7 Å²	45.7	32%	0.316	24%	0.236	S	C	.	.	S	Bend	trans	-99.2	88.6	-170.6	-159.3	59.7	0	0	0	113	Q309 N314 A318 K351	Q309-D316 WeakPolarHBondContact CG-O 3.13Å; Q309-D316 PolarHBondContact NE2-O 2.93Å; Q309-D316 PolarHBondContact NE2-OD2 3.03Å; N314-D316 PolarHBondContact ND2-O 3.4Å; N314-D316 PolarHBondContact OD1-N 3.1Å; D316-A318 PolarHBondContact O-N 3.27Å; D316-K351 WeakPolarHBondContact OD1-CD 3.28Å; D316-K351 WeakPolarHBondContact OD1-CE 3.4Å; D316-K351 IonicContact OD1-NZ 3.71Å; D316-K351 PolarHBondContact OD1-NZ 3.37Å
317	N	94.2	Very high	95.6	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.256	C	S	.	.			trans	53.6	-129.8	178.8	-67.7	-20.1	0	0	0	112.4	R304 W305 D315 A348 K351 E352 R422	R304-N317 WeakPolarHBondContact O-CB 3.33Å; R304-N317 PolarHBondContact O-ND2 3.31Å; R304-N317 VanDerWaalsContact O-ND2 3.12Å; W305-N317 HydrophobicContact CD2-CB 3.94Å; W305-N317 HydrophobicContact CE3-CB 3.84Å; W305-N317 HydrophobicContact CH2-CB 3.82Å; W305-N317 HydrophobicContact CZ2-CB 3.91Å; W305-N317 HydrophobicContact CZ3-CB 3.79Å; D315-N317 PolarHBondContact O-N 3.43Å; N317-A348 VanDerWaalsContact O-CB 3.31Å; N317-A348 WeakPolarHBondContact O-CB 3.44Å; N317-K351 PolarHBondContact OD1-N 3.03Å; N317-E352 PolarHBondContact ND2-OE1 3.24Å; N317-R422 WeakPolarHBondContact O-CD 3.44Å
318	A	95.9	Very high	95.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.			trans	-165	178.6	-179.2	0	0	0	0	0	109.5	W305 Q309 D316 A348 A420 R422	W305-A318 CarbonylContact C-O 3.54Å; W305-A318 WeakPolarHBondContact CA-O 3.44Å; W305-A318 WeakPolarHBondContact CB-O 3.33Å; W305-A318 HydrophobicContact CE3-CB 4.18Å; W305-A318 HydrophobicContact CZ3-CB 4.15Å; Q309-A318 WeakPolarHBondContact O-CA 3.49Å; D316-A318 PolarHBondContact O-N 3.27Å; A318-A348 HydrophobicContact CB-CB 3.59Å; A318-A420 HydrophobicContact CB-CB 4.08Å; A318-R422 HydrophobicContact CB-CG 3.96Å
319	W	97.6	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-73.7	136.6	158.5	168	72.7	0	0	0	111.2	A296 T298 A310 P321 E328 Y329 I330 P412 I419 A420 L421	A296-W319 HydrophobicContact CB-CZ2 4.01Å; T298-W319 PolarHBondContact O-NE1 3.42Å; A310-W319 HydrophobicContact CB-CB 3.73Å; W319-P321 HydrophobicContact CH2-CB 4.42Å; W319-P321 HydrophobicContact CH2-CG 4.32Å; W319-P321 HydrophobicContact CZ2-CB 3.84Å; W319-P321 HydrophobicContact CZ2-CG 4.17Å; W319-E328 HydrophobicContact CH2-CB 4.24Å; W319-Y329 VanDerWaalsContact CH2-C 3.47Å; W319-Y329 WeakPolarHBondContact CZ2-O 3.5Å; W319-I330 HydrophobicContact CB-CD1 3.65Å; W319-I330 HydrophobicContact CD2-CB 3.96Å; W319-I330 HydrophobicContact CD2-CD1 3.81Å; W319-I330 HydrophobicContact CD2-CG1 4.45Å; W319-I330 HydrophobicContact CE3-CB 3.75Å; W319-I330 HydrophobicContact CE3-CD1 4.12Å; W319-I330 HydrophobicContact CE3-CG2 3.96Å; W319-I330 HydrophobicContact CG-CD1 3.61Å; W319-I330 HydrophobicContact CH2-CB 4.17Å; W319-I330 HydrophobicContact CZ2-CB 4.36Å; W319-I330 HydrophobicContact CZ3-CB 3.86Å; W319-I330 HydrophobicContact CZ3-CG2 3.95Å; W319-P412 HydrophobicContact CZ3-CG 4.24Å; W319-I419 HydrophobicContact CH2-CG2 4.48Å; W319-I419 HydrophobicContact CZ3-CG2 4.03Å; W319-A420 WeakPolarHBondContact O-CA 2.86Å; W319-L421 HydrophobicContact CE3-CB 4.2Å; W319-L421 PolarHBondContact N-O 3.43Å; W319-L421 PolarHBondContact O-N 2.95Å; W319-L421 VanDerWaalsContact O-N 3.1Å
320	T	97.4	Very high	95.9	Very high	17 Å²	17	46.7 Å²	46.7	10%	0.104	24%	0.238	C	C	.	.			trans	-137.2	131.3	168.4	-69.8	0	0	0	0	108.4	S299 F300 W305 I419	S299-T320 CarbonylContact C-O 3.54Å; S299-T320 WeakPolarHBondContact CA-O 3.44Å; F300-T320 HydrophobicContact CB-CG2 4.32Å; F300-T320 HydrophobicContact CD2-CG2 4.21Å; F300-T320 PolarHBondContact N-O 2.89Å; W305-T320 PolarHBondContact O-N 3.37Å; W305-T320 VanDerWaalsContact O-N 3.15Å; T320-I419 VanDerWaalsContact CB-O 3.29Å; T320-I419 WeakPolarHBondContact CB-O 3.43Å; T320-I419 VanDerWaalsContact CG2-O 3.24Å; T320-I419 WeakPolarHBondContact CG2-O 3.36Å; T320-I419 PolarHBondContact OG1-O 2.72Å
321	P	96.8	Very high	95.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.242	C	C	.	.			trans	-67.1	174.5	175	27.6	-34.9	0	0	0	112.8	T298 W319 E323 E328 I419	T298-P321 WeakPolarHBondContact OG1-CA 3.41Å; T298-P321 WeakPolarHBondContact OG1-CB 3.45Å; W319-P321 HydrophobicContact CH2-CB 4.42Å; W319-P321 HydrophobicContact CH2-CG 4.32Å; W319-P321 HydrophobicContact CZ2-CB 3.84Å; W319-P321 HydrophobicContact CZ2-CG 4.17Å; P321-E323 VanDerWaalsContact C-N 3.34Å; P321-E323 WeakPolarHBondContact CG-O 3.41Å; P321-E328 HydrophobicContact CB-CB 4.01Å; P321-E328 HydrophobicContact CB-CG 3.66Å; P321-E328 HydrophobicContact CG-CB 4.11Å; P321-E328 HydrophobicContact CG-CG 3.9Å; P321-I419 HydrophobicContact CG-CB 4.03Å; P321-I419 HydrophobicContact CG-CD1 3.97Å; P321-I419 HydrophobicContact CG-CG2 4Å
322	S	94.6	Very high	95.9	Very high	60 Å²	60	45.8 Å²	45.8	42%	0.42	24%	0.236	S	C	.	.	S	Bend	trans	-72.2	-27.9	173.2	63.3	0	0	0	0	113.1	T298	T298-S322 VanDerWaalsContact CB-OG 3.31Å; T298-S322 WeakPolarHBondContact CB-OG 3.43Å; T298-S322 WeakPolarHBondContact CG2-OG 3.41Å; T298-S322 PolarHBondContact OG1-N 3.48Å; T298-S322 PolarHBondContact OG1-OG 2.98Å
323	E	94.4	Very high	95.8	Very high	137 Å²	137	46.3 Å²	46.3	64%	0.64	24%	0.239	S	C	*	.	S	Bend	trans	-132.6	140	176.7	-65.2	-168.8	173.2	0	0	111.7	P321 S325 E328	P321-E323 VanDerWaalsContact C-N 3.34Å; P321-E323 WeakPolarHBondContact CG-O 3.41Å; E323-S325 VanDerWaalsContact C-N 3.33Å; E323-S325 PolarHBondContact O-N 2.89Å; E323-E328 WeakPolarHBondContact O-CG 3.36Å
324	D	95.5	Very high	95.7	Very high	82 Å²	82	42.7 Å²	42.7	44%	0.439	22%	0.219	S	C	.	.			trans	-72.7	83.2	173.5	-85.5	-24.5	0	0	0	111.1	W415 G418 I419	D324-W415 HydrophobicContact CB-CZ2 3.94Å; D324-W415 VanDerWaalsContact O-CZ2 3.3Å; D324-W415 WeakPolarHBondContact O-CZ2 3.24Å; D324-G418 WeakPolarHBondContact OD2-CA 3.39Å; D324-I419 WeakPolarHBondContact OD1-CB 3.5Å; D324-I419 WeakPolarHBondContact OD1-CG1 3.17Å; D324-I419 PolarHBondContact OD1-N 3.1Å
325	S	96.8	Very high	95.4	Very high	24 Å²	24	42.1 Å²	42.1	17%	0.168	22%	0.215	C	C	.	.			trans	-131	142.6	-173	158.7	0	0	0	0	112.3	E323 K327 E328	E323-S325 VanDerWaalsContact C-N 3.33Å; E323-S325 PolarHBondContact O-N 2.89Å; S325-K327 PolarHBondContact O-N 3.08Å; S325-K327 WeakPolarHBondContact OG-CB 3.47Å; S325-K327 PolarHBondContact OG-N 2.94Å; S325-K327 VanDerWaalsContact OG-N 3.15Å; S325-E328 WeakPolarHBondContact O-CB 3.38Å; S325-E328 WeakPolarHBondContact O-CG 3.47Å; S325-E328 PolarHBondContact O-N 3.45Å; S325-E328 VanDerWaalsContact O-N 3.15Å
326	N	96	Very high	95.4	Very high	90 Å²	90	37.4 Å²	37.4	48%	0.481	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	3.7	176.5	74.4	-5.3	0	0	0	113.7	P412 Q413 W415	N326-P412 WeakPolarHBondContact CA-O 3.42Å; N326-Q413 PolarHBondContact O-NE2 2.67Å; N326-Q413 VanDerWaalsContact O-NE2 3.16Å; N326-W415 HydrophobicContact CB-CH2 4.32Å; N326-W415 HydrophobicContact CB-CZ3 4.28Å
327	K	95.6	Very high	95.4	Very high	148 Å²	148	35.2 Å²	35.2	64%	0.643	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-19.9	168.1	-57.1	175.9	-177.3	172	0	112	S325 R411	S325-K327 PolarHBondContact O-N 3.08Å; S325-K327 WeakPolarHBondContact OG-CB 3.47Å; S325-K327 PolarHBondContact OG-N 2.94Å; S325-K327 VanDerWaalsContact OG-N 3.15Å; K327-R411 PolarHBondContact O-NH2 3.08Å
328	E	97.6	Very high	95.4	Very high	22 Å²	22	36.6 Å²	36.6	10%	0.103	18%	0.183	C	C	.	.			trans	-67.3	157	-176.6	-56.5	-47.3	106.6	0	0	111.8	S297 T298 W319 P321 E323 S325	S297-E328 WeakPolarHBondContact CB-OE2 3.48Å; S297-E328 WeakPolarHBondContact OG-CA 3.32Å; S297-E328 WeakPolarHBondContact OG-CB 3.49Å; S297-E328 PolarHBondContact OG-OE2 3.17Å; T298-E328 WeakPolarHBondContact CG2-OE2 3.38Å; T298-E328 PolarHBondContact OG1-OE2 2.79Å; W319-E328 HydrophobicContact CH2-CB 4.24Å; P321-E328 HydrophobicContact CB-CB 4.01Å; P321-E328 HydrophobicContact CB-CG 3.66Å; P321-E328 HydrophobicContact CG-CB 4.11Å; P321-E328 HydrophobicContact CG-CG 3.9Å; E323-E328 WeakPolarHBondContact O-CG 3.36Å; S325-E328 WeakPolarHBondContact O-CB 3.38Å; S325-E328 WeakPolarHBondContact O-CG 3.47Å; S325-E328 PolarHBondContact O-N 3.45Å; S325-E328 VanDerWaalsContact O-N 3.15Å
329	Y	97.6	Very high	95.3	Very high	54 Å²	54	37.4 Å²	37.4	21%	0.212	19%	0.188	C	C	.	.			trans	-150.6	147.7	176.5	61.2	-98.9	0	0	0	111.1	A296 S297 W319 E331 R409 I410	A296-Y329 CarbonylContact C-O 3.59Å; A296-Y329 WeakPolarHBondContact CA-O 3.41Å; A296-Y329 WeakPolarHBondContact CB-O 3.36Å; S297-Y329 PolarHBondContact N-O 3.31Å; S297-Y329 PolarHBondContact OG-N 2.87Å; S297-Y329 PolarHBondContact OG-O 2.83Å; W319-Y329 VanDerWaalsContact CH2-C 3.47Å; W319-Y329 WeakPolarHBondContact CZ2-O 3.5Å; Y329-E331 HydrophobicContact CD2-CB 4.09Å; Y329-E331 HydrophobicContact CE2-CB 4.27Å; Y329-E331 VanDerWaalsContact CE2-OE2 3.3Å; Y329-E331 WeakPolarHBondContact CE2-OE2 3.3Å; Y329-R409 HydrophobicContact CD2-CG 3.81Å; Y329-R409 HydrophobicContact CE2-CG 4.44Å; Y329-R409 HydrophobicContact CG-CG 4.16Å; Y329-I410 WeakPolarHBondContact CA-O 3.29Å
330	I	98	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.6	156.5	-173.4	148.8	0	0	0	108.4	I294 T295 A296 P307 A310 W319 R409 I410 L421 F423	I294-I330 HydrophobicContact CG2-CD1 4.09Å; I294-I330 HydrophobicContact CG2-CG1 4.28Å; T295-I330 WeakPolarHBondContact O-CG1 3.34Å; A296-I330 HydrophobicContact CB-CG1 4.49Å; P307-I330 HydrophobicContact CB-CD1 4.17Å; A310-I330 HydrophobicContact CB-CD1 3.32Å; W319-I330 HydrophobicContact CB-CD1 3.65Å; W319-I330 HydrophobicContact CD2-CB 3.96Å; W319-I330 HydrophobicContact CD2-CD1 3.81Å; W319-I330 HydrophobicContact CD2-CG1 4.45Å; W319-I330 HydrophobicContact CE3-CB 3.75Å; W319-I330 HydrophobicContact CE3-CD1 4.12Å; W319-I330 HydrophobicContact CE3-CG2 3.96Å; W319-I330 HydrophobicContact CG-CD1 3.61Å; W319-I330 HydrophobicContact CH2-CB 4.17Å; W319-I330 HydrophobicContact CZ2-CB 4.36Å; W319-I330 HydrophobicContact CZ3-CB 3.86Å; W319-I330 HydrophobicContact CZ3-CG2 3.95Å; I330-R409 CarbonylContact O-C 3.57Å; I330-R409 WeakPolarHBondContact O-CA 3.2Å; I330-I410 HydrophobicContact CG2-CB 4.09Å; I330-I410 PolarHBondContact N-O 2.97Å; I330-I410 PolarHBondContact O-N 3.23Å; I330-L421 HydrophobicContact CG2-CD2 3.81Å; I330-F423 HydrophobicContact CB-CE1 4.45Å; I330-F423 HydrophobicContact CD1-CE1 3.91Å; I330-F423 HydrophobicContact CG1-CE1 3.94Å; I330-F423 HydrophobicContact CG1-CZ 4.24Å; I330-F423 HydrophobicContact CG2-CD1 4.35Å; I330-F423 HydrophobicContact CG2-CE1 3.65Å; I330-F423 HydrophobicContact CG2-CZ 4.15Å
331	E	97.3	Very high	95.2	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144	-169.3	179.3	167.8	174.6	0	0	110.6	I294 T295 Y329 W373 V408 R409	I294-E331 WeakPolarHBondContact CA-O 3.36Å; T295-E331 PolarHBondContact N-O 3.43Å; T295-E331 PolarHBondContact O-N 2.81Å; T295-E331 VanDerWaalsContact O-O 3.13Å; Y329-E331 HydrophobicContact CD2-CB 4.09Å; Y329-E331 HydrophobicContact CE2-CB 4.27Å; Y329-E331 VanDerWaalsContact CE2-OE2 3.3Å; Y329-E331 WeakPolarHBondContact CE2-OE2 3.3Å; E331-W373 HydrophobicContact CG-CH2 4.21Å; E331-W373 WeakPolarHBondContact OE1-CH2 3.46Å; E331-W373 VanDerWaalsContact OE1-CZ2 3.3Å; E331-W373 WeakPolarHBondContact OE1-CZ2 3.38Å; E331-V408 CarbonylContact C-O 3.54Å; E331-V408 WeakPolarHBondContact CA-O 3.45Å; E331-R409 HydrophobicContact CB-CG 3.85Å; E331-R409 HydrophobicContact CG-CG 3.98Å; E331-R409 IonicContact OE1-NH2 3.36Å; E331-R409 IonicContact OE2-CZ 2.79Å; E331-R409 IonicContact OE2-NE 3.78Å; E331-R409 PolarHBondContact OE2-NE 2.84Å; E331-R409 IonicContact OE2-NH2 3.49Å; E331-R409 PolarHBondContact OE2-NH2 2.66Å
332	V	97.6	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.8	173.4	-177.5	0	0	0	0	109.6	M284 I289 Q293 L334 F407 V408 F423 L425	M284-V332 HydrophobicContact CE-CG2 4.37Å; M284-V332 HydrophobicContact SD-CG1 4.47Å; M284-V332 HydrophobicContact SD-CG2 3.9Å; I289-V332 HydrophobicContact CD1-CG1 4.12Å; I289-V332 HydrophobicContact CG2-CG1 3.81Å; Q293-V332 CarbonylContact O-C 3.6Å; Q293-V332 VanDerWaalsContact O-CA 3.26Å; Q293-V332 WeakPolarHBondContact O-CA 3.21Å; V332-L334 HydrophobicContact CG1-CD2 3.96Å; V332-L334 HydrophobicContact CG1-CG 4.49Å; V332-F407 CarbonylContact O-C 3.56Å; V332-F407 WeakPolarHBondContact O-CA 3.28Å; V332-V408 PolarHBondContact N-O 2.96Å; V332-V408 PolarHBondContact O-N 3.39Å; V332-F423 HydrophobicContact CG2-CE2 3.71Å; V332-F423 HydrophobicContact CG2-CZ 3.55Å; V332-L425 HydrophobicContact CB-CD1 4.13Å; V332-L425 HydrophobicContact CG1-CD1 4.27Å; V332-L425 HydrophobicContact CG2-CD1 4.24Å
333	D	95.3	Very high	95.3	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.123	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117	163.6	-174.7	0.7	0	0	0	109.8	Q293 H335 R406 F407	Q293-D333 WeakPolarHBondContact CB-O 2.95Å; Q293-D333 PolarHBondContact NE2-O 3.28Å; Q293-D333 PolarHBondContact O-N 2.9Å; D333-H335 PolarHBondContact O-N 2.96Å; D333-H335 WeakPolarHBondContact OD1-CA 3.38Å; D333-H335 PolarHBondContact OD1-N 3.47Å; D333-H335 IonicContact OD2-CD2 3.2Å; D333-R406 WeakPolarHBondContact OD1-CG 3.39Å; D333-R406 IonicContact OD1-CZ 2.72Å; D333-R406 IonicContact OD1-NE 3.49Å; D333-R406 PolarHBondContact OD1-NE 2.94Å; D333-R406 IonicContact OD1-NH2 3.21Å; D333-R406 IonicContact OD2-CZ 3.91Å; D333-R406 IonicContact OD2-NE 3.26Å; D333-R406 PolarHBondContact OD2-NE 2.89Å; D333-R406 IonicContact OD2-NH2 2.71Å; D333-R406 PolarHBondContact OD2-NH2 3.26Å; D333-F407 HydrophobicContact CB-CD1 3.79Å; D333-F407 HydrophobicContact CB-CE1 3.62Å; D333-F407 HydrophobicContact CB-CZ 4.4Å; D333-F407 WeakPolarHBondContact OD2-CE1 3.38Å; D333-F407 WeakPolarHBondContact OD2-CZ 3.36Å
334	L	93.9	Very high	95.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	1.4	178	-61.4	171.6	0	0	0	113.6	L282 I289 V332 F336 K338 R406 V408 L425	L282-L334 HydrophobicContact CB-CD2 4.44Å; L282-L334 HydrophobicContact CD1-CD1 4.05Å; L282-L334 HydrophobicContact CD1-CD2 4.16Å; I289-L334 HydrophobicContact CD1-CD2 3.87Å; V332-L334 HydrophobicContact CG1-CD2 3.96Å; V332-L334 HydrophobicContact CG1-CG 4.49Å; L334-F336 PolarHBondContact O-N 2.91Å; L334-K338 HydrophobicContact CB-CD 3.99Å; L334-K338 HydrophobicContact CD1-CB 4.18Å; L334-K338 HydrophobicContact CD1-CD 4.29Å; L334-K338 HydrophobicContact CG-CD 4.5Å; L334-K338 VanDerWaalsContact O-CE 3.3Å; L334-K338 WeakPolarHBondContact O-CE 3.03Å; L334-K338 PolarHBondContact O-NZ 3.35Å; L334-R406 WeakPolarHBondContact CB-O 3.41Å; L334-R406 VanDerWaalsContact CG-O 3.26Å; L334-R406 WeakPolarHBondContact CG-O 3.44Å; L334-R406 PolarHBondContact N-O 2.71Å; L334-V408 HydrophobicContact CD1-CG2 3.91Å; L334-L425 HydrophobicContact CD2-CD1 4.19Å
335	H	89.9	Confident	95.7	Very high	22 Å²	22	24.5 Å²	24.5	10%	0.102	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.5	-40.3	-169.2	-69.2	159.9	0	0	0	114.9	I227 Q293 D333 R406	I227-H335 HydrophobicContact CG2-CB 3.96Å; Q293-H335 VanDerWaalsContact CD-CE1 3.42Å; Q293-H335 WeakPolarHBondContact CG-NE2 3.41Å; D333-H335 PolarHBondContact O-N 2.96Å; D333-H335 WeakPolarHBondContact OD1-CA 3.38Å; D333-H335 PolarHBondContact OD1-N 3.47Å; D333-H335 IonicContact OD2-CD2 3.2Å; H335-R406 WeakPolarHBondContact O-CD 3.41Å; H335-R406 PolarHBondContact O-NE 2.93Å; H335-R406 PolarHBondContact O-NH1 2.86Å
336	F	90.3	Very high	95.7	Very high	23 Å²	23	23.8 Å²	23.8	10%	0.101	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	156.9	-177.1	-59.5	-86.2	0	0	0	111	D218 I227 I239 Q240 L334 K338	D218-F336 HydrophobicContact CB-CD1 4.41Å; D218-F336 HydrophobicContact CB-CE1 4.14Å; D218-F336 WeakPolarHBondContact OD1-CE1 3.41Å; D218-F336 WeakPolarHBondContact OD2-CD1 3.49Å; I227-F336 HydrophobicContact CD1-CE1 3.7Å; I227-F336 HydrophobicContact CD1-CZ 3.67Å; I227-F336 HydrophobicContact CG1-CE1 4.3Å; I227-F336 HydrophobicContact CG1-CZ 4.43Å; I239-F336 HydrophobicContact CG2-CE2 4.18Å; I239-F336 HydrophobicContact CG2-CZ 3.68Å; Q240-F336 VanDerWaalsContact O-CE2 3.23Å; Q240-F336 WeakPolarHBondContact O-CE2 3.36Å; Q240-F336 WeakPolarHBondContact O-CZ 3.36Å; L334-F336 PolarHBondContact O-N 2.91Å; F336-K338 PolarHBondContact O-N 2.81Å
337	L	91.4	Very high	95.8	Very high	13 Å²	13	19.5 Å²	19.5	7%	0.068	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	111.4	174.1	-167.7	70.4	0	0	0	109.9	T368 L404 I430 M442 L468 V469 P561	L337-T368 HydrophobicContact CD1-CG2 4.02Å; L337-L404 HydrophobicContact CD1-CB 4.21Å; L337-L404 HydrophobicContact CD2-CB 4.5Å; L337-L404 HydrophobicContact CD2-CD1 4.44Å; L337-L404 HydrophobicContact CG-CB 4.32Å; L337-L404 HydrophobicContact CG-CD2 4.4Å; L337-I430 HydrophobicContact CB-CD1 4.27Å; L337-I430 HydrophobicContact CD2-CD1 3.92Å; L337-I430 HydrophobicContact CG-CD1 4.11Å; L337-M442 HydrophobicContact CB-CE 4.15Å; L337-L468 HydrophobicContact CD2-CD2 4.16Å; L337-V469 HydrophobicContact CD2-CG2 4.22Å; L337-P561 HydrophobicContact CD1-CG 4.19Å; L337-P561 HydrophobicContact CD2-CG 4.14Å
338	K	93.4	Very high	95.8	Very high	33 Å²	33	12.5 Å²	12.5	14%	0.143	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.8	-178.4	-63.8	178.6	-165.3	165.7	0	110.9	L282 L334 F336 L404 A405	L282-K338 HydrophobicContact CD1-CD 4.46Å; L282-K338 HydrophobicContact CD2-CD 4.28Å; L334-K338 HydrophobicContact CB-CD 3.99Å; L334-K338 HydrophobicContact CD1-CB 4.18Å; L334-K338 HydrophobicContact CD1-CD 4.29Å; L334-K338 HydrophobicContact CG-CD 4.5Å; L334-K338 VanDerWaalsContact O-CE 3.3Å; L334-K338 WeakPolarHBondContact O-CE 3.03Å; L334-K338 PolarHBondContact O-NZ 3.35Å; F336-K338 PolarHBondContact O-N 2.81Å; K338-L404 WeakPolarHBondContact O-CA 3.46Å; K338-A405 PolarHBondContact N-O 3.17Å; K338-A405 PolarHBondContact O-N 2.99Å
339	V	94.9	Very high	95.8	Very high	16 Å²	16	15.2 Å²	15.2	10%	0.097	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.3	173	-177.1	0	0	0	0	108.1	T341 P402 L404 G427 C428 I430	V339-T341 HydrophobicContact CG1-CG2 4Å; V339-P402 HydrophobicContact CG1-CB 3.9Å; V339-L404 HydrophobicContact CB-CD2 4.44Å; V339-L404 HydrophobicContact CG2-CD2 3.63Å; V339-G427 CarbonylContact O-C 3.54Å; V339-G427 WeakPolarHBondContact O-CA 3.32Å; V339-C428 PolarHBondContact N-O 3.34Å; V339-C428 PolarHBondContact O-N 3.44Å; V339-I430 HydrophobicContact CG2-CG1 4.17Å
340	L	96.4	Very high	95.7	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.7	176.6	-169.9	73.3	0	0	0	110	L282 I343 L364 I399 P402 V403 V408 L425	L282-L340 HydrophobicContact CD1-CD1 4.08Å; L340-I343 HydrophobicContact CD2-CD1 4.47Å; L340-L364 HydrophobicContact CD2-CD1 4.28Å; L340-L364 HydrophobicContact CD2-CD2 4.16Å; L340-I399 HydrophobicContact CB-CD1 4.3Å; L340-I399 HydrophobicContact CD2-CD1 3.61Å; L340-I399 HydrophobicContact CG-CD1 3.62Å; L340-P402 WeakPolarHBondContact O-CA 3.36Å; L340-V403 HydrophobicContact CB-CG1 4.06Å; L340-V403 HydrophobicContact CD2-CG1 4.32Å; L340-V403 PolarHBondContact N-O 3.26Å; L340-V403 PolarHBondContact O-N 2.72Å; L340-V403 VanDerWaalsContact O-N 3.13Å; L340-V408 HydrophobicContact CD2-CG1 4.14Å; L340-V408 HydrophobicContact CD2-CG2 4.19Å; L340-L425 HydrophobicContact CD1-CB 3.89Å; L340-L425 HydrophobicContact CD1-CD2 4.25Å; L340-L425 HydrophobicContact CD1-CG 4.49Å
341	T	96	Very high	95.5	Very high	23 Å²	23	17 Å²	17	14%	0.141	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-16.3	-175.6	64.1	0	0	0	0	114.2	C278 V339 I399 P402 H426	C278-T341 HydrophobicContact CB-CG2 4.27Å; C278-T341 WeakPolarHBondContact O-CB 3.04Å; C278-T341 WeakPolarHBondContact O-CG2 3.4Å; C278-T341 PolarHBondContact O-OG1 3.3Å; V339-T341 HydrophobicContact CG1-CG2 4Å; T341-I399 PolarHBondContact O-N 2.87Å; T341-P402 HydrophobicContact CG2-CB 4.05Å; T341-P402 HydrophobicContact CG2-CG 4.04Å; T341-H426 PolarHBondContact N-O 2.97Å; T341-H426 PolarHBondContact OG1-O 3.38Å
342	G	96.4	Very high	95.3	Very high	2 Å²	2	19.7 Å²	19.7	2%	0.021	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	162.9	176.1	0	0	0	0	0	113.6	N397 H426	G342-N397 CarbonylContact C-O 3.43Å; G342-N397 VanDerWaalsContact CA-O 3.23Å; G342-N397 WeakPolarHBondContact CA-O 3.34Å; G342-H426 PolarHBondContact N-O 2.77Å; G342-H426 VanDerWaalsContact N-O 3.11Å; G342-H426 PolarHBondContact O-N 3.17Å
343	I	98	Very high	95.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.6	174.2	-57.2	175.7	0	0	0	107.1	L340 T345 F362 L364 N397 I410 L425	L340-I343 HydrophobicContact CD2-CD1 4.47Å; I343-T345 HydrophobicContact CG2-CG2 3.99Å; I343-F362 HydrophobicContact CB-CZ 4.32Å; I343-F362 HydrophobicContact CD1-CE2 4.1Å; I343-F362 HydrophobicContact CG2-CZ 4.09Å; I343-L364 HydrophobicContact CD1-CD1 3.83Å; I343-L364 HydrophobicContact CD1-CD2 4.11Å; I343-L364 HydrophobicContact CD1-CG 4.38Å; I343-N397 PolarHBondContact N-O 3.15Å; I343-N397 PolarHBondContact O-N 2.83Å; I343-I410 HydrophobicContact CG2-CD1 3.77Å; I343-L425 HydrophobicContact CD1-CD2 4.5Å; I343-L425 HydrophobicContact CG1-CD2 4.01Å; I343-L425 HydrophobicContact CG2-CD2 4.28Å
344	A	98.1	Very high	95.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	172.4	0	0	0	0	0	109.1	L312 V394 V395 L396 F423 E424	L312-A344 HydrophobicContact CD1-CB 4.42Å; L312-A344 HydrophobicContact CD2-CB 4.34Å; A344-V394 HydrophobicContact CB-CG1 3.82Å; A344-V395 WeakPolarHBondContact CA-O 3.46Å; A344-L396 HydrophobicContact CB-CD1 4.18Å; A344-F423 CarbonylContact O-C 3.47Å; A344-F423 WeakPolarHBondContact O-CA 3.46Å; A344-F423 WeakPolarHBondContact O-CB 3.38Å; A344-E424 HydrophobicContact CB-CB 4.45Å; A344-E424 PolarHBondContact N-O 3Å; A344-E424 PolarHBondContact O-N 2.74Å
345	T	98.4	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.7	178.5	64.6	0	0	0	0	113	I343 F362 N388 V395 L421 R422 F423	I343-T345 HydrophobicContact CG2-CG2 3.99Å; T345-F362 HydrophobicContact CG2-CD1 4.3Å; T345-F362 HydrophobicContact CG2-CE1 3.62Å; T345-F362 HydrophobicContact CG2-CZ 4.16Å; T345-N388 WeakPolarHBondContact CB-OD1 3.28Å; T345-N388 PolarHBondContact O-ND2 2.99Å; T345-N388 PolarHBondContact O-OD1 2.82Å; T345-N388 PolarHBondContact OG1-OD1 3.1Å; T345-V395 PolarHBondContact N-O 2.97Å; T345-V395 PolarHBondContact O-N 3.31Å; T345-L421 HydrophobicContact CG2-CD1 3.91Å; T345-R422 CarbonylContact C-O 3.54Å; T345-R422 WeakPolarHBondContact CA-O 3.46Å; T345-F423 HydrophobicContact CG2-CB 4.33Å
346	Q	97.9	Very high	95.5	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.9	174.2	-88.4	175.7	-38.3	0	0	109.4	L312 N313 N388 A392 V394 L421 R422	L312-Q346 HydrophobicContact CD1-CB 4.26Å; L312-Q346 HydrophobicContact CD1-CG 3.96Å; L312-Q346 VanDerWaalsContact CD1-OE1 3.3Å; N313-Q346 PolarHBondContact OD1-NE2 3.25Å; N313-Q346 PolarHBondContact OD1-OE1 2.87Å; Q346-N388 WeakPolarHBondContact CA-ND2 3.23Å; Q346-N388 PolarHBondContact N-OD1 2.79Å; Q346-A392 PolarHBondContact NE2-O 3.28Å; Q346-V394 HydrophobicContact CG-CB 4.44Å; Q346-V394 HydrophobicContact CG-CG2 3.84Å; Q346-L421 WeakPolarHBondContact O-CA 3.38Å; Q346-R422 HydrophobicContact CB-CB 3.92Å; Q346-R422 PolarHBondContact N-O 3.29Å; Q346-R422 PolarHBondContact O-N 3.16Å
347	G	97.3	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.			trans	-84.9	-154.5	161.9	0	0	0	0	0	112.2	Y357 P391 R422	G347-Y357 CarbonylContact C-O 3.59Å; G347-Y357 WeakPolarHBondContact CA-O 3.23Å; G347-P391 CarbonylContact C-O 3.53Å; G347-P391 PolarHBondContact N-O 2.83Å; G347-R422 VanDerWaalsContact O-CZ 3.26Å; G347-R422 PolarHBondContact O-NE 2.98Å; G347-R422 PolarHBondContact O-NH2 2.87Å
348	A	96.9	Very high	96.1	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.9	167.4	0	0	0	0	0	113.1	W305 N317 A318 Y357 P391 A420	W305-A348 HydrophobicContact CZ3-CB 4.29Å; N317-A348 VanDerWaalsContact O-CB 3.31Å; N317-A348 WeakPolarHBondContact O-CB 3.44Å; A318-A348 HydrophobicContact CB-CB 3.59Å; A348-Y357 PolarHBondContact N-O 3.3Å; A348-Y357 PolarHBondContact O-N 2.78Å; A348-Y357 VanDerWaalsContact O-O 3.08Å; A348-P391 PolarHBondContact N-O 3.44Å; A348-P391 VanDerWaalsContact O-CB 3.27Å; A348-P391 WeakPolarHBondContact O-CB 3.49Å; A348-A420 HydrophobicContact CB-CB 4.49Å
349	I	96.6	Very high	96.4	Very high	79 Å²	79	35.5 Å²	35.5	41%	0.405	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.2	169.1	-57.4	176.2	0	0	0	106.7	K351 K355 P391	I349-K351 PolarHBondContact O-N 3.26Å; I349-K355 WeakPolarHBondContact CA-O 3.3Å; I349-P391 HydrophobicContact CD1-CG 3.93Å; I349-P391 HydrophobicContact CG1-CB 3.81Å; I349-P391 HydrophobicContact CG1-CG 3.59Å
350	S	95.2	Very high	96.5	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.028	18%	0.183	C	C	.	.			trans	-59.6	120.8	176.5	156.8	0	0	0	0	110.2	E352 T353 Q354 K355	S350-E352 PolarHBondContact O-N 2.82Å; S350-E352 PolarHBondContact OG-N 3.5Å; S350-E352 PolarHBondContact OG-OE2 2.71Å; S350-T353 WeakPolarHBondContact CB-OG1 3.38Å; S350-T353 PolarHBondContact O-N 3.21Å; S350-T353 PolarHBondContact OG-N 3.04Å; S350-T353 PolarHBondContact OG-OG1 3.18Å; S350-Q354 VanDerWaalsContact O-CA 3.3Å; S350-Q354 WeakPolarHBondContact O-CA 3.11Å; S350-Q354 PolarHBondContact O-N 3.22Å; S350-Q354 PolarHBondContact O-NE2 3.09Å; S350-K355 PolarHBondContact N-O 2.74Å
351	K	93.4	Very high	96.6	Very high	88 Å²	88	37.2 Å²	37.2	38%	0.383	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.8	175.3	-78.3	-178	174.3	173	0	111.6	D315 D316 N317 I349 Q354	D315-K351 WeakPolarHBondContact O-CE 3.35Å; D315-K351 PolarHBondContact O-NZ 2.89Å; D315-K351 IonicContact OD2-NZ 2.63Å; D315-K351 PolarHBondContact OD2-NZ 2.9Å; D316-K351 WeakPolarHBondContact OD1-CD 3.28Å; D316-K351 WeakPolarHBondContact OD1-CE 3.4Å; D316-K351 IonicContact OD1-NZ 3.71Å; D316-K351 PolarHBondContact OD1-NZ 3.37Å; N317-K351 PolarHBondContact OD1-N 3.03Å; I349-K351 PolarHBondContact O-N 3.26Å; K351-Q354 PolarHBondContact O-NE2 2.76Å
352	E	92.9	Very high	96.7	Very high	74 Å²	74	36.1 Å²	36.1	35%	0.346	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-43	-175.7	-48.8	72.7	-161.2	0	0	113.6	R304 N317 S350	R304-E352 IonicContact CZ-OE1 3.91Å; R304-E352 IonicContact NE-OE1 2.84Å; R304-E352 IonicContact NH1-OE1 3.49Å; N317-E352 PolarHBondContact ND2-OE1 3.24Å; S350-E352 PolarHBondContact O-N 2.82Å; S350-E352 PolarHBondContact OG-N 3.5Å; S350-E352 PolarHBondContact OG-OE2 2.71Å
353	T	93.6	Very high	96.8	Very high	73 Å²	73	38.1 Å²	38.1	45%	0.448	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-8.7	-167.7	66.7	0	0	0	0	114	S350 K355	S350-T353 WeakPolarHBondContact CB-OG1 3.38Å; S350-T353 PolarHBondContact O-N 3.21Å; S350-T353 PolarHBondContact OG-N 3.04Å; S350-T353 PolarHBondContact OG-OG1 3.18Å; T353-K355 PolarHBondContact O-N 3.46Å
354	Q	95.1	Very high	96.7	Very high	141 Å²	141	38.1 Å²	38.1	66%	0.659	19%	0.188	S	C	*	.			trans	55	20.2	-174.7	-58.7	-63.5	-54.8	0	0	113.8	S350 K351	S350-Q354 VanDerWaalsContact O-CA 3.3Å; S350-Q354 WeakPolarHBondContact O-CA 3.11Å; S350-Q354 PolarHBondContact O-N 3.22Å; S350-Q354 PolarHBondContact O-NE2 3.09Å; K351-Q354 PolarHBondContact O-NE2 2.76Å
355	K	95.6	Very high	96.7	Very high	117 Å²	117	38.8 Å²	38.8	51%	0.509	19%	0.191	S	C	.	.			trans	-84	136	173.5	-70.7	175.9	179.8	176.3	0	110.4	I349 S350 T353 Y357	I349-K355 WeakPolarHBondContact CA-O 3.3Å; S350-K355 PolarHBondContact N-O 2.74Å; T353-K355 PolarHBondContact O-N 3.46Å; K355-Y357 HydrophobicContact CB-CD2 4.23Å; K355-Y357 HydrophobicContact CB-CE2 3.45Å; K355-Y357 VanDerWaalsContact CB-CE2 3.45Å; K355-Y357 HydrophobicContact CD-CE2 4.48Å; K355-Y357 WeakPolarHBondContact CD-OH 3.41Å; K355-Y357 VanDerWaalsContact O-CD2 3.26Å; K355-Y357 WeakPolarHBondContact O-CD2 3.43Å; K355-Y357 WeakPolarHBondContact O-CE2 3.36Å
356	A	96.6	Very high	96.6	Very high	29 Å²	29	38.8 Å²	38.8	24%	0.24	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	135.8	170.8	0	0	0	0	0	111.3	P391 N417	A356-P391 HydrophobicContact CB-CB 3.93Å; A356-P391 HydrophobicContact CB-CG 3.64Å; A356-N417 WeakPolarHBondContact O-CB 3.5Å; A356-N417 PolarHBondContact O-ND2 3.3Å
357	Y	97.6	Very high	96.4	Very high	51 Å²	51	38.5 Å²	38.5	20%	0.2	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.6	176.5	-63.5	-88.6	0	0	0	108.9	W305 G347 A348 K355 N417 A420	W305-Y357 HydrophobicContact CH2-CD2 4.42Å; G347-Y357 CarbonylContact C-O 3.59Å; G347-Y357 WeakPolarHBondContact CA-O 3.23Å; A348-Y357 PolarHBondContact N-O 3.3Å; A348-Y357 PolarHBondContact O-N 2.78Å; A348-Y357 VanDerWaalsContact O-O 3.08Å; K355-Y357 HydrophobicContact CB-CD2 4.23Å; K355-Y357 HydrophobicContact CB-CE2 3.45Å; K355-Y357 VanDerWaalsContact CB-CE2 3.45Å; K355-Y357 HydrophobicContact CD-CE2 4.48Å; K355-Y357 WeakPolarHBondContact CD-OH 3.41Å; K355-Y357 VanDerWaalsContact O-CD2 3.26Å; K355-Y357 WeakPolarHBondContact O-CD2 3.43Å; K355-Y357 WeakPolarHBondContact O-CE2 3.36Å; Y357-N417 HydrophobicContact CD1-CB 3.84Å; Y357-N417 HydrophobicContact CE1-CB 3.99Å; Y357-A420 VanDerWaalsContact CB-CB 3.43Å
358	Y	98.1	Very high	96.2	Very high	37 Å²	37	38.6 Å²	38.6	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	143.7	-179.3	53.5	-83.7	0	0	0	113.9	T360 N388 T389 P391 W415 K416	Y358-T360 HydrophobicContact CD2-CG2 3.7Å; Y358-T360 HydrophobicContact CE2-CG2 3.66Å; Y358-N388 HydrophobicContact CD2-CB 4.21Å; Y358-N388 VanDerWaalsContact CD2-O 3.31Å; Y358-N388 WeakPolarHBondContact CD2-O 3.38Å; Y358-N388 WeakPolarHBondContact CE2-O 3.4Å; Y358-T389 VanDerWaalsContact CE2-O 3.23Å; Y358-T389 WeakPolarHBondContact CE2-O 3.3Å; Y358-T389 VanDerWaalsContact CZ-C 3.46Å; Y358-T389 PolarHBondContact OH-O 3.18Å; Y358-P391 HydrophobicContact CD1-CB 4.47Å; Y358-W415 CarbonylContact O-C 3.5Å; Y358-W415 VanDerWaalsContact O-CA 3.23Å; Y358-W415 WeakPolarHBondContact O-CA 3.5Å; Y358-W415 WeakPolarHBondContact O-CB 3.31Å; Y358-K416 HydrophobicContact CD1-CB 3.94Å; Y358-K416 HydrophobicContact CD1-CG 4.3Å; Y358-K416 HydrophobicContact CD2-CB 3.96Å; Y358-K416 HydrophobicContact CE1-CB 3.59Å; Y358-K416 HydrophobicContact CE1-CG 3.55Å; Y358-K416 HydrophobicContact CE2-CB 3.64Å; Y358-K416 HydrophobicContact CE2-CG 4.23Å; Y358-K416 HydrophobicContact CG-CB 4.12Å; Y358-K416 VanDerWaalsContact CZ-CB 3.45Å; Y358-K416 PolarHBondContact N-O 2.81Å; Y358-K416 PolarHBondContact O-N 3.09Å
359	V	98.5	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.1	168.9	179.7	0	0	0	0	109.7	S361 F362 A387 N388 P412 I419 A420 L421	V359-S361 VanDerWaalsContact CG1-O 3.26Å; V359-S361 WeakPolarHBondContact CG1-O 3.34Å; V359-F362 HydrophobicContact CG1-CB 4.35Å; V359-A387 HydrophobicContact CG1-CB 4.41Å; V359-A387 VanDerWaalsContact O-CB 3.27Å; V359-A387 WeakPolarHBondContact O-CB 3.35Å; V359-N388 PolarHBondContact O-N 3.32Å; V359-P412 HydrophobicContact CG1-CB 4.1Å; V359-P412 HydrophobicContact CG2-CB 4.01Å; V359-P412 HydrophobicContact CG2-CG 4Å; V359-I419 HydrophobicContact CG2-CG2 4.15Å; V359-A420 PolarHBondContact N-O 3.37Å; V359-L421 HydrophobicContact CB-CD1 4.49Å; V359-L421 HydrophobicContact CG2-CB 4.3Å; V359-L421 HydrophobicContact CG2-CD1 4.4Å
360	T	98.1	Very high	95.4	Very high	42 Å²	42	38.5 Å²	38.5	26%	0.258	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-21.5	179.7	57.9	0	0	0	0	112.8	Y358 A387 N388 T414 W415 K416	Y358-T360 HydrophobicContact CD2-CG2 3.7Å; Y358-T360 HydrophobicContact CE2-CG2 3.66Å; T360-A387 PolarHBondContact O-N 2.67Å; T360-N388 WeakPolarHBondContact CG2-O 3.44Å; T360-T414 PolarHBondContact N-O 3.24Å; T360-T414 VanDerWaalsContact OG1-CB 3.32Å; T360-T414 WeakPolarHBondContact OG1-CB 3.44Å; T360-T414 PolarHBondContact OG1-O 2.61Å; T360-T414 VanDerWaalsContact OG1-O 3.13Å; T360-T414 PolarHBondContact OG1-OG1 2.88Å; T360-W415 PolarHBondContact OG1-N 2.79Å; T360-K416 HydrophobicContact CG2-CB 4.36Å
361	S	98.3	Very high	95	Very high	10 Å²	10	44 Å²	44	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	151.3	165	72.4	0	0	0	0	112.6	V359 F385 Q413 T414	V359-S361 VanDerWaalsContact CG1-O 3.26Å; V359-S361 WeakPolarHBondContact CG1-O 3.34Å; S361-F385 WeakPolarHBondContact CA-O 3.3Å; S361-F385 VanDerWaalsContact CB-O 3.26Å; S361-F385 WeakPolarHBondContact CB-O 3.35Å; S361-Q413 PolarHBondContact O-N 3.2Å; S361-T414 WeakPolarHBondContact CB-OG1 3.46Å; S361-T414 PolarHBondContact N-O 2.84Å; S361-T414 VanDerWaalsContact N-O 3.13Å; S361-T414 PolarHBondContact N-OG1 2.86Å; S361-T414 PolarHBondContact O-N 3.4Å; S361-T414 PolarHBondContact OG-OG1 3.21Å
362	F	98.2	Very high	94.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	166.2	178.2	64.9	-95.8	0	0	0	112.9	I343 T345 V359 F385 A387 N397 I410 R411	I343-F362 HydrophobicContact CB-CZ 4.32Å; I343-F362 HydrophobicContact CD1-CE2 4.1Å; I343-F362 HydrophobicContact CG2-CZ 4.09Å; T345-F362 HydrophobicContact CG2-CD1 4.3Å; T345-F362 HydrophobicContact CG2-CE1 3.62Å; T345-F362 HydrophobicContact CG2-CZ 4.16Å; V359-F362 HydrophobicContact CG1-CB 4.35Å; F362-F385 HydrophobicContact CD1-CB 4.26Å; F362-F385 HydrophobicContact CD2-CB 4.02Å; F362-F385 HydrophobicContact CD2-CD2 4.03Å; F362-F385 HydrophobicContact CD2-CG 4.37Å; F362-F385 HydrophobicContact CE1-CB 3.88Å; F362-F385 HydrophobicContact CE2-CB 3.63Å; F362-F385 AromaticContact CE2-CD2 3.65Å; F362-F385 HydrophobicContact CE2-CD2 3.65Å; F362-F385 HydrophobicContact CE2-CE2 4.49Å; F362-F385 AromaticContact CE2-CG 3.77Å; F362-F385 HydrophobicContact CE2-CG 3.77Å; F362-F385 HydrophobicContact CG-CB 4.31Å; F362-F385 HydrophobicContact CZ-CB 3.56Å; F362-F385 HydrophobicContact CZ-CD2 4.35Å; F362-F385 AromaticContact CZ-CG 4Å; F362-F385 HydrophobicContact CZ-CG 4Å; F362-F385 PolarHBondContact N-O 3.46Å; F362-F385 VanDerWaalsContact N-O 3.09Å; F362-F385 PolarHBondContact O-N 2.87Å; F362-A387 HydrophobicContact CD1-CB 3.83Å; F362-A387 HydrophobicContact CE1-CB 4.01Å; F362-N397 HydrophobicContact CZ-CB 4.47Å; F362-I410 HydrophobicContact CB-CG2 3.94Å; F362-I410 HydrophobicContact CD1-CG2 4.42Å; F362-I410 HydrophobicContact CD2-CG2 3.83Å; F362-I410 HydrophobicContact CE2-CG2 4.43Å; F362-I410 HydrophobicContact CG-CG2 3.83Å; F362-R411 CarbonylContact C-O 3.56Å; F362-R411 VanDerWaalsContact CA-O 3.23Å; F362-R411 WeakPolarHBondContact CA-O 3.34Å; F362-R411 WeakPolarHBondContact CB-O 3.37Å
363	K	97.8	Very high	94.7	Very high	44 Å²	44	39.3 Å²	39.3	19%	0.191	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	150.8	162.4	-75.6	168.9	-176.6	155.3	0	109.7	V375 H382 I384 R411 Q413	K363-V375 HydrophobicContact CB-CG1 4.49Å; K363-V375 HydrophobicContact CD-CG1 4.28Å; K363-H382 HydrophobicContact CD-CB 4.49Å; K363-I384 HydrophobicContact CG-CG1 4.4Å; K363-R411 PolarHBondContact N-O 3.06Å; K363-R411 PolarHBondContact O-N 3.41Å; K363-Q413 HydrophobicContact CB-CG 4.44Å; K363-Q413 HydrophobicContact CD-CG 4.17Å; K363-Q413 HydrophobicContact CG-CG 3.95Å
364	L	97.3	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.2	170.6	171.1	60.6	0	0	0	109.1	L340 I343 V366 Y376 F385 I399 V408	L340-L364 HydrophobicContact CD2-CD1 4.28Å; L340-L364 HydrophobicContact CD2-CD2 4.16Å; I343-L364 HydrophobicContact CD1-CD1 3.83Å; I343-L364 HydrophobicContact CD1-CD2 4.11Å; I343-L364 HydrophobicContact CD1-CG 4.38Å; L364-V366 HydrophobicContact CD1-CG1 3.87Å; L364-V366 HydrophobicContact CD2-CG1 4.41Å; L364-V366 HydrophobicContact CG-CG1 4.09Å; L364-Y376 HydrophobicContact CD2-CG 4.13Å; L364-Y376 PolarHBondContact O-N 2.97Å; L364-F385 HydrophobicContact CB-CD2 4.44Å; L364-F385 HydrophobicContact CB-CE2 3.8Å; L364-I399 HydrophobicContact CD2-CD1 3.77Å; L364-V408 HydrophobicContact CD1-CG1 3.8Å
365	E	96.6	Very high	94.6	Very high	15 Å²	15	31.4 Å²	31.4	7%	0.07	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.9	165	-90.5	169.4	-144.5	0	0	109.6	W373 M374 V375 R409 R411	E365-W373 HydrophobicContact CB-CE3 4.1Å; E365-M374 CarbonylContact C-O 3.53Å; E365-M374 VanDerWaalsContact CA-O 3.31Å; E365-M374 WeakPolarHBondContact CA-O 3.11Å; E365-V375 HydrophobicContact CG-CB 4.11Å; E365-V375 HydrophobicContact CG-CG1 4.4Å; E365-V375 HydrophobicContact CG-CG2 3.75Å; E365-V375 WeakPolarHBondContact OE1-CG2 3.41Å; E365-R409 HydrophobicContact CB-CB 3.8Å; E365-R409 PolarHBondContact N-O 2.84Å; E365-R409 PolarHBondContact O-N 2.75Å; E365-R411 WeakPolarHBondContact OE1-CD 3.46Å; E365-R411 IonicContact OE1-CZ 3.16Å; E365-R411 IonicContact OE1-NE 2.91Å; E365-R411 IonicContact OE1-NH1 3.67Å; E365-R411 PolarHBondContact OE1-NH1 3.36Å; E365-R411 WeakPolarHBondContact OE2-CD 3.49Å; E365-R411 IonicContact OE2-CZ 3.34Å; E365-R411 IonicContact OE2-NH1 3.77Å; E365-R411 PolarHBondContact OE2-NH1 3.02Å
366	V	96.4	Very high	94.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.8	-179.9	-67.1	0	0	0	0	111.2	L364 M374 V403 A405 F407 T560	L364-V366 HydrophobicContact CD1-CG1 3.87Å; L364-V366 HydrophobicContact CD2-CG1 4.41Å; L364-V366 HydrophobicContact CG-CG1 4.09Å; V366-M374 HydrophobicContact CG2-CB 4.4Å; V366-M374 HydrophobicContact CG2-CE 3.98Å; V366-M374 PolarHBondContact N-O 3.2Å; V366-M374 PolarHBondContact O-N 3.4Å; V366-V403 HydrophobicContact CG1-CG1 4.33Å; V366-V403 HydrophobicContact CG2-CG2 4.07Å; V366-A405 HydrophobicContact CB-CB 3.85Å; V366-A405 HydrophobicContact CG1-CB 3.82Å; V366-F407 WeakPolarHBondContact CA-O 3.45Å; V366-T560 HydrophobicContact CG2-CG2 4.15Å
367	S	94.7	Very high	94.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.1	174.2	-179.4	0	0	0	0	111.3	N369 G370 D372 R406 F407 D559	S367-N369 PolarHBondContact OG-N 2.71Å; S367-N369 VanDerWaalsContact OG-N 3.17Å; S367-N369 PolarHBondContact OG-OD1 2.63Å; S367-G370 PolarHBondContact OG-N 3.33Å; S367-D372 WeakPolarHBondContact CB-O 3.49Å; S367-D372 PolarHBondContact OG-O 2.7Å; S367-R406 PolarHBondContact O-N 3.01Å; S367-R406 VanDerWaalsContact O-N 3.07Å; S367-F407 PolarHBondContact N-O 2.65Å; S367-F407 PolarHBondContact O-N 2.84Å; S367-D559 WeakPolarHBondContact CA-OD2 3.2Å
368	T	92.3	Very high	93.8	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	16%	0.158	C	C	.	.	S	Bend	trans	-89.2	-23.3	167.3	73.5	0	0	0	0	114.2	L337 V469 Q505 D559 P561	L337-T368 HydrophobicContact CD1-CG2 4.02Å; T368-V469 HydrophobicContact CG2-CG2 3.91Å; T368-Q505 PolarHBondContact OG1-NE2 3.46Å; T368-D559 PolarHBondContact N-OD2 2.88Å; T368-D559 PolarHBondContact OG1-OD1 2.83Å; T368-P561 HydrophobicContact CG2-CG 3.81Å
369	N	87.4	Confident	93.1	Very high	56 Å²	56	34 Å²	34	30%	0.299	18%	0.183	S	C	.	.	S	Bend	trans	-126.5	-8.7	-169.7	64.5	2.8	0	0	0	115	S367 E371 D372	S367-N369 PolarHBondContact OG-N 2.71Å; S367-N369 VanDerWaalsContact OG-N 3.17Å; S367-N369 PolarHBondContact OG-OD1 2.63Å; N369-E371 PolarHBondContact O-N 2.7Å; N369-E371 PolarHBondContact OD1-N 3.42Å; N369-D372 PolarHBondContact ND2-OD2 3.44Å; N369-D372 PolarHBondContact OD1-N 3.25Å
370	G	89.6	Confident	92.4	Very high	23 Å²	23	43 Å²	43	24%	0.237	22%	0.222	C	C	.	.	S	Bend	trans	82	-9.9	-178.1	0	0	0	0	0	114.2	S367 W373 F407	S367-G370 PolarHBondContact OG-N 3.33Å; G370-W373 PolarHBondContact O-NE1 3.24Å; G370-F407 VanDerWaalsContact N-CD2 3.29Å
371	E	87.5	Confident	91.9	Very high	120 Å²	120	47 Å²	47	56%	0.561	24%	0.242	S	C	*	.	S	Bend	trans	-96.9	-48.8	175.9	-63	-179.1	-170.4	0	0	111.4	N369 W373 R472	N369-E371 PolarHBondContact O-N 2.7Å; N369-E371 PolarHBondContact OD1-N 3.42Å; E371-W373 VanDerWaalsContact O-CD1 3.3Å; E371-R472 IonicContact OE1-NH1 3.65Å
372	D	88.8	Confident	91.7	Very high	17 Å²	17	50 Å²	50	9%	0.091	26%	0.255	C	S	.	.	S	Bend	trans	-98.7	106.6	-174	-70.3	-66.8	0	0	0	111.4	S367 N369 R508 Y558 D559	S367-D372 WeakPolarHBondContact CB-O 3.49Å; S367-D372 PolarHBondContact OG-O 2.7Å; N369-D372 PolarHBondContact ND2-OD2 3.44Å; N369-D372 PolarHBondContact OD1-N 3.25Å; D372-R508 IonicContact OD1-NH1 2.66Å; D372-R508 PolarHBondContact OD1-NH1 2.96Å; D372-Y558 HydrophobicContact CB-CE2 3.88Å; D372-Y558 WeakPolarHBondContact OD1-CE2 3.18Å; D372-Y558 PolarHBondContact OD1-OH 2.72Å; D372-D559 HydrophobicContact CB-CB 3.8Å
373	W	91.7	Very high	91.5	Very high	46 Å²	46	54.3 Å²	54.3	17%	0.174	27%	0.271	C	S	.	.			trans	-103.5	142.6	-173.1	-67.9	86	0	0	0	114.4	E331 E365 G370 E371 F407 R409	E331-W373 HydrophobicContact CG-CH2 4.21Å; E331-W373 WeakPolarHBondContact OE1-CH2 3.46Å; E331-W373 VanDerWaalsContact OE1-CZ2 3.3Å; E331-W373 WeakPolarHBondContact OE1-CZ2 3.38Å; E365-W373 HydrophobicContact CB-CE3 4.1Å; G370-W373 PolarHBondContact O-NE1 3.24Å; E371-W373 VanDerWaalsContact O-CD1 3.3Å; W373-F407 HydrophobicContact CH2-CB 3.5Å; W373-F407 HydrophobicContact CH2-CG 4.45Å; W373-F407 HydrophobicContact CZ2-CB 4.09Å; W373-F407 HydrophobicContact CZ3-CB 4.12Å; W373-R409 HydrophobicContact CE3-CB 4.47Å; W373-R409 HydrophobicContact CE3-CG 4.32Å; W373-R409 HydrophobicContact CH2-CB 4.4Å; W373-R409 HydrophobicContact CH2-CG 3.61Å; W373-R409 HydrophobicContact CZ2-CG 4.46Å; W373-R409 VanDerWaalsContact CZ2-NH2 3.33Å; W373-R409 HydrophobicContact CZ3-CB 3.85Å; W373-R409 HydrophobicContact CZ3-CG 3.55Å
374	M	92.2	Very high	91.4	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.9	170.9	-170.2	-173.6	67.9	0	0	112.1	E365 V366 Y376 V403 Q557 T560	E365-M374 CarbonylContact C-O 3.53Å; E365-M374 VanDerWaalsContact CA-O 3.31Å; E365-M374 WeakPolarHBondContact CA-O 3.11Å; V366-M374 HydrophobicContact CG2-CB 4.4Å; V366-M374 HydrophobicContact CG2-CE 3.98Å; V366-M374 PolarHBondContact N-O 3.2Å; V366-M374 PolarHBondContact O-N 3.4Å; M374-Y376 PolarHBondContact O-N 2.75Å; M374-V403 HydrophobicContact CE-CG2 4.49Å; M374-Q557 HydrophobicContact CB-CG 4.1Å; M374-Q557 HydrophobicContact CG-CB 4.16Å; M374-Q557 HydrophobicContact CG-CG 3.95Å; M374-Q557 HydrophobicContact SD-CB 3.54Å; M374-Q557 VanDerWaalsContact SD-CB 3.54Å; M374-Q557 HydrophobicContact SD-CG 3.97Å; M374-T560 VanDerWaalsContact CB-OG1 3.27Å; M374-T560 WeakPolarHBondContact CB-OG1 3.43Å; M374-T560 HydrophobicContact CE-CG2 3.71Å; M374-T560 WeakPolarHBondContact CE-OG1 3.37Å; M374-T560 PolarHBondContact SD-OG1 3.16Å
375	V	94.4	Very high	91.4	Very high	31 Å²	31	56 Å²	56	19%	0.188	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.5	164.3	-167.4	0	0	0	0	109.3	K363 E365 H382	K363-V375 HydrophobicContact CB-CG1 4.49Å; K363-V375 HydrophobicContact CD-CG1 4.28Å; E365-V375 HydrophobicContact CG-CB 4.11Å; E365-V375 HydrophobicContact CG-CG1 4.4Å; E365-V375 HydrophobicContact CG-CG2 3.75Å; E365-V375 WeakPolarHBondContact OE1-CG2 3.41Å; V375-H382 HydrophobicContact CG1-CB 3.95Å; V375-H382 VanDerWaalsContact CG1-CD2 3.43Å; V375-H382 WeakPolarHBondContact CG1-CD2 3.3Å
376	Y	94.5	Very high	91.4	Very high	9 Å²	9	62 Å²	62	4%	0.035	31%	0.309	C	S	.	.			trans	-60.3	138.2	-179.7	-176.8	-105.4	0	0	0	112	L364 M374 R383 F385 I399 Q401	L364-Y376 HydrophobicContact CD2-CG 4.13Å; L364-Y376 PolarHBondContact O-N 2.97Å; M374-Y376 PolarHBondContact O-N 2.75Å; Y376-R383 HydrophobicContact CD1-CB 3.69Å; Y376-R383 HydrophobicContact CD1-CG 4.06Å; Y376-R383 HydrophobicContact CE1-CB 4.07Å; Y376-R383 HydrophobicContact CE1-CG 4.14Å; Y376-R383 PolarHBondContact O-N 3.19Å; Y376-F385 AromaticContact CD1-CE2 3.95Å; Y376-F385 HydrophobicContact CD1-CE2 3.95Å; Y376-F385 AromaticContact CD1-CZ 3.71Å; Y376-F385 HydrophobicContact CD1-CZ 3.71Å; Y376-F385 AromaticContact CE1-CZ 3.91Å; Y376-F385 HydrophobicContact CE1-CZ 3.91Å; Y376-I399 HydrophobicContact CE1-CG2 3.84Å; Y376-I399 HydrophobicContact CE2-CG2 3.8Å; Y376-I399 VanDerWaalsContact OH-CG2 3.32Å; Y376-I399 WeakPolarHBondContact OH-CG2 3.45Å; Y376-Q401 PolarHBondContact OH-N 2.77Å; Y376-Q401 VanDerWaalsContact OH-N 3.16Å; Y376-Q401 PolarHBondContact OH-O 3.02Å; Y376-Q401 VanDerWaalsContact OH-O 3.08Å
377	R	90.3	Very high	91.3	Very high	124 Å²	124	62.4 Å²	62.4	47%	0.468	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-125.4	150	-176.9	-65.5	-179.1	-173.4	-102.6	-1.2	110.4	K380 N381 H382	R377-K380 PolarHBondContact NH1-O 2.97Å; R377-N381 WeakPolarHBondContact CA-O 3.41Å; R377-H382 PolarHBondContact NH2-NE2 3.24Å
378	H	86.4	Confident	91.5	Very high	90 Å²	90	62.5 Å²	62.5	42%	0.417	31%	0.313	S	S	.	.	S	Bend	trans	-139.9	106.8	167.7	-174.6	-107.7	0	0	0	107.8	N381 R383	H378-N381 PolarHBondContact N-O 2.77Å; H378-R383 HydrophobicContact CB-CB 4.39Å
379	G	84.9	Confident	91.7	Very high	65 Å²	65	67.3 Å²	67.3	67%	0.67	34%	0.343	S	S	*	.	S	Bend	trans	75.5	-150.9	-158.2	0	0	0	0	0	111.9
380	K	82.3	Confident	92.2	Very high	190 Å²	190	66.3 Å²	66.3	83%	0.826	34%	0.337	S	S	*	.	S	Bend	trans	-72.8	-32.5	-172.6	-63.6	-175.9	178.3	-178.5	0	114	R377	R377-K380 PolarHBondContact NH1-O 2.97Å
381	N	89.3	Confident	92.4	Very high	125 Å²	125	66.1 Å²	66.1	67%	0.668	33%	0.332	S	S	*	.	S	Bend	trans	-97.5	162.1	-168.9	-63.1	-4.7	0	0	0	111.7	R377 H378	R377-N381 WeakPolarHBondContact CA-O 3.41Å; H378-N381 PolarHBondContact N-O 2.77Å
382	H	92.7	Very high	92.7	Very high	74 Å²	74	63 Å²	63	34%	0.343	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-57.4	137.2	167.1	-58.5	147.6	0	0	0	110.1	K363 V375 R377 I384	K363-H382 HydrophobicContact CD-CB 4.49Å; V375-H382 HydrophobicContact CG1-CB 3.95Å; V375-H382 VanDerWaalsContact CG1-CD2 3.43Å; V375-H382 WeakPolarHBondContact CG1-CD2 3.3Å; R377-H382 PolarHBondContact NH2-NE2 3.24Å; H382-I384 PolarHBondContact O-N 3.21Å
383	R	94.3	Very high	93	Very high	90 Å²	90	68.5 Å²	68.5	34%	0.34	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-78.9	119.4	173.9	178.7	61.5	174.4	-176.2	-0.7	108.8	Y376 H378 F385	Y376-R383 HydrophobicContact CD1-CB 3.69Å; Y376-R383 HydrophobicContact CD1-CG 4.06Å; Y376-R383 HydrophobicContact CE1-CB 4.07Å; Y376-R383 HydrophobicContact CE1-CG 4.14Å; Y376-R383 PolarHBondContact O-N 3.19Å; H378-R383 HydrophobicContact CB-CB 4.39Å; R383-F385 HydrophobicContact CB-CE2 4.19Å; R383-F385 HydrophobicContact CB-CZ 4.43Å; R383-F385 HydrophobicContact CG-CD1 4.32Å; R383-F385 HydrophobicContact CG-CD2 4.04Å; R383-F385 HydrophobicContact CG-CE1 3.95Å; R383-F385 HydrophobicContact CG-CE2 3.62Å; R383-F385 HydrophobicContact CG-CG 4.39Å; R383-F385 HydrophobicContact CG-CZ 3.59Å
384	I	95.9	Very high	93.3	Very high	78 Å²	78	69.7 Å²	69.7	40%	0.4	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.6	162.5	-60	173.5	0	0	0	107	K363 H382	K363-I384 HydrophobicContact CG-CG1 4.4Å; H382-I384 PolarHBondContact O-N 3.21Å
385	F	97.1	Very high	93.6	Very high	1 Å²	1	70.8 Å²	70.8	0%	0.004	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.4	173.2	-66.4	-87.1	0	0	0	109	S361 F362 L364 Y376 R383 N397	S361-F385 WeakPolarHBondContact CA-O 3.3Å; S361-F385 VanDerWaalsContact CB-O 3.26Å; S361-F385 WeakPolarHBondContact CB-O 3.35Å; F362-F385 HydrophobicContact CD1-CB 4.26Å; F362-F385 HydrophobicContact CD2-CB 4.02Å; F362-F385 HydrophobicContact CD2-CD2 4.03Å; F362-F385 HydrophobicContact CD2-CG 4.37Å; F362-F385 HydrophobicContact CE1-CB 3.88Å; F362-F385 HydrophobicContact CE2-CB 3.63Å; F362-F385 AromaticContact CE2-CD2 3.65Å; F362-F385 HydrophobicContact CE2-CD2 3.65Å; F362-F385 HydrophobicContact CE2-CE2 4.49Å; F362-F385 AromaticContact CE2-CG 3.77Å; F362-F385 HydrophobicContact CE2-CG 3.77Å; F362-F385 HydrophobicContact CG-CB 4.31Å; F362-F385 HydrophobicContact CZ-CB 3.56Å; F362-F385 HydrophobicContact CZ-CD2 4.35Å; F362-F385 AromaticContact CZ-CG 4Å; F362-F385 HydrophobicContact CZ-CG 4Å; F362-F385 PolarHBondContact N-O 3.46Å; F362-F385 VanDerWaalsContact N-O 3.09Å; F362-F385 PolarHBondContact O-N 2.87Å; L364-F385 HydrophobicContact CB-CD2 4.44Å; L364-F385 HydrophobicContact CB-CE2 3.8Å; Y376-F385 AromaticContact CD1-CE2 3.95Å; Y376-F385 HydrophobicContact CD1-CE2 3.95Å; Y376-F385 AromaticContact CD1-CZ 3.71Å; Y376-F385 HydrophobicContact CD1-CZ 3.71Å; Y376-F385 AromaticContact CE1-CZ 3.91Å; Y376-F385 HydrophobicContact CE1-CZ 3.91Å; R383-F385 HydrophobicContact CB-CE2 4.19Å; R383-F385 HydrophobicContact CB-CZ 4.43Å; R383-F385 HydrophobicContact CG-CD1 4.32Å; R383-F385 HydrophobicContact CG-CD2 4.04Å; R383-F385 HydrophobicContact CG-CE1 3.95Å; R383-F385 HydrophobicContact CG-CE2 3.62Å; R383-F385 HydrophobicContact CG-CG 4.39Å; R383-F385 HydrophobicContact CG-CZ 3.59Å; F385-N397 HydrophobicContact CD1-CB 3.81Å; F385-N397 WeakPolarHBondContact CD1-OD1 3.32Å; F385-N397 HydrophobicContact CE1-CB 4.47Å
386	H	96.9	Very high	93.7	Very high	142 Å²	142	73.3 Å²	73.3	66%	0.657	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.5	174.7	-67.9	-69.7	0	0	0	108.4	N397	H386-N397 PolarHBondContact O-ND2 3.15Å; H386-N397 PolarHBondContact O-OD1 3.12Å
387	A	95.2	Very high	93.8	Very high	10 Å²	10	74 Å²	74	8%	0.083	39%	0.388	C	S	.	.			trans	-106	-137.6	-175.1	0	0	0	0	0	109.9	V359 T360 F362	V359-A387 HydrophobicContact CG1-CB 4.41Å; V359-A387 VanDerWaalsContact O-CB 3.27Å; V359-A387 WeakPolarHBondContact O-CB 3.35Å; T360-A387 PolarHBondContact O-N 2.67Å; F362-A387 HydrophobicContact CD1-CB 3.83Å; F362-A387 HydrophobicContact CE1-CB 4.01Å
388	N	97.8	Very high	94.1	Very high	3 Å²	3	77.6 Å²	77.6	2%	0.016	40%	0.401	C	S	.	.			trans	-80	149.2	-163.3	-59.2	84.1	0	0	0	113.4	T345 Q346 Y358 V359 T360 D390 E393	T345-N388 WeakPolarHBondContact CB-OD1 3.28Å; T345-N388 PolarHBondContact O-ND2 2.99Å; T345-N388 PolarHBondContact O-OD1 2.82Å; T345-N388 PolarHBondContact OG1-OD1 3.1Å; Q346-N388 WeakPolarHBondContact CA-ND2 3.23Å; Q346-N388 PolarHBondContact N-OD1 2.79Å; Y358-N388 HydrophobicContact CD2-CB 4.21Å; Y358-N388 VanDerWaalsContact CD2-O 3.31Å; Y358-N388 WeakPolarHBondContact CD2-O 3.38Å; Y358-N388 WeakPolarHBondContact CE2-O 3.4Å; V359-N388 PolarHBondContact O-N 3.32Å; T360-N388 WeakPolarHBondContact CG2-O 3.44Å; N388-D390 WeakPolarHBondContact CB-O 3.3Å; N388-E393 PolarHBondContact ND2-O 3.04Å
389	T	97.2	Very high	94.5	Very high	104 Å²	104	73.7 Å²	73.7	64%	0.638	38%	0.384	S	S	*	.	S	Bend	trans	-96.8	-13.3	174.2	34.6	0	0	0	0	113.5	Y358	Y358-T389 VanDerWaalsContact CE2-O 3.23Å; Y358-T389 WeakPolarHBondContact CE2-O 3.3Å; Y358-T389 VanDerWaalsContact CZ-C 3.46Å; Y358-T389 PolarHBondContact OH-O 3.18Å
390	D	96.4	Very high	94.8	Very high	34 Å²	34	73.4 Å²	73.4	18%	0.182	37%	0.37	C	S	.	.	S	Bend	trans	-160	173.8	-166.9	67.3	89.9	0	0	0	108.4	N388 A392 E393	N388-D390 WeakPolarHBondContact CB-O 3.3Å; D390-A392 PolarHBondContact OD1-N 3.29Å; D390-E393 PolarHBondContact OD1-N 3.44Å
391	P	94.4	Very high	95.2	Very high	19 Å²	19	70.3 Å²	70.3	12%	0.123	36%	0.358	C	S	.	.	S	Bend	trans	-85.9	-5.7	-174.8	36.3	-38.7	0	0	0	115.5	G347 A348 I349 A356 Y358 R422	G347-P391 CarbonylContact C-O 3.53Å; G347-P391 PolarHBondContact N-O 2.83Å; A348-P391 PolarHBondContact N-O 3.44Å; A348-P391 VanDerWaalsContact O-CB 3.27Å; A348-P391 WeakPolarHBondContact O-CB 3.49Å; I349-P391 HydrophobicContact CD1-CG 3.93Å; I349-P391 HydrophobicContact CG1-CB 3.81Å; I349-P391 HydrophobicContact CG1-CG 3.59Å; A356-P391 HydrophobicContact CB-CB 3.93Å; A356-P391 HydrophobicContact CB-CG 3.64Å; Y358-P391 HydrophobicContact CD1-CB 4.47Å; P391-R422 PolarHBondContact O-NH2 3.44Å
392	A	93.8	Very high	95.3	Very high	56 Å²	56	68 Å²	68	46%	0.463	35%	0.35	S	S	.	.	S	Bend	trans	-120.6	-40.8	-162.6	0	0	0	0	0	114.4	Q346 D390	Q346-A392 PolarHBondContact NE2-O 3.28Å; D390-A392 PolarHBondContact OD1-N 3.29Å
393	E	96.4	Very high	95.4	Very high	132 Å²	132	65 Å²	65	62%	0.617	34%	0.337	S	S	*	.	S	Bend	trans	-68.6	143.5	-177.6	-65.8	-168.2	-175.1	0	0	112.1	N388 D390	N388-E393 PolarHBondContact ND2-O 3.04Å; D390-E393 PolarHBondContact OD1-N 3.44Å
394	V	97.7	Very high	95.4	Very high	71 Å²	71	61 Å²	61	43%	0.43	32%	0.322	S	S	.	.			trans	-85.9	118.6	177.4	-178.3	0	0	0	0	109.8	L312 A344 Q346	L312-V394 HydrophobicContact CD1-CG1 4.3Å; L312-V394 HydrophobicContact CD1-CG2 4.47Å; L312-V394 HydrophobicContact CD2-CG1 4.27Å; L312-V394 HydrophobicContact CD2-CG2 4.48Å; A344-V394 HydrophobicContact CB-CG1 3.82Å; Q346-V394 HydrophobicContact CG-CB 4.44Å; Q346-V394 HydrophobicContact CG-CG2 3.84Å
395	V	98	Very high	95.3	Very high	38 Å²	38	57.2 Å²	57.2	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	103.1	175.7	179.6	0	0	0	0	110.2	A344 T345 N397	A344-V395 WeakPolarHBondContact CA-O 3.46Å; T345-V395 PolarHBondContact N-O 2.97Å; T345-V395 PolarHBondContact O-N 3.31Å; V395-N397 PolarHBondContact O-N 3.33Å
396	L	97	Very high	95.2	Very high	85 Å²	85	58.5 Å²	58.5	45%	0.445	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	107.9	176.2	177.2	61.1	0	0	0	111.7	A344	A344-L396 HydrophobicContact CB-CD1 4.18Å
397	N	96.6	Very high	95.2	Very high	23 Å²	23	53 Å²	53	12%	0.123	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.7	168.4	-81.7	-91.8	0	0	0	110.3	G342 I343 F362 F385 H386 V395	G342-N397 CarbonylContact C-O 3.43Å; G342-N397 VanDerWaalsContact CA-O 3.23Å; G342-N397 WeakPolarHBondContact CA-O 3.34Å; I343-N397 PolarHBondContact N-O 3.15Å; I343-N397 PolarHBondContact O-N 2.83Å; F362-N397 HydrophobicContact CZ-CB 4.47Å; F385-N397 HydrophobicContact CD1-CB 3.81Å; F385-N397 WeakPolarHBondContact CD1-OD1 3.32Å; F385-N397 HydrophobicContact CE1-CB 4.47Å; H386-N397 PolarHBondContact O-ND2 3.15Å; H386-N397 PolarHBondContact O-OD1 3.12Å; V395-N397 PolarHBondContact O-N 3.33Å
398	R	95.4	Very high	95.4	Very high	199 Å²	199	52.6 Å²	52.6	75%	0.751	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	137.2	166.8	-65.9	-173.4	-179.3	-165.2	-1.3	110.4	P400	R398-P400 WeakPolarHBondContact O-CD 3.31Å
399	I	94.6	Very high	95.4	Very high	9 Å²	9	54 Å²	54	5%	0.046	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.2	176.5	-57	-179.2	0	0	0	107.9	L340 T341 L364 Y376 Q401 V403	L340-I399 HydrophobicContact CB-CD1 4.3Å; L340-I399 HydrophobicContact CD2-CD1 3.61Å; L340-I399 HydrophobicContact CG-CD1 3.62Å; T341-I399 PolarHBondContact O-N 2.87Å; L364-I399 HydrophobicContact CD2-CD1 3.77Å; Y376-I399 HydrophobicContact CE1-CG2 3.84Å; Y376-I399 HydrophobicContact CE2-CG2 3.8Å; Y376-I399 VanDerWaalsContact OH-CG2 3.32Å; Y376-I399 WeakPolarHBondContact OH-CG2 3.45Å; I399-Q401 VanDerWaalsContact C-N 3.25Å; I399-Q401 VanDerWaalsContact CG2-O 3.23Å; I399-Q401 WeakPolarHBondContact CG2-O 3.45Å; I399-Q401 PolarHBondContact O-N 2.64Å; I399-V403 HydrophobicContact CD1-CG1 4.43Å
400	P	91.4	Very high	95.4	Very high	59 Å²	59	49.1 Å²	49.1	38%	0.383	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-28.8	-172.4	-26.7	35.5	0	0	0	115.2	R398	R398-P400 WeakPolarHBondContact O-CD 3.31Å
401	Q	90.4	Very high	95.5	Very high	124 Å²	124	50 Å²	50	58%	0.579	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	110.4	172.5	-67.2	178.8	-49.9	0	0	106.8	Y376 I399	Y376-Q401 PolarHBondContact OH-N 2.77Å; Y376-Q401 VanDerWaalsContact OH-N 3.16Å; Y376-Q401 PolarHBondContact OH-O 3.02Å; Y376-Q401 VanDerWaalsContact OH-O 3.08Å; I399-Q401 VanDerWaalsContact C-N 3.25Å; I399-Q401 VanDerWaalsContact CG2-O 3.23Å; I399-Q401 WeakPolarHBondContact CG2-O 3.45Å; I399-Q401 PolarHBondContact O-N 2.64Å
402	P	92.8	Very high	95.7	Very high	78 Å²	78	49.1 Å²	49.1	51%	0.506	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	141.8	177.7	-32.4	38.7	0	0	0	112.8	V339 L340 T341	V339-P402 HydrophobicContact CG1-CB 3.9Å; L340-P402 WeakPolarHBondContact O-CA 3.36Å; T341-P402 HydrophobicContact CG2-CB 4.05Å; T341-P402 HydrophobicContact CG2-CG 4.04Å
403	V	93.6	Very high	95.9	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.3	-175.8	65.8	0	0	0	0	110.4	L340 V366 M374 I399 T560	L340-V403 HydrophobicContact CB-CG1 4.06Å; L340-V403 HydrophobicContact CD2-CG1 4.32Å; L340-V403 PolarHBondContact N-O 3.26Å; L340-V403 PolarHBondContact O-N 2.72Å; L340-V403 VanDerWaalsContact O-N 3.13Å; V366-V403 HydrophobicContact CG1-CG1 4.33Å; V366-V403 HydrophobicContact CG2-CG2 4.07Å; M374-V403 HydrophobicContact CE-CG2 4.49Å; I399-V403 HydrophobicContact CD1-CG1 4.43Å; V403-T560 HydrophobicContact CG2-CG2 3.51Å
404	L	94.6	Very high	96	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.1	171.6	-73.3	172.4	0	0	0	109.4	L337 K338 V339 I430 I503 P561 L563	L337-L404 HydrophobicContact CD1-CB 4.21Å; L337-L404 HydrophobicContact CD2-CB 4.5Å; L337-L404 HydrophobicContact CD2-CD1 4.44Å; L337-L404 HydrophobicContact CG-CB 4.32Å; L337-L404 HydrophobicContact CG-CD2 4.4Å; K338-L404 WeakPolarHBondContact O-CA 3.46Å; V339-L404 HydrophobicContact CB-CD2 4.44Å; V339-L404 HydrophobicContact CG2-CD2 3.63Å; L404-I430 HydrophobicContact CD2-CD1 3.81Å; L404-I430 HydrophobicContact CD2-CG1 3.75Å; L404-I503 HydrophobicContact CD1-CD1 4.13Å; L404-I503 HydrophobicContact CD1-CG1 4.27Å; L404-I503 HydrophobicContact CD1-CG2 3.67Å; L404-P561 HydrophobicContact CB-CG 3.77Å; L404-P561 HydrophobicContact CD1-CB 4.11Å; L404-P561 HydrophobicContact CD1-CG 4.12Å; L404-L563 HydrophobicContact CD1-CB 4.13Å
405	A	94.7	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.9	-179.7	0	0	0	0	0	111.2	K338 V366 V408	K338-A405 PolarHBondContact N-O 3.17Å; K338-A405 PolarHBondContact O-N 2.99Å; V366-A405 HydrophobicContact CB-CB 3.85Å; V366-A405 HydrophobicContact CG1-CB 3.82Å; A405-V408 HydrophobicContact CB-CG2 4.06Å
406	R	94.8	Very high	96	Very high	28 Å²	28	48.1 Å²	48.1	11%	0.106	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-52.8	161.2	171.9	177.2	165.4	170.7	-3.7	109.1	L226 I227 D333 L334 H335 S367	L226-R406 PolarHBondContact O-NH1 2.62Å; I227-R406 PolarHBondContact O-NH2 3.46Å; D333-R406 WeakPolarHBondContact OD1-CG 3.39Å; D333-R406 IonicContact OD1-CZ 2.72Å; D333-R406 IonicContact OD1-NE 3.49Å; D333-R406 PolarHBondContact OD1-NE 2.94Å; D333-R406 IonicContact OD1-NH2 3.21Å; D333-R406 IonicContact OD2-CZ 3.91Å; D333-R406 IonicContact OD2-NE 3.26Å; D333-R406 PolarHBondContact OD2-NE 2.89Å; D333-R406 IonicContact OD2-NH2 2.71Å; D333-R406 PolarHBondContact OD2-NH2 3.26Å; L334-R406 WeakPolarHBondContact CB-O 3.41Å; L334-R406 VanDerWaalsContact CG-O 3.26Å; L334-R406 WeakPolarHBondContact CG-O 3.44Å; L334-R406 PolarHBondContact N-O 2.71Å; H335-R406 WeakPolarHBondContact O-CD 3.41Å; H335-R406 PolarHBondContact O-NE 2.93Å; H335-R406 PolarHBondContact O-NH1 2.86Å; S367-R406 PolarHBondContact O-N 3.01Å; S367-R406 VanDerWaalsContact O-N 3.07Å
407	F	96.8	Very high	95.9	Very high	27 Å²	27	49 Å²	49	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135	178	-59.9	-97.8	0	0	0	110.7	V332 D333 V366 S367 G370 W373	V332-F407 CarbonylContact O-C 3.56Å; V332-F407 WeakPolarHBondContact O-CA 3.28Å; D333-F407 HydrophobicContact CB-CD1 3.79Å; D333-F407 HydrophobicContact CB-CE1 3.62Å; D333-F407 HydrophobicContact CB-CZ 4.4Å; D333-F407 WeakPolarHBondContact OD2-CE1 3.38Å; D333-F407 WeakPolarHBondContact OD2-CZ 3.36Å; V366-F407 WeakPolarHBondContact CA-O 3.45Å; S367-F407 PolarHBondContact N-O 2.65Å; S367-F407 PolarHBondContact O-N 2.84Å; G370-F407 VanDerWaalsContact N-CD2 3.29Å; W373-F407 HydrophobicContact CH2-CB 3.5Å; W373-F407 HydrophobicContact CH2-CG 4.45Å; W373-F407 HydrophobicContact CZ2-CB 4.09Å; W373-F407 HydrophobicContact CZ3-CB 4.12Å
408	V	98.1	Very high	95.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.8	-177.1	179	0	0	0	0	109.9	E331 V332 L334 L340 L364 A405 L425	E331-V408 CarbonylContact C-O 3.54Å; E331-V408 WeakPolarHBondContact CA-O 3.45Å; V332-V408 PolarHBondContact N-O 2.96Å; V332-V408 PolarHBondContact O-N 3.39Å; L334-V408 HydrophobicContact CD1-CG2 3.91Å; L340-V408 HydrophobicContact CD2-CG1 4.14Å; L340-V408 HydrophobicContact CD2-CG2 4.19Å; L364-V408 HydrophobicContact CD1-CG1 3.8Å; A405-V408 HydrophobicContact CB-CG2 4.06Å; V408-L425 HydrophobicContact CB-CD1 4.09Å; V408-L425 HydrophobicContact CG1-CD1 4.05Å; V408-L425 HydrophobicContact CG1-CD2 3.98Å; V408-L425 HydrophobicContact CG2-CD1 4.3Å
409	R	98.1	Very high	96	Very high	33 Å²	33	38.6 Å²	38.6	13%	0.125	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.4	175.1	-86.7	178.2	-175.4	155.3	9.8	111.7	Y329 I330 E331 E365 W373	Y329-R409 HydrophobicContact CD2-CG 3.81Å; Y329-R409 HydrophobicContact CE2-CG 4.44Å; Y329-R409 HydrophobicContact CG-CG 4.16Å; I330-R409 CarbonylContact O-C 3.57Å; I330-R409 WeakPolarHBondContact O-CA 3.2Å; E331-R409 HydrophobicContact CB-CG 3.85Å; E331-R409 HydrophobicContact CG-CG 3.98Å; E331-R409 IonicContact OE1-NH2 3.36Å; E331-R409 IonicContact OE2-CZ 2.79Å; E331-R409 IonicContact OE2-NE 3.78Å; E331-R409 PolarHBondContact OE2-NE 2.84Å; E331-R409 IonicContact OE2-NH2 3.49Å; E331-R409 PolarHBondContact OE2-NH2 2.66Å; E365-R409 HydrophobicContact CB-CB 3.8Å; E365-R409 PolarHBondContact N-O 2.84Å; E365-R409 PolarHBondContact O-N 2.75Å; W373-R409 HydrophobicContact CE3-CB 4.47Å; W373-R409 HydrophobicContact CE3-CG 4.32Å; W373-R409 HydrophobicContact CH2-CB 4.4Å; W373-R409 HydrophobicContact CH2-CG 3.61Å; W373-R409 HydrophobicContact CZ2-CG 4.46Å; W373-R409 VanDerWaalsContact CZ2-NH2 3.33Å; W373-R409 HydrophobicContact CZ3-CB 3.85Å; W373-R409 HydrophobicContact CZ3-CG 3.55Å
410	I	98.3	Very high	96.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.8	168.1	-57.6	175.8	0	0	0	108.2	Y329 I330 I343 F362 L421 F423	Y329-I410 WeakPolarHBondContact CA-O 3.29Å; I330-I410 HydrophobicContact CG2-CB 4.09Å; I330-I410 PolarHBondContact N-O 2.97Å; I330-I410 PolarHBondContact O-N 3.23Å; I343-I410 HydrophobicContact CG2-CD1 3.77Å; F362-I410 HydrophobicContact CB-CG2 3.94Å; F362-I410 HydrophobicContact CD1-CG2 4.42Å; F362-I410 HydrophobicContact CD2-CG2 3.83Å; F362-I410 HydrophobicContact CE2-CG2 4.43Å; F362-I410 HydrophobicContact CG-CG2 3.83Å; I410-L421 HydrophobicContact CB-CD2 4.23Å; I410-L421 HydrophobicContact CD1-CD2 4.41Å; I410-L421 HydrophobicContact CG2-CD2 3.75Å; I410-F423 HydrophobicContact CD1-CB 4.1Å; I410-F423 HydrophobicContact CD1-CD1 4.12Å; I410-F423 HydrophobicContact CD1-CD2 3.47Å; I410-F423 VanDerWaalsContact CD1-CD2 3.47Å; I410-F423 HydrophobicContact CD1-CE1 4.42Å; I410-F423 HydrophobicContact CD1-CE2 3.81Å; I410-F423 HydrophobicContact CD1-CG 3.64Å; I410-F423 HydrophobicContact CD1-CZ 4.27Å
411	R	98	Very high	96.4	Very high	52 Å²	52	35.3 Å²	35.3	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.4	-177.7	-52.5	-164.1	74.5	163.5	9.4	110.8	K327 F362 K363 E365	K327-R411 PolarHBondContact O-NH2 3.08Å; F362-R411 CarbonylContact C-O 3.56Å; F362-R411 VanDerWaalsContact CA-O 3.23Å; F362-R411 WeakPolarHBondContact CA-O 3.34Å; F362-R411 WeakPolarHBondContact CB-O 3.37Å; K363-R411 PolarHBondContact N-O 3.06Å; K363-R411 PolarHBondContact O-N 3.41Å; E365-R411 WeakPolarHBondContact OE1-CD 3.46Å; E365-R411 IonicContact OE1-CZ 3.16Å; E365-R411 IonicContact OE1-NE 2.91Å; E365-R411 IonicContact OE1-NH1 3.67Å; E365-R411 PolarHBondContact OE1-NH1 3.36Å; E365-R411 WeakPolarHBondContact OE2-CD 3.49Å; E365-R411 IonicContact OE2-CZ 3.34Å; E365-R411 IonicContact OE2-NH1 3.77Å; E365-R411 PolarHBondContact OE2-NH1 3.02Å
412	P	98.3	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	140.6	173.8	-26	35.6	0	0	0	111.5	W319 N326 V359 W415 I419	W319-P412 HydrophobicContact CZ3-CG 4.24Å; N326-P412 WeakPolarHBondContact CA-O 3.42Å; V359-P412 HydrophobicContact CG1-CB 4.1Å; V359-P412 HydrophobicContact CG2-CB 4.01Å; V359-P412 HydrophobicContact CG2-CG 4Å; P412-W415 HydrophobicContact CB-CE3 4.06Å; P412-W415 HydrophobicContact CB-CZ3 4.29Å; P412-I419 HydrophobicContact CB-CD1 3.89Å; P412-I419 HydrophobicContact CB-CG1 4.11Å; P412-I419 HydrophobicContact CB-CG2 4.28Å; P412-I419 HydrophobicContact CG-CD1 4.17Å; P412-I419 HydrophobicContact CG-CG1 4.45Å; P412-I419 HydrophobicContact CG-CG2 3.76Å
413	Q	97.8	Very high	97.1	Very high	36 Å²	36	27.1 Å²	27.1	17%	0.168	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	-34.1	178.5	-62.5	-65.8	-89.6	0	0	112	N326 S361 K363	N326-Q413 PolarHBondContact O-NE2 2.67Å; N326-Q413 VanDerWaalsContact O-NE2 3.16Å; S361-Q413 PolarHBondContact O-N 3.2Å; K363-Q413 HydrophobicContact CB-CG 4.44Å; K363-Q413 HydrophobicContact CD-CG 4.17Å; K363-Q413 HydrophobicContact CG-CG 3.95Å
414	T	98.3	Very high	97.3	Very high	68 Å²	68	26.8 Å²	26.8	42%	0.417	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	150.8	169	59.8	0	0	0	0	109.6	T360 S361	T360-T414 PolarHBondContact N-O 3.24Å; T360-T414 VanDerWaalsContact OG1-CB 3.32Å; T360-T414 WeakPolarHBondContact OG1-CB 3.44Å; T360-T414 PolarHBondContact OG1-O 2.61Å; T360-T414 VanDerWaalsContact OG1-O 3.13Å; T360-T414 PolarHBondContact OG1-OG1 2.88Å; S361-T414 WeakPolarHBondContact CB-OG1 3.46Å; S361-T414 PolarHBondContact N-O 2.84Å; S361-T414 VanDerWaalsContact N-O 3.13Å; S361-T414 PolarHBondContact N-OG1 2.86Å; S361-T414 PolarHBondContact O-N 3.4Å; S361-T414 PolarHBondContact OG-OG1 3.21Å
415	W	98.3	Very high	97.5	Very high	70 Å²	70	26.5 Å²	26.5	27%	0.265	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	171.6	-176.3	49.1	92.3	0	0	0	111.1	D324 N326 Y358 T360 P412 G418 I419	D324-W415 HydrophobicContact CB-CZ2 3.94Å; D324-W415 VanDerWaalsContact O-CZ2 3.3Å; D324-W415 WeakPolarHBondContact O-CZ2 3.24Å; N326-W415 HydrophobicContact CB-CH2 4.32Å; N326-W415 HydrophobicContact CB-CZ3 4.28Å; Y358-W415 CarbonylContact O-C 3.5Å; Y358-W415 VanDerWaalsContact O-CA 3.23Å; Y358-W415 WeakPolarHBondContact O-CA 3.5Å; Y358-W415 WeakPolarHBondContact O-CB 3.31Å; T360-W415 PolarHBondContact OG1-N 2.79Å; P412-W415 HydrophobicContact CB-CE3 4.06Å; P412-W415 HydrophobicContact CB-CZ3 4.29Å; W415-G418 VanDerWaalsContact CD1-C 3.42Å; W415-I419 HydrophobicContact CB-CG1 4.3Å; W415-I419 HydrophobicContact CD2-CD1 4.08Å; W415-I419 HydrophobicContact CD2-CG1 3.46Å; W415-I419 VanDerWaalsContact CD2-CG1 3.46Å; W415-I419 HydrophobicContact CE3-CD1 3.91Å; W415-I419 HydrophobicContact CE3-CG1 3.66Å; W415-I419 HydrophobicContact CG-CG1 3.75Å; W415-I419 HydrophobicContact CH2-CD1 4.13Å; W415-I419 HydrophobicContact CZ2-CD1 4.27Å; W415-I419 HydrophobicContact CZ2-CG1 4.39Å; W415-I419 HydrophobicContact CZ3-CD1 3.94Å; W415-I419 HydrophobicContact CZ3-CG1 4.21Å
416	K	97.6	Very high	97.6	Very high	102 Å²	102	28.4 Å²	28.4	44%	0.443	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.2	175.7	-179.5	66	176.8	-178.7	0	109.7	Y358 T360 G418	Y358-K416 HydrophobicContact CD1-CB 3.94Å; Y358-K416 HydrophobicContact CD1-CG 4.3Å; Y358-K416 HydrophobicContact CD2-CB 3.96Å; Y358-K416 HydrophobicContact CE1-CB 3.59Å; Y358-K416 HydrophobicContact CE1-CG 3.55Å; Y358-K416 HydrophobicContact CE2-CB 3.64Å; Y358-K416 HydrophobicContact CE2-CG 4.23Å; Y358-K416 HydrophobicContact CG-CB 4.12Å; Y358-K416 VanDerWaalsContact CZ-CB 3.45Å; Y358-K416 PolarHBondContact N-O 2.81Å; Y358-K416 PolarHBondContact O-N 3.09Å; T360-K416 HydrophobicContact CG2-CB 4.36Å; K416-G418 PolarHBondContact O-N 2.94Å
417	N	95.5	Very high	97.6	Very high	103 Å²	103	27 Å²	27	55%	0.551	13%	0.126	S	C	*	.	S	Bend	trans	63.4	-25.1	-178.3	-53.9	-18.8	0	0	0	116	A356 Y357	A356-N417 WeakPolarHBondContact O-CB 3.5Å; A356-N417 PolarHBondContact O-ND2 3.3Å; Y357-N417 HydrophobicContact CD1-CB 3.84Å; Y357-N417 HydrophobicContact CE1-CB 3.99Å
418	G	96.1	Very high	97.3	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	13%	0.125	C	C	.	.	S	Bend	trans	166.8	168.9	174.4	0	0	0	0	0	110.8	D324 W415 K416 A420	D324-G418 WeakPolarHBondContact OD2-CA 3.39Å; W415-G418 VanDerWaalsContact CD1-C 3.42Å; K416-G418 PolarHBondContact O-N 2.94Å; G418-A420 PolarHBondContact O-N 2.68Å
419	I	98	Very high	96.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.138	C	C	.	.			trans	-74.6	113.3	174.7	-64.2	173.8	0	0	0	108.5	W319 T320 P321 D324 V359 P412 W415	W319-I419 HydrophobicContact CH2-CG2 4.48Å; W319-I419 HydrophobicContact CZ3-CG2 4.03Å; T320-I419 VanDerWaalsContact CB-O 3.29Å; T320-I419 WeakPolarHBondContact CB-O 3.43Å; T320-I419 VanDerWaalsContact CG2-O 3.24Å; T320-I419 WeakPolarHBondContact CG2-O 3.36Å; T320-I419 PolarHBondContact OG1-O 2.72Å; P321-I419 HydrophobicContact CG-CB 4.03Å; P321-I419 HydrophobicContact CG-CD1 3.97Å; P321-I419 HydrophobicContact CG-CG2 4Å; D324-I419 WeakPolarHBondContact OD1-CB 3.5Å; D324-I419 WeakPolarHBondContact OD1-CG1 3.17Å; D324-I419 PolarHBondContact OD1-N 3.1Å; V359-I419 HydrophobicContact CG2-CG2 4.15Å; P412-I419 HydrophobicContact CB-CD1 3.89Å; P412-I419 HydrophobicContact CB-CG1 4.11Å; P412-I419 HydrophobicContact CB-CG2 4.28Å; P412-I419 HydrophobicContact CG-CD1 4.17Å; P412-I419 HydrophobicContact CG-CG1 4.45Å; P412-I419 HydrophobicContact CG-CG2 3.76Å; W415-I419 HydrophobicContact CB-CG1 4.3Å; W415-I419 HydrophobicContact CD2-CD1 4.08Å; W415-I419 HydrophobicContact CD2-CG1 3.46Å; W415-I419 VanDerWaalsContact CD2-CG1 3.46Å; W415-I419 HydrophobicContact CE3-CD1 3.91Å; W415-I419 HydrophobicContact CE3-CG1 3.66Å; W415-I419 HydrophobicContact CG-CG1 3.75Å; W415-I419 HydrophobicContact CH2-CD1 4.13Å; W415-I419 HydrophobicContact CZ2-CD1 4.27Å; W415-I419 HydrophobicContact CZ2-CG1 4.39Å; W415-I419 HydrophobicContact CZ3-CD1 3.94Å; W415-I419 HydrophobicContact CZ3-CG1 4.21Å
420	A	97.4	Very high	96.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.			trans	-135.7	132.8	162.6	0	0	0	0	0	108.4	W305 A318 W319 A348 Y357 V359 G418	W305-A420 HydrophobicContact CZ3-CB 4.12Å; A318-A420 HydrophobicContact CB-CB 4.08Å; W319-A420 WeakPolarHBondContact O-CA 2.86Å; A348-A420 HydrophobicContact CB-CB 4.49Å; Y357-A420 VanDerWaalsContact CB-CB 3.43Å; V359-A420 PolarHBondContact N-O 3.37Å; G418-A420 PolarHBondContact O-N 2.68Å
421	L	97.8	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-141.3	127.9	-175.5	-174.2	65.9	0	0	0	112.1	A310 W319 I330 T345 Q346 V359 I410 F423	A310-L421 WeakPolarHBondContact CA-O 3.44Å; W319-L421 HydrophobicContact CE3-CB 4.2Å; W319-L421 PolarHBondContact N-O 3.43Å; W319-L421 PolarHBondContact O-N 2.95Å; W319-L421 VanDerWaalsContact O-N 3.1Å; I330-L421 HydrophobicContact CG2-CD2 3.81Å; T345-L421 HydrophobicContact CG2-CD1 3.91Å; Q346-L421 WeakPolarHBondContact O-CA 3.38Å; V359-L421 HydrophobicContact CB-CD1 4.49Å; V359-L421 HydrophobicContact CG2-CB 4.3Å; V359-L421 HydrophobicContact CG2-CD1 4.4Å; I410-L421 HydrophobicContact CB-CD2 4.23Å; I410-L421 HydrophobicContact CD1-CD2 4.41Å; I410-L421 HydrophobicContact CG2-CD2 3.75Å; L421-F423 HydrophobicContact CD2-CD1 4.17Å; L421-F423 HydrophobicContact CG-CD1 4.17Å
422	R	98.4	Very high	95.2	Very high	28 Å²	28	26.8 Å²	26.8	11%	0.106	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.5	158.8	-72.3	176.2	-63.5	154.3	10.6	108.3	A310 R311 N314 N317 A318 T345 Q346 G347 P391	A310-R422 CarbonylContact O-C 3.59Å; A310-R422 VanDerWaalsContact O-CA 3.25Å; A310-R422 WeakPolarHBondContact O-CA 3.44Å; R311-R422 WeakPolarHBondContact O-CB 3.34Å; R311-R422 WeakPolarHBondContact O-CG 3.39Å; N314-R422 WeakPolarHBondContact O-CD 3.36Å; N314-R422 PolarHBondContact O-NH1 3.19Å; N317-R422 WeakPolarHBondContact O-CD 3.44Å; A318-R422 HydrophobicContact CB-CG 3.96Å; T345-R422 CarbonylContact C-O 3.54Å; T345-R422 WeakPolarHBondContact CA-O 3.46Å; Q346-R422 HydrophobicContact CB-CB 3.92Å; Q346-R422 PolarHBondContact N-O 3.29Å; Q346-R422 PolarHBondContact O-N 3.16Å; G347-R422 VanDerWaalsContact O-CZ 3.26Å; G347-R422 PolarHBondContact O-NE 2.98Å; G347-R422 PolarHBondContact O-NH2 2.87Å; P391-R422 PolarHBondContact O-NH2 3.44Å
423	F	98.3	Very high	94.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	161.7	-176.3	70	-82.2	0	0	0	114.7	M284 A310 L312 I330 V332 A344 T345 I410 L421 L425	M284-F423 WeakPolarHBondContact CB-O 3.36Å; M284-F423 HydrophobicContact CE-CD1 4.35Å; M284-F423 HydrophobicContact CE-CD2 4.29Å; M284-F423 HydrophobicContact CE-CE1 3.8Å; M284-F423 HydrophobicContact CE-CE2 3.73Å; M284-F423 HydrophobicContact CE-CZ 3.46Å; M284-F423 VanDerWaalsContact CE-CZ 3.46Å; M284-F423 HydrophobicContact CG-CD2 4.34Å; M284-F423 HydrophobicContact CG-CE2 4.21Å; M284-F423 HydrophobicContact SD-CE2 4.04Å; M284-F423 HydrophobicContact SD-CZ 4.24Å; A310-F423 HydrophobicContact CB-CD1 4Å; A310-F423 HydrophobicContact CB-CE1 3.71Å; A310-F423 WeakPolarHBondContact O-CD1 3.43Å; A310-F423 PolarHBondContact O-N 3.35Å; L312-F423 PolarHBondContact N-O 3Å; I330-F423 HydrophobicContact CB-CE1 4.45Å; I330-F423 HydrophobicContact CD1-CE1 3.91Å; I330-F423 HydrophobicContact CG1-CE1 3.94Å; I330-F423 HydrophobicContact CG1-CZ 4.24Å; I330-F423 HydrophobicContact CG2-CD1 4.35Å; I330-F423 HydrophobicContact CG2-CE1 3.65Å; I330-F423 HydrophobicContact CG2-CZ 4.15Å; V332-F423 HydrophobicContact CG2-CE2 3.71Å; V332-F423 HydrophobicContact CG2-CZ 3.55Å; A344-F423 CarbonylContact O-C 3.47Å; A344-F423 WeakPolarHBondContact O-CA 3.46Å; A344-F423 WeakPolarHBondContact O-CB 3.38Å; T345-F423 HydrophobicContact CG2-CB 4.33Å; I410-F423 HydrophobicContact CD1-CB 4.1Å; I410-F423 HydrophobicContact CD1-CD1 4.12Å; I410-F423 HydrophobicContact CD1-CD2 3.47Å; I410-F423 VanDerWaalsContact CD1-CD2 3.47Å; I410-F423 HydrophobicContact CD1-CE1 4.42Å; I410-F423 HydrophobicContact CD1-CE2 3.81Å; I410-F423 HydrophobicContact CD1-CG 3.64Å; I410-F423 HydrophobicContact CD1-CZ 4.27Å; L421-F423 HydrophobicContact CD2-CD1 4.17Å; L421-F423 HydrophobicContact CG-CD1 4.17Å; F423-L425 HydrophobicContact CD2-CD2 3.97Å; F423-L425 HydrophobicContact CD2-CG 4.14Å; F423-L425 HydrophobicContact CE2-CD1 4.35Å; F423-L425 HydrophobicContact CE2-CD2 4.04Å; F423-L425 HydrophobicContact CE2-CG 4.02Å
424	E	98.3	Very high	93.9	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.3	166.4	179	61.6	-89.1	0	0	109.4	A281 L282 G283 M284 E285 L312 A344	A281-E424 HydrophobicContact CB-CG 3.76Å; L282-E424 PolarHBondContact N-OE1 2.96Å; G283-E424 PolarHBondContact N-OE1 3.38Å; G283-E424 VanDerWaalsContact N-OE1 3.17Å; M284-E424 WeakPolarHBondContact CA-OE2 3.37Å; M284-E424 HydrophobicContact CB-CB 4.39Å; M284-E424 WeakPolarHBondContact CB-OE1 3.31Å; M284-E424 WeakPolarHBondContact CG-OE1 3.5Å; M284-E424 VanDerWaalsContact N-CD 3.31Å; M284-E424 PolarHBondContact N-OE1 3.24Å; M284-E424 PolarHBondContact N-OE2 2.88Å; E285-E424 PolarHBondContact N-OE2 3.19Å; L312-E424 HydrophobicContact CB-CB 3.9Å; L312-E424 HydrophobicContact CD2-CB 3.91Å; L312-E424 HydrophobicContact CG-CB 4.39Å; A344-E424 HydrophobicContact CB-CB 4.45Å; A344-E424 PolarHBondContact N-O 3Å; A344-E424 PolarHBondContact O-N 2.74Å
425	L	98.1	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.8	177.1	-59.5	178.8	0	0	0	108.7	L282 V332 L334 L340 I343 V408 F423	L282-L425 HydrophobicContact CB-CB 4.2Å; L282-L425 WeakPolarHBondContact CB-O 3.48Å; L282-L425 HydrophobicContact CD1-CB 3.97Å; L282-L425 HydrophobicContact CG-CB 4.32Å; L282-L425 WeakPolarHBondContact CG-O 3.39Å; L282-L425 PolarHBondContact N-O 3.07Å; V332-L425 HydrophobicContact CB-CD1 4.13Å; V332-L425 HydrophobicContact CG1-CD1 4.27Å; V332-L425 HydrophobicContact CG2-CD1 4.24Å; L334-L425 HydrophobicContact CD2-CD1 4.19Å; L340-L425 HydrophobicContact CD1-CB 3.89Å; L340-L425 HydrophobicContact CD1-CD2 4.25Å; L340-L425 HydrophobicContact CD1-CG 4.49Å; I343-L425 HydrophobicContact CD1-CD2 4.5Å; I343-L425 HydrophobicContact CG1-CD2 4.01Å; I343-L425 HydrophobicContact CG2-CD2 4.28Å; V408-L425 HydrophobicContact CB-CD1 4.09Å; V408-L425 HydrophobicContact CG1-CD1 4.05Å; V408-L425 HydrophobicContact CG1-CD2 3.98Å; V408-L425 HydrophobicContact CG2-CD1 4.3Å; F423-L425 HydrophobicContact CD2-CD2 3.97Å; F423-L425 HydrophobicContact CD2-CG 4.14Å; F423-L425 HydrophobicContact CE2-CD1 4.35Å; F423-L425 HydrophobicContact CE2-CD2 4.04Å; F423-L425 HydrophobicContact CE2-CG 4.02Å
426	H	97.1	Very high	93	Very high	39 Å²	39	22.9 Å²	22.9	18%	0.181	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.3	179.5	-71.2	-93	0	0	0	111	S279 S280 T341 G342	S279-H426 PolarHBondContact O-ND1 2.61Å; S280-H426 CarbonylContact O-C 3.54Å; S280-H426 WeakPolarHBondContact O-CA 3.42Å; T341-H426 PolarHBondContact N-O 2.97Å; T341-H426 PolarHBondContact OG1-O 3.38Å; G342-H426 PolarHBondContact N-O 2.77Å; G342-H426 VanDerWaalsContact N-O 3.11Å; G342-H426 PolarHBondContact O-N 3.17Å
427	G	94.9	Very high	92.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-152.9	-173.5	0	0	0	0	0	114.9	S279 S280 V339	S279-G427 PolarHBondContact N-O 3.33Å; S280-G427 PolarHBondContact N-O 3.06Å; S280-G427 VanDerWaalsContact N-O 3.1Å; S280-G427 PolarHBondContact O-N 3.04Å; V339-G427 CarbonylContact O-C 3.54Å; V339-G427 WeakPolarHBondContact O-CA 3.32Å
428	C	91.7	Very high	92.4	Very high	15 Å²	15	15.6 Å²	15.6	10%	0.101	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	166	173.4	59.6	0	0	0	0	112	F276 C278 V339	F276-C428 HydrophobicContact CE2-CB 4.2Å; F276-C428 HydrophobicContact CZ-CB 3.8Å; F276-C428 VanDerWaalsContact CZ-SG 3.6Å; C278-C428 HydrophobicContact CB-CB 3.83Å; C278-C428 WeakPolarHBondContact CB-SG 3.37Å; C278-C428 WeakPolarHBondContact SG-CB 3.45Å; C278-C428 PolarHBondContact SG-N 3.47Å; C278-C428 VanDerWaalsContact SG-N 3.37Å; C278-C428 CovalentContact SG-SG 2.04Å; C278-C428 PolarHBondContact SG-SG 3.39Å; V339-C428 PolarHBondContact N-O 3.34Å; V339-C428 PolarHBondContact O-N 3.44Å
429	Q	89.5	Confident	92.3	Very high	63 Å²	63	16.9 Å²	16.9	29%	0.294	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	148.4	159.6	-73.6	168.9	-31.9	0	0	110	T431 G432	Q429-T431 VanDerWaalsContact C-N 3.34Å; Q429-T431 PolarHBondContact O-N 3.22Å; Q429-G432 PolarHBondContact O-N 3.47Å
430	I	89.1	Confident	91.8	Very high	13 Å²	13	16.9 Å²	16.9	7%	0.067	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-58.2	-48.1	176.2	-57.6	169.6	0	0	0	110.5	L337 V339 L404 G432 A433 L438 I503 L593	L337-I430 HydrophobicContact CB-CD1 4.27Å; L337-I430 HydrophobicContact CD2-CD1 3.92Å; L337-I430 HydrophobicContact CG-CD1 4.11Å; V339-I430 HydrophobicContact CG2-CG1 4.17Å; L404-I430 HydrophobicContact CD2-CD1 3.81Å; L404-I430 HydrophobicContact CD2-CG1 3.75Å; I430-G432 PolarHBondContact O-N 3.39Å; I430-A433 PolarHBondContact O-N 3.36Å; I430-L438 HydrophobicContact CD1-CD2 4.49Å; I430-L438 HydrophobicContact CG2-CD2 4.2Å; I430-I503 HydrophobicContact CD1-CD1 3.98Å; I430-I503 HydrophobicContact CG2-CD1 4.11Å; I430-L593 HydrophobicContact CG2-CD1 3.97Å; I430-L593 HydrophobicContact CG2-CD2 4.04Å
431	T	86.5	Confident	91.4	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.018	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-70.2	-7.6	-178.8	58.8	0	0	0	0	113.7	S242 K270 Q429 A433 L438	S242-T431 WeakPolarHBondContact CB-OG1 3.39Å; S242-T431 PolarHBondContact OG-OG1 2.69Å; K270-T431 WeakPolarHBondContact CE-O 3.47Å; K270-T431 PolarHBondContact NZ-OG1 2.76Å; Q429-T431 VanDerWaalsContact C-N 3.34Å; Q429-T431 PolarHBondContact O-N 3.22Å; T431-A433 VanDerWaalsContact C-N 3.26Å; T431-A433 PolarHBondContact O-N 3.03Å; T431-L438 HydrophobicContact CG2-CG 3.98Å
432	G	82.8	Confident	91	Very high	14 Å²	14	17.3 Å²	17.3	14%	0.144	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-71.1	-20.2	176.5	0	0	0	0	0	113.8	F276 Q429 I430	F276-G432 WeakPolarHBondContact CD2-O 3.31Å; F276-G432 WeakPolarHBondContact CE2-O 3.3Å; Q429-G432 PolarHBondContact O-N 3.47Å; I430-G432 PolarHBondContact O-N 3.39Å
433	A	84.3	Confident	90.4	Very high	16 Å²	16	16 Å²	16	13%	0.132	9%	0.092	C	C	.	.	S	Bend	trans	-79.1	142.7	174	0	0	0	0	0	110.8	F276 I430 T431 C435 S436	F276-A433 HydrophobicContact CD1-CB 4.03Å; F276-A433 HydrophobicContact CE1-CB 3.65Å; F276-A433 HydrophobicContact CZ-CB 4.14Å; I430-A433 PolarHBondContact O-N 3.36Å; T431-A433 VanDerWaalsContact C-N 3.26Å; T431-A433 PolarHBondContact O-N 3.03Å; A433-C435 PolarHBondContact O-N 2.78Å; A433-S436 WeakPolarHBondContact CB-OG 3.5Å; A433-S436 VanDerWaalsContact O-CB 3.29Å; A433-S436 WeakPolarHBondContact O-CB 3.38Å; A433-S436 PolarHBondContact O-N 2.75Å; A433-S436 PolarHBondContact O-OG 3.37Å
434	P	84.5	Confident	89.8	Confident	55 Å²	55	16.1 Å²	16.1	36%	0.357	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	140.4	178.9	23.1	-33.2	0	0	0	111.6	V272 S436 R500	V272-P434 HydrophobicContact CG1-CB 4.43Å; P434-S436 VanDerWaalsContact C-N 3.26Å; P434-S436 PolarHBondContact O-N 3.11Å; P434-S436 PolarHBondContact O-OG 2.94Å; P434-S436 VanDerWaalsContact O-OG 3.04Å; P434-R500 VanDerWaalsContact O-CD 3.28Å; P434-R500 WeakPolarHBondContact O-CD 3.07Å; P434-R500 PolarHBondContact O-NE 2.76Å; P434-R500 PolarHBondContact O-NH1 3.03Å
435	C	87.6	Confident	89	Confident	20 Å²	20	20.2 Å²	20.2	14%	0.135	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	43.4	-176.8	-161.1	0	0	0	0	114.2	A433 R500 G594 C595	A433-C435 PolarHBondContact O-N 2.78Å; C435-R500 VanDerWaalsContact O-CB 3.32Å; C435-R500 WeakPolarHBondContact O-CB 3.28Å; C435-R500 WeakPolarHBondContact O-CD 3.42Å; C435-G594 CarbonylContact C-O 3.56Å; C435-G594 VanDerWaalsContact C-O 3.29Å; C435-G594 CarbonylContact O-C 3.5Å; C435-G594 WeakPolarHBondContact O-CA 3.42Å; C435-G594 VanDerWaalsContact SG-C 3.58Å; C435-C595 HydrophobicContact CB-CB 3.89Å; C435-C595 WeakPolarHBondContact CB-SG 3.41Å; C435-C595 WeakPolarHBondContact SG-CB 3.44Å; C435-C595 PolarHBondContact SG-N 2.66Å; C435-C595 CovalentContact SG-SG 2.05Å; C435-C595 PolarHBondContact SG-SG 3.49Å
436	S	89.7	Confident	88.5	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.007	12%	0.117	C	C	.	.			trans	-127.5	31.7	-177.6	-55	0	0	0	0	112.6	A433 P434 G594	A433-S436 WeakPolarHBondContact CB-OG 3.5Å; A433-S436 VanDerWaalsContact O-CB 3.29Å; A433-S436 WeakPolarHBondContact O-CB 3.38Å; A433-S436 PolarHBondContact O-N 2.75Å; A433-S436 PolarHBondContact O-OG 3.37Å; P434-S436 VanDerWaalsContact C-N 3.26Å; P434-S436 PolarHBondContact O-N 3.11Å; P434-S436 PolarHBondContact O-OG 2.94Å; P434-S436 VanDerWaalsContact O-OG 3.04Å; S436-G594 PolarHBondContact N-O 3.02Å
437	D	90	Very high	88	Confident	27 Å²	27	21.7 Å²	21.7	14%	0.144	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	143.4	177.3	-62.8	-57.6	0	0	0	111.1	H185 Q439 G594	H185-D437 IonicContact CE1-OD2 3.61Å; H185-D437 PolarHBondContact CE1-OD2 3.26Å; H185-D437 IonicContact ND1-OD2 2.68Å; H185-D437 PolarHBondContact ND1-OD2 3.35Å; D437-Q439 PolarHBondContact O-N 3.01Å; D437-Q439 PolarHBondContact O-NE2 3.04Å; D437-G594 WeakPolarHBondContact CB-O 3.36Å; D437-G594 PolarHBondContact N-O 2.77Å; D437-G594 PolarHBondContact O-N 2.97Å; D437-G594 VanDerWaalsContact O-N 3.15Å
438	L	91.2	Very high	87.6	Confident	26 Å²	26	24 Å²	24	14%	0.136	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.9	179.1	-51.3	176.7	0	0	0	109.4	I430 T431 G440 M442 E591 L593	I430-L438 HydrophobicContact CD1-CD2 4.49Å; I430-L438 HydrophobicContact CG2-CD2 4.2Å; T431-L438 HydrophobicContact CG2-CG 3.98Å; L438-G440 PolarHBondContact O-N 3.18Å; L438-M442 HydrophobicContact CD1-SD 4.37Å; L438-E591 HydrophobicContact CB-CG 4.37Å; L438-E591 HydrophobicContact CD2-CG 4.05Å; L438-L593 HydrophobicContact CD2-CD2 3.65Å
439	Q	92.1	Very high	87.4	Confident	29 Å²	29	28.1 Å²	28.1	14%	0.136	18%	0.176	C	C	.	.			trans	-86.2	14.9	-175.7	-57.9	-58.4	-70.4	0	0	114.4	D437 L493 E591 I592 G594	D437-Q439 PolarHBondContact O-N 3.01Å; D437-Q439 PolarHBondContact O-NE2 3.04Å; Q439-L493 HydrophobicContact CB-CD2 3.82Å; Q439-L493 HydrophobicContact CG-CD2 4.27Å; Q439-E591 PolarHBondContact N-OE1 3.46Å; Q439-I592 HydrophobicContact CB-CB 4.17Å; Q439-I592 HydrophobicContact CG-CB 4.22Å; Q439-I592 HydrophobicContact CG-CG2 4.2Å; Q439-I592 WeakPolarHBondContact CG-O 3.49Å; Q439-I592 PolarHBondContact N-O 3.1Å; Q439-G594 PolarHBondContact NE2-O 2.97Å
440	G	88.1	Confident	87.6	Confident	2 Å²	2	27.7 Å²	27.7	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	101.6	8	163.1	0	0	0	0	0	116.3	L438 G444 L445 L446 R467	L438-G440 PolarHBondContact O-N 3.18Å; G440-G444 CarbonylContact O-C 3.55Å; G440-G444 PolarHBondContact O-N 3.2Å; G440-L445 PolarHBondContact O-N 2.95Å; G440-L445 VanDerWaalsContact O-N 3.16Å; G440-L446 WeakPolarHBondContact O-CB 3.46Å; G440-L446 PolarHBondContact O-N 2.9Å; G440-R467 PolarHBondContact O-NH1 2.85Å
441	L	89.6	Confident	87.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-47.3	173.3	-74.5	152.6	0	0	0	110.8	L446 I451 R467 V491 V590 E591 I592	L441-L446 HydrophobicContact CD2-CD2 3.95Å; L441-L446 HydrophobicContact CG-CD1 4.41Å; L441-L446 HydrophobicContact CG-CD2 4.38Å; L441-I451 HydrophobicContact CD2-CD1 3.53Å; L441-I451 HydrophobicContact CD2-CG1 3.77Å; L441-R467 WeakPolarHBondContact O-CB 3.29Å; L441-R467 VanDerWaalsContact O-CD 3.29Å; L441-R467 WeakPolarHBondContact O-CD 3.49Å; L441-R467 WeakPolarHBondContact O-CG 3.3Å; L441-R467 PolarHBondContact O-NH1 3.49Å; L441-V491 HydrophobicContact CD1-CG1 4Å; L441-V491 HydrophobicContact CD1-CG2 3.86Å; L441-V491 HydrophobicContact CG-CG1 4.5Å; L441-V590 HydrophobicContact CD1-CG1 4.29Å; L441-E591 WeakPolarHBondContact CB-OE1 3.3Å; L441-E591 PolarHBondContact N-OE1 3.01Å; L441-E591 PolarHBondContact N-OE2 2.95Å; L441-I592 HydrophobicContact CD1-CG1 3.95Å
442	M	89.8	Confident	88.2	Confident	9 Å²	9	29.1 Å²	29.1	4%	0.044	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-36.4	-179.4	-179.5	171	156.9	0	0	112.9	S224 P225 L337 L438 L468 E591	S224-M442 WeakPolarHBondContact CA-O 3.23Å; S224-M442 VanDerWaalsContact CB-O 3.3Å; S224-M442 WeakPolarHBondContact CB-O 3.34Å; P225-M442 HydrophobicContact CG-CE 4.13Å; P225-M442 HydrophobicContact CG-CG 4.34Å; L337-M442 HydrophobicContact CB-CE 4.15Å; L438-M442 HydrophobicContact CD1-SD 4.37Å; M442-L468 HydrophobicContact CB-CB 4.33Å; M442-L468 HydrophobicContact SD-CD2 3.97Å; M442-L468 HydrophobicContact SD-CG 4.32Å; M442-E591 WeakPolarHBondContact CB-OE2 3.22Å; M442-E591 PolarHBondContact N-OE2 2.81Å
443	S	85.7	Confident	88.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.6	-178.8	60.9	0	0	0	0	114.5	G219 L220 S243 L445	G219-S443 CarbonylContact C-O 3.44Å; G219-S443 WeakPolarHBondContact CA-O 3.31Å; L220-S443 PolarHBondContact N-O 3.46Å; S243-S443 PolarHBondContact O-OG 3.02Å; S443-L445 PolarHBondContact O-N 3.18Å
444	G	84.3	Confident	89.2	Confident	4 Å²	4	31 Å²	31	4%	0.041	19%	0.193	C	C	.	.	S	Bend	trans	80.1	-10.2	-177.9	0	0	0	0	0	115.2	L220 G440 L446	L220-G444 WeakPolarHBondContact CD1-O 3.46Å; G440-G444 CarbonylContact O-C 3.55Å; G440-G444 PolarHBondContact O-N 3.2Å; G444-L446 PolarHBondContact O-N 3.48Å
445	L	83.4	Confident	89.6	Confident	88 Å²	88	29.6 Å²	29.6	46%	0.461	18%	0.184	S	C	.	.			trans	-58.7	-30.6	-179.3	-76.6	174.9	0	0	0	113.7	L245 G440 S443 P447	L245-L445 HydrophobicContact CB-CD1 4.02Å; L245-L445 HydrophobicContact CB-CD2 4.07Å; L245-L445 HydrophobicContact CB-CG 4.03Å; L245-L445 HydrophobicContact CD2-CD2 3.8Å; L245-L445 HydrophobicContact CD2-CG 4.08Å; L245-L445 HydrophobicContact CG-CD2 4.49Å; G440-L445 PolarHBondContact O-N 2.95Å; G440-L445 VanDerWaalsContact O-N 3.16Å; S443-L445 PolarHBondContact O-N 3.18Å; L445-P447 WeakPolarHBondContact O-CD 3.16Å
446	L	86.4	Confident	89.5	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.037	19%	0.19	C	C	.	.	S	Bend	trans	-85.5	111.9	169.7	-171.8	150.6	0	0	0	108.1	G440 L441 G444 Q450 I451 R467 V491 L493	G440-L446 WeakPolarHBondContact O-CB 3.46Å; G440-L446 PolarHBondContact O-N 2.9Å; L441-L446 HydrophobicContact CD2-CD2 3.95Å; L441-L446 HydrophobicContact CG-CD1 4.41Å; L441-L446 HydrophobicContact CG-CD2 4.38Å; G444-L446 PolarHBondContact O-N 3.48Å; L446-Q450 HydrophobicContact CD2-CB 3.64Å; L446-Q450 HydrophobicContact CG-CB 4.12Å; L446-I451 HydrophobicContact CD2-CD1 4.26Å; L446-I451 HydrophobicContact CD2-CG1 3.65Å; L446-R467 VanDerWaalsContact O-CZ 3.29Å; L446-R467 PolarHBondContact O-NH1 3.13Å; L446-R467 PolarHBondContact O-NH2 3.24Å; L446-V491 HydrophobicContact CD1-CG1 3.53Å; L446-V491 HydrophobicContact CD2-CG1 4.29Å; L446-L493 HydrophobicContact CD1-CD2 4.12Å
447	P	86.7	Confident	89.1	Confident	63 Å²	63	35.7 Å²	35.7	41%	0.409	21%	0.21	S	C	.	.			trans	-66.8	155.6	-173.3	-21.5	34.1	0	0	0	113.8	L445 A449 Q450	L445-P447 WeakPolarHBondContact O-CD 3.16Å; P447-A449 PolarHBondContact O-N 3.15Å; P447-A449 VanDerWaalsContact O-N 3.1Å; P447-Q450 WeakPolarHBondContact O-CB 3.48Å; P447-Q450 PolarHBondContact O-N 2.74Å
448	D	86.9	Confident	88.2	Confident	50 Å²	50	37.1 Å²	37.1	27%	0.267	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-55.4	-31.3	179.2	-88.7	25.5	0	0	0	113.5	Q450 I451 N462 P463 S464 R467	D448-Q450 PolarHBondContact O-N 3.04Å; D448-I451 PolarHBondContact O-N 2.72Å; D448-I451 VanDerWaalsContact O-N 3.1Å; D448-N462 PolarHBondContact OD2-OD1 2.88Å; D448-P463 HydrophobicContact CB-CB 3.95Å; D448-P463 HydrophobicContact CB-CG 4.06Å; D448-P463 WeakPolarHBondContact O-CB 3.15Å; D448-S464 VanDerWaalsContact CG-N 3.33Å; D448-S464 WeakPolarHBondContact OD1-CA 3.34Å; D448-S464 WeakPolarHBondContact OD1-CB 3.38Å; D448-S464 PolarHBondContact OD1-N 3.01Å; D448-S464 WeakPolarHBondContact OD2-CB 3Å; D448-S464 PolarHBondContact OD2-N 2.82Å; D448-R467 IonicContact OD1-CZ 3.67Å; D448-R467 IonicContact OD1-NE 3.63Å; D448-R467 PolarHBondContact OD1-NE 2.84Å; D448-R467 IonicContact OD1-NH2 3.37Å; D448-R467 PolarHBondContact OD1-NH2 2.72Å
449	A	87.3	Confident	87	Confident	101 Å²	101	45.2 Å²	45.2	84%	0.835	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-64.6	-20.3	176.5	0	0	0	0	0	114.3	P447 I451	P447-A449 PolarHBondContact O-N 3.15Å; P447-A449 VanDerWaalsContact O-N 3.1Å; A449-I451 VanDerWaalsContact C-N 3.34Å
450	Q	92.8	Very high	85.9	Confident	53 Å²	53	52.3 Å²	52.3	25%	0.248	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-88.5	-0.2	176.1	-81.1	172.6	-124.5	0	0	113.1	L446 P447 D448 D492	L446-Q450 HydrophobicContact CD2-CB 3.64Å; L446-Q450 HydrophobicContact CG-CB 4.12Å; P447-Q450 WeakPolarHBondContact O-CB 3.48Å; P447-Q450 PolarHBondContact O-N 2.74Å; D448-Q450 PolarHBondContact O-N 3.04Å; Q450-D492 HydrophobicContact CB-CB 4.19Å; Q450-D492 WeakPolarHBondContact CB-O 3.36Å; Q450-D492 HydrophobicContact CG-CB 4.18Å; Q450-D492 PolarHBondContact NE2-O 2.97Å; Q450-D492 PolarHBondContact O-N 3.33Å
451	I	93.9	Very high	85.5	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.036	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.9	178.7	-53.1	173.7	0	0	0	108.7	L441 L446 D448 A449 P463 A466 R467	L441-I451 HydrophobicContact CD2-CD1 3.53Å; L441-I451 HydrophobicContact CD2-CG1 3.77Å; L446-I451 HydrophobicContact CD2-CD1 4.26Å; L446-I451 HydrophobicContact CD2-CG1 3.65Å; D448-I451 PolarHBondContact O-N 2.72Å; D448-I451 VanDerWaalsContact O-N 3.1Å; A449-I451 VanDerWaalsContact C-N 3.34Å; I451-P463 HydrophobicContact CB-CB 3.79Å; I451-P463 HydrophobicContact CD1-CB 4.41Å; I451-P463 HydrophobicContact CG2-CB 4.03Å; I451-A466 HydrophobicContact CG2-CB 3.91Å; I451-R467 HydrophobicContact CD1-CG 4.37Å
452	S	94.2	Very high	85.3	Confident	40 Å²	40	58.6 Å²	58.6	28%	0.28	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.8	-178.8	46.4	0	0	0	0	112.1	Q490	S452-Q490 PolarHBondContact N-O 3.4Å; S452-Q490 WeakPolarHBondContact O-CA 3.34Å; S452-Q490 PolarHBondContact O-N 2.78Å; S452-Q490 VanDerWaalsContact O-O 3.14Å; S452-Q490 WeakPolarHBondContact OG-CB 3Å; S452-Q490 PolarHBondContact OG-NE2 3.32Å
453	V	94.9	Very high	85.1	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.158	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.3	-174.7	-65.2	0	0	0	0	110.7	S455 W461 W475 W488 L489	V453-S455 VanDerWaalsContact C-N 3.35Å; V453-S455 WeakPolarHBondContact CG2-O 3.3Å; V453-W461 HydrophobicContact CG1-CZ2 3.83Å; V453-W461 HydrophobicContact CG2-CD2 4.28Å; V453-W461 HydrophobicContact CG2-CG 4.46Å; V453-W461 HydrophobicContact CG2-CZ2 4.41Å; V453-W475 HydrophobicContact CG1-CD2 4.15Å; V453-W475 HydrophobicContact CG1-CG 3.91Å; V453-W488 WeakPolarHBondContact CA-O 3.46Å; V453-L489 HydrophobicContact CG1-CB 4.45Å; V453-L489 HydrophobicContact CG1-CG 4.14Å
454	S	94.6	Very high	85.1	Confident	42 Å²	42	60.9 Å²	60.9	29%	0.294	34%	0.338	S	S	.	.	S	Bend	trans	-61	-42	174	47	0	0	0	0	113	E487 W488	S454-E487 WeakPolarHBondContact CB-OE2 3.41Å; S454-E487 VanDerWaalsContact OG-CA 3.29Å; S454-E487 WeakPolarHBondContact OG-CA 2.99Å; S454-E487 PolarHBondContact OG-OE2 2.79Å; S454-W488 PolarHBondContact N-O 3.38Å; S454-W488 PolarHBondContact OG-N 3.45Å; S454-W488 PolarHBondContact OG-O 3.36Å
455	S	91.7	Very high	85.3	Confident	26 Å²	26	61.8 Å²	61.8	18%	0.182	34%	0.343	C	S	.	.			trans	-158	164.9	178.6	75.1	0	0	0	0	110.6	V453 W475 P477 A478 E487	V453-S455 VanDerWaalsContact C-N 3.35Å; V453-S455 WeakPolarHBondContact CG2-O 3.3Å; S455-W475 PolarHBondContact O-NE1 3.14Å; S455-P477 WeakPolarHBondContact OG-CA 3.4Å; S455-P477 WeakPolarHBondContact OG-CB 3.36Å; S455-A478 PolarHBondContact OG-N 2.84Å; S455-E487 WeakPolarHBondContact CB-OE2 3.43Å; S455-E487 VanDerWaalsContact OG-CD 3.27Å; S455-E487 PolarHBondContact OG-OE1 2.85Å; S455-E487 PolarHBondContact OG-OE2 3.08Å
456	S	87	Confident	85.6	Confident	38 Å²	38	57.6 Å²	57.6	27%	0.266	32%	0.321	S	S	.	.			trans	-138.6	139.9	175	58.3	0	0	0	0	110.7	D458 F476 A478	S456-D458 VanDerWaalsContact C-N 3.33Å; S456-D458 PolarHBondContact OG-O 2.82Å; S456-F476 CarbonylContact C-O 3.58Å; S456-F476 WeakPolarHBondContact CA-O 3.16Å; S456-A478 WeakPolarHBondContact O-CB 3.32Å
457	R	80	Confident	85.9	Confident	111 Å²	111	57.5 Å²	57.5	42%	0.419	32%	0.32	S	S	.	.	S	Bend	trans	-68.3	-34.9	173.1	-171.7	-167.4	62.2	-137.1	-17	112.4	F476	R457-F476 HydrophobicContact CB-CB 4.21Å; R457-F476 PolarHBondContact N-O 2.91Å
458	D	72.3	Confident	86.1	Confident	57 Å²	57	54.5 Å²	54.5	31%	0.305	30%	0.3	S	S	.	.	S	Bend	trans	-91	129.1	-170.4	-49.5	-33.5	0	0	0	109.2	S456 M460 W461	S456-D458 VanDerWaalsContact C-N 3.33Å; S456-D458 PolarHBondContact OG-O 2.82Å; D458-M460 PolarHBondContact O-N 2.82Å; D458-W461 PolarHBondContact O-N 3.25Å
459	M	65.1	Low	86.1	Confident	196 Å²	196	53 Å²	53	97%	0.966	29%	0.293	S	S	*	.	S	Bend	trans	-69.5	-16.9	-166.5	-172.4	158.9	60.8	0	0	114.3
460	M	70.3	Confident	85.4	Confident	178 Å²	178	49.7 Å²	49.7	88%	0.877	27%	0.266	S	S	*	.	S	Bend	trans	-121.1	96.7	159.2	-65.3	-150	-63	0	0	108.3	D458 N462	D458-M460 PolarHBondContact O-N 2.82Å; M460-N462 PolarHBondContact O-N 3.35Å
461	W	79.2	Confident	84.8	Confident	55 Å²	55	48 Å²	48	21%	0.208	26%	0.26	C	S	.	.			trans	-63.1	127	176.1	170.5	-116.2	0	0	0	110.7	V453 D458 T465 A466 W475	V453-W461 HydrophobicContact CG1-CZ2 3.83Å; V453-W461 HydrophobicContact CG2-CD2 4.28Å; V453-W461 HydrophobicContact CG2-CG 4.46Å; V453-W461 HydrophobicContact CG2-CZ2 4.41Å; D458-W461 PolarHBondContact O-N 3.25Å; W461-T465 WeakPolarHBondContact CH2-OG1 3.49Å; W461-T465 WeakPolarHBondContact CZ3-OG1 3.37Å; W461-A466 HydrophobicContact CH2-CB 4.38Å; W461-A466 HydrophobicContact CZ2-CB 4.31Å; W461-W475 HydrophobicContact CH2-CB 3.68Å; W461-W475 AromaticContact CH2-CD1 3.84Å; W461-W475 HydrophobicContact CH2-CG 4.13Å; W461-W475 HydrophobicContact CZ2-CB 4.5Å; W461-W475 HydrophobicContact CZ3-CB 4.28Å; W461-W475 AromaticContact CZ3-CD1 3.99Å
462	N	84.7	Confident	83.8	Confident	80 Å²	80	57.5 Å²	57.5	43%	0.428	30%	0.295	S	S	.	.			trans	-106.8	107.5	173	-178.6	-13.9	0	0	0	108.9	D448 M460 S464 T465	D448-N462 PolarHBondContact OD2-OD1 2.88Å; M460-N462 PolarHBondContact O-N 3.35Å; N462-S464 VanDerWaalsContact C-N 3.26Å; N462-S464 VanDerWaalsContact CG-OG 3.28Å; N462-S464 PolarHBondContact ND2-OG 2.85Å; N462-S464 PolarHBondContact O-N 3.34Å; N462-S464 WeakPolarHBondContact OD1-CB 3.38Å; N462-S464 PolarHBondContact OD1-N 2.8Å; N462-S464 PolarHBondContact OD1-OG 3.21Å; N462-T465 HydrophobicContact CB-CG2 4.14Å; N462-T465 WeakPolarHBondContact O-CB 3.37Å; N462-T465 WeakPolarHBondContact O-CG2 3.47Å; N462-T465 PolarHBondContact O-N 2.86Å; N462-T465 PolarHBondContact O-OG1 3.19Å
463	P	86.5	Confident	83.4	Confident	25 Å²	25	57.1 Å²	57.1	16%	0.162	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-64	-27.6	-173.3	-17.4	29.1	0	0	0	114.1	D448 I451 T465 A466	D448-P463 HydrophobicContact CB-CB 3.95Å; D448-P463 HydrophobicContact CB-CG 4.06Å; D448-P463 WeakPolarHBondContact O-CB 3.15Å; I451-P463 HydrophobicContact CB-CB 3.79Å; I451-P463 HydrophobicContact CD1-CB 4.41Å; I451-P463 HydrophobicContact CG2-CB 4.03Å; P463-T465 PolarHBondContact O-N 2.96Å; P463-A466 WeakPolarHBondContact O-CB 3.27Å; P463-A466 PolarHBondContact O-N 2.93Å
464	S	84.7	Confident	83.1	Confident	32 Å²	32	55.9 Å²	55.9	22%	0.224	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-56.1	-21.8	172.4	69.3	0	0	0	0	113.6	D448 N462 A466 R467	D448-S464 VanDerWaalsContact CG-N 3.33Å; D448-S464 WeakPolarHBondContact OD1-CA 3.34Å; D448-S464 WeakPolarHBondContact OD1-CB 3.38Å; D448-S464 PolarHBondContact OD1-N 3.01Å; D448-S464 WeakPolarHBondContact OD2-CB 3Å; D448-S464 PolarHBondContact OD2-N 2.82Å; N462-S464 VanDerWaalsContact C-N 3.26Å; N462-S464 VanDerWaalsContact CG-OG 3.28Å; N462-S464 PolarHBondContact ND2-OG 2.85Å; N462-S464 PolarHBondContact O-N 3.34Å; N462-S464 WeakPolarHBondContact OD1-CB 3.38Å; N462-S464 PolarHBondContact OD1-N 2.8Å; N462-S464 PolarHBondContact OD1-OG 3.21Å; S464-A466 PolarHBondContact O-N 3.41Å; S464-R467 WeakPolarHBondContact O-CB 3.46Å; S464-R467 VanDerWaalsContact O-CG 3.26Å; S464-R467 WeakPolarHBondContact O-CG 3.41Å; S464-R467 PolarHBondContact O-N 2.85Å
465	T	87.8	Confident	83	Confident	22 Å²	22	53.9 Å²	53.9	14%	0.135	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.6	-22.2	175.7	63.7	0	0	0	0	113.5	W461 N462 P463 R467 S471 G474 R589	W461-T465 WeakPolarHBondContact CH2-OG1 3.49Å; W461-T465 WeakPolarHBondContact CZ3-OG1 3.37Å; N462-T465 HydrophobicContact CB-CG2 4.14Å; N462-T465 WeakPolarHBondContact O-CB 3.37Å; N462-T465 WeakPolarHBondContact O-CG2 3.47Å; N462-T465 PolarHBondContact O-N 2.86Å; N462-T465 PolarHBondContact O-OG1 3.19Å; P463-T465 PolarHBondContact O-N 2.96Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.95Å; T465-S471 WeakPolarHBondContact CA-OG 3.46Å; T465-S471 VanDerWaalsContact O-CB 3.28Å; T465-S471 WeakPolarHBondContact O-CB 3Å; T465-S471 PolarHBondContact O-OG 2.96Å; T465-G474 WeakPolarHBondContact O-CA 3.4Å; T465-R589 WeakPolarHBondContact O-CG 3.49Å
466	A	91.4	Very high	83	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-75.4	-9.1	176.2	0	0	0	0	0	114.3	I451 W461 P463 S464 L489 R589 V590	I451-A466 HydrophobicContact CG2-CB 3.91Å; W461-A466 HydrophobicContact CH2-CB 4.38Å; W461-A466 HydrophobicContact CZ2-CB 4.31Å; P463-A466 WeakPolarHBondContact O-CB 3.27Å; P463-A466 PolarHBondContact O-N 2.93Å; S464-A466 PolarHBondContact O-N 3.41Å; A466-L489 HydrophobicContact CB-CD1 4.11Å; A466-R589 CarbonylContact O-C 3.6Å; A466-R589 VanDerWaalsContact O-CA 3.24Å; A466-R589 WeakPolarHBondContact O-CA 3.31Å; A466-V590 PolarHBondContact O-N 3.44Å
467	R	91.8	Very high	83.2	Confident	5 Å²	5	51.5 Å²	51.5	2%	0.019	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-72.1	133.9	-172.3	-63.3	175.7	-179.4	-76.9	-0.7	112.5	G440 L441 L446 D448 I451 S464 T465 V469 R589	G440-R467 PolarHBondContact O-NH1 2.85Å; L441-R467 WeakPolarHBondContact O-CB 3.29Å; L441-R467 VanDerWaalsContact O-CD 3.29Å; L441-R467 WeakPolarHBondContact O-CD 3.49Å; L441-R467 WeakPolarHBondContact O-CG 3.3Å; L441-R467 PolarHBondContact O-NH1 3.49Å; L446-R467 VanDerWaalsContact O-CZ 3.29Å; L446-R467 PolarHBondContact O-NH1 3.13Å; L446-R467 PolarHBondContact O-NH2 3.24Å; D448-R467 IonicContact OD1-CZ 3.67Å; D448-R467 IonicContact OD1-NE 3.63Å; D448-R467 PolarHBondContact OD1-NE 2.84Å; D448-R467 IonicContact OD1-NH2 3.37Å; D448-R467 PolarHBondContact OD1-NH2 2.72Å; I451-R467 HydrophobicContact CD1-CG 4.37Å; S464-R467 WeakPolarHBondContact O-CB 3.46Å; S464-R467 VanDerWaalsContact O-CG 3.26Å; S464-R467 WeakPolarHBondContact O-CG 3.41Å; S464-R467 PolarHBondContact O-N 2.85Å; T465-R467 VanDerWaalsContact C-N 3.27Å; T465-R467 PolarHBondContact O-N 2.95Å; R467-V469 PolarHBondContact O-N 2.88Å; R467-R589 WeakPolarHBondContact O-CD 3.39Å; R467-R589 WeakPolarHBondContact O-CG 3.36Å
468	L	91.6	Very high	83.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	131.3	174.5	176	66.9	0	0	0	111.9	L337 M442 A470 I503 Q505 P561 V590 E591	L337-L468 HydrophobicContact CD2-CD2 4.16Å; M442-L468 HydrophobicContact CB-CB 4.33Å; M442-L468 HydrophobicContact SD-CD2 3.97Å; M442-L468 HydrophobicContact SD-CG 4.32Å; L468-A470 PolarHBondContact O-N 2.87Å; L468-I503 HydrophobicContact CD1-CG2 3.84Å; L468-I503 HydrophobicContact CD2-CB 4.06Å; L468-I503 HydrophobicContact CD2-CD1 4.06Å; L468-I503 HydrophobicContact CD2-CG2 3.78Å; L468-Q505 HydrophobicContact CD1-CB 3.82Å; L468-Q505 HydrophobicContact CD1-CG 4.36Å; L468-P561 HydrophobicContact CD1-CB 3.89Å; L468-P561 HydrophobicContact CD1-CG 4.41Å; L468-V590 PolarHBondContact N-O 2.99Å; L468-E591 HydrophobicContact CB-CB 3.83Å; L468-E591 HydrophobicContact CD2-CB 3.46Å; L468-E591 VanDerWaalsContact CD2-CB 3.46Å; L468-E591 HydrophobicContact CD2-CG 4.24Å; L468-E591 HydrophobicContact CG-CB 4.24Å
469	V	87.2	Confident	84	Confident	19 Å²	19	48.5 Å²	48.5	12%	0.115	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-52.7	-179.9	178.2	0	0	0	0	115.3	P225 L337 T368 R467 S471	P225-V469 HydrophobicContact CB-CG1 4.29Å; P225-V469 HydrophobicContact CG-CB 4.24Å; P225-V469 HydrophobicContact CG-CG1 3.87Å; L337-V469 HydrophobicContact CD2-CG2 4.22Å; T368-V469 HydrophobicContact CG2-CG2 3.91Å; R467-V469 PolarHBondContact O-N 2.88Å; V469-S471 VanDerWaalsContact C-N 3.31Å; V469-S471 PolarHBondContact O-N 3.04Å
470	A	72.9	Confident	84.3	Confident	31 Å²	31	43 Å²	43	26%	0.256	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.2	-170.9	0	0	0	0	0	113.9	A223 P225 L468	A223-A470 VanDerWaalsContact O-CB 3.25Å; A223-A470 WeakPolarHBondContact O-CB 3.17Å; P225-A470 HydrophobicContact CG-CB 4.25Å; L468-A470 PolarHBondContact O-N 2.87Å
471	S	78.8	Confident	84.7	Confident	18 Å²	18	40 Å²	40	13%	0.126	23%	0.225	C	C	.	.			trans	-76.9	131.3	177.3	-173	0	0	0	0	112.6	T465 V469 S473 R589	T465-S471 WeakPolarHBondContact CA-OG 3.46Å; T465-S471 VanDerWaalsContact O-CB 3.28Å; T465-S471 WeakPolarHBondContact O-CB 3Å; T465-S471 PolarHBondContact O-OG 2.96Å; V469-S471 VanDerWaalsContact C-N 3.31Å; V469-S471 PolarHBondContact O-N 3.04Å; S471-S473 PolarHBondContact O-N 2.88Å; S471-S473 PolarHBondContact OG-N 2.66Å; S471-R589 PolarHBondContact O-NH1 3Å
472	R	73.2	Confident	85	Confident	207 Å²	207	38 Å²	38	78%	0.781	22%	0.22	S	C	*	.	S	Bend	trans	-68.7	-4.7	166.8	-62.1	-176.6	-179.7	-102.8	2.8	114	E371	E371-R472 IonicContact OE1-NH1 3.65Å
473	S	85.4	Confident	85.3	Confident	31 Å²	31	39.7 Å²	39.7	22%	0.217	23%	0.228	C	C	.	.	S	Bend	trans	-127.3	-131.6	-175.5	-172.9	0	0	0	0	111.2	S471 R589	S471-S473 PolarHBondContact O-N 2.88Å; S471-S473 PolarHBondContact OG-N 2.66Å; S473-R589 VanDerWaalsContact O-CD 3.29Å; S473-R589 WeakPolarHBondContact O-CD 3.39Å; S473-R589 PolarHBondContact O-NE 3.27Å
474	G	88.8	Confident	85.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.243	C	C	.	.			trans	172.2	174	175.9	0	0	0	0	0	112.2	T465 F476	T465-G474 WeakPolarHBondContact O-CA 3.4Å; G474-F476 WeakPolarHBondContact O-CD2 3.26Å; G474-F476 PolarHBondContact O-N 3.04Å
475	W	92.6	Very high	85.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-68	127	166.3	171.9	51.4	0	0	0	111.1	V453 S455 W461 P477 E487 W488 L489 P578 I586 G587 M588	V453-W475 HydrophobicContact CG1-CD2 4.15Å; V453-W475 HydrophobicContact CG1-CG 3.91Å; S455-W475 PolarHBondContact O-NE1 3.14Å; W461-W475 HydrophobicContact CH2-CB 3.68Å; W461-W475 AromaticContact CH2-CD1 3.84Å; W461-W475 HydrophobicContact CH2-CG 4.13Å; W461-W475 HydrophobicContact CZ2-CB 4.5Å; W461-W475 HydrophobicContact CZ3-CB 4.28Å; W461-W475 AromaticContact CZ3-CD1 3.99Å; W475-P477 HydrophobicContact CZ2-CB 3.94Å; W475-P477 HydrophobicContact CZ2-CG 4.39Å; W475-E487 HydrophobicContact CH2-CB 3.85Å; W475-E487 HydrophobicContact CZ2-CB 4.07Å; W475-W488 VanDerWaalsContact CH2-C 3.44Å; W475-L489 HydrophobicContact CB-CD1 4.05Å; W475-L489 HydrophobicContact CD2-CB 4.27Å; W475-L489 HydrophobicContact CD2-CD1 4.28Å; W475-L489 HydrophobicContact CE3-CB 3.72Å; W475-L489 HydrophobicContact CE3-CD1 3.88Å; W475-L489 HydrophobicContact CE3-CG 4.31Å; W475-L489 HydrophobicContact CG-CD1 4.38Å; W475-L489 HydrophobicContact CH2-CB 4.42Å; W475-L489 HydrophobicContact CZ3-CB 3.81Å; W475-P578 HydrophobicContact CH2-CG 4.26Å; W475-P578 HydrophobicContact CZ3-CG 3.88Å; W475-I586 HydrophobicContact CE3-CG2 4.2Å; W475-I586 HydrophobicContact CH2-CG2 4.47Å; W475-I586 HydrophobicContact CZ3-CG2 4.02Å; W475-G587 VanDerWaalsContact O-CA 3.32Å; W475-G587 WeakPolarHBondContact O-CA 3.37Å; W475-M588 HydrophobicContact CE3-CB 4.02Å; W475-M588 HydrophobicContact CE3-SD 4.4Å; W475-M588 HydrophobicContact CZ3-SD 4.39Å; W475-M588 PolarHBondContact N-O 2.89Å; W475-M588 PolarHBondContact O-N 3.47Å; W475-M588 VanDerWaalsContact O-N 3.08Å
476	F	91.1	Very high	85.8	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.035	27%	0.265	C	S	.	.			trans	-124.3	120.7	167.7	-63.9	-93.2	0	0	0	108.8	S456 R457 G474 A507 G509 A522 I586	S456-F476 CarbonylContact C-O 3.58Å; S456-F476 WeakPolarHBondContact CA-O 3.16Å; R457-F476 HydrophobicContact CB-CB 4.21Å; R457-F476 PolarHBondContact N-O 2.91Å; G474-F476 WeakPolarHBondContact O-CD2 3.26Å; G474-F476 PolarHBondContact O-N 3.04Å; F476-A507 HydrophobicContact CE1-CB 4.39Å; F476-A507 HydrophobicContact CE2-CB 3.91Å; F476-A507 HydrophobicContact CZ-CB 3.62Å; F476-G509 VanDerWaalsContact CZ-CA 3.5Å; F476-A522 HydrophobicContact CD1-CB 4.37Å; F476-A522 HydrophobicContact CE1-CB 3.64Å; F476-A522 HydrophobicContact CZ-CB 4.45Å; F476-I586 VanDerWaalsContact CD1-O 3.27Å; F476-I586 WeakPolarHBondContact CD1-O 3.36Å
477	P	91.1	Very high	86	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.039	27%	0.269	C	S	.	.			trans	-68	160.9	175.2	28.5	-34	0	0	0	112	S455 W475 P482 E487 I586	S455-P477 WeakPolarHBondContact OG-CA 3.4Å; S455-P477 WeakPolarHBondContact OG-CB 3.36Å; W475-P477 HydrophobicContact CZ2-CB 3.94Å; W475-P477 HydrophobicContact CZ2-CG 4.39Å; P477-P482 HydrophobicContact CG-CG 4.41Å; P477-E487 HydrophobicContact CB-CB 4.38Å; P477-E487 HydrophobicContact CB-CG 3.81Å; P477-E487 HydrophobicContact CG-CG 4.25Å; P477-I586 HydrophobicContact CG-CB 3.86Å; P477-I586 HydrophobicContact CG-CD1 4.12Å; P477-I586 HydrophobicContact CG-CG2 4.11Å
478	A	86.6	Confident	86.2	Confident	55 Å²	55	48.8 Å²	48.8	46%	0.455	28%	0.277	S	S	.	.	S	Bend	trans	-58.8	-51.6	-179	0	0	0	0	0	113.7	S455 S456 A480	S455-A478 PolarHBondContact OG-N 2.84Å; S456-A478 WeakPolarHBondContact O-CB 3.32Å; A478-A480 PolarHBondContact O-N 3.04Å
479	P	83.1	Confident	86.5	Confident	51 Å²	51	48.8 Å²	48.8	33%	0.331	28%	0.277	S	S	.	.	S	Bend	trans	-69.4	123.6	169.1	28.4	-36.2	0	0	0	111.1	Q481 P482 E487	P479-Q481 PolarHBondContact O-N 3.03Å; P479-Q481 VanDerWaalsContact O-N 3.17Å; P479-P482 HydrophobicContact CB-CB 4.3Å; P479-P482 HydrophobicContact CG-CB 3.73Å; P479-P482 HydrophobicContact CG-CG 4.37Å; P479-P482 WeakPolarHBondContact O-CD 3.46Å; P479-E487 WeakPolarHBondContact CD-OE1 3.31Å; P479-E487 WeakPolarHBondContact CG-OE1 3.32Å
480	A	72.1	Confident	87	Confident	80 Å²	80	48.9 Å²	48.9	66%	0.661	28%	0.277	S	S	*	.	S	Bend	trans	-63.6	-20.3	175.7	0	0	0	0	0	113.8	A478	A478-A480 PolarHBondContact O-N 3.04Å
481	Q	78.3	Confident	88.2	Confident	115 Å²	115	47.4 Å²	47.4	54%	0.537	27%	0.265	S	S	.	.	S	Bend	trans	-142.5	86.3	172.8	-63.1	-63.7	-31.4	0	0	108.9	P479	P479-Q481 PolarHBondContact O-N 3.03Å; P479-Q481 VanDerWaalsContact O-N 3.17Å
482	P	85.8	Confident	89	Confident	14 Å²	14	47.9 Å²	47.9	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-75	173.2	178.4	24.5	-24.4	0	0	0	112.5	P477 P479 E487 W581 I586	P477-P482 HydrophobicContact CG-CG 4.41Å; P479-P482 HydrophobicContact CB-CB 4.3Å; P479-P482 HydrophobicContact CG-CB 3.73Å; P479-P482 HydrophobicContact CG-CG 4.37Å; P479-P482 WeakPolarHBondContact O-CD 3.46Å; P482-E487 HydrophobicContact CB-CG 3.54Å; P482-E487 HydrophobicContact CG-CG 3.73Å; P482-W581 HydrophobicContact CG-CH2 4.16Å; P482-W581 HydrophobicContact CG-CZ2 4.22Å; P482-W581 WeakPolarHBondContact O-CH2 3.31Å; P482-W581 VanDerWaalsContact O-CZ2 3.31Å; P482-W581 WeakPolarHBondContact O-CZ2 3.31Å; P482-I586 HydrophobicContact CG-CD1 3.48Å; P482-I586 VanDerWaalsContact CG-CD1 3.48Å; P482-I586 HydrophobicContact CG-CG1 4.45Å
483	L	90.2	Very high	90	Very high	115 Å²	115	38.8 Å²	38.8	60%	0.602	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-75.8	146.5	164	-56.4	176.5	0	0	0	110.1	G485 E486	L483-G485 PolarHBondContact O-N 3.47Å; L483-E486 HydrophobicContact CB-CG 4.07Å; L483-E486 WeakPolarHBondContact CB-OE2 3.39Å; L483-E486 PolarHBondContact O-N 3.4Å
484	A	90.8	Very high	90.3	Very high	58 Å²	58	39 Å²	39	48%	0.479	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	125.6	-176.9	0	0	0	0	0	111.3	W581	A484-W581 HydrophobicContact CB-CH2 4.43Å; A484-W581 HydrophobicContact CB-CZ3 4.47Å
485	G	87.1	Confident	90.5	Very high	24 Å²	24	42.5 Å²	42.5	25%	0.247	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	2.1	178.1	0	0	0	0	0	116.5	L483 Y577 P578	L483-G485 PolarHBondContact O-N 3.47Å; G485-Y577 WeakPolarHBondContact O-CD1 3.47Å; G485-P578 PolarHBondContact N-O 3.12Å
486	E	92.3	Very high	90.6	Very high	121 Å²	121	45 Å²	45	57%	0.565	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-46.7	172	-68.1	-171.8	152.5	0	0	112	L483	L483-E486 HydrophobicContact CB-CG 4.07Å; L483-E486 WeakPolarHBondContact CB-OE2 3.39Å; L483-E486 PolarHBondContact O-N 3.4Å
487	E	95.8	Very high	90.8	Very high	20 Å²	20	46.2 Å²	46.2	9%	0.093	28%	0.282	C	S	.	.			trans	-75.6	146.8	178.6	-58.2	-66.6	161.1	0	0	111.9	S454 S455 W475 P477 P479 P482 P578	S454-E487 WeakPolarHBondContact CB-OE2 3.41Å; S454-E487 VanDerWaalsContact OG-CA 3.29Å; S454-E487 WeakPolarHBondContact OG-CA 2.99Å; S454-E487 PolarHBondContact OG-OE2 2.79Å; S455-E487 WeakPolarHBondContact CB-OE2 3.43Å; S455-E487 VanDerWaalsContact OG-CD 3.27Å; S455-E487 PolarHBondContact OG-OE1 2.85Å; S455-E487 PolarHBondContact OG-OE2 3.08Å; W475-E487 HydrophobicContact CH2-CB 3.85Å; W475-E487 HydrophobicContact CZ2-CB 4.07Å; P477-E487 HydrophobicContact CB-CB 4.38Å; P477-E487 HydrophobicContact CB-CG 3.81Å; P477-E487 HydrophobicContact CG-CG 4.25Å; P479-E487 WeakPolarHBondContact CD-OE1 3.31Å; P479-E487 WeakPolarHBondContact CG-OE1 3.32Å; P482-E487 HydrophobicContact CB-CG 3.54Å; P482-E487 HydrophobicContact CG-CG 3.73Å; E487-P578 VanDerWaalsContact O-CD 3.24Å; E487-P578 WeakPolarHBondContact O-CD 3.34Å
488	W	96.4	Very high	91	Very high	51 Å²	51	46.7 Å²	46.7	19%	0.193	29%	0.285	C	S	.	.			trans	-147.9	150.3	177.3	51.4	-94.2	0	0	0	113	V453 S454 W475 Q490 R575 L576 Y577	V453-W488 WeakPolarHBondContact CA-O 3.46Å; S454-W488 PolarHBondContact N-O 3.38Å; S454-W488 PolarHBondContact OG-N 3.45Å; S454-W488 PolarHBondContact OG-O 3.36Å; W475-W488 VanDerWaalsContact CH2-C 3.44Å; W488-Q490 HydrophobicContact CE3-CB 3.63Å; W488-Q490 HydrophobicContact CZ3-CB 3.49Å; W488-Q490 VanDerWaalsContact CZ3-CB 3.49Å; W488-R575 HydrophobicContact CB-CG 4.36Å; W488-R575 HydrophobicContact CD2-CG 4.34Å; W488-R575 HydrophobicContact CE3-CG 4.07Å; W488-R575 HydrophobicContact CG-CG 4.48Å; W488-L576 WeakPolarHBondContact CA-O 3.35Å; W488-Y577 HydrophobicContact CB-CD1 3.77Å; W488-Y577 HydrophobicContact CB-CE1 3.67Å; W488-Y577 HydrophobicContact CB-CE2 4.41Å; W488-Y577 HydrophobicContact CB-CG 4.2Å; W488-Y577 AromaticContact CD1-CE1 3.64Å; W488-Y577 HydrophobicContact CG-CD1 4.46Å; W488-Y577 AromaticContact CG-CE1 3.93Å; W488-Y577 HydrophobicContact CG-CE1 3.93Å
489	L	96.8	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	164.8	-172.4	169.4	0	0	0	107.9	V453 A466 W475 V491 R575 L576 V590	V453-L489 HydrophobicContact CG1-CB 4.45Å; V453-L489 HydrophobicContact CG1-CG 4.14Å; A466-L489 HydrophobicContact CB-CD1 4.11Å; W475-L489 HydrophobicContact CB-CD1 4.05Å; W475-L489 HydrophobicContact CD2-CB 4.27Å; W475-L489 HydrophobicContact CD2-CD1 4.28Å; W475-L489 HydrophobicContact CE3-CB 3.72Å; W475-L489 HydrophobicContact CE3-CD1 3.88Å; W475-L489 HydrophobicContact CE3-CG 4.31Å; W475-L489 HydrophobicContact CG-CD1 4.38Å; W475-L489 HydrophobicContact CH2-CB 4.42Å; W475-L489 HydrophobicContact CZ3-CB 3.81Å; L489-V491 HydrophobicContact CD2-CG2 3.96Å; L489-R575 CarbonylContact O-C 3.58Å; L489-R575 VanDerWaalsContact O-CA 3.28Å; L489-R575 WeakPolarHBondContact O-CA 3.18Å; L489-L576 PolarHBondContact N-O 2.81Å; L489-L576 VanDerWaalsContact N-O 3.1Å; L489-L576 PolarHBondContact O-N 3.5Å; L489-V590 HydrophobicContact CD1-CG1 3.93Å; L489-V590 HydrophobicContact CD2-CG1 3.68Å; L489-V590 HydrophobicContact CG-CG1 4.49Å
490	Q	97.3	Very high	91.9	Very high	22 Å²	22	44.8 Å²	44.8	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.8	179.9	176.5	177.2	-50.6	0	0	111.7	S452 W488 W538 I574 R575	S452-Q490 PolarHBondContact N-O 3.4Å; S452-Q490 WeakPolarHBondContact O-CA 3.34Å; S452-Q490 PolarHBondContact O-N 2.78Å; S452-Q490 VanDerWaalsContact O-O 3.14Å; S452-Q490 WeakPolarHBondContact OG-CB 3Å; S452-Q490 PolarHBondContact OG-NE2 3.32Å; W488-Q490 HydrophobicContact CE3-CB 3.63Å; W488-Q490 HydrophobicContact CZ3-CB 3.49Å; W488-Q490 VanDerWaalsContact CZ3-CB 3.49Å; Q490-W538 HydrophobicContact CG-CH2 4.22Å; Q490-I574 CarbonylContact C-O 3.57Å; Q490-I574 VanDerWaalsContact CA-O 3.29Å; Q490-I574 WeakPolarHBondContact CA-O 3.46Å; Q490-R575 HydrophobicContact CB-CG 3.67Å; Q490-R575 HydrophobicContact CG-CG 4.08Å; Q490-R575 VanDerWaalsContact OE1-CZ 3.25Å
491	V	97.7	Very high	93	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.2	170.1	-175.6	0	0	0	0	107.8	L441 L446 L489 L493 Y573 I574 V590 I592	L441-V491 HydrophobicContact CD1-CG1 4Å; L441-V491 HydrophobicContact CD1-CG2 3.86Å; L441-V491 HydrophobicContact CG-CG1 4.5Å; L446-V491 HydrophobicContact CD1-CG1 3.53Å; L446-V491 HydrophobicContact CD2-CG1 4.29Å; L489-V491 HydrophobicContact CD2-CG2 3.96Å; V491-L493 HydrophobicContact CG1-CD2 3.98Å; V491-Y573 WeakPolarHBondContact O-CA 3.46Å; V491-I574 PolarHBondContact N-O 3.36Å; V491-I574 PolarHBondContact O-N 3.04Å; V491-V590 HydrophobicContact CG2-CG1 4.46Å; V491-I592 HydrophobicContact CB-CD1 4.49Å; V491-I592 HydrophobicContact CB-CG1 4.12Å; V491-I592 HydrophobicContact CG1-CG1 4.03Å; V491-I592 HydrophobicContact CG2-CD1 4.15Å; V491-I592 HydrophobicContact CG2-CG1 4.07Å
492	D	97.1	Very high	93.9	Very high	28 Å²	28	35.5 Å²	35.5	15%	0.15	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122	164.9	-174.1	-11.5	0	0	0	108.4	Q450 G494 Q572 Y573	Q450-D492 HydrophobicContact CB-CB 4.19Å; Q450-D492 WeakPolarHBondContact CB-O 3.36Å; Q450-D492 HydrophobicContact CG-CB 4.18Å; Q450-D492 PolarHBondContact NE2-O 2.97Å; Q450-D492 PolarHBondContact O-N 3.33Å; D492-G494 PolarHBondContact O-N 2.68Å; D492-G494 WeakPolarHBondContact OD1-CA 3.46Å; D492-G494 PolarHBondContact OD1-N 2.82Å; D492-Q572 VanDerWaalsContact OD1-CG 3.24Å; D492-Q572 WeakPolarHBondContact OD1-CG 3.46Å; D492-Q572 PolarHBondContact OD1-NE2 3.02Å; D492-Y573 HydrophobicContact CB-CD1 3.83Å; D492-Y573 HydrophobicContact CB-CE1 3.57Å; D492-Y573 WeakPolarHBondContact OD2-CE1 3.41Å; D492-Y573 PolarHBondContact OD2-OH 3.48Å
493	L	93.8	Very high	94.4	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-0.1	179	-58	175.4	0	0	0	112.5	Q439 L446 V491 V495 K497 V499 Q572 I592	Q439-L493 HydrophobicContact CB-CD2 3.82Å; Q439-L493 HydrophobicContact CG-CD2 4.27Å; L446-L493 HydrophobicContact CD1-CD2 4.12Å; V491-L493 HydrophobicContact CG1-CD2 3.98Å; L493-V495 PolarHBondContact O-N 2.71Å; L493-K497 HydrophobicContact CB-CG 4.06Å; L493-K497 HydrophobicContact CD1-CB 3.9Å; L493-K497 HydrophobicContact CD1-CG 3.9Å; L493-V499 HydrophobicContact CD1-CG2 3.67Å; L493-Q572 VanDerWaalsContact CB-O 3.32Å; L493-Q572 WeakPolarHBondContact CB-O 3.27Å; L493-Q572 VanDerWaalsContact CG-O 3.3Å; L493-Q572 WeakPolarHBondContact CG-O 3.42Å; L493-Q572 PolarHBondContact N-O 3.15Å; L493-I592 HydrophobicContact CD1-CG2 4.5Å; L493-I592 HydrophobicContact CD2-CB 4.33Å; L493-I592 HydrophobicContact CD2-CG1 4.41Å; L493-I592 HydrophobicContact CD2-CG2 4.3Å
494	G	91.3	Very high	94.7	Very high	35 Å²	35	29.3 Å²	29.3	36%	0.361	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-30.4	178.6	0	0	0	0	0	114.2	D492 Q572	D492-G494 PolarHBondContact O-N 2.68Å; D492-G494 WeakPolarHBondContact OD1-CA 3.46Å; D492-G494 PolarHBondContact OD1-N 2.82Å; G494-Q572 PolarHBondContact O-NE2 3.46Å
495	V	92.8	Very high	94.9	Very high	74 Å²	74	26.6 Å²	26.6	45%	0.448	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.8	172	-62.2	0	0	0	0	110	L493 K497	L493-V495 PolarHBondContact O-N 2.71Å; V495-K497 HydrophobicContact CG2-CD 4.14Å; V495-K497 PolarHBondContact O-N 2.86Å
496	P	95.2	Very high	95.2	Very high	54 Å²	54	25.4 Å²	25.4	35%	0.351	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	126.7	170.2	-24.1	35.4	0	0	0	112.3	L533 V570 Q572 L597	P496-L533 HydrophobicContact CB-CD2 4.2Å; P496-V570 HydrophobicContact CB-CG1 4.5Å; P496-Q572 HydrophobicContact CG-CB 4.41Å; P496-L597 HydrophobicContact CB-CD1 3.91Å
497	K	94.4	Very high	95	Very high	33 Å²	33	19.7 Å²	19.7	14%	0.143	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	163.1	176.9	-61.5	-69.3	-170.6	173.7	0	110.5	L493 V495 V499 V570 A571 D596	L493-K497 HydrophobicContact CB-CG 4.06Å; L493-K497 HydrophobicContact CD1-CB 3.9Å; L493-K497 HydrophobicContact CD1-CG 3.9Å; V495-K497 HydrophobicContact CG2-CD 4.14Å; V495-K497 PolarHBondContact O-N 2.86Å; K497-V499 HydrophobicContact CB-CG2 4.35Å; K497-V570 WeakPolarHBondContact O-CA 3.44Å; K497-A571 PolarHBondContact N-O 3.25Å; K497-A571 PolarHBondContact O-N 2.95Å; K497-D596 IonicContact NZ-OD1 3.81Å; K497-D596 PolarHBondContact NZ-OD1 2.83Å; K497-D596 IonicContact NZ-OD2 2.73Å
498	T	95.4	Very high	94.4	Very high	15 Å²	15	22.6 Å²	22.6	9%	0.092	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.8	161.3	-50.3	0	0	0	0	107.9	E568 G594 C595	T498-E568 HydrophobicContact CG2-CB 3.96Å; T498-E568 HydrophobicContact CG2-CG 4.38Å; T498-G594 CarbonylContact O-C 3.58Å; T498-G594 WeakPolarHBondContact O-CA 3.5Å; T498-C595 PolarHBondContact N-O 3.01Å; T498-C595 PolarHBondContact O-N 2.61Å
499	V	95.8	Very high	92.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.3	-178.5	-173.4	0	0	0	0	109.9	L493 K497 F566 E568 T569 A571 I574 I592	L493-V499 HydrophobicContact CD1-CG2 3.67Å; K497-V499 HydrophobicContact CB-CG2 4.35Å; V499-F566 HydrophobicContact CB-CE2 4.41Å; V499-F566 HydrophobicContact CG1-CE2 3.85Å; V499-F566 HydrophobicContact CG1-CZ 3.83Å; V499-E568 WeakPolarHBondContact O-CA 2.96Å; V499-T569 PolarHBondContact N-O 3.39Å; V499-T569 PolarHBondContact O-N 3.14Å; V499-A571 HydrophobicContact CG2-CB 4.07Å; V499-I574 HydrophobicContact CB-CD1 4.31Å; V499-I574 HydrophobicContact CG1-CD1 4.08Å; V499-I574 HydrophobicContact CG1-CG1 4.29Å; V499-I574 HydrophobicContact CG2-CD1 4.16Å; V499-I574 HydrophobicContact CG2-CG1 4.31Å; V499-I592 HydrophobicContact CG1-CG2 3.61Å; V499-I592 HydrophobicContact CG2-CG2 4.43Å
500	R	94.3	Very high	91	Very high	66 Å²	66	22.7 Å²	22.7	25%	0.249	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-18.9	-172.4	-173	179.6	171.5	128.9	-10.1	113.4	P434 C435 H565 F566 E568 L593	P434-R500 VanDerWaalsContact O-CD 3.28Å; P434-R500 WeakPolarHBondContact O-CD 3.07Å; P434-R500 PolarHBondContact O-NE 2.76Å; P434-R500 PolarHBondContact O-NH1 3.03Å; C435-R500 VanDerWaalsContact O-CB 3.32Å; C435-R500 WeakPolarHBondContact O-CB 3.28Å; C435-R500 WeakPolarHBondContact O-CD 3.42Å; R500-H565 WeakPolarHBondContact O-CA 3.37Å; R500-F566 PolarHBondContact O-N 3.12Å; R500-E568 HydrophobicContact CB-CG 4.04Å; R500-E568 VanDerWaalsContact CD-OE1 3.31Å; R500-E568 WeakPolarHBondContact CD-OE1 2.99Å; R500-E568 HydrophobicContact CG-CG 3.86Å; R500-E568 IonicContact CZ-OE1 2.72Å; R500-E568 IonicContact NE-OE1 2.79Å; R500-E568 IonicContact NH1-OE1 3.38Å; R500-E568 PolarHBondContact NH1-OE1 3.08Å; R500-L593 PolarHBondContact N-O 3.02Å
501	G	94.7	Very high	88.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	177.9	-178.3	0	0	0	0	0	114.4	R564 L593	G501-R564 CarbonylContact C-O 3.59Å; G501-R564 WeakPolarHBondContact CA-O 3.47Å; G501-L593 PolarHBondContact N-O 3.04Å; G501-L593 PolarHBondContact O-N 3.3Å
502	V	96.6	Very high	86	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.2	171.4	-64.1	0	0	0	0	109.5	T504 Y527 R564 F566 L576 E591 I592	V502-T504 HydrophobicContact CG2-CG2 4.32Å; V502-Y527 HydrophobicContact CG2-CE2 4.06Å; V502-Y527 VanDerWaalsContact CG2-OH 3.31Å; V502-Y527 WeakPolarHBondContact CG2-OH 3.5Å; V502-R564 HydrophobicContact CG2-CB 4.47Å; V502-R564 PolarHBondContact N-O 2.03Å; V502-R564 PolarHBondContact O-N 3.09Å; V502-F566 HydrophobicContact CG1-CE1 4.1Å; V502-F566 HydrophobicContact CG1-CZ 4.27Å; V502-F566 HydrophobicContact CG2-CE1 4.34Å; V502-L576 HydrophobicContact CB-CD2 4.21Å; V502-L576 HydrophobicContact CG1-CD2 4.23Å; V502-L576 HydrophobicContact CG2-CD2 4.01Å; V502-E591 WeakPolarHBondContact CA-O 3.31Å; V502-I592 HydrophobicContact CG1-CD1 3.68Å
503	I	96.3	Very high	83.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.8	166.5	-59.7	171.9	0	0	0	106.6	L404 I430 L468 P561 E562 L563 V590 E591 L593	L404-I503 HydrophobicContact CD1-CD1 4.13Å; L404-I503 HydrophobicContact CD1-CG1 4.27Å; L404-I503 HydrophobicContact CD1-CG2 3.67Å; I430-I503 HydrophobicContact CD1-CD1 3.98Å; I430-I503 HydrophobicContact CG2-CD1 4.11Å; L468-I503 HydrophobicContact CD1-CG2 3.84Å; L468-I503 HydrophobicContact CD2-CB 4.06Å; L468-I503 HydrophobicContact CD2-CD1 4.06Å; L468-I503 HydrophobicContact CD2-CG2 3.78Å; I503-P561 HydrophobicContact CG2-CB 3.68Å; I503-E562 WeakPolarHBondContact CA-O 3.32Å; I503-L563 HydrophobicContact CG1-CD1 3.93Å; I503-V590 WeakPolarHBondContact O-CA 3.22Å; I503-E591 HydrophobicContact CB-CB 4.38Å; I503-E591 PolarHBondContact N-O 2.73Å; I503-E591 PolarHBondContact O-N 2.98Å; I503-L593 HydrophobicContact CD1-CD1 4.19Å; I503-L593 HydrophobicContact CD1-CD2 4.06Å; I503-L593 HydrophobicContact CD1-CG 4.34Å; I503-L593 HydrophobicContact CG1-CD1 4.1Å; I503-L593 HydrophobicContact CG1-CD2 4.5Å; I503-L593 HydrophobicContact CG1-CG 4.27Å
504	T	96.1	Very high	80.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144	174.2	65.4	0	0	0	0	110.5	V502 Y527 N555 P561 E562 L576 M588	V502-T504 HydrophobicContact CG2-CG2 4.32Å; T504-Y527 HydrophobicContact CG2-CD1 4.41Å; T504-Y527 HydrophobicContact CG2-CE1 3.6Å; T504-Y527 HydrophobicContact CG2-CE2 4.38Å; T504-Y527 WeakPolarHBondContact CG2-OH 3.37Å; T504-N555 VanDerWaalsContact C-OD1 3.31Å; T504-N555 WeakPolarHBondContact CB-OD1 3.39Å; T504-N555 PolarHBondContact O-ND2 3.44Å; T504-N555 PolarHBondContact O-OD1 2.7Å; T504-N555 PolarHBondContact OG1-OD1 2.82Å; T504-P561 CarbonylContact O-C 3.6Å; T504-P561 VanDerWaalsContact O-CA 3.28Å; T504-P561 WeakPolarHBondContact O-CA 3.24Å; T504-E562 PolarHBondContact N-O 2.97Å; T504-E562 PolarHBondContact O-N 3.45Å; T504-L576 HydrophobicContact CG2-CD2 3.84Å; T504-M588 HydrophobicContact CG2-CE 3.53Å
505	Q	95.1	Very high	78.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.8	176.4	-163.2	-172.9	21	0	0	108.1	T368 L468 D559 P561 M588 R589	T368-Q505 PolarHBondContact OG1-NE2 3.46Å; L468-Q505 HydrophobicContact CD1-CB 3.82Å; L468-Q505 HydrophobicContact CD1-CG 4.36Å; Q505-D559 WeakPolarHBondContact CG-O 3.28Å; Q505-D559 PolarHBondContact NE2-O 2.83Å; Q505-P561 HydrophobicContact CB-CB 4.05Å; Q505-P561 HydrophobicContact CG-CB 4.03Å; Q505-M588 WeakPolarHBondContact O-CA 3.47Å; Q505-R589 HydrophobicContact CB-CB 4.02Å; Q505-R589 PolarHBondContact N-O 2.04Å; Q505-R589 PolarHBondContact O-N 3Å
506	G	93.3	Very high	76	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	27%	0.269	C	S	.	.			trans	-79.9	-169.1	172.4	0	0	0	0	0	112.5	Y558 R589	G506-Y558 CarbonylContact C-O 3.58Å; G506-Y558 WeakPolarHBondContact CA-O 3.49Å; G506-Y558 PolarHBondContact N-O 2.88Å; G506-R589 VanDerWaalsContact O-CZ 3.31Å; G506-R589 PolarHBondContact O-NE 3.42Å; G506-R589 PolarHBondContact O-NH2 3.3Å
507	A	88	Confident	73.5	Confident	0 Å²	0	43 Å²	43	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.1	-177.6	0	0	0	0	0	112.4	F476 A522	F476-A507 HydrophobicContact CE1-CB 4.39Å; F476-A507 HydrophobicContact CE2-CB 3.91Å; F476-A507 HydrophobicContact CZ-CB 3.62Å; A507-A522 PolarHBondContact N-O 2.87Å; A507-A522 PolarHBondContact O-N 3.33Å; A507-A522 VanDerWaalsContact O-N 3.08Å
508	R	83.2	Confident	71.2	Confident	81 Å²	81	45.7 Å²	45.7	31%	0.306	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.5	171.5	-173.6	173.1	178.5	-170.2	-11.4	108.8	D372 D519 Y558	D372-R508 IonicContact OD1-NH1 2.66Å; D372-R508 PolarHBondContact OD1-NH1 2.96Å; R508-D519 IonicContact CZ-OD1 3.17Å; R508-D519 VanDerWaalsContact CZ-OD1 3.26Å; R508-D519 IonicContact CZ-OD2 3.66Å; R508-D519 IonicContact NE-OD1 2.69Å; R508-D519 PolarHBondContact NE-OD1 3.09Å; R508-D519 IonicContact NE-OD2 3.77Å; R508-D519 IonicContact NH2-OD1 2.74Å; R508-D519 PolarHBondContact NH2-OD1 3.36Å; R508-D519 IonicContact NH2-OD2 3.52Å; R508-D519 PolarHBondContact NH2-OD2 2.86Å; R508-Y558 HydrophobicContact CB-CD2 4.31Å
509	G	65	Low	69.3	Low	3 Å²	3	46.3 Å²	46.3	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.6	178.1	0	0	0	0	0	111.2	F476 N520	F476-G509 VanDerWaalsContact CZ-CA 3.5Å; G509-N520 PolarHBondContact N-O 2.81Å; G509-N520 VanDerWaalsContact O-CB 3.28Å; G509-N520 WeakPolarHBondContact O-CB 3.4Å; G509-N520 PolarHBondContact O-N 3.22Å; G509-N520 PolarHBondContact O-ND2 3.42Å
510	G	57.5	Low	68	Low	50 Å²	50	50.4 Å²	50.4	52%	0.515	34%	0.335	S	S	.	.			trans	-178.3	151	177	0	0	0	0	0	110.9
511	D	47.7	Very low	67.6	Low	126 Å²	126	52 Å²	52	67%	0.674	34%	0.341	S	S	*	.			trans	-82.4	136.5	174.5	-156.8	7.1	0	0	0	108.5	G513 S514	D511-G513 PolarHBondContact O-N 3.08Å; D511-S514 WeakPolarHBondContact O-CB 3.49Å; D511-S514 PolarHBondContact O-N 3.1Å; D511-S514 PolarHBondContact O-OG 2.88Å
512	P	43.2	Very low	67.4	Low	132 Å²	132	52 Å²	52	86%	0.857	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-18.6	-168.5	-28.1	37.1	0	0	0	116.1
513	G	41.8	Very low	67.2	Low	80 Å²	80	52.9 Å²	52.9	83%	0.825	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.6	173.7	0	0	0	0	0	115.3	D511	D511-G513 PolarHBondContact O-N 3.08Å
514	S	40.1	Very low	67.2	Low	47 Å²	47	52.9 Å²	52.9	33%	0.329	35%	0.345	S	S	.	.	S	Bend	trans	-85.2	126.3	-179.9	64	0	0	0	0	111.7	D511	D511-S514 WeakPolarHBondContact O-CB 3.49Å; D511-S514 PolarHBondContact O-N 3.1Å; D511-S514 PolarHBondContact O-OG 2.88Å
515	G	38.2	Very low	67.1	Low	44 Å²	44	58.3 Å²	58.3	45%	0.454	37%	0.366	S	S	.	.			trans	-66.1	167.7	-173.4	0	0	0	0	0	114.6	A517 T518	G515-A517 PolarHBondContact O-N 3.45Å; G515-T518 PolarHBondContact O-N 3.1Å
516	P	44.3	Very low	67.2	Low	126 Å²	126	60 Å²	60	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	14.7	-167	29.2	-37.9	0	0	0	116.2
517	A	41.6	Very low	67.4	Low	99 Å²	99	60 Å²	60	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.4	179.1	0	0	0	0	0	114	G515	G515-A517 PolarHBondContact O-N 3.45Å
518	T	46.8	Very low	67.8	Low	90 Å²	90	62.5 Å²	62.5	55%	0.552	38%	0.384	S	S	*	.			trans	-133.8	28.5	-171.2	54.3	0	0	0	0	115	G515 N520	G515-T518 PolarHBondContact O-N 3.1Å; T518-N520 PolarHBondContact O-N 2.81Å; T518-N520 VanDerWaalsContact O-N 3.15Å
519	D	55.5	Low	68.5	Low	28 Å²	28	58.7 Å²	58.7	15%	0.15	37%	0.369	C	S	.	.			trans	-62.9	114.2	169.9	-71.4	-51.8	0	0	0	110.8	R508 R521	R508-D519 IonicContact CZ-OD1 3.17Å; R508-D519 VanDerWaalsContact CZ-OD1 3.26Å; R508-D519 IonicContact CZ-OD2 3.66Å; R508-D519 IonicContact NE-OD1 2.69Å; R508-D519 PolarHBondContact NE-OD1 3.09Å; R508-D519 IonicContact NE-OD2 3.77Å; R508-D519 IonicContact NH2-OD1 2.74Å; R508-D519 PolarHBondContact NH2-OD1 3.36Å; R508-D519 IonicContact NH2-OD2 3.52Å; R508-D519 PolarHBondContact NH2-OD2 2.86Å; D519-R521 VanDerWaalsContact C-N 3.25Å; D519-R521 HydrophobicContact CB-CG 3.67Å; D519-R521 PolarHBondContact O-N 2.8Å; D519-R521 IonicContact OD2-CZ 2.73Å; D519-R521 IonicContact OD2-NE 3.95Å; D519-R521 PolarHBondContact OD2-NE 3.11Å; D519-R521 VanDerWaalsContact OD2-NE 3.16Å; D519-R521 IonicContact OD2-NH2 2.79Å; D519-R521 PolarHBondContact OD2-NH2 2.84Å
520	N	68	Low	70.1	Confident	86 Å²	86	58.5 Å²	58.5	46%	0.46	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	77.9	170.4	-64.2	-72.6	0	0	0	109.9	G509 T518 A522	G509-N520 PolarHBondContact N-O 2.81Å; G509-N520 VanDerWaalsContact O-CB 3.28Å; G509-N520 WeakPolarHBondContact O-CB 3.4Å; G509-N520 PolarHBondContact O-N 3.22Å; G509-N520 PolarHBondContact O-ND2 3.42Å; T518-N520 PolarHBondContact O-N 2.81Å; T518-N520 VanDerWaalsContact O-N 3.15Å; N520-A522 VanDerWaalsContact C-N 3.34Å; N520-A522 PolarHBondContact O-N 2.86Å
521	R	86.3	Confident	72	Confident	100 Å²	100	57.7 Å²	57.7	38%	0.377	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	82.1	179.9	-59.5	179.2	-175.7	-154.1	3.8	110.4	D519 Y558 S582	D519-R521 VanDerWaalsContact C-N 3.25Å; D519-R521 HydrophobicContact CB-CG 3.67Å; D519-R521 PolarHBondContact O-N 2.8Å; D519-R521 IonicContact OD2-CZ 2.73Å; D519-R521 IonicContact OD2-NE 3.95Å; D519-R521 PolarHBondContact OD2-NE 3.11Å; D519-R521 VanDerWaalsContact OD2-NE 3.16Å; D519-R521 IonicContact OD2-NH2 2.79Å; D519-R521 PolarHBondContact OD2-NH2 2.84Å; R521-Y558 HydrophobicContact CB-CD1 3.91Å; R521-Y558 HydrophobicContact CB-CG 4.03Å; R521-Y558 HydrophobicContact CG-CD1 4.09Å; R521-Y558 HydrophobicContact CG-CE1 4.31Å; R521-Y558 HydrophobicContact CG-CG 4.25Å; R521-Y558 PolarHBondContact NH1-OH 3.22Å; R521-S582 PolarHBondContact O-OG 2.86Å
522	A	90.3	Very high	74.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141.7	-174.9	0	0	0	0	0	111.1	F476 A507 N520	F476-A522 HydrophobicContact CD1-CB 4.37Å; F476-A522 HydrophobicContact CE1-CB 3.64Å; F476-A522 HydrophobicContact CZ-CB 4.45Å; A507-A522 PolarHBondContact N-O 2.87Å; A507-A522 PolarHBondContact O-N 3.33Å; A507-A522 VanDerWaalsContact O-N 3.08Å; N520-A522 VanDerWaalsContact C-N 3.34Å; N520-A522 PolarHBondContact O-N 2.86Å
523	F	93.5	Very high	76.9	Confident	18 Å²	18	50.2 Å²	50.2	8%	0.079	30%	0.303	C	S	.	.			trans	-158.4	140.7	175.8	58.7	-92.2	0	0	0	112.5	R525 N555 T556 W581 S582 G587	F523-R525 HydrophobicContact CD2-CG 3.81Å; F523-R525 HydrophobicContact CE2-CG 3.67Å; F523-N555 HydrophobicContact CB-CB 4.29Å; F523-N555 HydrophobicContact CD2-CB 4.26Å; F523-N555 VanDerWaalsContact CD2-O 3.23Å; F523-N555 WeakPolarHBondContact CD2-O 3.44Å; F523-N555 VanDerWaalsContact CE2-O 3.3Å; F523-N555 WeakPolarHBondContact CE2-O 3.31Å; F523-T556 VanDerWaalsContact CE2-C 3.46Å; F523-T556 WeakPolarHBondContact CE2-O 3.21Å; F523-T556 VanDerWaalsContact CZ-O 3.24Å; F523-T556 WeakPolarHBondContact CZ-O 3.48Å; F523-W581 CarbonylContact O-C 3.58Å; F523-W581 VanDerWaalsContact O-CA 3.24Å; F523-W581 WeakPolarHBondContact O-CA 3.36Å; F523-W581 WeakPolarHBondContact O-CB 3.45Å; F523-S582 VanDerWaalsContact CD1-CB 3.49Å; F523-S582 VanDerWaalsContact CE1-CB 3.48Å; F523-S582 PolarHBondContact O-N 2.92Å; F523-G587 WeakPolarHBondContact CA-O 3.27Å
524	V	95.6	Very high	79.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.3	175.3	-179.3	0	0	0	0	109.7	K526 Y527 G554 N555 P578 I586 M588	V524-K526 VanDerWaalsContact CG1-O 3.29Å; V524-K526 WeakPolarHBondContact CG1-O 3.5Å; V524-Y527 HydrophobicContact CG1-CD1 4.09Å; V524-G554 CarbonylContact O-C 3.59Å; V524-N555 PolarHBondContact O-N 2.84Å; V524-P578 HydrophobicContact CG1-CB 3.95Å; V524-P578 HydrophobicContact CG1-CG 4.45Å; V524-P578 HydrophobicContact CG2-CB 3.98Å; V524-P578 HydrophobicContact CG2-CG 3.98Å; V524-I586 HydrophobicContact CG2-CG2 4.01Å; V524-M588 HydrophobicContact CG2-CB 4.22Å; V524-M588 HydrophobicContact CG2-CG 4.33Å; V524-M588 HydrophobicContact CG2-SD 3.87Å
525	R	94.8	Very high	81.9	Confident	114 Å²	114	49 Å²	49	43%	0.43	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-26.6	-179.4	-69.2	-177.3	176.2	168.7	-8.7	113.6	F523 G554 R580 W581	F523-R525 HydrophobicContact CD2-CG 3.81Å; F523-R525 HydrophobicContact CE2-CG 3.67Å; R525-G554 PolarHBondContact O-N 3.11Å; R525-R580 WeakPolarHBondContact CA-O 3.07Å; R525-R580 HydrophobicContact CB-CB 4.37Å; R525-R580 PolarHBondContact N-O 3.43Å; R525-W581 WeakPolarHBondContact CD-O 2.97Å
526	K	96.4	Very high	84.5	Confident	34 Å²	34	55.2 Å²	55.2	15%	0.148	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.2	171.4	-69.5	-172.1	168.9	-71.7	0	110.2	V524 L551 F552 E553 E579 R580	V524-K526 VanDerWaalsContact CG1-O 3.29Å; V524-K526 WeakPolarHBondContact CG1-O 3.5Å; K526-L551 HydrophobicContact CB-CD1 3.98Å; K526-L551 HydrophobicContact CB-CG 4.36Å; K526-L551 HydrophobicContact CD-CD1 4.4Å; K526-L551 HydrophobicContact CD-CD2 3.85Å; K526-L551 HydrophobicContact CD-CG 4.01Å; K526-F552 VanDerWaalsContact CA-O 3.23Å; K526-F552 WeakPolarHBondContact CA-O 3.1Å; K526-E553 VanDerWaalsContact CE-OE2 3.3Å; K526-E553 WeakPolarHBondContact CE-OE2 3.31Å; K526-E553 IonicContact NZ-OE1 2.66Å; K526-E553 PolarHBondContact NZ-OE1 2.82Å; K526-E553 IonicContact NZ-OE2 2.95Å; K526-E553 PolarHBondContact NZ-OE2 2.86Å; K526-E579 HydrophobicContact CB-CB 4.32Å; K526-E579 PolarHBondContact O-N 3.34Å; K526-R580 HydrophobicContact CB-CB 4.11Å; K526-R580 HydrophobicContact CB-CG 4.33Å; K526-R580 HydrophobicContact CD-CG 4.46Å; K526-R580 PolarHBondContact N-O 2.76Å; K526-R580 PolarHBondContact O-N 2.83Å; K526-R580 VanDerWaalsContact O-N 3.15Å
527	Y	97.4	Very high	87	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	164.4	177.6	59.2	-91.5	0	0	0	112.2	V502 T504 V524 V529 F552 R564 L576 Y577	V502-Y527 HydrophobicContact CG2-CE2 4.06Å; V502-Y527 VanDerWaalsContact CG2-OH 3.31Å; V502-Y527 WeakPolarHBondContact CG2-OH 3.5Å; T504-Y527 HydrophobicContact CG2-CD1 4.41Å; T504-Y527 HydrophobicContact CG2-CE1 3.6Å; T504-Y527 HydrophobicContact CG2-CE2 4.38Å; T504-Y527 WeakPolarHBondContact CG2-OH 3.37Å; V524-Y527 HydrophobicContact CG1-CD1 4.09Å; Y527-V529 HydrophobicContact CD2-CG2 3.77Å; Y527-V529 HydrophobicContact CE2-CG2 3.56Å; Y527-F552 HydrophobicContact CD1-CB 4.42Å; Y527-F552 HydrophobicContact CD2-CB 3.98Å; Y527-F552 HydrophobicContact CD2-CD2 4.25Å; Y527-F552 HydrophobicContact CD2-CG 4.35Å; Y527-F552 HydrophobicContact CE1-CB 4.13Å; Y527-F552 HydrophobicContact CE2-CB 3.63Å; Y527-F552 HydrophobicContact CE2-CD2 4.05Å; Y527-F552 AromaticContact CE2-CG 3.85Å; Y527-F552 HydrophobicContact CE2-CG 3.85Å; Y527-F552 HydrophobicContact CG-CB 4.35Å; Y527-F552 PolarHBondContact N-O 3.24Å; Y527-F552 PolarHBondContact O-N 2.83Å; Y527-R564 WeakPolarHBondContact OH-CB 3.46Å; Y527-R564 VanDerWaalsContact OH-CG 3.29Å; Y527-R564 WeakPolarHBondContact OH-CG 3.46Å; Y527-L576 HydrophobicContact CD2-CD2 4.33Å; Y527-L576 HydrophobicContact CE2-CD2 4.11Å; Y527-Y577 CarbonylContact C-O 3.52Å; Y527-Y577 WeakPolarHBondContact CA-O 3.35Å; Y527-Y577 VanDerWaalsContact CB-O 3.26Å; Y527-Y577 WeakPolarHBondContact CB-O 3.28Å
528	K	97.4	Very high	89.6	Confident	53 Å²	53	52.1 Å²	52.1	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	156.3	163.9	-66.9	162.9	-173.8	151.9	0	109.1	F540 P549 L551 Y577 E579	K528-F540 HydrophobicContact CB-CD1 4.02Å; K528-F540 HydrophobicContact CB-CE1 3.98Å; K528-F540 HydrophobicContact CD-CE1 4.31Å; K528-P549 HydrophobicContact CD-CB 4.03Å; K528-P549 HydrophobicContact CG-CB 4.33Å; K528-L551 HydrophobicContact CG-CD1 4.45Å; K528-Y577 PolarHBondContact N-O 2.92Å; K528-Y577 PolarHBondContact O-N 3.28Å; K528-E579 HydrophobicContact CD-CG 4.22Å; K528-E579 WeakPolarHBondContact CD-OE1 3.41Å; K528-E579 VanDerWaalsContact CE-OE1 3.23Å; K528-E579 WeakPolarHBondContact CE-OE1 3.16Å; K528-E579 VanDerWaalsContact CE-OE2 3.27Å; K528-E579 WeakPolarHBondContact CE-OE2 3.5Å; K528-E579 HydrophobicContact CG-CG 4.11Å; K528-E579 IonicContact NZ-OE1 3.42Å; K528-E579 PolarHBondContact NZ-OE1 2.79Å; K528-E579 IonicContact NZ-OE2 2.69Å; K528-E579 PolarHBondContact NZ-OE2 3.41Å
529	V	97.9	Very high	92	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.1	172.6	-176.3	0	0	0	0	108.9	Y527 F540 I541 F552 F566 I574 R575 L576	Y527-V529 HydrophobicContact CD2-CG2 3.77Å; Y527-V529 HydrophobicContact CE2-CG2 3.56Å; V529-F540 WeakPolarHBondContact O-CA 3.37Å; V529-I541 HydrophobicContact CB-CD1 3.84Å; V529-I541 HydrophobicContact CB-CG1 4.13Å; V529-I541 HydrophobicContact CG1-CD1 3.61Å; V529-I541 HydrophobicContact CG1-CG1 4.14Å; V529-I541 PolarHBondContact O-N 2.84Å; V529-F552 HydrophobicContact CB-CE2 4.03Å; V529-F552 HydrophobicContact CG2-CD2 3.94Å; V529-F552 HydrophobicContact CG2-CE2 3.69Å; V529-F552 HydrophobicContact CG2-CZ 4.23Å; V529-F566 HydrophobicContact CG1-CE1 4.5Å; V529-I574 HydrophobicContact CG1-CG2 3.96Å; V529-R575 CarbonylContact C-O 3.53Å; V529-R575 WeakPolarHBondContact CA-O 3.36Å; V529-L576 HydrophobicContact CG2-CG 4.47Å
530	A	97.4	Very high	94	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.3	168.4	0	0	0	0	0	110.9	W538 N539 F540 R575 Y577	A530-W538 HydrophobicContact CB-CE3 4.03Å; A530-N539 CarbonylContact C-O 3.53Å; A530-N539 WeakPolarHBondContact CA-O 3.25Å; A530-N539 WeakPolarHBondContact CB-O 2.98Å; A530-F540 HydrophobicContact CB-CD1 3.91Å; A530-F540 HydrophobicContact CB-CE1 4.02Å; A530-F540 HydrophobicContact CB-CG 4.32Å; A530-R575 PolarHBondContact N-O 3.38Å; A530-R575 PolarHBondContact O-N 2.9Å; A530-Y577 HydrophobicContact CB-CD2 4.4Å; A530-Y577 HydrophobicContact CB-CE2 3.82Å
531	H	97.3	Very high	95.3	Very high	32 Å²	32	51.2 Å²	51.2	15%	0.148	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154	-178.8	66	-65	0	0	0	111.5	N539 A571 Y573 I574	H531-N539 PolarHBondContact N-O 2.99Å; H531-N539 PolarHBondContact ND1-O 2.87Å; H531-N539 PolarHBondContact O-N 2.91Å; H531-A571 HydrophobicContact CB-CB 3.85Å; H531-Y573 CarbonylContact C-O 3.53Å; H531-Y573 VanDerWaalsContact CA-O 3.27Å; H531-Y573 WeakPolarHBondContact CA-O 3.35Å; H531-I574 HydrophobicContact CB-CD1 3.74Å
532	S	97.8	Very high	95.6	Very high	3 Å²	3	51 Å²	51	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.4	176.3	-174.8	0	0	0	0	111.4	N534 G535 D537 Q572 Y573	S532-N534 PolarHBondContact OG-N 3.27Å; S532-N534 PolarHBondContact OG-OD1 3.39Å; S532-N534 VanDerWaalsContact OG-OD1 3.11Å; S532-G535 PolarHBondContact OG-N 3.34Å; S532-G535 VanDerWaalsContact OG-N 3.09Å; S532-D537 WeakPolarHBondContact CB-O 3.35Å; S532-D537 PolarHBondContact OG-O 3.49Å; S532-Q572 PolarHBondContact O-N 3.44Å; S532-Y573 PolarHBondContact N-O 2.77Å; S532-Y573 PolarHBondContact O-N 2.88Å
533	L	96.4	Very high	95.7	Very high	99 Å²	99	53.1 Å²	53.1	52%	0.518	26%	0.257	S	S	.	.	S	Bend	trans	-103.4	-11.6	171.4	-67.4	171.7	0	0	0	113	P496 V570	P496-L533 HydrophobicContact CB-CD2 4.2Å; L533-V570 HydrophobicContact CD2-CG1 4.13Å
534	N	93.9	Very high	95.4	Very high	78 Å²	78	58 Å²	58	42%	0.417	29%	0.288	S	S	.	.	S	Bend	trans	-135.6	5.6	-173.1	67.3	7.6	0	0	0	113.9	S532 K536 D537	S532-N534 PolarHBondContact OG-N 3.27Å; S532-N534 PolarHBondContact OG-OD1 3.39Å; S532-N534 VanDerWaalsContact OG-OD1 3.11Å; N534-K536 PolarHBondContact O-N 3.06Å; N534-K536 VanDerWaalsContact O-N 3.08Å; N534-K536 PolarHBondContact OD1-N 3.42Å; N534-D537 PolarHBondContact ND2-OD2 2.76Å; N534-D537 PolarHBondContact OD1-N 2.99Å
535	G	92.3	Very high	95.2	Very high	22 Å²	22	67.2 Å²	67.2	23%	0.227	33%	0.328	C	S	.	.	S	Bend	trans	69.8	-3.3	-178.3	0	0	0	0	0	115.3	S532 W538 Y573	S532-G535 PolarHBondContact OG-N 3.34Å; S532-G535 VanDerWaalsContact OG-N 3.09Å; G535-W538 PolarHBondContact O-NE1 3.49Å; G535-Y573 VanDerWaalsContact N-CD2 3.33Å
536	K	93.8	Very high	95	Very high	175 Å²	175	65.5 Å²	65.5	76%	0.761	33%	0.33	S	S	*	.	S	Bend	trans	-110.5	-48.1	-173.6	-65.2	174.8	-176.6	175.5	0	112	N534	N534-K536 PolarHBondContact O-N 3.06Å; N534-K536 VanDerWaalsContact O-N 3.08Å; N534-K536 PolarHBondContact OD1-N 3.42Å
537	D	95.8	Very high	94.8	Very high	106 Å²	106	68.5 Å²	68.5	57%	0.567	36%	0.355	S	S	*	.	S	Bend	trans	-94.9	115	-179.6	-59.5	-59	0	0	0	109.9	S532 N534	S532-D537 WeakPolarHBondContact CB-O 3.35Å; S532-D537 PolarHBondContact OG-O 3.49Å; N534-D537 PolarHBondContact ND2-OD2 2.76Å; N534-D537 PolarHBondContact OD1-N 2.99Å
538	W	97.1	Very high	94.6	Very high	54 Å²	54	74.7 Å²	74.7	21%	0.205	38%	0.384	C	S	.	.			trans	-114.5	118.5	-170.4	-71.2	91.6	0	0	0	112.6	Q490 A530 G535 R575	Q490-W538 HydrophobicContact CG-CH2 4.22Å; A530-W538 HydrophobicContact CB-CE3 4.03Å; G535-W538 PolarHBondContact O-NE1 3.49Å; W538-R575 HydrophobicContact CE3-CB 4.26Å; W538-R575 HydrophobicContact CE3-CG 4.33Å; W538-R575 HydrophobicContact CH2-CB 4.16Å; W538-R575 HydrophobicContact CH2-CG 3.51Å; W538-R575 HydrophobicContact CZ2-CG 4.22Å; W538-R575 VanDerWaalsContact CZ2-NE 3.32Å; W538-R575 HydrophobicContact CZ3-CB 3.7Å; W538-R575 HydrophobicContact CZ3-CG 3.59Å
539	N	96.8	Very high	94.4	Very high	101 Å²	101	74.5 Å²	74.5	54%	0.54	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.2	176.3	-69.7	-56.9	0	0	0	110.6	A530 H531	A530-N539 CarbonylContact C-O 3.53Å; A530-N539 WeakPolarHBondContact CA-O 3.25Å; A530-N539 WeakPolarHBondContact CB-O 2.98Å; H531-N539 PolarHBondContact N-O 2.99Å; H531-N539 PolarHBondContact ND1-O 2.87Å; H531-N539 PolarHBondContact O-N 2.91Å
540	F	96.8	Very high	94.3	Very high	74 Å²	74	77.3 Å²	77.3	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.1	171.5	-76.6	-80.3	0	0	0	111.2	K528 V529 A530 M542 P549 Y577	K528-F540 HydrophobicContact CB-CD1 4.02Å; K528-F540 HydrophobicContact CB-CE1 3.98Å; K528-F540 HydrophobicContact CD-CE1 4.31Å; V529-F540 WeakPolarHBondContact O-CA 3.37Å; A530-F540 HydrophobicContact CB-CD1 3.91Å; A530-F540 HydrophobicContact CB-CE1 4.02Å; A530-F540 HydrophobicContact CB-CG 4.32Å; F540-M542 HydrophobicContact CB-SD 4.24Å; F540-M542 PolarHBondContact O-N 2.85Å; F540-P549 HydrophobicContact CB-CB 3.84Å; F540-P549 HydrophobicContact CB-CG 3.97Å; F540-P549 HydrophobicContact CD1-CB 4.17Å; F540-P549 HydrophobicContact CD2-CG 4.31Å; F540-P549 HydrophobicContact CG-CB 3.97Å; F540-P549 HydrophobicContact CG-CG 4.08Å; F540-Y577 AromaticContact CE1-CD2 3.82Å; F540-Y577 HydrophobicContact CE1-CD2 3.82Å; F540-Y577 HydrophobicContact CE1-CE2 4.04Å; F540-Y577 HydrophobicContact CE1-CG 4.38Å; F540-Y577 HydrophobicContact CZ-CD2 4.31Å; F540-Y577 HydrophobicContact CZ-CE2 4.21Å
541	I	96.1	Very high	94.2	Very high	11 Å²	11	80.9 Å²	80.9	6%	0.056	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-69.9	122.7	167.2	-57.2	-171	0	0	0	107.5	V529 K550 F552 F566	V529-I541 HydrophobicContact CB-CD1 3.84Å; V529-I541 HydrophobicContact CB-CG1 4.13Å; V529-I541 HydrophobicContact CG1-CD1 3.61Å; V529-I541 HydrophobicContact CG1-CG1 4.14Å; V529-I541 PolarHBondContact O-N 2.84Å; I541-K550 HydrophobicContact CG2-CD 4.45Å; I541-K550 VanDerWaalsContact O-CB 3.27Å; I541-K550 WeakPolarHBondContact O-CB 3.36Å; I541-K550 PolarHBondContact O-N 2.92Å; I541-F552 HydrophobicContact CG2-CZ 4.21Å; I541-F566 HydrophobicContact CD1-CB 4.29Å; I541-F566 HydrophobicContact CD1-CD1 3.74Å; I541-F566 HydrophobicContact CD1-CD2 3.5Å; I541-F566 VanDerWaalsContact CD1-CD2 3.5Å; I541-F566 HydrophobicContact CD1-CE1 3.78Å; I541-F566 HydrophobicContact CD1-CE2 3.53Å; I541-F566 HydrophobicContact CD1-CG 3.58Å; I541-F566 HydrophobicContact CD1-CZ 3.67Å; I541-F566 HydrophobicContact CG2-CB 3.97Å; I541-F566 HydrophobicContact CG2-CG 4.39Å
542	M	93.4	Very high	94.2	Very high	94 Å²	94	79.8 Å²	79.8	46%	0.463	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	151	-172.3	-57	-60.1	-82.8	0	0	111.7	F540 S547 Q548 P549	F540-M542 HydrophobicContact CB-SD 4.24Å; F540-M542 PolarHBondContact O-N 2.85Å; M542-S547 WeakPolarHBondContact CE-O 3.44Å; M542-Q548 WeakPolarHBondContact CA-O 3.41Å; M542-P549 HydrophobicContact SD-CG 4.25Å
543	D	91.8	Very high	94	Very high	46 Å²	46	84.7 Å²	84.7	25%	0.246	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.8	166.8	166.6	29.4	0	0	0	109.8	K545 T546 S547 Q548 K550	D543-K545 PolarHBondContact O-N 3.34Å; D543-K545 PolarHBondContact OD1-N 3.2Å; D543-T546 WeakPolarHBondContact CB-OG1 3.26Å; D543-T546 VanDerWaalsContact CG-OG1 3.31Å; D543-T546 PolarHBondContact O-N 2.84Å; D543-T546 WeakPolarHBondContact OD2-CB 3.31Å; D543-T546 VanDerWaalsContact OD2-CG2 3.28Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.47Å; D543-T546 PolarHBondContact OD2-OG1 3.21Å; D543-S547 PolarHBondContact O-N 2.93Å; D543-Q548 PolarHBondContact N-O 2.83Å; D543-K550 HydrophobicContact CB-CB 4.12Å; D543-K550 HydrophobicContact CB-CG 4.27Å
544	V	87.7	Confident	93.8	Very high	120 Å²	120	80.2 Å²	80.2	73%	0.727	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.7	179.1	-173.4	0	0	0	0	112.8
545	K	91.1	Very high	93.8	Very high	194 Å²	194	76.7 Å²	76.7	84%	0.843	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-22.9	-178.2	-63.3	-179.1	-178.4	177.1	0	114.9	D543	D543-K545 PolarHBondContact O-N 3.34Å; D543-K545 PolarHBondContact OD1-N 3.2Å
546	T	91.1	Very high	93.6	Very high	78 Å²	78	80.1 Å²	80.1	48%	0.479	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-12.9	-172.5	55.8	0	0	0	0	113.7	D543 Q548	D543-T546 WeakPolarHBondContact CB-OG1 3.26Å; D543-T546 VanDerWaalsContact CG-OG1 3.31Å; D543-T546 PolarHBondContact O-N 2.84Å; D543-T546 WeakPolarHBondContact OD2-CB 3.31Å; D543-T546 VanDerWaalsContact OD2-CG2 3.28Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.47Å; D543-T546 PolarHBondContact OD2-OG1 3.21Å; T546-Q548 PolarHBondContact O-N 2.85Å
547	S	90.8	Very high	93.4	Very high	97 Å²	97	74 Å²	74	68%	0.678	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.4	-174.3	-52.5	0	0	0	0	113.2	M542 D543	M542-S547 WeakPolarHBondContact CE-O 3.44Å; D543-S547 PolarHBondContact O-N 2.93Å
548	Q	93.1	Very high	93	Very high	130 Å²	130	69.3 Å²	69.3	61%	0.607	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	161.9	175.5	-69.1	-177.1	8.4	0	0	110.6	M542 D543 T546 K550	M542-Q548 WeakPolarHBondContact CA-O 3.41Å; D543-Q548 PolarHBondContact N-O 2.83Å; T546-Q548 PolarHBondContact O-N 2.85Å; Q548-K550 PolarHBondContact O-N 3.24Å
549	P	94.3	Very high	92.8	Very high	49 Å²	49	66.8 Å²	66.8	32%	0.318	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	120.7	172	-29.6	37.7	0	0	0	111.8	K528 F540 M542 L551	K528-P549 HydrophobicContact CD-CB 4.03Å; K528-P549 HydrophobicContact CG-CB 4.33Å; F540-P549 HydrophobicContact CB-CB 3.84Å; F540-P549 HydrophobicContact CB-CG 3.97Å; F540-P549 HydrophobicContact CD1-CB 4.17Å; F540-P549 HydrophobicContact CD2-CG 4.31Å; F540-P549 HydrophobicContact CG-CB 3.97Å; F540-P549 HydrophobicContact CG-CG 4.08Å; M542-P549 HydrophobicContact SD-CG 4.25Å; P549-L551 PolarHBondContact O-N 2.88Å
550	K	95.8	Very high	92.5	Very high	61 Å²	61	62.1 Å²	62.1	27%	0.265	33%	0.326	S	S	.	.			trans	-63.6	117.9	-173.8	-176.9	173.2	168.1	-168.9	0	110.3	I541 D543 Q548 F552 H565	I541-K550 HydrophobicContact CG2-CD 4.45Å; I541-K550 VanDerWaalsContact O-CB 3.27Å; I541-K550 WeakPolarHBondContact O-CB 3.36Å; I541-K550 PolarHBondContact O-N 2.92Å; D543-K550 HydrophobicContact CB-CB 4.12Å; D543-K550 HydrophobicContact CB-CG 4.27Å; Q548-K550 PolarHBondContact O-N 3.24Å; K550-F552 HydrophobicContact CB-CD2 4.42Å; K550-F552 HydrophobicContact CB-CE2 3.9Å; K550-F552 HydrophobicContact CB-CZ 4.35Å; K550-F552 HydrophobicContact CD-CE1 3.87Å; K550-F552 HydrophobicContact CD-CE2 3.94Å; K550-F552 HydrophobicContact CD-CZ 3.54Å; K550-F552 VanDerWaalsContact CE-CE1 3.41Å; K550-F552 HydrophobicContact CG-CD2 4.15Å; K550-F552 HydrophobicContact CG-CE1 4.37Å; K550-F552 HydrophobicContact CG-CE2 3.82Å; K550-F552 HydrophobicContact CG-CZ 3.96Å; K550-F552 WeakPolarHBondContact O-CD2 3.36Å; K550-F552 PolarHBondContact O-N 3.14Å; K550-H565 PolarHBondContact NZ-O 3.34Å
551	L	95.8	Very high	92.4	Very high	75 Å²	75	58.7 Å²	58.7	39%	0.393	31%	0.312	S	S	.	.			trans	-89	95.8	177.4	-173.7	63.2	0	0	0	109.8	K526 K528 P549 E579	K526-L551 HydrophobicContact CB-CD1 3.98Å; K526-L551 HydrophobicContact CB-CG 4.36Å; K526-L551 HydrophobicContact CD-CD1 4.4Å; K526-L551 HydrophobicContact CD-CD2 3.85Å; K526-L551 HydrophobicContact CD-CG 4.01Å; K528-L551 HydrophobicContact CG-CD1 4.45Å; P549-L551 PolarHBondContact O-N 2.88Å; L551-E579 HydrophobicContact CD1-CB 3.74Å; L551-E579 HydrophobicContact CD1-CG 3.65Å
552	F	95.9	Very high	92.2	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145.7	179.4	-65.1	-97.9	0	0	0	111.2	K526 Y527 V529 I541 K550 R564 F566	K526-F552 VanDerWaalsContact CA-O 3.23Å; K526-F552 WeakPolarHBondContact CA-O 3.1Å; Y527-F552 HydrophobicContact CD1-CB 4.42Å; Y527-F552 HydrophobicContact CD2-CB 3.98Å; Y527-F552 HydrophobicContact CD2-CD2 4.25Å; Y527-F552 HydrophobicContact CD2-CG 4.35Å; Y527-F552 HydrophobicContact CE1-CB 4.13Å; Y527-F552 HydrophobicContact CE2-CB 3.63Å; Y527-F552 HydrophobicContact CE2-CD2 4.05Å; Y527-F552 AromaticContact CE2-CG 3.85Å; Y527-F552 HydrophobicContact CE2-CG 3.85Å; Y527-F552 HydrophobicContact CG-CB 4.35Å; Y527-F552 PolarHBondContact N-O 3.24Å; Y527-F552 PolarHBondContact O-N 2.83Å; V529-F552 HydrophobicContact CB-CE2 4.03Å; V529-F552 HydrophobicContact CG2-CD2 3.94Å; V529-F552 HydrophobicContact CG2-CE2 3.69Å; V529-F552 HydrophobicContact CG2-CZ 4.23Å; I541-F552 HydrophobicContact CG2-CZ 4.21Å; K550-F552 HydrophobicContact CB-CD2 4.42Å; K550-F552 HydrophobicContact CB-CE2 3.9Å; K550-F552 HydrophobicContact CB-CZ 4.35Å; K550-F552 HydrophobicContact CD-CE1 3.87Å; K550-F552 HydrophobicContact CD-CE2 3.94Å; K550-F552 HydrophobicContact CD-CZ 3.54Å; K550-F552 VanDerWaalsContact CE-CE1 3.41Å; K550-F552 HydrophobicContact CG-CD2 4.15Å; K550-F552 HydrophobicContact CG-CE1 4.37Å; K550-F552 HydrophobicContact CG-CE2 3.82Å; K550-F552 HydrophobicContact CG-CZ 3.96Å; K550-F552 WeakPolarHBondContact O-CD2 3.36Å; K550-F552 PolarHBondContact O-N 3.14Å; F552-R564 HydrophobicContact CD1-CB 3.98Å; F552-R564 HydrophobicContact CD1-CG 4.44Å; F552-R564 HydrophobicContact CE1-CB 4.46Å; F552-F566 HydrophobicContact CE1-CB 4.32Å; F552-F566 AromaticContact CE1-CD1 3.8Å; F552-F566 HydrophobicContact CE1-CD1 3.8Å; F552-F566 HydrophobicContact CZ-CB 4.13Å; F552-F566 AromaticContact CZ-CD1 3.66Å; F552-F566 HydrophobicContact CZ-CD1 3.66Å; F552-F566 HydrophobicContact CZ-CG 4.29Å
553	E	94	Very high	92.2	Very high	106 Å²	106	57.5 Å²	57.5	50%	0.495	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.8	162.5	-58	-62.7	173.2	0	0	109.1	K526 R564	K526-E553 VanDerWaalsContact CE-OE2 3.3Å; K526-E553 WeakPolarHBondContact CE-OE2 3.31Å; K526-E553 IonicContact NZ-OE1 2.66Å; K526-E553 PolarHBondContact NZ-OE1 2.82Å; K526-E553 IonicContact NZ-OE2 2.95Å; K526-E553 PolarHBondContact NZ-OE2 2.86Å; E553-R564 PolarHBondContact O-NE 3.12Å; E553-R564 PolarHBondContact O-NH2 2.91Å
554	G	92.8	Very high	92.3	Very high	5 Å²	5	57.9 Å²	57.9	5%	0.052	30%	0.304	C	S	.	.			trans	-95.5	-144.1	173.6	0	0	0	0	0	112.4	V524 R525 R564	V524-G554 CarbonylContact O-C 3.59Å; R525-G554 PolarHBondContact O-N 3.11Å; G554-R564 PolarHBondContact O-NH2 3.15Å
555	N	93.1	Very high	92.5	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.287	C	S	.	.			trans	-81.3	150.8	-174.9	-62.2	82.4	0	0	0	113.4	T504 F523 V524 Q557 T560 E562	T504-N555 VanDerWaalsContact C-OD1 3.31Å; T504-N555 WeakPolarHBondContact CB-OD1 3.39Å; T504-N555 PolarHBondContact O-ND2 3.44Å; T504-N555 PolarHBondContact O-OD1 2.7Å; T504-N555 PolarHBondContact OG1-OD1 2.82Å; F523-N555 HydrophobicContact CB-CB 4.29Å; F523-N555 HydrophobicContact CD2-CB 4.26Å; F523-N555 VanDerWaalsContact CD2-O 3.23Å; F523-N555 WeakPolarHBondContact CD2-O 3.44Å; F523-N555 VanDerWaalsContact CE2-O 3.3Å; F523-N555 WeakPolarHBondContact CE2-O 3.31Å; V524-N555 PolarHBondContact O-N 2.84Å; N555-Q557 WeakPolarHBondContact CB-O 3.21Å; N555-T560 PolarHBondContact ND2-O 2.88Å; N555-E562 HydrophobicContact CB-CG 4.45Å
556	T	88.6	Confident	92.6	Very high	95 Å²	95	47.6 Å²	47.6	58%	0.583	25%	0.25	S	S	*	.	S	Bend	trans	-100	-12.5	172.7	58.1	0	0	0	0	113.2	F523	F523-T556 VanDerWaalsContact CE2-C 3.46Å; F523-T556 WeakPolarHBondContact CE2-O 3.21Å; F523-T556 VanDerWaalsContact CZ-O 3.24Å; F523-T556 WeakPolarHBondContact CZ-O 3.48Å
557	Q	88.9	Confident	92.6	Very high	47 Å²	47	51.2 Å²	51.2	22%	0.22	26%	0.262	C	S	.	.	S	Bend	trans	-148.8	164.8	-176.1	-179.9	65.7	-39.4	0	0	109.8	M374 N555	M374-Q557 HydrophobicContact CB-CG 4.1Å; M374-Q557 HydrophobicContact CG-CB 4.16Å; M374-Q557 HydrophobicContact CG-CG 3.95Å; M374-Q557 HydrophobicContact SD-CB 3.54Å; M374-Q557 VanDerWaalsContact SD-CB 3.54Å; M374-Q557 HydrophobicContact SD-CG 3.97Å; N555-Q557 WeakPolarHBondContact CB-O 3.21Å
558	Y	89.3	Confident	92.6	Very high	6 Å²	6	51.1 Å²	51.1	2%	0.024	25%	0.251	C	S	.	.	S	Bend	trans	-76.7	-37.3	179.4	66.3	-76.2	0	0	0	114.3	D372 G506 R508 R521 R589	D372-Y558 HydrophobicContact CB-CE2 3.88Å; D372-Y558 WeakPolarHBondContact OD1-CE2 3.18Å; D372-Y558 PolarHBondContact OD1-OH 2.72Å; G506-Y558 CarbonylContact C-O 3.58Å; G506-Y558 WeakPolarHBondContact CA-O 3.49Å; G506-Y558 PolarHBondContact N-O 2.88Å; R508-Y558 HydrophobicContact CB-CD2 4.31Å; R521-Y558 HydrophobicContact CB-CD1 3.91Å; R521-Y558 HydrophobicContact CB-CG 4.03Å; R521-Y558 HydrophobicContact CG-CD1 4.09Å; R521-Y558 HydrophobicContact CG-CE1 4.31Å; R521-Y558 HydrophobicContact CG-CG 4.25Å; R521-Y558 PolarHBondContact NH1-OH 3.22Å; Y558-R589 PolarHBondContact O-NH2 3.26Å
559	D	90.9	Very high	92.7	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.011	23%	0.229	C	C	.	.	S	Bend	trans	-80.9	-54.6	176.8	173.6	63.2	0	0	0	113.5	S367 T368 D372 Q505 P561	S367-D559 WeakPolarHBondContact CA-OD2 3.2Å; T368-D559 PolarHBondContact N-OD2 2.88Å; T368-D559 PolarHBondContact OG1-OD1 2.83Å; D372-D559 HydrophobicContact CB-CB 3.8Å; Q505-D559 WeakPolarHBondContact CG-O 3.28Å; Q505-D559 PolarHBondContact NE2-O 2.83Å; D559-P561 WeakPolarHBondContact O-CD 3.27Å
560	T	91.5	Very high	92.7	Very high	2 Å²	2	47 Å²	47	1%	0.012	23%	0.233	C	C	.	.	S	Bend	trans	-70.5	122.3	-164.2	-47.9	0	0	0	0	112.5	V366 M374 V403 N555	V366-T560 HydrophobicContact CG2-CG2 4.15Å; M374-T560 VanDerWaalsContact CB-OG1 3.27Å; M374-T560 WeakPolarHBondContact CB-OG1 3.43Å; M374-T560 HydrophobicContact CE-CG2 3.71Å; M374-T560 WeakPolarHBondContact CE-OG1 3.37Å; M374-T560 PolarHBondContact SD-OG1 3.16Å; V403-T560 HydrophobicContact CG2-CG2 3.51Å; N555-T560 PolarHBondContact ND2-O 2.88Å
561	P	93.9	Very high	92.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.013	22%	0.221	C	C	.	.			trans	-80.8	152.4	-176.8	25.2	-23.5	0	0	0	112.6	L337 T368 L404 L468 I503 T504 Q505 D559	L337-P561 HydrophobicContact CD1-CG 4.19Å; L337-P561 HydrophobicContact CD2-CG 4.14Å; T368-P561 HydrophobicContact CG2-CG 3.81Å; L404-P561 HydrophobicContact CB-CG 3.77Å; L404-P561 HydrophobicContact CD1-CB 4.11Å; L404-P561 HydrophobicContact CD1-CG 4.12Å; L468-P561 HydrophobicContact CD1-CB 3.89Å; L468-P561 HydrophobicContact CD1-CG 4.41Å; I503-P561 HydrophobicContact CG2-CB 3.68Å; T504-P561 CarbonylContact O-C 3.6Å; T504-P561 VanDerWaalsContact O-CA 3.28Å; T504-P561 WeakPolarHBondContact O-CA 3.24Å; Q505-P561 HydrophobicContact CB-CB 4.05Å; Q505-P561 HydrophobicContact CG-CB 4.03Å; D559-P561 WeakPolarHBondContact O-CD 3.27Å
562	E	93	Very high	92.8	Very high	37 Å²	37	42 Å²	42	17%	0.173	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.4	-174.6	-74.5	-77	-178.5	0	0	110.2	I503 T504 N555 R564	I503-E562 WeakPolarHBondContact CA-O 3.32Å; T504-E562 PolarHBondContact N-O 2.97Å; T504-E562 PolarHBondContact O-N 3.45Å; N555-E562 HydrophobicContact CB-CG 4.45Å; E562-R564 VanDerWaalsContact CD-NH2 3.26Å; E562-R564 IonicContact OE1-NH2 2.72Å; E562-R564 IonicContact OE2-CZ 2.65Å; E562-R564 IonicContact OE2-NH1 2.67Å; E562-R564 PolarHBondContact OE2-NH1 3.42Å; E562-R564 IonicContact OE2-NH2 3.16Å; E562-R564 PolarHBondContact OE2-NH2 3.35Å
563	L	93.1	Very high	92.9	Very high	43 Å²	43	43.5 Å²	43.5	23%	0.225	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.8	174.8	174.2	54.8	0	0	0	110.6	L404 I503 L593	L404-L563 HydrophobicContact CD1-CB 4.13Å; I503-L563 HydrophobicContact CG1-CD1 3.93Å; L563-L593 HydrophobicContact CD1-CD1 3.36Å
564	R	93.6	Very high	93.1	Very high	55 Å²	55	38.5 Å²	38.5	21%	0.208	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	117.2	173.6	-61.6	-61.7	177.3	-102.4	-4.8	111.4	G501 V502 Y527 F552 E553 G554 E562	G501-R564 CarbonylContact C-O 3.59Å; G501-R564 WeakPolarHBondContact CA-O 3.47Å; V502-R564 HydrophobicContact CG2-CB 4.47Å; V502-R564 PolarHBondContact N-O 2.03Å; V502-R564 PolarHBondContact O-N 3.09Å; Y527-R564 WeakPolarHBondContact OH-CB 3.46Å; Y527-R564 VanDerWaalsContact OH-CG 3.29Å; Y527-R564 WeakPolarHBondContact OH-CG 3.46Å; F552-R564 HydrophobicContact CD1-CB 3.98Å; F552-R564 HydrophobicContact CD1-CG 4.44Å; F552-R564 HydrophobicContact CE1-CB 4.46Å; E553-R564 PolarHBondContact O-NE 3.12Å; E553-R564 PolarHBondContact O-NH2 2.91Å; G554-R564 PolarHBondContact O-NH2 3.15Å; E562-R564 VanDerWaalsContact CD-NH2 3.26Å; E562-R564 IonicContact OE1-NH2 2.72Å; E562-R564 IonicContact OE2-CZ 2.65Å; E562-R564 IonicContact OE2-NH1 2.67Å; E562-R564 PolarHBondContact OE2-NH1 3.42Å; E562-R564 IonicContact OE2-NH2 3.16Å; E562-R564 PolarHBondContact OE2-NH2 3.35Å
565	H	92.1	Very high	93.3	Very high	81 Å²	81	40 Å²	40	38%	0.375	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	156.7	173.2	-65	-70.5	0	0	0	112.9	R500 K550	R500-H565 WeakPolarHBondContact O-CA 3.37Å; K550-H565 PolarHBondContact NZ-O 3.34Å
566	F	92.6	Very high	93.6	Very high	16 Å²	16	39.8 Å²	39.8	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	177.9	170.1	36.8	-100.2	0	0	0	110.2	V499 R500 V502 V529 I541 F552	V499-F566 HydrophobicContact CB-CE2 4.41Å; V499-F566 HydrophobicContact CG1-CE2 3.85Å; V499-F566 HydrophobicContact CG1-CZ 3.83Å; R500-F566 PolarHBondContact O-N 3.12Å; V502-F566 HydrophobicContact CG1-CE1 4.1Å; V502-F566 HydrophobicContact CG1-CZ 4.27Å; V502-F566 HydrophobicContact CG2-CE1 4.34Å; V529-F566 HydrophobicContact CG1-CE1 4.5Å; I541-F566 HydrophobicContact CD1-CB 4.29Å; I541-F566 HydrophobicContact CD1-CD1 3.74Å; I541-F566 HydrophobicContact CD1-CD2 3.5Å; I541-F566 VanDerWaalsContact CD1-CD2 3.5Å; I541-F566 HydrophobicContact CD1-CE1 3.78Å; I541-F566 HydrophobicContact CD1-CE2 3.53Å; I541-F566 HydrophobicContact CD1-CG 3.58Å; I541-F566 HydrophobicContact CD1-CZ 3.67Å; I541-F566 HydrophobicContact CG2-CB 3.97Å; I541-F566 HydrophobicContact CG2-CG 4.39Å; F552-F566 HydrophobicContact CE1-CB 4.32Å; F552-F566 AromaticContact CE1-CD1 3.8Å; F552-F566 HydrophobicContact CE1-CD1 3.8Å; F552-F566 HydrophobicContact CZ-CB 4.13Å; F552-F566 AromaticContact CZ-CD1 3.66Å; F552-F566 HydrophobicContact CZ-CD1 3.66Å; F552-F566 HydrophobicContact CZ-CG 4.29Å
567	E	90.8	Very high	94	Very high	154 Å²	154	36.4 Å²	36.4	72%	0.72	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.1	171	-174.7	168.4	-166.3	0	0	109.2	T569	E567-T569 PolarHBondContact O-N 2.89Å
568	E	92.8	Very high	94.4	Very high	96 Å²	96	34.3 Å²	34.3	45%	0.449	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	117.4	-168.5	-71.2	171.2	170.4	0	0	111.4	T498 V499 R500	T498-E568 HydrophobicContact CG2-CB 3.96Å; T498-E568 HydrophobicContact CG2-CG 4.38Å; V499-E568 WeakPolarHBondContact O-CA 2.96Å; R500-E568 HydrophobicContact CB-CG 4.04Å; R500-E568 VanDerWaalsContact CD-OE1 3.31Å; R500-E568 WeakPolarHBondContact CD-OE1 2.99Å; R500-E568 HydrophobicContact CG-CG 3.86Å; R500-E568 IonicContact CZ-OE1 2.72Å; R500-E568 IonicContact NE-OE1 2.79Å; R500-E568 IonicContact NH1-OE1 3.38Å; R500-E568 PolarHBondContact NH1-OE1 3.08Å
569	T	93.6	Very high	94.7	Very high	25 Å²	25	35.7 Å²	35.7	15%	0.153	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.4	-178.6	52.8	0	0	0	0	111.2	V499 E567	V499-T569 PolarHBondContact N-O 3.39Å; V499-T569 PolarHBondContact O-N 3.14Å; E567-T569 PolarHBondContact O-N 2.89Å
570	V	95.8	Very high	94.9	Very high	67 Å²	67	43.1 Å²	43.1	41%	0.406	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.2	173.4	-174.2	0	0	0	0	109.1	P496 K497 L533 L597	P496-V570 HydrophobicContact CB-CG1 4.5Å; K497-V570 WeakPolarHBondContact O-CA 3.44Å; L533-V570 HydrophobicContact CD2-CG1 4.13Å; V570-L597 HydrophobicContact CB-CD2 4.47Å; V570-L597 HydrophobicContact CG1-CD1 4.01Å; V570-L597 HydrophobicContact CG1-CD2 3.81Å; V570-L597 HydrophobicContact CG1-CG 4.37Å; V570-L597 HydrophobicContact CG2-CD2 3.83Å
571	A	96.4	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	147.7	-175	0	0	0	0	0	111.5	K497 V499 H531 I574	K497-A571 PolarHBondContact N-O 3.25Å; K497-A571 PolarHBondContact O-N 2.95Å; V499-A571 HydrophobicContact CG2-CB 4.07Å; H531-A571 HydrophobicContact CB-CB 3.85Å; A571-I574 HydrophobicContact CB-CD1 3.66Å; A571-I574 HydrophobicContact CB-CG1 4.48Å
572	Q	96.4	Very high	94.9	Very high	31 Å²	31	45.1 Å²	45.1	15%	0.145	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-37.3	161	175.9	170.7	-18.5	0	0	110.4	D492 L493 G494 P496 S532	D492-Q572 VanDerWaalsContact OD1-CG 3.24Å; D492-Q572 WeakPolarHBondContact OD1-CG 3.46Å; D492-Q572 PolarHBondContact OD1-NE2 3.02Å; L493-Q572 VanDerWaalsContact CB-O 3.32Å; L493-Q572 WeakPolarHBondContact CB-O 3.27Å; L493-Q572 VanDerWaalsContact CG-O 3.3Å; L493-Q572 WeakPolarHBondContact CG-O 3.42Å; L493-Q572 PolarHBondContact N-O 3.15Å; G494-Q572 PolarHBondContact O-NE2 3.46Å; P496-Q572 HydrophobicContact CG-CB 4.41Å; S532-Q572 PolarHBondContact O-N 3.44Å
573	Y	97.9	Very high	94.7	Very high	40 Å²	40	48.9 Å²	48.9	16%	0.157	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.9	-178	-61.3	-90.8	0	0	0	110.4	V491 D492 H531 S532 G535	V491-Y573 WeakPolarHBondContact O-CA 3.46Å; D492-Y573 HydrophobicContact CB-CD1 3.83Å; D492-Y573 HydrophobicContact CB-CE1 3.57Å; D492-Y573 WeakPolarHBondContact OD2-CE1 3.41Å; D492-Y573 PolarHBondContact OD2-OH 3.48Å; H531-Y573 CarbonylContact C-O 3.53Å; H531-Y573 VanDerWaalsContact CA-O 3.27Å; H531-Y573 WeakPolarHBondContact CA-O 3.35Å; S532-Y573 PolarHBondContact N-O 2.77Å; S532-Y573 PolarHBondContact O-N 2.88Å; G535-Y573 VanDerWaalsContact N-CD2 3.33Å
574	I	98.1	Very high	94.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.4	172.3	-60.8	-63.6	0	0	0	109.1	Q490 V491 V499 V529 H531 A571 L576 I592	Q490-I574 CarbonylContact C-O 3.57Å; Q490-I574 VanDerWaalsContact CA-O 3.29Å; Q490-I574 WeakPolarHBondContact CA-O 3.46Å; V491-I574 PolarHBondContact N-O 3.36Å; V491-I574 PolarHBondContact O-N 3.04Å; V499-I574 HydrophobicContact CB-CD1 4.31Å; V499-I574 HydrophobicContact CG1-CD1 4.08Å; V499-I574 HydrophobicContact CG1-CG1 4.29Å; V499-I574 HydrophobicContact CG2-CD1 4.16Å; V499-I574 HydrophobicContact CG2-CG1 4.31Å; V529-I574 HydrophobicContact CG1-CG2 3.96Å; H531-I574 HydrophobicContact CB-CD1 3.74Å; A571-I574 HydrophobicContact CB-CD1 3.66Å; A571-I574 HydrophobicContact CB-CG1 4.48Å; I574-L576 HydrophobicContact CG2-CD1 4Å; I574-I592 HydrophobicContact CB-CD1 4.24Å; I574-I592 HydrophobicContact CG1-CG2 4.39Å; I574-I592 HydrophobicContact CG2-CD1 3.93Å
575	R	97.9	Very high	94	Very high	36 Å²	36	45.8 Å²	45.8	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.2	170	-88.8	179.2	-169.7	175.7	8.3	111.6	W488 L489 Q490 V529 A530 W538 Y577	W488-R575 HydrophobicContact CB-CG 4.36Å; W488-R575 HydrophobicContact CD2-CG 4.34Å; W488-R575 HydrophobicContact CE3-CG 4.07Å; W488-R575 HydrophobicContact CG-CG 4.48Å; L489-R575 CarbonylContact O-C 3.58Å; L489-R575 VanDerWaalsContact O-CA 3.28Å; L489-R575 WeakPolarHBondContact O-CA 3.18Å; Q490-R575 HydrophobicContact CB-CG 3.67Å; Q490-R575 HydrophobicContact CG-CG 4.08Å; Q490-R575 VanDerWaalsContact OE1-CZ 3.25Å; V529-R575 CarbonylContact C-O 3.53Å; V529-R575 WeakPolarHBondContact CA-O 3.36Å; A530-R575 PolarHBondContact N-O 3.38Å; A530-R575 PolarHBondContact O-N 2.9Å; W538-R575 HydrophobicContact CE3-CB 4.26Å; W538-R575 HydrophobicContact CE3-CG 4.33Å; W538-R575 HydrophobicContact CH2-CB 4.16Å; W538-R575 HydrophobicContact CH2-CG 3.51Å; W538-R575 HydrophobicContact CZ2-CG 4.22Å; W538-R575 VanDerWaalsContact CZ2-NE 3.32Å; W538-R575 HydrophobicContact CZ3-CB 3.7Å; W538-R575 HydrophobicContact CZ3-CG 3.59Å; R575-Y577 HydrophobicContact CB-CD2 4.14Å; R575-Y577 HydrophobicContact CB-CE2 3.55Å; R575-Y577 VanDerWaalsContact CD-OH 3.29Å; R575-Y577 WeakPolarHBondContact CD-OH 3.39Å; R575-Y577 HydrophobicContact CG-CE2 4.41Å; R575-Y577 PolarHBondContact NH1-OH 3.32Å
576	L	98	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.4	172.5	-61	89.6	0	0	0	108.8	W488 L489 V502 T504 Y527 V529 I574 M588 V590 I592	W488-L576 WeakPolarHBondContact CA-O 3.35Å; L489-L576 PolarHBondContact N-O 2.81Å; L489-L576 VanDerWaalsContact N-O 3.1Å; L489-L576 PolarHBondContact O-N 3.5Å; V502-L576 HydrophobicContact CB-CD2 4.21Å; V502-L576 HydrophobicContact CG1-CD2 4.23Å; V502-L576 HydrophobicContact CG2-CD2 4.01Å; T504-L576 HydrophobicContact CG2-CD2 3.84Å; Y527-L576 HydrophobicContact CD2-CD2 4.33Å; Y527-L576 HydrophobicContact CE2-CD2 4.11Å; V529-L576 HydrophobicContact CG2-CG 4.47Å; I574-L576 HydrophobicContact CG2-CD1 4Å; L576-M588 HydrophobicContact CB-CE 3.9Å; L576-M588 HydrophobicContact CD2-CE 3.55Å; L576-M588 HydrophobicContact CG-CE 4.3Å; L576-V590 HydrophobicContact CD1-CG2 4.1Å; L576-V590 HydrophobicContact CD2-CG2 4.03Å; L576-I592 HydrophobicContact CD1-CD1 4.3Å
577	Y	97.5	Very high	94	Very high	25 Å²	25	41.4 Å²	41.4	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.8	-175.8	-71	-95.2	0	0	0	109.9	G485 W488 Y527 K528 A530 F540 R575	G485-Y577 WeakPolarHBondContact O-CD1 3.47Å; W488-Y577 HydrophobicContact CB-CD1 3.77Å; W488-Y577 HydrophobicContact CB-CE1 3.67Å; W488-Y577 HydrophobicContact CB-CE2 4.41Å; W488-Y577 HydrophobicContact CB-CG 4.2Å; W488-Y577 AromaticContact CD1-CE1 3.64Å; W488-Y577 HydrophobicContact CG-CD1 4.46Å; W488-Y577 AromaticContact CG-CE1 3.93Å; W488-Y577 HydrophobicContact CG-CE1 3.93Å; Y527-Y577 CarbonylContact C-O 3.52Å; Y527-Y577 WeakPolarHBondContact CA-O 3.35Å; Y527-Y577 VanDerWaalsContact CB-O 3.26Å; Y527-Y577 WeakPolarHBondContact CB-O 3.28Å; K528-Y577 PolarHBondContact N-O 2.92Å; K528-Y577 PolarHBondContact O-N 3.28Å; A530-Y577 HydrophobicContact CB-CD2 4.4Å; A530-Y577 HydrophobicContact CB-CE2 3.82Å; F540-Y577 AromaticContact CE1-CD2 3.82Å; F540-Y577 HydrophobicContact CE1-CD2 3.82Å; F540-Y577 HydrophobicContact CE1-CE2 4.04Å; F540-Y577 HydrophobicContact CE1-CG 4.38Å; F540-Y577 HydrophobicContact CZ-CD2 4.31Å; F540-Y577 HydrophobicContact CZ-CE2 4.21Å; R575-Y577 HydrophobicContact CB-CD2 4.14Å; R575-Y577 HydrophobicContact CB-CE2 3.55Å; R575-Y577 VanDerWaalsContact CD-OH 3.29Å; R575-Y577 WeakPolarHBondContact CD-OH 3.39Å; R575-Y577 HydrophobicContact CG-CE2 4.41Å; R575-Y577 PolarHBondContact NH1-OH 3.32Å
578	P	96.9	Very high	94.1	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.3	179.4	-24.1	37.5	0	0	0	113.3	W475 G485 E487 V524 W581 I586	W475-P578 HydrophobicContact CH2-CG 4.26Å; W475-P578 HydrophobicContact CZ3-CG 3.88Å; G485-P578 PolarHBondContact N-O 3.12Å; E487-P578 VanDerWaalsContact O-CD 3.24Å; E487-P578 WeakPolarHBondContact O-CD 3.34Å; V524-P578 HydrophobicContact CG1-CB 3.95Å; V524-P578 HydrophobicContact CG1-CG 4.45Å; V524-P578 HydrophobicContact CG2-CB 3.98Å; V524-P578 HydrophobicContact CG2-CG 3.98Å; P578-W581 HydrophobicContact CB-CE3 4.24Å; P578-W581 HydrophobicContact CB-CZ3 4.47Å; P578-I586 HydrophobicContact CB-CD1 3.59Å; P578-I586 HydrophobicContact CB-CG1 3.98Å; P578-I586 HydrophobicContact CG-CD1 3.92Å; P578-I586 HydrophobicContact CG-CG1 4.41Å; P578-I586 HydrophobicContact CG-CG2 4.11Å
579	E	95.8	Very high	94.3	Very high	35 Å²	35	30.1 Å²	30.1	16%	0.164	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-29.3	-176	-69.3	-88.9	136.4	0	0	112.5	K526 K528 L551	K526-E579 HydrophobicContact CB-CB 4.32Å; K526-E579 PolarHBondContact O-N 3.34Å; K528-E579 HydrophobicContact CD-CG 4.22Å; K528-E579 WeakPolarHBondContact CD-OE1 3.41Å; K528-E579 VanDerWaalsContact CE-OE1 3.23Å; K528-E579 WeakPolarHBondContact CE-OE1 3.16Å; K528-E579 VanDerWaalsContact CE-OE2 3.27Å; K528-E579 WeakPolarHBondContact CE-OE2 3.5Å; K528-E579 HydrophobicContact CG-CG 4.11Å; K528-E579 IonicContact NZ-OE1 3.42Å; K528-E579 PolarHBondContact NZ-OE1 2.79Å; K528-E579 IonicContact NZ-OE2 2.69Å; K528-E579 PolarHBondContact NZ-OE2 3.41Å; L551-E579 HydrophobicContact CD1-CB 3.74Å; L551-E579 HydrophobicContact CD1-CG 3.65Å
580	R	95	Very high	94.4	Very high	159 Å²	159	28.9 Å²	28.9	60%	0.6	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.5	171.5	-58.4	-170.7	-171.7	179	-0.9	109.9	R525 K526	R525-R580 WeakPolarHBondContact CA-O 3.07Å; R525-R580 HydrophobicContact CB-CB 4.37Å; R525-R580 PolarHBondContact N-O 3.43Å; K526-R580 HydrophobicContact CB-CB 4.11Å; K526-R580 HydrophobicContact CB-CG 4.33Å; K526-R580 HydrophobicContact CD-CG 4.46Å; K526-R580 PolarHBondContact N-O 2.76Å; K526-R580 PolarHBondContact O-N 2.83Å; K526-R580 VanDerWaalsContact O-N 3.15Å
581	W	93.8	Very high	94.4	Very high	39 Å²	39	25.7 Å²	25.7	15%	0.148	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	-178.3	-175	44.3	90.2	0	0	0	112.7	P482 A484 F523 R525 P578 G585 I586	P482-W581 HydrophobicContact CG-CH2 4.16Å; P482-W581 HydrophobicContact CG-CZ2 4.22Å; P482-W581 WeakPolarHBondContact O-CH2 3.31Å; P482-W581 VanDerWaalsContact O-CZ2 3.31Å; P482-W581 WeakPolarHBondContact O-CZ2 3.31Å; A484-W581 HydrophobicContact CB-CH2 4.43Å; A484-W581 HydrophobicContact CB-CZ3 4.47Å; F523-W581 CarbonylContact O-C 3.58Å; F523-W581 VanDerWaalsContact O-CA 3.24Å; F523-W581 WeakPolarHBondContact O-CA 3.36Å; F523-W581 WeakPolarHBondContact O-CB 3.45Å; R525-W581 WeakPolarHBondContact CD-O 2.97Å; P578-W581 HydrophobicContact CB-CE3 4.24Å; P578-W581 HydrophobicContact CB-CZ3 4.47Å; W581-G585 WeakPolarHBondContact CB-O 3.29Å; W581-I586 HydrophobicContact CB-CG1 4.1Å; W581-I586 HydrophobicContact CD2-CD1 4.19Å; W581-I586 HydrophobicContact CD2-CG1 3.62Å; W581-I586 HydrophobicContact CE3-CD1 3.81Å; W581-I586 HydrophobicContact CE3-CG1 3.62Å; W581-I586 HydrophobicContact CG-CG1 3.84Å; W581-I586 HydrophobicContact CH2-CD1 4.43Å; W581-I586 HydrophobicContact CZ3-CD1 3.95Å; W581-I586 HydrophobicContact CZ3-CG1 4.26Å
582	S	91.7	Very high	94.4	Very high	7 Å²	7	25.7 Å²	25.7	5%	0.049	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-75.6	165.6	173.5	101.7	0	0	0	0	111.2	R521 F523 G584 G585	R521-S582 PolarHBondContact O-OG 2.86Å; F523-S582 VanDerWaalsContact CD1-CB 3.49Å; F523-S582 VanDerWaalsContact CE1-CB 3.48Å; F523-S582 PolarHBondContact O-N 2.92Å; S582-G584 PolarHBondContact O-N 2.78Å; S582-G584 VanDerWaalsContact O-N 3.09Å; S582-G584 PolarHBondContact OG-N 2.85Å; S582-G584 VanDerWaalsContact OG-N 3.07Å; S582-G585 PolarHBondContact O-N 3.35Å
583	P	88.1	Confident	94.3	Very high	115 Å²	115	24.2 Å²	24.2	75%	0.747	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.8	173.1	-25.1	35.8	0	0	0	114.5	G585	P583-G585 PolarHBondContact O-N 3.09Å
584	G	84.4	Confident	94	Very high	32 Å²	32	22.3 Å²	22.3	33%	0.33	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	4.8	175.1	0	0	0	0	0	115	S582	S582-G584 PolarHBondContact O-N 2.78Å; S582-G584 VanDerWaalsContact O-N 3.09Å; S582-G584 PolarHBondContact OG-N 2.85Å; S582-G584 VanDerWaalsContact OG-N 3.07Å
585	G	89.3	Confident	93.7	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.021	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	89.8	-168.4	-177.2	0	0	0	0	0	113.2	W581 S582 P583	W581-G585 WeakPolarHBondContact CB-O 3.29Å; S582-G585 PolarHBondContact O-N 3.35Å; P583-G585 PolarHBondContact O-N 3.09Å
586	I	91.4	Very high	93.3	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.026	13%	0.129	C	C	.	.			trans	-75.2	129	170.4	-67	169.8	0	0	0	108.5	W475 F476 P477 P482 V524 P578 W581	W475-I586 HydrophobicContact CE3-CG2 4.2Å; W475-I586 HydrophobicContact CH2-CG2 4.47Å; W475-I586 HydrophobicContact CZ3-CG2 4.02Å; F476-I586 VanDerWaalsContact CD1-O 3.27Å; F476-I586 WeakPolarHBondContact CD1-O 3.36Å; P477-I586 HydrophobicContact CG-CB 3.86Å; P477-I586 HydrophobicContact CG-CD1 4.12Å; P477-I586 HydrophobicContact CG-CG2 4.11Å; P482-I586 HydrophobicContact CG-CD1 3.48Å; P482-I586 VanDerWaalsContact CG-CD1 3.48Å; P482-I586 HydrophobicContact CG-CG1 4.45Å; V524-I586 HydrophobicContact CG2-CG2 4.01Å; P578-I586 HydrophobicContact CB-CD1 3.59Å; P578-I586 HydrophobicContact CB-CG1 3.98Å; P578-I586 HydrophobicContact CG-CD1 3.92Å; P578-I586 HydrophobicContact CG-CG1 4.41Å; P578-I586 HydrophobicContact CG-CG2 4.11Å; W581-I586 HydrophobicContact CB-CG1 4.1Å; W581-I586 HydrophobicContact CD2-CD1 4.19Å; W581-I586 HydrophobicContact CD2-CG1 3.62Å; W581-I586 HydrophobicContact CE3-CD1 3.81Å; W581-I586 HydrophobicContact CE3-CG1 3.62Å; W581-I586 HydrophobicContact CG-CG1 3.84Å; W581-I586 HydrophobicContact CH2-CD1 4.43Å; W581-I586 HydrophobicContact CZ3-CD1 3.95Å; W581-I586 HydrophobicContact CZ3-CG1 4.26Å
587	G	92.3	Very high	92.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.			trans	-146.1	126.3	170.1	0	0	0	0	0	107.3	W475 F523	W475-G587 VanDerWaalsContact O-CA 3.32Å; W475-G587 WeakPolarHBondContact O-CA 3.37Å; F523-G587 WeakPolarHBondContact CA-O 3.27Å
588	M	93.9	Very high	91.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-149.8	134.5	-168.6	-165.4	166.6	-177.7	0	0	113.6	W475 T504 Q505 V524 L576	W475-M588 HydrophobicContact CE3-CB 4.02Å; W475-M588 HydrophobicContact CE3-SD 4.4Å; W475-M588 HydrophobicContact CZ3-SD 4.39Å; W475-M588 PolarHBondContact N-O 2.89Å; W475-M588 PolarHBondContact O-N 3.47Å; W475-M588 VanDerWaalsContact O-N 3.08Å; T504-M588 HydrophobicContact CG2-CE 3.53Å; Q505-M588 WeakPolarHBondContact O-CA 3.47Å; V524-M588 HydrophobicContact CG2-CB 4.22Å; V524-M588 HydrophobicContact CG2-CG 4.33Å; V524-M588 HydrophobicContact CG2-SD 3.87Å; L576-M588 HydrophobicContact CB-CE 3.9Å; L576-M588 HydrophobicContact CD2-CE 3.55Å; L576-M588 HydrophobicContact CG-CE 4.3Å
589	R	95.4	Very high	90.2	Very high	12 Å²	12	40.5 Å²	40.5	5%	0.045	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.8	162.5	-73.6	170.5	-68.7	170.3	5.7	108.2	T465 A466 R467 S471 S473 Q505 G506 Y558	T465-R589 WeakPolarHBondContact O-CG 3.49Å; A466-R589 CarbonylContact O-C 3.6Å; A466-R589 VanDerWaalsContact O-CA 3.24Å; A466-R589 WeakPolarHBondContact O-CA 3.31Å; R467-R589 WeakPolarHBondContact O-CD 3.39Å; R467-R589 WeakPolarHBondContact O-CG 3.36Å; S471-R589 PolarHBondContact O-NH1 3Å; S473-R589 VanDerWaalsContact O-CD 3.29Å; S473-R589 WeakPolarHBondContact O-CD 3.39Å; S473-R589 PolarHBondContact O-NE 3.27Å; Q505-R589 HydrophobicContact CB-CB 4.02Å; Q505-R589 PolarHBondContact N-O 2.04Å; Q505-R589 PolarHBondContact O-N 3Å; G506-R589 VanDerWaalsContact O-CZ 3.31Å; G506-R589 PolarHBondContact O-NE 3.42Å; G506-R589 PolarHBondContact O-NH2 3.3Å; Y558-R589 PolarHBondContact O-NH2 3.26Å
590	V	95.9	Very high	87.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.1	-171.4	65	0	0	0	0	113.4	L441 A466 L468 L489 V491 I503 L576 I592	L441-V590 HydrophobicContact CD1-CG1 4.29Å; A466-V590 PolarHBondContact O-N 3.44Å; L468-V590 PolarHBondContact N-O 2.99Å; L489-V590 HydrophobicContact CD1-CG1 3.93Å; L489-V590 HydrophobicContact CD2-CG1 3.68Å; L489-V590 HydrophobicContact CG-CG1 4.49Å; V491-V590 HydrophobicContact CG2-CG1 4.46Å; I503-V590 WeakPolarHBondContact O-CA 3.22Å; L576-V590 HydrophobicContact CD1-CG2 4.1Å; L576-V590 HydrophobicContact CD2-CG2 4.03Å; V590-I592 HydrophobicContact CG2-CD1 4.18Å
591	E	95.6	Very high	84.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.5	160.3	179.3	59.2	-79.9	0	0	109.2	L438 Q439 L441 M442 L468 V502 I503 L593	L438-E591 HydrophobicContact CB-CG 4.37Å; L438-E591 HydrophobicContact CD2-CG 4.05Å; Q439-E591 PolarHBondContact N-OE1 3.46Å; L441-E591 WeakPolarHBondContact CB-OE1 3.3Å; L441-E591 PolarHBondContact N-OE1 3.01Å; L441-E591 PolarHBondContact N-OE2 2.95Å; M442-E591 WeakPolarHBondContact CB-OE2 3.22Å; M442-E591 PolarHBondContact N-OE2 2.81Å; L468-E591 HydrophobicContact CB-CB 3.83Å; L468-E591 HydrophobicContact CD2-CB 3.46Å; L468-E591 VanDerWaalsContact CD2-CB 3.46Å; L468-E591 HydrophobicContact CD2-CG 4.24Å; L468-E591 HydrophobicContact CG-CB 4.24Å; V502-E591 WeakPolarHBondContact CA-O 3.31Å; I503-E591 HydrophobicContact CB-CB 4.38Å; I503-E591 PolarHBondContact N-O 2.73Å; I503-E591 PolarHBondContact O-N 2.98Å; E591-L593 HydrophobicContact CG-CD2 4.48Å
592	I	96.3	Very high	81.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.3	175.7	-51	-57.1	0	0	0	108.5	Q439 L441 V491 L493 V499 V502 I574 L576 V590	Q439-I592 HydrophobicContact CB-CB 4.17Å; Q439-I592 HydrophobicContact CG-CB 4.22Å; Q439-I592 HydrophobicContact CG-CG2 4.2Å; Q439-I592 WeakPolarHBondContact CG-O 3.49Å; Q439-I592 PolarHBondContact N-O 3.1Å; L441-I592 HydrophobicContact CD1-CG1 3.95Å; V491-I592 HydrophobicContact CB-CD1 4.49Å; V491-I592 HydrophobicContact CB-CG1 4.12Å; V491-I592 HydrophobicContact CG1-CG1 4.03Å; V491-I592 HydrophobicContact CG2-CD1 4.15Å; V491-I592 HydrophobicContact CG2-CG1 4.07Å; L493-I592 HydrophobicContact CD1-CG2 4.5Å; L493-I592 HydrophobicContact CD2-CB 4.33Å; L493-I592 HydrophobicContact CD2-CG1 4.41Å; L493-I592 HydrophobicContact CD2-CG2 4.3Å; V499-I592 HydrophobicContact CG1-CG2 3.61Å; V499-I592 HydrophobicContact CG2-CG2 4.43Å; V502-I592 HydrophobicContact CG1-CD1 3.68Å; I574-I592 HydrophobicContact CB-CD1 4.24Å; I574-I592 HydrophobicContact CG1-CG2 4.39Å; I574-I592 HydrophobicContact CG2-CD1 3.93Å; L576-I592 HydrophobicContact CD1-CD1 4.3Å; V590-I592 HydrophobicContact CG2-CD1 4.18Å
593	L	94.7	Very high	78.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.3	176.4	-60	-173.5	0	0	0	111.4	I430 L438 R500 G501 I503 L563 E591	I430-L593 HydrophobicContact CG2-CD1 3.97Å; I430-L593 HydrophobicContact CG2-CD2 4.04Å; L438-L593 HydrophobicContact CD2-CD2 3.65Å; R500-L593 PolarHBondContact N-O 3.02Å; G501-L593 PolarHBondContact N-O 3.04Å; G501-L593 PolarHBondContact O-N 3.3Å; I503-L593 HydrophobicContact CD1-CD1 4.19Å; I503-L593 HydrophobicContact CD1-CD2 4.06Å; I503-L593 HydrophobicContact CD1-CG 4.34Å; I503-L593 HydrophobicContact CG1-CD1 4.1Å; I503-L593 HydrophobicContact CG1-CD2 4.5Å; I503-L593 HydrophobicContact CG1-CG 4.27Å; L563-L593 HydrophobicContact CD1-CD1 3.36Å; E591-L593 HydrophobicContact CG-CD2 4.48Å
594	G	92.6	Very high	76.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-156.8	-178.6	0	0	0	0	0	113.4	C435 S436 D437 Q439 T498	C435-G594 CarbonylContact C-O 3.56Å; C435-G594 VanDerWaalsContact C-O 3.29Å; C435-G594 CarbonylContact O-C 3.5Å; C435-G594 WeakPolarHBondContact O-CA 3.42Å; C435-G594 VanDerWaalsContact SG-C 3.58Å; S436-G594 PolarHBondContact N-O 3.02Å; D437-G594 WeakPolarHBondContact CB-O 3.36Å; D437-G594 PolarHBondContact N-O 2.77Å; D437-G594 PolarHBondContact O-N 2.97Å; D437-G594 VanDerWaalsContact O-N 3.15Å; Q439-G594 PolarHBondContact NE2-O 2.97Å; T498-G594 CarbonylContact O-C 3.58Å; T498-G594 WeakPolarHBondContact O-CA 3.5Å
595	C	91	Very high	73.4	Confident	22 Å²	22	57.5 Å²	57.5	15%	0.149	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	171.1	172.4	58.5	0	0	0	0	110.2	C435 T498	C435-C595 HydrophobicContact CB-CB 3.89Å; C435-C595 WeakPolarHBondContact CB-SG 3.41Å; C435-C595 WeakPolarHBondContact SG-CB 3.44Å; C435-C595 PolarHBondContact SG-N 2.66Å; C435-C595 CovalentContact SG-SG 2.05Å; C435-C595 PolarHBondContact SG-SG 3.49Å; T498-C595 PolarHBondContact N-O 3.01Å; T498-C595 PolarHBondContact O-N 2.61Å
596	D	90	Very high	70.7	Confident	61 Å²	61	63.9 Å²	63.9	33%	0.326	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-61.6	158.1	170.4	-74.6	-55.7	0	0	0	112	K497	K497-D596 IonicContact NZ-OD1 3.81Å; K497-D596 PolarHBondContact NZ-OD1 2.83Å; K497-D596 IonicContact NZ-OD2 2.73Å
597	L	87.9	Confident	67.7	Low	74 Å²	74	69.7 Å²	69.7	39%	0.387	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-69.5	135.2	171	-78.8	167.3	0	0	0	109.3	P496 V570 E599	P496-L597 HydrophobicContact CB-CD1 3.91Å; V570-L597 HydrophobicContact CB-CD2 4.47Å; V570-L597 HydrophobicContact CG1-CD1 4.01Å; V570-L597 HydrophobicContact CG1-CD2 3.81Å; V570-L597 HydrophobicContact CG1-CG 4.37Å; V570-L597 HydrophobicContact CG2-CD2 3.83Å; L597-E599 PolarHBondContact O-N 2.78Å
598	P	78.8	Confident	64.6	Low	105 Å²	105	75.6 Å²	75.6	68%	0.682	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-61.9	126.7	178.2	25.8	-33.7	0	0	0	109.8	I600	P598-I600 PolarHBondContact O-N 2.95Å
599	E	60.8	Low	61.5	Low	182 Å²	182	81.9 Å²	81.9	85%	0.85	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-56.9	129	177.8	-69.4	-165	150.2	0	0	110.4	L597 S601	L597-E599 PolarHBondContact O-N 2.78Å; E599-S601 PolarHBondContact O-N 2.79Å
600	I	41.8	Very low	58.2	Low	159 Å²	159	87.1 Å²	87.1	82%	0.815	52%	0.518	S	S	*	.			trans	-73.8	78.8	173.3	-53.4	178.7	0	0	0	107.9	P598 T602	P598-I600 PolarHBondContact O-N 2.95Å; I600-T602 VanDerWaalsContact C-N 3.3Å; I600-T602 PolarHBondContact O-N 2.78Å
601	S	33.3	Very low	54.9	Low	104 Å²	104	93.2 Å²	93.2	73%	0.727	56%	0.555	S	S	*	*			trans	-63.3	91.9	169.3	41.8	0	0	0	0	108.7	E599 P603	E599-S601 PolarHBondContact O-N 2.79Å; S601-P603 WeakPolarHBondContact O-CD 3.23Å
602	T	28.8	Very low	51.6	Low	111 Å²	111	99.8 Å²	99.8	68%	0.681	60%	0.595	S	S	*	*			trans	-57	122.8	167.8	48.2	0	0	0	0	107.6	I600 T604	I600-T602 VanDerWaalsContact C-N 3.3Å; I600-T602 PolarHBondContact O-N 2.78Å; T602-T604 PolarHBondContact O-N 2.86Å
603	P	34.6	Very low	48.5	Very low	119 Å²	119	105.1 Å²	105.1	77%	0.773	63%	0.63	S	S	*	*			trans	-65.5	110.2	-171.4	23.6	-33	0	0	0	109.6	S601 T605	S601-P603 WeakPolarHBondContact O-CD 3.23Å; P603-T605 PolarHBondContact O-N 3.5Å
604	T	28.8	Very low	45.2	Very low	130 Å²	130	111.7 Å²	111.7	80%	0.798	67%	0.67	S	S	*	*			trans	-58.9	111.1	177	30.6	0	0	0	0	108.9	T602 T606	T602-T604 PolarHBondContact O-N 2.86Å; T604-T606 PolarHBondContact O-N 2.95Å
605	T	28.4	Very low	42.8	Very low	122 Å²	122	117 Å²	117	75%	0.748	71%	0.705	S	S	*	*			trans	-60.9	123.7	-174.2	-63.3	0	0	0	0	109.6	P603 T607	P603-T605 PolarHBondContact O-N 3.5Å; T605-T607 PolarHBondContact O-N 3.28Å
606	T	32.7	Very low	39.6	Very low	135 Å²	135	125.2 Å²	125.2	83%	0.828	74%	0.741	S	S	*	*			trans	-72.8	84.6	-171	-40.5	0	0	0	0	111.5	T604 T608	T604-T606 PolarHBondContact O-N 2.95Å; T606-T608 PolarHBondContact O-N 2.95Å
607	T	27.8	Very low	36.6	Very low	127 Å²	127	128.2 Å²	128.2	78%	0.779	76%	0.762	S	S	*	*			trans	-85.7	107.4	172.7	50.7	0	0	0	0	110.7	T605	T605-T607 PolarHBondContact O-N 3.28Å
608	T	27	Very low	33.7	Very low	124 Å²	124	131.8 Å²	131.8	76%	0.761	79%	0.787	S	S	*	*			trans	-57.2	146.3	178.6	-33.2	0	0	0	0	112.6	T606	T606-T608 PolarHBondContact O-N 2.95Å
609	T	29	Very low	31.2	Very low	132 Å²	132	132.5 Å²	132.5	81%	0.81	79%	0.789	S	S	*	*			trans	-66.1	129.1	176.7	50.7	0	0	0	0	113.3
610	T	26.3	Very low	29.6	Very low	123 Å²	123	131 Å²	131	76%	0.755	79%	0.792	S	S	*	*			trans	-150.5	117.8	159	-18.2	0	0	0	0	113
611	T	26.9	Very low	28.8	Very low	128 Å²	128	130 Å²	130	79%	0.785	79%	0.787	S	S	*	*			trans	32.6	125.9	150.1	57	0	0	0	0	121.9
612	T	26.1	Very low	28.3	Very low	137 Å²	137	131.4 Å²	131.4	84%	0.84	79%	0.787	S	S	*	*			trans	-67.3	157.8	151.8	48.6	0	0	0	0	111.5
613	P	30.5	Very low	28.2	Very low	112 Å²	112	132.1 Å²	132.1	73%	0.727	79%	0.791	S	S	*	*				-148	143.3	99.6	38	-22	0	0	0	116.3
614	T	26	Very low	27.8	Very low	138 Å²	138	133.2 Å²	133.2	85%	0.847	80%	0.796	S	S	*	*			trans	36.7	155.3	147.1	42.3	0	0	0	0	124.2
615	P	41.9	Very low	27.8	Very low	112 Å²	112	133.5 Å²	133.5	73%	0.727	80%	0.798	S	S	*	*			trans	-100.9	163	-159.4	39.9	-36.6	0	0	0	115.9
616	E	25.5	Very low	27.7	Very low	195 Å²	195	132.4 Å²	132.4	91%	0.911	80%	0.801	S	S	*	*			trans	-127.5	153.9	157.2	-70.8	-162.4	156.6	0	0	111.4
617	T	26.6	Very low	27.6	Very low	124 Å²	124	130.6 Å²	130.6	76%	0.761	80%	0.8	S	S	*	*			trans	-118.6	123.4	-168.6	-55.1	0	0	0	0	111.1
618	T	26.6	Very low	27.6	Very low	149 Å²	149	130.5 Å²	130.5	91%	0.914	80%	0.799	S	S	*	*			trans	-138.9	138.6	161.7	28.5	0	0	0	0	111.5
619	T	25.3	Very low	27.8	Very low	120 Å²	120	129.5 Å²	129.5	74%	0.736	80%	0.795	S	S	*	*			trans	-118.3	133	-171.6	46.2	0	0	0	0	111.7
620	V	27	Very low	28.1	Very low	150 Å²	150	129.3 Å²	129.3	91%	0.909	80%	0.796	S	S	*	*			trans	-140.6	150.3	152.6	-174.6	0	0	0	0	108.2
621	L	24.9	Very low	28.4	Very low	137 Å²	137	128.2 Å²	128.2	72%	0.717	79%	0.793	S	S	*	*			trans	-96	160.5	-168.4	-114.6	69.1	0	0	0	114.1
622	N	24.6	Very low	29.2	Very low	135 Å²	135	127 Å²	127	72%	0.722	79%	0.79	S	S	*	*			trans	70.2	144.1	152.1	-64.6	-2.2	0	0	0	117.7
623	T	24.9	Very low	30.6	Very low	125 Å²	125	124 Å²	124	77%	0.767	77%	0.769	S	S	*	*			cis	-155.1	129.2	-1.2	2.7	0	0	0	0	110.3
624	T	27	Very low	32	Very low	142 Å²	142	121.1 Å²	121.1	87%	0.871	76%	0.759	S	S	*	*			trans	-142.7	129.1	159.9	43	0	0	0	0	109.3
625	T	28.8	Very low	34.1	Very low	137 Å²	137	120.1 Å²	120.1	84%	0.84	75%	0.746	S	S	*	*			trans	-60.4	137.3	172.4	42.1	0	0	0	0	110.8	A627	T625-A627 PolarHBondContact O-N 2.98Å; T625-A627 VanDerWaalsContact O-N 3.16Å
626	A	27.2	Very low	35.9	Very low	99 Å²	99	114.9 Å²	114.9	82%	0.818	71%	0.712	S	S	*	*			trans	-64.4	114.8	169.6	0	0	0	0	0	109.4	T628	A626-T628 PolarHBondContact O-N 2.8Å
627	A	29.6	Very low	38.3	Very low	97 Å²	97	108.7 Å²	108.7	80%	0.802	69%	0.685	S	S	*	*			trans	-77.3	112.3	167.7	0	0	0	0	0	108.3	T625	T625-A627 PolarHBondContact O-N 2.98Å; T625-A627 VanDerWaalsContact O-N 3.16Å
628	T	27.9	Very low	40.9	Very low	124 Å²	124	102.8 Å²	102.8	76%	0.761	65%	0.649	S	S	*	*			trans	-59.3	140.9	172.2	-22.9	0	0	0	0	109.6	A626	A626-T628 PolarHBondContact O-N 2.8Å
629	P	31.3	Very low	43	Very low	104 Å²	104	98 Å²	98	68%	0.675	62%	0.618	S	S	*	*			trans	-58.4	145.1	164.8	26.4	-34.9	0	0	0	109.8	S631	P629-S631 PolarHBondContact O-N 2.84Å
630	P	35.5	Very low	44.8	Very low	127 Å²	127	100.1 Å²	100.1	83%	0.825	62%	0.619	S	S	*	*			trans	-69.1	105.5	-174.7	27	-34.1	0	0	0	111.2	S632	P630-S632 PolarHBondContact O-N 2.8Å
631	S	32.8	Very low	47	Very low	101 Å²	101	97.8 Å²	97.8	71%	0.706	60%	0.601	S	S	*	*			trans	-72.9	117.9	167.9	53.2	0	0	0	0	110.3	P629	P629-S631 PolarHBondContact O-N 2.84Å
632	S	44	Very low	49.4	Very low	101 Å²	101	93.6 Å²	93.6	71%	0.706	58%	0.579	S	S	*	*			trans	45	107.7	160.5	58.4	0	0	0	0	117.9	P630 G634	P630-S632 PolarHBondContact O-N 2.8Å; S632-G634 VanDerWaalsContact C-N 3.32Å; S632-G634 PolarHBondContact O-N 2.85Å
633	L	54.2	Low	51.8	Low	76 Å²	76	89.6 Å²	89.6	40%	0.398	56%	0.562	S	S	.	*			trans	-64.8	96.5	148.4	-83.1	157	0	0	0	107.6	H770 M771	L633-H770 PolarHBondContact O-CD2 2.86Å; L633-H770 VanDerWaalsContact O-CD2 3.22Å; L633-M771 HydrophobicContact CB-CB 4.36Å; L633-M771 HydrophobicContact CD1-CB 4.32Å; L633-M771 HydrophobicContact CD1-CE 4.12Å
634	G	60.2	Low	54.2	Low	51 Å²	51	86 Å²	86	53%	0.526	55%	0.549	S	S	.	.			trans	-62.6	162.3	-176	0	0	0	0	0	113.7	S632	S632-G634 VanDerWaalsContact C-N 3.32Å; S632-G634 PolarHBondContact O-N 2.85Å
635	M	70.4	Confident	56.9	Low	117 Å²	117	79.9 Å²	79.9	58%	0.576	51%	0.51	S	S	*	.			trans	-59.9	138.8	172.5	-177.8	-177.7	-72.3	0	0	110.6	N768 H770	M635-N768 HydrophobicContact SD-CB 4.44Å; M635-H770 HydrophobicContact CB-CB 4.3Å; M635-H770 HydrophobicContact CG-CB 4.45Å
636	C	80.7	Confident	59.6	Low	1 Å²	1	76.9 Å²	76.9	1%	0.007	49%	0.492	C	S	.	.	B	Isolated β-bridge	trans	-111.5	109.9	176.9	-174.3	0	0	0	0	111	F638 C643 N768 L769	C636-F638 VanDerWaalsContact SG-CD1 3.58Å; C636-F638 VanDerWaalsContact SG-CE1 3.56Å; C636-C643 WeakPolarHBondContact CA-SG 3.47Å; C636-C643 HydrophobicContact CB-CB 3.54Å; C636-C643 WeakPolarHBondContact CB-SG 3.28Å; C636-C643 WeakPolarHBondContact SG-CB 3.1Å; C636-C643 CovalentContact SG-SG 2.03Å; C636-C643 PolarHBondContact SG-SG 2.83Å; C636-N768 CarbonylContact O-C 3.44Å; C636-N768 WeakPolarHBondContact O-CA 3.21Å; C636-N768 PolarHBondContact O-N 2.86Å; C636-L769 HydrophobicContact CB-CB 4.32Å; C636-L769 WeakPolarHBondContact CB-O 3.22Å; C636-L769 PolarHBondContact N-O 3.36Å; C636-L769 PolarHBondContact O-N 3.08Å
637	D	75.9	Confident	62.3	Low	66 Å²	66	74.6 Å²	74.6	35%	0.353	46%	0.464	S	S	.	.			trans	-96	1.9	-179.6	54.2	26.7	0	0	0	113.4	D639 N664	D637-D639 HydrophobicContact CB-CB 4.48Å; D637-D639 PolarHBondContact O-N 3.21Å; D637-D639 PolarHBondContact OD1-N 3.18Å; D637-N664 VanDerWaalsContact O-O 3.12Å
638	F	80.1	Confident	64.8	Low	0 Å²	0	71.1 Å²	71.1	0%	0	43%	0.432	C	S	.	.			trans	51.5	13.2	-174.2	-54.8	-63	0	0	0	116.1	C636 H640 D641 L642 R657 N664 L666 L681 L769	C636-F638 VanDerWaalsContact SG-CD1 3.58Å; C636-F638 VanDerWaalsContact SG-CE1 3.56Å; F638-H640 VanDerWaalsContact C-N 3.31Å; F638-H640 PolarHBondContact O-N 2.86Å; F638-D641 WeakPolarHBondContact CA-O 3.4Å; F638-L642 HydrophobicContact CD1-CD2 3.98Å; F638-L642 HydrophobicContact CE1-CD2 4.2Å; F638-R657 WeakPolarHBondContact O-CD 3.46Å; F638-R657 PolarHBondContact O-NH1 2.76Å; F638-N664 WeakPolarHBondContact O-CB 3.46Å; F638-N664 PolarHBondContact O-ND2 2.75Å; F638-N664 VanDerWaalsContact O-ND2 3.1Å; F638-L666 HydrophobicContact CD1-CD1 4.08Å; F638-L666 HydrophobicContact CD1-CG 4.07Å; F638-L666 HydrophobicContact CD2-CD1 4.43Å; F638-L666 HydrophobicContact CD2-CG 3.97Å; F638-L666 HydrophobicContact CE1-CD1 3.56Å; F638-L666 HydrophobicContact CE1-CG 4.02Å; F638-L666 HydrophobicContact CE2-CB 4.33Å; F638-L666 HydrophobicContact CE2-CD1 3.91Å; F638-L666 HydrophobicContact CE2-CG 3.88Å; F638-L666 HydrophobicContact CG-CD1 4.48Å; F638-L666 HydrophobicContact CG-CG 4.04Å; F638-L666 HydrophobicContact CZ-CD1 3.45Å; F638-L666 VanDerWaalsContact CZ-CD1 3.45Å; F638-L666 HydrophobicContact CZ-CG 3.91Å; F638-L681 HydrophobicContact CZ-CD2 4.22Å; F638-L769 HydrophobicContact CE2-CD1 3.75Å; F638-L769 HydrophobicContact CZ-CD1 3.79Å; F638-L769 HydrophobicContact CZ-CD2 3.93Å; F638-L769 HydrophobicContact CZ-CG 4.35Å
639	D	71.1	Confident	66.9	Low	48 Å²	48	71.6 Å²	71.6	26%	0.257	44%	0.437	S	S	.	.	S	Bend	trans	-77.1	-22.4	-165.7	-122.7	-8.7	0	0	0	112.4	D637 N663 N664	D637-D639 HydrophobicContact CB-CB 4.48Å; D637-D639 PolarHBondContact O-N 3.21Å; D637-D639 PolarHBondContact OD1-N 3.18Å; D639-N663 WeakPolarHBondContact OD1-CA 3.26Å; D639-N664 VanDerWaalsContact C-ND2 3.27Å; D639-N664 WeakPolarHBondContact CA-ND2 3.44Å; D639-N664 PolarHBondContact O-ND2 3Å; D639-N664 PolarHBondContact OD1-N 2.8Å
640	H	63.8	Low	68.6	Low	165 Å²	165	69.9 Å²	69.9	76%	0.764	44%	0.438	S	S	*	.	S	Bend	trans	-113	-58.7	174.8	-65.7	-36.7	0	0	0	112.8	F638 R657	F638-H640 VanDerWaalsContact C-N 3.31Å; F638-H640 PolarHBondContact O-N 2.86Å; H640-R657 PolarHBondContact O-NH1 2.86Å; H640-R657 PolarHBondContact O-NH2 2.93Å
641	D	71.2	Confident	70.6	Confident	101 Å²	101	65 Å²	65	54%	0.54	41%	0.409	S	S	.	.	S	Bend	trans	-136.3	-140.4	178	62.2	28.3	0	0	0	112.9	F638 C643 R657	F638-D641 WeakPolarHBondContact CA-O 3.4Å; D641-C643 WeakPolarHBondContact OD1-CA 3.27Å; D641-C643 PolarHBondContact OD1-N 2.78Å; D641-R657 PolarHBondContact O-NH1 2.83Å
642	L	76.9	Confident	72.3	Confident	48 Å²	48	63.4 Å²	63.4	25%	0.251	40%	0.398	S	S	.	.			trans	-108.6	8.3	176.1	-66.8	176.7	0	0	0	112.9	F638 G644 W645 L666	F638-L642 HydrophobicContact CD1-CD2 3.98Å; F638-L642 HydrophobicContact CE1-CD2 4.2Å; L642-G644 PolarHBondContact O-N 3.31Å; L642-G644 VanDerWaalsContact O-N 3.1Å; L642-W645 VanDerWaalsContact CB-O 3.26Å; L642-W645 WeakPolarHBondContact CB-O 3.3Å; L642-W645 WeakPolarHBondContact O-CB 3.12Å; L642-W645 PolarHBondContact O-N 3.02Å; L642-L666 HydrophobicContact CD2-CD1 4.19Å; L642-L666 HydrophobicContact CD2-CD2 3.99Å
643	C	74.4	Confident	73.7	Confident	52 Å²	52	60.5 Å²	60.5	35%	0.351	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	32.6	179.8	-28.1	0	0	0	0	114.1	C636 D641 W645	C636-C643 WeakPolarHBondContact CA-SG 3.47Å; C636-C643 HydrophobicContact CB-CB 3.54Å; C636-C643 WeakPolarHBondContact CB-SG 3.28Å; C636-C643 WeakPolarHBondContact SG-CB 3.1Å; C636-C643 CovalentContact SG-SG 2.03Å; C636-C643 PolarHBondContact SG-SG 2.83Å; D641-C643 WeakPolarHBondContact OD1-CA 3.27Å; D641-C643 PolarHBondContact OD1-N 2.78Å; C643-W645 VanDerWaalsContact C-N 3.35Å
644	G	75.2	Confident	74.8	Confident	49 Å²	49	62 Å²	62	51%	0.505	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-6.1	-175.9	0	0	0	0	0	115.7	L642	L642-G644 PolarHBondContact O-N 3.31Å; L642-G644 VanDerWaalsContact O-N 3.1Å
645	W	84.7	Confident	75.8	Confident	13 Å²	13	59.9 Å²	59.9	5%	0.049	36%	0.358	C	S	.	.			trans	-66.8	146.6	166.3	-65.5	79	0	0	0	110.2	L642 C643 L681 V682 S683 L695 V750 I752 L769 M771	L642-W645 VanDerWaalsContact CB-O 3.26Å; L642-W645 WeakPolarHBondContact CB-O 3.3Å; L642-W645 WeakPolarHBondContact O-CB 3.12Å; L642-W645 PolarHBondContact O-N 3.02Å; C643-W645 VanDerWaalsContact C-N 3.35Å; W645-L681 HydrophobicContact CB-CD1 4.15Å; W645-L681 HydrophobicContact CB-CD2 4.25Å; W645-L681 HydrophobicContact CB-CG 4.1Å; W645-L681 HydrophobicContact CD2-CD2 4.2Å; W645-L681 HydrophobicContact CD2-CG 4.45Å; W645-L681 HydrophobicContact CE3-CD2 3.91Å; W645-L681 HydrophobicContact CE3-CG 3.89Å; W645-L681 HydrophobicContact CG-CD2 4.37Å; W645-V682 CarbonylContact C-O 3.58Å; W645-V682 WeakPolarHBondContact CA-O 3.45Å; W645-V682 VanDerWaalsContact CE3-C 3.45Å; W645-S683 VanDerWaalsContact CE3-CA 3.4Å; W645-S683 VanDerWaalsContact CE3-N 3.31Å; W645-L695 HydrophobicContact CH2-CD1 4.4Å; W645-V750 HydrophobicContact CH2-CB 4.29Å; W645-V750 HydrophobicContact CH2-CG1 4.2Å; W645-I752 HydrophobicContact CH2-CD1 4.2Å; W645-I752 HydrophobicContact CZ3-CD1 4.23Å; W645-I752 HydrophobicContact CZ3-CG1 4.29Å; W645-L769 HydrophobicContact CD2-CD2 3.99Å; W645-L769 HydrophobicContact CE3-CD2 4.22Å; W645-L769 HydrophobicContact CH2-CD2 3.99Å; W645-L769 HydrophobicContact CZ2-CB 4.23Å; W645-L769 HydrophobicContact CZ2-CD2 3.72Å; W645-L769 HydrophobicContact CZ2-CG 4.44Å; W645-L769 HydrophobicContact CZ3-CD2 4.23Å; W645-M771 HydrophobicContact CZ2-CE 3.93Å
646	T	85.4	Confident	76.2	Confident	75 Å²	75	56.9 Å²	56.9	46%	0.46	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.7	-178.1	57	0	0	0	0	110.1	L681 V682	T646-L681 CarbonylContact O-C 3.41Å; T646-V682 PolarHBondContact N-O 3.06Å; T646-V682 PolarHBondContact O-N 3.35Å; T646-V682 PolarHBondContact OG1-O 3.17Å
647	Q	83.6	Confident	75.8	Confident	51 Å²	51	62.4 Å²	62.4	24%	0.238	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.1	175.3	-58.4	-167.1	22.6	0	0	109.4	P649 L654 W655 L681	Q647-P649 WeakPolarHBondContact O-CD 3.29Å; Q647-L654 HydrophobicContact CB-CD2 4.13Å; Q647-L654 VanDerWaalsContact OE1-CB 3.3Å; Q647-W655 PolarHBondContact NE2-O 3.02Å; Q647-W655 PolarHBondContact OE1-O 3.18Å; Q647-L681 HydrophobicContact CG-CD1 3.96Å
648	D	81.9	Confident	75.3	Confident	23 Å²	23	64.9 Å²	64.9	12%	0.123	37%	0.374	C	S	.	.			trans	-68.7	118.4	-176.1	-166.1	-38.9	0	0	0	110.2	G650 A651 R680 V682 R714	D648-G650 PolarHBondContact O-N 2.73Å; D648-G650 VanDerWaalsContact O-N 3.15Å; D648-G650 PolarHBondContact OD1-N 2.87Å; D648-A651 HydrophobicContact CB-CB 4.3Å; D648-A651 VanDerWaalsContact O-CB 3.3Å; D648-A651 WeakPolarHBondContact O-CB 3.33Å; D648-A651 PolarHBondContact O-N 3.23Å; D648-R680 HydrophobicContact CB-CB 3.76Å; D648-R680 PolarHBondContact N-O 3.44Å; D648-R680 VanDerWaalsContact N-O 3.11Å; D648-V682 HydrophobicContact CB-CG2 4.03Å; D648-R714 IonicContact OD2-CZ 3.65Å; D648-R714 IonicContact OD2-NH1 2.67Å; D648-R714 PolarHBondContact OD2-NH1 3.13Å; D648-R714 IonicContact OD2-NH2 3.94Å; D648-R714 PolarHBondContact OD2-NH2 3.49Å
649	P	70.9	Confident	74.2	Confident	134 Å²	134	71.3 Å²	71.3	87%	0.87	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.6	-179.4	29.9	-35.9	0	0	0	113.4	Q647	Q647-P649 WeakPolarHBondContact O-CD 3.29Å
650	G	68.4	Low	73.2	Confident	68 Å²	68	74.2 Å²	74.2	70%	0.701	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.1	170	0	0	0	0	0	114.7	D648	D648-G650 PolarHBondContact O-N 2.73Å; D648-G650 VanDerWaalsContact O-N 3.15Å; D648-G650 PolarHBondContact OD1-N 2.87Å
651	A	76.2	Confident	72.7	Confident	24 Å²	24	71.6 Å²	71.6	20%	0.198	41%	0.414	C	S	.	.			trans	-73.2	147.7	179.5	0	0	0	0	0	112.5	D648 L653 R680	D648-A651 HydrophobicContact CB-CB 4.3Å; D648-A651 VanDerWaalsContact O-CB 3.3Å; D648-A651 WeakPolarHBondContact O-CB 3.33Å; D648-A651 PolarHBondContact O-N 3.23Å; A651-L653 WeakPolarHBondContact CB-O 3.41Å; A651-R680 HydrophobicContact CB-CB 4.37Å; A651-R680 HydrophobicContact CB-CG 4.19Å
652	S	68.3	Low	71.7	Confident	68 Å²	68	72.3 Å²	72.3	48%	0.476	42%	0.417	S	S	.	.	S	Bend	trans	-86.1	-14.6	-180	47.6	0	0	0	0	113.8	Q677 R678	S652-Q677 WeakPolarHBondContact OG-CA 3.42Å; S652-R678 PolarHBondContact N-O 3.35Å; S652-R678 PolarHBondContact OG-N 3.45Å; S652-R678 PolarHBondContact OG-O 2.88Å
653	L	73.3	Confident	70.7	Confident	41 Å²	41	73.5 Å²	73.5	22%	0.215	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-130.6	157.3	166.9	-79.3	166.7	0	0	0	110.2	A651 L668 V670 Q677 R678 A679	A651-L653 WeakPolarHBondContact CB-O 3.41Å; L653-L668 HydrophobicContact CB-CD1 3.93Å; L653-L668 HydrophobicContact CD1-CD1 3.93Å; L653-L668 HydrophobicContact CG-CD1 4.46Å; L653-V670 HydrophobicContact CD1-CG2 4.17Å; L653-Q677 HydrophobicContact CD1-CB 3.51Å; L653-Q677 HydrophobicContact CG-CB 3.83Å; L653-R678 PolarHBondContact N-O 3.1Å; L653-A679 HydrophobicContact CB-CB 3.95Å; L653-A679 VanDerWaalsContact O-CA 3.31Å; L653-A679 WeakPolarHBondContact O-CA 3.46Å; L653-A679 WeakPolarHBondContact O-CB 3.22Å
654	L	78.2	Confident	70.5	Confident	107 Å²	107	71.4 Å²	71.4	56%	0.56	41%	0.409	S	S	*	.			trans	-112.8	140.4	176.3	-67.1	178.1	0	0	0	109.5	Q647 S656	Q647-L654 HydrophobicContact CB-CD2 4.13Å; Q647-L654 VanDerWaalsContact OE1-CB 3.3Å; L654-S656 PolarHBondContact O-N 3.22Å
655	W	81.3	Confident	70.7	Confident	6 Å²	6	70 Å²	70	2%	0.023	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-68.8	117.1	174.6	-74.5	97.5	0	0	0	109	Q647 L666 L668 A679 L709 I764 I766	Q647-W655 PolarHBondContact NE2-O 3.02Å; Q647-W655 PolarHBondContact OE1-O 3.18Å; W655-L666 HydrophobicContact CB-CD1 4.29Å; W655-L666 HydrophobicContact CB-CD2 4.36Å; W655-L666 HydrophobicContact CE3-CB 4.16Å; W655-L668 HydrophobicContact CE3-CB 4.24Å; W655-L668 HydrophobicContact CZ3-CB 4.05Å; W655-A679 HydrophobicContact CD2-CB 4.3Å; W655-A679 HydrophobicContact CG-CB 4.14Å; W655-A679 PolarHBondContact NE1-O 3.18Å; W655-L709 HydrophobicContact CH2-CD1 4.31Å; W655-L709 HydrophobicContact CZ2-CD1 4.41Å; W655-I764 HydrophobicContact CH2-CB 4.35Å; W655-I764 HydrophobicContact CH2-CG2 3.82Å; W655-I764 HydrophobicContact CZ3-CB 4.48Å; W655-I764 HydrophobicContact CZ3-CG2 4.22Å; W655-I766 HydrophobicContact CD2-CD1 4.29Å; W655-I766 HydrophobicContact CE3-CD1 4.21Å; W655-I766 HydrophobicContact CE3-CG1 4.26Å; W655-I766 HydrophobicContact CH2-CD1 3.89Å; W655-I766 HydrophobicContact CH2-CG1 4.2Å; W655-I766 HydrophobicContact CH2-CG2 4.09Å; W655-I766 HydrophobicContact CZ2-CD1 3.98Å; W655-I766 HydrophobicContact CZ3-CD1 4.01Å; W655-I766 HydrophobicContact CZ3-CG1 3.94Å; W655-I766 HydrophobicContact CZ3-CG2 4.38Å
656	S	78.1	Confident	70.5	Confident	54 Å²	54	69.4 Å²	69.4	38%	0.378	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	145.6	178.5	-67.9	0	0	0	0	109.8	L654 L666 Y667	L654-S656 PolarHBondContact O-N 3.22Å; S656-L666 CarbonylContact O-C 3.5Å; S656-L666 WeakPolarHBondContact O-CA 3.47Å; S656-Y667 PolarHBondContact N-O 3.27Å; S656-Y667 WeakPolarHBondContact O-CD1 3.19Å; S656-Y667 PolarHBondContact O-N 3.22Å
657	R	73.8	Confident	70.2	Confident	117 Å²	117	68 Å²	68	44%	0.442	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.4	171.5	-170.9	165.7	67.3	170.4	-1.4	109.8	F638 H640 D641 N664 Y665 L666	F638-R657 WeakPolarHBondContact O-CD 3.46Å; F638-R657 PolarHBondContact O-NH1 2.76Å; H640-R657 PolarHBondContact O-NH1 2.86Å; H640-R657 PolarHBondContact O-NH2 2.93Å; D641-R657 PolarHBondContact O-NH1 2.83Å; R657-N664 HydrophobicContact CG-CB 3.94Å; R657-Y665 WeakPolarHBondContact CA-O 3.38Å; R657-L666 HydrophobicContact CB-CD2 4.11Å
658	R	65.7	Low	70	Confident	118 Å²	118	65.7 Å²	65.7	45%	0.445	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	158.1	170.5	-128.8	-177.7	-170.2	177.7	7.6	109.7	N664 Y665 Y667	R658-N664 WeakPolarHBondContact O-CA 3.36Å; R658-N664 WeakPolarHBondContact O-CB 3.49Å; R658-Y665 HydrophobicContact CB-CD2 4.05Å; R658-Y665 HydrophobicContact CB-CE2 3.39Å; R658-Y665 WeakPolarHBondContact CD-OH 3.42Å; R658-Y665 HydrophobicContact CG-CE2 4.39Å; R658-Y665 PolarHBondContact N-O 2.95Å; R658-Y665 PolarHBondContact O-N 2.03Å; R658-Y665 VanDerWaalsContact O-N 3.14Å; R658-Y667 HydrophobicContact CB-CD1 3.61Å; R658-Y667 HydrophobicContact CB-CE1 3.62Å; R658-Y667 HydrophobicContact CG-CD1 4.11Å; R658-Y667 HydrophobicContact CG-CE1 3.69Å
659	K	55.5	Low	69.3	Low	136 Å²	136	68.2 Å²	68.2	59%	0.591	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.3	170.7	-175.6	168.8	-164.4	74.4	0	109	L662 N664	K659-L662 PolarHBondContact NZ-O 3.39Å; K659-N664 WeakPolarHBondContact CB-OD1 3.47Å; K659-N664 WeakPolarHBondContact CD-OD1 3.34Å; K659-N664 VanDerWaalsContact CG-OD1 3.26Å; K659-N664 WeakPolarHBondContact CG-OD1 3.35Å; K659-N664 PolarHBondContact NZ-OD1 3.39Å
660	Q	51.1	Low	69	Low	109 Å²	109	62.6 Å²	62.6	51%	0.509	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	115.3	-178.2	-174.6	167.9	-18.3	0	0	111.3	L662 N663 Y665	Q660-L662 PolarHBondContact O-N 2.9Å; Q660-N663 PolarHBondContact N-O 2.87Å; Q660-Y665 HydrophobicContact CB-CE1 4Å; Q660-Y665 PolarHBondContact OE1-OH 3.33Å
661	S	51.9	Low	68.5	Low	110 Å²	110	63.3 Å²	63.3	77%	0.769	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-53.6	-177.4	18.6	0	0	0	0	116.6
662	L	50.2	Low	67.3	Low	115 Å²	115	67.5 Å²	67.5	60%	0.602	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144	-55.9	175.4	-98.6	142	0	0	0	111.8	K659 Q660	K659-L662 PolarHBondContact NZ-O 3.39Å; Q660-L662 PolarHBondContact O-N 2.9Å
663	N	57.8	Low	66.5	Low	73 Å²	73	72.4 Å²	72.4	39%	0.39	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	158.2	-179.8	-62.6	40.6	0	0	0	113.8	D639 Q660	D639-N663 WeakPolarHBondContact OD1-CA 3.26Å; Q660-N663 PolarHBondContact N-O 2.87Å
664	N	68.4	Low	65.5	Low	9 Å²	9	75.6 Å²	75.6	5%	0.048	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.4	160	-50	-31.7	0	0	0	110.7	D637 F638 D639 R657 R658 K659	D637-N664 VanDerWaalsContact O-O 3.12Å; F638-N664 WeakPolarHBondContact O-CB 3.46Å; F638-N664 PolarHBondContact O-ND2 2.75Å; F638-N664 VanDerWaalsContact O-ND2 3.1Å; D639-N664 VanDerWaalsContact C-ND2 3.27Å; D639-N664 WeakPolarHBondContact CA-ND2 3.44Å; D639-N664 PolarHBondContact O-ND2 3Å; D639-N664 PolarHBondContact OD1-N 2.8Å; R657-N664 HydrophobicContact CG-CB 3.94Å; R658-N664 WeakPolarHBondContact O-CA 3.36Å; R658-N664 WeakPolarHBondContact O-CB 3.49Å; K659-N664 WeakPolarHBondContact CB-OD1 3.47Å; K659-N664 WeakPolarHBondContact CD-OD1 3.34Å; K659-N664 VanDerWaalsContact CG-OD1 3.26Å; K659-N664 WeakPolarHBondContact CG-OD1 3.35Å; K659-N664 PolarHBondContact NZ-OD1 3.39Å
665	Y	79.5	Confident	64.3	Low	18 Å²	18	75.9 Å²	75.9	7%	0.071	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.8	171.6	49.8	-109.8	0	0	0	110.7	R657 R658 Q660 W734 W765	R657-Y665 WeakPolarHBondContact CA-O 3.38Å; R658-Y665 HydrophobicContact CB-CD2 4.05Å; R658-Y665 HydrophobicContact CB-CE2 3.39Å; R658-Y665 WeakPolarHBondContact CD-OH 3.42Å; R658-Y665 HydrophobicContact CG-CE2 4.39Å; R658-Y665 PolarHBondContact N-O 2.95Å; R658-Y665 PolarHBondContact O-N 2.03Å; R658-Y665 VanDerWaalsContact O-N 3.14Å; Q660-Y665 HydrophobicContact CB-CE1 4Å; Q660-Y665 PolarHBondContact OE1-OH 3.33Å; Y665-W734 HydrophobicContact CD1-CZ2 4.2Å; Y665-W734 HydrophobicContact CG-CH2 4.41Å; Y665-W734 HydrophobicContact CG-CZ2 4.37Å; Y665-W765 AromaticContact CD2-CD1 3.52Å; Y665-W765 HydrophobicContact CD2-CG 4.48Å; Y665-W765 AromaticContact CE2-CD1 3.31Å; Y665-W765 HydrophobicContact CE2-CG 4.46Å; Y665-W765 AromaticContact CE2-NE1 3.57Å
666	L	80.9	Confident	63.3	Low	1 Å²	1	81.6 Å²	81.6	1%	0.005	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.6	169.1	-69.5	-176.4	0	0	0	110.4	F638 L642 W655 S656 R657 L681 W765 I766	F638-L666 HydrophobicContact CD1-CD1 4.08Å; F638-L666 HydrophobicContact CD1-CG 4.07Å; F638-L666 HydrophobicContact CD2-CD1 4.43Å; F638-L666 HydrophobicContact CD2-CG 3.97Å; F638-L666 HydrophobicContact CE1-CD1 3.56Å; F638-L666 HydrophobicContact CE1-CG 4.02Å; F638-L666 HydrophobicContact CE2-CB 4.33Å; F638-L666 HydrophobicContact CE2-CD1 3.91Å; F638-L666 HydrophobicContact CE2-CG 3.88Å; F638-L666 HydrophobicContact CG-CD1 4.48Å; F638-L666 HydrophobicContact CG-CG 4.04Å; F638-L666 HydrophobicContact CZ-CD1 3.45Å; F638-L666 VanDerWaalsContact CZ-CD1 3.45Å; F638-L666 HydrophobicContact CZ-CG 3.91Å; L642-L666 HydrophobicContact CD2-CD1 4.19Å; L642-L666 HydrophobicContact CD2-CD2 3.99Å; W655-L666 HydrophobicContact CB-CD1 4.29Å; W655-L666 HydrophobicContact CB-CD2 4.36Å; W655-L666 HydrophobicContact CE3-CB 4.16Å; S656-L666 CarbonylContact O-C 3.5Å; S656-L666 WeakPolarHBondContact O-CA 3.47Å; R657-L666 HydrophobicContact CB-CD2 4.11Å; L666-L681 HydrophobicContact CD1-CD1 4.01Å; L666-L681 HydrophobicContact CD1-CD2 3.75Å; L666-W765 VanDerWaalsContact O-CA 3.31Å; L666-W765 WeakPolarHBondContact O-CA 3.36Å; L666-I766 HydrophobicContact CB-CD1 4.48Å; L666-I766 HydrophobicContact CB-CG1 3.8Å; L666-I766 HydrophobicContact CD1-CD1 4.42Å; L666-I766 HydrophobicContact CD1-CG1 4.49Å; L666-I766 PolarHBondContact N-O 2.72Å; L666-I766 VanDerWaalsContact N-O 3.15Å; L666-I766 PolarHBondContact O-N 2.91Å
667	Y	79.8	Confident	62.9	Low	45 Å²	45	81.7 Å²	81.7	18%	0.176	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.9	179.2	80.9	-77.6	0	0	0	112.9	S656 R658 D669 I764	S656-Y667 PolarHBondContact N-O 3.27Å; S656-Y667 WeakPolarHBondContact O-CD1 3.19Å; S656-Y667 PolarHBondContact O-N 3.22Å; R658-Y667 HydrophobicContact CB-CD1 3.61Å; R658-Y667 HydrophobicContact CB-CE1 3.62Å; R658-Y667 HydrophobicContact CG-CD1 4.11Å; R658-Y667 HydrophobicContact CG-CE1 3.69Å; Y667-D669 HydrophobicContact CD2-CB 4.02Å; Y667-D669 HydrophobicContact CE2-CB 3.84Å; Y667-I764 CarbonylContact C-O 3.42Å; Y667-I764 VanDerWaalsContact CA-O 3.3Å; Y667-I764 WeakPolarHBondContact CA-O 3.32Å
668	L	79.1	Confident	63.3	Low	3 Å²	3	81.2 Å²	81.2	2%	0.016	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	168.8	-170	63.7	0	0	0	107.9	L653 W655 V670 A679 G754 H763 I764	L653-L668 HydrophobicContact CB-CD1 3.93Å; L653-L668 HydrophobicContact CD1-CD1 3.93Å; L653-L668 HydrophobicContact CG-CD1 4.46Å; W655-L668 HydrophobicContact CE3-CB 4.24Å; W655-L668 HydrophobicContact CZ3-CB 4.05Å; L668-V670 HydrophobicContact CG-CG2 4.37Å; L668-A679 HydrophobicContact CD1-CB 3.61Å; L668-A679 HydrophobicContact CD2-CB 4.33Å; L668-G754 WeakPolarHBondContact CD2-O 3.26Å; L668-H763 VanDerWaalsContact O-CA 3.31Å; L668-H763 WeakPolarHBondContact O-CA 3.26Å; L668-I764 HydrophobicContact CB-CB 4.31Å; L668-I764 HydrophobicContact CD2-CD1 4.39Å; L668-I764 PolarHBondContact N-O 2.99Å; L668-I764 PolarHBondContact O-N 3.14Å
669	D	67.5	Low	64.2	Low	77 Å²	77	75.6 Å²	75.6	41%	0.412	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.6	176.8	-178.4	-2.3	0	0	0	109.2	Y667 H763	Y667-D669 HydrophobicContact CD2-CB 4.02Å; Y667-D669 HydrophobicContact CE2-CB 3.84Å; D669-H763 VanDerWaalsContact CG-CE1 3.5Å; D669-H763 IonicContact OD1-CE1 2.74Å; D669-H763 PolarHBondContact OD1-CE1 3.15Å; D669-H763 VanDerWaalsContact OD1-CE1 3.24Å; D669-H763 IonicContact OD1-ND1 2.84Å; D669-H763 IonicContact OD2-CE1 3.22Å
670	V	64	Low	65.8	Low	16 Å²	16	70.7 Å²	70.7	10%	0.097	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	100.4	178.4	179.3	0	0	0	0	109.5	L653 L668 F756 G762	L653-V670 HydrophobicContact CD1-CG2 4.17Å; L668-V670 HydrophobicContact CG-CG2 4.37Å; V670-F756 HydrophobicContact CB-CD2 4.06Å; V670-F756 HydrophobicContact CG2-CD2 3.56Å; V670-F756 HydrophobicContact CG2-CE2 4.14Å; V670-F756 HydrophobicContact CG2-CG 4.46Å; V670-G762 PolarHBondContact N-O 3.5Å; V670-G762 VanDerWaalsContact N-O 3.14Å
671	S	58	Low	67.7	Low	82 Å²	82	65.5 Å²	65.5	57%	0.573	34%	0.335	S	S	*	.			trans	-83.5	167.3	171.1	74.5	0	0	0	0	112	K673	S671-K673 PolarHBondContact O-N 3.07Å
672	L	50.6	Low	69.4	Low	113 Å²	113	60.5 Å²	60.5	59%	0.592	30%	0.3	S	S	*	.	S	Bend	trans	-66.2	30.9	-163.8	-71.1	162.2	0	0	0	117.4
673	K	52.7	Low	71.3	Confident	170 Å²	170	55 Å²	55	74%	0.739	27%	0.272	S	S	*	.	S	Bend	trans	-138.5	119.2	177.9	-68.2	-173.8	178	179.3	0	112	S671	S671-K673 PolarHBondContact O-N 3.07Å
674	N	51.4	Low	72.7	Confident	109 Å²	109	53.4 Å²	53.4	58%	0.583	27%	0.265	S	S	*	.			trans	88.7	148.9	176.1	-47.3	-21.5	0	0	0	115.1	Q677	N674-Q677 HydrophobicContact CB-CG 4.35Å
675	L	53.8	Low	73.4	Confident	112 Å²	112	56.9 Å²	56.9	59%	0.586	29%	0.286	S	S	*	.	S	Bend	trans	-104.3	156.7	179.8	-77.2	158.3	0	0	0	110.4	Q677	L675-Q677 PolarHBondContact O-N 2.6Å; L675-Q677 VanDerWaalsContact O-N 3.09Å
676	E	60	Low	73.7	Confident	127 Å²	127	56.2 Å²	56.2	59%	0.593	28%	0.284	S	S	*	.	S	Bend	trans	55.5	22.2	170.4	-55.8	-163.7	150.7	0	0	117.4
677	Q	68.3	Low	73.7	Confident	56 Å²	56	59.4 Å²	59.4	26%	0.262	31%	0.305	S	S	.	.			trans	-72.3	141.2	172	-63.3	-167.2	-34.7	0	0	111.6	S652 L653 N674 L675 F755	S652-Q677 WeakPolarHBondContact OG-CA 3.42Å; L653-Q677 HydrophobicContact CD1-CB 3.51Å; L653-Q677 HydrophobicContact CG-CB 3.83Å; N674-Q677 HydrophobicContact CB-CG 4.35Å; L675-Q677 PolarHBondContact O-N 2.6Å; L675-Q677 VanDerWaalsContact O-N 3.09Å; Q677-F755 WeakPolarHBondContact O-CB 3.39Å
678	R	82.8	Confident	73.5	Confident	106 Å²	106	59.3 Å²	59.3	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.7	-175.8	-40.5	-168	-169.8	175.8	1.2	111.2	S652 L653 E753 F755	S652-R678 PolarHBondContact N-O 3.35Å; S652-R678 PolarHBondContact OG-N 3.45Å; S652-R678 PolarHBondContact OG-O 2.88Å; L653-R678 PolarHBondContact N-O 3.1Å; R678-E753 HydrophobicContact CB-CG 4.37Å; R678-E753 WeakPolarHBondContact CD-OE2 3.33Å; R678-E753 IonicContact CZ-OE2 3.24Å; R678-E753 IonicContact NE-OE2 2.72Å; R678-E753 IonicContact NH1-OE1 3.3Å; R678-E753 IonicContact NH1-OE2 3.5Å; R678-E753 PolarHBondContact NH1-OE2 3.35Å; R678-F755 HydrophobicContact CB-CB 3.96Å; R678-F755 HydrophobicContact CG-CB 3.73Å; R678-F755 HydrophobicContact CG-CG 4.13Å
679	A	85.1	Confident	73.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.8	170.5	0	0	0	0	0	110.8	L653 W655 L668 E753 G754	L653-A679 HydrophobicContact CB-CB 3.95Å; L653-A679 VanDerWaalsContact O-CA 3.31Å; L653-A679 WeakPolarHBondContact O-CA 3.46Å; L653-A679 WeakPolarHBondContact O-CB 3.22Å; W655-A679 HydrophobicContact CD2-CB 4.3Å; W655-A679 HydrophobicContact CG-CB 4.14Å; W655-A679 PolarHBondContact NE1-O 3.18Å; L668-A679 HydrophobicContact CD1-CB 3.61Å; L668-A679 HydrophobicContact CD2-CB 4.33Å; A679-E753 WeakPolarHBondContact O-CA 3.42Å; A679-G754 PolarHBondContact N-O 2.73Å; A679-G754 PolarHBondContact O-N 2.83Å
680	R	88.9	Confident	73.3	Confident	34 Å²	34	61.4 Å²	61.4	13%	0.128	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.2	-179.2	-45.8	-171.9	86.1	-169	7.1	111.9	D648 A651 R714 E720 V751 I752 E753	D648-R680 HydrophobicContact CB-CB 3.76Å; D648-R680 PolarHBondContact N-O 3.44Å; D648-R680 VanDerWaalsContact N-O 3.11Å; A651-R680 HydrophobicContact CB-CB 4.37Å; A651-R680 HydrophobicContact CB-CG 4.19Å; R680-R714 VanDerWaalsContact NH1-NH2 3.15Å; R680-E720 IonicContact CZ-OE1 2.78Å; R680-E720 IonicContact CZ-OE2 2.61Å; R680-E720 VanDerWaalsContact CZ-OE2 3.29Å; R680-E720 VanDerWaalsContact NH1-CD 3.32Å; R680-E720 IonicContact NH1-OE1 3.31Å; R680-E720 PolarHBondContact NH1-OE1 2.85Å; R680-E720 IonicContact NH1-OE2 3.3Å; R680-E720 PolarHBondContact NH1-OE2 3.45Å; R680-E720 IonicContact NH2-OE1 3.72Å; R680-E720 PolarHBondContact NH2-OE1 3.4Å; R680-E720 IonicContact NH2-OE2 2.86Å; R680-E720 PolarHBondContact NH2-OE2 3Å; R680-V751 HydrophobicContact CB-CG1 4.12Å; R680-I752 CarbonylContact C-O 3.58Å; R680-I752 VanDerWaalsContact CA-O 3.3Å; R680-I752 WeakPolarHBondContact CA-O 3.3Å; R680-E753 HydrophobicContact CG-CB 4.29Å; R680-E753 HydrophobicContact CG-CG 4.25Å; R680-E753 IonicContact NE-OE2 3.55Å
681	L	90.1	Very high	73.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130	176.1	-169.5	76.5	0	0	0	108.6	F638 W645 T646 Q647 L666 V751 I752 I766 L769	F638-L681 HydrophobicContact CZ-CD2 4.22Å; W645-L681 HydrophobicContact CB-CD1 4.15Å; W645-L681 HydrophobicContact CB-CD2 4.25Å; W645-L681 HydrophobicContact CB-CG 4.1Å; W645-L681 HydrophobicContact CD2-CD2 4.2Å; W645-L681 HydrophobicContact CD2-CG 4.45Å; W645-L681 HydrophobicContact CE3-CD2 3.91Å; W645-L681 HydrophobicContact CE3-CG 3.89Å; W645-L681 HydrophobicContact CG-CD2 4.37Å; T646-L681 CarbonylContact O-C 3.41Å; Q647-L681 HydrophobicContact CG-CD1 3.96Å; L666-L681 HydrophobicContact CD1-CD1 4.01Å; L666-L681 HydrophobicContact CD1-CD2 3.75Å; L681-V751 CarbonylContact O-C 3.59Å; L681-V751 VanDerWaalsContact O-CA 3.31Å; L681-V751 WeakPolarHBondContact O-CA 3.16Å; L681-I752 PolarHBondContact N-O 3.14Å; L681-I752 PolarHBondContact O-N 2.98Å; L681-I766 HydrophobicContact CD2-CD1 4.18Å; L681-L769 HydrophobicContact CD2-CD2 3.85Å
682	V	89.3	Confident	74.4	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.9	-170.1	-175.2	0	0	0	0	109.7	W645 T646 D648 Q749 V750 V751	W645-V682 CarbonylContact C-O 3.58Å; W645-V682 WeakPolarHBondContact CA-O 3.45Å; W645-V682 VanDerWaalsContact CE3-C 3.45Å; T646-V682 PolarHBondContact N-O 3.06Å; T646-V682 PolarHBondContact O-N 3.35Å; T646-V682 PolarHBondContact OG1-O 3.17Å; D648-V682 HydrophobicContact CB-CG2 4.03Å; V682-Q749 HydrophobicContact CG1-CB 4.05Å; V682-Q749 HydrophobicContact CG1-CG 4.4Å; V682-V750 WeakPolarHBondContact CA-O 3.36Å; V682-V751 HydrophobicContact CG1-CG2 4.25Å; V682-V751 HydrophobicContact CG2-CG1 4.15Å; V682-V751 HydrophobicContact CG2-CG2 4.2Å
683	S	90.3	Very high	76	Confident	1 Å²	1	55 Å²	55	1%	0.007	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-70.6	165.7	-177.3	76	0	0	0	0	113.3	W645 Q749 V750	W645-S683 VanDerWaalsContact CE3-CA 3.4Å; W645-S683 VanDerWaalsContact CE3-N 3.31Å; S683-Q749 PolarHBondContact O-NE2 2.87Å; S683-V750 PolarHBondContact N-O 2.74Å; S683-V750 PolarHBondContact OG-N 2.8Å
684	P	85.7	Confident	77.6	Confident	39 Å²	39	47.1 Å²	47.1	25%	0.253	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-50	154.4	154.1	-24	33.9	0	0	0	111.7	V686	P684-V686 PolarHBondContact O-N 3.12Å
685	V	83.6	Confident	79.3	Confident	82 Å²	82	42 Å²	42	50%	0.497	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-65.6	124.9	174.6	-179.7	0	0	0	0	109.7	E747 Q749	V685-E747 HydrophobicContact CG1-CB 3.86Å; V685-Q749 HydrophobicContact CG2-CG 4.07Å
686	V	85.4	Confident	81	Confident	3 Å²	3	38 Å²	38	2%	0.018	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-89.5	123.8	174.6	-177.8	0	0	0	0	108.1	P684 A690 L693 E747 F748 M771	P684-V686 PolarHBondContact O-N 3.12Å; V686-A690 HydrophobicContact CG1-CB 3.75Å; V686-L693 HydrophobicContact CG1-CD1 4.15Å; V686-E747 WeakPolarHBondContact O-CA 3.38Å; V686-F748 HydrophobicContact CB-CD1 4.26Å; V686-F748 HydrophobicContact CB-CD2 4.17Å; V686-F748 HydrophobicContact CB-CE1 3.94Å; V686-F748 HydrophobicContact CB-CE2 3.82Å; V686-F748 HydrophobicContact CB-CG 4.39Å; V686-F748 HydrophobicContact CB-CZ 3.72Å; V686-F748 HydrophobicContact CG1-CD1 4.41Å; V686-F748 HydrophobicContact CG1-CE1 3.65Å; V686-F748 HydrophobicContact CG1-CE2 4Å; V686-F748 HydrophobicContact CG1-CZ 3.41Å; V686-F748 VanDerWaalsContact CG1-CZ 3.41Å; V686-F748 HydrophobicContact CG2-CE2 4.04Å; V686-F748 HydrophobicContact CG2-CZ 4.31Å; V686-F748 PolarHBondContact N-O 2.96Å; V686-F748 PolarHBondContact O-N 3.33Å; V686-F748 VanDerWaalsContact O-N 3.11Å; V686-M771 HydrophobicContact CG2-SD 4.44Å
687	P	81.5	Confident	82.3	Confident	68 Å²	68	32 Å²	32	44%	0.442	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-72.3	154.7	-172.6	28.1	-34.5	0	0	0	112.7	A690	P687-A690 HydrophobicContact CG-CB 4.3Å; P687-A690 WeakPolarHBondContact O-CB 3.32Å; P687-A690 PolarHBondContact O-N 3.34Å; P687-A690 VanDerWaalsContact O-N 3.12Å
688	A	74.6	Confident	83.2	Confident	43 Å²	43	30.4 Å²	30.4	36%	0.355	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	137.7	-178.8	0	0	0	0	0	113.2	A690 K746 E747	A688-A690 PolarHBondContact O-N 3.34Å; A688-K746 WeakPolarHBondContact CA-O 3.25Å; A688-E747 HydrophobicContact CB-CG 4.29Å
689	N	74.2	Confident	83.5	Confident	97 Å²	97	25.4 Å²	25.4	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	5.4	-175.4	-53.4	-82.1	0	0	0	116.2	R743 S744	N689-R743 PolarHBondContact O-NE 3.41Å; N689-S744 VanDerWaalsContact CA-O 3.31Å; N689-S744 WeakPolarHBondContact CA-O 3.34Å; N689-S744 PolarHBondContact N-O 2.76Å
690	A	69.9	Low	83.5	Confident	27 Å²	27	27 Å²	27	22%	0.223	17%	0.168	C	C	.	.			trans	-62.7	146.4	167.1	0	0	0	0	0	111.3	V686 P687 A688 R743	V686-A690 HydrophobicContact CG1-CB 3.75Å; P687-A690 HydrophobicContact CG-CB 4.3Å; P687-A690 WeakPolarHBondContact O-CB 3.32Å; P687-A690 PolarHBondContact O-N 3.34Å; P687-A690 VanDerWaalsContact O-N 3.12Å; A688-A690 PolarHBondContact O-N 3.34Å; A690-R743 WeakPolarHBondContact O-CA 3.35Å
691	G	65.8	Low	83.4	Confident	17 Å²	17	25.4 Å²	25.4	18%	0.175	16%	0.162	C	C	.	.			trans	91.5	-165.1	176.7	0	0	0	0	0	115.7	R743	G691-R743 VanDerWaalsContact O-CZ 3.24Å; G691-R743 PolarHBondContact O-NE 2.95Å; G691-R743 PolarHBondContact O-NH2 2.02Å
692	P	77.7	Confident	82.7	Confident	50 Å²	50	31.1 Å²	31.1	33%	0.325	18%	0.184	S	C	.	.			cis	-58.5	143.3	1.3	28	-37	0	0	0	111.9	I740 V741 L777	P692-I740 HydrophobicContact CB-CG2 4.23Å; P692-V741 WeakPolarHBondContact CA-O 3.26Å; P692-L777 HydrophobicContact CB-CD2 3.87Å; P692-L777 HydrophobicContact CG-CD1 3.85Å; P692-L777 HydrophobicContact CG-CD2 3.8Å; P692-L777 HydrophobicContact CG-CG 4.4Å
693	L	84.6	Confident	81.9	Confident	11 Å²	11	31.2 Å²	31.2	6%	0.058	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151.1	-179	-54	173.6	0	0	0	109.3	V686 V741 S772 A773	V686-L693 HydrophobicContact CG1-CD1 4.15Å; L693-V741 HydrophobicContact CB-CB 4.23Å; L693-V741 PolarHBondContact N-O 2.88Å; L693-V741 PolarHBondContact O-N 2.95Å; L693-S772 CarbonylContact C-O 3.54Å; L693-S772 WeakPolarHBondContact CA-O 3.2Å; L693-A773 HydrophobicContact CD2-CB 3.6Å
694	C	86.3	Confident	80.8	Confident	4 Å²	4	37 Å²	37	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.6	164.1	-167.3	0	0	0	0	109.7	M771 S772 C780	C694-M771 WeakPolarHBondContact O-CA 3.17Å; C694-S772 PolarHBondContact N-O 2.83Å; C694-S772 PolarHBondContact O-N 3.02Å; C694-C780 WeakPolarHBondContact CA-SG 3.28Å; C694-C780 HydrophobicContact CB-CB 3.78Å; C694-C780 WeakPolarHBondContact CB-SG 3.39Å; C694-C780 WeakPolarHBondContact SG-CB 3.32Å; C694-C780 CovalentContact SG-SG 2.04Å; C694-C780 PolarHBondContact SG-SG 3.18Å
695	L	88.4	Confident	79.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126	165.4	179.3	74.9	0	0	0	108.3	W645 F697 V711 R738 T739 V741 V750 H770 M771	W645-L695 HydrophobicContact CH2-CD1 4.4Å; L695-F697 HydrophobicContact CD2-CD1 4.11Å; L695-F697 HydrophobicContact CD2-CE1 4.16Å; L695-F697 HydrophobicContact CG-CD1 4.14Å; L695-V711 HydrophobicContact CD2-CG1 3.67Å; L695-V711 HydrophobicContact CD2-CG2 4.3Å; L695-R738 WeakPolarHBondContact O-CA 3.37Å; L695-T739 HydrophobicContact CB-CG2 4.11Å; L695-T739 HydrophobicContact CD2-CG2 4.02Å; L695-T739 PolarHBondContact N-O 2.63Å; L695-T739 PolarHBondContact O-N 3.08Å; L695-V741 HydrophobicContact CB-CG2 3.89Å; L695-V750 HydrophobicContact CD2-CG1 3.92Å; L695-H770 WeakPolarHBondContact CA-O 3.24Å; L695-M771 HydrophobicContact CD1-CG 3.55Å; L695-M771 HydrophobicContact CD1-SD 4.32Å
696	L	87.8	Confident	79.4	Confident	30 Å²	30	35.7 Å²	35.7	16%	0.157	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141	174.6	-60.6	167.9	0	0	0	108.6	R738 L769 H770	L696-R738 HydrophobicContact CD2-CB 3.78Å; L696-L769 WeakPolarHBondContact O-CA 3.39Å; L696-H770 HydrophobicContact CB-CB 4.47Å; L696-H770 PolarHBondContact N-O 2.93Å; L696-H770 PolarHBondContact O-N 2.9Å
697	F	89.1	Confident	79	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	144.4	172.9	57	-85.5	0	0	0	111.3	L695 Y699 L709 V711 W724 E736 G737 L769	L695-F697 HydrophobicContact CD2-CD1 4.11Å; L695-F697 HydrophobicContact CD2-CE1 4.16Å; L695-F697 HydrophobicContact CG-CD1 4.14Å; F697-Y699 HydrophobicContact CD2-CD1 4.17Å; F697-Y699 AromaticContact CE2-CD1 3.82Å; F697-Y699 HydrophobicContact CE2-CD1 3.82Å; F697-Y699 HydrophobicContact CE2-CG 4.44Å; F697-L709 HydrophobicContact CE2-CD2 3.76Å; F697-V711 HydrophobicContact CE1-CG2 3.98Å; F697-V711 HydrophobicContact CZ-CG2 4.07Å; F697-W724 AromaticContact CE2-CH2 3.96Å; F697-W724 HydrophobicContact CE2-CH2 3.96Å; F697-W724 HydrophobicContact CE2-CZ3 4.17Å; F697-W724 HydrophobicContact CZ-CD2 4.27Å; F697-W724 HydrophobicContact CZ-CE3 4.01Å; F697-W724 AromaticContact CZ-CH2 3.7Å; F697-W724 HydrophobicContact CZ-CH2 3.7Å; F697-W724 HydrophobicContact CZ-CZ2 4Å; F697-W724 AromaticContact CZ-CZ3 3.72Å; F697-W724 HydrophobicContact CZ-CZ3 3.72Å; F697-E736 CarbonylContact O-C 3.54Å; F697-E736 WeakPolarHBondContact O-CA 3.5Å; F697-G737 WeakPolarHBondContact CD1-O 3.35Å; F697-G737 PolarHBondContact N-O 2.93Å; F697-G737 PolarHBondContact O-N 2.78Å; F697-L769 HydrophobicContact CB-CD1 3.86Å; F697-L769 HydrophobicContact CB-CG 4Å
698	S	87.1	Confident	79.3	Confident	22 Å²	22	32.7 Å²	32.7	15%	0.154	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	142.1	165.9	-53.5	0	0	0	0	110.2	K735 I766 D767 N768	S698-K735 CarbonylContact C-O 3.6Å; S698-K735 WeakPolarHBondContact CA-O 3.37Å; S698-I766 WeakPolarHBondContact O-CA 3.24Å; S698-D767 WeakPolarHBondContact CA-O 3.47Å; S698-D767 WeakPolarHBondContact CB-O 3.28Å; S698-D767 PolarHBondContact N-O 3.42Å; S698-D767 PolarHBondContact O-N 2.9Å; S698-N768 PolarHBondContact OG-ND2 3.46Å
699	Y	88.6	Confident	80	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.9	170.3	71.8	-89.3	0	0	0	112.3	F697 M701 L709 W724 L726 W734 K735 E736 W765	F697-Y699 HydrophobicContact CD2-CD1 4.17Å; F697-Y699 AromaticContact CE2-CD1 3.82Å; F697-Y699 HydrophobicContact CE2-CD1 3.82Å; F697-Y699 HydrophobicContact CE2-CG 4.44Å; Y699-M701 HydrophobicContact CD2-CE 3.81Å; Y699-M701 HydrophobicContact CD2-CG 4.47Å; Y699-M701 HydrophobicContact CE2-CE 3.86Å; Y699-L709 HydrophobicContact CG-CD2 4.19Å; Y699-W724 HydrophobicContact CD1-CH2 4.46Å; Y699-W724 HydrophobicContact CE1-CH2 4.2Å; Y699-W724 HydrophobicContact CE1-CZ2 4.36Å; Y699-L726 HydrophobicContact CD2-CD2 4.2Å; Y699-L726 HydrophobicContact CE1-CD2 4.02Å; Y699-L726 HydrophobicContact CE2-CD2 3.32Å; Y699-L726 WeakPolarHBondContact OH-CD2 3.46Å; Y699-W734 VanDerWaalsContact C-CE3 3.4Å; Y699-W734 WeakPolarHBondContact O-CA 3.35Å; Y699-K735 HydrophobicContact CD1-CB 4.39Å; Y699-K735 WeakPolarHBondContact CD1-O 3.33Å; Y699-K735 HydrophobicContact CD2-CB 4.49Å; Y699-K735 HydrophobicContact CE1-CB 3.77Å; Y699-K735 HydrophobicContact CE2-CB 3.85Å; Y699-K735 HydrophobicContact CE2-CD 3.91Å; Y699-K735 HydrophobicContact CE2-CG 4.44Å; Y699-K735 VanDerWaalsContact CZ-CB 3.44Å; Y699-K735 PolarHBondContact N-O 3.45Å; Y699-K735 PolarHBondContact O-N 3.41Å; Y699-K735 WeakPolarHBondContact OH-CB 3.2Å; Y699-K735 WeakPolarHBondContact OH-CD 3.33Å; Y699-E736 WeakPolarHBondContact CE1-O 3.05Å; Y699-W765 CarbonylContact C-O 3.59Å; Y699-W765 VanDerWaalsContact CA-O 3.22Å; Y699-W765 WeakPolarHBondContact CA-O 3.36Å
700	Q	85.7	Confident	80.8	Confident	33 Å²	33	26.8 Å²	26.8	15%	0.154	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.8	173.2	-176.1	-168.8	39.6	0	0	107.8	T731 M732 W734 W765	Q700-T731 WeakPolarHBondContact CG-O 3.42Å; Q700-M732 PolarHBondContact NE2-O 2.76Å; Q700-W734 HydrophobicContact CB-CD2 3.98Å; Q700-W734 HydrophobicContact CB-CE3 3.83Å; Q700-W734 HydrophobicContact CB-CG 4.5Å; Q700-W734 HydrophobicContact CB-CZ3 4.21Å; Q700-W765 HydrophobicContact CB-CB 4.2Å; Q700-W765 HydrophobicContact CB-CE3 3.87Å; Q700-W765 HydrophobicContact CG-CE3 3.71Å; Q700-W765 HydrophobicContact CG-CZ3 4.06Å; Q700-W765 PolarHBondContact N-O 3.16Å; Q700-W765 PolarHBondContact O-N 2.86Å; Q700-W765 VanDerWaalsContact OE1-CE3 3.23Å
701	M	85.1	Confident	81.9	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121	-176.7	-71.9	-167.7	-83	0	0	112.2	Y699 L709 L726 D728 T731 H763 I764	Y699-M701 HydrophobicContact CD2-CE 3.81Å; Y699-M701 HydrophobicContact CD2-CG 4.47Å; Y699-M701 HydrophobicContact CE2-CE 3.86Å; M701-L709 HydrophobicContact CE-CB 4.25Å; M701-L709 HydrophobicContact SD-CB 4.28Å; M701-L726 HydrophobicContact CE-CD2 3.56Å; M701-L726 HydrophobicContact CE-CG 3.96Å; M701-D728 HydrophobicContact CE-CB 3.79Å; M701-T731 CarbonylContact C-O 3.56Å; M701-T731 WeakPolarHBondContact CA-OG1 3.05Å; M701-T731 PolarHBondContact N-OG1 2.92Å; M701-T731 CarbonylContact O-C 3.29Å; M701-T731 WeakPolarHBondContact O-CA 3.15Å; M701-T731 PolarHBondContact O-N 3.03Å; M701-T731 PolarHBondContact O-OG1 2.81Å; M701-H763 WeakPolarHBondContact CA-O 3.17Å; M701-I764 HydrophobicContact CG-CB 4.23Å; M701-I764 HydrophobicContact CG-CG1 3.98Å; M701-I764 HydrophobicContact CG-CG2 3.88Å; M701-I764 HydrophobicContact SD-CD1 4.17Å; M701-I764 HydrophobicContact SD-CG1 4.02Å; M701-I764 HydrophobicContact SD-CG2 4.17Å
702	W	77	Confident	83.1	Confident	120 Å²	120	26 Å²	26	46%	0.455	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.2	178.5	173.2	21.4	0	0	0	110.3	M732 H763 W765	W702-M732 HydrophobicContact CD2-CE 4.08Å; W702-M732 HydrophobicContact CD2-CG 4.3Å; W702-M732 HydrophobicContact CE3-CE 4.03Å; W702-M732 HydrophobicContact CE3-CG 4.17Å; W702-M732 HydrophobicContact CH2-CE 3.4Å; W702-M732 HydrophobicContact CZ2-CE 3.42Å; W702-M732 VanDerWaalsContact CZ2-CE 3.42Å; W702-M732 HydrophobicContact CZ3-CE 3.7Å; W702-H763 PolarHBondContact N-O 3.16Å; W702-H763 VanDerWaalsContact N-O 3.12Å; W702-H763 PolarHBondContact O-N 3.42Å; W702-W765 HydrophobicContact CB-CZ3 4.12Å; W702-W765 HydrophobicContact CE3-CH2 4.46Å
703	G	71.6	Confident	83.7	Confident	6 Å²	6	24.6 Å²	24.6	6%	0.062	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	176.1	171.9	0	0	0	0	0	114.2	S705 N729 R761	G703-S705 PolarHBondContact O-N 2.79Å; G703-N729 PolarHBondContact N-O 3.01Å; G703-R761 CarbonylContact C-O 3.6Å; G703-R761 VanDerWaalsContact CA-O 3.24Å; G703-R761 WeakPolarHBondContact CA-O 3.44Å
704	D	66.4	Low	83.9	Confident	122 Å²	122	25.1 Å²	25.1	65%	0.652	12%	0.123	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	6.8	166	-58.5	-41.9	0	0	0	111.6	T760 R761	D704-T760 PolarHBondContact O-OG1 3.19Å; D704-R761 PolarHBondContact N-O 3.01Å
705	S	66.8	Low	83.8	Confident	10 Å²	10	26.4 Å²	26.4	7%	0.07	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.4	174.4	48.5	0	0	0	0	111	G703 G707 F756 T760	G703-S705 PolarHBondContact O-N 2.79Å; S705-G707 PolarHBondContact O-N 3.25Å; S705-F756 WeakPolarHBondContact OG-CD1 3.29Å; S705-T760 WeakPolarHBondContact CB-OG1 3.49Å; S705-T760 PolarHBondContact N-OG1 3.47Å; S705-T760 PolarHBondContact OG-OG1 3.35Å
706	Q	73.2	Confident	83.4	Confident	84 Å²	84	31.1 Å²	31.1	39%	0.393	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	122.8	177.2	-164.8	171.2	37.2	0	0	110.6	R727 D728 N729 F756	Q706-R727 HydrophobicContact CG-CB 3.99Å; Q706-R727 PolarHBondContact NE2-O 3.35Å; Q706-D728 WeakPolarHBondContact CA-O 3.46Å; Q706-D728 WeakPolarHBondContact CG-O 3.44Å; Q706-N729 HydrophobicContact CB-CB 4.45Å; Q706-F756 WeakPolarHBondContact O-CD1 3.24Å
707	G	78.4	Confident	83	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.3	171.9	0	0	0	0	0	110.2	S705 R727 D728 F756	S705-G707 PolarHBondContact O-N 3.25Å; G707-R727 WeakPolarHBondContact O-CA 3.35Å; G707-D728 PolarHBondContact N-O 2.49Å; G707-D728 PolarHBondContact O-N 2.97Å; G707-D728 VanDerWaalsContact O-N 3.08Å; G707-F756 VanDerWaalsContact CA-CE1 3.44Å
708	N	86.1	Confident	82.5	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.043	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.1	176.2	-68.6	-0.1	0	0	0	109.5	L726 R727 G754 F755	N708-L726 WeakPolarHBondContact CA-O 3.39Å; N708-R727 VanDerWaalsContact OD1-CG 3.31Å; N708-R727 WeakPolarHBondContact OD1-CG 3.4Å; N708-G754 WeakPolarHBondContact O-CA 3.27Å; N708-F755 HydrophobicContact CB-CD1 4Å; N708-F755 HydrophobicContact CB-CD2 4.38Å; N708-F755 HydrophobicContact CB-CE1 3.66Å; N708-F755 HydrophobicContact CB-CE2 4.07Å; N708-F755 HydrophobicContact CB-CG 4.36Å; N708-F755 HydrophobicContact CB-CZ 3.71Å; N708-F755 PolarHBondContact N-O 3.08Å; N708-F755 WeakPolarHBondContact ND2-CE2 3.42Å; N708-F755 VanDerWaalsContact ND2-CZ 3.28Å; N708-F755 WeakPolarHBondContact ND2-CZ 3.31Å; N708-F755 PolarHBondContact O-N 2.77Å
709	L	89.6	Confident	82.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122	174.2	-172.4	65.1	0	0	0	108.9	W655 F697 Y699 M701 W724 S725 L726 I752 E753 I764 I766	W655-L709 HydrophobicContact CH2-CD1 4.31Å; W655-L709 HydrophobicContact CZ2-CD1 4.41Å; F697-L709 HydrophobicContact CE2-CD2 3.76Å; Y699-L709 HydrophobicContact CG-CD2 4.19Å; M701-L709 HydrophobicContact CE-CB 4.25Å; M701-L709 HydrophobicContact SD-CB 4.28Å; L709-W724 HydrophobicContact CB-CZ3 4.09Å; L709-W724 HydrophobicContact CD2-CH2 4.34Å; L709-W724 HydrophobicContact CD2-CZ3 4.06Å; L709-W724 HydrophobicContact CG-CZ3 3.99Å; L709-W724 WeakPolarHBondContact O-CZ3 3.43Å; L709-S725 WeakPolarHBondContact O-CA 3.33Å; L709-L726 PolarHBondContact N-O 2.79Å; L709-L726 PolarHBondContact O-N 3.21Å; L709-I752 HydrophobicContact CD1-CG2 3.7Å; L709-I752 HydrophobicContact CG-CG2 4.47Å; L709-E753 WeakPolarHBondContact CA-O 3.45Å; L709-I764 HydrophobicContact CD1-CG2 4.35Å; L709-I766 HydrophobicContact CD1-CG2 4.32Å; L709-I766 HydrophobicContact CD2-CG2 4.07Å
710	N	91.9	Very high	82.3	Confident	16 Å²	16	47.9 Å²	47.9	9%	0.086	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.5	-178.5	-70.1	-24.3	0	0	0	110.5	F712 L722 W724 S725 I752 E753	N710-F712 HydrophobicContact CB-CD2 4.21Å; N710-F712 HydrophobicContact CB-CE2 3.51Å; N710-F712 HydrophobicContact CB-CZ 4.04Å; N710-L722 HydrophobicContact CB-CD1 3.88Å; N710-W724 CarbonylContact C-O 3.42Å; N710-W724 WeakPolarHBondContact CA-O 3.42Å; N710-S725 WeakPolarHBondContact OD1-CB 3.4Å; N710-S725 PolarHBondContact OD1-OG 3.42Å; N710-I752 CarbonylContact O-C 3.11Å; N710-I752 WeakPolarHBondContact O-CA 3.29Å; N710-E753 HydrophobicContact CB-CB 4.25Å; N710-E753 PolarHBondContact N-O 3.32Å; N710-E753 PolarHBondContact ND2-OE1 3.07Å; N710-E753 PolarHBondContact O-N 2.89Å
711	V	92.1	Very high	82.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.9	166.8	-172.4	0	0	0	0	109.1	L695 F697 L723 W724 T739 V750 V751 I752	L695-V711 HydrophobicContact CD2-CG1 3.67Å; L695-V711 HydrophobicContact CD2-CG2 4.3Å; F697-V711 HydrophobicContact CE1-CG2 3.98Å; F697-V711 HydrophobicContact CZ-CG2 4.07Å; V711-L723 PolarHBondContact O-N 2.82Å; V711-W724 HydrophobicContact CB-CB 4.01Å; V711-W724 HydrophobicContact CG2-CB 4.12Å; V711-W724 HydrophobicContact CG2-CD2 4.49Å; V711-W724 HydrophobicContact CG2-CE3 4.01Å; V711-W724 PolarHBondContact N-O 3.1Å; V711-W724 PolarHBondContact O-N 3.5Å; V711-T739 HydrophobicContact CG1-CG2 4.46Å; V711-V750 HydrophobicContact CG1-CG1 3.6Å; V711-V751 CarbonylContact C-O 3.59Å; V711-V751 WeakPolarHBondContact CA-O 3.38Å; V711-I752 HydrophobicContact CG1-CG1 4.47Å; V711-I752 HydrophobicContact CG2-CG1 4.31Å
712	F	91.1	Very high	82.4	Confident	28 Å²	28	54.6 Å²	54.6	12%	0.123	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.7	176.3	-57	-99	0	0	0	111.2	N710 E720 V721 L722 V750 V751 E753	N710-F712 HydrophobicContact CB-CD2 4.21Å; N710-F712 HydrophobicContact CB-CE2 3.51Å; N710-F712 HydrophobicContact CB-CZ 4.04Å; F712-E720 HydrophobicContact CD1-CB 4.26Å; F712-V721 CarbonylContact C-O 3.6Å; F712-V721 VanDerWaalsContact CA-O 3.23Å; F712-V721 WeakPolarHBondContact CA-O 3.46Å; F712-L722 HydrophobicContact CD1-CB 4.04Å; F712-L722 HydrophobicContact CD1-CD1 4.01Å; F712-L722 HydrophobicContact CE1-CB 4.02Å; F712-L722 HydrophobicContact CE1-CD1 3.67Å; F712-L722 HydrophobicContact CE1-CG 4.44Å; F712-L722 HydrophobicContact CE2-CD1 4.21Å; F712-L722 HydrophobicContact CG-CD1 4.41Å; F712-L722 HydrophobicContact CZ-CD1 3.78Å; F712-V750 CarbonylContact O-C 3.58Å; F712-V750 WeakPolarHBondContact O-CA 3.47Å; F712-V751 HydrophobicContact CB-CB 4.35Å; F712-V751 PolarHBondContact N-O 2.84Å; F712-V751 PolarHBondContact O-N 2.58Å; F712-E753 HydrophobicContact CD2-CB 4.47Å; F712-E753 HydrophobicContact CE2-CB 3.95Å; F712-E753 WeakPolarHBondContact CE2-OE1 3.26Å
713	L	90.2	Very high	82.8	Confident	20 Å²	20	50.9 Å²	50.9	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.6	160.2	-172.5	152.2	0	0	0	108.3	E720 V721 L723 V741 P742 F748	L713-E720 WeakPolarHBondContact O-CA 3.47Å; L713-V721 PolarHBondContact N-O 2.91Å; L713-V721 PolarHBondContact O-N 3.24Å; L713-L723 HydrophobicContact CB-CD1 3.97Å; L713-L723 HydrophobicContact CB-CD2 4.28Å; L713-L723 HydrophobicContact CB-CG 4.06Å; L713-L723 HydrophobicContact CD1-CD1 4.5Å; L713-V741 HydrophobicContact CD1-CG1 4.36Å; L713-P742 HydrophobicContact CD1-CG 3.99Å; L713-F748 HydrophobicContact CD1-CD2 3.77Å; L713-F748 HydrophobicContact CD1-CE2 3.93Å; L713-F748 HydrophobicContact CD1-CG 4.28Å; L713-F748 HydrophobicContact CD2-CB 4Å; L713-F748 HydrophobicContact CD2-CD2 4.28Å; L713-F748 HydrophobicContact CD2-CG 4.29Å; L713-F748 HydrophobicContact CG-CB 4.36Å; L713-F748 HydrophobicContact CG-CD2 3.73Å; L713-F748 HydrophobicContact CG-CE2 4.33Å; L713-F748 HydrophobicContact CG-CG 4.23Å
714	R	89.8	Confident	83.6	Confident	22 Å²	22	52 Å²	52	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.3	177.5	-178.4	-173.3	-70.5	177.5	-0.5	109.8	D648 R680 N718 D719 E720 F748 Q749 V751	D648-R714 IonicContact OD2-CZ 3.65Å; D648-R714 IonicContact OD2-NH1 2.67Å; D648-R714 PolarHBondContact OD2-NH1 3.13Å; D648-R714 IonicContact OD2-NH2 3.94Å; D648-R714 PolarHBondContact OD2-NH2 3.49Å; R680-R714 VanDerWaalsContact NH1-NH2 3.15Å; R714-N718 HydrophobicContact CG-CB 4.41Å; R714-D719 VanDerWaalsContact CA-O 3.3Å; R714-D719 WeakPolarHBondContact CA-O 3.25Å; R714-E720 HydrophobicContact CB-CG 4.15Å; R714-E720 HydrophobicContact CG-CG 4.11Å; R714-E720 IonicContact CZ-OE1 2.77Å; R714-E720 IonicContact NE-OE1 2.95Å; R714-E720 PolarHBondContact NE-OE1 3.02Å; R714-E720 IonicContact NH2-OE1 3.12Å; R714-E720 PolarHBondContact NH2-OE1 3.08Å; R714-F748 CarbonylContact O-C 3.08Å; R714-F748 WeakPolarHBondContact O-CA 3.33Å; R714-F748 WeakPolarHBondContact O-CB 3.46Å; R714-Q749 PolarHBondContact N-O 2.9Å; R714-Q749 PolarHBondContact O-N 3.34Å; R714-V751 HydrophobicContact CB-CG2 3.88Å
715	D	84.3	Confident	84.7	Confident	31 Å²	31	48.9 Å²	48.9	17%	0.166	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	179.5	177	93.3	-27.2	0	0	0	113.5	L717 N718 D719 K746	D715-L717 PolarHBondContact O-N 2.71Å; D715-L717 WeakPolarHBondContact OD1-CA 3.15Å; D715-L717 WeakPolarHBondContact OD1-CB 3.32Å; D715-L717 PolarHBondContact OD1-N 2.91Å; D715-N718 PolarHBondContact O-N 3.4Å; D715-N718 PolarHBondContact OD1-N 3.43Å; D715-D719 PolarHBondContact N-O 2.81Å; D715-D719 PolarHBondContact OD1-N 3.09Å; D715-K746 IonicContact OD2-NZ 3.64Å; D715-K746 PolarHBondContact OD2-NZ 2.91Å
716	D	78.4	Confident	85.6	Confident	99 Å²	99	49.7 Å²	49.7	53%	0.529	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.6	177.6	66.3	-31.2	0	0	0	114.5	K746	D716-K746 VanDerWaalsContact OD1-CD 3.3Å; D716-K746 WeakPolarHBondContact OD1-CD 3.35Å; D716-K746 VanDerWaalsContact OD1-CE 3.3Å; D716-K746 WeakPolarHBondContact OD1-CE 3.11Å; D716-K746 IonicContact OD1-NZ 2.94Å; D716-K746 PolarHBondContact OD1-NZ 2.94Å; D716-K746 IonicContact OD2-NZ 3.08Å
717	L	80.6	Confident	86.2	Confident	129 Å²	129	53 Å²	53	68%	0.675	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-4.3	174.5	-55.8	175.8	0	0	0	112.4	D715	D715-L717 PolarHBondContact O-N 2.71Å; D715-L717 WeakPolarHBondContact OD1-CA 3.15Å; D715-L717 WeakPolarHBondContact OD1-CB 3.32Å; D715-L717 PolarHBondContact OD1-N 2.91Å
718	N	78.1	Confident	86	Confident	106 Å²	106	54.1 Å²	54.1	57%	0.567	28%	0.277	S	S	*	.			trans	67.6	26.5	-169.9	-49.6	-98.7	0	0	0	114.5	R714 D715	R714-N718 HydrophobicContact CG-CB 4.41Å; D715-N718 PolarHBondContact O-N 3.4Å; D715-N718 PolarHBondContact OD1-N 3.43Å
719	D	82.6	Confident	85.1	Confident	113 Å²	113	57 Å²	57	60%	0.604	29%	0.292	S	S	*	.			trans	-74.7	143.5	163.6	-164.5	10.3	0	0	0	109.6	R714 D715	R714-D719 VanDerWaalsContact CA-O 3.3Å; R714-D719 WeakPolarHBondContact CA-O 3.25Å; D715-D719 PolarHBondContact N-O 2.81Å; D715-D719 PolarHBondContact OD1-N 3.09Å
720	E	88.9	Confident	83.8	Confident	58 Å²	58	63.3 Å²	63.3	27%	0.271	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111.9	-167.5	-68.2	-169.6	156.4	0	0	113.1	R680 F712 L713 R714	R680-E720 IonicContact CZ-OE1 2.78Å; R680-E720 IonicContact CZ-OE2 2.61Å; R680-E720 VanDerWaalsContact CZ-OE2 3.29Å; R680-E720 VanDerWaalsContact NH1-CD 3.32Å; R680-E720 IonicContact NH1-OE1 3.31Å; R680-E720 PolarHBondContact NH1-OE1 2.85Å; R680-E720 IonicContact NH1-OE2 3.3Å; R680-E720 PolarHBondContact NH1-OE2 3.45Å; R680-E720 IonicContact NH2-OE1 3.72Å; R680-E720 PolarHBondContact NH2-OE1 3.4Å; R680-E720 IonicContact NH2-OE2 2.86Å; R680-E720 PolarHBondContact NH2-OE2 3Å; F712-E720 HydrophobicContact CD1-CB 4.26Å; L713-E720 WeakPolarHBondContact O-CA 3.47Å; R714-E720 HydrophobicContact CB-CG 4.15Å; R714-E720 HydrophobicContact CG-CG 4.11Å; R714-E720 IonicContact CZ-OE1 2.77Å; R714-E720 IonicContact NE-OE1 2.95Å; R714-E720 PolarHBondContact NE-OE1 3.02Å; R714-E720 IonicContact NH2-OE1 3.12Å; R714-E720 PolarHBondContact NH2-OE1 3.08Å
721	V	85.9	Confident	82.3	Confident	86 Å²	86	63 Å²	63	52%	0.521	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.1	178.6	-177.6	0	0	0	0	110.1	F712 L713 L723	F712-V721 CarbonylContact C-O 3.6Å; F712-V721 VanDerWaalsContact CA-O 3.23Å; F712-V721 WeakPolarHBondContact CA-O 3.46Å; L713-V721 PolarHBondContact N-O 2.91Å; L713-V721 PolarHBondContact O-N 3.24Å; V721-L723 PolarHBondContact O-N 3.33Å
722	L	87.3	Confident	81	Confident	89 Å²	89	69 Å²	69	47%	0.466	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119	176	-175	72.3	0	0	0	110.7	N710 F712 W724	N710-L722 HydrophobicContact CB-CD1 3.88Å; F712-L722 HydrophobicContact CD1-CB 4.04Å; F712-L722 HydrophobicContact CD1-CD1 4.01Å; F712-L722 HydrophobicContact CE1-CB 4.02Å; F712-L722 HydrophobicContact CE1-CD1 3.67Å; F712-L722 HydrophobicContact CE1-CG 4.44Å; F712-L722 HydrophobicContact CE2-CD1 4.21Å; F712-L722 HydrophobicContact CG-CD1 4.41Å; F712-L722 HydrophobicContact CZ-CD1 3.78Å; L722-W724 WeakPolarHBondContact CD1-O 3.19Å
723	L	84.9	Confident	80.4	Confident	42 Å²	42	71.6 Å²	71.6	22%	0.22	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-27.5	176.6	-63.1	-173.7	0	0	0	113.4	V711 L713 V721 T739 V741 P742	V711-L723 PolarHBondContact O-N 2.82Å; L713-L723 HydrophobicContact CB-CD1 3.97Å; L713-L723 HydrophobicContact CB-CD2 4.28Å; L713-L723 HydrophobicContact CB-CG 4.06Å; L713-L723 HydrophobicContact CD1-CD1 4.5Å; V721-L723 PolarHBondContact O-N 3.33Å; L723-T739 PolarHBondContact O-OG1 2.86Å; L723-V741 HydrophobicContact CD1-CG2 4.13Å; L723-P742 HydrophobicContact CD2-CG 4.41Å
724	W	89.5	Confident	79.8	Confident	29 Å²	29	74.4 Å²	74.4	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	145.8	-175.4	-172.4	95.5	0	0	0	110.4	F697 Y699 L709 N710 V711 L722 L726 R738 T739 F784	F697-W724 AromaticContact CE2-CH2 3.96Å; F697-W724 HydrophobicContact CE2-CH2 3.96Å; F697-W724 HydrophobicContact CE2-CZ3 4.17Å; F697-W724 HydrophobicContact CZ-CD2 4.27Å; F697-W724 HydrophobicContact CZ-CE3 4.01Å; F697-W724 AromaticContact CZ-CH2 3.7Å; F697-W724 HydrophobicContact CZ-CH2 3.7Å; F697-W724 HydrophobicContact CZ-CZ2 4Å; F697-W724 AromaticContact CZ-CZ3 3.72Å; F697-W724 HydrophobicContact CZ-CZ3 3.72Å; Y699-W724 HydrophobicContact CD1-CH2 4.46Å; Y699-W724 HydrophobicContact CE1-CH2 4.2Å; Y699-W724 HydrophobicContact CE1-CZ2 4.36Å; L709-W724 HydrophobicContact CB-CZ3 4.09Å; L709-W724 HydrophobicContact CD2-CH2 4.34Å; L709-W724 HydrophobicContact CD2-CZ3 4.06Å; L709-W724 HydrophobicContact CG-CZ3 3.99Å; L709-W724 WeakPolarHBondContact O-CZ3 3.43Å; N710-W724 CarbonylContact C-O 3.42Å; N710-W724 WeakPolarHBondContact CA-O 3.42Å; V711-W724 HydrophobicContact CB-CB 4.01Å; V711-W724 HydrophobicContact CG2-CB 4.12Å; V711-W724 HydrophobicContact CG2-CD2 4.49Å; V711-W724 HydrophobicContact CG2-CE3 4.01Å; V711-W724 PolarHBondContact N-O 3.1Å; V711-W724 PolarHBondContact O-N 3.5Å; L722-W724 WeakPolarHBondContact CD1-O 3.19Å; W724-L726 HydrophobicContact CE3-CB 4.31Å; W724-L726 HydrophobicContact CH2-CB 3.37Å; W724-L726 HydrophobicContact CH2-CD2 3.65Å; W724-L726 HydrophobicContact CH2-CG 4.15Å; W724-L726 HydrophobicContact CZ2-CB 3.93Å; W724-L726 HydrophobicContact CZ2-CD2 4.14Å; W724-L726 HydrophobicContact CZ3-CB 3.57Å; W724-R738 PolarHBondContact NE1-O 2.85Å; W724-T739 HydrophobicContact CB-CG2 4.04Å; W724-F784 HydrophobicContact CZ2-CE1 4.27Å; W724-F784 HydrophobicContact CZ2-CZ 4.01Å
725	S	88.6	Confident	79.4	Confident	56 Å²	56	77.3 Å²	77.3	39%	0.392	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	134.8	176.1	-173.4	0	0	0	0	110.2	L709 N710	L709-S725 WeakPolarHBondContact O-CA 3.33Å; N710-S725 WeakPolarHBondContact OD1-CB 3.4Å; N710-S725 PolarHBondContact OD1-OG 3.42Å
726	L	86.8	Confident	79.4	Confident	28 Å²	28	80.7 Å²	80.7	15%	0.147	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.4	175.7	178.5	64.7	0	0	0	110.2	Y699 M701 N708 L709 W724	Y699-L726 HydrophobicContact CD2-CD2 4.2Å; Y699-L726 HydrophobicContact CE1-CD2 4.02Å; Y699-L726 HydrophobicContact CE2-CD2 3.32Å; Y699-L726 WeakPolarHBondContact OH-CD2 3.46Å; M701-L726 HydrophobicContact CE-CD2 3.56Å; M701-L726 HydrophobicContact CE-CG 3.96Å; N708-L726 WeakPolarHBondContact CA-O 3.39Å; L709-L726 PolarHBondContact N-O 2.79Å; L709-L726 PolarHBondContact O-N 3.21Å; W724-L726 HydrophobicContact CE3-CB 4.31Å; W724-L726 HydrophobicContact CH2-CB 3.37Å; W724-L726 HydrophobicContact CH2-CD2 3.65Å; W724-L726 HydrophobicContact CH2-CG 4.15Å; W724-L726 HydrophobicContact CZ2-CB 3.93Å; W724-L726 HydrophobicContact CZ2-CD2 4.14Å; W724-L726 HydrophobicContact CZ3-CB 3.57Å
727	R	85.6	Confident	79.7	Confident	154 Å²	154	76 Å²	76	58%	0.581	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	111.2	171.2	-46.8	-170.4	-173.8	-176.7	1.5	109.3	Q706 G707 N708	Q706-R727 HydrophobicContact CG-CB 3.99Å; Q706-R727 PolarHBondContact NE2-O 3.35Å; G707-R727 WeakPolarHBondContact O-CA 3.35Å; N708-R727 VanDerWaalsContact OD1-CG 3.31Å; N708-R727 WeakPolarHBondContact OD1-CG 3.4Å
728	D	74.4	Confident	80	Confident	23 Å²	23	71.7 Å²	71.7	12%	0.123	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	163.3	-179	-152.1	-38.1	0	0	0	109.4	M701 Q706 G707 H730 T731 K735	M701-D728 HydrophobicContact CE-CB 3.79Å; Q706-D728 WeakPolarHBondContact CA-O 3.46Å; Q706-D728 WeakPolarHBondContact CG-O 3.44Å; G707-D728 PolarHBondContact N-O 2.49Å; G707-D728 PolarHBondContact O-N 2.97Å; G707-D728 VanDerWaalsContact O-N 3.08Å; D728-H730 PolarHBondContact OD1-N 2.88Å; D728-T731 WeakPolarHBondContact OD2-CG2 3.41Å; D728-K735 IonicContact OD2-NZ 3.81Å; D728-K735 PolarHBondContact OD2-NZ 2.95Å
729	N	67.6	Low	80.4	Confident	68 Å²	68	67.4 Å²	67.4	36%	0.364	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	-26.1	-177.9	55.6	-3.8	0	0	0	114.2	G703 Q706	G703-N729 PolarHBondContact N-O 3.01Å; Q706-N729 HydrophobicContact CB-CB 4.45Å
730	H	61.6	Low	80.6	Confident	133 Å²	133	64.6 Å²	64.6	62%	0.616	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	64.8	-172.7	-68.5	-76.7	0	0	0	113.2	D728	D728-H730 PolarHBondContact OD1-N 2.88Å
731	T	59.2	Low	80.5	Confident	10 Å²	10	61.8 Å²	61.8	6%	0.061	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	102.2	171.6	54.3	0	0	0	0	112.4	Q700 M701 D728 V733 K735	Q700-T731 WeakPolarHBondContact CG-O 3.42Å; M701-T731 CarbonylContact C-O 3.56Å; M701-T731 WeakPolarHBondContact CA-OG1 3.05Å; M701-T731 PolarHBondContact N-OG1 2.92Å; M701-T731 CarbonylContact O-C 3.29Å; M701-T731 WeakPolarHBondContact O-CA 3.15Å; M701-T731 PolarHBondContact O-N 3.03Å; M701-T731 PolarHBondContact O-OG1 2.81Å; D728-T731 WeakPolarHBondContact OD2-CG2 3.41Å; T731-V733 VanDerWaalsContact C-N 3.29Å; T731-K735 HydrophobicContact CG2-CD 4.02Å
732	M	66.4	Low	80.3	Confident	126 Å²	126	60.5 Å²	60.5	62%	0.621	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	-4.7	169.4	-73	177.4	152.3	0	0	113.2	Q700 W702	Q700-M732 PolarHBondContact NE2-O 2.76Å; W702-M732 HydrophobicContact CD2-CE 4.08Å; W702-M732 HydrophobicContact CD2-CG 4.3Å; W702-M732 HydrophobicContact CE3-CE 4.03Å; W702-M732 HydrophobicContact CE3-CG 4.17Å; W702-M732 HydrophobicContact CH2-CE 3.4Å; W702-M732 HydrophobicContact CZ2-CE 3.42Å; W702-M732 VanDerWaalsContact CZ2-CE 3.42Å; W702-M732 HydrophobicContact CZ3-CE 3.7Å
733	V	76.8	Confident	80.1	Confident	82 Å²	82	63.7 Å²	63.7	50%	0.497	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.2	-177.8	-172.1	0	0	0	0	108.8	T731 F787	T731-V733 VanDerWaalsContact C-N 3.29Å; V733-F787 HydrophobicContact CG1-CE1 4.35Å
734	W	78.7	Confident	79.8	Confident	78 Å²	78	62.7 Å²	62.7	30%	0.295	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	134	170.5	-71.2	105.3	0	0	0	110.8	Y665 Y699 Q700 W765 D767	Y665-W734 HydrophobicContact CD1-CZ2 4.2Å; Y665-W734 HydrophobicContact CG-CH2 4.41Å; Y665-W734 HydrophobicContact CG-CZ2 4.37Å; Y699-W734 VanDerWaalsContact C-CE3 3.4Å; Y699-W734 WeakPolarHBondContact O-CA 3.35Å; Q700-W734 HydrophobicContact CB-CD2 3.98Å; Q700-W734 HydrophobicContact CB-CE3 3.83Å; Q700-W734 HydrophobicContact CB-CG 4.5Å; Q700-W734 HydrophobicContact CB-CZ3 4.21Å; W734-W765 HydrophobicContact CH2-CB 3.65Å; W734-W765 HydrophobicContact CZ2-CB 4.35Å; W734-W765 HydrophobicContact CZ3-CB 4.04Å; W734-D767 HydrophobicContact CH2-CB 3.76Å; W734-D767 HydrophobicContact CZ3-CB 3.87Å
735	K	81.4	Confident	79.3	Confident	84 Å²	84	66.2 Å²	66.2	37%	0.365	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	154.9	172.9	-70.2	179.9	176.5	174.6	0	109.1	S698 Y699 D728 T731	S698-K735 CarbonylContact C-O 3.6Å; S698-K735 WeakPolarHBondContact CA-O 3.37Å; Y699-K735 HydrophobicContact CD1-CB 4.39Å; Y699-K735 WeakPolarHBondContact CD1-O 3.33Å; Y699-K735 HydrophobicContact CD2-CB 4.49Å; Y699-K735 HydrophobicContact CE1-CB 3.77Å; Y699-K735 HydrophobicContact CE2-CB 3.85Å; Y699-K735 HydrophobicContact CE2-CD 3.91Å; Y699-K735 HydrophobicContact CE2-CG 4.44Å; Y699-K735 VanDerWaalsContact CZ-CB 3.44Å; Y699-K735 PolarHBondContact N-O 3.45Å; Y699-K735 PolarHBondContact O-N 3.41Å; Y699-K735 WeakPolarHBondContact OH-CB 3.2Å; Y699-K735 WeakPolarHBondContact OH-CD 3.33Å; D728-K735 IonicContact OD2-NZ 3.81Å; D728-K735 PolarHBondContact OD2-NZ 2.95Å; T731-K735 HydrophobicContact CG2-CD 4.02Å
736	E	84.8	Confident	78.9	Confident	101 Å²	101	67.1 Å²	67.1	47%	0.472	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.8	169	-167.9	177.6	80.2	0	0	110.9	F697 Y699	F697-E736 CarbonylContact O-C 3.54Å; F697-E736 WeakPolarHBondContact O-CA 3.5Å; Y699-E736 WeakPolarHBondContact CE1-O 3.05Å
737	G	83.5	Confident	78.9	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.4	165.1	0	0	0	0	0	109.7	F697	F697-G737 WeakPolarHBondContact CD1-O 3.35Å; F697-G737 PolarHBondContact N-O 2.93Å; F697-G737 PolarHBondContact O-N 2.78Å
738	R	87.3	Confident	79	Confident	40 Å²	40	64 Å²	64	15%	0.151	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.6	178.3	54.8	-176.7	165.9	-166.3	-14	111.4	L695 L696 W724 E779 E782 P783	L695-R738 WeakPolarHBondContact O-CA 3.37Å; L696-R738 HydrophobicContact CD2-CB 3.78Å; W724-R738 PolarHBondContact NE1-O 2.85Å; R738-E779 VanDerWaalsContact CD-O 3.31Å; R738-E779 WeakPolarHBondContact CD-O 3.21Å; R738-E779 PolarHBondContact NH1-O 2.81Å; R738-E782 VanDerWaalsContact CZ-CB 3.42Å; R738-E782 IonicContact CZ-OE2 2.62Å; R738-E782 PolarHBondContact NE-O 3.25Å; R738-E782 IonicContact NH1-OE2 2.65Å; R738-E782 PolarHBondContact NH1-OE2 2.77Å; R738-E782 PolarHBondContact NH2-O 2.8Å; R738-E782 IonicContact NH2-OE2 2.84Å; R738-E782 PolarHBondContact NH2-OE2 3.08Å; R738-P783 PolarHBondContact NH2-O 3.09Å
739	T	87	Confident	79.8	Confident	15 Å²	15	65.2 Å²	65.2	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.4	172.1	-172	0	0	0	0	112.3	L695 V711 L723 W724 C780	L695-T739 HydrophobicContact CB-CG2 4.11Å; L695-T739 HydrophobicContact CD2-CG2 4.02Å; L695-T739 PolarHBondContact N-O 2.63Å; L695-T739 PolarHBondContact O-N 3.08Å; V711-T739 HydrophobicContact CG1-CG2 4.46Å; L723-T739 PolarHBondContact O-OG1 2.86Å; W724-T739 HydrophobicContact CB-CG2 4.04Å; T739-C780 VanDerWaalsContact C-SG 3.51Å; T739-C780 PolarHBondContact O-SG 3.26Å; T739-C780 VanDerWaalsContact O-SG 3.38Å
740	I	86.3	Confident	80.9	Confident	54 Å²	54	62 Å²	62	28%	0.277	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.1	173.9	-67.4	176.7	0	0	0	109.5	P692 P742 L777 C780 T781	P692-I740 HydrophobicContact CB-CG2 4.23Å; I740-P742 WeakPolarHBondContact O-CD 3.45Å; I740-L777 HydrophobicContact CD1-CB 4.45Å; I740-L777 HydrophobicContact CD1-CD2 3.92Å; I740-L777 HydrophobicContact CG1-CD2 4.22Å; I740-L777 HydrophobicContact CG2-CD2 4.37Å; I740-C780 HydrophobicContact CG1-CB 3.89Å; I740-T781 HydrophobicContact CD1-CG2 3.45Å; I740-T781 VanDerWaalsContact CD1-CG2 3.45Å; I740-T781 HydrophobicContact CG1-CG2 4.2Å
741	V	86.4	Confident	82.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110.7	165.7	177.1	0	0	0	0	107.5	P692 L693 L695 L713 L723 F748 V750	P692-V741 WeakPolarHBondContact CA-O 3.26Å; L693-V741 HydrophobicContact CB-CB 4.23Å; L693-V741 PolarHBondContact N-O 2.88Å; L693-V741 PolarHBondContact O-N 2.95Å; L695-V741 HydrophobicContact CB-CG2 3.89Å; L713-V741 HydrophobicContact CD1-CG1 4.36Å; L723-V741 HydrophobicContact CD1-CG2 4.13Å; V741-F748 HydrophobicContact CG1-CE2 3.37Å; V741-F748 HydrophobicContact CG1-CZ 3.63Å; V741-V750 HydrophobicContact CG1-CG2 4.25Å; V741-V750 HydrophobicContact CG2-CG2 4.08Å
742	P	83	Confident	83.9	Confident	59 Å²	59	55.1 Å²	55.1	38%	0.383	27%	0.269	S	S	.	.			trans	-69.5	154.8	-174	28.8	-35.6	0	0	0	112.2	L713 L723 I740 S744	L713-P742 HydrophobicContact CD1-CG 3.99Å; L723-P742 HydrophobicContact CD2-CG 4.41Å; I740-P742 WeakPolarHBondContact O-CD 3.45Å; P742-S744 PolarHBondContact O-N 3.24Å
743	R	82.4	Confident	85.1	Confident	155 Å²	155	49.4 Å²	49.4	59%	0.585	24%	0.241	S	C	*	.			trans	-67.6	115.9	172.2	-179.5	-177.3	-68.2	173	0.8	109.8	N689 A690 G691	N689-R743 PolarHBondContact O-NE 3.41Å; A690-R743 WeakPolarHBondContact O-CA 3.35Å; G691-R743 VanDerWaalsContact O-CZ 3.24Å; G691-R743 PolarHBondContact O-NE 2.95Å; G691-R743 PolarHBondContact O-NH2 2.02Å
744	S	79.5	Confident	85.6	Confident	21 Å²	21	45.5 Å²	45.5	15%	0.147	22%	0.217	C	C	.	.			trans	-94.9	142.5	170.7	-177.3	0	0	0	0	111.3	N689 P742 K746	N689-S744 VanDerWaalsContact CA-O 3.31Å; N689-S744 WeakPolarHBondContact CA-O 3.34Å; N689-S744 PolarHBondContact N-O 2.76Å; P742-S744 PolarHBondContact O-N 3.24Å; S744-K746 WeakPolarHBondContact CB-O 3.42Å; S744-K746 PolarHBondContact O-N 3.1Å; S744-K746 PolarHBondContact OG-N 3.14Å; S744-K746 VanDerWaalsContact OG-N 3.13Å; S744-K746 PolarHBondContact OG-O 2.86Å
745	P	77.6	Confident	86	Confident	104 Å²	104	42.7 Å²	42.7	68%	0.675	21%	0.207	S	C	*	.	S	Bend	trans	-76.5	-7.3	168.5	33.5	-36.1	0	0	0	113.2
746	K	80.6	Confident	85.8	Confident	75 Å²	75	39 Å²	39	33%	0.326	19%	0.191	S	C	.	.	S	Bend	trans	-106.3	166	172.8	-67.9	176.3	162.7	-163	0	110.8	A688 D715 D716 S744	A688-K746 WeakPolarHBondContact CA-O 3.25Å; D715-K746 IonicContact OD2-NZ 3.64Å; D715-K746 PolarHBondContact OD2-NZ 2.91Å; D716-K746 VanDerWaalsContact OD1-CD 3.3Å; D716-K746 WeakPolarHBondContact OD1-CD 3.35Å; D716-K746 VanDerWaalsContact OD1-CE 3.3Å; D716-K746 WeakPolarHBondContact OD1-CE 3.11Å; D716-K746 IonicContact OD1-NZ 2.94Å; D716-K746 PolarHBondContact OD1-NZ 2.94Å; D716-K746 IonicContact OD2-NZ 3.08Å; S744-K746 WeakPolarHBondContact CB-O 3.42Å; S744-K746 PolarHBondContact O-N 3.1Å; S744-K746 PolarHBondContact OG-N 3.14Å; S744-K746 VanDerWaalsContact OG-N 3.13Å; S744-K746 PolarHBondContact OG-O 2.86Å
747	E	86.3	Confident	84.9	Confident	112 Å²	112	38.7 Å²	38.7	52%	0.523	19%	0.189	S	C	.	.			trans	-68.6	150.2	161	-54.2	-167.6	147.9	0	0	110.6	V685 V686 A688	V685-E747 HydrophobicContact CG1-CB 3.86Å; V686-E747 WeakPolarHBondContact O-CA 3.38Å; A688-E747 HydrophobicContact CB-CG 4.29Å
748	F	88.8	Confident	84.1	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	171.5	-177.1	66.9	-87.8	0	0	0	112.3	V686 L713 R714 V741 V750	V686-F748 HydrophobicContact CB-CD1 4.26Å; V686-F748 HydrophobicContact CB-CD2 4.17Å; V686-F748 HydrophobicContact CB-CE1 3.94Å; V686-F748 HydrophobicContact CB-CE2 3.82Å; V686-F748 HydrophobicContact CB-CG 4.39Å; V686-F748 HydrophobicContact CB-CZ 3.72Å; V686-F748 HydrophobicContact CG1-CD1 4.41Å; V686-F748 HydrophobicContact CG1-CE1 3.65Å; V686-F748 HydrophobicContact CG1-CE2 4Å; V686-F748 HydrophobicContact CG1-CZ 3.41Å; V686-F748 VanDerWaalsContact CG1-CZ 3.41Å; V686-F748 HydrophobicContact CG2-CE2 4.04Å; V686-F748 HydrophobicContact CG2-CZ 4.31Å; V686-F748 PolarHBondContact N-O 2.96Å; V686-F748 PolarHBondContact O-N 3.33Å; V686-F748 VanDerWaalsContact O-N 3.11Å; L713-F748 HydrophobicContact CD1-CD2 3.77Å; L713-F748 HydrophobicContact CD1-CE2 3.93Å; L713-F748 HydrophobicContact CD1-CG 4.28Å; L713-F748 HydrophobicContact CD2-CB 4Å; L713-F748 HydrophobicContact CD2-CD2 4.28Å; L713-F748 HydrophobicContact CD2-CG 4.29Å; L713-F748 HydrophobicContact CG-CB 4.36Å; L713-F748 HydrophobicContact CG-CD2 3.73Å; L713-F748 HydrophobicContact CG-CE2 4.33Å; L713-F748 HydrophobicContact CG-CG 4.23Å; R714-F748 CarbonylContact O-C 3.08Å; R714-F748 WeakPolarHBondContact O-CA 3.33Å; R714-F748 WeakPolarHBondContact O-CB 3.46Å; V741-F748 HydrophobicContact CG1-CE2 3.37Å; V741-F748 HydrophobicContact CG1-CZ 3.63Å; F748-V750 HydrophobicContact CE2-CG2 4.44Å
749	Q	91.1	Very high	82.7	Confident	48 Å²	48	45 Å²	45	22%	0.224	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.4	173.3	-66	179.7	-73.2	0	0	110.9	V682 S683 V685 R714	V682-Q749 HydrophobicContact CG1-CB 4.05Å; V682-Q749 HydrophobicContact CG1-CG 4.4Å; S683-Q749 PolarHBondContact O-NE2 2.87Å; V685-Q749 HydrophobicContact CG2-CG 4.07Å; R714-Q749 PolarHBondContact N-O 2.9Å; R714-Q749 PolarHBondContact O-N 3.34Å
750	V	90.6	Very high	81.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.6	170.5	177.5	0	0	0	0	108.6	W645 V682 S683 L695 V711 F712 V741 F748 M771	W645-V750 HydrophobicContact CH2-CB 4.29Å; W645-V750 HydrophobicContact CH2-CG1 4.2Å; V682-V750 WeakPolarHBondContact CA-O 3.36Å; S683-V750 PolarHBondContact N-O 2.74Å; S683-V750 PolarHBondContact OG-N 2.8Å; L695-V750 HydrophobicContact CD2-CG1 3.92Å; V711-V750 HydrophobicContact CG1-CG1 3.6Å; F712-V750 CarbonylContact O-C 3.58Å; F712-V750 WeakPolarHBondContact O-CA 3.47Å; V741-V750 HydrophobicContact CG1-CG2 4.25Å; V741-V750 HydrophobicContact CG2-CG2 4.08Å; F748-V750 HydrophobicContact CE2-CG2 4.44Å; V750-M771 HydrophobicContact CG2-SD 4.12Å
751	V	91.5	Very high	80.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119	-178.7	-172.5	0	0	0	0	110.5	R680 L681 V682 V711 F712 R714	R680-V751 HydrophobicContact CB-CG1 4.12Å; L681-V751 CarbonylContact O-C 3.59Å; L681-V751 VanDerWaalsContact O-CA 3.31Å; L681-V751 WeakPolarHBondContact O-CA 3.16Å; V682-V751 HydrophobicContact CG1-CG2 4.25Å; V682-V751 HydrophobicContact CG2-CG1 4.15Å; V682-V751 HydrophobicContact CG2-CG2 4.2Å; V711-V751 CarbonylContact C-O 3.59Å; V711-V751 WeakPolarHBondContact CA-O 3.38Å; F712-V751 HydrophobicContact CB-CB 4.35Å; F712-V751 PolarHBondContact N-O 2.84Å; F712-V751 PolarHBondContact O-N 2.58Å; R714-V751 HydrophobicContact CB-CG2 3.88Å
752	I	91.9	Very high	79.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122	175	-55.6	-179.5	0	0	0	108.7	W645 R680 L681 L709 N710 V711 I766 L769	W645-I752 HydrophobicContact CH2-CD1 4.2Å; W645-I752 HydrophobicContact CZ3-CD1 4.23Å; W645-I752 HydrophobicContact CZ3-CG1 4.29Å; R680-I752 CarbonylContact C-O 3.58Å; R680-I752 VanDerWaalsContact CA-O 3.3Å; R680-I752 WeakPolarHBondContact CA-O 3.3Å; L681-I752 PolarHBondContact N-O 3.14Å; L681-I752 PolarHBondContact O-N 2.98Å; L709-I752 HydrophobicContact CD1-CG2 3.7Å; L709-I752 HydrophobicContact CG-CG2 4.47Å; N710-I752 CarbonylContact O-C 3.11Å; N710-I752 WeakPolarHBondContact O-CA 3.29Å; V711-I752 HydrophobicContact CG1-CG1 4.47Å; V711-I752 HydrophobicContact CG2-CG1 4.31Å; I752-I766 HydrophobicContact CG2-CD1 4.35Å; I752-L769 HydrophobicContact CD1-CD2 3.69Å; I752-L769 HydrophobicContact CD1-CG 4.2Å
753	E	91.3	Very high	79.5	Confident	5 Å²	5	51.4 Å²	51.4	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.7	-178.5	173.2	-168.7	66.1	0	0	110.5	R678 A679 R680 L709 N710 F712 F755	R678-E753 HydrophobicContact CB-CG 4.37Å; R678-E753 WeakPolarHBondContact CD-OE2 3.33Å; R678-E753 IonicContact CZ-OE2 3.24Å; R678-E753 IonicContact NE-OE2 2.72Å; R678-E753 IonicContact NH1-OE1 3.3Å; R678-E753 IonicContact NH1-OE2 3.5Å; R678-E753 PolarHBondContact NH1-OE2 3.35Å; A679-E753 WeakPolarHBondContact O-CA 3.42Å; R680-E753 HydrophobicContact CG-CB 4.29Å; R680-E753 HydrophobicContact CG-CG 4.25Å; R680-E753 IonicContact NE-OE2 3.55Å; L709-E753 WeakPolarHBondContact CA-O 3.45Å; N710-E753 HydrophobicContact CB-CB 4.25Å; N710-E753 PolarHBondContact N-O 3.32Å; N710-E753 PolarHBondContact ND2-OE1 3.07Å; N710-E753 PolarHBondContact O-N 2.89Å; F712-E753 HydrophobicContact CD2-CB 4.47Å; F712-E753 HydrophobicContact CE2-CB 3.95Å; F712-E753 WeakPolarHBondContact CE2-OE1 3.26Å; E753-F755 HydrophobicContact CG-CD1 4.18Å
754	G	88.4	Confident	79.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.2	173.7	0	0	0	0	0	111.9	L668 A679 N708	L668-G754 WeakPolarHBondContact CD2-O 3.26Å; A679-G754 PolarHBondContact N-O 2.73Å; A679-G754 PolarHBondContact O-N 2.83Å; N708-G754 WeakPolarHBondContact O-CA 3.27Å
755	F	85.3	Confident	79.9	Confident	20 Å²	20	44 Å²	44	9%	0.088	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	165.2	176.2	68.8	-81	0	0	0	113.5	Q677 R678 N708 E753	Q677-F755 WeakPolarHBondContact O-CB 3.39Å; R678-F755 HydrophobicContact CB-CB 3.96Å; R678-F755 HydrophobicContact CG-CB 3.73Å; R678-F755 HydrophobicContact CG-CG 4.13Å; N708-F755 HydrophobicContact CB-CD1 4Å; N708-F755 HydrophobicContact CB-CD2 4.38Å; N708-F755 HydrophobicContact CB-CE1 3.66Å; N708-F755 HydrophobicContact CB-CE2 4.07Å; N708-F755 HydrophobicContact CB-CG 4.36Å; N708-F755 HydrophobicContact CB-CZ 3.71Å; N708-F755 PolarHBondContact N-O 3.08Å; N708-F755 WeakPolarHBondContact ND2-CE2 3.42Å; N708-F755 VanDerWaalsContact ND2-CZ 3.28Å; N708-F755 WeakPolarHBondContact ND2-CZ 3.31Å; N708-F755 PolarHBondContact O-N 2.77Å; E753-F755 HydrophobicContact CG-CD1 4.18Å
756	F	77.6	Confident	80.4	Confident	7 Å²	7	39 Å²	39	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.5	172.1	-72.3	-90.8	0	0	0	110.6	V670 S705 Q706 G707 I764	V670-F756 HydrophobicContact CB-CD2 4.06Å; V670-F756 HydrophobicContact CG2-CD2 3.56Å; V670-F756 HydrophobicContact CG2-CE2 4.14Å; V670-F756 HydrophobicContact CG2-CG 4.46Å; S705-F756 WeakPolarHBondContact OG-CD1 3.29Å; Q706-F756 WeakPolarHBondContact O-CD1 3.24Å; G707-F756 VanDerWaalsContact CA-CE1 3.44Å; F756-I764 HydrophobicContact CD2-CD1 4.47Å; F756-I764 HydrophobicContact CE2-CD1 3.93Å; F756-I764 HydrophobicContact CE2-CG1 3.62Å; F756-I764 HydrophobicContact CZ-CD1 4.17Å; F756-I764 HydrophobicContact CZ-CG1 3.59Å
757	H	67.2	Low	80.6	Confident	93 Å²	93	35.8 Å²	35.8	43%	0.431	17%	0.168	S	C	.	.	S	Bend	trans	-86	-18	-177.6	-136.6	44.1	0	0	0	113.6
758	H	65.4	Low	80.5	Confident	122 Å²	122	32.9 Å²	32.9	57%	0.565	16%	0.156	S	C	*	.	S	Bend	trans	-135.3	148.4	-174.7	-60.8	-24.4	0	0	0	111	T760	H758-T760 VanDerWaalsContact C-N 3.25Å; H758-T760 PolarHBondContact O-N 2.04Å
759	S	58	Low	80.4	Confident	51 Å²	51	32.8 Å²	32.8	36%	0.357	16%	0.156	S	C	.	.	S	Bend	trans	-84.6	55	-174	63.3	0	0	0	0	113.3
760	T	60.7	Low	80.1	Confident	49 Å²	49	32.6 Å²	32.6	30%	0.301	16%	0.155	S	C	.	.	S	Bend	trans	-113.7	172.2	167.6	63.5	0	0	0	0	109.4	D704 S705 H758 G762	D704-T760 PolarHBondContact O-OG1 3.19Å; S705-T760 WeakPolarHBondContact CB-OG1 3.49Å; S705-T760 PolarHBondContact N-OG1 3.47Å; S705-T760 PolarHBondContact OG-OG1 3.35Å; H758-T760 VanDerWaalsContact C-N 3.25Å; H758-T760 PolarHBondContact O-N 2.04Å; T760-G762 PolarHBondContact O-N 3.02Å
761	R	65.8	Low	79.8	Confident	159 Å²	159	33.1 Å²	33.1	60%	0.6	16%	0.157	S	C	*	.			trans	-68.8	136.1	-175.5	-71.8	178.2	174.2	166.2	-2.1	110.6	G703 D704	G703-R761 CarbonylContact C-O 3.6Å; G703-R761 VanDerWaalsContact CA-O 3.24Å; G703-R761 WeakPolarHBondContact CA-O 3.44Å; D704-R761 PolarHBondContact N-O 3.01Å
762	G	71.3	Confident	79.1	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	149.1	175.5	0	0	0	0	0	112.9	V670 T760	V670-G762 PolarHBondContact N-O 3.5Å; V670-G762 VanDerWaalsContact N-O 3.14Å; T760-G762 PolarHBondContact O-N 3.02Å
763	H	78.1	Confident	78.1	Confident	54 Å²	54	37.2 Å²	37.2	25%	0.25	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.1	178.2	-55.3	-47	0	0	0	111	L668 D669 M701 W702 W765	L668-H763 VanDerWaalsContact O-CA 3.31Å; L668-H763 WeakPolarHBondContact O-CA 3.26Å; D669-H763 VanDerWaalsContact CG-CE1 3.5Å; D669-H763 IonicContact OD1-CE1 2.74Å; D669-H763 PolarHBondContact OD1-CE1 3.15Å; D669-H763 VanDerWaalsContact OD1-CE1 3.24Å; D669-H763 IonicContact OD1-ND1 2.84Å; D669-H763 IonicContact OD2-CE1 3.22Å; M701-H763 WeakPolarHBondContact CA-O 3.17Å; W702-H763 PolarHBondContact N-O 3.16Å; W702-H763 VanDerWaalsContact N-O 3.12Å; W702-H763 PolarHBondContact O-N 3.42Å; H763-W765 HydrophobicContact CB-CD2 4.22Å; H763-W765 HydrophobicContact CB-CE3 4.11Å; H763-W765 HydrophobicContact CB-CH2 3.38Å; H763-W765 HydrophobicContact CB-CZ2 3.45Å; H763-W765 VanDerWaalsContact CB-CZ2 3.45Å; H763-W765 HydrophobicContact CB-CZ3 3.72Å; H763-W765 AromaticContact CD2-CH2 3.76Å; H763-W765 AromaticContact CD2-CZ2 3.84Å; H763-W765 AromaticContact CG-CH2 3.89Å; H763-W765 AromaticContact CG-CZ2 3.79Å
764	I	85	Confident	76.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.6	166.1	-55.5	178.2	0	0	0	106.7	W655 Y667 L668 M701 L709 F756	W655-I764 HydrophobicContact CH2-CB 4.35Å; W655-I764 HydrophobicContact CH2-CG2 3.82Å; W655-I764 HydrophobicContact CZ3-CB 4.48Å; W655-I764 HydrophobicContact CZ3-CG2 4.22Å; Y667-I764 CarbonylContact C-O 3.42Å; Y667-I764 VanDerWaalsContact CA-O 3.3Å; Y667-I764 WeakPolarHBondContact CA-O 3.32Å; L668-I764 HydrophobicContact CB-CB 4.31Å; L668-I764 HydrophobicContact CD2-CD1 4.39Å; L668-I764 PolarHBondContact N-O 2.99Å; L668-I764 PolarHBondContact O-N 3.14Å; M701-I764 HydrophobicContact CG-CB 4.23Å; M701-I764 HydrophobicContact CG-CG1 3.98Å; M701-I764 HydrophobicContact CG-CG2 3.88Å; M701-I764 HydrophobicContact SD-CD1 4.17Å; M701-I764 HydrophobicContact SD-CG1 4.02Å; M701-I764 HydrophobicContact SD-CG2 4.17Å; L709-I764 HydrophobicContact CD1-CG2 4.35Å; F756-I764 HydrophobicContact CD2-CD1 4.47Å; F756-I764 HydrophobicContact CE2-CD1 3.93Å; F756-I764 HydrophobicContact CE2-CG1 3.62Å; F756-I764 HydrophobicContact CZ-CD1 4.17Å; F756-I764 HydrophobicContact CZ-CG1 3.59Å
765	W	86.1	Confident	75.4	Confident	20 Å²	20	43.9 Å²	43.9	8%	0.076	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.3	174.5	-60	-84.4	0	0	0	109.9	Y665 L666 Y699 Q700 W702 W734 H763	Y665-W765 AromaticContact CD2-CD1 3.52Å; Y665-W765 HydrophobicContact CD2-CG 4.48Å; Y665-W765 AromaticContact CE2-CD1 3.31Å; Y665-W765 HydrophobicContact CE2-CG 4.46Å; Y665-W765 AromaticContact CE2-NE1 3.57Å; L666-W765 VanDerWaalsContact O-CA 3.31Å; L666-W765 WeakPolarHBondContact O-CA 3.36Å; Y699-W765 CarbonylContact C-O 3.59Å; Y699-W765 VanDerWaalsContact CA-O 3.22Å; Y699-W765 WeakPolarHBondContact CA-O 3.36Å; Q700-W765 HydrophobicContact CB-CB 4.2Å; Q700-W765 HydrophobicContact CB-CE3 3.87Å; Q700-W765 HydrophobicContact CG-CE3 3.71Å; Q700-W765 HydrophobicContact CG-CZ3 4.06Å; Q700-W765 PolarHBondContact N-O 3.16Å; Q700-W765 PolarHBondContact O-N 2.86Å; Q700-W765 VanDerWaalsContact OE1-CE3 3.23Å; W702-W765 HydrophobicContact CB-CZ3 4.12Å; W702-W765 HydrophobicContact CE3-CH2 4.46Å; W734-W765 HydrophobicContact CH2-CB 3.65Å; W734-W765 HydrophobicContact CZ2-CB 4.35Å; W734-W765 HydrophobicContact CZ3-CB 4.04Å; H763-W765 HydrophobicContact CB-CD2 4.22Å; H763-W765 HydrophobicContact CB-CE3 4.11Å; H763-W765 HydrophobicContact CB-CH2 3.38Å; H763-W765 HydrophobicContact CB-CZ2 3.45Å; H763-W765 VanDerWaalsContact CB-CZ2 3.45Å; H763-W765 HydrophobicContact CB-CZ3 3.72Å; H763-W765 AromaticContact CD2-CH2 3.76Å; H763-W765 AromaticContact CD2-CZ2 3.84Å; H763-W765 AromaticContact CG-CH2 3.89Å; H763-W765 AromaticContact CG-CZ2 3.79Å
766	I	88.2	Confident	74.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.7	173.1	63.7	179.3	0	0	0	110.9	W655 L666 L681 S698 L709 I752	W655-I766 HydrophobicContact CD2-CD1 4.29Å; W655-I766 HydrophobicContact CE3-CD1 4.21Å; W655-I766 HydrophobicContact CE3-CG1 4.26Å; W655-I766 HydrophobicContact CH2-CD1 3.89Å; W655-I766 HydrophobicContact CH2-CG1 4.2Å; W655-I766 HydrophobicContact CH2-CG2 4.09Å; W655-I766 HydrophobicContact CZ2-CD1 3.98Å; W655-I766 HydrophobicContact CZ3-CD1 4.01Å; W655-I766 HydrophobicContact CZ3-CG1 3.94Å; W655-I766 HydrophobicContact CZ3-CG2 4.38Å; L666-I766 HydrophobicContact CB-CD1 4.48Å; L666-I766 HydrophobicContact CB-CG1 3.8Å; L666-I766 HydrophobicContact CD1-CD1 4.42Å; L666-I766 HydrophobicContact CD1-CG1 4.49Å; L666-I766 PolarHBondContact N-O 2.72Å; L666-I766 VanDerWaalsContact N-O 3.15Å; L666-I766 PolarHBondContact O-N 2.91Å; L681-I766 HydrophobicContact CD2-CD1 4.18Å; S698-I766 WeakPolarHBondContact O-CA 3.24Å; L709-I766 HydrophobicContact CD1-CG2 4.32Å; L709-I766 HydrophobicContact CD2-CG2 4.07Å; I752-I766 HydrophobicContact CG2-CD1 4.35Å
767	D	84.1	Confident	73.8	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.032	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	169.8	-175.8	-154.1	-7.5	0	0	0	111.5	S698 W734 L769	S698-D767 WeakPolarHBondContact CA-O 3.47Å; S698-D767 WeakPolarHBondContact CB-O 3.28Å; S698-D767 PolarHBondContact N-O 3.42Å; S698-D767 PolarHBondContact O-N 2.9Å; W734-D767 HydrophobicContact CH2-CB 3.76Å; W734-D767 HydrophobicContact CZ3-CB 3.87Å; D767-L769 WeakPolarHBondContact O-CD1 3.22Å; D767-L769 PolarHBondContact O-N 2.8Å
768	N	84	Confident	73.4	Confident	51 Å²	51	53 Å²	53	27%	0.273	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.2	44.6	174.1	-56.3	-56.8	0	0	0	115.6	M635 C636 S698 H770	M635-N768 HydrophobicContact SD-CB 4.44Å; C636-N768 CarbonylContact O-C 3.44Å; C636-N768 WeakPolarHBondContact O-CA 3.21Å; C636-N768 PolarHBondContact O-N 2.86Å; S698-N768 PolarHBondContact OG-ND2 3.46Å; N768-H770 PolarHBondContact O-N 3.07Å
769	L	87	Confident	73.4	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.1	-179.6	-82.4	61.1	0	0	0	110.9	C636 F638 W645 L681 L696 F697 I752 D767	C636-L769 HydrophobicContact CB-CB 4.32Å; C636-L769 WeakPolarHBondContact CB-O 3.22Å; C636-L769 PolarHBondContact N-O 3.36Å; C636-L769 PolarHBondContact O-N 3.08Å; F638-L769 HydrophobicContact CE2-CD1 3.75Å; F638-L769 HydrophobicContact CZ-CD1 3.79Å; F638-L769 HydrophobicContact CZ-CD2 3.93Å; F638-L769 HydrophobicContact CZ-CG 4.35Å; W645-L769 HydrophobicContact CD2-CD2 3.99Å; W645-L769 HydrophobicContact CE3-CD2 4.22Å; W645-L769 HydrophobicContact CH2-CD2 3.99Å; W645-L769 HydrophobicContact CZ2-CB 4.23Å; W645-L769 HydrophobicContact CZ2-CD2 3.72Å; W645-L769 HydrophobicContact CZ2-CG 4.44Å; W645-L769 HydrophobicContact CZ3-CD2 4.23Å; L681-L769 HydrophobicContact CD2-CD2 3.85Å; L696-L769 WeakPolarHBondContact O-CA 3.39Å; F697-L769 HydrophobicContact CB-CD1 3.86Å; F697-L769 HydrophobicContact CB-CG 4Å; I752-L769 HydrophobicContact CD1-CD2 3.69Å; I752-L769 HydrophobicContact CD1-CG 4.2Å; D767-L769 WeakPolarHBondContact O-CD1 3.22Å; D767-L769 PolarHBondContact O-N 2.8Å
770	H	84.8	Confident	74	Confident	44 Å²	44	49.7 Å²	49.7	20%	0.204	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.5	-178.3	-178.4	-135.8	0	0	0	111.8	L633 M635 L695 L696 N768	L633-H770 PolarHBondContact O-CD2 2.86Å; L633-H770 VanDerWaalsContact O-CD2 3.22Å; M635-H770 HydrophobicContact CB-CB 4.3Å; M635-H770 HydrophobicContact CG-CB 4.45Å; L695-H770 WeakPolarHBondContact CA-O 3.24Å; L696-H770 HydrophobicContact CB-CB 4.47Å; L696-H770 PolarHBondContact N-O 2.93Å; L696-H770 PolarHBondContact O-N 2.9Å; N768-H770 PolarHBondContact O-N 3.07Å
771	M	84	Confident	74	Confident	11 Å²	11	51.7 Å²	51.7	5%	0.054	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	93.6	177.9	-74.9	-173.3	-77.5	0	0	110.4	L633 W645 V686 C694 L695 V750	L633-M771 HydrophobicContact CB-CB 4.36Å; L633-M771 HydrophobicContact CD1-CB 4.32Å; L633-M771 HydrophobicContact CD1-CE 4.12Å; W645-M771 HydrophobicContact CZ2-CE 3.93Å; V686-M771 HydrophobicContact CG2-SD 4.44Å; C694-M771 WeakPolarHBondContact O-CA 3.17Å; L695-M771 HydrophobicContact CD1-CG 3.55Å; L695-M771 HydrophobicContact CD1-SD 4.32Å; V750-M771 HydrophobicContact CG2-SD 4.12Å
772	S	77.7	Confident	73.7	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.028	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.3	-171.5	-178.2	0	0	0	0	112.6	L693 C694 S774 S775	L693-S772 CarbonylContact C-O 3.54Å; L693-S772 WeakPolarHBondContact CA-O 3.2Å; C694-S772 PolarHBondContact N-O 2.83Å; C694-S772 PolarHBondContact O-N 3.02Å; S772-S774 PolarHBondContact OG-N 3.48Å; S772-S774 PolarHBondContact OG-OG 3.16Å; S772-S775 VanDerWaalsContact CB-OG 3.27Å; S772-S775 WeakPolarHBondContact CB-OG 3.2Å; S772-S775 WeakPolarHBondContact OG-CB 2.95Å; S772-S775 PolarHBondContact OG-N 2.65Å; S772-S775 PolarHBondContact OG-OG 2.85Å
773	A	69.3	Low	72.4	Confident	83 Å²	83	53.8 Å²	53.8	69%	0.686	31%	0.305	S	S	*	.	S	Bend	trans	-95.2	-9.2	166.8	0	0	0	0	0	113.1	L693	L693-A773 HydrophobicContact CD2-CB 3.6Å
774	S	60.6	Low	70.5	Confident	109 Å²	109	57 Å²	57	76%	0.762	32%	0.318	S	S	*	.	S	Bend	trans	-105.5	-10.6	-174.1	49.2	0	0	0	0	114	S772 P776	S772-S774 PolarHBondContact OG-N 3.48Å; S772-S774 PolarHBondContact OG-OG 3.16Å; S774-P776 WeakPolarHBondContact O-CD 3.24Å
775	S	63	Low	68	Low	35 Å²	35	61.9 Å²	61.9	25%	0.245	35%	0.353	C	S	.	.	S	Bend	trans	-73.8	124.6	173.8	-62.1	0	0	0	0	109.9	S772 L777	S772-S775 VanDerWaalsContact CB-OG 3.27Å; S772-S775 WeakPolarHBondContact CB-OG 3.2Å; S772-S775 WeakPolarHBondContact OG-CB 2.95Å; S772-S775 PolarHBondContact OG-N 2.65Å; S772-S775 PolarHBondContact OG-OG 2.85Å; S775-L777 PolarHBondContact O-N 2.85Å
776	P	66.3	Low	65.4	Low	67 Å²	67	64.7 Å²	64.7	44%	0.435	38%	0.381	S	S	.	.			trans	-52.7	130.3	174.3	-30.7	38.3	0	0	0	112.5	S774 K778 E779 C780	S774-P776 WeakPolarHBondContact O-CD 3.24Å; P776-K778 PolarHBondContact O-N 2.83Å; P776-E779 HydrophobicContact CB-CG 4.3Å; P776-E779 WeakPolarHBondContact CD-OE2 3.3Å; P776-E779 VanDerWaalsContact CG-OE1 3.28Å; P776-E779 WeakPolarHBondContact CG-OE1 3.38Å; P776-E779 WeakPolarHBondContact O-CB 3.31Å; P776-E779 PolarHBondContact O-N 3.11Å; P776-C780 PolarHBondContact O-N 2.95Å
777	L	63.5	Low	62.5	Low	85 Å²	85	73 Å²	73	45%	0.445	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.7	-176.4	-71.4	161.9	0	0	0	113.3	P692 I740 S775 C780 T781	P692-L777 HydrophobicContact CB-CD2 3.87Å; P692-L777 HydrophobicContact CG-CD1 3.85Å; P692-L777 HydrophobicContact CG-CD2 3.8Å; P692-L777 HydrophobicContact CG-CG 4.4Å; I740-L777 HydrophobicContact CD1-CB 4.45Å; I740-L777 HydrophobicContact CD1-CD2 3.92Å; I740-L777 HydrophobicContact CG1-CD2 4.22Å; I740-L777 HydrophobicContact CG2-CD2 4.37Å; S775-L777 PolarHBondContact O-N 2.85Å; L777-C780 WeakPolarHBondContact O-CB 3Å; L777-C780 PolarHBondContact O-N 2.84Å; L777-T781 PolarHBondContact O-N 3.29Å; L777-T781 PolarHBondContact O-OG1 2.55Å
778	K	58.8	Low	59.8	Low	159 Å²	159	78.4 Å²	78.4	69%	0.691	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-46.6	176.2	-168.6	-176	177.6	-166.2	0	112.3	P776 C780 T781 E782	P776-K778 PolarHBondContact O-N 2.83Å; K778-C780 PolarHBondContact O-N 3.12Å; K778-T781 PolarHBondContact O-N 3.02Å; K778-T781 PolarHBondContact O-OG1 2.77Å; K778-E782 PolarHBondContact O-N 2.81Å
779	E	65.8	Low	57.3	Low	99 Å²	99	81.9 Å²	81.9	46%	0.463	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.3	177.2	-65.3	165.1	-153.6	0	0	111.5	R738 P776 T781	R738-E779 VanDerWaalsContact CD-O 3.31Å; R738-E779 WeakPolarHBondContact CD-O 3.21Å; R738-E779 PolarHBondContact NH1-O 2.81Å; P776-E779 HydrophobicContact CB-CG 4.3Å; P776-E779 WeakPolarHBondContact CD-OE2 3.3Å; P776-E779 VanDerWaalsContact CG-OE1 3.28Å; P776-E779 WeakPolarHBondContact CG-OE1 3.38Å; P776-E779 WeakPolarHBondContact O-CB 3.31Å; P776-E779 PolarHBondContact O-N 3.11Å; E779-T781 VanDerWaalsContact C-N 3.26Å; E779-T781 PolarHBondContact O-N 3.09Å
780	C	69.6	Low	54.5	Low	5 Å²	5	89.8 Å²	89.8	3%	0.034	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.9	174.9	-152.3	0	0	0	0	114.1	C694 T739 I740 P776 L777 K778	C694-C780 WeakPolarHBondContact CA-SG 3.28Å; C694-C780 HydrophobicContact CB-CB 3.78Å; C694-C780 WeakPolarHBondContact CB-SG 3.39Å; C694-C780 WeakPolarHBondContact SG-CB 3.32Å; C694-C780 CovalentContact SG-SG 2.04Å; C694-C780 PolarHBondContact SG-SG 3.18Å; T739-C780 VanDerWaalsContact C-SG 3.51Å; T739-C780 PolarHBondContact O-SG 3.26Å; T739-C780 VanDerWaalsContact O-SG 3.38Å; I740-C780 HydrophobicContact CG1-CB 3.89Å; P776-C780 PolarHBondContact O-N 2.95Å; L777-C780 WeakPolarHBondContact O-CB 3Å; L777-C780 PolarHBondContact O-N 2.84Å; K778-C780 PolarHBondContact O-N 3.12Å
781	T	61.5	Low	51.8	Low	92 Å²	92	95.1 Å²	95.1	56%	0.564	55%	0.547	S	S	*	.	S	Bend	trans	-112.2	-2.7	-174	53.7	0	0	0	0	115	I740 L777 K778 E779	I740-T781 HydrophobicContact CD1-CG2 3.45Å; I740-T781 VanDerWaalsContact CD1-CG2 3.45Å; I740-T781 HydrophobicContact CG1-CG2 4.2Å; L777-T781 PolarHBondContact O-N 3.29Å; L777-T781 PolarHBondContact O-OG1 2.55Å; K778-T781 PolarHBondContact O-N 3.02Å; K778-T781 PolarHBondContact O-OG1 2.77Å; E779-T781 VanDerWaalsContact C-N 3.26Å; E779-T781 PolarHBondContact O-N 3.09Å
782	E	59.3	Low	49.7	Very low	91 Å²	91	100.1 Å²	100.1	43%	0.425	58%	0.58	S	S	.	*			trans	-69.1	145.9	179.2	-74.3	167.9	176.5	0	0	112.3	R738 K778	R738-E782 VanDerWaalsContact CZ-CB 3.42Å; R738-E782 IonicContact CZ-OE2 2.62Å; R738-E782 PolarHBondContact NE-O 3.25Å; R738-E782 IonicContact NH1-OE2 2.65Å; R738-E782 PolarHBondContact NH1-OE2 2.77Å; R738-E782 PolarHBondContact NH2-O 2.8Å; R738-E782 IonicContact NH2-OE2 2.84Å; R738-E782 PolarHBondContact NH2-OE2 3.08Å; K778-E782 PolarHBondContact O-N 2.81Å
783	P	45	Very low	47.1	Very low	113 Å²	113	102.4 Å²	102.4	73%	0.734	61%	0.605	S	S	*	*			trans	-66	169.4	176.2	29.6	-35.7	0	0	0	112.4	R738 S785	R738-P783 PolarHBondContact NH2-O 3.09Å; P783-S785 PolarHBondContact O-N 2.75Å; P783-S785 VanDerWaalsContact O-N 3.15Å
784	F	36.8	Very low	45.1	Very low	120 Å²	120	103.9 Å²	103.9	53%	0.526	61%	0.605	S	S	.	*			trans	-69.2	108.4	-178.7	-56.2	-79.5	0	0	0	112.1	W724	W724-F784 HydrophobicContact CZ2-CE1 4.27Å; W724-F784 HydrophobicContact CZ2-CZ 4.01Å
785	S	33.6	Very low	43.5	Very low	104 Å²	104	108.5 Å²	108.5	73%	0.727	61%	0.606	S	S	*	*			trans	-79.8	148.5	155.7	46	0	0	0	0	109.7	P783	P783-S785 PolarHBondContact O-N 2.75Å; P783-S785 VanDerWaalsContact O-N 3.15Å
786	A	31.4	Very low	41.7	Very low	79 Å²	79	114.7 Å²	114.7	65%	0.653	63%	0.631	S	S	*	*			trans	-92.4	141.9	173	0	0	0	0	0	110.7
787	F	27	Very low	39.8	Very low	175 Å²	175	119.4 Å²	119.4	77%	0.768	65%	0.651	S	S	*	*			trans	77.9	130.5	170.4	-52.3	-73.8	0	0	0	119.6	V733	V733-F787 HydrophobicContact CG1-CE1 4.35Å
788	S	26.3	Very low	38	Very low	119 Å²	119	118.4 Å²	118.4	83%	0.832	66%	0.661	S	S	*	*			trans	-136.4	159.7	134.5	-106.3	0	0	0	0	108.9
789	P	32.3	Very low	36.4	Very low	123 Å²	123	119.1 Å²	119.1	80%	0.799	67%	0.672	S	S	*	*			trans	-95.4	148.6	-166.6	35.7	-34.8	0	0	0	114.8
790	E	27.7	Very low	34.6	Very low	168 Å²	168	117.2 Å²	117.2	79%	0.785	68%	0.68	S	S	*	*			trans	-104.1	151.6	165.9	-75.5	-166.5	136.1	0	0	112.5
791	N	27.8	Very low	32.4	Very low	156 Å²	156	128.2 Å²	128.2	83%	0.834	72%	0.721	S	S	*	*			trans	-168.4	155.8	174.8	-139.2	6.4	0	0	0	109.4
792	P	40	Very low	30.6	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	73%	0.73	S	S	*	*			cis	-129.2	149.4	-48	24.1	-5.1	0	0	0	114.5
793	G	24.2	Very low	28.9	Very low	53 Å²	53	130.8 Å²	130.8	55%	0.546	74%	0.74	S	S	.	*			trans	153.3	150.3	159.9	0	0	0	0	0	115.4
794	T	26.6	Very low	27.8	Very low	113 Å²	113	134.4 Å²	134.4	69%	0.693	75%	0.749	S	S	*	*			cis	-155.7	124.5	-3	-36.7	0	0	0	0	112.8
795	R	26.4	Very low	27.1	Very low	207 Å²	207	132 Å²	132	78%	0.781	76%	0.759	S	S	*	*			trans	44.3	129.6	147.4	-71.6	-176.1	175.2	-169.1	-1.3	124.4
796	H	25.6	Very low	26.7	Very low	165 Å²	165	137.8 Å²	137.8	76%	0.764	77%	0.765	S	S	*	*			trans	65.3	155.2	151	-49.7	-50.4	0	0	0	116.5
797	I	27.3	Very low	26.5	Very low	165 Å²	165	140 Å²	140	85%	0.846	77%	0.765	S	S	*	*			cis	-136.2	151.1	12.4	-58.8	162.6	0	0	0	106.6
798	G	24.1	Very low	27.2	Very low	64 Å²	64	137.3 Å²	137.3	66%	0.66	77%	0.765	S	S	*	*			cis	122.9	78.7	2.4	0	0	0	0	0	113.9
799	D	27.2	Very low	27.2	Very low	174 Å²	174	140 Å²	140	93%	0.93	77%	0.77	S	S	*	*			trans	-162.7	177.7	154.3	-134.1	-32.4	0	0	0	115.2
800	G	26.2	Very low	26.9	Very low	60 Å²	60	137.6 Å²	137.6	62%	0.619	77%	0.767	S	S	*	*			trans	-46.5	139.4	-168.1	0	0	0	0	0	117.7
801	R	24.6	Very low	26.8	Very low	236 Å²	236	135.6 Å²	135.6	89%	0.891	77%	0.772	S	S	*	*			cis	77.5	130.5	40.4	-151.5	-166.7	-159.1	-171.2	7.3	113.7
802	L	23.8	Very low	26.6	Very low	145 Å²	145	131.3 Å²	131.3	76%	0.759	76%	0.764	S	S	*	*			trans	93.1	98.2	165.9	-56.5	174.9	0	0	0	120.5
803	S	22.1	Very low	25.9	Very low	92 Å²	92	133 Å²	133	64%	0.643	77%	0.766	S	S	*	*				81.3	139.7	108.8	-62.2	0	0	0	0	123.7
804	M	22.8	Very low	25.8	Very low	188 Å²	188	138.7 Å²	138.7	93%	0.926	78%	0.778	S	S	*	*			trans	64.3	121.7	147.6	-69.2	176.2	-173.5	0	0	120.1
805	G	22.7	Very low	25.7	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	78%	0.777	S	S	*	*				136	115.1	84.9	0	0	0	0	0	119.2
806	R	24.2	Very low	26.2	Very low	226 Å²	226	135.2 Å²	135.2	85%	0.853	78%	0.776	S	S	*	*			trans	66	130.7	139.7	-87.1	-170.7	134.5	126.8	7	123.1
807	D	26.8	Very low	26.3	Very low	125 Å²	125	133.9 Å²	133.9	67%	0.668	77%	0.77	S	S	*	*			trans	73.9	120.7	134.5	-54.6	-15.8	0	0	0	120.1
808	P	42.4	Very low	26.2	Very low	118 Å²	118	138.1 Å²	138.1	77%	0.766	78%	0.775	S	S	*	*			trans	-99.5	166	179.3	39.5	-35.6	0	0	0	113.5
809	L	26.8	Very low	26.2	Very low	177 Å²	177	140.7 Å²	140.7	93%	0.927	77%	0.774	S	S	*	*			trans	-147.6	104.7	168.3	-133.6	108	0	0	0	115
810	G	25.9	Very low	26.2	Very low	72 Å²	72	138.7 Å²	138.7	74%	0.742	77%	0.768	S	S	*	*				71.8	130.8	127.4	0	0	0	0	0	123.1
811	S	25.5	Very low	26.9	Very low	126 Å²	126	141.2 Å²	141.2	88%	0.881	77%	0.773	S	S	*	*			trans	75.1	142.4	156.5	-151.1	0	0	0	0	118
812	G	24	Very low	26.9	Very low	65 Å²	65	136 Å²	136	67%	0.67	77%	0.768	S	S	*	*			cis	163.4	174.2	-8.4	0	0	0	0	0	114.7
813	L	24.8	Very low	27.4	Very low	152 Å²	152	134.2 Å²	134.2	80%	0.796	77%	0.767	S	S	*	*			trans	80.2	117.9	163.7	-76.7	72.2	0	0	0	122
814	H	22.3	Very low	28.2	Very low	172 Å²	172	135.2 Å²	135.2	80%	0.796	77%	0.772	S	S	*	*			trans	85.4	106.4	130.6	-87.3	-69.5	0	0	0	126.3
815	I	24.4	Very low	28.4	Very low	131 Å²	131	131 Å²	131	67%	0.672	76%	0.761	S	S	*	*			trans	-54.4	160.4	142.5	1.5	173.2	0	0	0	113.2
816	P	37.2	Very low	28.7	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	76%	0.758	S	S	*	*				-127.2	144.2	71.8	6.6	17.8	0	0	0	114.9
817	E	26.5	Very low	28.9	Very low	137 Å²	137	128.5 Å²	128.5	64%	0.64	76%	0.755	S	S	*	*				75.3	137.3	72.6	-68.2	-168.8	151.9	0	0	117
818	W	26.2	Very low	29.3	Very low	254 Å²	254	127.7 Å²	127.7	96%	0.962	76%	0.757	S	S	*	*				-156.1	155.5	125.2	-119.4	76.4	0	0	0	111.1
819	N	24.3	Very low	29.1	Very low	118 Å²	118	127.5 Å²	127.5	63%	0.631	76%	0.756	S	S	*	*			trans	-96.8	159.4	-146.4	-76.3	-61.8	0	0	0	118.5
820	V	27.6	Very low	29	Very low	132 Å²	132	125.1 Å²	125.1	80%	0.8	75%	0.748	S	S	*	*			trans	-82.7	-177.4	156.1	-140.8	0	0	0	0	109.3
821	P	40	Very low	29	Very low	113 Å²	113	126.7 Å²	126.7	73%	0.734	74%	0.744	S	S	*	*				-140	-166.7	57.2	30.5	-2.7	0	0	0	111.4
822	T	24.8	Very low	28.9	Very low	127 Å²	127	128.7 Å²	128.7	78%	0.779	74%	0.738	S	S	*	*			cis	-151.5	136	30.5	49.5	0	0	0	0	114.8
823	S	33.7	Very low	28.9	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	75%	0.749	S	S	*	*			trans	-94.7	-170.5	147.1	60.1	0	0	0	0	109.6
824	P	38.8	Very low	28.9	Very low	113 Å²	113	130.5 Å²	130.5	73%	0.734	75%	0.748	S	S	*	*				-120.2	-158.1	64	25.9	-4.5	0	0	0	110.3
825	S	27.5	Very low	29.2	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	74%	0.744	S	S	*	*			cis	-164	178.6	14.7	-18.1	0	0	0	0	107.5
826	S	29.4	Very low	29.3	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	74%	0.743	S	S	*	*			cis	165	151.6	-22.1	60.4	0	0	0	0	105.6
827	D	27.5	Very low	28.9	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	74%	0.738	S	S	*	*			cis	-179.3	174.8	2.6	-115.9	49.4	0	0	0	106.6
828	P	35.1	Very low	29.1	Very low	108 Å²	108	131.5 Å²	131.5	70%	0.701	75%	0.746	S	S	*	*			cis	-134.1	-145.6	-18	45.6	-24.9	0	0	0	111.1
829	P	38.2	Very low	29.3	Very low	114 Å²	114	124.4 Å²	124.4	74%	0.74	74%	0.736	S	S	*	*				-143.2	-161.6	-124.1	35.2	-6.9	0	0	0	117.5
830	V	25.8	Very low	29.7	Very low	127 Å²	127	130.1 Å²	130.1	77%	0.77	75%	0.749	S	S	*	*			trans	138.1	140.3	136.6	175.3	0	0	0	0	116.5
831	T	24.5	Very low	29.8	Very low	105 Å²	105	132 Å²	132	64%	0.644	75%	0.753	S	S	*	*			trans	-66.4	-179.3	178.2	55.3	0	0	0	0	115.9
832	H	24.9	Very low	29.7	Very low	167 Å²	167	136.5 Å²	136.5	77%	0.773	76%	0.757	S	S	*	*			cis	-141.9	177.6	10.8	-93.1	-71.5	0	0	0	108.1
833	T	23.4	Very low	30.6	Very low	146 Å²	146	136.9 Å²	136.9	90%	0.896	76%	0.759	S	S	*	*				-175.9	-169.1	61.4	-17.7	0	0	0	0	110.8
834	S	24.2	Very low	31.4	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	76%	0.758	S	S	*	*			trans	-120.9	165.8	-168	-169.4	0	0	0	0	115.9
835	E	28.7	Very low	32.3	Very low	152 Å²	152	137.2 Å²	137.2	71%	0.71	75%	0.746	S	S	*	*			trans	99.8	122.3	151.4	-103.7	-165.7	-136.7	0	0	123.6
836	K	27.2	Very low	33.4	Very low	149 Å²	149	137.2 Å²	137.2	65%	0.648	74%	0.744	S	S	*	*			trans	76.9	120	144.6	-80.7	-168.3	-178.5	104	0	125.3
837	D	29.8	Very low	34.7	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	74%	0.74	S	S	*	*				62.2	121.2	128.3	-53.6	-12.1	0	0	0	123.3
838	N	30.2	Very low	35.7	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	72%	0.721	S	S	*	*			trans	110.9	147	143.6	-64.8	-41	0	0	0	121.1
839	S	30.2	Very low	36.8	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	71%	0.711	S	S	*	*			trans	54.9	96.6	163.4	52.3	0	0	0	0	119.4	L841	S839-L841 PolarHBondContact O-N 3.41Å
840	W	32.3	Very low	38	Very low	238 Å²	238	132.1 Å²	132.1	90%	0.902	70%	0.701	S	S	*	*				-1.4	114.3	127.4	-67.9	68.7	0	0	0	117
841	L	29.8	Very low	39.8	Very low	171 Å²	171	130.6 Å²	130.6	90%	0.895	69%	0.687	S	S	*	*				-163.9	140.7	118.5	-105.8	164.4	0	0	0	109	S839	S839-L841 PolarHBondContact O-N 3.41Å
842	Y	37.4	Very low	41.5	Very low	208 Å²	208	130.4 Å²	130.4	82%	0.816	68%	0.681	S	S	*	*			trans	-75.2	151.1	-170.5	-92.3	-90.4	0	0	0	113.4	L844	Y842-L844 PolarHBondContact O-N 2.86Å
843	T	44.9	Very low	43.4	Very low	134 Å²	134	126.5 Å²	126.5	82%	0.822	67%	0.669	S	S	*	*			trans	-61.8	117.1	-177.2	48.7	0	0	0	0	113.3
844	L	48.8	Very low	45.3	Very low	137 Å²	137	125.8 Å²	125.8	72%	0.717	66%	0.657	S	S	*	*			trans	-131.1	154.7	157.6	-85.7	172.7	0	0	0	110.2	Y842 L848	Y842-L844 PolarHBondContact O-N 2.86Å; L844-L848 HydrophobicContact CD1-CD2 4.48Å; L844-L848 HydrophobicContact CD2-CD2 4.21Å
845	D	58.2	Low	46.9	Very low	90 Å²	90	123.8 Å²	123.8	48%	0.481	64%	0.643	S	S	.	*			trans	-67.2	133.3	-164.9	-164.6	-56.1	0	0	0	113.1	I847 L848 V849	D845-I847 PolarHBondContact O-N 2.86Å; D845-I847 VanDerWaalsContact O-N 3.1Å; D845-I847 WeakPolarHBondContact OD1-CB 3.14Å; D845-I847 WeakPolarHBondContact OD1-CG1 3.03Å; D845-I847 PolarHBondContact OD1-N 2.82Å; D845-L848 HydrophobicContact CB-CB 4.41Å; D845-L848 WeakPolarHBondContact O-CB 3.05Å; D845-L848 PolarHBondContact O-N 2.68Å; D845-V849 PolarHBondContact O-N 2.84Å
846	P	51.9	Low	48.6	Very low	100 Å²	100	119.8 Å²	119.8	65%	0.649	63%	0.632	S	S	*	*	H	α-helix	trans	-53.7	-28.3	175.9	-28.2	35.9	0	0	0	115	T850	P846-T850 PolarHBondContact O-N 2.95Å; P846-T850 PolarHBondContact O-OG1 2.98Å
847	I	54.9	Low	50.6	Low	116 Å²	116	117.1 Å²	117.1	60%	0.595	63%	0.625	S	S	*	*	H	α-helix	trans	-66.7	-41.8	175.4	-62.3	174.8	0	0	0	110.2	D845 T850 I851	D845-I847 PolarHBondContact O-N 2.86Å; D845-I847 VanDerWaalsContact O-N 3.1Å; D845-I847 WeakPolarHBondContact OD1-CB 3.14Å; D845-I847 WeakPolarHBondContact OD1-CG1 3.03Å; D845-I847 PolarHBondContact OD1-N 2.82Å; I847-T850 PolarHBondContact O-N 2.98Å; I847-I851 HydrophobicContact CG2-CD1 3.95Å; I847-I851 WeakPolarHBondContact O-CG1 3.06Å; I847-I851 PolarHBondContact O-N 2.92Å
848	L	48.7	Very low	52.3	Low	77 Å²	77	113.4 Å²	113.4	40%	0.403	62%	0.615	S	S	.	*	H	α-helix	trans	-65.5	-43.4	-179.4	-172.1	66.5	0	0	0	111.5	L844 D845 T850 I851 I852	L844-L848 HydrophobicContact CD1-CD2 4.48Å; L844-L848 HydrophobicContact CD2-CD2 4.21Å; D845-L848 HydrophobicContact CB-CB 4.41Å; D845-L848 WeakPolarHBondContact O-CB 3.05Å; D845-L848 PolarHBondContact O-N 2.68Å; L848-T850 VanDerWaalsContact C-N 3.32Å; L848-T850 PolarHBondContact O-N 3.18Å; L848-I851 PolarHBondContact O-N 3.02Å; L848-I852 HydrophobicContact CG-CD1 4.05Å; L848-I852 WeakPolarHBondContact O-CG1 3.44Å; L848-I852 PolarHBondContact O-N 3.38Å
849	V	59	Low	54	Low	81 Å²	81	111.3 Å²	111.3	49%	0.491	61%	0.607	S	S	.	*	H	α-helix	trans	-60.2	-43.5	175.4	-178.9	0	0	0	0	110.9	D845 I851 I852 V853	D845-V849 PolarHBondContact O-N 2.84Å; V849-I851 VanDerWaalsContact C-N 3.33Å; V849-I851 PolarHBondContact O-N 2.85Å; V849-I852 PolarHBondContact O-N 3.23Å; V849-V853 WeakPolarHBondContact O-CG2 3.47Å; V849-V853 PolarHBondContact O-N 3.28Å
850	T	62.3	Low	55.4	Low	84 Å²	84	111.9 Å²	111.9	52%	0.515	60%	0.602	S	S	.	*	H	α-helix	trans	-64.1	-38.6	179.3	-53.1	0	0	0	0	111.9	P846 I847 L848 M854	P846-T850 PolarHBondContact O-N 2.95Å; P846-T850 PolarHBondContact O-OG1 2.98Å; I847-T850 PolarHBondContact O-N 2.98Å; L848-T850 VanDerWaalsContact C-N 3.32Å; L848-T850 PolarHBondContact O-N 3.18Å; T850-M854 WeakPolarHBondContact O-CG 3.34Å; T850-M854 PolarHBondContact O-N 3.37Å; T850-M854 VanDerWaalsContact O-N 3.12Å
851	I	63.6	Low	57	Low	96 Å²	96	105.7 Å²	105.7	49%	0.492	59%	0.586	S	S	.	*	H	α-helix	trans	-65	-48.7	174.6	-69	166.7	0	0	0	110.6	I847 L848 V849 V853 M854 S855	I847-I851 HydrophobicContact CG2-CD1 3.95Å; I847-I851 WeakPolarHBondContact O-CG1 3.06Å; I847-I851 PolarHBondContact O-N 2.92Å; L848-I851 PolarHBondContact O-N 3.02Å; V849-I851 VanDerWaalsContact C-N 3.33Å; V849-I851 PolarHBondContact O-N 2.85Å; I851-V853 VanDerWaalsContact C-N 3.31Å; I851-V853 PolarHBondContact O-N 3.24Å; I851-M854 PolarHBondContact O-N 2.92Å; I851-M854 VanDerWaalsContact O-N 3.15Å; I851-S855 WeakPolarHBondContact O-CB 3.17Å; I851-S855 PolarHBondContact O-N 2.96Å; I851-S855 PolarHBondContact O-OG 2.79Å
852	I	61.8	Low	58.5	Low	101 Å²	101	99.5 Å²	99.5	52%	0.518	56%	0.563	S	S	.	*	H	α-helix	trans	-58.4	-42.1	-179.7	-69.2	164.7	0	0	0	111.7	L848 V849 S856	L848-I852 HydrophobicContact CG-CD1 4.05Å; L848-I852 WeakPolarHBondContact O-CG1 3.44Å; L848-I852 PolarHBondContact O-N 3.38Å; V849-I852 PolarHBondContact O-N 3.23Å; I852-S856 WeakPolarHBondContact O-CB 3.33Å; I852-S856 PolarHBondContact O-N 3.04Å; I852-S856 PolarHBondContact O-OG 3.37Å
853	V	64.8	Low	59.7	Low	85 Å²	85	92.5 Å²	92.5	52%	0.515	55%	0.549	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.3	172.3	0	0	0	0	112	V849 I851 S856 L857	V849-V853 WeakPolarHBondContact O-CG2 3.47Å; V849-V853 PolarHBondContact O-N 3.28Å; I851-V853 VanDerWaalsContact C-N 3.31Å; I851-V853 PolarHBondContact O-N 3.24Å; V853-S856 PolarHBondContact O-OG 2.9Å; V853-S856 VanDerWaalsContact O-OG 3.11Å; V853-L857 WeakPolarHBondContact O-CB 3.4Å; V853-L857 PolarHBondContact O-N 2.74Å
854	M	63.2	Low	60.5	Low	130 Å²	130	90.2 Å²	90.2	64%	0.64	53%	0.534	S	S	*	.	H	α-helix	trans	-72.8	-38.4	177.7	-71.1	-67.1	-177.2	0	0	112.7	T850 I851 G858	T850-M854 WeakPolarHBondContact O-CG 3.34Å; T850-M854 PolarHBondContact O-N 3.37Å; T850-M854 VanDerWaalsContact O-N 3.12Å; I851-M854 PolarHBondContact O-N 2.92Å; I851-M854 VanDerWaalsContact O-N 3.15Å; M854-G858 PolarHBondContact O-N 3.32Å
855	S	57.2	Low	60.6	Low	69 Å²	69	87.4 Å²	87.4	48%	0.483	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-45.2	176.3	-66.9	0	0	0	0	111.9	I851 G858 V859	I851-S855 WeakPolarHBondContact O-CB 3.17Å; I851-S855 PolarHBondContact O-N 2.96Å; I851-S855 PolarHBondContact O-OG 2.79Å; S855-G858 PolarHBondContact O-N 2.93Å; S855-V859 WeakPolarHBondContact O-CG2 2.95Å; S855-V859 PolarHBondContact O-N 3.35Å
856	S	63.8	Low	60.2	Low	68 Å²	68	85.3 Å²	85.3	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-39.3	177.6	50.5	0	0	0	0	112.5	I852 V853 G858 V859 L860	I852-S856 WeakPolarHBondContact O-CB 3.33Å; I852-S856 PolarHBondContact O-N 3.04Å; I852-S856 PolarHBondContact O-OG 3.37Å; V853-S856 PolarHBondContact O-OG 2.9Å; V853-S856 VanDerWaalsContact O-OG 3.11Å; S856-G858 VanDerWaalsContact C-N 3.33Å; S856-G858 PolarHBondContact O-N 2.89Å; S856-V859 PolarHBondContact O-N 3.45Å; S856-L860 PolarHBondContact O-N 3.2Å
857	L	68.9	Low	60.5	Low	93 Å²	93	82.5 Å²	82.5	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-38.6	173.3	-172.1	66.2	0	0	0	112.5	V853 L860 L861	V853-L857 WeakPolarHBondContact O-CB 3.4Å; V853-L857 PolarHBondContact O-N 2.74Å; L857-L860 PolarHBondContact O-N 3.02Å; L857-L861 HydrophobicContact CG-CD1 4.4Å; L857-L861 PolarHBondContact O-N 2.94Å; L857-L861 VanDerWaalsContact O-N 3.09Å
858	G	65.8	Low	60.3	Low	45 Å²	45	82.5 Å²	82.5	46%	0.464	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-43.9	174.6	0	0	0	0	0	113.1	M854 S855 S856 L861 G862	M854-G858 PolarHBondContact O-N 3.32Å; S855-G858 PolarHBondContact O-N 2.93Å; S856-G858 VanDerWaalsContact C-N 3.33Å; S856-G858 PolarHBondContact O-N 2.89Å; G858-L861 PolarHBondContact O-N 3.06Å; G858-G862 PolarHBondContact O-N 2.83Å
859	V	67.1	Low	60.1	Low	108 Å²	108	84.7 Å²	84.7	66%	0.655	52%	0.521	S	S	*	.	H	α-helix	trans	-63.6	-41.3	175.1	172.5	0	0	0	0	111.2	S855 S856 G862 A863	S855-V859 WeakPolarHBondContact O-CG2 2.95Å; S855-V859 PolarHBondContact O-N 3.35Å; S856-V859 PolarHBondContact O-N 3.45Å; V859-G862 PolarHBondContact O-N 2.81Å; V859-A863 WeakPolarHBondContact O-CB 3.41Å; V859-A863 PolarHBondContact O-N 3.31Å
860	L	58.6	Low	59.4	Low	118 Å²	118	86.5 Å²	86.5	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-44.4	179.2	-155.4	96.5	0	0	0	112.1	S856 L857 A863 V864	S856-L860 PolarHBondContact O-N 3.2Å; L857-L860 PolarHBondContact O-N 3.02Å; L860-A863 PolarHBondContact O-N 2.58Å; L860-V864 WeakPolarHBondContact O-CG2 3.46Å; L860-V864 PolarHBondContact O-N 3.45Å; L860-V864 VanDerWaalsContact O-N 3.1Å
861	L	66.4	Low	58.8	Low	108 Å²	108	91.9 Å²	91.9	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-39.7	175	-77.4	164.7	0	0	0	112	L857 G858 V864 C865	L857-L861 HydrophobicContact CG-CD1 4.4Å; L857-L861 PolarHBondContact O-N 2.94Å; L857-L861 VanDerWaalsContact O-N 3.09Å; G858-L861 PolarHBondContact O-N 3.06Å; L861-V864 PolarHBondContact O-N 2.87Å; L861-C865 PolarHBondContact O-N 3Å; L861-C865 VanDerWaalsContact O-N 3.08Å
862	G	60.5	Low	57.7	Low	41 Å²	41	92 Å²	92	42%	0.423	55%	0.548	S	S	.	.	H	α-helix	trans	-59.4	-46.3	173.7	0	0	0	0	0	112.6	G858 V859 C865 A866	G858-G862 PolarHBondContact O-N 2.83Å; V859-G862 PolarHBondContact O-N 2.81Å; G862-C865 PolarHBondContact O-N 3.41Å; G862-A866 WeakPolarHBondContact O-CB 3.29Å; G862-A866 PolarHBondContact O-N 2.95Å
863	A	62.9	Low	56.8	Low	62 Å²	62	91.7 Å²	91.7	51%	0.512	55%	0.551	S	S	.	*	H	α-helix	trans	-63.4	-40.9	178.2	0	0	0	0	0	112.7	V859 L860 A866 G867	V859-A863 WeakPolarHBondContact O-CB 3.41Å; V859-A863 PolarHBondContact O-N 3.31Å; L860-A863 PolarHBondContact O-N 2.58Å; A863-A866 PolarHBondContact O-N 3.33Å; A863-G867 PolarHBondContact O-N 2.85Å
864	V	63	Low	55.5	Low	86 Å²	86	92.8 Å²	92.8	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-65	-41.7	176.7	171.1	0	0	0	0	111.6	L860 L861 L868	L860-V864 WeakPolarHBondContact O-CG2 3.46Å; L860-V864 PolarHBondContact O-N 3.45Å; L860-V864 VanDerWaalsContact O-N 3.1Å; L861-V864 PolarHBondContact O-N 2.87Å; V864-L868 HydrophobicContact CG1-CD1 4.45Å; V864-L868 PolarHBondContact O-N 2.92Å; V864-L868 VanDerWaalsContact O-N 3.15Å
865	C	50.3	Low	54.7	Low	77 Å²	77	90.9 Å²	90.9	52%	0.52	56%	0.561	S	S	.	*	H	α-helix	trans	-69.6	-37.1	175	-73.9	0	0	0	0	113	L861 G862 L868 L869	L861-C865 PolarHBondContact O-N 3Å; L861-C865 VanDerWaalsContact O-N 3.08Å; G862-C865 PolarHBondContact O-N 3.41Å; C865-L868 PolarHBondContact O-N 2.91Å; C865-L869 PolarHBondContact O-N 2.04Å; C865-L869 VanDerWaalsContact O-N 3.1Å
866	A	50.5	Low	53.5	Low	47 Å²	47	97.9 Å²	97.9	39%	0.388	58%	0.578	S	S	.	*	H	α-helix	trans	-66.4	-40.5	175.3	0	0	0	0	0	112.2	G862 A863 L869 L870	G862-A866 WeakPolarHBondContact O-CB 3.29Å; G862-A866 PolarHBondContact O-N 2.95Å; A863-A866 PolarHBondContact O-N 3.33Å; A866-L869 PolarHBondContact O-N 3.18Å; A866-L870 PolarHBondContact O-N 3.4Å
867	G	56.8	Low	52.1	Low	40 Å²	40	100.6 Å²	100.6	41%	0.412	60%	0.597	S	S	.	*	H	α-helix	trans	-61.9	-41.7	174.4	0	0	0	0	0	112.8	A863 L869 L870 Y871	A863-G867 PolarHBondContact O-N 2.85Å; G867-L869 VanDerWaalsContact C-N 3.35Å; G867-L869 PolarHBondContact O-N 3.44Å; G867-L870 PolarHBondContact O-N 3.3Å; G867-Y871 WeakPolarHBondContact O-CB 3.49Å; G867-Y871 PolarHBondContact O-N 3.31Å
868	L	50.5	Low	50.2	Low	117 Å²	117	99.5 Å²	99.5	61%	0.613	61%	0.609	S	S	*	*	H	α-helix	trans	-63.6	-36.6	173.9	-86	161.9	0	0	0	113	V864 C865	V864-L868 HydrophobicContact CG1-CD1 4.45Å; V864-L868 PolarHBondContact O-N 2.92Å; V864-L868 VanDerWaalsContact O-N 3.15Å; C865-L868 PolarHBondContact O-N 2.91Å
869	L	44.7	Very low	48.5	Very low	122 Å²	122	105.3 Å²	105.3	64%	0.639	63%	0.628	S	S	*	*	H	α-helix	trans	-69	-47.7	175	-80.1	163.5	0	0	0	112.1	C865 A866 G867 Y871 C872 T873	C865-L869 PolarHBondContact O-N 2.04Å; C865-L869 VanDerWaalsContact O-N 3.1Å; A866-L869 PolarHBondContact O-N 3.18Å; G867-L869 VanDerWaalsContact C-N 3.35Å; G867-L869 PolarHBondContact O-N 3.44Å; L869-Y871 VanDerWaalsContact C-N 3.3Å; L869-Y871 PolarHBondContact O-N 3.27Å; L869-C872 PolarHBondContact O-N 2.99Å; L869-T873 PolarHBondContact O-N 3.18Å; L869-T873 PolarHBondContact O-OG1 2.92Å
870	L	45.4	Very low	46.7	Very low	120 Å²	120	104.7 Å²	104.7	63%	0.628	63%	0.629	S	S	*	*	H	α-helix	trans	-62.7	-34.6	179.1	-79.5	164	0	0	0	112.9	A866 G867 C872 T873	A866-L870 PolarHBondContact O-N 3.4Å; G867-L870 PolarHBondContact O-N 3.3Å; L870-C872 PolarHBondContact O-N 3.04Å; L870-T873 PolarHBondContact O-N 3.03Å
871	Y	48.2	Very low	45.6	Very low	196 Å²	196	104.2 Å²	104.2	77%	0.769	64%	0.635	S	S	*	*	H	α-helix	trans	-66.3	-24.7	174.8	-157.7	-92.7	0	0	0	112.9	G867 L869	G867-Y871 WeakPolarHBondContact O-CB 3.49Å; G867-Y871 PolarHBondContact O-N 3.31Å; L869-Y871 VanDerWaalsContact C-N 3.3Å; L869-Y871 PolarHBondContact O-N 3.27Å
872	C	41.4	Very low	43.9	Very low	99 Å²	99	110.4 Å²	110.4	67%	0.669	65%	0.651	S	S	*	*	H	α-helix	trans	-90.7	-17.1	179.2	-77.4	0	0	0	0	114.8	L869 L870	L869-C872 PolarHBondContact O-N 2.99Å; L870-C872 PolarHBondContact O-N 3.04Å
873	T	42.5	Very low	42.4	Very low	94 Å²	94	113.4 Å²	113.4	58%	0.577	67%	0.666	S	S	*	*	H	α-helix	trans	-101.4	-12.6	-171.9	53.3	0	0	0	0	116	L869 L870	L869-T873 PolarHBondContact O-N 3.18Å; L869-T873 PolarHBondContact O-OG1 2.92Å; L870-T873 PolarHBondContact O-N 3.03Å
874	C	37.7	Very low	40.8	Very low	109 Å²	109	115.6 Å²	115.6	74%	0.736	68%	0.677	S	S	*	*	S	Bend	trans	-123.9	6.4	-175	-65.9	0	0	0	0	115.7	Y876	C874-Y876 VanDerWaalsContact C-N 3.27Å
875	S	45.6	Very low	39.2	Very low	90 Å²	90	117.6 Å²	117.6	63%	0.629	69%	0.69	S	S	*	*	S	Bend	trans	-81.4	-2.7	169.6	60.7	0	0	0	0	113.8
876	Y	32.7	Very low	38.2	Very low	216 Å²	216	120.3 Å²	120.3	85%	0.847	70%	0.704	S	S	*	*			trans	-126.1	96.8	-178.5	-105.1	-94.7	0	0	0	112.8	C874	C874-Y876 VanDerWaalsContact C-N 3.27Å
877	S	33.5	Very low	37.2	Very low	124 Å²	124	125.2 Å²	125.2	87%	0.867	72%	0.723	S	S	*	*			trans	-98.5	118.1	168.2	55.6	0	0	0	0	110.4
878	G	30.9	Very low	35.9	Very low	71 Å²	71	131.4 Å²	131.4	73%	0.732	74%	0.741	S	S	*	*			trans	-172.7	95.7	-178.2	0	0	0	0	0	117.2
879	L	28.6	Very low	35	Very low	166 Å²	166	132.4 Å²	132.4	87%	0.869	75%	0.747	S	S	*	*			trans	66.4	111.8	151.9	-70.2	164	0	0	0	121.6
880	S	30.9	Very low	34.2	Very low	96 Å²	96	136.2 Å²	136.2	67%	0.671	75%	0.754	S	S	*	*			trans	68.2	101.6	131.7	66.7	0	0	0	0	122
881	S	34.3	Very low	33.2	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	77%	0.766	S	S	*	*				49.6	112.3	127.3	65.9	0	0	0	0	121.2
882	R	30.8	Very low	32.3	Very low	238 Å²	238	137.5 Å²	137.5	90%	0.898	77%	0.767	S	S	*	*				-176.4	149.7	109.9	-106.8	177	169.5	-175.5	-4.1	114.9
883	S	28.9	Very low	31.6	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	78%	0.776	S	S	*	*			trans	39.5	106.1	152.2	58.7	0	0	0	0	120.9
884	S	28.9	Very low	30.8	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	79%	0.791	S	S	*	*			trans	1.3	160	133.9	-39.5	0	0	0	0	122.3
885	T	30.8	Very low	30.3	Very low	128 Å²	128	150.9 Å²	150.9	79%	0.785	80%	0.799	S	S	*	*			trans	78.1	104.1	162.1	65.7	0	0	0	0	118.3
886	T	27.8	Very low	29.5	Very low	134 Å²	134	154.1 Å²	154.1	82%	0.822	81%	0.809	S	S	*	*				-176	163.4	113.4	24	0	0	0	0	111.4
887	L	30.6	Very low	29.3	Very low	151 Å²	151	147.1 Å²	147.1	79%	0.791	80%	0.803	S	S	*	*			trans	77.5	72.9	176.4	-68.4	121.6	0	0	0	118.3
888	E	30.1	Very low	29	Very low	170 Å²	170	148.1 Å²	148.1	79%	0.794	80%	0.797	S	S	*	*			trans	-65.2	172.1	131.9	-60.4	173.8	132.1	0	0	110.9
889	N	30	Very low	28.8	Very low	138 Å²	138	153.4 Å²	153.4	74%	0.738	80%	0.8	S	S	*	*			trans	71.3	95.2	172.2	-54.6	-69.4	0	0	0	117.1
890	Y	28.5	Very low	28.7	Very low	201 Å²	201	154.4 Å²	154.4	79%	0.788	80%	0.8	S	S	*	*				-149.5	103.3	129	-94	-67.2	0	0	0	110.8	F892	Y890-F892 HydrophobicContact CD1-CD2 4.25Å; Y890-F892 AromaticContact CD1-CE2 3.7Å; Y890-F892 HydrophobicContact CD1-CE2 3.7Å; Y890-F892 HydrophobicContact CE1-CE2 4.26Å; Y890-F892 HydrophobicContact CG-CE2 4.41Å
891	N	25.4	Very low	28.5	Very low	162 Å²	162	159 Å²	159	87%	0.866	81%	0.808	S	S	*	*			trans	-77.5	145.8	156.1	-87.2	-12.1	0	0	0	108.8
892	F	27.9	Very low	28	Very low	181 Å²	181	160.7 Å²	160.7	79%	0.794	81%	0.814	S	S	*	*			trans	-136	114.3	164.5	-99.5	-81.4	0	0	0	110.9	Y890	Y890-F892 HydrophobicContact CD1-CD2 4.25Å; Y890-F892 AromaticContact CD1-CE2 3.7Å; Y890-F892 HydrophobicContact CD1-CE2 3.7Å; Y890-F892 HydrophobicContact CE1-CE2 4.26Å; Y890-F892 HydrophobicContact CG-CE2 4.41Å
893	E	27.3	Very low	27.8	Very low	182 Å²	182	158.6 Å²	158.6	85%	0.85	81%	0.811	S	S	*	*			trans	-77.7	145.9	163.6	-64.1	180	126.1	0	0	109.5
894	L	26.3	Very low	27.6	Very low	172 Å²	172	162.1 Å²	162.1	90%	0.901	82%	0.821	S	S	*	*			trans	-85.8	123.5	175	-91.5	152.1	0	0	0	110.5
895	Y	26.5	Very low	27.3	Very low	229 Å²	229	163 Å²	163	90%	0.898	82%	0.817	S	S	*	*			trans	-133.8	139.6	161.8	-109.8	-86.8	0	0	0	110.8
896	D	28.7	Very low	27.1	Very low	159 Å²	159	164.5 Å²	164.5	85%	0.85	82%	0.815	S	S	*	*			trans	-86.1	154	-177	-174.7	16.3	0	0	0	111.7
897	G	28.6	Very low	27	Very low	69 Å²	69	167.7 Å²	167.7	71%	0.711	82%	0.821	S	S	*	*			trans	159.9	68	-180	0	0	0	0	0	118.7
898	L	27.9	Very low	27	Very low	144 Å²	144	171.3 Å²	171.3	75%	0.754	82%	0.824	S	S	*	*			trans	8.4	118.7	149.2	-79.5	156.7	0	0	0	120.7
899	K	26.9	Very low	26.8	Very low	183 Å²	183	168.9 Å²	168.9	80%	0.796	83%	0.825	S	S	*	*			trans	49.7	124.2	141.6	-68.9	173.5	178.3	165.1	0	119.8
900	H	26.4	Very low	26.7	Very low	186 Å²	186	167.5 Å²	167.5	86%	0.861	83%	0.825	S	S	*	*				-155.5	159.6	104.2	-126.2	-95.8	0	0	0	115.1
901	K	25.1	Very low	26.6	Very low	192 Å²	192	163.5 Å²	163.5	84%	0.835	82%	0.821	S	S	*	*			trans	-82.9	141.6	-179	-63.5	172.6	176.6	173.9	0	112.6
902	V	25.2	Very low	26.8	Very low	145 Å²	145	165 Å²	165	88%	0.879	82%	0.823	S	S	*	*			trans	-137.3	139.9	147	-179.8	0	0	0	0	109.2
903	K	25.2	Very low	27	Very low	193 Å²	193	164.8 Å²	164.8	84%	0.839	86%	0.855	S	S	*	*			trans	-89.4	141.7	166.6	-73.8	-179.8	174.2	-178.3	0	109.2
904	L	25	Very low	27	Very low	179 Å²	179	164 Å²	164	94%	0.937	86%	0.855	S	S	*	*			trans	-144.3	163	136.2	-145.2	65.8	0	0	0	110.4
905	N	23.9	Very low	27.1	Very low	126 Å²	126	163.5 Å²	163.5	67%	0.674	85%	0.853	S	S	*	*			trans	-126.2	144.7	-164.4	-160	28.4	0	0	0	110.1
906	Q	26.5	Very low	27.1	Very low	158 Å²	158	159.9 Å²	159.9	74%	0.738	85%	0.85	S	S	*	*			trans	49.4	115.8	159.5	-69.4	170.1	-22.6	0	0	119
907	Q	26	Very low	27	Very low	201 Å²	201	159.9 Å²	159.9	94%	0.939	85%	0.85	S	S	*	*				-138.8	135.8	125.7	-133.3	164.5	-4.6	0	0	110.5
908	R	29.5	Very low	26.9	Very low	227 Å²	227	165.6 Å²	165.6	86%	0.857	86%	0.859	S	S	*	*			trans	-95.9	143.6	174.2	-68.7	171.1	167.3	168.9	-7.2	108.7
909	C	25.8	Very low	26.8	Very low	120 Å²	120	167.1 Å²	167.1	81%	0.811	87%	0.866	S	S	*	*				-175.6	147.8	123.4	-103.8	0	0	0	0	111.6
910	C	28	Very low	26.8	Very low	109 Å²	109	165.9 Å²	165.9	74%	0.736	87%	0.871	S	S	*	*			trans	55.8	117.2	168.9	-50.3	0	0	0	0	116.8
911	T	27.5	Very low	26.9	Very low	116 Å²	116	164.4 Å²	164.4	71%	0.712	87%	0.872	S	S	*	*			cis	71.1	108.2	31.8	81.9	0	0	0	0	115.6
912	E	29	Very low	27	Very low	193 Å²	193	162.1 Å²	162.1	90%	0.902	88%	0.875	S	S	*	*			trans	64.4	127.3	154.7	-61.2	169.2	-179.7	0	0	116.8
913	A	32.8	Very low	27.2	Very low	178 Å²	178	163.6 Å²	163.6	100%	1.471	87%	0.874	S	S	*	*			cis	-128.1	0	7.2	0	0	0	0	0	112

Retrieved 913 of 913 residues in 1439.3 ms (Link to these results)

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