A0A087Y4E9_POEFO Loading...

sphingosine kinase

AlphaFold DB , UniProt , Accession A0A087Y4E9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

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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	38.9	Very low	32.7	Very low	239 Å²	239	177.4 Å²	177.4	100%	1.177	88%	0.88	S	S	*	*				0	91.8	0	-80.7	-178	-166.2	0	0	105.2
2	D	31.2	Very low	32.9	Very low	164 Å²	164	172.5 Å²	172.5	88%	0.877	87%	0.871	S	S	*	*			trans	-116.5	110.9	177	-77.9	-49.1	0	0	0	107.2	K4	D2-K4 PolarHBondContact O-N 2.82Å
3	E	32.3	Very low	33.1	Very low	198 Å²	198	170.1 Å²	170.1	93%	0.925	87%	0.869	S	S	*	*			trans	-66.7	107.1	175.8	-79.1	179.6	143.5	0	0	109.8	R5	E3-R5 PolarHBondContact O-N 3.48Å
4	K	33.1	Very low	33.3	Very low	205 Å²	205	165.2 Å²	165.2	89%	0.891	86%	0.858	S	S	*	*			trans	-66.6	110	163.8	-87.3	180	171.3	179.8	0	109	D2 A6	D2-K4 PolarHBondContact O-N 2.82Å; K4-A6 PolarHBondContact O-N 3.32Å
5	R	33.6	Very low	34	Very low	249 Å²	249	162.9 Å²	162.9	94%	0.94	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-56.1	122.1	163.5	-82.2	177	172	173.5	-2.7	109.6	E3	E3-R5 PolarHBondContact O-N 3.48Å
6	A	33.1	Very low	35.3	Very low	97 Å²	97	157.3 Å²	157.3	80%	0.802	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-71.6	126.6	168.6	0	0	0	0	0	109.5	K4	K4-A6 PolarHBondContact O-N 3.32Å
7	E	31.6	Very low	37	Very low	182 Å²	182	152.8 Å²	152.8	85%	0.85	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-69.4	142.4	164.9	-72.7	-175.2	150.9	0	0	109.4
8	P	32.4	Very low	39.6	Very low	106 Å²	106	149.2 Å²	149.2	69%	0.688	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-74.5	128.2	177.4	29.2	-30.9	0	0	0	110.4	F10	P8-F10 PolarHBondContact O-N 2.92Å
9	D	29.4	Very low	42.3	Very low	161 Å²	161	143.3 Å²	143.3	86%	0.861	77%	0.773	S	S	*	*			trans	-53.6	108.9	172.1	-77.6	-40	0	0	0	110.6	L11	D9-L11 PolarHBondContact O-N 3.09Å
10	F	32.2	Very low	44.9	Very low	198 Å²	198	142.7 Å²	142.7	87%	0.868	76%	0.761	S	S	*	*			trans	-68	101.3	164.2	-82.5	-89.6	0	0	0	108.2	P8	P8-F10 PolarHBondContact O-N 2.92Å
11	L	32.3	Very low	47	Very low	152 Å²	152	136.5 Å²	136.5	80%	0.796	73%	0.73	S	S	*	*			trans	-51.2	130.7	163.4	-71.6	167.9	0	0	0	108.7	D9 V13	D9-L11 PolarHBondContact O-N 3.09Å; L11-V13 PolarHBondContact O-N 3.38Å; L11-V13 VanDerWaalsContact O-N 3.12Å
12	P	34.4	Very low	49.5	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	69%	0.694	S	S	*	*			trans	-63.1	120.5	177.7	24.3	-31.1	0	0	0	108.9	S14	P12-S14 PolarHBondContact O-N 3.21Å
13	V	36.1	Very low	52.3	Low	141 Å²	141	122.1 Å²	122.1	86%	0.855	66%	0.655	S	S	*	*			trans	-52.9	110.8	165.6	177	0	0	0	0	106.6	L11 T15	L11-V13 PolarHBondContact O-N 3.38Å; L11-V13 VanDerWaalsContact O-N 3.12Å; V13-T15 PolarHBondContact O-N 3.17Å
14	S	35.8	Very low	54.8	Low	102 Å²	102	114.5 Å²	114.5	71%	0.713	62%	0.622	S	S	*	*			trans	-55.2	114.8	179.8	59.8	0	0	0	0	108.7	P12 P16	P12-S14 PolarHBondContact O-N 3.21Å; S14-P16 WeakPolarHBondContact O-CD 3.19Å; S14-P16 VanDerWaalsContact O-N 3.17Å
15	T	44	Very low	56.8	Low	131 Å²	131	106.2 Å²	106.2	80%	0.804	59%	0.586	S	S	*	*			trans	-53.3	122.5	168.9	-5.2	0	0	0	0	107.1	V13 A17	V13-T15 PolarHBondContact O-N 3.17Å; T15-A17 PolarHBondContact O-N 3.19Å
16	P	54.3	Low	58.4	Low	72 Å²	72	96.9 Å²	96.9	47%	0.468	56%	0.555	S	S	.	*			trans	-56.1	120.6	-178.3	16.2	-27.5	0	0	0	109.1	S14 T18 E39	S14-P16 WeakPolarHBondContact O-CD 3.19Å; S14-P16 VanDerWaalsContact O-N 3.17Å; P16-T18 PolarHBondContact O-N 2.88Å; P16-T18 VanDerWaalsContact O-N 3.08Å; P16-E39 HydrophobicContact CB-CG 3.65Å; P16-E39 WeakPolarHBondContact CB-OE1 3.37Å; P16-E39 HydrophobicContact CG-CG 3.34Å
17	A	65.1	Low	59.6	Low	82 Å²	82	97 Å²	97	68%	0.678	55%	0.55	S	S	*	*			trans	-58.3	116	-170.6	0	0	0	0	0	110.5	T15 L19 R133	T15-A17 PolarHBondContact O-N 3.19Å; A17-L19 PolarHBondContact O-N 3.03Å; A17-R133 PolarHBondContact O-NH2 3.21Å
18	T	82.3	Confident	60.9	Low	88 Å²	88	91.6 Å²	91.6	54%	0.54	53%	0.527	S	S	.	.			trans	-62.8	131.6	170.5	49.8	0	0	0	0	109.5	P16 L37 T38	P16-T18 PolarHBondContact O-N 2.88Å; P16-T18 VanDerWaalsContact O-N 3.08Å; T18-L37 WeakPolarHBondContact CA-O 3.37Å; T18-T38 HydrophobicContact CG2-CG2 4.45Å
19	L	92.2	Very high	62.4	Low	36 Å²	36	94.3 Å²	94.3	19%	0.188	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.2	178.1	-174.8	70.6	0	0	0	108.3	A17 N36 L37 W126 A129	A17-L19 PolarHBondContact O-N 3.03Å; L19-N36 WeakPolarHBondContact O-CA 3.44Å; L19-L37 HydrophobicContact CB-CB 4.24Å; L19-L37 HydrophobicContact CD2-CD2 4.46Å; L19-L37 PolarHBondContact N-O 3.22Å; L19-L37 PolarHBondContact O-N 2.77Å; L19-W126 HydrophobicContact CB-CH2 4.22Å; L19-W126 HydrophobicContact CB-CZ3 4.39Å; L19-W126 HydrophobicContact CD1-CZ2 4.35Å; L19-W126 HydrophobicContact CD2-CD2 3.5Å; L19-W126 VanDerWaalsContact CD2-CD2 3.5Å; L19-W126 HydrophobicContact CD2-CE3 3.59Å; L19-W126 HydrophobicContact CD2-CG 4.13Å; L19-W126 HydrophobicContact CD2-CH2 3.91Å; L19-W126 HydrophobicContact CD2-CZ2 3.8Å; L19-W126 HydrophobicContact CD2-CZ3 3.79Å; L19-W126 HydrophobicContact CG-CD2 4.24Å; L19-W126 HydrophobicContact CG-CE3 4.25Å; L19-W126 HydrophobicContact CG-CH2 3.62Å; L19-W126 HydrophobicContact CG-CZ2 3.55Å; L19-W126 HydrophobicContact CG-CZ3 3.95Å; L19-W126 WeakPolarHBondContact O-CH2 3.41Å; L19-A129 HydrophobicContact CD2-CB 4.12Å
20	Y	93	Very high	63.9	Low	132 Å²	132	98.1 Å²	98.1	52%	0.518	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.2	-176.2	176.3	-90.9	0	0	0	110.8	E22 A34 V35 N36	Y20-E22 HydrophobicContact CE1-CG 4.13Å; Y20-E22 PolarHBondContact OH-OE1 2.81Å; Y20-A34 HydrophobicContact CE2-CB 3.97Å; Y20-V35 WeakPolarHBondContact CA-O 3.48Å; Y20-N36 HydrophobicContact CD2-CB 4.34Å
21	G	90.6	Very high	65.9	Low	12 Å²	12	88.8 Å²	88.8	12%	0.124	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	161.3	173.8	0	0	0	0	0	112.7	V35	G21-V35 PolarHBondContact N-O 2.95Å; G21-V35 PolarHBondContact O-N 3.26Å
22	E	90.9	Very high	68.3	Low	87 Å²	87	88 Å²	88	41%	0.407	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.5	177.4	-61.7	-172.5	155	0	0	110.2	Y20 R32 W33 I47	Y20-E22 HydrophobicContact CE1-CG 4.13Å; Y20-E22 PolarHBondContact OH-OE1 2.81Å; E22-R32 IonicContact OE2-CZ 2.88Å; E22-R32 VanDerWaalsContact OE2-CZ 3.3Å; E22-R32 IonicContact OE2-NH1 3.61Å; E22-R32 IonicContact OE2-NH2 3.79Å; E22-R32 PolarHBondContact OE2-NH2 2.9Å; E22-W33 CarbonylContact C-O 3.56Å; E22-W33 WeakPolarHBondContact CA-O 3.47Å; E22-I47 HydrophobicContact CB-CD1 4.4Å; E22-I47 HydrophobicContact CG-CD1 3.94Å; E22-I47 WeakPolarHBondContact OE1-CD1 3.44Å
23	F	88.8	Confident	70.9	Confident	15 Å²	15	84 Å²	84	7%	0.066	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	162.3	-170.4	-57.4	-82.8	0	0	0	112	R32 W33 V35 F82 F108 L110 W126	F23-R32 CarbonylContact O-C 3.56Å; F23-R32 WeakPolarHBondContact O-CA 2.95Å; F23-W33 PolarHBondContact N-O 3.12Å; F23-W33 PolarHBondContact O-N 3.28Å; F23-V35 HydrophobicContact CD2-CB 3.72Å; F23-V35 HydrophobicContact CD2-CG2 3.5Å; F23-V35 VanDerWaalsContact CD2-CG2 3.5Å; F23-V35 HydrophobicContact CE2-CB 3.78Å; F23-V35 HydrophobicContact CE2-CG2 4.08Å; F23-V35 HydrophobicContact CG-CG2 4.46Å; F23-F82 HydrophobicContact CD1-CE1 4.04Å; F23-F82 AromaticContact CE1-CE1 3.74Å; F23-F82 HydrophobicContact CE1-CE1 3.74Å; F23-F82 HydrophobicContact CE2-CE1 4.36Å; F23-F82 HydrophobicContact CE2-CZ 4.37Å; F23-F82 HydrophobicContact CG-CE1 4.48Å; F23-F82 AromaticContact CZ-CE1 3.91Å; F23-F82 HydrophobicContact CZ-CE1 3.91Å; F23-F82 HydrophobicContact CZ-CZ 4.3Å; F23-F108 HydrophobicContact CB-CB 3.89Å; F23-F108 HydrophobicContact CB-CD1 3.9Å; F23-F108 HydrophobicContact CB-CG 4.27Å; F23-F108 HydrophobicContact CD1-CB 4.19Å; F23-F108 HydrophobicContact CG-CB 3.99Å; F23-F108 HydrophobicContact CG-CD1 4.37Å; F23-F108 HydrophobicContact CG-CG 4.39Å; F23-L110 HydrophobicContact CD1-CD1 3.79Å; F23-L110 HydrophobicContact CD1-CG 3.87Å; F23-L110 HydrophobicContact CE1-CD1 3.72Å; F23-L110 HydrophobicContact CE1-CD2 4Å; F23-L110 HydrophobicContact CE1-CG 3.67Å; F23-W126 HydrophobicContact CE2-CH2 4.06Å; F23-W126 AromaticContact CE2-CZ2 3.8Å; F23-W126 HydrophobicContact CE2-CZ2 3.8Å; F23-W126 HydrophobicContact CZ-CD2 4.02Å; F23-W126 AromaticContact CZ-CE2 3.47Å; F23-W126 VanDerWaalsContact CZ-CE2 3.47Å; F23-W126 HydrophobicContact CZ-CG 4.43Å; F23-W126 HydrophobicContact CZ-CH2 4.3Å; F23-W126 AromaticContact CZ-CZ2 3.62Å; F23-W126 HydrophobicContact CZ-CZ2 3.62Å; F23-W126 AromaticContact CZ-NE1 3.62Å
24	T	85.2	Confident	73.5	Confident	38 Å²	38	77.9 Å²	77.9	23%	0.233	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.2	164.2	52.5	0	0	0	0	108.9	R109	T24-R109 PolarHBondContact O-N 2.89Å; T24-R109 WeakPolarHBondContact OG1-CB 3.14Å
25	Q	75.8	Confident	76.2	Confident	31 Å²	31	73 Å²	73	15%	0.145	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.8	178.9	-167.9	176.2	21.5	0	0	109.6	S27 N28 W33	Q25-S27 VanDerWaalsContact C-N 3.26Å; Q25-S27 PolarHBondContact O-N 3.32Å; Q25-N28 CarbonylContact O-C 3.51Å; Q25-N28 VanDerWaalsContact O-C 3.24Å; Q25-N28 PolarHBondContact O-N 2.64Å; Q25-W33 HydrophobicContact CB-CG 4.47Å
26	N	66.9	Low	78.6	Confident	52 Å²	52	69.3 Å²	69.3	28%	0.278	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.1	-174.3	-166.7	17.6	0	0	0	112.9	N28 C107	N26-N28 VanDerWaalsContact C-N 3.26Å; N26-N28 PolarHBondContact O-N 2.89Å; N26-C107 HydrophobicContact CB-CB 4.27Å; N26-C107 PolarHBondContact N-O 3.1Å
27	S	59.3	Low	80.6	Confident	101 Å²	101	65.9 Å²	65.9	71%	0.706	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-16	178.9	56.9	0	0	0	0	114.7	Q25	Q25-S27 VanDerWaalsContact C-N 3.26Å; Q25-S27 PolarHBondContact O-N 3.32Å
28	N	58.5	Low	82	Confident	68 Å²	68	63.5 Å²	63.5	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	87.9	-179.8	-166.4	-9.8	0	0	0	111.6	Q25 N26 R30 G31	Q25-N28 CarbonylContact O-C 3.51Å; Q25-N28 VanDerWaalsContact O-C 3.24Å; Q25-N28 PolarHBondContact O-N 2.64Å; N26-N28 VanDerWaalsContact C-N 3.26Å; N26-N28 PolarHBondContact O-N 2.89Å; N28-R30 PolarHBondContact O-N 2.71Å; N28-R30 PolarHBondContact OD1-N 2.66Å; N28-G31 PolarHBondContact O-N 2.99Å; N28-G31 VanDerWaalsContact O-N 3.09Å
29	R	63	Low	82.5	Confident	162 Å²	162	61.5 Å²	61.5	61%	0.611	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	-8.3	-178.6	-65.7	-173.9	176.5	-167.1	-4.2	115
30	R	61.8	Low	82.5	Confident	241 Å²	241	65.9 Å²	65.9	91%	0.909	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	-13.2	177.7	-66.3	-173.1	-175.5	-174.6	2.2	114.4	N28	N28-R30 PolarHBondContact O-N 2.71Å; N28-R30 PolarHBondContact OD1-N 2.66Å
31	G	72.9	Confident	82.7	Confident	3 Å²	3	61.9 Å²	61.9	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.7	-177.1	0	0	0	0	0	113.1	N28 W33	N28-G31 PolarHBondContact O-N 2.99Å; N28-G31 VanDerWaalsContact O-N 3.09Å; G31-W33 VanDerWaalsContact O-CD1 3.26Å
32	R	84.6	Confident	82.9	Confident	136 Å²	136	61.3 Å²	61.3	51%	0.513	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140.1	167.8	-62.2	-175.6	74.4	-155.5	1.6	110.6	E22 F23 I47	E22-R32 IonicContact OE2-CZ 2.88Å; E22-R32 VanDerWaalsContact OE2-CZ 3.3Å; E22-R32 IonicContact OE2-NH1 3.61Å; E22-R32 IonicContact OE2-NH2 3.79Å; E22-R32 PolarHBondContact OE2-NH2 2.9Å; F23-R32 CarbonylContact O-C 3.56Å; F23-R32 WeakPolarHBondContact O-CA 2.95Å; R32-I47 HydrophobicContact CB-CB 4.31Å; R32-I47 HydrophobicContact CB-CD1 4.19Å; R32-I47 PolarHBondContact O-N 3.04Å
33	W	87.1	Confident	83.1	Confident	34 Å²	34	58.1 Å²	58.1	13%	0.129	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.6	-176.2	-61.3	84.6	0	0	0	109.9	E22 F23 Q25 G31 V44 Q45 R46	E22-W33 CarbonylContact C-O 3.56Å; E22-W33 WeakPolarHBondContact CA-O 3.47Å; F23-W33 PolarHBondContact N-O 3.12Å; F23-W33 PolarHBondContact O-N 3.28Å; Q25-W33 HydrophobicContact CB-CG 4.47Å; G31-W33 VanDerWaalsContact O-CD1 3.26Å; W33-V44 HydrophobicContact CB-CG1 4.45Å; W33-V44 HydrophobicContact CD2-CG1 4.4Å; W33-V44 HydrophobicContact CE3-CG1 3.77Å; W33-V44 HydrophobicContact CZ3-CG1 4.43Å; W33-Q45 CarbonylContact C-O 3.59Å; W33-Q45 VanDerWaalsContact CA-O 3.31Å; W33-Q45 WeakPolarHBondContact CA-O 3.48Å; W33-R46 HydrophobicContact CD2-CB 4.2Å; W33-R46 HydrophobicContact CD2-CG 4.32Å; W33-R46 VanDerWaalsContact CE3-CA 3.42Å; W33-R46 HydrophobicContact CE3-CB 3.71Å; W33-R46 HydrophobicContact CE3-CG 4.32Å; W33-R46 HydrophobicContact CH2-CB 3.82Å; W33-R46 HydrophobicContact CH2-CG 4.11Å; W33-R46 HydrophobicContact CZ2-CB 4.28Å; W33-R46 HydrophobicContact CZ2-CG 4.09Å; W33-R46 HydrophobicContact CZ3-CB 3.52Å; W33-R46 HydrophobicContact CZ3-CG 4.23Å
34	A	90.8	Very high	83.2	Confident	13 Å²	13	57.4 Å²	57.4	11%	0.107	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.8	166.3	0	0	0	0	0	108.4	Y20 Q45 I47	Y20-A34 HydrophobicContact CE2-CB 3.97Å; A34-Q45 PolarHBondContact N-O 3.01Å; A34-Q45 PolarHBondContact O-N 3.12Å; A34-I47 HydrophobicContact CB-CD1 4.15Å; A34-I47 HydrophobicContact CB-CG1 4.08Å
35	V	93.6	Very high	83.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.5	176.5	-179.9	0	0	0	0	107.9	Y20 G21 F23 L42 V43 V44 F108 W126	Y20-V35 WeakPolarHBondContact CA-O 3.48Å; G21-V35 PolarHBondContact N-O 2.95Å; G21-V35 PolarHBondContact O-N 3.26Å; F23-V35 HydrophobicContact CD2-CB 3.72Å; F23-V35 HydrophobicContact CD2-CG2 3.5Å; F23-V35 VanDerWaalsContact CD2-CG2 3.5Å; F23-V35 HydrophobicContact CE2-CB 3.78Å; F23-V35 HydrophobicContact CE2-CG2 4.08Å; F23-V35 HydrophobicContact CG-CG2 4.46Å; V35-L42 HydrophobicContact CG1-CD1 3.57Å; V35-L42 HydrophobicContact CG1-CG 4.41Å; V35-V43 CarbonylContact C-O 3.24Å; V35-V43 WeakPolarHBondContact CA-O 3.06Å; V35-V44 HydrophobicContact CG2-CG1 4.43Å; V35-F108 HydrophobicContact CG1-CZ 4.42Å; V35-F108 HydrophobicContact CG2-CD1 3.71Å; V35-F108 HydrophobicContact CG2-CE1 3.29Å; V35-F108 HydrophobicContact CG2-CE2 4.3Å; V35-F108 HydrophobicContact CG2-CG 4.36Å; V35-F108 HydrophobicContact CG2-CZ 3.62Å; V35-W126 HydrophobicContact CG1-CH2 4.33Å; V35-W126 HydrophobicContact CG1-CZ3 3.86Å
36	N	94.7	Very high	83.9	Confident	52 Å²	52	63.3 Å²	63.3	28%	0.278	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.3	175.1	-177.9	-1	0	0	0	108.5	L19 Y20 V43	L19-N36 WeakPolarHBondContact O-CA 3.44Å; Y20-N36 HydrophobicContact CD2-CB 4.34Å; N36-V43 HydrophobicContact CB-CB 4.29Å; N36-V43 PolarHBondContact N-O 3.19Å; N36-V43 PolarHBondContact O-N 3.09Å
37	L	96.1	Very high	84.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.1	172.1	-178.6	65.3	0	0	0	107.9	T18 L19 L42 L61 W126 A129 V130 R133	T18-L37 WeakPolarHBondContact CA-O 3.37Å; L19-L37 HydrophobicContact CB-CB 4.24Å; L19-L37 HydrophobicContact CD2-CD2 4.46Å; L19-L37 PolarHBondContact N-O 3.22Å; L19-L37 PolarHBondContact O-N 2.77Å; L37-L42 HydrophobicContact CB-CD1 4.29Å; L37-L42 HydrophobicContact CD1-CB 4.45Å; L37-L42 HydrophobicContact CD1-CD1 3.99Å; L37-L61 HydrophobicContact CD1-CD1 3.94Å; L37-L61 HydrophobicContact CD1-CD2 4Å; L37-L61 HydrophobicContact CD1-CG 4.42Å; L37-W126 HydrophobicContact CB-CZ3 3.93Å; L37-A129 HydrophobicContact CD2-CB 3.67Å; L37-V130 HydrophobicContact CD1-CG2 3.98Å; L37-V130 HydrophobicContact CD2-CG2 3.83Å; L37-R133 PolarHBondContact O-NH1 3.26Å
38	T	94.3	Very high	85.2	Confident	32 Å²	32	62.2 Å²	62.2	20%	0.196	28%	0.284	C	S	.	.			trans	-94.9	-177.2	171.1	77.7	0	0	0	0	109.7	T18 K40 D41 R133	T18-T38 HydrophobicContact CG2-CG2 4.45Å; T38-K40 PolarHBondContact O-N 3.28Å; T38-K40 PolarHBondContact OG1-N 2.67Å; T38-D41 PolarHBondContact N-O 3.34Å; T38-D41 PolarHBondContact OG1-N 3.01Å; T38-D41 PolarHBondContact OG1-O 3.04Å; T38-R133 VanDerWaalsContact O-CD 3.26Å; T38-R133 WeakPolarHBondContact O-CD 3.24Å; T38-R133 PolarHBondContact O-NH1 2.84Å
39	E	91.8	Very high	85.1	Confident	47 Å²	47	64.9 Å²	64.9	22%	0.22	31%	0.307	C	S	.	.	S	Bend	trans	-67	-25.8	173.2	-76	-56.8	121	0	0	113.4	P16 R133 R136 Q137	P16-E39 HydrophobicContact CB-CG 3.65Å; P16-E39 WeakPolarHBondContact CB-OE1 3.37Å; P16-E39 HydrophobicContact CG-CG 3.34Å; E39-R133 IonicContact OE1-CZ 3.12Å; E39-R133 IonicContact OE1-NE 3.13Å; E39-R133 PolarHBondContact OE1-NE 2.89Å; E39-R133 IonicContact OE1-NH1 2.87Å; E39-R136 IonicContact OE2-NH1 3.82Å; E39-Q137 PolarHBondContact O-NE2 2.8Å
40	K	93.3	Very high	84.6	Confident	128 Å²	128	62.8 Å²	62.8	56%	0.557	31%	0.312	S	S	*	.	S	Bend	trans	-112.7	-26.2	-172.8	-66.8	-175.7	179	179.6	0	113.6	T38 L61	T38-K40 PolarHBondContact O-N 3.28Å; T38-K40 PolarHBondContact OG1-N 2.67Å; K40-L61 WeakPolarHBondContact O-CB 3.42Å; K40-L61 PolarHBondContact O-N 3.22Å
41	D	95.9	Very high	84.3	Confident	48 Å²	48	57 Å²	57	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.8	-166.9	-54.9	-60.1	0	0	0	112.7	T38 V43 V58 L59 S60	T38-D41 PolarHBondContact N-O 3.34Å; T38-D41 PolarHBondContact OG1-N 3.01Å; T38-D41 PolarHBondContact OG1-O 3.04Å; D41-V43 HydrophobicContact CB-CG2 4.3Å; D41-V58 HydrophobicContact CB-CG1 3.9Å; D41-L59 CarbonylContact C-O 3.6Å; D41-L59 WeakPolarHBondContact CA-O 3.22Å; D41-S60 WeakPolarHBondContact OD1-CA 3.32Å
42	L	96.2	Very high	83.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.9	161	-175.5	73.9	0	0	0	108.4	V35 L37 V44 L59 A84 F86 Q106 F108	V35-L42 HydrophobicContact CG1-CD1 3.57Å; V35-L42 HydrophobicContact CG1-CG 4.41Å; L37-L42 HydrophobicContact CB-CD1 4.29Å; L37-L42 HydrophobicContact CD1-CB 4.45Å; L37-L42 HydrophobicContact CD1-CD1 3.99Å; L42-V44 HydrophobicContact CD2-CG2 4.29Å; L42-V44 HydrophobicContact CG-CG2 4.16Å; L42-L59 PolarHBondContact N-O 2.71Å; L42-L59 PolarHBondContact O-N 2.82Å; L42-A84 HydrophobicContact CD2-CB 4.31Å; L42-F86 HydrophobicContact CB-CZ 3.86Å; L42-F86 HydrophobicContact CD2-CE2 3.77Å; L42-F86 HydrophobicContact CD2-CZ 3.71Å; L42-F86 HydrophobicContact CG-CZ 4.44Å; L42-Q106 HydrophobicContact CD2-CB 4.45Å; L42-F108 HydrophobicContact CD2-CE2 4.32Å
43	V	94.6	Very high	82.1	Confident	19 Å²	19	60.3 Å²	60.3	12%	0.115	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121	-179.8	-178	0	0	0	0	109.1	V35 N36 D41 K56 V57 V58	V35-V43 CarbonylContact C-O 3.24Å; V35-V43 WeakPolarHBondContact CA-O 3.06Å; N36-V43 HydrophobicContact CB-CB 4.29Å; N36-V43 PolarHBondContact N-O 3.19Å; N36-V43 PolarHBondContact O-N 3.09Å; D41-V43 HydrophobicContact CB-CG2 4.3Å; V43-K56 HydrophobicContact CG1-CD 4.33Å; V43-K56 HydrophobicContact CG1-CG 4.15Å; V43-V57 WeakPolarHBondContact CA-O 3.14Å; V43-V58 HydrophobicContact CG1-CG2 4.37Å; V43-V58 HydrophobicContact CG2-CG1 4.31Å; V43-V58 HydrophobicContact CG2-CG2 4.33Å
44	V	92	Very high	80.6	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.006	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.1	-177.3	-173.3	0	0	0	0	108.7	W33 V35 L42 K56 V57 F108	W33-V44 HydrophobicContact CB-CG1 4.45Å; W33-V44 HydrophobicContact CD2-CG1 4.4Å; W33-V44 HydrophobicContact CE3-CG1 3.77Å; W33-V44 HydrophobicContact CZ3-CG1 4.43Å; V35-V44 HydrophobicContact CG2-CG1 4.43Å; L42-V44 HydrophobicContact CD2-CG2 4.29Å; L42-V44 HydrophobicContact CG-CG2 4.16Å; V44-K56 WeakPolarHBondContact O-CA 3.36Å; V44-V57 HydrophobicContact CB-CB 4.46Å; V44-V57 PolarHBondContact N-O 2.92Å; V44-V57 PolarHBondContact O-N 2.97Å; V44-F108 HydrophobicContact CG1-CE1 3.85Å; V44-F108 HydrophobicContact CG1-CZ 4Å; V44-F108 HydrophobicContact CG2-CE1 4.37Å; V44-F108 HydrophobicContact CG2-CZ 3.68Å
45	Q	89.9	Confident	79.8	Confident	88 Å²	88	72.8 Å²	72.8	41%	0.411	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128	-175.8	-179.6	172.3	-11	0	0	111.1	W33 A34 I47 N55	W33-Q45 CarbonylContact C-O 3.59Å; W33-Q45 VanDerWaalsContact CA-O 3.31Å; W33-Q45 WeakPolarHBondContact CA-O 3.48Å; A34-Q45 PolarHBondContact N-O 3.01Å; A34-Q45 PolarHBondContact O-N 3.12Å; Q45-I47 PolarHBondContact O-N 3Å; Q45-N55 WeakPolarHBondContact CA-O 3.35Å
46	R	85.8	Confident	79.4	Confident	104 Å²	104	79 Å²	79	39%	0.392	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	130.4	174.4	-163	175.6	173.4	-176.6	-1.7	109.9	W33 A48 N55	W33-R46 HydrophobicContact CD2-CB 4.2Å; W33-R46 HydrophobicContact CD2-CG 4.32Å; W33-R46 VanDerWaalsContact CE3-CA 3.42Å; W33-R46 HydrophobicContact CE3-CB 3.71Å; W33-R46 HydrophobicContact CE3-CG 4.32Å; W33-R46 HydrophobicContact CH2-CB 3.82Å; W33-R46 HydrophobicContact CH2-CG 4.11Å; W33-R46 HydrophobicContact CZ2-CB 4.28Å; W33-R46 HydrophobicContact CZ2-CG 4.09Å; W33-R46 HydrophobicContact CZ3-CB 3.52Å; W33-R46 HydrophobicContact CZ3-CG 4.23Å; R46-A48 PolarHBondContact O-N 3.41Å; R46-N55 HydrophobicContact CB-CB 3.71Å; R46-N55 PolarHBondContact N-O 3.28Å; R46-N55 VanDerWaalsContact N-O 3.07Å
47	I	81.3	Confident	79.2	Confident	72 Å²	72	79 Å²	79	37%	0.369	43%	0.432	S	S	.	.			trans	-83.1	98.8	171.5	-52.7	177	0	0	0	106.2	E22 R32 A34 Q45	E22-I47 HydrophobicContact CB-CD1 4.4Å; E22-I47 HydrophobicContact CG-CD1 3.94Å; E22-I47 WeakPolarHBondContact OE1-CD1 3.44Å; R32-I47 HydrophobicContact CB-CB 4.31Å; R32-I47 HydrophobicContact CB-CD1 4.19Å; R32-I47 PolarHBondContact O-N 3.04Å; A34-I47 HydrophobicContact CB-CD1 4.15Å; A34-I47 HydrophobicContact CB-CG1 4.08Å; Q45-I47 PolarHBondContact O-N 3Å
48	A	70.8	Confident	79.1	Confident	59 Å²	59	82.5 Å²	82.5	49%	0.488	45%	0.454	S	S	.	.			trans	-121.7	148	178.7	0	0	0	0	0	110.1	R46 V50	R46-A48 PolarHBondContact O-N 3.41Å; A48-V50 PolarHBondContact O-N 3.43Å
49	S	56	Low	79.2	Confident	123 Å²	123	81.3 Å²	81.3	86%	0.86	45%	0.446	S	S	*	.	S	Bend	trans	-81.2	45.7	-179	58.3	0	0	0	0	114.3
50	V	52.5	Low	79.3	Confident	119 Å²	119	80.5 Å²	80.5	72%	0.721	45%	0.445	S	S	*	.	S	Bend	trans	85.1	146.4	175.4	-171.6	0	0	0	0	116	A48	A48-V50 PolarHBondContact O-N 3.43Å
51	P	57.3	Low	79.4	Confident	119 Å²	119	74.4 Å²	74.4	77%	0.773	42%	0.419	S	S	*	.			cis	-99.8	156.9	-5.6	10.3	11.6	0	0	0	115.8
52	V	58.1	Low	79.3	Confident	138 Å²	138	78 Å²	78	84%	0.836	43%	0.429	S	S	*	.			trans	-75.7	134.7	-172.2	177.2	0	0	0	0	110.7
53	G	52.7	Low	79.2	Confident	70 Å²	70	79.5 Å²	79.5	72%	0.722	44%	0.437	S	S	*	.	S	Bend	trans	156.8	-20.7	165.1	0	0	0	0	0	117.2
54	R	55.7	Low	79.3	Confident	243 Å²	243	78.6 Å²	78.6	92%	0.917	43%	0.432	S	S	*	.	S	Bend	trans	-125.9	4.3	-173.1	-76.9	-175.4	175.7	170	-0.3	117.2
55	N	74.4	Confident	79.4	Confident	67 Å²	67	79.1 Å²	79.1	36%	0.358	44%	0.435	S	S	.	.			trans	-116.3	19.9	-169.6	-62.7	-20.9	0	0	0	115.3	Q45 R46	Q45-N55 WeakPolarHBondContact CA-O 3.35Å; R46-N55 HydrophobicContact CB-CB 3.71Å; R46-N55 PolarHBondContact N-O 3.28Å; R46-N55 VanDerWaalsContact N-O 3.07Å
56	K	85.3	Confident	79.6	Confident	129 Å²	129	75.2 Å²	75.2	56%	0.561	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.4	175.6	-177.3	180	178.9	179.6	0	109.6	V43 V44 V58	V43-K56 HydrophobicContact CG1-CD 4.33Å; V43-K56 HydrophobicContact CG1-CG 4.15Å; V44-K56 WeakPolarHBondContact O-CA 3.36Å; K56-V58 HydrophobicContact CD-CG2 4.45Å; K56-V58 HydrophobicContact CG-CG2 4.28Å
57	V	90	Very high	80.1	Confident	52 Å²	52	70.5 Å²	70.5	32%	0.315	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.4	172.9	-177.6	0	0	0	0	107.6	V43 V44 L59	V43-V57 WeakPolarHBondContact CA-O 3.14Å; V44-V57 HydrophobicContact CB-CB 4.46Å; V44-V57 PolarHBondContact N-O 2.92Å; V44-V57 PolarHBondContact O-N 2.97Å; V57-L59 HydrophobicContact CG1-CD1 4.41Å; V57-L59 HydrophobicContact CG1-CD2 4.19Å; V57-L59 HydrophobicContact CG1-CG 3.99Å
58	V	93.4	Very high	80.8	Confident	75 Å²	75	73.1 Å²	73.1	46%	0.455	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123	174.4	-177.3	0	0	0	0	107.1	D41 V43 K56	D41-V58 HydrophobicContact CB-CG1 3.9Å; V43-V58 HydrophobicContact CG1-CG2 4.37Å; V43-V58 HydrophobicContact CG2-CG1 4.31Å; V43-V58 HydrophobicContact CG2-CG2 4.33Å; K56-V58 HydrophobicContact CD-CG2 4.45Å; K56-V58 HydrophobicContact CG-CG2 4.28Å
59	L	95.5	Very high	81.9	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.9	178.8	-64.3	170.2	0	0	0	109	D41 L42 V57 F86 V104 Q106	D41-L59 CarbonylContact C-O 3.6Å; D41-L59 WeakPolarHBondContact CA-O 3.22Å; L42-L59 PolarHBondContact N-O 2.71Å; L42-L59 PolarHBondContact O-N 2.82Å; V57-L59 HydrophobicContact CG1-CD1 4.41Å; V57-L59 HydrophobicContact CG1-CD2 4.19Å; V57-L59 HydrophobicContact CG1-CG 3.99Å; L59-F86 HydrophobicContact CB-CD1 3.79Å; L59-F86 HydrophobicContact CB-CD2 4.42Å; L59-F86 HydrophobicContact CB-CE1 3.67Å; L59-F86 HydrophobicContact CB-CE2 4.31Å; L59-F86 HydrophobicContact CB-CG 4.17Å; L59-F86 HydrophobicContact CB-CZ 3.96Å; L59-F86 HydrophobicContact CD1-CD2 3.69Å; L59-F86 HydrophobicContact CD1-CE2 3.79Å; L59-F86 HydrophobicContact CD1-CG 4.07Å; L59-F86 HydrophobicContact CD1-CZ 4.27Å; L59-V104 HydrophobicContact CD1-CG1 4.18Å; L59-V104 HydrophobicContact CD2-CG1 4.3Å; L59-Q106 HydrophobicContact CD1-CG 3.46Å; L59-Q106 VanDerWaalsContact CD1-CG 3.46Å
60	S	95.6	Very high	83.7	Confident	30 Å²	30	68.1 Å²	68.1	21%	0.21	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	133.7	177.8	-171.3	0	0	0	0	110.7	D41 R62 D63 F86	D41-S60 WeakPolarHBondContact OD1-CA 3.32Å; S60-R62 PolarHBondContact O-N 3.34Å; S60-R62 PolarHBondContact OG-N 3.23Å; S60-D63 PolarHBondContact O-N 3.25Å; S60-F86 WeakPolarHBondContact O-CD1 3.32Å; S60-F86 WeakPolarHBondContact O-CE1 3.45Å
61	L	95.3	Very high	85.5	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-66.6	-15.3	172.9	-68.2	173.6	0	0	0	112.5	L37 K40 D63 C64 F86 V130 R133 S134 Q137	L37-L61 HydrophobicContact CD1-CD1 3.94Å; L37-L61 HydrophobicContact CD1-CD2 4Å; L37-L61 HydrophobicContact CD1-CG 4.42Å; K40-L61 WeakPolarHBondContact O-CB 3.42Å; K40-L61 PolarHBondContact O-N 3.22Å; L61-D63 PolarHBondContact O-N 2.92Å; L61-C64 HydrophobicContact CD2-CB 4.48Å; L61-C64 WeakPolarHBondContact O-CB 3.27Å; L61-C64 PolarHBondContact O-N 2.9Å; L61-F86 HydrophobicContact CD2-CE1 4.35Å; L61-F86 HydrophobicContact CD2-CZ 4.48Å; L61-V130 HydrophobicContact CD2-CG1 4.02Å; L61-R133 HydrophobicContact CD1-CB 3.54Å; L61-S134 WeakPolarHBondContact O-CB 3.34Å; L61-S134 PolarHBondContact O-OG 2.85Å; L61-Q137 HydrophobicContact CB-CG 4.11Å
62	R	92.7	Very high	86.8	Confident	125 Å²	125	63.7 Å²	63.7	47%	0.472	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-63.1	-30.3	168.2	-71	-178.5	172.8	-160.2	-6.1	112.4	S60 Q137 F278 R282	S60-R62 PolarHBondContact O-N 3.34Å; S60-R62 PolarHBondContact OG-N 3.23Å; R62-Q137 HydrophobicContact CG-CB 3.93Å; R62-Q137 HydrophobicContact CG-CG 4.39Å; R62-F278 WeakPolarHBondContact O-CZ 3.4Å; R62-R282 VanDerWaalsContact O-CZ 3.28Å; R62-R282 PolarHBondContact O-NE 3.49Å; R62-R282 PolarHBondContact O-NH2 3.07Å
63	D	94.8	Very high	87.5	Confident	30 Å²	30	65.1 Å²	65.1	16%	0.16	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-94.5	2.1	-179.9	-60.1	-30.4	0	0	0	112.4	S60 L61 F86 Y87 R101	S60-D63 PolarHBondContact O-N 3.25Å; L61-D63 PolarHBondContact O-N 2.92Å; D63-F86 CarbonylContact O-C 3.57Å; D63-F86 VanDerWaalsContact O-CA 3.25Å; D63-F86 WeakPolarHBondContact O-CA 3.35Å; D63-Y87 PolarHBondContact O-N 3.36Å; D63-R101 IonicContact OD1-CZ 3.31Å; D63-R101 IonicContact OD1-NH1 3.67Å; D63-R101 PolarHBondContact OD1-NH1 2.9Å; D63-R101 IonicContact OD1-NH2 2.78Å; D63-R101 PolarHBondContact OD1-NH2 2.88Å; D63-R101 IonicContact OD2-NH1 2.98Å
64	C	95.8	Very high	88.6	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.8	176.7	-169.9	0	0	0	0	110.1	L61 G66 Y85 F86 S134 R282	L61-C64 HydrophobicContact CD2-CB 4.48Å; L61-C64 WeakPolarHBondContact O-CB 3.27Å; L61-C64 PolarHBondContact O-N 2.9Å; C64-G66 PolarHBondContact SG-O 3.22Å; C64-Y85 WeakPolarHBondContact CA-O 3.31Å; C64-Y85 PolarHBondContact SG-O 3.31Å; C64-Y85 VanDerWaalsContact SG-O 3.39Å; C64-F86 HydrophobicContact CB-CD1 3.71Å; C64-F86 HydrophobicContact CB-CE1 3.59Å; C64-F86 HydrophobicContact CB-CG 4.46Å; C64-F86 HydrophobicContact CB-CZ 4.24Å; C64-S134 PolarHBondContact O-OG 3.31Å; C64-R282 PolarHBondContact O-NH1 3.31Å
65	V	94.1	Very high	89.1	Confident	11 Å²	11	64.4 Å²	64.4	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-23.9	174.8	-63	0	0	0	0	112.2	Y85 Y87 A183 F278 C281	V65-Y85 PolarHBondContact N-O 2.61Å; V65-Y87 HydrophobicContact CB-CD2 4.48Å; V65-Y87 HydrophobicContact CG1-CD2 3.77Å; V65-Y87 HydrophobicContact CG1-CE2 4.25Å; V65-Y87 HydrophobicContact CG2-CD2 3.83Å; V65-Y87 HydrophobicContact CG2-CE2 3.63Å; V65-A183 HydrophobicContact CB-CB 4.28Å; V65-A183 WeakPolarHBondContact O-CA 3.2Å; V65-F278 HydrophobicContact CG1-CD2 3.4Å; V65-F278 VanDerWaalsContact CG1-CD2 3.4Å; V65-F278 HydrophobicContact CG1-CE2 3.74Å; V65-C281 HydrophobicContact CB-CB 4.08Å; V65-C281 HydrophobicContact CG1-CB 3.98Å
66	G	94.5	Very high	89.2	Confident	7 Å²	7	65.3 Å²	65.3	7%	0.072	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	169.6	179.8	0	0	0	0	0	113.4	C64 Y85 E182	C64-G66 PolarHBondContact SG-O 3.22Å; G66-Y85 PolarHBondContact O-N 2.73Å; G66-E182 WeakPolarHBondContact CA-O 3.47Å
67	C	96.4	Very high	89	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.034	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	138	174.8	-173.2	0	0	0	0	109.2	A83 A84 A127 V130 R131	C67-A83 CarbonylContact C-O 3.57Å; C67-A83 WeakPolarHBondContact CA-O 3.37Å; C67-A83 PolarHBondContact SG-O 2.79Å; C67-A84 HydrophobicContact CB-CB 4.24Å; C67-A127 HydrophobicContact CB-CB 4.43Å; C67-A127 VanDerWaalsContact SG-CA 3.54Å; C67-V130 HydrophobicContact CB-CB 4.02Å; C67-V130 HydrophobicContact CB-CG1 3.79Å; C67-R131 HydrophobicContact CB-CG 4.12Å; C67-R131 WeakPolarHBondContact O-CD 3.14Å; C67-R131 PolarHBondContact O-NH1 3.45Å
68	R	94.9	Very high	88.8	Confident	127 Å²	127	59.7 Å²	59.7	48%	0.479	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.6	178.1	71.2	177.9	-177.1	153.3	3.7	111.4	Y70 F82 A83 Y85	R68-Y70 HydrophobicContact CG-CD1 4.1Å; R68-F82 CarbonylContact O-C 3.57Å; R68-F82 VanDerWaalsContact O-CA 3.23Å; R68-F82 WeakPolarHBondContact O-CA 3.32Å; R68-A83 PolarHBondContact N-O 2.56Å; R68-A83 PolarHBondContact O-N 3.41Å; R68-Y85 WeakPolarHBondContact CD-OH 3.33Å; R68-Y85 HydrophobicContact CG-CE2 3.97Å; R68-Y85 PolarHBondContact NE-OH 2.78Å
69	A	95.2	Very high	88.6	Confident	26 Å²	26	56.2 Å²	56.2	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.7	167.6	0	0	0	0	0	109.2	Y81 L120 A123 E124 A127	A69-Y81 CarbonylContact C-O 3.6Å; A69-Y81 WeakPolarHBondContact CA-O 3.26Å; A69-L120 HydrophobicContact CB-CD1 4.34Å; A69-A123 HydrophobicContact CB-CB 3.9Å; A69-E124 HydrophobicContact CB-CB 4.33Å; A69-E124 HydrophobicContact CB-CG 3.7Å; A69-A127 HydrophobicContact CB-CB 4.11Å
70	Y	93.5	Very high	88.5	Confident	50 Å²	50	55.9 Å²	55.9	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	167.7	-178.9	64.9	-82.6	0	0	0	111.9	R68 Y81 A83 C107	R68-Y70 HydrophobicContact CG-CD1 4.1Å; Y70-Y81 HydrophobicContact CD2-CD2 4.39Å; Y70-Y81 HydrophobicContact CE2-CD2 4.02Å; Y70-Y81 HydrophobicContact CE2-CG 4.14Å; Y70-Y81 PolarHBondContact N-O 2.65Å; Y70-Y81 PolarHBondContact O-N 2.73Å; Y70-A83 HydrophobicContact CE1-CB 4.18Å; Y70-C107 PolarHBondContact OH-SG 3.43Å
71	R	90.8	Very high	88.4	Confident	74 Å²	74	54.5 Å²	54.5	28%	0.279	27%	0.272	S	S	.	.			trans	-113.9	153.8	167.7	-65.6	-178.5	61.5	-160.9	-6.5	109.2	A80 P116 L120	R71-A80 HydrophobicContact CG-CB 4.32Å; R71-P116 VanDerWaalsContact NH2-CB 3.26Å; R71-L120 HydrophobicContact CG-CB 4.38Å; R71-L120 HydrophobicContact CG-CD1 4.26Å; R71-L120 HydrophobicContact CG-CD2 4.31Å
72	E	84.4	Confident	88.4	Confident	71 Å²	71	54.5 Å²	54.5	33%	0.332	27%	0.272	S	S	.	.			trans	-76.6	156	169.3	-75.3	174.9	159.5	0	0	109.9	D74 Y81	E72-D74 PolarHBondContact O-N 3.31Å; E72-D74 VanDerWaalsContact O-N 3.14Å; E72-Y81 HydrophobicContact CB-CE2 4.34Å; E72-Y81 HydrophobicContact CG-CD2 4.29Å; E72-Y81 HydrophobicContact CG-CE2 3.63Å; E72-Y81 PolarHBondContact OE2-OH 3.39Å
73	D	73.3	Confident	88.6	Confident	169 Å²	169	48.5 Å²	48.5	90%	0.904	25%	0.249	S	C	*	.	S	Bend	trans	-68.5	-9.4	-177.3	-70.2	-33.6	0	0	0	113.6	K75	D73-K75 PolarHBondContact O-N 2.78Å; D73-K75 VanDerWaalsContact O-N 3.15Å
74	D	75.8	Confident	88.7	Confident	97 Å²	97	47.1 Å²	47.1	52%	0.519	24%	0.242	S	C	.	.			trans	-73.3	103.7	174.9	-170.8	-4.9	0	0	0	110.7	E72 A76 D77	E72-D74 PolarHBondContact O-N 3.31Å; E72-D74 VanDerWaalsContact O-N 3.14Å; D74-A76 PolarHBondContact O-N 3.44Å; D74-A76 WeakPolarHBondContact OD1-CB 3.22Å; D74-A76 PolarHBondContact OD1-N 2.81Å; D74-D77 PolarHBondContact O-N 3.09Å
75	K	66.5	Low	88.8	Confident	201 Å²	201	47.2 Å²	47.2	87%	0.874	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.2	-179.8	-65.4	-174.1	-180	-179.2	0	113.5	D73	D73-K75 PolarHBondContact O-N 2.78Å; D73-K75 VanDerWaalsContact O-N 3.15Å
76	A	75.1	Confident	88.9	Confident	85 Å²	85	46.7 Å²	46.7	70%	0.702	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-19	179.7	0	0	0	0	0	114	D74 P78	D74-A76 PolarHBondContact O-N 3.44Å; D74-A76 WeakPolarHBondContact OD1-CB 3.22Å; D74-A76 PolarHBondContact OD1-N 2.81Å; A76-P78 WeakPolarHBondContact O-CD 3.42Å
77	D	81.3	Confident	89	Confident	25 Å²	25	46.8 Å²	46.8	13%	0.134	24%	0.237	C	C	.	.			trans	-87.3	115.4	175.3	-165.7	-10.3	0	0	0	110	D74 S79 R109	D74-D77 PolarHBondContact O-N 3.09Å; D77-S79 PolarHBondContact O-N 2.82Å; D77-S79 VanDerWaalsContact O-N 3.15Å; D77-S79 WeakPolarHBondContact OD1-CB 3.03Å; D77-S79 PolarHBondContact OD1-N 3.19Å; D77-S79 PolarHBondContact OD1-OG 3.33Å; D77-S79 PolarHBondContact OD2-OG 3.01Å; D77-R109 IonicContact OD1-NH2 3.88Å; D77-R109 PolarHBondContact OD1-NH2 2.81Å; D77-R109 VanDerWaalsContact OD1-NH2 3.13Å; D77-R109 IonicContact OD2-CZ 3.3Å; D77-R109 IonicContact OD2-NE 2.58Å; D77-R109 IonicContact OD2-NH2 3.31Å; D77-R109 PolarHBondContact OD2-NH2 2.83Å
78	P	85.8	Confident	88.9	Confident	38 Å²	38	47.1 Å²	47.1	25%	0.247	24%	0.239	C	C	.	.			trans	-71.6	-1	175.1	31.8	-36.9	0	0	0	112.8	A76 P116 N119	A76-P78 WeakPolarHBondContact O-CD 3.42Å; P78-P116 HydrophobicContact CB-CB 4.26Å; P78-P116 HydrophobicContact CB-CG 3.84Å; P78-P116 WeakPolarHBondContact O-CA 3.31Å; P78-N119 PolarHBondContact O-ND2 3.22Å
79	S	90	Very high	88.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.014	23%	0.234	C	C	.	.			trans	-72.1	148.9	-174.2	-55.6	0	0	0	0	113.5	D77 R109 L110 A111	D77-S79 PolarHBondContact O-N 2.82Å; D77-S79 VanDerWaalsContact O-N 3.15Å; D77-S79 WeakPolarHBondContact OD1-CB 3.03Å; D77-S79 PolarHBondContact OD1-N 3.19Å; D77-S79 PolarHBondContact OD1-OG 3.33Å; D77-S79 PolarHBondContact OD2-OG 3.01Å; S79-R109 PolarHBondContact OG-NE 3.26Å; S79-R109 PolarHBondContact OG-NH2 2.84Å; S79-L110 CarbonylContact C-O 3.55Å; S79-L110 WeakPolarHBondContact CA-O 3.33Å; S79-L110 WeakPolarHBondContact CB-O 3.36Å; S79-A111 VanDerWaalsContact OG-CB 3.29Å; S79-A111 WeakPolarHBondContact OG-CB 3.19Å
80	A	93.1	Very high	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	164	166.7	0	0	0	0	0	110	R71 L110 N119 L120 A123	R71-A80 HydrophobicContact CG-CB 4.32Å; A80-L110 PolarHBondContact N-O 3.03Å; A80-L110 PolarHBondContact O-N 2.95Å; A80-N119 VanDerWaalsContact CB-C 3.42Å; A80-N119 HydrophobicContact CB-CB 3.89Å; A80-N119 WeakPolarHBondContact CB-O 3.37Å; A80-L120 HydrophobicContact CB-CB 4.15Å; A80-L120 HydrophobicContact CB-CD1 4.44Å; A80-A123 HydrophobicContact CB-CB 3.98Å
81	Y	93.6	Very high	88.1	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.8	-177.6	-57.9	-94.4	0	0	0	109.5	A69 Y70 E72 F108 R109	A69-Y81 CarbonylContact C-O 3.6Å; A69-Y81 WeakPolarHBondContact CA-O 3.26Å; Y70-Y81 HydrophobicContact CD2-CD2 4.39Å; Y70-Y81 HydrophobicContact CE2-CD2 4.02Å; Y70-Y81 HydrophobicContact CE2-CG 4.14Å; Y70-Y81 PolarHBondContact N-O 2.65Å; Y70-Y81 PolarHBondContact O-N 2.73Å; E72-Y81 HydrophobicContact CB-CE2 4.34Å; E72-Y81 HydrophobicContact CG-CD2 4.29Å; E72-Y81 HydrophobicContact CG-CE2 3.63Å; E72-Y81 PolarHBondContact OE2-OH 3.39Å; Y81-F108 VanDerWaalsContact CA-O 3.24Å; Y81-F108 WeakPolarHBondContact CA-O 3.42Å; Y81-R109 HydrophobicContact CD1-CB 3.73Å; Y81-R109 HydrophobicContact CD1-CG 4.04Å; Y81-R109 HydrophobicContact CE1-CB 3.53Å; Y81-R109 HydrophobicContact CE1-CG 3.48Å; Y81-R109 VanDerWaalsContact CE1-CG 3.48Å; Y81-R109 PolarHBondContact OH-NE 2.8Å
82	F	95.6	Very high	87.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.3	157	75	-83.6	0	0	0	110.4	F23 R68 C107 F108 L110 A123 W126 A127	F23-F82 HydrophobicContact CD1-CE1 4.04Å; F23-F82 AromaticContact CE1-CE1 3.74Å; F23-F82 HydrophobicContact CE1-CE1 3.74Å; F23-F82 HydrophobicContact CE2-CE1 4.36Å; F23-F82 HydrophobicContact CE2-CZ 4.37Å; F23-F82 HydrophobicContact CG-CE1 4.48Å; F23-F82 AromaticContact CZ-CE1 3.91Å; F23-F82 HydrophobicContact CZ-CE1 3.91Å; F23-F82 HydrophobicContact CZ-CZ 4.3Å; R68-F82 CarbonylContact O-C 3.57Å; R68-F82 VanDerWaalsContact O-CA 3.23Å; R68-F82 WeakPolarHBondContact O-CA 3.32Å; F82-C107 WeakPolarHBondContact O-CA 3.44Å; F82-F108 HydrophobicContact CD1-CB 3.97Å; F82-F108 AromaticContact CD2-CD2 3.98Å; F82-F108 HydrophobicContact CD2-CD2 3.98Å; F82-F108 HydrophobicContact CE1-CB 3.5Å; F82-F108 VanDerWaalsContact CE1-CB 3.5Å; F82-F108 AromaticContact CE1-CD2 3.92Å; F82-F108 HydrophobicContact CE1-CD2 3.92Å; F82-F108 HydrophobicContact CE1-CG 4.01Å; F82-F108 HydrophobicContact CE2-CB 4.43Å; F82-F108 AromaticContact CE2-CD2 3.29Å; F82-F108 HydrophobicContact CE2-CD2 3.29Å; F82-F108 AromaticContact CE2-CE2 3.87Å; F82-F108 HydrophobicContact CE2-CE2 3.87Å; F82-F108 HydrophobicContact CE2-CG 4.2Å; F82-F108 HydrophobicContact CZ-CB 3.76Å; F82-F108 AromaticContact CZ-CD2 3.26Å; F82-F108 HydrophobicContact CZ-CD2 3.26Å; F82-F108 HydrophobicContact CZ-CE2 4.03Å; F82-F108 AromaticContact CZ-CG 3.71Å; F82-F108 HydrophobicContact CZ-CG 3.71Å; F82-F108 PolarHBondContact N-O 3.07Å; F82-F108 PolarHBondContact O-N 2.98Å; F82-L110 HydrophobicContact CD1-CD1 3.52Å; F82-L110 HydrophobicContact CE1-CD1 3.82Å; F82-A123 HydrophobicContact CB-CB 4.33Å; F82-W126 HydrophobicContact CD1-CB 3.91Å; F82-W126 HydrophobicContact CD1-CG 4.37Å; F82-W126 HydrophobicContact CD2-CB 4.1Å; F82-W126 HydrophobicContact CE1-CB 3.93Å; F82-W126 HydrophobicContact CE1-CD2 4.28Å; F82-W126 AromaticContact CE1-CG 3.96Å; F82-W126 HydrophobicContact CE1-CG 3.96Å; F82-W126 HydrophobicContact CE2-CB 4.11Å; F82-W126 HydrophobicContact CE2-CE3 4.32Å; F82-W126 HydrophobicContact CG-CB 4Å; F82-W126 HydrophobicContact CZ-CB 4.03Å; F82-W126 HydrophobicContact CZ-CD2 4.04Å; F82-W126 AromaticContact CZ-CE3 3.94Å; F82-W126 HydrophobicContact CZ-CE3 3.94Å; F82-W126 HydrophobicContact CZ-CG 4.09Å; F82-A127 HydrophobicContact CB-CB 4.34Å
83	A	96.2	Very high	85.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.9	-179.3	0	0	0	0	0	109.8	C67 R68 Y70 Y85 Q106 C107	C67-A83 CarbonylContact C-O 3.57Å; C67-A83 WeakPolarHBondContact CA-O 3.37Å; C67-A83 PolarHBondContact SG-O 2.79Å; R68-A83 PolarHBondContact N-O 2.56Å; R68-A83 PolarHBondContact O-N 3.41Å; Y70-A83 HydrophobicContact CE1-CB 4.18Å; A83-Y85 HydrophobicContact CB-CE1 4.16Å; A83-Y85 HydrophobicContact CB-CE2 4.42Å; A83-Y85 WeakPolarHBondContact CB-OH 3.42Å; A83-Q106 CarbonylContact C-O 3.48Å; A83-Q106 VanDerWaalsContact CA-O 3.31Å; A83-Q106 WeakPolarHBondContact CA-O 3.32Å; A83-C107 HydrophobicContact CB-CB 4.13Å
84	A	96.9	Very high	84.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134	176	0	0	0	0	0	110.5	L42 C67 F86 Q106 V130	L42-A84 HydrophobicContact CD2-CB 4.31Å; C67-A84 HydrophobicContact CB-CB 4.24Å; A84-F86 HydrophobicContact CB-CD2 4.33Å; A84-F86 HydrophobicContact CB-CE2 3.5Å; A84-F86 HydrophobicContact CB-CZ 4.17Å; A84-Q106 PolarHBondContact N-O 3.02Å; A84-Q106 PolarHBondContact O-N 3.42Å; A84-V130 HydrophobicContact CB-CG1 4.29Å
85	Y	97.1	Very high	83.8	Confident	3 Å²	3	67.9 Å²	67.9	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.8	-172.2	-53.1	-68.8	0	0	0	110.2	C64 V65 G66 R68 A83 R103 E105 E182	C64-Y85 WeakPolarHBondContact CA-O 3.31Å; C64-Y85 PolarHBondContact SG-O 3.31Å; C64-Y85 VanDerWaalsContact SG-O 3.39Å; V65-Y85 PolarHBondContact N-O 2.61Å; G66-Y85 PolarHBondContact O-N 2.73Å; R68-Y85 WeakPolarHBondContact CD-OH 3.33Å; R68-Y85 HydrophobicContact CG-CE2 3.97Å; R68-Y85 PolarHBondContact NE-OH 2.78Å; A83-Y85 HydrophobicContact CB-CE1 4.16Å; A83-Y85 HydrophobicContact CB-CE2 4.42Å; A83-Y85 WeakPolarHBondContact CB-OH 3.42Å; Y85-R103 VanDerWaalsContact CD1-NH2 3.33Å; Y85-R103 VanDerWaalsContact CE1-NH2 3.34Å; Y85-E105 HydrophobicContact CD1-CB 4.33Å; Y85-E105 HydrophobicContact CD1-CG 4.14Å; Y85-E105 HydrophobicContact CE1-CB 4.5Å; Y85-E105 HydrophobicContact CE1-CG 3.87Å; Y85-E182 HydrophobicContact CD1-CB 4.35Å; Y85-E182 VanDerWaalsContact CD1-CD 3.49Å; Y85-E182 HydrophobicContact CD1-CG 3.87Å; Y85-E182 WeakPolarHBondContact CD1-OE2 3.33Å; Y85-E182 HydrophobicContact CD2-CB 3.59Å; Y85-E182 HydrophobicContact CD2-CG 3.8Å; Y85-E182 HydrophobicContact CE1-CG 3.95Å; Y85-E182 HydrophobicContact CE2-CB 4.05Å; Y85-E182 HydrophobicContact CE2-CG 3.87Å; Y85-E182 HydrophobicContact CG-CB 3.77Å; Y85-E182 HydrophobicContact CG-CG 3.8Å
86	F	97.3	Very high	83.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.6	-176.7	-61.8	-99.7	0	0	0	111.3	L42 L59 S60 L61 D63 C64 A84 P88 R103 V104	L42-F86 HydrophobicContact CB-CZ 3.86Å; L42-F86 HydrophobicContact CD2-CE2 3.77Å; L42-F86 HydrophobicContact CD2-CZ 3.71Å; L42-F86 HydrophobicContact CG-CZ 4.44Å; L59-F86 HydrophobicContact CB-CD1 3.79Å; L59-F86 HydrophobicContact CB-CD2 4.42Å; L59-F86 HydrophobicContact CB-CE1 3.67Å; L59-F86 HydrophobicContact CB-CE2 4.31Å; L59-F86 HydrophobicContact CB-CG 4.17Å; L59-F86 HydrophobicContact CB-CZ 3.96Å; L59-F86 HydrophobicContact CD1-CD2 3.69Å; L59-F86 HydrophobicContact CD1-CE2 3.79Å; L59-F86 HydrophobicContact CD1-CG 4.07Å; L59-F86 HydrophobicContact CD1-CZ 4.27Å; S60-F86 WeakPolarHBondContact O-CD1 3.32Å; S60-F86 WeakPolarHBondContact O-CE1 3.45Å; L61-F86 HydrophobicContact CD2-CE1 4.35Å; L61-F86 HydrophobicContact CD2-CZ 4.48Å; D63-F86 CarbonylContact O-C 3.57Å; D63-F86 VanDerWaalsContact O-CA 3.25Å; D63-F86 WeakPolarHBondContact O-CA 3.35Å; C64-F86 HydrophobicContact CB-CD1 3.71Å; C64-F86 HydrophobicContact CB-CE1 3.59Å; C64-F86 HydrophobicContact CB-CG 4.46Å; C64-F86 HydrophobicContact CB-CZ 4.24Å; A84-F86 HydrophobicContact CB-CD2 4.33Å; A84-F86 HydrophobicContact CB-CE2 3.5Å; A84-F86 HydrophobicContact CB-CZ 4.17Å; F86-P88 VanDerWaalsContact C-CD 3.47Å; F86-R103 CarbonylContact O-C 3.54Å; F86-R103 WeakPolarHBondContact O-CA 3.05Å; F86-V104 HydrophobicContact CB-CB 4.33Å; F86-V104 PolarHBondContact N-O 2.92Å; F86-V104 PolarHBondContact O-N 2.82Å
87	Y	96.3	Very high	82.9	Confident	9 Å²	9	63.4 Å²	63.4	4%	0.035	29%	0.287	C	S	.	.			trans	-128.6	63.9	174	-73.1	-99.2	0	0	0	110.5	D63 V65 R101 Q102 R103 M179 V274 F278	D63-Y87 PolarHBondContact O-N 3.36Å; V65-Y87 HydrophobicContact CB-CD2 4.48Å; V65-Y87 HydrophobicContact CG1-CD2 3.77Å; V65-Y87 HydrophobicContact CG1-CE2 4.25Å; V65-Y87 HydrophobicContact CG2-CD2 3.83Å; V65-Y87 HydrophobicContact CG2-CE2 3.63Å; Y87-R101 WeakPolarHBondContact O-CD 3.43Å; Y87-R101 PolarHBondContact O-NH1 2.88Å; Y87-Q102 WeakPolarHBondContact CA-O 3.34Å; Y87-R103 HydrophobicContact CD1-CB 4.23Å; Y87-R103 HydrophobicContact CE1-CB 3.66Å; Y87-R103 HydrophobicContact CE1-CG 4.12Å; Y87-R103 HydrophobicContact CE2-CG 4.27Å; Y87-M179 HydrophobicContact CD1-CE 3.98Å; Y87-M179 HydrophobicContact CE1-CE 3.36Å; Y87-M179 HydrophobicContact CE2-CE 4.42Å; Y87-M179 HydrophobicContact CE2-CG 4.02Å; Y87-M179 WeakPolarHBondContact OH-CG 3.34Å; Y87-V274 HydrophobicContact CD1-CG1 3.85Å; Y87-V274 HydrophobicContact CE1-CG1 3.99Å; Y87-F278 HydrophobicContact CD2-CD2 4.47Å; Y87-F278 HydrophobicContact CG-CD2 4.29Å
88	P	95.3	Very high	82.8	Confident	13 Å²	13	63.9 Å²	63.9	8%	0.084	29%	0.294	C	S	.	.			trans	-65.6	152.7	177.9	28.6	-37.7	0	0	0	112.2	F86 R90 Q102 V104	F86-P88 VanDerWaalsContact C-CD 3.47Å; P88-R90 HydrophobicContact CB-CG 4.49Å; P88-R90 HydrophobicContact CG-CG 4.32Å; P88-R90 PolarHBondContact O-N 3.25Å; P88-Q102 VanDerWaalsContact CD-O 3.28Å; P88-Q102 WeakPolarHBondContact CD-O 3.23Å; P88-Q102 PolarHBondContact O-N 3.19Å; P88-Q102 VanDerWaalsContact O-N 3.09Å; P88-V104 HydrophobicContact CG-CB 4.49Å; P88-V104 HydrophobicContact CG-CG2 3.77Å
89	L	92.6	Very high	83	Confident	70 Å²	70	63.7 Å²	63.7	37%	0.366	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.8	167.4	-70.7	168.2	0	0	0	109.8	P99 R101 V264	L89-P99 HydrophobicContact CB-CB 4.25Å; L89-R101 HydrophobicContact CD2-CG 3.89Å; L89-V264 HydrophobicContact CD1-CG1 3.92Å; L89-V264 HydrophobicContact CD1-CG2 4.21Å; L89-V264 HydrophobicContact CD2-CG1 3.67Å; L89-V264 HydrophobicContact CG-CG1 4.46Å
90	R	89.9	Confident	83	Confident	101 Å²	101	63.7 Å²	63.7	38%	0.381	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.9	180	-67.6	-175.5	173.2	-170.5	-1.2	110.9	P88 S100 Q102	P88-R90 HydrophobicContact CB-CG 4.49Å; P88-R90 HydrophobicContact CG-CG 4.32Å; P88-R90 PolarHBondContact O-N 3.25Å; R90-S100 PolarHBondContact N-O 2.81Å; R90-S100 PolarHBondContact O-N 2.94Å; R90-S100 VanDerWaalsContact O-N 3.08Å; R90-Q102 HydrophobicContact CB-CG 4.41Å
91	K	82.9	Confident	83.1	Confident	155 Å²	155	65.2 Å²	65.2	67%	0.674	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-77.7	133.1	167.1	-68	-172.1	177.7	-174.9	0	109.3	R93 P99	K91-R93 PolarHBondContact O-N 2.97Å; K91-P99 HydrophobicContact CG-CB 4.31Å; K91-P99 HydrophobicContact CG-CG 3.92Å
92	R	71	Confident	83.1	Confident	119 Å²	119	67.8 Å²	67.8	45%	0.449	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.6	168.1	-73.9	-175.9	178.2	-172.3	0.5	108.4	W94 M95 E271	R92-W94 PolarHBondContact O-N 2.83Å; R92-M95 HydrophobicContact CB-CB 4.45Å; R92-M95 PolarHBondContact O-N 2.96Å; R92-E271 IonicContact CZ-OE1 3.66Å; R92-E271 IonicContact NE-OE1 3Å; R92-E271 IonicContact NH2-OE1 3.04Å
93	R	52.8	Low	83	Confident	231 Å²	231	71.4 Å²	71.4	87%	0.872	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	132.6	175.5	-68.8	-177.5	-179.1	178.4	0.6	107.8	K91	K91-R93 PolarHBondContact O-N 2.97Å
94	W	55	Low	83	Confident	261 Å²	261	72.1 Å²	72.1	99%	0.989	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	6.2	177.9	-50.8	86.8	0	0	0	118	R92	R92-W94 PolarHBondContact O-N 2.83Å
95	M	55.5	Low	82.9	Confident	112 Å²	112	75.2 Å²	75.2	55%	0.552	34%	0.343	S	S	*	.			trans	-116.5	142.3	170.9	-106.1	-178.3	-101.2	0	0	111.2	R92 S97	R92-M95 HydrophobicContact CB-CB 4.45Å; R92-M95 PolarHBondContact O-N 2.96Å; M95-S97 PolarHBondContact O-N 2.84Å
96	T	56.1	Low	82.7	Confident	156 Å²	156	76 Å²	76	96%	0.957	35%	0.347	S	S	*	.			trans	-75.9	5.8	171.7	48.6	0	0	0	0	112.9
97	S	67.1	Low	82.6	Confident	37 Å²	37	76.6 Å²	76.6	26%	0.259	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-66.6	153.7	-175.7	64.4	0	0	0	0	112.4	M95	M95-S97 PolarHBondContact O-N 2.84Å
98	A	79.3	Confident	82.4	Confident	34 Å²	34	76.1 Å²	76.1	28%	0.281	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-55.4	149.9	172.9	0	0	0	0	0	111.1	S100	A98-S100 PolarHBondContact O-N 2.87Å
99	P	88.6	Confident	82.2	Confident	34 Å²	34	78 Å²	78	22%	0.221	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-57.1	130.6	171.2	-19	30.3	0	0	0	110.5	L89 K91	L89-P99 HydrophobicContact CB-CB 4.25Å; K91-P99 HydrophobicContact CG-CB 4.31Å; K91-P99 HydrophobicContact CG-CG 3.92Å
100	S	91.4	Very high	82.1	Confident	3 Å²	3	75.4 Å²	75.4	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156.9	178.4	60.4	0	0	0	0	111.2	R90 A98 Q102 E271	R90-S100 PolarHBondContact N-O 2.81Å; R90-S100 PolarHBondContact O-N 2.94Å; R90-S100 VanDerWaalsContact O-N 3.08Å; A98-S100 PolarHBondContact O-N 2.87Å; S100-Q102 PolarHBondContact O-N 2.81Å; S100-E271 VanDerWaalsContact CB-CD 3.41Å; S100-E271 WeakPolarHBondContact CB-OE1 3.45Å; S100-E271 VanDerWaalsContact OG-CD 3.29Å; S100-E271 PolarHBondContact OG-OE1 3.15Å
101	R	94.1	Very high	81.8	Confident	32 Å²	32	72.9 Å²	72.9	12%	0.121	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.8	178.7	-70	-73.8	179.8	-168.8	3.9	109.5	D63 Y87 L89 V274	D63-R101 IonicContact OD1-CZ 3.31Å; D63-R101 IonicContact OD1-NH1 3.67Å; D63-R101 PolarHBondContact OD1-NH1 2.9Å; D63-R101 IonicContact OD1-NH2 2.78Å; D63-R101 PolarHBondContact OD1-NH2 2.88Å; D63-R101 IonicContact OD2-NH1 2.98Å; Y87-R101 WeakPolarHBondContact O-CD 3.43Å; Y87-R101 PolarHBondContact O-NH1 2.88Å; L89-R101 HydrophobicContact CD2-CG 3.89Å; R101-V274 HydrophobicContact CB-CG1 4.02Å
102	Q	93.6	Very high	81.7	Confident	53 Å²	53	70.1 Å²	70.1	25%	0.248	35%	0.347	C	S	.	.			trans	-130.4	131.7	-178.8	-67.3	179.3	8.8	0	0	111.2	Y87 P88 R90 S100 V104	Y87-Q102 WeakPolarHBondContact CA-O 3.34Å; P88-Q102 VanDerWaalsContact CD-O 3.28Å; P88-Q102 WeakPolarHBondContact CD-O 3.23Å; P88-Q102 PolarHBondContact O-N 3.19Å; P88-Q102 VanDerWaalsContact O-N 3.09Å; R90-Q102 HydrophobicContact CB-CG 4.41Å; S100-Q102 PolarHBondContact O-N 2.81Å; Q102-V104 PolarHBondContact O-N 2.97Å
103	R	94.5	Very high	82.2	Confident	77 Å²	77	68.4 Å²	68.4	29%	0.291	35%	0.347	S	S	.	.			trans	-63	130.9	177.9	-172.4	-179.7	174.8	-79.1	-2.9	111.1	Y85 F86 Y87 E105 R178 E182	Y85-R103 VanDerWaalsContact CD1-NH2 3.33Å; Y85-R103 VanDerWaalsContact CE1-NH2 3.34Å; F86-R103 CarbonylContact O-C 3.54Å; F86-R103 WeakPolarHBondContact O-CA 3.05Å; Y87-R103 HydrophobicContact CD1-CB 4.23Å; Y87-R103 HydrophobicContact CE1-CB 3.66Å; Y87-R103 HydrophobicContact CE1-CG 4.12Å; Y87-R103 HydrophobicContact CE2-CG 4.27Å; R103-E105 IonicContact CZ-OE2 2.73Å; R103-E105 IonicContact NH1-OE2 3.78Å; R103-E105 PolarHBondContact NH1-OE2 3.27Å; R103-E105 IonicContact NH2-OE2 3.54Å; R103-E105 PolarHBondContact NH2-OE2 3.46Å; R103-R178 VanDerWaalsContact CZ-CZ 3.41Å; R103-E182 IonicContact CZ-OE1 3.61Å; R103-E182 IonicContact CZ-OE2 3.77Å; R103-E182 IonicContact NE-OE1 3.49Å; R103-E182 PolarHBondContact NE-OE1 3.28Å; R103-E182 IonicContact NE-OE2 3.64Å; R103-E182 PolarHBondContact NE-OE2 3.09Å; R103-E182 IonicContact NH2-OE1 3.96Å; R103-E182 PolarHBondContact NH2-OE1 2.79Å; R103-E182 IonicContact NH2-OE2 3.92Å; R103-E182 PolarHBondContact NH2-OE2 2.8Å
104	V	94.9	Very high	83.6	Confident	15 Å²	15	65.9 Å²	65.9	9%	0.091	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.3	172.9	177.4	0	0	0	0	108.2	L59 F86 P88 Q102	L59-V104 HydrophobicContact CD1-CG1 4.18Å; L59-V104 HydrophobicContact CD2-CG1 4.3Å; F86-V104 HydrophobicContact CB-CB 4.33Å; F86-V104 PolarHBondContact N-O 2.92Å; F86-V104 PolarHBondContact O-N 2.82Å; P88-V104 HydrophobicContact CG-CB 4.49Å; P88-V104 HydrophobicContact CG-CG2 3.77Å; Q102-V104 PolarHBondContact O-N 2.97Å
105	E	95	Very high	85.2	Confident	65 Å²	65	57.2 Å²	57.2	30%	0.304	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.5	175.5	175.2	171.9	-167.3	0	0	110	Y85 R103 C107 R178	Y85-E105 HydrophobicContact CD1-CB 4.33Å; Y85-E105 HydrophobicContact CD1-CG 4.14Å; Y85-E105 HydrophobicContact CE1-CB 4.5Å; Y85-E105 HydrophobicContact CE1-CG 3.87Å; R103-E105 IonicContact CZ-OE2 2.73Å; R103-E105 IonicContact NH1-OE2 3.78Å; R103-E105 PolarHBondContact NH1-OE2 3.27Å; R103-E105 IonicContact NH2-OE2 3.54Å; R103-E105 PolarHBondContact NH2-OE2 3.46Å; E105-C107 HydrophobicContact CG-CB 4.5Å; E105-R178 IonicContact OE2-NH2 3.75Å
106	Q	94.5	Very high	86.7	Confident	20 Å²	20	53.4 Å²	53.4	9%	0.093	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108.7	169.3	-65.3	-57	-46.8	0	0	108.5	L42 L59 A83 A84 F108	L42-Q106 HydrophobicContact CD2-CB 4.45Å; L59-Q106 HydrophobicContact CD1-CG 3.46Å; L59-Q106 VanDerWaalsContact CD1-CG 3.46Å; A83-Q106 CarbonylContact C-O 3.48Å; A83-Q106 VanDerWaalsContact CA-O 3.31Å; A83-Q106 WeakPolarHBondContact CA-O 3.32Å; A84-Q106 PolarHBondContact N-O 3.02Å; A84-Q106 PolarHBondContact O-N 3.42Å; Q106-F108 HydrophobicContact CB-CE2 3.65Å; Q106-F108 HydrophobicContact CB-CZ 3.79Å
107	C	94.1	Very high	88.3	Confident	11 Å²	11	51.8 Å²	51.8	7%	0.074	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.7	-179.6	179.7	0	0	0	0	110.4	N26 Y70 F82 A83 E105	N26-C107 HydrophobicContact CB-CB 4.27Å; N26-C107 PolarHBondContact N-O 3.1Å; Y70-C107 PolarHBondContact OH-SG 3.43Å; F82-C107 WeakPolarHBondContact O-CA 3.44Å; A83-C107 HydrophobicContact CB-CB 4.13Å; E105-C107 HydrophobicContact CG-CB 4.5Å
108	F	92.4	Very high	89.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133	-175.2	-57.2	-75.8	0	0	0	109.9	F23 V35 L42 V44 Y81 F82 Q106	F23-F108 HydrophobicContact CB-CB 3.89Å; F23-F108 HydrophobicContact CB-CD1 3.9Å; F23-F108 HydrophobicContact CB-CG 4.27Å; F23-F108 HydrophobicContact CD1-CB 4.19Å; F23-F108 HydrophobicContact CG-CB 3.99Å; F23-F108 HydrophobicContact CG-CD1 4.37Å; F23-F108 HydrophobicContact CG-CG 4.39Å; V35-F108 HydrophobicContact CG1-CZ 4.42Å; V35-F108 HydrophobicContact CG2-CD1 3.71Å; V35-F108 HydrophobicContact CG2-CE1 3.29Å; V35-F108 HydrophobicContact CG2-CE2 4.3Å; V35-F108 HydrophobicContact CG2-CG 4.36Å; V35-F108 HydrophobicContact CG2-CZ 3.62Å; L42-F108 HydrophobicContact CD2-CE2 4.32Å; V44-F108 HydrophobicContact CG1-CE1 3.85Å; V44-F108 HydrophobicContact CG1-CZ 4Å; V44-F108 HydrophobicContact CG2-CE1 4.37Å; V44-F108 HydrophobicContact CG2-CZ 3.68Å; Y81-F108 VanDerWaalsContact CA-O 3.24Å; Y81-F108 WeakPolarHBondContact CA-O 3.42Å; F82-F108 HydrophobicContact CD1-CB 3.97Å; F82-F108 AromaticContact CD2-CD2 3.98Å; F82-F108 HydrophobicContact CD2-CD2 3.98Å; F82-F108 HydrophobicContact CE1-CB 3.5Å; F82-F108 VanDerWaalsContact CE1-CB 3.5Å; F82-F108 AromaticContact CE1-CD2 3.92Å; F82-F108 HydrophobicContact CE1-CD2 3.92Å; F82-F108 HydrophobicContact CE1-CG 4.01Å; F82-F108 HydrophobicContact CE2-CB 4.43Å; F82-F108 AromaticContact CE2-CD2 3.29Å; F82-F108 HydrophobicContact CE2-CD2 3.29Å; F82-F108 AromaticContact CE2-CE2 3.87Å; F82-F108 HydrophobicContact CE2-CE2 3.87Å; F82-F108 HydrophobicContact CE2-CG 4.2Å; F82-F108 HydrophobicContact CZ-CB 3.76Å; F82-F108 AromaticContact CZ-CD2 3.26Å; F82-F108 HydrophobicContact CZ-CD2 3.26Å; F82-F108 HydrophobicContact CZ-CE2 4.03Å; F82-F108 AromaticContact CZ-CG 3.71Å; F82-F108 HydrophobicContact CZ-CG 3.71Å; F82-F108 PolarHBondContact N-O 3.07Å; F82-F108 PolarHBondContact O-N 2.98Å; Q106-F108 HydrophobicContact CB-CE2 3.65Å; Q106-F108 HydrophobicContact CB-CZ 3.79Å
109	R	91.6	Very high	90	Very high	53 Å²	53	49.6 Å²	49.6	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.7	178.2	-178.8	179.8	-171.9	-98.1	6.8	110.3	T24 D77 S79 Y81 A111	T24-R109 PolarHBondContact O-N 2.89Å; T24-R109 WeakPolarHBondContact OG1-CB 3.14Å; D77-R109 IonicContact OD1-NH2 3.88Å; D77-R109 PolarHBondContact OD1-NH2 2.81Å; D77-R109 VanDerWaalsContact OD1-NH2 3.13Å; D77-R109 IonicContact OD2-CZ 3.3Å; D77-R109 IonicContact OD2-NE 2.58Å; D77-R109 IonicContact OD2-NH2 3.31Å; D77-R109 PolarHBondContact OD2-NH2 2.83Å; S79-R109 PolarHBondContact OG-NE 3.26Å; S79-R109 PolarHBondContact OG-NH2 2.84Å; Y81-R109 HydrophobicContact CD1-CB 3.73Å; Y81-R109 HydrophobicContact CD1-CG 4.04Å; Y81-R109 HydrophobicContact CE1-CB 3.53Å; Y81-R109 HydrophobicContact CE1-CG 3.48Å; Y81-R109 VanDerWaalsContact CE1-CG 3.48Å; Y81-R109 PolarHBondContact OH-NE 2.8Å; R109-A111 VanDerWaalsContact NH1-CB 3.33Å
110	L	88.9	Confident	90.2	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119	173.7	-73.8	83.4	0	0	0	108.7	F23 S79 A80 F82 E122 A123	F23-L110 HydrophobicContact CD1-CD1 3.79Å; F23-L110 HydrophobicContact CD1-CG 3.87Å; F23-L110 HydrophobicContact CE1-CD1 3.72Å; F23-L110 HydrophobicContact CE1-CD2 4Å; F23-L110 HydrophobicContact CE1-CG 3.67Å; S79-L110 CarbonylContact C-O 3.55Å; S79-L110 WeakPolarHBondContact CA-O 3.33Å; S79-L110 WeakPolarHBondContact CB-O 3.36Å; A80-L110 PolarHBondContact N-O 3.03Å; A80-L110 PolarHBondContact O-N 2.95Å; F82-L110 HydrophobicContact CD1-CD1 3.52Å; F82-L110 HydrophobicContact CE1-CD1 3.82Å; L110-E122 HydrophobicContact CD2-CB 3.71Å; L110-E122 HydrophobicContact CD2-CG 3.52Å; L110-A123 HydrophobicContact CD1-CB 4.15Å; L110-A123 HydrophobicContact CD2-CB 4.35Å
111	A	85.2	Confident	90.4	Very high	48 Å²	48	56 Å²	56	40%	0.397	30%	0.295	S	S	.	.			trans	-142.5	27.3	179.5	0	0	0	0	0	111	S79 R109 L113	S79-A111 VanDerWaalsContact OG-CB 3.29Å; S79-A111 WeakPolarHBondContact OG-CB 3.19Å; R109-A111 VanDerWaalsContact NH1-CB 3.33Å; A111-L113 VanDerWaalsContact C-N 3.34Å
112	A	80.1	Confident	90.4	Very high	97 Å²	97	57.5 Å²	57.5	80%	0.802	30%	0.303	S	S	*	.	S	Bend	trans	-76.4	-26.8	-174.4	0	0	0	0	0	111.8	N119	A112-N119 PolarHBondContact N-OD1 2.89Å
113	L	81.7	Confident	90.4	Very high	83 Å²	83	55 Å²	55	44%	0.435	29%	0.291	S	S	.	.	S	Bend	trans	-106.9	148.2	-176.9	-53.1	175.9	0	0	0	110.3	A111 D115 A118 N119	A111-L113 VanDerWaalsContact C-N 3.34Å; L113-D115 VanDerWaalsContact C-N 3.31Å; L113-A118 HydrophobicContact CB-CB 4.44Å; L113-A118 HydrophobicContact CD1-CB 3.35Å; L113-N119 WeakPolarHBondContact CB-OD1 3.41Å; L113-N119 PolarHBondContact N-OD1 2.97Å; L113-N119 VanDerWaalsContact N-OD1 3.1Å; L113-N119 PolarHBondContact O-ND2 2.97Å
114	Q	82.8	Confident	90.5	Very high	179 Å²	179	55.2 Å²	55.2	84%	0.836	30%	0.295	S	S	*	.	S	Bend	trans	-73.3	-29.1	171.9	-67.1	-64.3	-25.2	0	0	111.5	P116	Q114-P116 VanDerWaalsContact O-CD 3.31Å; Q114-P116 WeakPolarHBondContact O-CD 3.39Å
115	D	87.9	Confident	90.6	Very high	78 Å²	78	59 Å²	59	42%	0.417	31%	0.311	S	S	.	.			trans	-77.3	116.9	176.3	176.5	21.3	0	0	0	110.8	L113 H117 A118 N119	L113-D115 VanDerWaalsContact C-N 3.31Å; D115-H117 VanDerWaalsContact C-N 3.25Å; D115-H117 PolarHBondContact O-N 3.44Å; D115-H117 IonicContact OD1-CD2 3.46Å; D115-H117 PolarHBondContact OD1-N 3.35Å; D115-A118 HydrophobicContact CB-CB 4.06Å; D115-A118 PolarHBondContact O-N 2.89Å; D115-A118 WeakPolarHBondContact OD2-CB 3.3Å; D115-A118 PolarHBondContact OD2-N 3.48Å; D115-A118 VanDerWaalsContact OD2-N 3.15Å; D115-N119 PolarHBondContact O-N 3.45Å; D115-N119 PolarHBondContact O-ND2 3.28Å
116	P	86.9	Confident	90.6	Very high	33 Å²	33	56.1 Å²	56.1	21%	0.214	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-27.9	177.5	-15.6	27.9	0	0	0	114.2	R71 P78 Q114 L120	R71-P116 VanDerWaalsContact NH2-CB 3.26Å; P78-P116 HydrophobicContact CB-CB 4.26Å; P78-P116 HydrophobicContact CB-CG 3.84Å; P78-P116 WeakPolarHBondContact O-CA 3.31Å; Q114-P116 VanDerWaalsContact O-CD 3.31Å; Q114-P116 WeakPolarHBondContact O-CD 3.39Å; P116-L120 PolarHBondContact O-N 3.05Å
117	H	89.3	Confident	90.7	Very high	121 Å²	121	55.2 Å²	55.2	56%	0.56	29%	0.293	S	S	*	.	H	α-helix	trans	-70.2	-47.1	178.4	-72.1	-77.5	0	0	0	110.7	D115 N119 L120 E121	D115-H117 VanDerWaalsContact C-N 3.25Å; D115-H117 PolarHBondContact O-N 3.44Å; D115-H117 IonicContact OD1-CD2 3.46Å; D115-H117 PolarHBondContact OD1-N 3.35Å; H117-N119 VanDerWaalsContact C-N 3.31Å; H117-N119 PolarHBondContact O-N 3.33Å; H117-L120 WeakPolarHBondContact O-CB 3.25Å; H117-L120 PolarHBondContact O-N 3.5Å; H117-E121 PolarHBondContact O-N 3.02Å
118	A	91.4	Very high	90.8	Very high	24 Å²	24	60.4 Å²	60.4	20%	0.198	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-35.6	176.3	0	0	0	0	0	113.4	L113 D115 L120 E121 E122	L113-A118 HydrophobicContact CB-CB 4.44Å; L113-A118 HydrophobicContact CD1-CB 3.35Å; D115-A118 HydrophobicContact CB-CB 4.06Å; D115-A118 PolarHBondContact O-N 2.89Å; D115-A118 WeakPolarHBondContact OD2-CB 3.3Å; D115-A118 PolarHBondContact OD2-N 3.48Å; D115-A118 VanDerWaalsContact OD2-N 3.15Å; A118-L120 VanDerWaalsContact C-N 3.34Å; A118-E121 PolarHBondContact O-N 3.33Å; A118-E122 PolarHBondContact O-N 3.26Å; A118-E122 VanDerWaalsContact O-N 3.15Å
119	N	91.6	Very high	90.9	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.011	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-40	172.6	-75.6	-40.8	0	0	0	111.8	P78 A80 A112 L113 D115 H117 A123	P78-N119 PolarHBondContact O-ND2 3.22Å; A80-N119 VanDerWaalsContact CB-C 3.42Å; A80-N119 HydrophobicContact CB-CB 3.89Å; A80-N119 WeakPolarHBondContact CB-O 3.37Å; A112-N119 PolarHBondContact N-OD1 2.89Å; L113-N119 WeakPolarHBondContact CB-OD1 3.41Å; L113-N119 PolarHBondContact N-OD1 2.97Å; L113-N119 VanDerWaalsContact N-OD1 3.1Å; L113-N119 PolarHBondContact O-ND2 2.97Å; D115-N119 PolarHBondContact O-N 3.45Å; D115-N119 PolarHBondContact O-ND2 3.28Å; H117-N119 VanDerWaalsContact C-N 3.31Å; H117-N119 PolarHBondContact O-N 3.33Å; N119-A123 PolarHBondContact O-N 3.48Å
120	L	93.2	Very high	91.1	Very high	37 Å²	37	58.6 Å²	58.6	19%	0.194	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-42.2	177.8	179.1	59.7	0	0	0	111.8	A69 R71 A80 P116 H117 A118 E122 A123 E124	A69-L120 HydrophobicContact CB-CD1 4.34Å; R71-L120 HydrophobicContact CG-CB 4.38Å; R71-L120 HydrophobicContact CG-CD1 4.26Å; R71-L120 HydrophobicContact CG-CD2 4.31Å; A80-L120 HydrophobicContact CB-CB 4.15Å; A80-L120 HydrophobicContact CB-CD1 4.44Å; P116-L120 PolarHBondContact O-N 3.05Å; H117-L120 WeakPolarHBondContact O-CB 3.25Å; H117-L120 PolarHBondContact O-N 3.5Å; A118-L120 VanDerWaalsContact C-N 3.34Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 3.25Å; L120-A123 WeakPolarHBondContact O-CB 3.3Å; L120-A123 PolarHBondContact O-N 3.31Å; L120-A123 VanDerWaalsContact O-N 3.17Å; L120-E124 HydrophobicContact CD1-CG 4.34Å; L120-E124 WeakPolarHBondContact O-CB 3.25Å; L120-E124 WeakPolarHBondContact O-CG 3.29Å; L120-E124 PolarHBondContact O-N 3.16Å
121	E	94.3	Very high	91.3	Very high	135 Å²	135	62.9 Å²	62.9	63%	0.631	32%	0.323	S	S	*	.	H	α-helix	trans	-59.6	-42.5	176.1	-72.1	-177.2	172	0	0	112.1	H117 A118 E124 K125	H117-E121 PolarHBondContact O-N 3.02Å; A118-E121 PolarHBondContact O-N 3.33Å; E121-E124 PolarHBondContact O-N 3.44Å; E121-K125 WeakPolarHBondContact O-CB 3.48Å; E121-K125 PolarHBondContact O-N 3.21Å
122	E	93.9	Very high	91.7	Very high	63 Å²	63	64.9 Å²	64.9	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-67.1	-40.5	175.4	-173.3	63.4	-153.3	0	0	110.9	L110 A118 L120 E124 K125 W126	L110-E122 HydrophobicContact CD2-CB 3.71Å; L110-E122 HydrophobicContact CD2-CG 3.52Å; A118-E122 PolarHBondContact O-N 3.26Å; A118-E122 VanDerWaalsContact O-N 3.15Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 3.25Å; E122-E124 VanDerWaalsContact C-N 3.31Å; E122-E124 PolarHBondContact O-N 3.43Å; E122-K125 WeakPolarHBondContact O-CB 3.31Å; E122-K125 PolarHBondContact O-N 2.79Å; E122-K125 IonicContact OE1-NZ 3.65Å; E122-K125 PolarHBondContact OE1-NZ 3.05Å; E122-K125 VanDerWaalsContact OE1-NZ 3.12Å; E122-K125 WeakPolarHBondContact OE2-CD 3.47Å; E122-K125 IonicContact OE2-NZ 2.82Å; E122-K125 PolarHBondContact OE2-NZ 2.81Å; E122-W126 VanDerWaalsContact O-CD1 3.27Å; E122-W126 PolarHBondContact O-N 3.16Å; E122-W126 VanDerWaalsContact O-N 3.08Å; E122-W126 PolarHBondContact OE1-NE1 3.1Å; E122-W126 VanDerWaalsContact OE1-NE1 3.08Å
123	A	95.2	Very high	92.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-40.4	174.6	0	0	0	0	0	111.9	A69 A80 F82 L110 N119 L120 W126 A127	A69-A123 HydrophobicContact CB-CB 3.9Å; A80-A123 HydrophobicContact CB-CB 3.98Å; F82-A123 HydrophobicContact CB-CB 4.33Å; L110-A123 HydrophobicContact CD1-CB 4.15Å; L110-A123 HydrophobicContact CD2-CB 4.35Å; N119-A123 PolarHBondContact O-N 3.48Å; L120-A123 WeakPolarHBondContact O-CB 3.3Å; L120-A123 PolarHBondContact O-N 3.31Å; L120-A123 VanDerWaalsContact O-N 3.17Å; A123-W126 PolarHBondContact O-N 2.84Å; A123-A127 WeakPolarHBondContact O-CB 3.41Å; A123-A127 PolarHBondContact O-N 2.81Å
124	E	96.1	Very high	92.8	Very high	81 Å²	81	57.9 Å²	57.9	38%	0.379	27%	0.272	S	S	.	.	H	α-helix	trans	-65.4	-40.4	175.7	-78.3	-176.3	-176.5	0	0	112.6	A69 L120 E121 E122 W126 A127 R128	A69-E124 HydrophobicContact CB-CB 4.33Å; A69-E124 HydrophobicContact CB-CG 3.7Å; L120-E124 HydrophobicContact CD1-CG 4.34Å; L120-E124 WeakPolarHBondContact O-CB 3.25Å; L120-E124 WeakPolarHBondContact O-CG 3.29Å; L120-E124 PolarHBondContact O-N 3.16Å; E121-E124 PolarHBondContact O-N 3.44Å; E122-E124 VanDerWaalsContact C-N 3.31Å; E122-E124 PolarHBondContact O-N 3.43Å; E124-W126 VanDerWaalsContact C-N 3.34Å; E124-W126 PolarHBondContact O-N 3.07Å; E124-A127 PolarHBondContact O-N 3.36Å; E124-R128 WeakPolarHBondContact O-CB 3.27Å; E124-R128 PolarHBondContact O-N 3.09Å
125	K	95.8	Very high	93	Very high	96 Å²	96	51 Å²	51	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-58.7	-45.3	174.1	175	-171.6	165.9	-159	0	111.2	E121 E122 A129	E121-K125 WeakPolarHBondContact O-CB 3.48Å; E121-K125 PolarHBondContact O-N 3.21Å; E122-K125 WeakPolarHBondContact O-CB 3.31Å; E122-K125 PolarHBondContact O-N 2.79Å; E122-K125 IonicContact OE1-NZ 3.65Å; E122-K125 PolarHBondContact OE1-NZ 3.05Å; E122-K125 VanDerWaalsContact OE1-NZ 3.12Å; E122-K125 WeakPolarHBondContact OE2-CD 3.47Å; E122-K125 IonicContact OE2-NZ 2.82Å; E122-K125 PolarHBondContact OE2-NZ 2.81Å; K125-A129 WeakPolarHBondContact O-CB 3.49Å; K125-A129 PolarHBondContact O-N 2.84Å
126	W	96.3	Very high	92.9	Very high	4 Å²	4	53 Å²	53	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-48.2	174.1	-83.4	88.7	0	0	0	112.1	L19 F23 V35 L37 F82 E122 A123 E124 R128 A129 V130	L19-W126 HydrophobicContact CB-CH2 4.22Å; L19-W126 HydrophobicContact CB-CZ3 4.39Å; L19-W126 HydrophobicContact CD1-CZ2 4.35Å; L19-W126 HydrophobicContact CD2-CD2 3.5Å; L19-W126 VanDerWaalsContact CD2-CD2 3.5Å; L19-W126 HydrophobicContact CD2-CE3 3.59Å; L19-W126 HydrophobicContact CD2-CG 4.13Å; L19-W126 HydrophobicContact CD2-CH2 3.91Å; L19-W126 HydrophobicContact CD2-CZ2 3.8Å; L19-W126 HydrophobicContact CD2-CZ3 3.79Å; L19-W126 HydrophobicContact CG-CD2 4.24Å; L19-W126 HydrophobicContact CG-CE3 4.25Å; L19-W126 HydrophobicContact CG-CH2 3.62Å; L19-W126 HydrophobicContact CG-CZ2 3.55Å; L19-W126 HydrophobicContact CG-CZ3 3.95Å; L19-W126 WeakPolarHBondContact O-CH2 3.41Å; F23-W126 HydrophobicContact CE2-CH2 4.06Å; F23-W126 AromaticContact CE2-CZ2 3.8Å; F23-W126 HydrophobicContact CE2-CZ2 3.8Å; F23-W126 HydrophobicContact CZ-CD2 4.02Å; F23-W126 AromaticContact CZ-CE2 3.47Å; F23-W126 VanDerWaalsContact CZ-CE2 3.47Å; F23-W126 HydrophobicContact CZ-CG 4.43Å; F23-W126 HydrophobicContact CZ-CH2 4.3Å; F23-W126 AromaticContact CZ-CZ2 3.62Å; F23-W126 HydrophobicContact CZ-CZ2 3.62Å; F23-W126 AromaticContact CZ-NE1 3.62Å; V35-W126 HydrophobicContact CG1-CH2 4.33Å; V35-W126 HydrophobicContact CG1-CZ3 3.86Å; L37-W126 HydrophobicContact CB-CZ3 3.93Å; F82-W126 HydrophobicContact CD1-CB 3.91Å; F82-W126 HydrophobicContact CD1-CG 4.37Å; F82-W126 HydrophobicContact CD2-CB 4.1Å; F82-W126 HydrophobicContact CE1-CB 3.93Å; F82-W126 HydrophobicContact CE1-CD2 4.28Å; F82-W126 AromaticContact CE1-CG 3.96Å; F82-W126 HydrophobicContact CE1-CG 3.96Å; F82-W126 HydrophobicContact CE2-CB 4.11Å; F82-W126 HydrophobicContact CE2-CE3 4.32Å; F82-W126 HydrophobicContact CG-CB 4Å; F82-W126 HydrophobicContact CZ-CB 4.03Å; F82-W126 HydrophobicContact CZ-CD2 4.04Å; F82-W126 AromaticContact CZ-CE3 3.94Å; F82-W126 HydrophobicContact CZ-CE3 3.94Å; F82-W126 HydrophobicContact CZ-CG 4.09Å; E122-W126 VanDerWaalsContact O-CD1 3.27Å; E122-W126 PolarHBondContact O-N 3.16Å; E122-W126 VanDerWaalsContact O-N 3.08Å; E122-W126 PolarHBondContact OE1-NE1 3.1Å; E122-W126 VanDerWaalsContact OE1-NE1 3.08Å; A123-W126 PolarHBondContact O-N 2.84Å; E124-W126 VanDerWaalsContact C-N 3.34Å; E124-W126 PolarHBondContact O-N 3.07Å; W126-R128 VanDerWaalsContact C-N 3.31Å; W126-R128 PolarHBondContact O-N 3.07Å; W126-A129 PolarHBondContact O-N 3.42Å; W126-V130 WeakPolarHBondContact O-CG2 3.41Å; W126-V130 PolarHBondContact O-N 2.95Å
127	A	96.2	Very high	92.7	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-40.6	-179.5	0	0	0	0	0	112.2	C67 A69 F82 A123 E124 V130 R131	C67-A127 HydrophobicContact CB-CB 4.43Å; C67-A127 VanDerWaalsContact SG-CA 3.54Å; A69-A127 HydrophobicContact CB-CB 4.11Å; F82-A127 HydrophobicContact CB-CB 4.34Å; A123-A127 WeakPolarHBondContact O-CB 3.41Å; A123-A127 PolarHBondContact O-N 2.81Å; E124-A127 PolarHBondContact O-N 3.36Å; A127-V130 PolarHBondContact O-N 3.35Å; A127-R131 WeakPolarHBondContact O-CG 3.36Å; A127-R131 PolarHBondContact O-N 3.18Å
128	R	95.5	Very high	91.8	Very high	120 Å²	120	47.2 Å²	47.2	45%	0.453	22%	0.218	S	C	.	.	H	α-helix	trans	-62.5	-48.3	174.6	-172.5	-175.4	-58.5	132.1	6.2	111.1	E124 W126 V130 R131 E132	E124-R128 WeakPolarHBondContact O-CB 3.27Å; E124-R128 PolarHBondContact O-N 3.09Å; W126-R128 VanDerWaalsContact C-N 3.31Å; W126-R128 PolarHBondContact O-N 3.07Å; R128-V130 VanDerWaalsContact C-N 3.32Å; R128-V130 PolarHBondContact O-N 3.12Å; R128-R131 PolarHBondContact O-N 3.15Å; R128-E132 WeakPolarHBondContact CD-OE1 3.14Å; R128-E132 HydrophobicContact CG-CG 4.37Å; R128-E132 VanDerWaalsContact CG-OE1 3.25Å; R128-E132 WeakPolarHBondContact CG-OE1 3.29Å; R128-E132 WeakPolarHBondContact O-CB 3.45Å; R128-E132 WeakPolarHBondContact O-CG 3.25Å; R128-E132 PolarHBondContact O-N 2.84Å
129	A	95.9	Very high	90.6	Very high	15 Å²	15	53.5 Å²	53.5	12%	0.124	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-41.4	178.5	0	0	0	0	0	112.4	L19 L37 K125 W126 R133	L19-A129 HydrophobicContact CD2-CB 4.12Å; L37-A129 HydrophobicContact CD2-CB 3.67Å; K125-A129 WeakPolarHBondContact O-CB 3.49Å; K125-A129 PolarHBondContact O-N 2.84Å; W126-A129 PolarHBondContact O-N 3.42Å; A129-R133 WeakPolarHBondContact O-CB 3.38Å; A129-R133 VanDerWaalsContact O-CG 3.27Å; A129-R133 WeakPolarHBondContact O-CG 2.92Å; A129-R133 PolarHBondContact O-N 3.46Å; A129-R133 VanDerWaalsContact O-N 3.1Å
130	V	96	Very high	89	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-48.1	175.4	173	0	0	0	0	111	L37 L61 C67 A84 W126 A127 R128 S134	L37-V130 HydrophobicContact CD1-CG2 3.98Å; L37-V130 HydrophobicContact CD2-CG2 3.83Å; L61-V130 HydrophobicContact CD2-CG1 4.02Å; C67-V130 HydrophobicContact CB-CB 4.02Å; C67-V130 HydrophobicContact CB-CG1 3.79Å; A84-V130 HydrophobicContact CB-CG1 4.29Å; W126-V130 WeakPolarHBondContact O-CG2 3.41Å; W126-V130 PolarHBondContact O-N 2.95Å; A127-V130 PolarHBondContact O-N 3.35Å; R128-V130 VanDerWaalsContact C-N 3.32Å; R128-V130 PolarHBondContact O-N 3.12Å; V130-S134 WeakPolarHBondContact O-CB 3.45Å; V130-S134 PolarHBondContact O-N 2.88Å
131	R	93.1	Very high	87.1	Confident	105 Å²	105	61.9 Å²	61.9	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-48.2	179.3	-72.7	-170.9	-57.1	-93	1.4	111.9	C67 A127 R128 R133 S134 A135	C67-R131 HydrophobicContact CB-CG 4.12Å; C67-R131 WeakPolarHBondContact O-CD 3.14Å; C67-R131 PolarHBondContact O-NH1 3.45Å; A127-R131 WeakPolarHBondContact O-CG 3.36Å; A127-R131 PolarHBondContact O-N 3.18Å; R128-R131 PolarHBondContact O-N 3.15Å; R131-R133 PolarHBondContact O-N 3.24Å; R131-S134 PolarHBondContact O-N 2.98Å; R131-A135 WeakPolarHBondContact O-CB 3.49Å; R131-A135 PolarHBondContact O-N 2.94Å
132	E	91.9	Very high	84.9	Confident	90 Å²	90	62.1 Å²	62.1	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-45.9	-179.3	-74.4	176.2	-169.9	0	0	112.1	R128 A135 R136	R128-E132 WeakPolarHBondContact CD-OE1 3.14Å; R128-E132 HydrophobicContact CG-CG 4.37Å; R128-E132 VanDerWaalsContact CG-OE1 3.25Å; R128-E132 WeakPolarHBondContact CG-OE1 3.29Å; R128-E132 WeakPolarHBondContact O-CB 3.45Å; R128-E132 WeakPolarHBondContact O-CG 3.25Å; R128-E132 PolarHBondContact O-N 2.84Å; E132-A135 PolarHBondContact O-N 3.39Å; E132-R136 WeakPolarHBondContact O-CG 3.48Å; E132-R136 PolarHBondContact O-N 3.16Å
133	R	93.6	Very high	82.6	Confident	24 Å²	24	66.7 Å²	66.7	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-69	-37.7	179.2	-65	178.4	-171.8	-163	-0.4	111.7	A17 L37 T38 E39 L61 A129 R131 R136 Q137	A17-R133 PolarHBondContact O-NH2 3.21Å; L37-R133 PolarHBondContact O-NH1 3.26Å; T38-R133 VanDerWaalsContact O-CD 3.26Å; T38-R133 WeakPolarHBondContact O-CD 3.24Å; T38-R133 PolarHBondContact O-NH1 2.84Å; E39-R133 IonicContact OE1-CZ 3.12Å; E39-R133 IonicContact OE1-NE 3.13Å; E39-R133 PolarHBondContact OE1-NE 2.89Å; E39-R133 IonicContact OE1-NH1 2.87Å; L61-R133 HydrophobicContact CD1-CB 3.54Å; A129-R133 WeakPolarHBondContact O-CB 3.38Å; A129-R133 VanDerWaalsContact O-CG 3.27Å; A129-R133 WeakPolarHBondContact O-CG 2.92Å; A129-R133 PolarHBondContact O-N 3.46Å; A129-R133 VanDerWaalsContact O-N 3.1Å; R131-R133 PolarHBondContact O-N 3.24Å; R133-R136 PolarHBondContact O-N 3.16Å; R133-Q137 WeakPolarHBondContact O-CG 3.19Å; R133-Q137 PolarHBondContact O-N 3.32Å
134	S	91.9	Very high	80.5	Confident	8 Å²	8	71.1 Å²	71.1	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-40.7	173	-175.7	0	0	0	0	112.9	L61 C64 V130 R131 Q137 Q138 R282	L61-S134 WeakPolarHBondContact O-CB 3.34Å; L61-S134 PolarHBondContact O-OG 2.85Å; C64-S134 PolarHBondContact O-OG 3.31Å; V130-S134 WeakPolarHBondContact O-CB 3.45Å; V130-S134 PolarHBondContact O-N 2.88Å; R131-S134 PolarHBondContact O-N 2.98Å; S134-Q137 WeakPolarHBondContact O-CB 3.3Å; S134-Q137 PolarHBondContact O-N 3.42Å; S134-Q138 PolarHBondContact O-N 3.45Å; S134-R282 PolarHBondContact OG-NH1 3.41Å
135	A	86.9	Confident	78.5	Confident	35 Å²	35	74.8 Å²	74.8	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-39.1	175.3	0	0	0	0	0	111.9	R131 E132 Q137 Q138	R131-A135 WeakPolarHBondContact O-CB 3.49Å; R131-A135 PolarHBondContact O-N 2.94Å; E132-A135 PolarHBondContact O-N 3.39Å; A135-Q137 VanDerWaalsContact C-N 3.3Å; A135-Q137 PolarHBondContact O-N 2.91Å; A135-Q138 VanDerWaalsContact O-CB 3.27Å; A135-Q138 WeakPolarHBondContact O-CB 3.41Å; A135-Q138 PolarHBondContact O-N 3.49Å
136	R	85.8	Confident	77	Confident	119 Å²	119	72.5 Å²	72.5	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-38.5	172.8	-70.8	174.3	-167.7	164.4	5.1	112.1	E39 E132 R133 Q138 R139 L140	E39-R136 IonicContact OE2-NH1 3.82Å; E132-R136 WeakPolarHBondContact O-CG 3.48Å; E132-R136 PolarHBondContact O-N 3.16Å; R133-R136 PolarHBondContact O-N 3.16Å; R136-Q138 PolarHBondContact O-N 3.15Å; R136-R139 PolarHBondContact O-N 3.38Å; R136-L140 WeakPolarHBondContact O-CD1 3.43Å
137	Q	82.1	Confident	76.1	Confident	13 Å²	13	76.5 Å²	76.5	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-64.6	-19.5	174.5	-65.7	-56.8	-49.2	0	0	113.5	E39 L61 R62 R133 S134 A135	E39-Q137 PolarHBondContact O-NE2 2.8Å; L61-Q137 HydrophobicContact CB-CG 4.11Å; R62-Q137 HydrophobicContact CG-CB 3.93Å; R62-Q137 HydrophobicContact CG-CG 4.39Å; R133-Q137 WeakPolarHBondContact O-CG 3.19Å; R133-Q137 PolarHBondContact O-N 3.32Å; S134-Q137 WeakPolarHBondContact O-CB 3.3Å; S134-Q137 PolarHBondContact O-N 3.42Å; A135-Q137 VanDerWaalsContact C-N 3.3Å; A135-Q137 PolarHBondContact O-N 2.91Å
138	Q	71.4	Confident	75.6	Confident	20 Å²	20	79 Å²	79	9%	0.093	38%	0.384	C	S	.	.	H	α-helix	trans	-72.4	-36.1	173.4	-67.9	170.3	-15.2	0	0	112.2	S134 A135 R136 L284	S134-Q138 PolarHBondContact O-N 3.45Å; A135-Q138 VanDerWaalsContact O-CB 3.27Å; A135-Q138 WeakPolarHBondContact O-CB 3.41Å; A135-Q138 PolarHBondContact O-N 3.49Å; R136-Q138 PolarHBondContact O-N 3.15Å; Q138-L284 HydrophobicContact CB-CD2 4.38Å
139	R	64.9	Low	75.3	Confident	157 Å²	157	73.7 Å²	73.7	59%	0.592	37%	0.365	S	S	*	.	H	α-helix	trans	-85.8	-13.7	-171.7	-61.7	-177.7	-176	-179.5	-0.2	114.2	R136	R136-R139 PolarHBondContact O-N 3.38Å
140	L	59.1	Low	74.8	Confident	101 Å²	101	76 Å²	76	53%	0.529	38%	0.378	S	S	.	.			trans	-98.2	32.6	-171.4	-74.3	162.9	0	0	0	113.6	R136	R136-L140 WeakPolarHBondContact O-CD1 3.43Å
141	R	53.5	Low	74	Confident	113 Å²	113	80.8 Å²	80.8	43%	0.426	40%	0.4	S	S	.	.	S	Bend	trans	-90.1	110.7	171.5	-149.9	-179.5	-176.9	-179.1	-0.7	107.9	D143 V144 L146 G541	R141-D143 PolarHBondContact O-N 3.02Å; R141-V144 PolarHBondContact O-N 2.88Å; R141-L146 HydrophobicContact CB-CD1 3.88Å; R141-G541 PolarHBondContact NH1-O 3.05Å
142	D	48	Very low	73.4	Confident	140 Å²	140	80.2 Å²	80.2	75%	0.749	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	35.3	172	-51.3	-33.5	0	0	0	116.4	V144	D142-V144 PolarHBondContact O-N 2.82Å
143	D	44.8	Very low	73.4	Confident	159 Å²	159	76.1 Å²	76.1	85%	0.85	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	15.6	179.4	-69.3	-29.5	0	0	0	115.7	R141	R141-D143 PolarHBondContact O-N 3.02Å
144	V	51.1	Low	73.5	Confident	94 Å²	94	80 Å²	80	57%	0.57	41%	0.406	S	S	*	.			trans	-101.5	126	175.7	-179.1	0	0	0	0	110.3	R141 D142 L146	R141-V144 PolarHBondContact O-N 2.88Å; D142-V144 PolarHBondContact O-N 2.82Å; V144-L146 PolarHBondContact O-N 3.1Å
145	L	54.2	Low	73.8	Confident	157 Å²	157	79.7 Å²	79.7	82%	0.822	40%	0.404	S	S	*	.			trans	-62.6	100.1	168.6	-89.2	155	0	0	0	109.6
146	L	63.8	Low	74.4	Confident	49 Å²	49	78.3 Å²	78.3	26%	0.257	39%	0.391	S	S	.	.			trans	-70.6	134.1	173.5	-76.4	145.4	0	0	0	110.6	R141 V144 S148 L284	R141-L146 HydrophobicContact CB-CD1 3.88Å; V144-L146 PolarHBondContact O-N 3.1Å; L146-S148 PolarHBondContact O-N 2.84Å; L146-L284 HydrophobicContact CB-CD2 3.95Å; L146-L284 HydrophobicContact CD1-CD1 4.13Å; L146-L284 HydrophobicContact CD1-CD2 4.38Å
147	N	79.3	Confident	75	Confident	87 Å²	87	72.6 Å²	72.6	47%	0.465	37%	0.37	S	S	.	.			trans	-61.8	128.8	166.2	-72.9	-29.6	0	0	0	108.2	V285	N147-V285 HydrophobicContact CB-CB 4.24Å; N147-V285 PolarHBondContact O-N 2.86Å
148	S	84.9	Confident	75.7	Confident	53 Å²	53	72 Å²	72	37%	0.371	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-137.9	150	-177.7	51.5	0	0	0	0	110.9	L146 G283	L146-S148 PolarHBondContact O-N 2.84Å; S148-G283 CarbonylContact C-O 3.57Å; S148-G283 VanDerWaalsContact CA-O 3.25Å; S148-G283 WeakPolarHBondContact CA-O 3.07Å
149	L	88.6	Confident	77	Confident	9 Å²	9	71.1 Å²	71.1	5%	0.047	36%	0.363	C	S	.	.			trans	-63	147.6	169.8	-65.1	-176	0	0	0	110.4	C153 D211 A212 P242 G283 V285 I539	L149-C153 HydrophobicContact CB-CB 4.31Å; L149-D211 HydrophobicContact CD2-CB 4.47Å; L149-D211 WeakPolarHBondContact CD2-O 3.35Å; L149-A212 HydrophobicContact CD1-CB 4.07Å; L149-A212 HydrophobicContact CD2-CB 4.18Å; L149-P242 HydrophobicContact CD2-CB 4.07Å; L149-P242 HydrophobicContact CD2-CG 3.94Å; L149-G283 PolarHBondContact N-O 3.03Å; L149-V285 HydrophobicContact CD2-CG2 4.07Å; L149-V285 HydrophobicContact CG-CG2 4.19Å; L149-I539 HydrophobicContact CD1-CD1 3.69Å; L149-I539 HydrophobicContact CD1-CG1 4.4Å
150	P	85.9	Confident	78.4	Confident	63 Å²	63	65.3 Å²	65.3	41%	0.409	34%	0.344	S	S	.	.			trans	-58.9	159.7	172.5	26.9	-34.1	0	0	0	111	P152 C153 D211	P150-P152 CarbonylContact O-C 3.5Å; P150-C153 HydrophobicContact CG-CB 4.27Å; P150-C153 VanDerWaalsContact O-CB 3.25Å; P150-C153 WeakPolarHBondContact O-CB 3.35Å; P150-C153 PolarHBondContact O-N 2.86Å; P150-D211 HydrophobicContact CG-CB 3.99Å; P150-D211 VanDerWaalsContact CG-CG 3.45Å; P150-D211 WeakPolarHBondContact CG-OD1 3.5Å
151	H	78.2	Confident	80	Confident	100 Å²	100	62.1 Å²	62.1	46%	0.463	33%	0.329	S	S	.	.	S	Bend	trans	-129.2	117.6	172.7	-92.6	67.9	0	0	0	109.2
152	P	82.3	Confident	81.7	Confident	93 Å²	93	63.4 Å²	63.4	60%	0.604	34%	0.34	S	S	*	.	S	Bend	cis	-68.8	154.2	-1.7	31.4	-35.4	0	0	0	112.5	P150	P150-P152 CarbonylContact O-C 3.5Å
153	C	90.9	Very high	83.6	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.027	31%	0.305	C	S	.	.			trans	-112.3	155.7	170.6	60.4	0	0	0	0	111.9	L149 P150 I186 D211	L149-C153 HydrophobicContact CB-CB 4.31Å; P150-C153 HydrophobicContact CG-CB 4.27Å; P150-C153 VanDerWaalsContact O-CB 3.25Å; P150-C153 WeakPolarHBondContact O-CB 3.35Å; P150-C153 PolarHBondContact O-N 2.86Å; C153-I186 PolarHBondContact O-N 2.93Å; C153-D211 VanDerWaalsContact CA-OD2 3.32Å; C153-D211 WeakPolarHBondContact CA-OD2 3.37Å; C153-D211 HydrophobicContact CB-CB 4.14Å
154	R	96.5	Very high	85.4	Confident	107 Å²	107	49.8 Å²	49.8	40%	0.404	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.5	174.2	-61.5	176.3	-64	170.5	7.2	109.2	I186 Q209 W210 D211	R154-I186 CarbonylContact C-O 3.54Å; R154-I186 VanDerWaalsContact CA-O 3.26Å; R154-I186 WeakPolarHBondContact CA-O 3.36Å; R154-I186 HydrophobicContact CG-CB 4.12Å; R154-I186 HydrophobicContact CG-CD1 4.29Å; R154-I186 HydrophobicContact CG-CG2 4.23Å; R154-Q209 PolarHBondContact NE-O 3.36Å; R154-Q209 PolarHBondContact NH2-O 2.86Å; R154-W210 HydrophobicContact CB-CE3 4.23Å; R154-D211 PolarHBondContact N-OD2 3.06Å; R154-D211 PolarHBondContact O-N 3.41Å
155	I	97.7	Very high	87.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.5	179.5	66.2	170.6	0	0	0	112	L157 L180 V185 I186 H187 K188 W210 A212 V214 L280	I155-L157 HydrophobicContact CD1-CD1 4.34Å; I155-L180 HydrophobicContact CD1-CD1 4.12Å; I155-L180 HydrophobicContact CD1-CD2 4.19Å; I155-V185 HydrophobicContact CD1-CG1 3.73Å; I155-V185 HydrophobicContact CG1-CG1 3.83Å; I155-V185 HydrophobicContact CG2-CG1 4.18Å; I155-I186 PolarHBondContact N-O 2.97Å; I155-H187 HydrophobicContact CD1-CB 3.93Å; I155-H187 HydrophobicContact CG1-CB 3.42Å; I155-H187 VanDerWaalsContact CG1-CB 3.42Å; I155-H187 VanDerWaalsContact O-CA 3.27Å; I155-H187 WeakPolarHBondContact O-CA 3.17Å; I155-K188 PolarHBondContact O-N 2.84Å; I155-W210 WeakPolarHBondContact O-CZ3 3.41Å; I155-A212 WeakPolarHBondContact CA-O 3.28Å; I155-A212 HydrophobicContact CG2-CB 3.97Å; I155-V214 HydrophobicContact CB-CG2 4.06Å; I155-V214 HydrophobicContact CD1-CB 4.27Å; I155-V214 HydrophobicContact CD1-CG2 3.67Å; I155-V214 HydrophobicContact CG1-CG2 4.38Å; I155-V214 HydrophobicContact CG2-CG2 4.33Å; I155-L280 HydrophobicContact CD1-CD2 4.35Å
156	L	98.4	Very high	88.9	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116	167.8	-173.6	63.2	0	0	0	108.5	F158 K188 I190 V205 W210 A212 L213 V214	L156-F158 HydrophobicContact CD2-CE2 3.8Å; L156-F158 HydrophobicContact CD2-CZ 3.63Å; L156-F158 HydrophobicContact CG-CE2 3.9Å; L156-F158 HydrophobicContact CG-CZ 4.06Å; L156-K188 HydrophobicContact CD1-CB 4.01Å; L156-K188 HydrophobicContact CD1-CD 4.03Å; L156-K188 HydrophobicContact CD1-CG 4.11Å; L156-I190 HydrophobicContact CD1-CD1 4.31Å; L156-I190 HydrophobicContact CD1-CG1 3.62Å; L156-I190 HydrophobicContact CG-CG1 4.32Å; L156-V205 HydrophobicContact CD2-CG2 3.91Å; L156-W210 HydrophobicContact CB-CD2 3.7Å; L156-W210 HydrophobicContact CB-CE3 4.01Å; L156-W210 HydrophobicContact CB-CG 3.92Å; L156-W210 HydrophobicContact CD1-CH2 4.27Å; L156-W210 HydrophobicContact CD1-CZ2 3.95Å; L156-A212 PolarHBondContact N-O 2.88Å; L156-A212 VanDerWaalsContact N-O 3.09Å; L156-L213 HydrophobicContact CB-CD2 3.82Å; L156-L213 HydrophobicContact CD2-CD2 4.1Å; L156-L213 HydrophobicContact CG-CD2 4.47Å; L156-L213 CarbonylContact O-C 3.51Å; L156-L213 WeakPolarHBondContact O-CA 3.24Å; L156-V214 PolarHBondContact O-N 2.79Å
157	L	98.5	Very high	90.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.3	-172.7	-162.4	157.6	0	0	0	110.5	I155 V159 Y172 I176 L180 K188 L189 I190 V214 M216 L246	I155-L157 HydrophobicContact CD1-CD1 4.34Å; L157-V159 HydrophobicContact CD2-CG2 3.54Å; L157-Y172 HydrophobicContact CD1-CD2 4.37Å; L157-Y172 HydrophobicContact CD1-CE2 4.02Å; L157-Y172 HydrophobicContact CD2-CD2 4.35Å; L157-Y172 HydrophobicContact CD2-CE2 4.38Å; L157-I176 HydrophobicContact CD1-CG2 4.48Å; L157-L180 HydrophobicContact CD1-CD1 3.99Å; L157-K188 PolarHBondContact N-O 2.83Å; L157-L189 HydrophobicContact CD2-CD1 3.56Å; L157-L189 CarbonylContact O-C 3.52Å; L157-L189 WeakPolarHBondContact O-CA 3.18Å; L157-I190 PolarHBondContact O-N 2.95Å; L157-V214 CarbonylContact C-O 3.5Å; L157-V214 VanDerWaalsContact CA-O 3.27Å; L157-V214 WeakPolarHBondContact CA-O 3.31Å; L157-V214 HydrophobicContact CB-CB 4.32Å; L157-V214 HydrophobicContact CD1-CB 4.28Å; L157-V214 HydrophobicContact CD1-CG1 3.94Å; L157-V214 HydrophobicContact CG-CB 3.94Å; L157-V214 HydrophobicContact CG-CG1 3.88Å; L157-M216 HydrophobicContact CD2-CB 4.04Å; L157-L246 HydrophobicContact CD1-CD1 4.21Å
158	F	98.4	Very high	90.9	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.7	174.6	-63.2	-91.1	0	0	0	110.7	L156 I190 T192 A198 L201 V202 L213 V214 M216 L221	L156-F158 HydrophobicContact CD2-CE2 3.8Å; L156-F158 HydrophobicContact CD2-CZ 3.63Å; L156-F158 HydrophobicContact CG-CE2 3.9Å; L156-F158 HydrophobicContact CG-CZ 4.06Å; F158-I190 CarbonylContact C-O 3.42Å; F158-I190 WeakPolarHBondContact CA-O 3.24Å; F158-I190 HydrophobicContact CD1-CB 3.93Å; F158-I190 HydrophobicContact CD1-CG2 3.83Å; F158-I190 HydrophobicContact CE1-CB 4.17Å; F158-I190 HydrophobicContact CE1-CG1 4.44Å; F158-I190 HydrophobicContact CE1-CG2 3.96Å; F158-T192 HydrophobicContact CB-CG2 4.41Å; F158-T192 HydrophobicContact CD1-CG2 4.07Å; F158-A198 HydrophobicContact CD1-CB 4.3Å; F158-L201 HydrophobicContact CE1-CB 4.22Å; F158-L201 HydrophobicContact CE1-CD1 4.03Å; F158-V202 HydrophobicContact CE1-CG2 4.32Å; F158-V202 HydrophobicContact CE2-CG2 3.93Å; F158-V202 HydrophobicContact CZ-CG2 3.56Å; F158-L213 HydrophobicContact CE2-CD2 4.41Å; F158-V214 PolarHBondContact N-O 2.99Å; F158-M216 PolarHBondContact O-N 2.85Å; F158-L221 HydrophobicContact CB-CD2 4.21Å
159	V	97.6	Very high	91.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.2	171.9	165.7	0	0	0	0	109.4	L157 A168 L169 L189 I190 I191 T192 M216	L157-V159 HydrophobicContact CD2-CG2 3.54Å; V159-A168 HydrophobicContact CG1-CB 4.2Å; V159-L169 HydrophobicContact CG1-CB 4.31Å; V159-L169 HydrophobicContact CG1-CD1 4.42Å; V159-L189 HydrophobicContact CB-CD1 4.07Å; V159-L189 HydrophobicContact CG2-CD1 3.6Å; V159-I190 PolarHBondContact N-O 2.78Å; V159-I191 WeakPolarHBondContact O-CA 3.5Å; V159-T192 PolarHBondContact O-N 2.77Å; V159-T192 PolarHBondContact O-OG1 2.81Å; V159-M216 HydrophobicContact CG2-CB 3.73Å; V159-M216 HydrophobicContact CG2-CG 4.11Å; V159-M216 HydrophobicContact CG2-SD 4.23Å
160	N	94.3	Very high	91.6	Very high	36 Å²	36	48.3 Å²	48.3	19%	0.193	26%	0.258	C	S	.	.			trans	-94.1	111.7	161.4	178	-5	0	0	0	109.2	Q162 S163 A168 T192 L221	N160-Q162 PolarHBondContact O-N 3.12Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.35Å; N160-Q162 PolarHBondContact OD1-N 3.09Å; N160-S163 WeakPolarHBondContact CB-OG 3.26Å; N160-S163 PolarHBondContact ND2-OG 3.17Å; N160-S163 VanDerWaalsContact O-CB 3.32Å; N160-S163 WeakPolarHBondContact O-CB 3.31Å; N160-S163 PolarHBondContact O-N 2.83Å; N160-S163 VanDerWaalsContact O-N 3.09Å; N160-A168 WeakPolarHBondContact O-CB 3.12Å; N160-T192 VanDerWaalsContact CA-OG1 3.29Å; N160-T192 WeakPolarHBondContact CA-OG1 3.35Å; N160-T192 WeakPolarHBondContact CB-OG1 3.29Å; N160-L221 HydrophobicContact CB-CD2 4.08Å
161	P	92.4	Very high	92.1	Very high	34 Å²	34	46.5 Å²	46.5	22%	0.221	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.6	-176.8	28	-33.1	0	0	0	112.5	S163 G166 I191 T192	P161-S163 VanDerWaalsContact C-N 3.33Å; P161-G166 CarbonylContact O-C 3.56Å; P161-G166 VanDerWaalsContact O-CA 3.28Å; P161-G166 WeakPolarHBondContact O-CA 3.47Å; P161-I191 HydrophobicContact CG-CG2 3.82Å; P161-T192 VanDerWaalsContact CD-O 3.31Å; P161-T192 WeakPolarHBondContact CD-O 3.44Å
162	Q	90.5	Very high	92.9	Very high	139 Å²	139	42.1 Å²	42.1	65%	0.65	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	2.4	178.1	-57.1	-58.8	-28.5	0	0	113.2	N160	N160-Q162 PolarHBondContact O-N 3.12Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.35Å; N160-Q162 PolarHBondContact OD1-N 3.09Å
163	S	87.8	Confident	93.6	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	22%	0.217	C	C	.	.	S	Bend	trans	-66.8	143.8	177.2	-77.8	0	0	0	0	112.3	N160 P161 K165 G166 S217 G248	N160-S163 WeakPolarHBondContact CB-OG 3.26Å; N160-S163 PolarHBondContact ND2-OG 3.17Å; N160-S163 VanDerWaalsContact O-CB 3.32Å; N160-S163 WeakPolarHBondContact O-CB 3.31Å; N160-S163 PolarHBondContact O-N 2.83Å; N160-S163 VanDerWaalsContact O-N 3.09Å; P161-S163 VanDerWaalsContact C-N 3.33Å; S163-K165 PolarHBondContact O-N 3.16Å; S163-G166 PolarHBondContact O-N 2.94Å; S163-S217 PolarHBondContact OG-OG 2.81Å; S163-G248 CarbonylContact C-O 3.58Å; S163-G248 VanDerWaalsContact C-O 3.28Å; S163-G248 WeakPolarHBondContact CB-O 3.31Å
164	G	82.3	Confident	93.7	Very high	10 Å²	10	44.5 Å²	44.5	10%	0.103	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-121.8	-179.3	0	0	0	0	0	111.6	G166 G248	G164-G166 VanDerWaalsContact C-N 3.29Å; G164-G248 PolarHBondContact N-O 3.35Å
165	K	88.2	Confident	93.5	Very high	131 Å²	131	41.9 Å²	41.9	57%	0.57	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	21.5	176.6	-62.1	-178.2	178.4	177.7	0	112.9	S163 Q167 A325	S163-K165 PolarHBondContact O-N 3.16Å; K165-Q167 HydrophobicContact CB-CG 4.41Å; K165-A325 WeakPolarHBondContact CE-O 3.41Å
166	G	90.5	Very high	93.5	Very high	36 Å²	36	41.9 Å²	41.9	37%	0.371	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	26.2	-175.5	0	0	0	0	0	113.6	P161 S163 G164	P161-G166 CarbonylContact O-C 3.56Å; P161-G166 VanDerWaalsContact O-CA 3.28Å; P161-G166 WeakPolarHBondContact O-CA 3.47Å; S163-G166 PolarHBondContact O-N 2.94Å; G164-G166 VanDerWaalsContact C-N 3.29Å
167	Q	91.2	Very high	93.4	Very high	104 Å²	104	45 Å²	45	49%	0.486	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-2.2	-172.8	-68.6	-174.7	-24.9	0	0	113.7	K165 L169 T170 L171	K165-Q167 HydrophobicContact CB-CG 4.41Å; Q167-L169 VanDerWaalsContact C-N 3.33Å; Q167-L169 PolarHBondContact O-N 3.16Å; Q167-T170 WeakPolarHBondContact O-CB 3.37Å; Q167-T170 PolarHBondContact O-N 3.19Å; Q167-L171 HydrophobicContact CB-CD1 4.37Å; Q167-L171 HydrophobicContact CB-CG 4.45Å; Q167-L171 WeakPolarHBondContact O-CB 3.26Å; Q167-L171 WeakPolarHBondContact O-CG 3.2Å; Q167-L171 PolarHBondContact O-N 3.27Å
168	A	93.3	Very high	93.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-56	-44.3	-173.6	0	0	0	0	0	112.8	V159 N160 T170 L171 Y172 M216	V159-A168 HydrophobicContact CG1-CB 4.2Å; N160-A168 WeakPolarHBondContact O-CB 3.12Å; A168-T170 PolarHBondContact O-N 2.77Å; A168-L171 PolarHBondContact O-N 2.89Å; A168-Y172 WeakPolarHBondContact O-CB 3.4Å; A168-Y172 PolarHBondContact O-N 3.26Å; A168-M216 WeakPolarHBondContact O-CE 3.44Å
169	L	94.9	Very high	93.1	Very high	52 Å²	52	50.8 Å²	50.8	27%	0.272	27%	0.265	S	S	.	.	H	α-helix	trans	-68	-36.7	178.2	-173.2	61.3	0	0	0	112.5	V159 Q167 Y172 N173 L189 I191	V159-L169 HydrophobicContact CG1-CB 4.31Å; V159-L169 HydrophobicContact CG1-CD1 4.42Å; Q167-L169 VanDerWaalsContact C-N 3.33Å; Q167-L169 PolarHBondContact O-N 3.16Å; L169-Y172 HydrophobicContact CD1-CD1 4.27Å; L169-Y172 WeakPolarHBondContact O-CB 3.39Å; L169-Y172 PolarHBondContact O-N 3.41Å; L169-N173 PolarHBondContact O-N 2.76Å; L169-N173 VanDerWaalsContact O-N 3.07Å; L169-N173 PolarHBondContact O-ND2 2.67Å; L169-N173 VanDerWaalsContact O-ND2 3.16Å; L169-L189 HydrophobicContact CD1-CD2 4.03Å; L169-I191 HydrophobicContact CD1-CD1 4.43Å; L169-I191 HydrophobicContact CD2-CD1 4.26Å
170	T	95	Very high	93.1	Very high	94 Å²	94	50.9 Å²	50.9	58%	0.577	27%	0.266	S	S	*	.	H	α-helix	trans	-63.8	-46.3	174.6	-55.7	0	0	0	0	111	Q167 A168 Y172 N173 S174	Q167-T170 WeakPolarHBondContact O-CB 3.37Å; Q167-T170 PolarHBondContact O-N 3.19Å; A168-T170 PolarHBondContact O-N 2.77Å; T170-Y172 VanDerWaalsContact C-N 3.28Å; T170-Y172 PolarHBondContact O-N 3.33Å; T170-N173 PolarHBondContact O-N 2.92Å; T170-S174 WeakPolarHBondContact O-CB 3.2Å; T170-S174 PolarHBondContact O-N 2.64Å; T170-S174 PolarHBondContact O-OG 2.97Å; T170-S174 VanDerWaalsContact O-OG 3.1Å
171	L	94.8	Very high	93.1	Very high	25 Å²	25	53.8 Å²	53.8	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-37.1	177	-74.1	172.4	0	0	0	112.2	Q167 A168 S174 H175 M216 E270 L273	Q167-L171 HydrophobicContact CB-CD1 4.37Å; Q167-L171 HydrophobicContact CB-CG 4.45Å; Q167-L171 WeakPolarHBondContact O-CB 3.26Å; Q167-L171 WeakPolarHBondContact O-CG 3.2Å; Q167-L171 PolarHBondContact O-N 3.27Å; A168-L171 PolarHBondContact O-N 2.89Å; L171-S174 WeakPolarHBondContact CA-OG 3.05Å; L171-S174 PolarHBondContact O-OG 2.84Å; L171-H175 PolarHBondContact O-N 2.92Å; L171-M216 HydrophobicContact CB-CE 3.61Å; L171-E270 HydrophobicContact CD2-CG 3.81Å; L171-L273 HydrophobicContact CB-CD2 3.72Å; L171-L273 HydrophobicContact CD1-CD2 4.24Å; L171-L273 HydrophobicContact CD2-CD2 4.06Å; L171-L273 HydrophobicContact CG-CD2 4.23Å
172	Y	96.4	Very high	93.2	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.027	28%	0.275	C	S	.	.	I	π-helix	trans	-59.7	-53.8	173	167.8	-97.7	0	0	0	110.5	L157 A168 L169 T170 S174 I176 Q177 H187 L189 M216	L157-Y172 HydrophobicContact CD1-CD2 4.37Å; L157-Y172 HydrophobicContact CD1-CE2 4.02Å; L157-Y172 HydrophobicContact CD2-CD2 4.35Å; L157-Y172 HydrophobicContact CD2-CE2 4.38Å; A168-Y172 WeakPolarHBondContact O-CB 3.4Å; A168-Y172 PolarHBondContact O-N 3.26Å; L169-Y172 HydrophobicContact CD1-CD1 4.27Å; L169-Y172 WeakPolarHBondContact O-CB 3.39Å; L169-Y172 PolarHBondContact O-N 3.41Å; T170-Y172 VanDerWaalsContact C-N 3.28Å; T170-Y172 PolarHBondContact O-N 3.33Å; Y172-S174 VanDerWaalsContact C-N 3.34Å; Y172-S174 PolarHBondContact O-N 2.63Å; Y172-I176 HydrophobicContact CD2-CB 4.07Å; Y172-I176 HydrophobicContact CD2-CG2 3.99Å; Y172-I176 HydrophobicContact CE2-CG2 4.29Å; Y172-I176 PolarHBondContact O-N 3.17Å; Y172-Q177 HydrophobicContact CD1-CB 4.43Å; Y172-Q177 HydrophobicContact CE1-CB 3.96Å; Y172-Q177 HydrophobicContact CE1-CG 4.19Å; Y172-Q177 HydrophobicContact CE2-CB 4.29Å; Y172-Q177 WeakPolarHBondContact O-CB 3.44Å; Y172-Q177 PolarHBondContact O-N 3.4Å; Y172-H187 PolarHBondContact OH-CD2 3.09Å; Y172-H187 PolarHBondContact OH-NE2 3.26Å; Y172-L189 HydrophobicContact CD1-CD2 4.18Å; Y172-L189 HydrophobicContact CD2-CD1 4.5Å; Y172-L189 HydrophobicContact CE1-CD1 4.44Å; Y172-L189 HydrophobicContact CE1-CD2 3.76Å; Y172-L189 HydrophobicContact CE2-CD1 4.24Å; Y172-M216 HydrophobicContact CD2-SD 4.24Å; Y172-M216 HydrophobicContact CG-SD 4.44Å
173	N	95.5	Very high	93.3	Very high	85 Å²	85	47.1 Å²	47.1	46%	0.455	25%	0.249	S	C	.	.	I	π-helix	trans	-63.6	-37.3	-178.1	-69.4	-33.8	0	0	0	112.3	L169 T170	L169-N173 PolarHBondContact O-N 2.76Å; L169-N173 VanDerWaalsContact O-N 3.07Å; L169-N173 PolarHBondContact O-ND2 2.67Å; L169-N173 VanDerWaalsContact O-ND2 3.16Å; T170-N173 PolarHBondContact O-N 2.92Å
174	S	92.9	Very high	93.6	Very high	62 Å²	62	48.9 Å²	48.9	43%	0.434	27%	0.268	S	S	.	.	I	π-helix	trans	-81.9	-35	-175.4	63.4	0	0	0	0	114.1	T170 L171 Y172	T170-S174 WeakPolarHBondContact O-CB 3.2Å; T170-S174 PolarHBondContact O-N 2.64Å; T170-S174 PolarHBondContact O-OG 2.97Å; T170-S174 VanDerWaalsContact O-OG 3.1Å; L171-S174 WeakPolarHBondContact CA-OG 3.05Å; L171-S174 PolarHBondContact O-OG 2.84Å; Y172-S174 VanDerWaalsContact C-N 3.34Å; Y172-S174 PolarHBondContact O-N 2.63Å
175	H	93.3	Very high	94.2	Very high	52 Å²	52	48.7 Å²	48.7	24%	0.241	27%	0.265	C	S	.	.	I	π-helix	trans	-116.9	-52	-173.3	-58.8	-71.5	0	0	0	113.4	L171 M179 E270 L273 V274	L171-H175 PolarHBondContact O-N 2.92Å; H175-M179 WeakPolarHBondContact O-CB 3.35Å; H175-M179 PolarHBondContact O-N 2.71Å; H175-E270 IonicContact CE1-OE2 2.74Å; H175-E270 IonicContact NE2-OE2 3.38Å; H175-L273 HydrophobicContact CB-CD2 4.47Å; H175-V274 HydrophobicContact CB-CG2 4.44Å
176	I	96.8	Very high	94.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.261	C	S	.	.	I	π-helix	trans	-80.7	-48.5	-165.1	-61.3	-55.9	0	0	0	112	L157 Y172 R178 M179 L180 M216 L246 L273	L157-I176 HydrophobicContact CD1-CG2 4.48Å; Y172-I176 HydrophobicContact CD2-CB 4.07Å; Y172-I176 HydrophobicContact CD2-CG2 3.99Å; Y172-I176 HydrophobicContact CE2-CG2 4.29Å; Y172-I176 PolarHBondContact O-N 3.17Å; I176-R178 VanDerWaalsContact C-N 3.27Å; I176-R178 PolarHBondContact O-N 3.22Å; I176-M179 WeakPolarHBondContact O-CB 3.37Å; I176-M179 PolarHBondContact O-N 2.73Å; I176-L180 HydrophobicContact CG2-CD1 3.74Å; I176-L180 HydrophobicContact CG2-CG 3.98Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 2.77Å; I176-M216 HydrophobicContact CG1-CE 4.34Å; I176-M216 HydrophobicContact CG1-SD 4.2Å; I176-L246 HydrophobicContact CD1-CD1 4.27Å; I176-L246 HydrophobicContact CD1-CD2 4.05Å; I176-L246 HydrophobicContact CG1-CD1 4.15Å; I176-L246 HydrophobicContact CG2-CD1 3.67Å; I176-L273 HydrophobicContact CD1-CD1 3.69Å; I176-L273 HydrophobicContact CD1-CG 3.91Å; I176-L273 HydrophobicContact CG1-CD1 3.85Å; I176-L273 HydrophobicContact CG1-CD2 4.37Å; I176-L273 HydrophobicContact CG1-CG 4.2Å
177	Q	96.7	Very high	94.8	Very high	72 Å²	72	47.2 Å²	47.2	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-54.8	-46.1	-177	-172.9	-176.6	17.3	0	0	111.4	Y172 L180 N181	Y172-Q177 HydrophobicContact CD1-CB 4.43Å; Y172-Q177 HydrophobicContact CE1-CB 3.96Å; Y172-Q177 HydrophobicContact CE1-CG 4.19Å; Y172-Q177 HydrophobicContact CE2-CB 4.29Å; Y172-Q177 WeakPolarHBondContact O-CB 3.44Å; Y172-Q177 PolarHBondContact O-N 3.4Å; Q177-L180 PolarHBondContact O-N 2.95Å; Q177-N181 PolarHBondContact O-N 2.85Å; Q177-N181 PolarHBondContact O-ND2 3.26Å
178	R	95	Very high	95.1	Very high	120 Å²	120	47.6 Å²	47.6	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-61.5	-46.3	176.4	-179	178.8	-177.5	161.8	10.7	112.1	R103 E105 I176 N181 E182	R103-R178 VanDerWaalsContact CZ-CZ 3.41Å; E105-R178 IonicContact OE2-NH2 3.75Å; I176-R178 VanDerWaalsContact C-N 3.27Å; I176-R178 PolarHBondContact O-N 3.22Å; R178-N181 PolarHBondContact O-N 2.87Å; R178-E182 HydrophobicContact CG-CG 4.41Å; R178-E182 WeakPolarHBondContact CG-OE1 3.43Å; R178-E182 IonicContact CZ-OE1 3.74Å; R178-E182 IonicContact NE-OE1 3.8Å; R178-E182 PolarHBondContact NE-OE1 2.94Å; R178-E182 IonicContact NH2-OE1 2.68Å; R178-E182 WeakPolarHBondContact O-CB 3.43Å; R178-E182 VanDerWaalsContact O-CG 3.31Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 2.84Å
179	M	96.7	Very high	95.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-43.4	-178.5	-172	-168.9	-69.8	0	0	111.6	Y87 H175 I176 N181 E182 A183 V274 G277 F278	Y87-M179 HydrophobicContact CD1-CE 3.98Å; Y87-M179 HydrophobicContact CE1-CE 3.36Å; Y87-M179 HydrophobicContact CE2-CE 4.42Å; Y87-M179 HydrophobicContact CE2-CG 4.02Å; Y87-M179 WeakPolarHBondContact OH-CG 3.34Å; H175-M179 WeakPolarHBondContact O-CB 3.35Å; H175-M179 PolarHBondContact O-N 2.71Å; I176-M179 WeakPolarHBondContact O-CB 3.37Å; I176-M179 PolarHBondContact O-N 2.73Å; M179-N181 PolarHBondContact O-N 2.82Å; M179-E182 PolarHBondContact O-N 2.86Å; M179-A183 WeakPolarHBondContact O-CB 3.46Å; M179-A183 PolarHBondContact O-N 3.3Å; M179-V274 HydrophobicContact CE-CB 4.49Å; M179-V274 HydrophobicContact CE-CG1 3.91Å; M179-V274 WeakPolarHBondContact CE-O 3.42Å; M179-G277 VanDerWaalsContact SD-O 3.35Å; M179-F278 PolarHBondContact SD-N 3.22Å; M179-F278 VanDerWaalsContact SD-N 3.39Å
180	L	96.4	Very high	95.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-44.4	175.5	-66.3	178.5	0	0	0	111.5	I155 L157 I176 Q177 E182 A183 G184 V185 H187 L280	I155-L180 HydrophobicContact CD1-CD1 4.12Å; I155-L180 HydrophobicContact CD1-CD2 4.19Å; L157-L180 HydrophobicContact CD1-CD1 3.99Å; I176-L180 HydrophobicContact CG2-CD1 3.74Å; I176-L180 HydrophobicContact CG2-CG 3.98Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 2.77Å; Q177-L180 PolarHBondContact O-N 2.95Å; L180-E182 VanDerWaalsContact C-N 3.35Å; L180-E182 PolarHBondContact O-N 3.33Å; L180-A183 CarbonylContact O-C 3.52Å; L180-A183 PolarHBondContact O-N 2.85Å; L180-G184 PolarHBondContact O-N 3.45Å; L180-V185 HydrophobicContact CB-CB 4.21Å; L180-V185 HydrophobicContact CD2-CB 3.99Å; L180-V185 HydrophobicContact CD2-CG1 3.97Å; L180-V185 HydrophobicContact CD2-CG2 4.31Å; L180-V185 PolarHBondContact O-N 2.86Å; L180-H187 HydrophobicContact CD1-CB 4.38Å; L180-L280 HydrophobicContact CD2-CD2 3.88Å; L180-L280 HydrophobicContact CD2-CG 4.32Å
181	N	94.7	Very high	95.6	Very high	97 Å²	97	48.6 Å²	48.6	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-41.6	176.2	-68.9	-17.8	0	0	0	112.1	Q177 R178 M179 A183 G184	Q177-N181 PolarHBondContact O-N 2.85Å; Q177-N181 PolarHBondContact O-ND2 3.26Å; R178-N181 PolarHBondContact O-N 2.87Å; M179-N181 PolarHBondContact O-N 2.82Å; N181-A183 VanDerWaalsContact C-N 3.3Å; N181-A183 PolarHBondContact O-N 2.84Å; N181-G184 PolarHBondContact O-N 3.16Å; N181-G184 VanDerWaalsContact O-N 3.17Å
182	E	94.6	Very high	95.8	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-31.4	177.7	-75.5	175	-175.7	0	0	112.7	G66 Y85 R103 R178 M179 L180 G184	G66-E182 WeakPolarHBondContact CA-O 3.47Å; Y85-E182 HydrophobicContact CD1-CB 4.35Å; Y85-E182 VanDerWaalsContact CD1-CD 3.49Å; Y85-E182 HydrophobicContact CD1-CG 3.87Å; Y85-E182 WeakPolarHBondContact CD1-OE2 3.33Å; Y85-E182 HydrophobicContact CD2-CB 3.59Å; Y85-E182 HydrophobicContact CD2-CG 3.8Å; Y85-E182 HydrophobicContact CE1-CG 3.95Å; Y85-E182 HydrophobicContact CE2-CB 4.05Å; Y85-E182 HydrophobicContact CE2-CG 3.87Å; Y85-E182 HydrophobicContact CG-CB 3.77Å; Y85-E182 HydrophobicContact CG-CG 3.8Å; R103-E182 IonicContact CZ-OE1 3.61Å; R103-E182 IonicContact CZ-OE2 3.77Å; R103-E182 IonicContact NE-OE1 3.49Å; R103-E182 PolarHBondContact NE-OE1 3.28Å; R103-E182 IonicContact NE-OE2 3.64Å; R103-E182 PolarHBondContact NE-OE2 3.09Å; R103-E182 IonicContact NH2-OE1 3.96Å; R103-E182 PolarHBondContact NH2-OE1 2.79Å; R103-E182 IonicContact NH2-OE2 3.92Å; R103-E182 PolarHBondContact NH2-OE2 2.8Å; R178-E182 HydrophobicContact CG-CG 4.41Å; R178-E182 WeakPolarHBondContact CG-OE1 3.43Å; R178-E182 IonicContact CZ-OE1 3.74Å; R178-E182 IonicContact NE-OE1 3.8Å; R178-E182 PolarHBondContact NE-OE1 2.94Å; R178-E182 IonicContact NH2-OE1 2.68Å; R178-E182 WeakPolarHBondContact O-CB 3.43Å; R178-E182 VanDerWaalsContact O-CG 3.31Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 2.84Å; M179-E182 PolarHBondContact O-N 2.86Å; L180-E182 VanDerWaalsContact C-N 3.35Å; L180-E182 PolarHBondContact O-N 3.33Å; E182-G184 VanDerWaalsContact C-N 3.33Å
183	A	93.4	Very high	95.7	Very high	12 Å²	12	55 Å²	55	10%	0.099	28%	0.282	C	S	.	.	H	α-helix	trans	-81.7	-9.6	173.8	0	0	0	0	0	113.6	V65 M179 L180 N181 V185 C281	V65-A183 HydrophobicContact CB-CB 4.28Å; V65-A183 WeakPolarHBondContact O-CA 3.2Å; M179-A183 WeakPolarHBondContact O-CB 3.46Å; M179-A183 PolarHBondContact O-N 3.3Å; L180-A183 CarbonylContact O-C 3.52Å; L180-A183 PolarHBondContact O-N 2.85Å; N181-A183 VanDerWaalsContact C-N 3.3Å; N181-A183 PolarHBondContact O-N 2.84Å; A183-V185 VanDerWaalsContact C-N 3.32Å; A183-V185 HydrophobicContact CB-CG2 3.93Å; A183-C281 HydrophobicContact CB-CB 3.78Å
184	G	92.6	Very high	95.7	Very high	42 Å²	42	56.7 Å²	56.7	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	26.6	-175.3	0	0	0	0	0	113.5	L180 N181 E182	L180-G184 PolarHBondContact O-N 3.45Å; N181-G184 PolarHBondContact O-N 3.16Å; N181-G184 VanDerWaalsContact O-N 3.17Å; E182-G184 VanDerWaalsContact C-N 3.33Å
185	V	94.6	Very high	95.6	Very high	6 Å²	6	60 Å²	60	4%	0.036	29%	0.291	C	S	.	.			trans	-83.9	114.4	176.8	177.6	0	0	0	0	109.6	I155 L180 A183 H187	I155-V185 HydrophobicContact CD1-CG1 3.73Å; I155-V185 HydrophobicContact CG1-CG1 3.83Å; I155-V185 HydrophobicContact CG2-CG1 4.18Å; L180-V185 HydrophobicContact CB-CB 4.21Å; L180-V185 HydrophobicContact CD2-CB 3.99Å; L180-V185 HydrophobicContact CD2-CG1 3.97Å; L180-V185 HydrophobicContact CD2-CG2 4.31Å; L180-V185 PolarHBondContact O-N 2.86Å; A183-V185 VanDerWaalsContact C-N 3.32Å; A183-V185 HydrophobicContact CB-CG2 3.93Å; V185-H187 PolarHBondContact O-ND1 2.83Å; V185-H187 VanDerWaalsContact O-ND1 3.11Å
186	I	95.8	Very high	95.7	Very high	95 Å²	95	60.1 Å²	60.1	49%	0.487	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.4	175.8	-58.8	167.7	0	0	0	107.3	C153 R154 I155	C153-I186 PolarHBondContact O-N 2.93Å; R154-I186 CarbonylContact C-O 3.54Å; R154-I186 VanDerWaalsContact CA-O 3.26Å; R154-I186 WeakPolarHBondContact CA-O 3.36Å; R154-I186 HydrophobicContact CG-CB 4.12Å; R154-I186 HydrophobicContact CG-CD1 4.29Å; R154-I186 HydrophobicContact CG-CG2 4.23Å; I155-I186 PolarHBondContact N-O 2.97Å
187	H	96.6	Very high	95.8	Very high	41 Å²	41	61.5 Å²	61.5	19%	0.19	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.1	-176.7	60.5	-81.7	0	0	0	112.8	I155 Y172 L180 V185	I155-H187 HydrophobicContact CD1-CB 3.93Å; I155-H187 HydrophobicContact CG1-CB 3.42Å; I155-H187 VanDerWaalsContact CG1-CB 3.42Å; I155-H187 VanDerWaalsContact O-CA 3.27Å; I155-H187 WeakPolarHBondContact O-CA 3.17Å; Y172-H187 PolarHBondContact OH-CD2 3.09Å; Y172-H187 PolarHBondContact OH-NE2 3.26Å; L180-H187 HydrophobicContact CD1-CB 4.38Å; V185-H187 PolarHBondContact O-ND1 2.83Å; V185-H187 VanDerWaalsContact O-ND1 3.11Å
188	K	97.7	Very high	95.8	Very high	112 Å²	112	58.1 Å²	58.1	49%	0.487	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.5	167.6	-179.3	179.8	-178.7	-174.8	0	108.8	I155 L156 L157 I190 W210	I155-K188 PolarHBondContact O-N 2.84Å; L156-K188 HydrophobicContact CD1-CB 4.01Å; L156-K188 HydrophobicContact CD1-CD 4.03Å; L156-K188 HydrophobicContact CD1-CG 4.11Å; L157-K188 PolarHBondContact N-O 2.83Å; K188-I190 HydrophobicContact CD-CD1 4.47Å; K188-W210 HydrophobicContact CB-CH2 3.4Å; K188-W210 VanDerWaalsContact CB-CH2 3.4Å; K188-W210 HydrophobicContact CB-CZ2 4.27Å; K188-W210 HydrophobicContact CB-CZ3 3.86Å; K188-W210 HydrophobicContact CD-CH2 3.76Å; K188-W210 HydrophobicContact CD-CZ2 3.91Å; K188-W210 HydrophobicContact CG-CH2 4.22Å
189	L	98.1	Very high	95.9	Very high	53 Å²	53	54.2 Å²	54.2	28%	0.277	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.7	176.3	-177.5	69.5	0	0	0	110.5	L157 V159 L169 Y172 I191	L157-L189 HydrophobicContact CD2-CD1 3.56Å; L157-L189 CarbonylContact O-C 3.52Å; L157-L189 WeakPolarHBondContact O-CA 3.18Å; V159-L189 HydrophobicContact CB-CD1 4.07Å; V159-L189 HydrophobicContact CG2-CD1 3.6Å; L169-L189 HydrophobicContact CD1-CD2 4.03Å; Y172-L189 HydrophobicContact CD1-CD2 4.18Å; Y172-L189 HydrophobicContact CD2-CD1 4.5Å; Y172-L189 HydrophobicContact CE1-CD1 4.44Å; Y172-L189 HydrophobicContact CE1-CD2 3.76Å; Y172-L189 HydrophobicContact CE2-CD1 4.24Å; L189-I191 HydrophobicContact CD2-CG1 4.34Å; L189-I191 HydrophobicContact CG-CG1 4.42Å
190	I	98.1	Very high	95.9	Very high	38 Å²	38	58.2 Å²	58.2	20%	0.195	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.8	169.8	-60.6	-63	0	0	0	108.3	L156 L157 F158 V159 K188 L201	L156-I190 HydrophobicContact CD1-CD1 4.31Å; L156-I190 HydrophobicContact CD1-CG1 3.62Å; L156-I190 HydrophobicContact CG-CG1 4.32Å; L157-I190 PolarHBondContact O-N 2.95Å; F158-I190 CarbonylContact C-O 3.42Å; F158-I190 WeakPolarHBondContact CA-O 3.24Å; F158-I190 HydrophobicContact CD1-CB 3.93Å; F158-I190 HydrophobicContact CD1-CG2 3.83Å; F158-I190 HydrophobicContact CE1-CB 4.17Å; F158-I190 HydrophobicContact CE1-CG1 4.44Å; F158-I190 HydrophobicContact CE1-CG2 3.96Å; V159-I190 PolarHBondContact N-O 2.78Å; K188-I190 HydrophobicContact CD-CD1 4.47Å; I190-L201 HydrophobicContact CG2-CD1 3.71Å
191	I	97.9	Very high	96	Very high	77 Å²	77	61.1 Å²	61.1	40%	0.395	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118	176	-58.9	177.7	0	0	0	107.5	V159 P161 L169 L189	V159-I191 WeakPolarHBondContact O-CA 3.5Å; P161-I191 HydrophobicContact CG-CG2 3.82Å; L169-I191 HydrophobicContact CD1-CD1 4.43Å; L169-I191 HydrophobicContact CD2-CD1 4.26Å; L189-I191 HydrophobicContact CD2-CG1 4.34Å; L189-I191 HydrophobicContact CG-CG1 4.42Å
192	T	97.4	Very high	96.1	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.012	28%	0.278	C	S	.	.			trans	-84.7	139.7	178.8	62.7	0	0	0	0	110.2	F158 V159 N160 P161 A198 L221	F158-T192 HydrophobicContact CB-CG2 4.41Å; F158-T192 HydrophobicContact CD1-CG2 4.07Å; V159-T192 PolarHBondContact O-N 2.77Å; V159-T192 PolarHBondContact O-OG1 2.81Å; N160-T192 VanDerWaalsContact CA-OG1 3.29Å; N160-T192 WeakPolarHBondContact CA-OG1 3.35Å; N160-T192 WeakPolarHBondContact CB-OG1 3.29Å; P161-T192 VanDerWaalsContact CD-O 3.31Å; P161-T192 WeakPolarHBondContact CD-O 3.44Å; T192-A198 HydrophobicContact CG2-CB 4.14Å; T192-L221 HydrophobicContact CG2-CD1 4.23Å; T192-L221 HydrophobicContact CG2-CD2 4.38Å
193	E	95.3	Very high	96.2	Very high	163 Å²	163	59.4 Å²	59.4	76%	0.762	29%	0.291	S	S	*	.			trans	-108.2	-21.6	-168.1	-59	-179	162.2	0	0	114	H197	E193-H197 PolarHBondContact N-ND1 2.83Å; E193-H197 VanDerWaalsContact N-ND1 3.16Å
194	R	94.7	Very high	96.2	Very high	122 Å²	122	65.6 Å²	65.6	46%	0.46	32%	0.322	S	S	.	.	S	Bend	trans	-157.7	168.7	-173.9	59.8	173.2	176.2	65.1	1.3	111	H197 E200	R194-H197 HydrophobicContact CG-CB 3.88Å; R194-H197 VanDerWaalsContact O-CB 3.24Å; R194-H197 WeakPolarHBondContact O-CB 3.41Å; R194-H197 PolarHBondContact O-N 3.11Å; R194-E200 IonicContact CZ-OE1 3.51Å; R194-E200 IonicContact CZ-OE2 3.77Å; R194-E200 IonicContact NH1-OE1 3.11Å; R194-E200 PolarHBondContact NH1-OE1 2.77Å; R194-E200 IonicContact NH1-OE2 2.88Å; R194-E200 VanDerWaalsContact NH2-CD 3.34Å; R194-E200 IonicContact NH2-OE1 2.81Å; R194-E200 PolarHBondContact NH2-OE1 2.81Å; R194-E200 IonicContact NH2-OE2 2.79Å; R194-E200 PolarHBondContact NH2-OE2 3.33Å
195	Q	92.1	Very high	96.3	Very high	132 Å²	132	65.1 Å²	65.1	62%	0.617	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	143	170.9	-164.7	177.7	24.6	0	0	110.8	H197	Q195-H197 PolarHBondContact O-N 3.02Å; Q195-H197 VanDerWaalsContact O-N 3.16Å
196	N	95.4	Very high	96.4	Very high	53 Å²	53	68.4 Å²	68.4	28%	0.283	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	3.9	-175.3	-64	-63.2	0	0	0	115.8	A198 R199 E200 E224	N196-A198 VanDerWaalsContact C-N 3.34Å; N196-A198 PolarHBondContact O-N 2.8Å; N196-R199 HydrophobicContact CB-CB 4.44Å; N196-R199 PolarHBondContact O-N 2.94Å; N196-R199 WeakPolarHBondContact OD1-CD 3.41Å; N196-E200 WeakPolarHBondContact O-CG 3.27Å; N196-E200 PolarHBondContact O-N 2.77Å; N196-E224 VanDerWaalsContact CA-CD 3.44Å; N196-E224 WeakPolarHBondContact CA-OE2 3.31Å; N196-E224 PolarHBondContact N-OE1 2.86Å; N196-E224 PolarHBondContact N-OE2 3.21Å; N196-E224 VanDerWaalsContact N-OE2 3.12Å
197	H	97.4	Very high	96.5	Very high	31 Å²	31	64.8 Å²	64.8	14%	0.144	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-40.8	178.1	-169.9	177.8	0	0	0	110.8	E193 R194 Q195 E200 L201 E224	E193-H197 PolarHBondContact N-ND1 2.83Å; E193-H197 VanDerWaalsContact N-ND1 3.16Å; R194-H197 HydrophobicContact CG-CB 3.88Å; R194-H197 VanDerWaalsContact O-CB 3.24Å; R194-H197 WeakPolarHBondContact O-CB 3.41Å; R194-H197 PolarHBondContact O-N 3.11Å; Q195-H197 PolarHBondContact O-N 3.02Å; Q195-H197 VanDerWaalsContact O-N 3.16Å; H197-E200 PolarHBondContact O-N 3.45Å; H197-L201 VanDerWaalsContact O-CG 3.29Å; H197-L201 WeakPolarHBondContact O-CG 3.45Å; H197-L201 PolarHBondContact O-N 3.24Å; H197-E224 PolarHBondContact N-OE2 2.81Å
198	A	97.6	Very high	96.4	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.1	-40.4	177.4	0	0	0	0	0	111.8	F158 T192 N196 E200 L201 V202 L221 E224 V225	F158-A198 HydrophobicContact CD1-CB 4.3Å; T192-A198 HydrophobicContact CG2-CB 4.14Å; N196-A198 VanDerWaalsContact C-N 3.34Å; N196-A198 PolarHBondContact O-N 2.8Å; A198-E200 VanDerWaalsContact C-N 3.34Å; A198-E200 PolarHBondContact O-N 3.07Å; A198-L201 PolarHBondContact O-N 3.26Å; A198-V202 WeakPolarHBondContact O-CB 3.48Å; A198-V202 VanDerWaalsContact O-CG2 3.27Å; A198-V202 WeakPolarHBondContact O-CG2 3.43Å; A198-V202 PolarHBondContact O-N 2.98Å; A198-L221 HydrophobicContact CB-CD1 3.58Å; A198-L221 HydrophobicContact CB-CG 4.26Å; A198-E224 HydrophobicContact CB-CB 4.27Å; A198-E224 PolarHBondContact N-OE2 2.79Å; A198-V225 HydrophobicContact CB-CG2 4Å
199	R	97.4	Very high	96.3	Very high	38 Å²	38	66.4 Å²	66.4	14%	0.143	33%	0.33	C	S	.	.	H	α-helix	trans	-55.6	-49	176	-174.7	177.9	-172	156.7	3.2	111.3	N196 K203 E224 E231	N196-R199 HydrophobicContact CB-CB 4.44Å; N196-R199 PolarHBondContact O-N 2.94Å; N196-R199 WeakPolarHBondContact OD1-CD 3.41Å; R199-K203 WeakPolarHBondContact O-CG 3.45Å; R199-K203 PolarHBondContact O-N 3.38Å; R199-E224 WeakPolarHBondContact CA-O 3.18Å; R199-E224 HydrophobicContact CB-CB 4.02Å; R199-E224 WeakPolarHBondContact CB-O 3.39Å; R199-E231 IonicContact CZ-OE1 3.05Å; R199-E231 IonicContact NE-OE1 2.71Å; R199-E231 PolarHBondContact NE-OE1 2.89Å; R199-E231 IonicContact NE-OE2 2.92Å; R199-E231 IonicContact NH2-OE1 2.99Å; R199-E231 PolarHBondContact NH2-OE1 3.27Å
200	E	97.3	Very high	96.3	Very high	86 Å²	86	65.7 Å²	65.7	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-64.1	-47.5	179	-69	166.1	-137.5	0	0	111.8	R194 N196 H197 A198 V202 K203	R194-E200 IonicContact CZ-OE1 3.51Å; R194-E200 IonicContact CZ-OE2 3.77Å; R194-E200 IonicContact NH1-OE1 3.11Å; R194-E200 PolarHBondContact NH1-OE1 2.77Å; R194-E200 IonicContact NH1-OE2 2.88Å; R194-E200 VanDerWaalsContact NH2-CD 3.34Å; R194-E200 IonicContact NH2-OE1 2.81Å; R194-E200 PolarHBondContact NH2-OE1 2.81Å; R194-E200 IonicContact NH2-OE2 2.79Å; R194-E200 PolarHBondContact NH2-OE2 3.33Å; N196-E200 WeakPolarHBondContact O-CG 3.27Å; N196-E200 PolarHBondContact O-N 2.77Å; H197-E200 PolarHBondContact O-N 3.45Å; A198-E200 VanDerWaalsContact C-N 3.34Å; A198-E200 PolarHBondContact O-N 3.07Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 2.96Å; E200-K203 WeakPolarHBondContact O-CB 3.2Å; E200-K203 PolarHBondContact O-N 2.87Å
201	L	97.2	Very high	96.2	Very high	63 Å²	63	66 Å²	66	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-40.8	179.9	-72.9	173.9	0	0	0	112.8	F158 I190 H197 A198 K203 D204 V205	F158-L201 HydrophobicContact CE1-CB 4.22Å; F158-L201 HydrophobicContact CE1-CD1 4.03Å; I190-L201 HydrophobicContact CG2-CD1 3.71Å; H197-L201 VanDerWaalsContact O-CG 3.29Å; H197-L201 WeakPolarHBondContact O-CG 3.45Å; H197-L201 PolarHBondContact O-N 3.24Å; A198-L201 PolarHBondContact O-N 3.26Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 2.69Å; L201-D204 PolarHBondContact O-N 3.47Å; L201-V205 WeakPolarHBondContact O-CB 3.39Å; L201-V205 PolarHBondContact O-N 2.92Å
202	V	97.4	Very high	96.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-71.8	-25	-177.6	172.4	0	0	0	0	112	F158 A198 E200 D204 L213 V225 L229 R232	F158-V202 HydrophobicContact CE1-CG2 4.32Å; F158-V202 HydrophobicContact CE2-CG2 3.93Å; F158-V202 HydrophobicContact CZ-CG2 3.56Å; A198-V202 WeakPolarHBondContact O-CB 3.48Å; A198-V202 VanDerWaalsContact O-CG2 3.27Å; A198-V202 WeakPolarHBondContact O-CG2 3.43Å; A198-V202 PolarHBondContact O-N 2.98Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 2.96Å; V202-D204 VanDerWaalsContact C-N 3.28Å; V202-D204 PolarHBondContact O-N 3.06Å; V202-L213 HydrophobicContact CG1-CD1 4.12Å; V202-L213 HydrophobicContact CG2-CD1 4.25Å; V202-V225 HydrophobicContact CG1-CG1 4.5Å; V202-V225 HydrophobicContact CG2-CG1 4.26Å; V202-V225 HydrophobicContact CG2-CG2 4.23Å; V202-L229 HydrophobicContact CG1-CB 4.49Å; V202-L229 HydrophobicContact CG1-CD2 3.3Å; V202-L229 HydrophobicContact CG1-CG 3.55Å; V202-R232 PolarHBondContact O-NH1 3.18Å
203	K	95.9	Very high	96.3	Very high	81 Å²	81	62.2 Å²	62.2	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-33.4	172.3	-73.6	172.8	70.2	165.6	0	112.8	R199 E200 L201 G228 E231 R232	R199-K203 WeakPolarHBondContact O-CG 3.45Å; R199-K203 PolarHBondContact O-N 3.38Å; E200-K203 WeakPolarHBondContact O-CB 3.2Å; E200-K203 PolarHBondContact O-N 2.87Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 2.69Å; K203-G228 VanDerWaalsContact CG-O 3.25Å; K203-G228 WeakPolarHBondContact CG-O 3.29Å; K203-E231 HydrophobicContact CD-CB 4.13Å; K203-E231 WeakPolarHBondContact CD-OE2 3.35Å; K203-E231 WeakPolarHBondContact CE-OE2 3.26Å; K203-E231 HydrophobicContact CG-CB 4.37Å; K203-E231 IonicContact NZ-OE2 3.23Å; K203-E231 PolarHBondContact NZ-OE2 3.04Å; K203-R232 HydrophobicContact CG-CG 4.45Å; K203-R232 PolarHBondContact O-NH1 2.91Å
204	D	94	Very high	96.4	Very high	143 Å²	143	54.4 Å²	54.4	77%	0.765	27%	0.269	S	S	*	.	H	α-helix	trans	-103.6	-13.2	-173.1	-61.5	-26.1	0	0	0	113.5	L201 V202	L201-D204 PolarHBondContact O-N 3.47Å; V202-D204 VanDerWaalsContact C-N 3.28Å; V202-D204 PolarHBondContact O-N 3.06Å
205	V	95.6	Very high	96.6	Very high	31 Å²	31	48.8 Å²	48.8	19%	0.188	25%	0.248	C	C	.	.	S	Bend	trans	-67.9	141.1	-177.9	76	0	0	0	0	111.9	L156 L201 L207 R232	L156-V205 HydrophobicContact CD2-CG2 3.91Å; L201-V205 WeakPolarHBondContact O-CB 3.39Å; L201-V205 PolarHBondContact O-N 2.92Å; V205-L207 HydrophobicContact CG1-CD2 3.53Å; V205-L207 HydrophobicContact CG1-CG 3.96Å; V205-L207 PolarHBondContact O-N 2.92Å; V205-R232 PolarHBondContact O-NH1 3.12Å
206	D	96.3	Very high	96.8	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	22%	0.219	S	C	.	.			trans	-75.8	99.3	166.7	176.7	10	0	0	0	109.6	S208 Q209	D206-S208 VanDerWaalsContact CG-OG 3.3Å; D206-S208 PolarHBondContact O-N 3.49Å; D206-S208 VanDerWaalsContact OD1-CB 3.31Å; D206-S208 WeakPolarHBondContact OD1-CB 3.27Å; D206-S208 PolarHBondContact OD1-N 2.71Å; D206-S208 VanDerWaalsContact OD1-N 3.09Å; D206-S208 PolarHBondContact OD1-OG 2.99Å; D206-S208 PolarHBondContact OD2-OG 2.79Å; D206-Q209 HydrophobicContact CB-CG 4.35Å; D206-Q209 PolarHBondContact O-N 3.18Å; D206-Q209 WeakPolarHBondContact OD2-CG 3.34Å; D206-Q209 PolarHBondContact OD2-NE2 2.66Å
207	L	96.4	Very high	96.7	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-68.3	-19.8	-178.4	-66	170.7	0	0	0	112.8	V205 Q209 W210 L213 L229 A238 T241	V205-L207 HydrophobicContact CG1-CD2 3.53Å; V205-L207 HydrophobicContact CG1-CG 3.96Å; V205-L207 PolarHBondContact O-N 2.92Å; L207-Q209 PolarHBondContact O-N 3.21Å; L207-Q209 VanDerWaalsContact O-N 3.12Å; L207-W210 PolarHBondContact O-N 3.09Å; L207-W210 VanDerWaalsContact O-O 3.06Å; L207-L213 HydrophobicContact CD2-CD1 4.06Å; L207-L213 HydrophobicContact CD2-CD2 4.05Å; L207-L213 HydrophobicContact CD2-CG 4.37Å; L207-L229 HydrophobicContact CD1-CD2 3.66Å; L207-L229 HydrophobicContact CD2-CD2 4.18Å; L207-A238 HydrophobicContact CD1-CB 3.52Å; L207-T241 HydrophobicContact CD2-CG2 4.45Å
208	S	94.9	Very high	96.4	Very high	94 Å²	94	39.5 Å²	39.5	66%	0.657	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-65.2	-17.3	179.4	76	0	0	0	0	113.5	D206 W210	D206-S208 VanDerWaalsContact CG-OG 3.3Å; D206-S208 PolarHBondContact O-N 3.49Å; D206-S208 VanDerWaalsContact OD1-CB 3.31Å; D206-S208 WeakPolarHBondContact OD1-CB 3.27Å; D206-S208 PolarHBondContact OD1-N 2.71Å; D206-S208 VanDerWaalsContact OD1-N 3.09Å; D206-S208 PolarHBondContact OD1-OG 2.99Å; D206-S208 PolarHBondContact OD2-OG 2.79Å; S208-W210 VanDerWaalsContact C-N 3.32Å
209	Q	96.1	Very high	96.2	Very high	94 Å²	94	40.2 Å²	40.2	44%	0.439	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-80.5	-13.2	177.7	-60.6	-179.4	8.7	0	0	113.2	R154 D206 L207	R154-Q209 PolarHBondContact NE-O 3.36Å; R154-Q209 PolarHBondContact NH2-O 2.86Å; D206-Q209 HydrophobicContact CB-CG 4.35Å; D206-Q209 PolarHBondContact O-N 3.18Å; D206-Q209 WeakPolarHBondContact OD2-CG 3.34Å; D206-Q209 PolarHBondContact OD2-NE2 2.66Å; L207-Q209 PolarHBondContact O-N 3.21Å; L207-Q209 VanDerWaalsContact O-N 3.12Å
210	W	97.3	Very high	96	Very high	38 Å²	38	39.1 Å²	39.1	14%	0.144	21%	0.212	C	C	.	.			trans	-127.7	134.6	-168.5	-50.7	104.9	0	0	0	111.1	R154 I155 L156 K188 L207 S208	R154-W210 HydrophobicContact CB-CE3 4.23Å; I155-W210 WeakPolarHBondContact O-CZ3 3.41Å; L156-W210 HydrophobicContact CB-CD2 3.7Å; L156-W210 HydrophobicContact CB-CE3 4.01Å; L156-W210 HydrophobicContact CB-CG 3.92Å; L156-W210 HydrophobicContact CD1-CH2 4.27Å; L156-W210 HydrophobicContact CD1-CZ2 3.95Å; K188-W210 HydrophobicContact CB-CH2 3.4Å; K188-W210 VanDerWaalsContact CB-CH2 3.4Å; K188-W210 HydrophobicContact CB-CZ2 4.27Å; K188-W210 HydrophobicContact CB-CZ3 3.86Å; K188-W210 HydrophobicContact CD-CH2 3.76Å; K188-W210 HydrophobicContact CD-CZ2 3.91Å; K188-W210 HydrophobicContact CG-CH2 4.22Å; L207-W210 PolarHBondContact O-N 3.09Å; L207-W210 VanDerWaalsContact O-O 3.06Å; S208-W210 VanDerWaalsContact C-N 3.32Å
211	D	97.1	Very high	95.9	Very high	43 Å²	43	35.3 Å²	35.3	23%	0.23	20%	0.195	C	C	.	.	S	Bend	trans	-84.2	-20.7	175.8	-56	-58.4	0	0	0	111.8	L149 P150 C153 R154 P242	L149-D211 HydrophobicContact CD2-CB 4.47Å; L149-D211 WeakPolarHBondContact CD2-O 3.35Å; P150-D211 HydrophobicContact CG-CB 3.99Å; P150-D211 VanDerWaalsContact CG-CG 3.45Å; P150-D211 WeakPolarHBondContact CG-OD1 3.5Å; C153-D211 VanDerWaalsContact CA-OD2 3.32Å; C153-D211 WeakPolarHBondContact CA-OD2 3.37Å; C153-D211 HydrophobicContact CB-CB 4.14Å; R154-D211 PolarHBondContact N-OD2 3.06Å; R154-D211 PolarHBondContact O-N 3.41Å; D211-P242 WeakPolarHBondContact O-CD 3.4Å
212	A	98.1	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	155.5	175	0	0	0	0	0	112.2	L149 I155 L156 P242 I539	L149-A212 HydrophobicContact CD1-CB 4.07Å; L149-A212 HydrophobicContact CD2-CB 4.18Å; I155-A212 WeakPolarHBondContact CA-O 3.28Å; I155-A212 HydrophobicContact CG2-CB 3.97Å; L156-A212 PolarHBondContact N-O 2.88Å; L156-A212 VanDerWaalsContact N-O 3.09Å; A212-P242 CarbonylContact C-O 3.07Å; A212-P242 VanDerWaalsContact CA-O 3.24Å; A212-P242 WeakPolarHBondContact CA-O 3.43Å; A212-P242 HydrophobicContact CB-CB 4.16Å; A212-P242 VanDerWaalsContact CB-O 3.32Å; A212-P242 WeakPolarHBondContact CB-O 3.36Å; A212-I539 HydrophobicContact CB-CD1 4.07Å
213	L	98.6	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.5	164.8	-52.8	-177.1	0	0	0	108.7	L156 F158 V202 L207 V225 L229 T241 P242 L243 G244	L156-L213 HydrophobicContact CB-CD2 3.82Å; L156-L213 HydrophobicContact CD2-CD2 4.1Å; L156-L213 HydrophobicContact CG-CD2 4.47Å; L156-L213 CarbonylContact O-C 3.51Å; L156-L213 WeakPolarHBondContact O-CA 3.24Å; F158-L213 HydrophobicContact CE2-CD2 4.41Å; V202-L213 HydrophobicContact CG1-CD1 4.12Å; V202-L213 HydrophobicContact CG2-CD1 4.25Å; L207-L213 HydrophobicContact CD2-CD1 4.06Å; L207-L213 HydrophobicContact CD2-CD2 4.05Å; L207-L213 HydrophobicContact CD2-CG 4.37Å; L213-V225 HydrophobicContact CD1-CG1 3.95Å; L213-L229 HydrophobicContact CD1-CD1 4.34Å; L213-L229 HydrophobicContact CD1-CD2 4.13Å; L213-T241 HydrophobicContact CG-CG2 3.89Å; L213-P242 PolarHBondContact N-O 3.38Å; L213-L243 HydrophobicContact CB-CD2 3.9Å; L213-L243 HydrophobicContact CD1-CD2 4.3Å; L213-L243 HydrophobicContact CG-CD2 4.42Å; L213-L243 CarbonylContact O-C 3.56Å; L213-L243 VanDerWaalsContact O-CA 3.3Å; L213-L243 WeakPolarHBondContact O-CA 3.46Å; L213-G244 PolarHBondContact O-N 2.96Å
214	V	98.4	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.3	-179.9	178.8	0	0	0	0	109.8	I155 L156 L157 F158 G244 L246 L280	I155-V214 HydrophobicContact CB-CG2 4.06Å; I155-V214 HydrophobicContact CD1-CB 4.27Å; I155-V214 HydrophobicContact CD1-CG2 3.67Å; I155-V214 HydrophobicContact CG1-CG2 4.38Å; I155-V214 HydrophobicContact CG2-CG2 4.33Å; L156-V214 PolarHBondContact O-N 2.79Å; L157-V214 CarbonylContact C-O 3.5Å; L157-V214 VanDerWaalsContact CA-O 3.27Å; L157-V214 WeakPolarHBondContact CA-O 3.31Å; L157-V214 HydrophobicContact CB-CB 4.32Å; L157-V214 HydrophobicContact CD1-CB 4.28Å; L157-V214 HydrophobicContact CD1-CG1 3.94Å; L157-V214 HydrophobicContact CG-CB 3.94Å; L157-V214 HydrophobicContact CG-CG1 3.88Å; F158-V214 PolarHBondContact N-O 2.99Å; V214-G244 CarbonylContact C-O 3.54Å; V214-G244 WeakPolarHBondContact CA-O 3.32Å; V214-L246 HydrophobicContact CG1-CD1 3.68Å; V214-L246 HydrophobicContact CG1-CG 3.95Å; V214-L280 HydrophobicContact CG1-CD2 3.81Å; V214-L280 HydrophobicContact CG2-CD1 3.69Å; V214-L280 HydrophobicContact CG2-CD2 4.07Å
215	I	97.9	Very high	96.2	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.9	-176.2	-59.2	77.5	0	0	0	108	L221 L222 V225 L243 G244 L246	I215-L221 HydrophobicContact CG2-CB 3.89Å; I215-L221 HydrophobicContact CG2-CD2 3.96Å; I215-L221 HydrophobicContact CG2-CG 3.99Å; I215-L222 HydrophobicContact CD1-CD1 3.64Å; I215-L222 HydrophobicContact CG1-CD1 3.93Å; I215-L222 HydrophobicContact CG2-CB 4.34Å; I215-V225 HydrophobicContact CD1-CG1 4.32Å; I215-V225 HydrophobicContact CG1-CB 4.41Å; I215-V225 HydrophobicContact CG1-CG2 3.96Å; I215-L243 HydrophobicContact CD1-CD2 4.37Å; I215-G244 PolarHBondContact N-O 3.2Å; I215-L246 PolarHBondContact O-N 3.48Å
216	M	96.8	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	89.7	173.2	-177.3	166.9	-176.1	0	0	110.6	L157 F158 V159 A168 L171 Y172 I176 L246 L273	L157-M216 HydrophobicContact CD2-CB 4.04Å; F158-M216 PolarHBondContact O-N 2.85Å; V159-M216 HydrophobicContact CG2-CB 3.73Å; V159-M216 HydrophobicContact CG2-CG 4.11Å; V159-M216 HydrophobicContact CG2-SD 4.23Å; A168-M216 WeakPolarHBondContact O-CE 3.44Å; L171-M216 HydrophobicContact CB-CE 3.61Å; Y172-M216 HydrophobicContact CD2-SD 4.24Å; Y172-M216 HydrophobicContact CG-SD 4.44Å; I176-M216 HydrophobicContact CG1-CE 4.34Å; I176-M216 HydrophobicContact CG1-SD 4.2Å; M216-L246 VanDerWaalsContact CA-O 3.29Å; M216-L246 WeakPolarHBondContact CA-O 3.3Å; M216-L246 HydrophobicContact CB-CB 3.88Å; M216-L246 HydrophobicContact CB-CD1 4.32Å; M216-L246 HydrophobicContact CG-CB 3.91Å; M216-L246 HydrophobicContact SD-CB 4.37Å; M216-L246 HydrophobicContact SD-CD1 4.36Å; M216-L273 HydrophobicContact CE-CD1 3.95Å; M216-L273 HydrophobicContact CE-CD2 4Å
217	S	93.3	Very high	96.4	Very high	7 Å²	7	18.8 Å²	18.8	5%	0.049	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-159.5	-172.9	-167.4	0	0	0	0	109.7	S163 L221 L246 G248 G249 N252	S163-S217 PolarHBondContact OG-OG 2.81Å; S217-L221 VanDerWaalsContact CB-CB 3.48Å; S217-L221 WeakPolarHBondContact OG-CB 3.23Å; S217-L246 PolarHBondContact N-O 3.17Å; S217-G248 PolarHBondContact O-N 3.36Å; S217-G249 VanDerWaalsContact C-N 3.31Å; S217-G249 PolarHBondContact O-N 3.07Å; S217-G249 VanDerWaalsContact O-N 3.09Å; S217-N252 PolarHBondContact O-OD1 2.86Å
218	G	90.6	Very high	96.4	Very high	14 Å²	14	17.9 Å²	17.9	14%	0.144	10%	0.103	C	C	.	.			trans	-93.3	-174.3	157.9	0	0	0	0	0	112.4	G220 L221 G251	G218-G220 VanDerWaalsContact C-N 3.3Å; G218-G220 PolarHBondContact O-N 3.11Å; G218-L221 PolarHBondContact O-N 3.2Å; G218-G251 CarbonylContact C-O 3.58Å; G218-G251 WeakPolarHBondContact CA-O 3.32Å
219	D	93.2	Very high	96.6	Very high	15 Å²	15	13.5 Å²	13.5	8%	0.08	7%	0.073	C	C	.	.	H	α-helix	trans	-56.4	-36.7	-174.5	-61	-54.3	0	0	0	113.4	L221 L222 H223 G251 N252 A253 L254 F304 L305	D219-L221 PolarHBondContact O-N 2.78Å; D219-L222 WeakPolarHBondContact O-CB 3.5Å; D219-L222 PolarHBondContact O-N 2.86Å; D219-H223 PolarHBondContact O-N 3.42Å; D219-G251 PolarHBondContact N-O 2.87Å; D219-G251 VanDerWaalsContact OD2-O 3.09Å; D219-N252 PolarHBondContact OD2-N 3.35Å; D219-A253 PolarHBondContact OD1-N 3.25Å; D219-A253 WeakPolarHBondContact OD2-CB 3.44Å; D219-A253 PolarHBondContact OD2-N 2.97Å; D219-L254 PolarHBondContact OD1-N 3.42Å; D219-F304 HydrophobicContact CB-CE2 4.45Å; D219-F304 HydrophobicContact CB-CZ 3.89Å; D219-F304 WeakPolarHBondContact O-CZ 3.23Å; D219-L305 HydrophobicContact CB-CD2 4.05Å
220	G	93.5	Very high	96.6	Very high	15 Å²	15	9.1 Å²	9.1	16%	0.155	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-31.6	-178.4	0	0	0	0	0	115.8	G218 L222 H223 E224 E520	G218-G220 VanDerWaalsContact C-N 3.3Å; G218-G220 PolarHBondContact O-N 3.11Å; G220-L222 VanDerWaalsContact C-N 3.34Å; G220-H223 WeakPolarHBondContact O-CB 3.4Å; G220-H223 PolarHBondContact O-N 2.73Å; G220-E224 PolarHBondContact O-N 2.84Å; G220-E224 VanDerWaalsContact O-N 3.15Å; G220-E520 WeakPolarHBondContact CA-OE1 3.28Å
221	L	96	Very high	96.5	Very high	7 Å²	7	10.1 Å²	10.1	4%	0.037	6%	0.058	C	C	.	.	H	α-helix	trans	-74.1	-30.9	176.4	-166.7	64.9	0	0	0	111.6	F158 N160 T192 A198 I215 S217 G218 D219 H223 E224 V225	F158-L221 HydrophobicContact CB-CD2 4.21Å; N160-L221 HydrophobicContact CB-CD2 4.08Å; T192-L221 HydrophobicContact CG2-CD1 4.23Å; T192-L221 HydrophobicContact CG2-CD2 4.38Å; A198-L221 HydrophobicContact CB-CD1 3.58Å; A198-L221 HydrophobicContact CB-CG 4.26Å; I215-L221 HydrophobicContact CG2-CB 3.89Å; I215-L221 HydrophobicContact CG2-CD2 3.96Å; I215-L221 HydrophobicContact CG2-CG 3.99Å; S217-L221 VanDerWaalsContact CB-CB 3.48Å; S217-L221 WeakPolarHBondContact OG-CB 3.23Å; G218-L221 PolarHBondContact O-N 3.2Å; D219-L221 PolarHBondContact O-N 2.78Å; L221-H223 VanDerWaalsContact C-N 3.35Å; L221-E224 PolarHBondContact O-N 3.42Å; L221-V225 WeakPolarHBondContact O-CG2 3.2Å; L221-V225 PolarHBondContact O-N 3.31Å; L221-V225 VanDerWaalsContact O-N 3.16Å
222	L	96.4	Very high	96.5	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-69.5	-38.1	173.3	179.6	63	0	0	0	110.8	I215 D219 G220 E224 V225 I226 L243 I245 L254 F304	I215-L222 HydrophobicContact CD1-CD1 3.64Å; I215-L222 HydrophobicContact CG1-CD1 3.93Å; I215-L222 HydrophobicContact CG2-CB 4.34Å; D219-L222 WeakPolarHBondContact O-CB 3.5Å; D219-L222 PolarHBondContact O-N 2.86Å; G220-L222 VanDerWaalsContact C-N 3.34Å; L222-E224 VanDerWaalsContact C-N 3.3Å; L222-E224 PolarHBondContact O-N 2.84Å; L222-V225 PolarHBondContact O-N 2.86Å; L222-V225 VanDerWaalsContact O-N 3.16Å; L222-I226 HydrophobicContact CD1-CD1 4.06Å; L222-I226 HydrophobicContact CD1-CG1 4.19Å; L222-I226 HydrophobicContact CD2-CD1 4.44Å; L222-I226 HydrophobicContact CG-CD1 3.89Å; L222-I226 HydrophobicContact CG-CG1 4.41Å; L222-I226 PolarHBondContact O-N 2.94Å; L222-L243 HydrophobicContact CD1-CB 4.46Å; L222-L243 HydrophobicContact CD1-CD1 3.87Å; L222-I245 HydrophobicContact CD2-CD1 3.84Å; L222-I245 HydrophobicContact CD2-CG1 4.04Å; L222-L254 HydrophobicContact CD2-CD2 3.41Å; L222-L254 VanDerWaalsContact CD2-CD2 3.41Å; L222-F304 HydrophobicContact CB-CE1 4.04Å; L222-F304 HydrophobicContact CB-CZ 3.98Å; L222-F304 HydrophobicContact CD2-CD1 4.35Å; L222-F304 HydrophobicContact CD2-CD2 4.07Å; L222-F304 HydrophobicContact CD2-CE1 4.01Å; L222-F304 HydrophobicContact CD2-CE2 3.7Å; L222-F304 HydrophobicContact CD2-CG 4.35Å; L222-F304 HydrophobicContact CD2-CZ 3.67Å; L222-F304 HydrophobicContact CG-CD1 4.28Å; L222-F304 HydrophobicContact CG-CE1 3.88Å; L222-F304 HydrophobicContact CG-CE2 4.46Å; L222-F304 HydrophobicContact CG-CZ 3.97Å
223	H	96.8	Very high	96.3	Very high	15 Å²	15	15.7 Å²	15.7	7%	0.069	9%	0.094	C	C	.	.	H	α-helix	trans	-55.5	-46.1	172.5	178.8	87.3	0	0	0	111.3	D219 G220 L221 V225 N227 F304 D518	D219-H223 PolarHBondContact O-N 3.42Å; G220-H223 WeakPolarHBondContact O-CB 3.4Å; G220-H223 PolarHBondContact O-N 2.73Å; L221-H223 VanDerWaalsContact C-N 3.35Å; H223-V225 PolarHBondContact O-N 2.94Å; H223-N227 PolarHBondContact CE1-ND2 3.11Å; H223-N227 VanDerWaalsContact CE1-ND2 3.33Å; H223-N227 PolarHBondContact NE2-ND2 2.87Å; H223-N227 WeakPolarHBondContact O-CB 3.44Å; H223-N227 PolarHBondContact O-N 2.99Å; H223-N227 VanDerWaalsContact O-N 3.1Å; H223-N227 PolarHBondContact O-ND2 3.07Å; H223-F304 HydrophobicContact CB-CE1 4.04Å; H223-D518 HydrophobicContact CB-CB 4.2Å; H223-D518 IonicContact CE1-OD2 3.93Å; H223-D518 IonicContact CG-OD2 3.87Å; H223-D518 IonicContact ND1-OD2 3.66Å; H223-D518 PolarHBondContact ND1-OD2 2.87Å
224	E	97.8	Very high	96.2	Very high	20 Å²	20	18.7 Å²	18.7	9%	0.093	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-46.5	174.3	-74	-173	-161	0	0	112.6	N196 H197 A198 R199 G220 L221 L222 G228	N196-E224 VanDerWaalsContact CA-CD 3.44Å; N196-E224 WeakPolarHBondContact CA-OE2 3.31Å; N196-E224 PolarHBondContact N-OE1 2.86Å; N196-E224 PolarHBondContact N-OE2 3.21Å; N196-E224 VanDerWaalsContact N-OE2 3.12Å; H197-E224 PolarHBondContact N-OE2 2.81Å; A198-E224 HydrophobicContact CB-CB 4.27Å; A198-E224 PolarHBondContact N-OE2 2.79Å; R199-E224 WeakPolarHBondContact CA-O 3.18Å; R199-E224 HydrophobicContact CB-CB 4.02Å; R199-E224 WeakPolarHBondContact CB-O 3.39Å; G220-E224 PolarHBondContact O-N 2.84Å; G220-E224 VanDerWaalsContact O-N 3.15Å; L221-E224 PolarHBondContact O-N 3.42Å; L222-E224 VanDerWaalsContact C-N 3.3Å; L222-E224 PolarHBondContact O-N 2.84Å; E224-G228 PolarHBondContact O-N 3.3Å
225	V	98.3	Very high	96.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-47.3	-179	169.5	0	0	0	0	111.4	A198 V202 L213 I215 L221 L222 H223 G228 L229 L243	A198-V225 HydrophobicContact CB-CG2 4Å; V202-V225 HydrophobicContact CG1-CG1 4.5Å; V202-V225 HydrophobicContact CG2-CG1 4.26Å; V202-V225 HydrophobicContact CG2-CG2 4.23Å; L213-V225 HydrophobicContact CD1-CG1 3.95Å; I215-V225 HydrophobicContact CD1-CG1 4.32Å; I215-V225 HydrophobicContact CG1-CB 4.41Å; I215-V225 HydrophobicContact CG1-CG2 3.96Å; L221-V225 WeakPolarHBondContact O-CG2 3.2Å; L221-V225 PolarHBondContact O-N 3.31Å; L221-V225 VanDerWaalsContact O-N 3.16Å; L222-V225 PolarHBondContact O-N 2.86Å; L222-V225 VanDerWaalsContact O-N 3.16Å; H223-V225 PolarHBondContact O-N 2.94Å; V225-G228 PolarHBondContact O-N 3.49Å; V225-L229 HydrophobicContact CG1-CD1 4.31Å; V225-L229 WeakPolarHBondContact O-CG 3.44Å; V225-L229 PolarHBondContact O-N 3.22Å; V225-L243 HydrophobicContact CG1-CD2 4.17Å
226	I	98.1	Very high	96	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-47.6	-179	-73.1	171.5	0	0	0	111	L222 G228 L229 L230 L243 M288 L290 F302 F304	L222-I226 HydrophobicContact CD1-CD1 4.06Å; L222-I226 HydrophobicContact CD1-CG1 4.19Å; L222-I226 HydrophobicContact CD2-CD1 4.44Å; L222-I226 HydrophobicContact CG-CD1 3.89Å; L222-I226 HydrophobicContact CG-CG1 4.41Å; L222-I226 PolarHBondContact O-N 2.94Å; I226-G228 VanDerWaalsContact C-N 3.28Å; I226-G228 PolarHBondContact O-N 3.03Å; I226-L229 PolarHBondContact O-N 3.24Å; I226-L230 HydrophobicContact CG2-CD1 3.88Å; I226-L230 PolarHBondContact O-N 2.9Å; I226-L243 HydrophobicContact CD1-CD1 4.02Å; I226-L243 HydrophobicContact CG1-CD1 3.6Å; I226-M288 HydrophobicContact CD1-CE 4.32Å; I226-L290 HydrophobicContact CD1-CD2 4.1Å; I226-L290 HydrophobicContact CG2-CD1 4.01Å; I226-L290 HydrophobicContact CG2-CD2 4.24Å; I226-F302 HydrophobicContact CG2-CB 4.28Å; I226-F304 HydrophobicContact CD1-CB 3.81Å; I226-F304 HydrophobicContact CD1-CD1 3.6Å; I226-F304 HydrophobicContact CD1-CE1 4.44Å; I226-F304 HydrophobicContact CD1-CG 3.89Å
227	N	98	Very high	96	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-33.5	177.9	-75.8	-88.2	0	0	0	111.4	H223 L230 E231 F302	H223-N227 PolarHBondContact CE1-ND2 3.11Å; H223-N227 VanDerWaalsContact CE1-ND2 3.33Å; H223-N227 PolarHBondContact NE2-ND2 2.87Å; H223-N227 WeakPolarHBondContact O-CB 3.44Å; H223-N227 PolarHBondContact O-N 2.99Å; H223-N227 VanDerWaalsContact O-N 3.1Å; H223-N227 PolarHBondContact O-ND2 3.07Å; N227-L230 PolarHBondContact O-N 2.85Å; N227-E231 WeakPolarHBondContact O-CB 3.32Å; N227-E231 VanDerWaalsContact O-CG 3.32Å; N227-E231 WeakPolarHBondContact O-CG 3.49Å; N227-E231 PolarHBondContact O-N 2.9Å; N227-F302 PolarHBondContact ND2-O 3.25Å; N227-F302 PolarHBondContact OD1-N 3.1Å
228	G	97.7	Very high	96.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-45.7	171.9	0	0	0	0	0	112.7	K203 E224 V225 I226 E231 R232	K203-G228 VanDerWaalsContact CG-O 3.25Å; K203-G228 WeakPolarHBondContact CG-O 3.29Å; E224-G228 PolarHBondContact O-N 3.3Å; V225-G228 PolarHBondContact O-N 3.49Å; I226-G228 VanDerWaalsContact C-N 3.28Å; I226-G228 PolarHBondContact O-N 3.03Å; G228-E231 PolarHBondContact O-N 3.12Å; G228-R232 WeakPolarHBondContact O-CG 3.27Å
229	L	98.2	Very high	96.5	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-44.3	175.6	-69.2	171.4	0	0	0	112	V202 L207 L213 V225 I226 E231 R232 A238 L243	V202-L229 HydrophobicContact CG1-CB 4.49Å; V202-L229 HydrophobicContact CG1-CD2 3.3Å; V202-L229 HydrophobicContact CG1-CG 3.55Å; L207-L229 HydrophobicContact CD1-CD2 3.66Å; L207-L229 HydrophobicContact CD2-CD2 4.18Å; L213-L229 HydrophobicContact CD1-CD1 4.34Å; L213-L229 HydrophobicContact CD1-CD2 4.13Å; V225-L229 HydrophobicContact CG1-CD1 4.31Å; V225-L229 WeakPolarHBondContact O-CG 3.44Å; V225-L229 PolarHBondContact O-N 3.22Å; I226-L229 PolarHBondContact O-N 3.24Å; L229-E231 VanDerWaalsContact C-N 3.28Å; L229-E231 PolarHBondContact O-N 3.11Å; L229-R232 WeakPolarHBondContact O-CB 3.29Å; L229-R232 PolarHBondContact O-N 3.09Å; L229-A238 HydrophobicContact CB-CB 4.44Å; L229-A238 HydrophobicContact CD2-CB 4Å; L229-L243 HydrophobicContact CD1-CD2 4.11Å
230	L	97.2	Very high	96.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-75.2	-14.9	-176.3	-78.2	162.2	0	0	0	113.9	I226 N227 W235 V239 L290 F302 P408 L535	I226-L230 HydrophobicContact CG2-CD1 3.88Å; I226-L230 PolarHBondContact O-N 2.9Å; N227-L230 PolarHBondContact O-N 2.85Å; L230-W235 HydrophobicContact CD2-CD2 4.3Å; L230-W235 HydrophobicContact CD2-CE3 3.63Å; L230-W235 HydrophobicContact CD2-CZ3 4.3Å; L230-V239 HydrophobicContact CD1-CG2 4.31Å; L230-V239 HydrophobicContact CD2-CB 4.1Å; L230-V239 HydrophobicContact CD2-CG2 3.91Å; L230-V239 HydrophobicContact CG-CB 4.46Å; L230-V239 HydrophobicContact CG-CG2 4.06Å; L230-L290 HydrophobicContact CD1-CD1 4Å; L230-F302 HydrophobicContact CB-CD2 3.86Å; L230-F302 HydrophobicContact CB-CE2 3.92Å; L230-F302 HydrophobicContact CD1-CB 3.67Å; L230-F302 HydrophobicContact CD1-CD1 3.72Å; L230-F302 HydrophobicContact CD1-CD2 3.46Å; L230-F302 VanDerWaalsContact CD1-CD2 3.46Å; L230-F302 HydrophobicContact CD1-CE1 4.19Å; L230-F302 HydrophobicContact CD1-CE2 3.96Å; L230-F302 HydrophobicContact CD1-CG 3.32Å; L230-F302 HydrophobicContact CD1-CZ 4.3Å; L230-F302 HydrophobicContact CD2-CE2 4.41Å; L230-F302 HydrophobicContact CD2-CZ 4.4Å; L230-F302 HydrophobicContact CG-CD2 4.18Å; L230-F302 HydrophobicContact CG-CE2 4.32Å; L230-F302 HydrophobicContact CG-CG 4.46Å; L230-P408 WeakPolarHBondContact O-CB 3.39Å; L230-L535 HydrophobicContact CD2-CD2 4.45Å
231	E	95.7	Very high	96.7	Very high	58 Å²	58	37.5 Å²	37.5	27%	0.271	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.2	172.3	-84.4	174.6	-148.8	0	0	114.5	R199 K203 N227 G228 L229	R199-E231 IonicContact CZ-OE1 3.05Å; R199-E231 IonicContact NE-OE1 2.71Å; R199-E231 PolarHBondContact NE-OE1 2.89Å; R199-E231 IonicContact NE-OE2 2.92Å; R199-E231 IonicContact NH2-OE1 2.99Å; R199-E231 PolarHBondContact NH2-OE1 3.27Å; K203-E231 HydrophobicContact CD-CB 4.13Å; K203-E231 WeakPolarHBondContact CD-OE2 3.35Å; K203-E231 WeakPolarHBondContact CE-OE2 3.26Å; K203-E231 HydrophobicContact CG-CB 4.37Å; K203-E231 IonicContact NZ-OE2 3.23Å; K203-E231 PolarHBondContact NZ-OE2 3.04Å; N227-E231 WeakPolarHBondContact O-CB 3.32Å; N227-E231 VanDerWaalsContact O-CG 3.32Å; N227-E231 WeakPolarHBondContact O-CG 3.49Å; N227-E231 PolarHBondContact O-N 2.9Å; G228-E231 PolarHBondContact O-N 3.12Å; L229-E231 VanDerWaalsContact C-N 3.28Å; L229-E231 PolarHBondContact O-N 3.11Å
232	R	96.1	Very high	96.8	Very high	24 Å²	24	37.8 Å²	37.8	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	-71.8	152.1	-177.6	-64.5	169.6	58.2	102.6	1.8	111.4	V202 K203 V205 G228 L229 D234 W235	V202-R232 PolarHBondContact O-NH1 3.18Å; K203-R232 HydrophobicContact CG-CG 4.45Å; K203-R232 PolarHBondContact O-NH1 2.91Å; V205-R232 PolarHBondContact O-NH1 3.12Å; G228-R232 WeakPolarHBondContact O-CG 3.27Å; L229-R232 WeakPolarHBondContact O-CB 3.29Å; L229-R232 PolarHBondContact O-N 3.09Å; R232-D234 WeakPolarHBondContact CB-OD1 3.27Å; R232-D234 IonicContact CZ-OD1 3.66Å; R232-D234 IonicContact CZ-OD2 3.77Å; R232-D234 IonicContact NE-OD1 3.72Å; R232-D234 PolarHBondContact NE-OD1 3.48Å; R232-D234 IonicContact NE-OD2 3.83Å; R232-D234 IonicContact NH2-OD1 2.67Å; R232-D234 PolarHBondContact NH2-OD1 3.07Å; R232-D234 IonicContact NH2-OD2 2.8Å; R232-D234 PolarHBondContact NH2-OD2 3.39Å; R232-D234 PolarHBondContact O-N 3.28Å; R232-W235 WeakPolarHBondContact O-CB 3.41Å; R232-W235 PolarHBondContact O-N 3.16Å
233	P	94.9	Very high	96.9	Very high	137 Å²	137	38 Å²	38	89%	0.89	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.8	171.4	-23.5	34.3	0	0	0	113.1	W235	P233-W235 VanDerWaalsContact C-N 3.34Å
234	D	96.2	Very high	96.9	Very high	62 Å²	62	37.2 Å²	37.2	33%	0.332	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	29.3	178.3	65	-23.7	0	0	0	112.6	R232 E236 E237 A238	R232-D234 WeakPolarHBondContact CB-OD1 3.27Å; R232-D234 IonicContact CZ-OD1 3.66Å; R232-D234 IonicContact CZ-OD2 3.77Å; R232-D234 IonicContact NE-OD1 3.72Å; R232-D234 PolarHBondContact NE-OD1 3.48Å; R232-D234 IonicContact NE-OD2 3.83Å; R232-D234 IonicContact NH2-OD1 2.67Å; R232-D234 PolarHBondContact NH2-OD1 3.07Å; R232-D234 IonicContact NH2-OD2 2.8Å; R232-D234 PolarHBondContact NH2-OD2 3.39Å; R232-D234 PolarHBondContact O-N 3.28Å; D234-E236 PolarHBondContact O-N 2.92Å; D234-E237 PolarHBondContact O-N 3.46Å; D234-A238 PolarHBondContact O-N 3.35Å
235	W	96.3	Very high	96.9	Very high	40 Å²	40	37.4 Å²	37.4	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-52.8	-33	-173.1	71.7	-91.3	0	0	0	113.8	L230 R232 P233 E237 A238 V239 G409 P410 L535	L230-W235 HydrophobicContact CD2-CD2 4.3Å; L230-W235 HydrophobicContact CD2-CE3 3.63Å; L230-W235 HydrophobicContact CD2-CZ3 4.3Å; R232-W235 WeakPolarHBondContact O-CB 3.41Å; R232-W235 PolarHBondContact O-N 3.16Å; P233-W235 VanDerWaalsContact C-N 3.34Å; W235-E237 VanDerWaalsContact C-N 3.25Å; W235-E237 PolarHBondContact O-N 3.48Å; W235-A238 PolarHBondContact O-N 3.04Å; W235-V239 HydrophobicContact CE3-CG1 4.13Å; W235-V239 HydrophobicContact CZ3-CG1 4.32Å; W235-V239 WeakPolarHBondContact O-CB 3.4Å; W235-V239 VanDerWaalsContact O-CG1 3.23Å; W235-V239 WeakPolarHBondContact O-CG1 3.47Å; W235-V239 PolarHBondContact O-N 3.38Å; W235-G409 VanDerWaalsContact CE2-CA 3.44Å; W235-G409 WeakPolarHBondContact CZ2-O 3.25Å; W235-P410 HydrophobicContact CH2-CB 3.83Å; W235-P410 VanDerWaalsContact CH2-CD 3.49Å; W235-P410 HydrophobicContact CH2-CG 4.21Å; W235-P410 HydrophobicContact CZ3-CG 4.44Å; W235-L535 HydrophobicContact CZ3-CD1 4.13Å
236	E	95.5	Very high	96.8	Very high	115 Å²	115	37.4 Å²	37.4	54%	0.537	18%	0.184	S	C	.	.	H	α-helix	trans	-60.5	-35	-179.6	-69.5	-173.5	-172.3	0	0	112.6	D234 R240	D234-E236 PolarHBondContact O-N 2.92Å; E236-R240 VanDerWaalsContact O-CD 3.31Å; E236-R240 WeakPolarHBondContact O-CD 3.4Å; E236-R240 WeakPolarHBondContact O-CG 3.45Å; E236-R240 PolarHBondContact O-NE 3.5Å
237	E	95.8	Very high	96.7	Very high	140 Å²	140	37.4 Å²	37.4	65%	0.654	19%	0.185	S	C	*	.	H	α-helix	trans	-87.6	-41.3	173.6	-65	-170.3	148.5	0	0	110.5	D234 W235 V239 R240	D234-E237 PolarHBondContact O-N 3.46Å; W235-E237 VanDerWaalsContact C-N 3.25Å; W235-E237 PolarHBondContact O-N 3.48Å; E237-V239 PolarHBondContact O-N 2.85Å; E237-R240 WeakPolarHBondContact O-CB 3.37Å; E237-R240 PolarHBondContact O-N 3.26Å; E237-R240 VanDerWaalsContact O-N 3.15Å
238	A	97.6	Very high	96.4	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-44.9	-176.5	0	0	0	0	0	113.1	L207 L229 D234 W235 R240 T241	L207-A238 HydrophobicContact CD1-CB 3.52Å; L229-A238 HydrophobicContact CB-CB 4.44Å; L229-A238 HydrophobicContact CD2-CB 4Å; D234-A238 PolarHBondContact O-N 3.35Å; W235-A238 PolarHBondContact O-N 3.04Å; A238-R240 PolarHBondContact O-N 3.13Å; A238-T241 VanDerWaalsContact O-CB 3.26Å; A238-T241 WeakPolarHBondContact O-CB 3.47Å; A238-T241 PolarHBondContact O-N 3.4Å; A238-T241 PolarHBondContact O-OG1 3.38Å
239	V	96.7	Very high	96	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.6	179.5	75.1	0	0	0	0	112.5	L230 W235 E237 T241 L290 L535	L230-V239 HydrophobicContact CD1-CG2 4.31Å; L230-V239 HydrophobicContact CD2-CB 4.1Å; L230-V239 HydrophobicContact CD2-CG2 3.91Å; L230-V239 HydrophobicContact CG-CB 4.46Å; L230-V239 HydrophobicContact CG-CG2 4.06Å; W235-V239 HydrophobicContact CE3-CG1 4.13Å; W235-V239 HydrophobicContact CZ3-CG1 4.32Å; W235-V239 WeakPolarHBondContact O-CB 3.4Å; W235-V239 VanDerWaalsContact O-CG1 3.23Å; W235-V239 WeakPolarHBondContact O-CG1 3.47Å; W235-V239 PolarHBondContact O-N 3.38Å; E237-V239 PolarHBondContact O-N 2.85Å; V239-T241 PolarHBondContact O-N 3.46Å; V239-L290 HydrophobicContact CG2-CD1 3.97Å; V239-L535 HydrophobicContact CG1-CD1 4.24Å; V239-L535 HydrophobicContact CG2-CG 4.15Å
240	R	95.3	Very high	95.3	Very high	129 Å²	129	38.7 Å²	38.7	49%	0.487	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.2	174.3	-61.1	176.1	178.1	148.8	5.1	111	E236 E237 A238 P242 R537	E236-R240 VanDerWaalsContact O-CD 3.31Å; E236-R240 WeakPolarHBondContact O-CD 3.4Å; E236-R240 WeakPolarHBondContact O-CG 3.45Å; E236-R240 PolarHBondContact O-NE 3.5Å; E237-R240 WeakPolarHBondContact O-CB 3.37Å; E237-R240 PolarHBondContact O-N 3.26Å; E237-R240 VanDerWaalsContact O-N 3.15Å; A238-R240 PolarHBondContact O-N 3.13Å; R240-P242 VanDerWaalsContact O-CD 3.26Å; R240-P242 WeakPolarHBondContact O-CD 3.42Å; R240-P242 VanDerWaalsContact O-N 3.13Å; R240-R537 PolarHBondContact O-NE 3.27Å; R240-R537 PolarHBondContact O-NH2 2.58Å
241	T	97.3	Very high	94.8	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.092	21%	0.205	C	C	.	.	S	Bend	trans	-59.6	121	176.9	-52.3	0	0	0	0	110.4	L207 L213 A238 V239 L243	L207-T241 HydrophobicContact CD2-CG2 4.45Å; L213-T241 HydrophobicContact CG-CG2 3.89Å; A238-T241 VanDerWaalsContact O-CB 3.26Å; A238-T241 WeakPolarHBondContact O-CB 3.47Å; A238-T241 PolarHBondContact O-N 3.4Å; A238-T241 PolarHBondContact O-OG1 3.38Å; V239-T241 PolarHBondContact O-N 3.46Å; T241-L243 PolarHBondContact O-N 2.79Å
242	P	97.6	Very high	94.7	Very high	14 Å²	14	36.9 Å²	36.9	9%	0.091	19%	0.194	C	C	.	.			trans	-58.6	136.3	-179.6	-25.1	34.7	0	0	0	112.5	L149 D211 A212 L213 R240 V285 I539	L149-P242 HydrophobicContact CD2-CB 4.07Å; L149-P242 HydrophobicContact CD2-CG 3.94Å; D211-P242 WeakPolarHBondContact O-CD 3.4Å; A212-P242 CarbonylContact C-O 3.07Å; A212-P242 VanDerWaalsContact CA-O 3.24Å; A212-P242 WeakPolarHBondContact CA-O 3.43Å; A212-P242 HydrophobicContact CB-CB 4.16Å; A212-P242 VanDerWaalsContact CB-O 3.32Å; A212-P242 WeakPolarHBondContact CB-O 3.36Å; L213-P242 PolarHBondContact N-O 3.38Å; R240-P242 VanDerWaalsContact O-CD 3.26Å; R240-P242 WeakPolarHBondContact O-CD 3.42Å; R240-P242 VanDerWaalsContact O-N 3.13Å; P242-V285 HydrophobicContact CB-CG1 4.23Å; P242-V285 HydrophobicContact CB-CG2 4.14Å; P242-V285 HydrophobicContact CG-CG1 4.35Å; P242-V285 HydrophobicContact CG-CG2 4.31Å; P242-I539 HydrophobicContact CB-CG1 4.44Å
243	L	98.3	Very high	94.7	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.5	179.3	-55.3	-179.6	0	0	0	110.7	L213 I215 L222 V225 I226 L229 T241 R537 V538 I539	L213-L243 HydrophobicContact CB-CD2 3.9Å; L213-L243 HydrophobicContact CD1-CD2 4.3Å; L213-L243 HydrophobicContact CG-CD2 4.42Å; L213-L243 CarbonylContact O-C 3.56Å; L213-L243 VanDerWaalsContact O-CA 3.3Å; L213-L243 WeakPolarHBondContact O-CA 3.46Å; I215-L243 HydrophobicContact CD1-CD2 4.37Å; L222-L243 HydrophobicContact CD1-CB 4.46Å; L222-L243 HydrophobicContact CD1-CD1 3.87Å; V225-L243 HydrophobicContact CG1-CD2 4.17Å; I226-L243 HydrophobicContact CD1-CD1 4.02Å; I226-L243 HydrophobicContact CG1-CD1 3.6Å; L229-L243 HydrophobicContact CD1-CD2 4.11Å; T241-L243 PolarHBondContact O-N 2.79Å; L243-R537 PolarHBondContact N-O 3.18Å; L243-V538 CarbonylContact O-C 3.51Å; L243-V538 VanDerWaalsContact O-CA 3.29Å; L243-V538 WeakPolarHBondContact O-CA 3.48Å; L243-V538 WeakPolarHBondContact O-CG2 3.34Å; L243-I539 PolarHBondContact O-N 3.07Å
244	G	97.4	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.1	170.5	0	0	0	0	0	111	L213 V214 I215	L213-G244 PolarHBondContact O-N 2.96Å; V214-G244 CarbonylContact C-O 3.54Å; V214-G244 WeakPolarHBondContact CA-O 3.32Å; I215-G244 PolarHBondContact N-O 3.2Å
245	I	96.8	Very high	94.8	Very high	23 Å²	23	26.2 Å²	26.2	12%	0.118	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.9	-173.9	-55.8	157.1	0	0	0	109.1	L222 L254 A255 C276 V538	L222-I245 HydrophobicContact CD2-CD1 3.84Å; L222-I245 HydrophobicContact CD2-CG1 4.04Å; I245-L254 HydrophobicContact CD1-CB 4.28Å; I245-L254 HydrophobicContact CD1-CD2 3.11Å; I245-L254 HydrophobicContact CD1-CG 3.44Å; I245-L254 VanDerWaalsContact CD1-CG 3.44Å; I245-L254 HydrophobicContact CG1-CD2 4.42Å; I245-A255 HydrophobicContact CG2-CB 3.92Å; I245-C276 WeakPolarHBondContact O-CB 3.35Å; I245-V538 HydrophobicContact CD1-CG2 3.7Å; I245-V538 HydrophobicContact CG1-CG2 4.49Å
246	L	97.5	Very high	94.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.9	177.7	-62.6	175.4	0	0	0	108.3	L157 I176 V214 I215 M216 S217 G248 L273 C276 L280	L157-L246 HydrophobicContact CD1-CD1 4.21Å; I176-L246 HydrophobicContact CD1-CD1 4.27Å; I176-L246 HydrophobicContact CD1-CD2 4.05Å; I176-L246 HydrophobicContact CG1-CD1 4.15Å; I176-L246 HydrophobicContact CG2-CD1 3.67Å; V214-L246 HydrophobicContact CG1-CD1 3.68Å; V214-L246 HydrophobicContact CG1-CG 3.95Å; I215-L246 PolarHBondContact O-N 3.48Å; M216-L246 VanDerWaalsContact CA-O 3.29Å; M216-L246 WeakPolarHBondContact CA-O 3.3Å; M216-L246 HydrophobicContact CB-CB 3.88Å; M216-L246 HydrophobicContact CB-CD1 4.32Å; M216-L246 HydrophobicContact CG-CB 3.91Å; M216-L246 HydrophobicContact SD-CB 4.37Å; M216-L246 HydrophobicContact SD-CD1 4.36Å; S217-L246 PolarHBondContact N-O 3.17Å; L246-G248 PolarHBondContact O-N 3.46Å; L246-G248 VanDerWaalsContact O-N 3.11Å; L246-L273 HydrophobicContact CB-CD1 3.89Å; L246-L273 HydrophobicContact CD2-CD1 4.39Å; L246-C276 HydrophobicContact CD2-CB 4.19Å; L246-L280 HydrophobicContact CD1-CD2 4.03Å; L246-L280 HydrophobicContact CD2-CD2 4.17Å; L246-L280 HydrophobicContact CG-CD2 4.32Å
247	P	95.9	Very high	95	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.032	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	115	-177	29.2	-37.3	0	0	0	110.6	N252 A255 L272 L273	P247-N252 HydrophobicContact CB-CB 3.72Å; P247-N252 VanDerWaalsContact CB-CG 3.45Å; P247-A255 HydrophobicContact CB-CB 4.06Å; P247-A255 HydrophobicContact CG-CB 4.31Å; P247-L272 HydrophobicContact CB-CD2 4.28Å; P247-L272 HydrophobicContact CG-CB 4.3Å; P247-L272 HydrophobicContact CG-CD2 4.14Å; P247-L272 HydrophobicContact CG-CG 3.96Å; P247-L273 HydrophobicContact CG-CB 3.94Å; P247-L273 HydrophobicContact CG-CD1 4.26Å
248	G	91.4	Very high	95	Very high	8 Å²	8	12.7 Å²	12.7	8%	0.082	7%	0.071	C	C	.	.			trans	-131.5	-0.3	172	0	0	0	0	0	112.7	S163 G164 S217 L246	S163-G248 CarbonylContact C-O 3.58Å; S163-G248 VanDerWaalsContact C-O 3.28Å; S163-G248 WeakPolarHBondContact CB-O 3.31Å; G164-G248 PolarHBondContact N-O 3.35Å; S217-G248 PolarHBondContact O-N 3.36Å; L246-G248 PolarHBondContact O-N 3.46Å; L246-G248 VanDerWaalsContact O-N 3.11Å
249	G	88	Confident	94.9	Very high	15 Å²	15	12.8 Å²	12.8	16%	0.155	7%	0.071	C	C	.	.	S	Bend	trans	-98.6	-171.6	-176.3	0	0	0	0	0	114.5	S217 N252	S217-G249 VanDerWaalsContact C-N 3.31Å; S217-G249 PolarHBondContact O-N 3.07Å; S217-G249 VanDerWaalsContact O-N 3.09Å; G249-N252 WeakPolarHBondContact CA-OD1 3.09Å; G249-N252 PolarHBondContact N-OD1 2.99Å; G249-N252 VanDerWaalsContact N-OD1 3.12Å; G249-N252 PolarHBondContact O-ND2 3.28Å
250	S	84.9	Confident	94.9	Very high	10 Å²	10	16.5 Å²	16.5	7%	0.07	9%	0.085	C	C	.	.	S	Bend	trans	-90.2	-33.4	167.9	-56.4	0	0	0	0	112.7	G326	S250-G326 WeakPolarHBondContact OG-CA 3.4Å
251	G	85.1	Confident	94.8	Very high	15 Å²	15	13 Å²	13	16%	0.155	7%	0.072	C	C	.	.			trans	-102.2	114.4	169.1	0	0	0	0	0	108.4	G218 D219	G218-G251 CarbonylContact C-O 3.58Å; G218-G251 WeakPolarHBondContact CA-O 3.32Å; D219-G251 PolarHBondContact N-O 2.87Å; D219-G251 VanDerWaalsContact OD2-O 3.09Å
252	N	93.7	Very high	94.5	Very high	6 Å²	6	13 Å²	13	3%	0.032	7%	0.072	C	C	.	.			trans	-130.3	40.9	-178.1	-60.4	-48.9	0	0	0	109.6	S217 D219 P247 G249 A255 A256 E447	S217-N252 PolarHBondContact O-OD1 2.86Å; D219-N252 PolarHBondContact OD2-N 3.35Å; P247-N252 HydrophobicContact CB-CB 3.72Å; P247-N252 VanDerWaalsContact CB-CG 3.45Å; G249-N252 WeakPolarHBondContact CA-OD1 3.09Å; G249-N252 PolarHBondContact N-OD1 2.99Å; G249-N252 VanDerWaalsContact N-OD1 3.12Å; G249-N252 PolarHBondContact O-ND2 3.28Å; N252-A255 HydrophobicContact CB-CB 4.29Å; N252-A255 PolarHBondContact O-N 3.14Å; N252-A256 PolarHBondContact O-N 2.83Å; N252-E447 HydrophobicContact CB-CG 3.89Å; N252-E447 PolarHBondContact ND2-OE1 3.26Å
253	A	96.2	Very high	94.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.7	-39.7	-167.3	0	0	0	0	0	112.2	D219 A256 S257 L305 H444 L445	D219-A253 PolarHBondContact OD1-N 3.25Å; D219-A253 WeakPolarHBondContact OD2-CB 3.44Å; D219-A253 PolarHBondContact OD2-N 2.97Å; A253-A256 PolarHBondContact O-N 3.04Å; A253-S257 WeakPolarHBondContact O-CB 3.3Å; A253-S257 PolarHBondContact O-N 3.48Å; A253-S257 PolarHBondContact O-OG 2.98Å; A253-L305 HydrophobicContact CB-CD1 3.65Å; A253-L305 HydrophobicContact CB-CD2 3.66Å; A253-L305 HydrophobicContact CB-CG 4.28Å; A253-H444 WeakPolarHBondContact CB-O 3.31Å; A253-L445 WeakPolarHBondContact CB-O 3.15Å
254	L	97.1	Very high	93.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-35.8	174.6	179.6	63.5	0	0	0	111.9	D219 L222 I245 A256 S257 V258 M288 F304 Q442 L457	D219-L254 PolarHBondContact OD1-N 3.42Å; L222-L254 HydrophobicContact CD2-CD2 3.41Å; L222-L254 VanDerWaalsContact CD2-CD2 3.41Å; I245-L254 HydrophobicContact CD1-CB 4.28Å; I245-L254 HydrophobicContact CD1-CD2 3.11Å; I245-L254 HydrophobicContact CD1-CG 3.44Å; I245-L254 VanDerWaalsContact CD1-CG 3.44Å; I245-L254 HydrophobicContact CG1-CD2 4.42Å; L254-A256 VanDerWaalsContact C-N 3.33Å; L254-A256 PolarHBondContact O-N 3.19Å; L254-S257 WeakPolarHBondContact O-CB 3.28Å; L254-S257 PolarHBondContact O-N 3.1Å; L254-V258 HydrophobicContact CD1-CG2 4.12Å; L254-V258 HydrophobicContact CG-CG2 4.35Å; L254-V258 WeakPolarHBondContact O-CB 3.34Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 3.45Å; L254-M288 HydrophobicContact CD1-SD 3.93Å; L254-M288 HydrophobicContact CD2-CE 4.35Å; L254-M288 HydrophobicContact CD2-SD 3.85Å; L254-F304 HydrophobicContact CB-CD2 4.07Å; L254-F304 HydrophobicContact CB-CE2 3.69Å; L254-F304 HydrophobicContact CD2-CD2 3.49Å; L254-F304 VanDerWaalsContact CD2-CD2 3.49Å; L254-F304 HydrophobicContact CD2-CE2 3.7Å; L254-F304 HydrophobicContact CD2-CG 4.41Å; L254-F304 HydrophobicContact CG-CD2 4.27Å; L254-F304 HydrophobicContact CG-CE2 4.3Å; L254-Q442 HydrophobicContact CD1-CB 4.49Å; L254-Q442 HydrophobicContact CD1-CG 3.73Å; L254-L457 HydrophobicContact CD1-CD2 4.43Å
255	A	97.3	Very high	93.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-43.8	174.1	0	0	0	0	0	111.5	I245 P247 N252 H259 L272	I245-A255 HydrophobicContact CG2-CB 3.92Å; P247-A255 HydrophobicContact CB-CB 4.06Å; P247-A255 HydrophobicContact CG-CB 4.31Å; N252-A255 HydrophobicContact CB-CB 4.29Å; N252-A255 PolarHBondContact O-N 3.14Å; A255-H259 WeakPolarHBondContact O-CB 3.25Å; A255-H259 PolarHBondContact O-N 2.85Å; A255-L272 HydrophobicContact CB-CD2 4.39Å
256	A	97.1	Very high	92.8	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-40.1	174.6	0	0	0	0	0	112.1	N252 A253 L254 H259 Y260 L272 H444	N252-A256 PolarHBondContact O-N 2.83Å; A253-A256 PolarHBondContact O-N 3.04Å; L254-A256 VanDerWaalsContact C-N 3.33Å; L254-A256 PolarHBondContact O-N 3.19Å; A256-H259 PolarHBondContact O-N 3.49Å; A256-Y260 WeakPolarHBondContact O-CB 3.33Å; A256-Y260 PolarHBondContact O-N 3.32Å; A256-L272 HydrophobicContact CB-CD2 4.37Å; A256-H444 HydrophobicContact CB-CB 4.02Å
257	S	97.6	Very high	92.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-50.2	176.2	-60.5	0	0	0	0	112.1	A253 L254 H259 Y260 Y261 Q442 S443 H444	A253-S257 WeakPolarHBondContact O-CB 3.3Å; A253-S257 PolarHBondContact O-N 3.48Å; A253-S257 PolarHBondContact O-OG 2.98Å; L254-S257 WeakPolarHBondContact O-CB 3.28Å; L254-S257 PolarHBondContact O-N 3.1Å; S257-H259 VanDerWaalsContact C-N 3.29Å; S257-H259 PolarHBondContact O-N 3.08Å; S257-Y260 WeakPolarHBondContact O-CB 3.41Å; S257-Y260 PolarHBondContact O-N 2.81Å; S257-Y260 VanDerWaalsContact O-N 3.11Å; S257-Y261 WeakPolarHBondContact O-CD2 3.36Å; S257-Y261 WeakPolarHBondContact O-CE2 3.38Å; S257-Y261 PolarHBondContact O-N 3.26Å; S257-Q442 WeakPolarHBondContact OG-CB 3.43Å; S257-S443 WeakPolarHBondContact CA-OG 3.47Å; S257-S443 WeakPolarHBondContact CB-OG 3.23Å; S257-S443 PolarHBondContact OG-N 2.78Å; S257-S443 PolarHBondContact OG-OG 3.01Å; S257-H444 WeakPolarHBondContact OG-CB 3.43Å; S257-H444 PolarHBondContact OG-N 2.74Å
258	V	96.4	Very high	92.3	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-56.1	-45.5	175.8	163.6	0	0	0	0	111	L254 Y260 Y261 S262 L279 L457 V538	L254-V258 HydrophobicContact CD1-CG2 4.12Å; L254-V258 HydrophobicContact CG-CG2 4.35Å; L254-V258 WeakPolarHBondContact O-CB 3.34Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 3.45Å; V258-Y260 VanDerWaalsContact C-N 3.35Å; V258-Y260 PolarHBondContact O-N 3.24Å; V258-Y261 PolarHBondContact O-N 3.03Å; V258-S262 PolarHBondContact O-N 2.72Å; V258-S262 VanDerWaalsContact O-N 3.16Å; V258-L279 HydrophobicContact CG1-CD1 3.95Å; V258-L457 HydrophobicContact CG2-CD2 4.37Å; V258-V538 HydrophobicContact CG2-CG2 4.2Å
259	H	95.8	Very high	92.3	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-39.4	177.1	-174.7	-88.8	0	0	0	112.8	A255 A256 S257 S262 S265 L272 S275	A255-H259 WeakPolarHBondContact O-CB 3.25Å; A255-H259 PolarHBondContact O-N 2.85Å; A256-H259 PolarHBondContact O-N 3.49Å; S257-H259 VanDerWaalsContact C-N 3.29Å; S257-H259 PolarHBondContact O-N 3.08Å; H259-S262 PolarHBondContact O-N 3.41Å; H259-S262 PolarHBondContact O-OG 3.05Å; H259-S265 PolarHBondContact CE1-O 2.93Å; H259-S265 VanDerWaalsContact CE1-O 3.25Å; H259-L272 HydrophobicContact CB-CD1 3.53Å; H259-S275 VanDerWaalsContact CD2-CB 3.4Å; H259-S275 WeakPolarHBondContact CD2-CB 3.43Å; H259-S275 PolarHBondContact CD2-OG 3.02Å; H259-S275 WeakPolarHBondContact NE2-CB 3.29Å; H259-S275 PolarHBondContact NE2-OG 3.31Å
260	Y	95.5	Very high	92.6	Very high	87 Å²	87	32.7 Å²	32.7	34%	0.341	19%	0.19	S	C	.	.	H	α-helix	trans	-62.9	-43	175.2	176	-104	0	0	0	111.7	A256 S257 V258 S262 G263 H444 L450	A256-Y260 WeakPolarHBondContact O-CB 3.33Å; A256-Y260 PolarHBondContact O-N 3.32Å; S257-Y260 WeakPolarHBondContact O-CB 3.41Å; S257-Y260 PolarHBondContact O-N 2.81Å; S257-Y260 VanDerWaalsContact O-N 3.11Å; V258-Y260 VanDerWaalsContact C-N 3.35Å; V258-Y260 PolarHBondContact O-N 3.24Å; Y260-S262 PolarHBondContact O-N 2.83Å; Y260-G263 PolarHBondContact O-N 3.02Å; Y260-H444 VanDerWaalsContact CB-CE1 3.42Å; Y260-H444 WeakPolarHBondContact CB-CE1 3.47Å; Y260-H444 AromaticContact CD2-CE1 3.96Å; Y260-H444 AromaticContact CG-CE1 3.62Å; Y260-L450 HydrophobicContact CE1-CD1 4.28Å; Y260-L450 HydrophobicContact CE2-CD2 4.06Å
261	Y	94.8	Very high	93	Very high	55 Å²	55	34 Å²	34	22%	0.216	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-24.7	177.4	-57.4	-35.8	0	0	0	113.5	S257 V258 G263 S443 A455 L457	S257-Y261 WeakPolarHBondContact O-CD2 3.36Å; S257-Y261 WeakPolarHBondContact O-CE2 3.38Å; S257-Y261 PolarHBondContact O-N 3.26Å; V258-Y261 PolarHBondContact O-N 3.03Å; Y261-G263 PolarHBondContact O-N 2.96Å; Y261-S443 VanDerWaalsContact OH-CB 3.31Å; Y261-S443 WeakPolarHBondContact OH-CB 3.31Å; Y261-S443 PolarHBondContact OH-N 3.36Å; Y261-S443 PolarHBondContact OH-OG 2.83Å; Y261-A455 WeakPolarHBondContact CE1-O 3.36Å; Y261-A455 PolarHBondContact OH-O 3.24Å; Y261-L457 HydrophobicContact CD2-CD1 4.23Å; Y261-L457 HydrophobicContact CD2-CD2 3.87Å; Y261-L457 HydrophobicContact CD2-CG 3.6Å; Y261-L457 HydrophobicContact CE2-CD2 3.76Å; Y261-L457 HydrophobicContact CE2-CG 3.77Å
262	S	90.6	Very high	93.5	Very high	14 Å²	14	33.3 Å²	33.3	10%	0.098	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.3	173.6	90	0	0	0	0	113	V258 H259 Y260 V264	V258-S262 PolarHBondContact O-N 2.72Å; V258-S262 VanDerWaalsContact O-N 3.16Å; H259-S262 PolarHBondContact O-N 3.41Å; H259-S262 PolarHBondContact O-OG 3.05Å; Y260-S262 PolarHBondContact O-N 2.83Å; S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 WeakPolarHBondContact OG-CG2 3.42Å
263	G	89.4	Confident	93.6	Very high	70 Å²	70	33.1 Å²	33.1	72%	0.722	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	13.9	178.5	0	0	0	0	0	114.3	Y260 Y261	Y260-G263 PolarHBondContact O-N 3.02Å; Y261-G263 PolarHBondContact O-N 2.96Å
264	V	87.8	Confident	93.7	Very high	25 Å²	25	34 Å²	34	15%	0.152	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-91.7	149	178.7	178.5	0	0	0	0	109.6	L89 S262 Q266	L89-V264 HydrophobicContact CD1-CG1 3.92Å; L89-V264 HydrophobicContact CD1-CG2 4.21Å; L89-V264 HydrophobicContact CD2-CG1 3.67Å; L89-V264 HydrophobicContact CG-CG1 4.46Å; S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 WeakPolarHBondContact OG-CG2 3.42Å; V264-Q266 PolarHBondContact O-N 3.48Å
265	S	88.5	Confident	93.6	Very high	64 Å²	64	34.1 Å²	34.1	45%	0.448	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-56.1	134.5	176.9	-56.2	0	0	0	0	111.8	H259 V267	H259-S265 PolarHBondContact CE1-O 2.93Å; H259-S265 VanDerWaalsContact CE1-O 3.25Å; S265-V267 PolarHBondContact O-N 3.28Å
266	Q	88.5	Confident	93.6	Very high	68 Å²	68	34.3 Å²	34.3	32%	0.318	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-54.7	132.2	-178.5	-170	179.9	-4.3	0	0	112.1	V264 E447	V264-Q266 PolarHBondContact O-N 3.48Å; Q266-E447 PolarHBondContact NE2-O 3.22Å
267	V	91.8	Very high	93.6	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.055	19%	0.193	C	C	.	.			trans	-132.5	164.1	175.9	-68.3	0	0	0	0	108.9	S265 E271 L272	S265-V267 PolarHBondContact O-N 3.28Å; V267-E271 HydrophobicContact CB-CB 3.83Å; V267-E271 HydrophobicContact CG1-CB 4.27Å; V267-E271 HydrophobicContact CG2-CB 4.25Å; V267-L272 HydrophobicContact CG2-CB 4.14Å; V267-L272 HydrophobicContact CG2-CD1 4.17Å
268	R	91.3	Very high	93.6	Very high	104 Å²	104	34.6 Å²	34.6	39%	0.392	20%	0.195	S	C	.	.			trans	-134.3	163	-174.1	-59.6	-175.5	-167.8	169.5	7.1	111.1	E270 E271 L272 E447 D448 E484	R268-E270 PolarHBondContact O-N 3.35Å; R268-E271 PolarHBondContact O-N 3.04Å; R268-L272 PolarHBondContact O-N 3.01Å; R268-E447 VanDerWaalsContact CA-OE2 3.3Å; R268-E447 WeakPolarHBondContact CA-OE2 3.29Å; R268-E447 VanDerWaalsContact CB-OE2 3.29Å; R268-E447 WeakPolarHBondContact CB-OE2 3.3Å; R268-E447 HydrophobicContact CG-CB 4.35Å; R268-D448 IonicContact NH1-OD2 3.59Å; R268-E484 IonicContact CZ-OE1 2.56Å; R268-E484 IonicContact NH1-OE1 2.65Å; R268-E484 IonicContact NH2-OE1 3.56Å; R268-E484 PolarHBondContact NH2-OE1 2.88Å
269	G	91.7	Very high	93.5	Very high	40 Å²	40	34.8 Å²	34.8	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	54.3	-130.8	174.9	0	0	0	0	0	113.8	E271 L272 L273 E447	G269-E271 PolarHBondContact O-N 3.03Å; G269-L272 WeakPolarHBondContact O-CB 3.26Å; G269-L272 PolarHBondContact O-N 3.47Å; G269-L272 VanDerWaalsContact O-N 3.12Å; G269-L273 PolarHBondContact O-N 2.88Å; G269-E447 PolarHBondContact N-OE2 2.93Å
270	E	92.9	Very high	93.5	Very high	105 Å²	105	35 Å²	35	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-59.4	-32.4	-177.8	-69.7	-179.4	-156.3	0	0	113.7	L171 H175 R268 L273 V274	L171-E270 HydrophobicContact CD2-CG 3.81Å; H175-E270 IonicContact CE1-OE2 2.74Å; H175-E270 IonicContact NE2-OE2 3.38Å; R268-E270 PolarHBondContact O-N 3.35Å; E270-L273 WeakPolarHBondContact O-CB 3.32Å; E270-L273 PolarHBondContact O-N 3.39Å; E270-V274 WeakPolarHBondContact O-CG2 3.32Å; E270-V274 PolarHBondContact O-N 3.39Å
271	E	94.1	Very high	93.5	Very high	39 Å²	39	30.9 Å²	30.9	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-69.4	-37.8	178.7	-63.8	-169.5	144.2	0	0	111.2	R92 S100 V267 R268 G269 S275	R92-E271 IonicContact CZ-OE1 3.66Å; R92-E271 IonicContact NE-OE1 3Å; R92-E271 IonicContact NH2-OE1 3.04Å; S100-E271 VanDerWaalsContact CB-CD 3.41Å; S100-E271 WeakPolarHBondContact CB-OE1 3.45Å; S100-E271 VanDerWaalsContact OG-CD 3.29Å; S100-E271 PolarHBondContact OG-OE1 3.15Å; V267-E271 HydrophobicContact CB-CB 3.83Å; V267-E271 HydrophobicContact CG1-CB 4.27Å; V267-E271 HydrophobicContact CG2-CB 4.25Å; R268-E271 PolarHBondContact O-N 3.04Å; G269-E271 PolarHBondContact O-N 3.03Å; E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 3.13Å
272	L	95.4	Very high	93.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-43.5	171.7	-173.8	65.4	0	0	0	110.6	P247 A255 A256 H259 V267 R268 G269 V274 S275 C276 E447	P247-L272 HydrophobicContact CB-CD2 4.28Å; P247-L272 HydrophobicContact CG-CB 4.3Å; P247-L272 HydrophobicContact CG-CD2 4.14Å; P247-L272 HydrophobicContact CG-CG 3.96Å; A255-L272 HydrophobicContact CB-CD2 4.39Å; A256-L272 HydrophobicContact CB-CD2 4.37Å; H259-L272 HydrophobicContact CB-CD1 3.53Å; V267-L272 HydrophobicContact CG2-CB 4.14Å; V267-L272 HydrophobicContact CG2-CD1 4.17Å; R268-L272 PolarHBondContact O-N 3.01Å; G269-L272 WeakPolarHBondContact O-CB 3.26Å; G269-L272 PolarHBondContact O-N 3.47Å; G269-L272 VanDerWaalsContact O-N 3.12Å; L272-V274 PolarHBondContact O-N 3.34Å; L272-S275 PolarHBondContact O-N 3.36Å; L272-S275 VanDerWaalsContact O-N 3.16Å; L272-C276 PolarHBondContact O-N 3.48Å; L272-C276 PolarHBondContact O-SG 3.11Å; L272-C276 VanDerWaalsContact O-SG 3.39Å; L272-E447 HydrophobicContact CD2-CG 3.9Å
273	L	96.5	Very high	93.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-49	176	176.6	62.7	0	0	0	112.4	L171 H175 I176 M216 L246 P247 G269 E270 S275 C276 G277	L171-L273 HydrophobicContact CB-CD2 3.72Å; L171-L273 HydrophobicContact CD1-CD2 4.24Å; L171-L273 HydrophobicContact CD2-CD2 4.06Å; L171-L273 HydrophobicContact CG-CD2 4.23Å; H175-L273 HydrophobicContact CB-CD2 4.47Å; I176-L273 HydrophobicContact CD1-CD1 3.69Å; I176-L273 HydrophobicContact CD1-CG 3.91Å; I176-L273 HydrophobicContact CG1-CD1 3.85Å; I176-L273 HydrophobicContact CG1-CD2 4.37Å; I176-L273 HydrophobicContact CG1-CG 4.2Å; M216-L273 HydrophobicContact CE-CD1 3.95Å; M216-L273 HydrophobicContact CE-CD2 4Å; L246-L273 HydrophobicContact CB-CD1 3.89Å; L246-L273 HydrophobicContact CD2-CD1 4.39Å; P247-L273 HydrophobicContact CG-CB 3.94Å; P247-L273 HydrophobicContact CG-CD1 4.26Å; G269-L273 PolarHBondContact O-N 2.88Å; E270-L273 WeakPolarHBondContact O-CB 3.32Å; E270-L273 PolarHBondContact O-N 3.39Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.41Å; L273-C276 PolarHBondContact O-N 2.84Å; L273-G277 PolarHBondContact O-N 3.2Å
274	V	96.6	Very high	93.4	Very high	19 Å²	19	25.5 Å²	25.5	12%	0.115	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-37.3	178.6	171.8	0	0	0	0	111	Y87 R101 H175 M179 E270 L272 F278	Y87-V274 HydrophobicContact CD1-CG1 3.85Å; Y87-V274 HydrophobicContact CE1-CG1 3.99Å; R101-V274 HydrophobicContact CB-CG1 4.02Å; H175-V274 HydrophobicContact CB-CG2 4.44Å; M179-V274 HydrophobicContact CE-CB 4.49Å; M179-V274 HydrophobicContact CE-CG1 3.91Å; M179-V274 WeakPolarHBondContact CE-O 3.42Å; E270-V274 WeakPolarHBondContact O-CG2 3.32Å; E270-V274 PolarHBondContact O-N 3.39Å; L272-V274 PolarHBondContact O-N 3.34Å; V274-F278 WeakPolarHBondContact O-CB 3.37Å; V274-F278 PolarHBondContact O-N 2.96Å
275	S	96.4	Very high	93.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-47.3	177.4	-154.4	0	0	0	0	111.9	H259 E271 L272 L273 G277 F278 L279	H259-S275 VanDerWaalsContact CD2-CB 3.4Å; H259-S275 WeakPolarHBondContact CD2-CB 3.43Å; H259-S275 PolarHBondContact CD2-OG 3.02Å; H259-S275 WeakPolarHBondContact NE2-CB 3.29Å; H259-S275 PolarHBondContact NE2-OG 3.31Å; E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 3.13Å; L272-S275 PolarHBondContact O-N 3.36Å; L272-S275 VanDerWaalsContact O-N 3.16Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.41Å; S275-G277 VanDerWaalsContact C-N 3.34Å; S275-G277 PolarHBondContact O-N 3.45Å; S275-F278 WeakPolarHBondContact O-CB 3.4Å; S275-F278 PolarHBondContact O-N 3.26Å; S275-F278 VanDerWaalsContact O-N 3.11Å; S275-L279 WeakPolarHBondContact O-CG 3.45Å; S275-L279 PolarHBondContact O-N 3.41Å
276	C	97.3	Very high	94	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.034	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-38.9	174.6	-67.5	0	0	0	0	112.3	I245 L246 L272 L273 F278 L279 L280	I245-C276 WeakPolarHBondContact O-CB 3.35Å; L246-C276 HydrophobicContact CD2-CB 4.19Å; L272-C276 PolarHBondContact O-N 3.48Å; L272-C276 PolarHBondContact O-SG 3.11Å; L272-C276 VanDerWaalsContact O-SG 3.39Å; L273-C276 PolarHBondContact O-N 2.84Å; C276-F278 VanDerWaalsContact C-N 3.3Å; C276-F278 PolarHBondContact O-N 2.91Å; C276-L279 PolarHBondContact O-N 2.84Å; C276-L280 WeakPolarHBondContact O-CB 3.19Å; C276-L280 PolarHBondContact O-N 2.95Å
277	G	97.3	Very high	94.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-39.8	172.3	0	0	0	0	0	112.4	M179 L273 S275 L280 C281	M179-G277 VanDerWaalsContact SD-O 3.35Å; L273-G277 PolarHBondContact O-N 3.2Å; S275-G277 VanDerWaalsContact C-N 3.34Å; S275-G277 PolarHBondContact O-N 3.45Å; G277-L280 WeakPolarHBondContact O-CB 3.26Å; G277-L280 PolarHBondContact O-N 3.08Å; G277-C281 PolarHBondContact O-N 2.69Å; G277-C281 PolarHBondContact O-SG 3.25Å
278	F	96.4	Very high	94.6	Very high	9 Å²	9	24.2 Å²	24.2	4%	0.039	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-47.4	173.9	169.5	-94.5	0	0	0	111.3	R62 V65 Y87 M179 V274 S275 C276 L280 C281 R282	R62-F278 WeakPolarHBondContact O-CZ 3.4Å; V65-F278 HydrophobicContact CG1-CD2 3.4Å; V65-F278 VanDerWaalsContact CG1-CD2 3.4Å; V65-F278 HydrophobicContact CG1-CE2 3.74Å; Y87-F278 HydrophobicContact CD2-CD2 4.47Å; Y87-F278 HydrophobicContact CG-CD2 4.29Å; M179-F278 PolarHBondContact SD-N 3.22Å; M179-F278 VanDerWaalsContact SD-N 3.39Å; V274-F278 WeakPolarHBondContact O-CB 3.37Å; V274-F278 PolarHBondContact O-N 2.96Å; S275-F278 WeakPolarHBondContact O-CB 3.4Å; S275-F278 PolarHBondContact O-N 3.26Å; S275-F278 VanDerWaalsContact O-N 3.11Å; C276-F278 VanDerWaalsContact C-N 3.3Å; C276-F278 PolarHBondContact O-N 2.91Å; F278-L280 VanDerWaalsContact C-N 3.29Å; F278-L280 PolarHBondContact O-N 3.13Å; F278-C281 PolarHBondContact O-N 3.39Å; F278-C281 VanDerWaalsContact O-N 3.15Å; F278-R282 HydrophobicContact CD1-CG 4.31Å; F278-R282 HydrophobicContact CE1-CG 3.85Å; F278-R282 HydrophobicContact CE2-CG 4.15Å; F278-R282 HydrophobicContact CZ-CG 3.76Å; F278-R282 WeakPolarHBondContact O-CG 3.43Å; F278-R282 PolarHBondContact O-N 2.9Å
279	L	95.4	Very high	94.9	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.052	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-40.8	176.9	-57.8	172.2	0	0	0	111.3	V258 S275 C276 C281 R282 G283	V258-L279 HydrophobicContact CG1-CD1 3.95Å; S275-L279 WeakPolarHBondContact O-CG 3.45Å; S275-L279 PolarHBondContact O-N 3.41Å; C276-L279 PolarHBondContact O-N 2.84Å; L279-C281 PolarHBondContact O-N 3.19Å; L279-R282 WeakPolarHBondContact O-CB 3.38Å; L279-R282 PolarHBondContact O-N 2.85Å; L279-R282 VanDerWaalsContact O-N 3.13Å; L279-G283 PolarHBondContact O-N 3.25Å
280	L	95.8	Very high	95.2	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.037	9%	0.09	C	C	.	.	H	α-helix	trans	-56.9	-47.9	173.6	172.7	60.4	0	0	0	111.9	I155 L180 V214 L246 C276 G277 F278 R282 G283 I539	I155-L280 HydrophobicContact CD1-CD2 4.35Å; L180-L280 HydrophobicContact CD2-CD2 3.88Å; L180-L280 HydrophobicContact CD2-CG 4.32Å; V214-L280 HydrophobicContact CG1-CD2 3.81Å; V214-L280 HydrophobicContact CG2-CD1 3.69Å; V214-L280 HydrophobicContact CG2-CD2 4.07Å; L246-L280 HydrophobicContact CD1-CD2 4.03Å; L246-L280 HydrophobicContact CD2-CD2 4.17Å; L246-L280 HydrophobicContact CG-CD2 4.32Å; C276-L280 WeakPolarHBondContact O-CB 3.19Å; C276-L280 PolarHBondContact O-N 2.95Å; G277-L280 WeakPolarHBondContact O-CB 3.26Å; G277-L280 PolarHBondContact O-N 3.08Å; F278-L280 VanDerWaalsContact C-N 3.29Å; F278-L280 PolarHBondContact O-N 3.13Å; L280-R282 PolarHBondContact O-N 3.24Å; L280-G283 WeakPolarHBondContact O-CA 3.49Å; L280-G283 PolarHBondContact O-N 3.46Å; L280-I539 HydrophobicContact CD1-CD1 3.48Å; L280-I539 VanDerWaalsContact CD1-CD1 3.48Å
281	C	94.2	Very high	95.5	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-66.5	-26.6	177.9	-63.6	0	0	0	0	112.8	V65 A183 G277 F278 L279 G283	V65-C281 HydrophobicContact CB-CB 4.08Å; V65-C281 HydrophobicContact CG1-CB 3.98Å; A183-C281 HydrophobicContact CB-CB 3.78Å; G277-C281 PolarHBondContact O-N 2.69Å; G277-C281 PolarHBondContact O-SG 3.25Å; F278-C281 PolarHBondContact O-N 3.39Å; F278-C281 VanDerWaalsContact O-N 3.15Å; L279-C281 PolarHBondContact O-N 3.19Å; C281-G283 VanDerWaalsContact C-N 3.33Å
282	R	90.5	Very high	95.7	Very high	16 Å²	16	10.8 Å²	10.8	6%	0.06	6%	0.058	C	C	.	.	H	α-helix	trans	-75.1	-26.3	172.7	-61.8	-65.5	-73.8	174.3	-7.2	111.9	R62 C64 S134 F278 L279 L280 L284	R62-R282 VanDerWaalsContact O-CZ 3.28Å; R62-R282 PolarHBondContact O-NE 3.49Å; R62-R282 PolarHBondContact O-NH2 3.07Å; C64-R282 PolarHBondContact O-NH1 3.31Å; S134-R282 PolarHBondContact OG-NH1 3.41Å; F278-R282 HydrophobicContact CD1-CG 4.31Å; F278-R282 HydrophobicContact CE1-CG 3.85Å; F278-R282 HydrophobicContact CE2-CG 4.15Å; F278-R282 HydrophobicContact CZ-CG 3.76Å; F278-R282 WeakPolarHBondContact O-CG 3.43Å; F278-R282 PolarHBondContact O-N 2.9Å; L279-R282 WeakPolarHBondContact O-CB 3.38Å; L279-R282 PolarHBondContact O-N 2.85Å; L279-R282 VanDerWaalsContact O-N 3.13Å; L280-R282 PolarHBondContact O-N 3.24Å; R282-L284 VanDerWaalsContact C-N 3.26Å; R282-L284 PolarHBondContact O-N 3.43Å
283	G	92	Very high	95.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.01	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	22.1	169	0	0	0	0	0	114.8	S148 L149 L279 L280 C281	S148-G283 CarbonylContact C-O 3.57Å; S148-G283 VanDerWaalsContact CA-O 3.25Å; S148-G283 WeakPolarHBondContact CA-O 3.07Å; L149-G283 PolarHBondContact N-O 3.03Å; L279-G283 PolarHBondContact O-N 3.25Å; L280-G283 WeakPolarHBondContact O-CA 3.49Å; L280-G283 PolarHBondContact O-N 3.46Å; C281-G283 VanDerWaalsContact C-N 3.33Å
284	L	91.4	Very high	95.9	Very high	9 Å²	9	12.6 Å²	12.6	5%	0.047	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-79.8	127.9	176.8	-62.1	178.7	0	0	0	110.1	Q138 L146 R282 I539 S540 G541	Q138-L284 HydrophobicContact CB-CD2 4.38Å; L146-L284 HydrophobicContact CB-CD2 3.95Å; L146-L284 HydrophobicContact CD1-CD1 4.13Å; L146-L284 HydrophobicContact CD1-CD2 4.38Å; R282-L284 VanDerWaalsContact C-N 3.26Å; R282-L284 PolarHBondContact O-N 3.43Å; L284-I539 CarbonylContact O-C 3.5Å; L284-I539 VanDerWaalsContact O-CA 3.32Å; L284-I539 WeakPolarHBondContact O-CA 3.31Å; L284-S540 PolarHBondContact O-N 3.44Å; L284-G541 WeakPolarHBondContact CD1-OXT 3.45Å; L284-G541 PolarHBondContact O-N 3.25Å
285	V	93.6	Very high	95.8	Very high	11 Å²	11	11.8 Å²	11.8	7%	0.067	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.9	-170.4	-177.8	0	0	0	0	110.1	N147 L149 P242 R537 V538 I539	N147-V285 HydrophobicContact CB-CB 4.24Å; N147-V285 PolarHBondContact O-N 2.86Å; L149-V285 HydrophobicContact CD2-CG2 4.07Å; L149-V285 HydrophobicContact CG-CG2 4.19Å; P242-V285 HydrophobicContact CB-CG1 4.23Å; P242-V285 HydrophobicContact CB-CG2 4.14Å; P242-V285 HydrophobicContact CG-CG1 4.35Å; P242-V285 HydrophobicContact CG-CG2 4.31Å; V285-R537 HydrophobicContact CG1-CB 3.78Å; V285-R537 HydrophobicContact CG1-CG 4.41Å; V285-V538 WeakPolarHBondContact CA-O 3.41Å; V285-I539 HydrophobicContact CG2-CG1 4.34Å
286	S	94.3	Very high	95.7	Very high	37 Å²	37	14 Å²	14	26%	0.259	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.7	173.5	-63.7	0	0	0	0	110.5	R537 V538 S540	S286-R537 CarbonylContact O-C 3.53Å; S286-R537 WeakPolarHBondContact O-CA 3.29Å; S286-V538 PolarHBondContact N-O 3.42Å; S286-V538 PolarHBondContact O-N 2.8Å; S286-S540 WeakPolarHBondContact CB-OG 3.22Å; S286-S540 PolarHBondContact OG-OG 3.39Å
287	H	95.7	Very high	95.4	Very high	89 Å²	89	17.4 Å²	17.4	41%	0.412	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	148.9	166	-75.9	-86.6	0	0	0	110.3	L457 A458 G534 G536	H287-L457 VanDerWaalsContact O-CB 3.31Å; H287-L457 WeakPolarHBondContact O-CB 3.34Å; H287-A458 HydrophobicContact CB-CB 4.19Å; H287-G534 PolarHBondContact ND1-O 2.8Å; H287-G536 CarbonylContact C-O 3.54Å; H287-G536 WeakPolarHBondContact CA-O 3.23Å
288	M	96.8	Very high	95.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.9	177.1	-171.1	177	72.9	0	0	109.9	I226 L254 L290 F304 L457 G534 L535 G536 V538	I226-M288 HydrophobicContact CD1-CE 4.32Å; L254-M288 HydrophobicContact CD1-SD 3.93Å; L254-M288 HydrophobicContact CD2-CE 4.35Å; L254-M288 HydrophobicContact CD2-SD 3.85Å; M288-L290 HydrophobicContact CE-CD2 3.84Å; M288-F304 HydrophobicContact CE-CB 3.8Å; M288-L457 CarbonylContact C-O 3.28Å; M288-L457 VanDerWaalsContact CA-O 3.27Å; M288-L457 WeakPolarHBondContact CA-O 3.4Å; M288-L457 HydrophobicContact CG-CD2 4.16Å; M288-L457 HydrophobicContact SD-CD2 4.31Å; M288-G534 CarbonylContact O-C 3.59Å; M288-L535 PolarHBondContact O-N 2.81Å; M288-G536 PolarHBondContact N-O 3.01Å; M288-G536 PolarHBondContact O-N 2.93Å; M288-V538 HydrophobicContact CB-CG1 4.12Å; M288-V538 HydrophobicContact SD-CB 4.25Å; M288-V538 HydrophobicContact SD-CG1 4.25Å
289	D	98	Very high	95	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	143.9	173.2	-64.7	-14.2	0	0	0	110.2	L457 A458 D459 G460 V531 H532 A533 G534	D289-L457 PolarHBondContact N-O 2.91Å; D289-A458 VanDerWaalsContact CG-CA 3.47Å; D289-A458 WeakPolarHBondContact OD1-CA 3.47Å; D289-A458 WeakPolarHBondContact OD1-CB 3.24Å; D289-A458 WeakPolarHBondContact OD2-CA 3.35Å; D289-D459 PolarHBondContact OD2-N 3.43Å; D289-G460 VanDerWaalsContact OD2-CA 3.27Å; D289-G460 WeakPolarHBondContact OD2-CA 3.25Å; D289-G460 PolarHBondContact OD2-N 3.39Å; D289-V531 HydrophobicContact CB-CG2 3.93Å; D289-H532 WeakPolarHBondContact CA-O 3.34Å; D289-A533 WeakPolarHBondContact OD1-CA 3.48Å; D289-G534 PolarHBondContact OD1-N 2.82Å
290	L	98.5	Very high	95	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145	168	-64.6	179.3	0	0	0	108.1	I226 L230 V239 M288 F304 H532 L535	I226-L290 HydrophobicContact CD1-CD2 4.1Å; I226-L290 HydrophobicContact CG2-CD1 4.01Å; I226-L290 HydrophobicContact CG2-CD2 4.24Å; L230-L290 HydrophobicContact CD1-CD1 4Å; V239-L290 HydrophobicContact CG2-CD1 3.97Å; M288-L290 HydrophobicContact CE-CD2 3.84Å; L290-F304 HydrophobicContact CD2-CB 3.68Å; L290-H532 PolarHBondContact N-O 2.83Å; L290-H532 WeakPolarHBondContact O-CA 3.45Å; L290-H532 WeakPolarHBondContact O-CB 3.5Å; L290-H532 PolarHBondContact O-N 2.86Å; L290-L535 HydrophobicContact CB-CB 4.22Å; L290-L535 HydrophobicContact CB-CD2 4.04Å; L290-L535 HydrophobicContact CD1-CB 4.32Å; L290-L535 HydrophobicContact CD1-CD2 4.04Å; L290-L535 HydrophobicContact CD1-CG 4.14Å; L290-L535 HydrophobicContact CG-CB 4.34Å
291	V	98.6	Very high	95	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.2	-179.4	172.5	0	0	0	0	108.6	L293 F302 S303 H441 I462 A529 E530 V531	V291-L293 HydrophobicContact CG1-CD1 4.27Å; V291-L293 HydrophobicContact CG1-CG 4.4Å; V291-L293 VanDerWaalsContact O-CD1 3.25Å; V291-L293 WeakPolarHBondContact O-CD1 3.21Å; V291-F302 CarbonylContact O-C 3.49Å; V291-F302 VanDerWaalsContact O-CA 3.3Å; V291-F302 WeakPolarHBondContact O-CA 3.23Å; V291-S303 PolarHBondContact N-O 2.98Å; V291-S303 PolarHBondContact O-N 3.23Å; V291-H441 VanDerWaalsContact CB-CD2 3.47Å; V291-H441 WeakPolarHBondContact CB-CD2 3.45Å; V291-H441 VanDerWaalsContact CB-NE2 3.31Å; V291-H441 WeakPolarHBondContact CB-NE2 3.29Å; V291-H441 WeakPolarHBondContact CG2-CD2 2.94Å; V291-H441 WeakPolarHBondContact CG2-NE2 3.5Å; V291-I462 HydrophobicContact CG1-CD1 3.95Å; V291-I462 HydrophobicContact CG2-CD1 4.08Å; V291-I462 HydrophobicContact CG2-CG1 3.96Å; V291-A529 HydrophobicContact CG1-CB 3.65Å; V291-E530 CarbonylContact C-O 3.58Å; V291-E530 VanDerWaalsContact CA-O 3.31Å; V291-E530 WeakPolarHBondContact CA-O 3.41Å; V291-V531 HydrophobicContact CG2-CB 4.05Å; V291-V531 HydrophobicContact CG2-CG2 4.05Å
292	S	98.5	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.9	171.4	174.3	0	0	0	0	109.1	R300 D412 A529 E530	S292-R300 PolarHBondContact OG-NE 2.85Å; S292-R300 PolarHBondContact OG-NH2 3.24Å; S292-D412 WeakPolarHBondContact CB-OD1 3.27Å; S292-D412 VanDerWaalsContact OG-CG 3.28Å; S292-D412 PolarHBondContact OG-OD1 2.89Å; S292-D412 VanDerWaalsContact OG-OD1 3.07Å; S292-D412 PolarHBondContact OG-OD2 3.05Å; S292-A529 CarbonylContact O-C 3.53Å; S292-A529 WeakPolarHBondContact O-CA 3.44Å; S292-E530 PolarHBondContact N-O 3.46Å; S292-E530 PolarHBondContact O-N 2.96Å
293	L	98.3	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.7	176.5	-59.1	95.8	0	0	0	111.1	V291 R300 L301 L307 V517 I527 Q528 A529	V291-L293 HydrophobicContact CG1-CD1 4.27Å; V291-L293 HydrophobicContact CG1-CG 4.4Å; V291-L293 VanDerWaalsContact O-CD1 3.25Å; V291-L293 WeakPolarHBondContact O-CD1 3.21Å; L293-R300 VanDerWaalsContact O-CA 3.27Å; L293-R300 WeakPolarHBondContact O-CA 3.21Å; L293-L301 PolarHBondContact N-O 2.94Å; L293-L301 PolarHBondContact O-N 2.71Å; L293-L307 HydrophobicContact CD2-CB 4.19Å; L293-L307 HydrophobicContact CD2-CD1 4.18Å; L293-L307 HydrophobicContact CD2-CD2 4.02Å; L293-L307 HydrophobicContact CD2-CG 4.36Å; L293-V517 HydrophobicContact CD1-CG1 4.13Å; L293-V517 HydrophobicContact CD2-CG1 4.3Å; L293-V517 HydrophobicContact CD2-CG2 3.89Å; L293-I527 HydrophobicContact CB-CD1 4.4Å; L293-I527 HydrophobicContact CD2-CD1 3.74Å; L293-I527 HydrophobicContact CD2-CG1 4.39Å; L293-Q528 CarbonylContact C-O 3.59Å; L293-Q528 VanDerWaalsContact CA-O 3.29Å; L293-Q528 WeakPolarHBondContact CA-O 3.48Å; L293-A529 HydrophobicContact CD2-CB 4.24Å; L293-A529 HydrophobicContact CG-CB 4.03Å
294	H	97.6	Very high	95.8	Very high	38 Å²	38	24 Å²	24	18%	0.176	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.6	173.3	-70.1	-118.5	0	0	0	109.7	D412 I527 Q528	H294-D412 IonicContact CD2-OD2 3.54Å; H294-D412 IonicContact CE1-OD2 3.62Å; H294-D412 IonicContact NE2-OD2 2.84Å; H294-D412 PolarHBondContact NE2-OD2 2.94Å; H294-I527 WeakPolarHBondContact O-CA 3.49Å; H294-Q528 HydrophobicContact CB-CG 3.86Å; H294-Q528 PolarHBondContact N-O 3.06Å; H294-Q528 PolarHBondContact O-N 3.08Å
295	L	96.1	Very high	96.1	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	163	176.2	-54.6	-170.6	0	0	0	111.7	S297 G298 Q299 L301 L418 V522 E523 I527	L295-S297 VanDerWaalsContact C-N 3.26Å; L295-S297 PolarHBondContact O-N 3.01Å; L295-G298 PolarHBondContact O-N 3.23Å; L295-Q299 HydrophobicContact CB-CB 4.4Å; L295-Q299 HydrophobicContact CD1-CB 4.22Å; L295-Q299 HydrophobicContact CG-CB 4.46Å; L295-Q299 PolarHBondContact N-O 3.29Å; L295-L301 HydrophobicContact CD1-CD1 3.76Å; L295-L301 HydrophobicContact CD2-CD1 4.42Å; L295-L301 HydrophobicContact CG-CD1 4.19Å; L295-L418 WeakPolarHBondContact O-CD1 3.34Å; L295-V522 HydrophobicContact CD1-CB 4.12Å; L295-V522 HydrophobicContact CD2-CB 4.3Å; L295-V522 HydrophobicContact CD2-CG2 4.27Å; L295-E523 HydrophobicContact CD1-CB 4.31Å; L295-I527 HydrophobicContact CD2-CD1 3.43Å; L295-I527 VanDerWaalsContact CD2-CD1 3.43Å; L295-I527 HydrophobicContact CD2-CG1 3.89Å
296	S	92.6	Very high	96.3	Very high	49 Å²	49	23.3 Å²	23.3	34%	0.343	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29	176.9	45.4	0	0	0	0	114.4	G298 E523 P526	S296-G298 PolarHBondContact O-N 3.44Å; S296-E523 PolarHBondContact OG-OE1 2.56Å; S296-E523 PolarHBondContact OG-OE2 3.21Å; S296-P526 PolarHBondContact N-O 3.21Å
297	S	91.9	Very high	96.5	Very high	75 Å²	75	21.6 Å²	21.6	52%	0.524	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.8	171.5	46.9	0	0	0	0	114.6	L295 Q299 E523	L295-S297 VanDerWaalsContact C-N 3.26Å; L295-S297 PolarHBondContact O-N 3.01Å; S297-Q299 VanDerWaalsContact C-N 3.28Å; S297-E523 WeakPolarHBondContact CA-OE2 3.42Å; S297-E523 WeakPolarHBondContact CB-OE2 3.37Å; S297-E523 PolarHBondContact N-OE2 2.93Å; S297-E523 PolarHBondContact OG-OE2 2.9Å
298	G	91.6	Very high	96.7	Very high	47 Å²	47	17.4 Å²	17.4	49%	0.485	11%	0.107	S	C	.	.	S	Bend	trans	82.7	4	-170.6	0	0	0	0	0	113.6	L295 S296	L295-G298 PolarHBondContact O-N 3.23Å; S296-G298 PolarHBondContact O-N 3.44Å
299	Q	93.3	Very high	96.8	Very high	91 Å²	91	17.4 Å²	17.4	43%	0.425	11%	0.107	S	C	.	.			trans	-69.4	137.1	171.4	-175.2	175.7	33.3	0	0	110.4	L295 S297 L301	L295-Q299 HydrophobicContact CB-CB 4.4Å; L295-Q299 HydrophobicContact CD1-CB 4.22Å; L295-Q299 HydrophobicContact CG-CB 4.46Å; L295-Q299 PolarHBondContact N-O 3.29Å; S297-Q299 VanDerWaalsContact C-N 3.28Å; Q299-L301 HydrophobicContact CG-CD2 4.08Å; Q299-L301 HydrophobicContact CG-CG 4.22Å
300	R	95.6	Very high	96.7	Very high	30 Å²	30	17.2 Å²	17.2	11%	0.113	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.1	171	-173.5	-178.5	-171.6	-167.1	7.1	110.6	S292 L293 L407 P408 P410 D412	S292-R300 PolarHBondContact OG-NE 2.85Å; S292-R300 PolarHBondContact OG-NH2 3.24Å; L293-R300 VanDerWaalsContact O-CA 3.27Å; L293-R300 WeakPolarHBondContact O-CA 3.21Å; R300-L407 HydrophobicContact CB-CD1 4.03Å; R300-P408 PolarHBondContact NH1-O 3.39Å; R300-P410 VanDerWaalsContact CZ-O 3.22Å; R300-P410 PolarHBondContact NH1-O 3.3Å; R300-P410 PolarHBondContact NH2-O 3.49Å; R300-D412 IonicContact CZ-OD2 3.38Å; R300-D412 VanDerWaalsContact CZ-OD2 3.23Å; R300-D412 IonicContact NE-OD2 2.77Å; R300-D412 PolarHBondContact NE-OD2 3.01Å; R300-D412 IonicContact NH2-OD1 3.42Å; R300-D412 PolarHBondContact NH2-OD1 3.2Å; R300-D412 IonicContact NH2-OD2 3.19Å; R300-D412 PolarHBondContact NH2-OD2 3.04Å
301	L	96.1	Very high	96.7	Very high	8 Å²	8	17.2 Å²	17.2	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161.9	-179.7	-58.3	170.1	0	0	0	109.6	L293 L295 Q299 V522	L293-L301 PolarHBondContact N-O 2.94Å; L293-L301 PolarHBondContact O-N 2.71Å; L295-L301 HydrophobicContact CD1-CD1 3.76Å; L295-L301 HydrophobicContact CD2-CD1 4.42Å; L295-L301 HydrophobicContact CG-CD1 4.19Å; Q299-L301 HydrophobicContact CG-CD2 4.08Å; Q299-L301 HydrophobicContact CG-CG 4.22Å; L301-V522 HydrophobicContact CD1-CG1 3.82Å
302	F	98.2	Very high	96.6	Very high	8 Å²	8	17.6 Å²	17.6	4%	0.035	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.6	172.5	-66.3	-92.9	0	0	0	111.3	I226 N227 L230 V291 L535	I226-F302 HydrophobicContact CG2-CB 4.28Å; N227-F302 PolarHBondContact ND2-O 3.25Å; N227-F302 PolarHBondContact OD1-N 3.1Å; L230-F302 HydrophobicContact CB-CD2 3.86Å; L230-F302 HydrophobicContact CB-CE2 3.92Å; L230-F302 HydrophobicContact CD1-CB 3.67Å; L230-F302 HydrophobicContact CD1-CD1 3.72Å; L230-F302 HydrophobicContact CD1-CD2 3.46Å; L230-F302 VanDerWaalsContact CD1-CD2 3.46Å; L230-F302 HydrophobicContact CD1-CE1 4.19Å; L230-F302 HydrophobicContact CD1-CE2 3.96Å; L230-F302 HydrophobicContact CD1-CG 3.32Å; L230-F302 HydrophobicContact CD1-CZ 4.3Å; L230-F302 HydrophobicContact CD2-CE2 4.41Å; L230-F302 HydrophobicContact CD2-CZ 4.4Å; L230-F302 HydrophobicContact CG-CD2 4.18Å; L230-F302 HydrophobicContact CG-CE2 4.32Å; L230-F302 HydrophobicContact CG-CG 4.46Å; V291-F302 CarbonylContact O-C 3.49Å; V291-F302 VanDerWaalsContact O-CA 3.3Å; V291-F302 WeakPolarHBondContact O-CA 3.23Å; F302-L535 HydrophobicContact CE1-CD2 4.5Å
303	S	98.3	Very high	96.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.7	-179.9	172.7	0	0	0	0	110.3	V291 S306 H441 D518	V291-S303 PolarHBondContact N-O 2.98Å; V291-S303 PolarHBondContact O-N 3.23Å; S303-S306 PolarHBondContact OG-N 3.42Å; S303-S306 PolarHBondContact OG-O 3Å; S303-H441 WeakPolarHBondContact CB-NE2 3.4Å; S303-H441 PolarHBondContact OG-CD2 2.91Å; S303-H441 VanDerWaalsContact OG-CD2 3.31Å; S303-H441 PolarHBondContact OG-NE2 3.14Å; S303-D518 WeakPolarHBondContact CA-OD2 3.47Å; S303-D518 PolarHBondContact OG-OD1 3.43Å
304	F	97.9	Very high	96.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-110.7	-16.5	173.6	67	-90.8	0	0	0	113	D219 L222 H223 I226 L254 M288 L290 H441 Q442 D518	D219-F304 HydrophobicContact CB-CE2 4.45Å; D219-F304 HydrophobicContact CB-CZ 3.89Å; D219-F304 WeakPolarHBondContact O-CZ 3.23Å; L222-F304 HydrophobicContact CB-CE1 4.04Å; L222-F304 HydrophobicContact CB-CZ 3.98Å; L222-F304 HydrophobicContact CD2-CD1 4.35Å; L222-F304 HydrophobicContact CD2-CD2 4.07Å; L222-F304 HydrophobicContact CD2-CE1 4.01Å; L222-F304 HydrophobicContact CD2-CE2 3.7Å; L222-F304 HydrophobicContact CD2-CG 4.35Å; L222-F304 HydrophobicContact CD2-CZ 3.67Å; L222-F304 HydrophobicContact CG-CD1 4.28Å; L222-F304 HydrophobicContact CG-CE1 3.88Å; L222-F304 HydrophobicContact CG-CE2 4.46Å; L222-F304 HydrophobicContact CG-CZ 3.97Å; H223-F304 HydrophobicContact CB-CE1 4.04Å; I226-F304 HydrophobicContact CD1-CB 3.81Å; I226-F304 HydrophobicContact CD1-CD1 3.6Å; I226-F304 HydrophobicContact CD1-CE1 4.44Å; I226-F304 HydrophobicContact CD1-CG 3.89Å; L254-F304 HydrophobicContact CB-CD2 4.07Å; L254-F304 HydrophobicContact CB-CE2 3.69Å; L254-F304 HydrophobicContact CD2-CD2 3.49Å; L254-F304 VanDerWaalsContact CD2-CD2 3.49Å; L254-F304 HydrophobicContact CD2-CE2 3.7Å; L254-F304 HydrophobicContact CD2-CG 4.41Å; L254-F304 HydrophobicContact CG-CD2 4.27Å; L254-F304 HydrophobicContact CG-CE2 4.3Å; M288-F304 HydrophobicContact CE-CB 3.8Å; L290-F304 HydrophobicContact CD2-CB 3.68Å; F304-H441 WeakPolarHBondContact O-CB 3.17Å; F304-Q442 VanDerWaalsContact O-CG 3.23Å; F304-Q442 WeakPolarHBondContact O-CG 3.35Å; F304-Q442 PolarHBondContact O-NE2 2.88Å; F304-D518 HydrophobicContact CD1-CB 4.49Å; F304-D518 WeakPolarHBondContact CD1-OD2 3.24Å; F304-D518 HydrophobicContact CE1-CB 3.96Å; F304-D518 WeakPolarHBondContact CE1-OD2 3.46Å; F304-D518 HydrophobicContact CZ-CB 4.32Å; F304-D518 PolarHBondContact N-OD1 3.47Å; F304-D518 PolarHBondContact N-OD2 2.94Å
305	L	97.7	Very high	96.4	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	10%	0.103	C	C	.	.	S	Bend	trans	-122.3	-60.5	-168.1	174.9	66.9	0	0	0	111.9	D219 A253 M440 H441 Q442 H444 D518	D219-L305 HydrophobicContact CB-CD2 4.05Å; A253-L305 HydrophobicContact CB-CD1 3.65Å; A253-L305 HydrophobicContact CB-CD2 3.66Å; A253-L305 HydrophobicContact CB-CG 4.28Å; L305-M440 HydrophobicContact CD1-CE 4.25Å; L305-H441 WeakPolarHBondContact O-CB 3.44Å; L305-H441 PolarHBondContact O-N 2.81Å; L305-H441 PolarHBondContact O-ND1 2.86Å; L305-Q442 HydrophobicContact CD1-CB 4.05Å; L305-Q442 HydrophobicContact CD1-CG 4.26Å; L305-H444 WeakPolarHBondContact CD1-O 3.47Å; L305-D518 WeakPolarHBondContact CA-OD1 3.35Å; L305-D518 HydrophobicContact CB-CB 4.47Å; L305-D518 VanDerWaalsContact CB-OD1 3.25Å; L305-D518 WeakPolarHBondContact CB-OD1 3.37Å; L305-D518 PolarHBondContact N-OD1 3.13Å
306	S	97.9	Very high	96.2	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	152.8	-169.9	64.6	0	0	0	0	115.8	S303 A439 V517 D518	S303-S306 PolarHBondContact OG-N 3.42Å; S303-S306 PolarHBondContact OG-O 3Å; S306-A439 CarbonylContact C-O 3.53Å; S306-A439 WeakPolarHBondContact CA-O 3.34Å; S306-V517 CarbonylContact O-C 3.52Å; S306-V517 WeakPolarHBondContact O-CA 3.41Å; S306-D518 PolarHBondContact N-OD1 3.08Å; S306-D518 VanDerWaalsContact N-OD1 3.09Å; S306-D518 PolarHBondContact O-N 2.78Å
307	L	98.6	Very high	96.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.1	160.6	162.2	68.9	0	0	0	107.7	L293 M437 A439 L504 I515 T516 V517 I527	L293-L307 HydrophobicContact CD2-CB 4.19Å; L293-L307 HydrophobicContact CD2-CD1 4.18Å; L293-L307 HydrophobicContact CD2-CD2 4.02Å; L293-L307 HydrophobicContact CD2-CG 4.36Å; L307-M437 HydrophobicContact CD2-CE 4.05Å; L307-M437 HydrophobicContact CG-CE 4.1Å; L307-A439 HydrophobicContact CB-CB 4.11Å; L307-A439 PolarHBondContact N-O 3.42Å; L307-A439 PolarHBondContact O-N 3.48Å; L307-L504 HydrophobicContact CD2-CD1 3.89Å; L307-I515 HydrophobicContact CD1-CG2 3.46Å; L307-I515 VanDerWaalsContact CD1-CG2 3.46Å; L307-T516 CarbonylContact C-O 3.5Å; L307-T516 WeakPolarHBondContact CA-O 3.46Å; L307-V517 HydrophobicContact CD1-CG2 3.91Å; L307-I527 HydrophobicContact CD1-CD1 3.79Å; L307-I527 HydrophobicContact CD2-CD1 4.4Å; L307-I527 HydrophobicContact CD2-CG2 4.49Å
308	A	98.4	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.1	-178.6	0	0	0	0	0	112.3	V312 A313 L438 I515 T516	A308-V312 HydrophobicContact CB-CB 4.06Å; A308-V312 HydrophobicContact CB-CG1 3.87Å; A308-A313 HydrophobicContact CB-CB 4.34Å; A308-L438 HydrophobicContact CB-CD1 3.77Å; A308-I515 WeakPolarHBondContact O-CA 3.25Å; A308-T516 PolarHBondContact N-O 2.95Å; A308-T516 PolarHBondContact O-N 3.13Å
309	W	98.5	Very high	96.5	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.5	173.8	172.3	66.5	0	0	0	110.5	Y344 K345 F434 L436 M437 L506 P508 I515 Y524	W309-Y344 VanDerWaalsContact CZ2-CB 3.46Å; W309-K345 WeakPolarHBondContact CZ2-O 3.43Å; W309-F434 HydrophobicContact CH2-CB 4.3Å; W309-F434 AromaticContact CH2-CD2 3.87Å; W309-F434 HydrophobicContact CH2-CD2 3.87Å; W309-F434 HydrophobicContact CH2-CG 4.43Å; W309-F434 HydrophobicContact CZ3-CB 3.8Å; W309-F434 AromaticContact CZ3-CD2 3.62Å; W309-F434 HydrophobicContact CZ3-CD2 3.62Å; W309-F434 HydrophobicContact CZ3-CE2 4.43Å; W309-F434 AromaticContact CZ3-CG 3.86Å; W309-F434 HydrophobicContact CZ3-CG 3.86Å; W309-L436 WeakPolarHBondContact O-CA 3.25Å; W309-M437 HydrophobicContact CB-CB 4.46Å; W309-M437 HydrophobicContact CB-CE 4.3Å; W309-M437 HydrophobicContact CE3-CB 3.83Å; W309-M437 PolarHBondContact N-O 3.2Å; W309-M437 PolarHBondContact O-N 3.16Å; W309-M437 VanDerWaalsContact O-O 3.12Å; W309-L506 HydrophobicContact CB-CD2 3.53Å; W309-L506 HydrophobicContact CD2-CD1 4.03Å; W309-L506 HydrophobicContact CD2-CD2 3.77Å; W309-L506 HydrophobicContact CD2-CG 4.5Å; W309-L506 HydrophobicContact CE3-CD1 3.65Å; W309-L506 HydrophobicContact CE3-CD2 4.08Å; W309-L506 HydrophobicContact CG-CD2 3.55Å; W309-L506 HydrophobicContact CH2-CD1 4.35Å; W309-L506 HydrophobicContact CZ3-CD1 3.82Å; W309-P508 HydrophobicContact CZ2-CB 4.26Å; W309-I515 HydrophobicContact CB-CG1 4.37Å; W309-I515 HydrophobicContact CG-CG1 4.41Å; W309-Y524 AromaticContact CD1-CE2 3.96Å; W309-Y524 AromaticContact NE1-CE2 3.67Å
310	G	97.4	Very high	96.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.6	-134.1	-178.4	0	0	0	0	0	112.3	V312 A313 D314 Y344	G310-V312 VanDerWaalsContact C-N 3.34Å; G310-V312 PolarHBondContact O-N 3.4Å; G310-V312 VanDerWaalsContact O-N 3.16Å; G310-A313 PolarHBondContact O-N 2.9Å; G310-D314 PolarHBondContact O-N 3.21Å; G310-Y344 VanDerWaalsContact CA-CE2 3.4Å; G310-Y344 VanDerWaalsContact CA-CZ 3.5Å
311	F	97.5	Very high	96.1	Very high	3 Å²	3	17 Å²	17	1%	0.013	8%	0.083	C	C	.	.	H	α-helix	trans	-49.5	-46.9	-169.2	-171.1	-81.3	0	0	0	114.6	D314 V315 T334 R337 L338 L341 V435 L436 L476 F480	F311-D314 PolarHBondContact O-N 3.42Å; F311-V315 HydrophobicContact CD1-CG2 4.03Å; F311-V315 HydrophobicContact CE1-CG2 3.74Å; F311-V315 HydrophobicContact CZ-CG2 4.39Å; F311-V315 WeakPolarHBondContact O-CG2 3.49Å; F311-V315 PolarHBondContact O-N 3Å; F311-T334 HydrophobicContact CE1-CG2 4.05Å; F311-T334 HydrophobicContact CZ-CG2 4.14Å; F311-R337 HydrophobicContact CD2-CB 4.22Å; F311-R337 HydrophobicContact CE1-CB 4.39Å; F311-R337 HydrophobicContact CE2-CB 3.61Å; F311-R337 HydrophobicContact CZ-CB 3.71Å; F311-L338 HydrophobicContact CZ-CB 4.44Å; F311-L341 HydrophobicContact CD2-CD1 3.6Å; F311-L341 HydrophobicContact CE2-CD1 3.74Å; F311-V435 HydrophobicContact CB-CG1 4Å; F311-V435 WeakPolarHBondContact CB-O 3.49Å; F311-V435 HydrophobicContact CD2-CG1 4.22Å; F311-V435 HydrophobicContact CG-CG1 4.42Å; F311-V435 PolarHBondContact N-O 2.83Å; F311-L436 HydrophobicContact CB-CB 3.92Å; F311-L436 HydrophobicContact CB-CD2 4.08Å; F311-L476 HydrophobicContact CD2-CD2 4.26Å; F311-L476 HydrophobicContact CE2-CD2 4.11Å; F311-F480 HydrophobicContact CD1-CE2 4.1Å; F311-F480 AromaticContact CD1-CZ 3.64Å; F311-F480 HydrophobicContact CD1-CZ 3.64Å; F311-F480 HydrophobicContact CE1-CE1 4.45Å; F311-F480 AromaticContact CE1-CE2 3.5Å; F311-F480 HydrophobicContact CE1-CE2 3.5Å; F311-F480 VanDerWaalsContact CE1-CE2 3.5Å; F311-F480 AromaticContact CE1-CZ 3.39Å; F311-F480 HydrophobicContact CE1-CZ 3.39Å; F311-F480 AromaticContact CZ-CE2 3.85Å; F311-F480 HydrophobicContact CZ-CE2 3.85Å; F311-F480 HydrophobicContact CZ-CZ 4.21Å
312	V	96.9	Very high	95.8	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.055	10%	0.095	C	C	.	.	H	α-helix	trans	-67.8	-46.5	-176.8	175.9	0	0	0	0	110.9	A308 G310 D314 V315 D316 L436 L438 L445	A308-V312 HydrophobicContact CB-CB 4.06Å; A308-V312 HydrophobicContact CB-CG1 3.87Å; G310-V312 VanDerWaalsContact C-N 3.34Å; G310-V312 PolarHBondContact O-N 3.4Å; G310-V312 VanDerWaalsContact O-N 3.16Å; V312-D314 VanDerWaalsContact C-N 3.3Å; V312-D314 PolarHBondContact O-N 3.38Å; V312-V315 WeakPolarHBondContact O-CB 3.03Å; V312-V315 PolarHBondContact O-N 2.88Å; V312-D316 PolarHBondContact O-N 3Å; V312-L436 HydrophobicContact CG2-CD2 4.27Å; V312-L438 HydrophobicContact CG1-CD1 4.24Å; V312-L445 HydrophobicContact CG1-CD1 4.38Å; V312-L445 HydrophobicContact CG1-CD2 4.04Å
313	A	97.4	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-38.3	177.2	0	0	0	0	0	112.2	A308 G310 D316 V317 I514 T516	A308-A313 HydrophobicContact CB-CB 4.34Å; G310-A313 PolarHBondContact O-N 2.9Å; A313-D316 PolarHBondContact O-N 3.26Å; A313-V317 PolarHBondContact O-N 3.07Å; A313-V317 VanDerWaalsContact O-N 3.16Å; A313-I514 HydrophobicContact CB-CB 4.21Å; A313-I514 HydrophobicContact CB-CG2 3.95Å; A313-I514 WeakPolarHBondContact CB-O 3.35Å; A313-T516 HydrophobicContact CB-CG2 4.15Å
314	D	97	Very high	94.7	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-43	172	-94.7	25.3	0	0	0	111.7	G310 F311 V312 E318 R337 R342 Y344	G310-D314 PolarHBondContact O-N 3.21Å; F311-D314 PolarHBondContact O-N 3.42Å; V312-D314 VanDerWaalsContact C-N 3.3Å; V312-D314 PolarHBondContact O-N 3.38Å; D314-E318 WeakPolarHBondContact O-CB 3.06Å; D314-E318 VanDerWaalsContact O-CG 3.25Å; D314-E318 WeakPolarHBondContact O-CG 3.31Å; D314-E318 PolarHBondContact O-N 3.1Å; D314-R337 HydrophobicContact CB-CG 4.48Å; D314-R342 IonicContact OD2-CZ 3.8Å; D314-R342 IonicContact OD2-NH1 3.52Å; D314-R342 PolarHBondContact OD2-NH1 3.39Å; D314-Y344 PolarHBondContact OD2-OH 3.42Å
315	V	95.6	Very high	94.3	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.036	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-44.8	176.9	170.2	0	0	0	0	111.1	F311 V312 V317 S319 F330 R337	F311-V315 HydrophobicContact CD1-CG2 4.03Å; F311-V315 HydrophobicContact CE1-CG2 3.74Å; F311-V315 HydrophobicContact CZ-CG2 4.39Å; F311-V315 WeakPolarHBondContact O-CG2 3.49Å; F311-V315 PolarHBondContact O-N 3Å; V312-V315 WeakPolarHBondContact O-CB 3.03Å; V312-V315 PolarHBondContact O-N 2.88Å; V315-V317 VanDerWaalsContact C-N 3.34Å; V315-V317 PolarHBondContact O-N 3.04Å; V315-S319 WeakPolarHBondContact O-CB 3.44Å; V315-S319 PolarHBondContact O-N 3.02Å; V315-S319 PolarHBondContact O-OG 3.02Å; V315-F330 HydrophobicContact CG1-CD1 4.39Å; V315-R337 HydrophobicContact CG2-CB 4.02Å; V315-R337 HydrophobicContact CG2-CG 3.72Å
316	D	92.8	Very high	93.8	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.118	16%	0.159	C	C	.	.	H	α-helix	trans	-54.6	-51.8	179.7	-74	-23.4	0	0	0	110.9	V312 A313 S319 R329 T516	V312-D316 PolarHBondContact O-N 3Å; A313-D316 PolarHBondContact O-N 3.26Å; D316-S319 PolarHBondContact O-OG 2.99Å; D316-R329 PolarHBondContact O-NH1 2.93Å; D316-T516 HydrophobicContact CB-CG2 4.17Å; D316-T516 PolarHBondContact OD2-OG1 2.83Å; D316-T516 VanDerWaalsContact OD2-OG1 3.09Å
317	V	93.8	Very high	93.4	Very high	47 Å²	47	35.1 Å²	35.1	29%	0.285	17%	0.174	S	C	.	.	H	α-helix	trans	-78	-48.2	-175.1	177.9	0	0	0	0	112.4	A313 V315 S319 E320 I514 T516 V521	A313-V317 PolarHBondContact O-N 3.07Å; A313-V317 VanDerWaalsContact O-N 3.16Å; V315-V317 VanDerWaalsContact C-N 3.34Å; V315-V317 PolarHBondContact O-N 3.04Å; V317-S319 PolarHBondContact O-N 3.4Å; V317-E320 WeakPolarHBondContact O-CB 3.45Å; V317-E320 PolarHBondContact O-N 3.17Å; V317-I514 HydrophobicContact CB-CD1 3.85Å; V317-I514 HydrophobicContact CB-CG2 4.35Å; V317-I514 HydrophobicContact CG1-CD1 3.95Å; V317-I514 HydrophobicContact CG2-CD1 4.15Å; V317-I514 HydrophobicContact CG2-CG2 3.53Å; V317-T516 HydrophobicContact CG2-CG2 4Å; V317-V521 HydrophobicContact CG2-CG2 3.31Å
318	E	94.4	Very high	93	Very high	47 Å²	47	37.6 Å²	37.6	22%	0.22	19%	0.194	C	C	.	.	H	α-helix	trans	-70	-21.9	-175.2	-65.5	-171.7	-174.6	0	0	112.4	D314 K321 R337 R342	D314-E318 WeakPolarHBondContact O-CB 3.06Å; D314-E318 VanDerWaalsContact O-CG 3.25Å; D314-E318 WeakPolarHBondContact O-CG 3.31Å; D314-E318 PolarHBondContact O-N 3.1Å; E318-K321 WeakPolarHBondContact O-CD 3.47Å; E318-K321 WeakPolarHBondContact O-CE 3.39Å; E318-K321 WeakPolarHBondContact O-CG 3.42Å; E318-R337 IonicContact OE1-CZ 3.48Å; E318-R337 IonicContact OE1-NH1 3.6Å; E318-R337 PolarHBondContact OE1-NH1 3.45Å; E318-R337 WeakPolarHBondContact OE2-CD 3.49Å; E318-R337 IonicContact OE2-CZ 3.19Å; E318-R337 IonicContact OE2-NE 3.65Å; E318-R337 PolarHBondContact OE2-NE 3.31Å; E318-R337 VanDerWaalsContact OE2-NE 3.11Å; E318-R337 IonicContact OE2-NH1 3.01Å; E318-R337 PolarHBondContact OE2-NH1 3.16Å; E318-R337 IonicContact OE2-NH2 2.65Å; E318-R342 IonicContact OE1-CZ 3.48Å; E318-R342 IonicContact OE1-NH1 2.78Å; E318-R342 PolarHBondContact OE1-NH1 3.28Å; E318-R342 IonicContact OE1-NH2 2.88Å
319	S	92.4	Very high	92.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.1	176.1	72.3	0	0	0	0	114.3	V315 D316 V317 K321 Y322 R329	V315-S319 WeakPolarHBondContact O-CB 3.44Å; V315-S319 PolarHBondContact O-N 3.02Å; V315-S319 PolarHBondContact O-OG 3.02Å; D316-S319 PolarHBondContact O-OG 2.99Å; V317-S319 PolarHBondContact O-N 3.4Å; S319-K321 PolarHBondContact O-N 2.92Å; S319-Y322 WeakPolarHBondContact O-CA 3.38Å; S319-Y322 WeakPolarHBondContact O-CB 3.39Å; S319-Y322 PolarHBondContact O-N 3.18Å; S319-R329 WeakPolarHBondContact CB-O 3.44Å; S319-R329 PolarHBondContact OG-NH1 3.5Å
320	E	90.5	Very high	92.3	Very high	69 Å²	69	39.6 Å²	39.6	32%	0.322	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-58.5	-30.7	175.8	-78.2	-61.2	127.2	0	0	112.5	V317 Y322 R323 R329	V317-E320 WeakPolarHBondContact O-CB 3.45Å; V317-E320 PolarHBondContact O-N 3.17Å; E320-Y322 PolarHBondContact O-N 3.24Å; E320-R323 VanDerWaalsContact O-CB 3.23Å; E320-R323 WeakPolarHBondContact O-CB 3.25Å; E320-R323 PolarHBondContact O-N 3.5Å; E320-R323 IonicContact OE2-CZ 3.03Å; E320-R323 IonicContact OE2-NH1 2.79Å; E320-R323 PolarHBondContact OE2-NH1 3.37Å; E320-R329 IonicContact OE1-CZ 3.54Å; E320-R329 IonicContact OE1-NH1 3.8Å; E320-R329 PolarHBondContact OE1-NH1 2.9Å; E320-R329 IonicContact OE1-NH2 2.73Å; E320-R329 PolarHBondContact OE1-NH2 3.2Å
321	K	90.9	Very high	92.1	Very high	126 Å²	126	43 Å²	43	55%	0.548	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-61.6	-17.1	172.9	70.5	-162	176.4	-168.6	0	113.6	E318 S319	E318-K321 WeakPolarHBondContact O-CD 3.47Å; E318-K321 WeakPolarHBondContact O-CE 3.39Å; E318-K321 WeakPolarHBondContact O-CG 3.42Å; S319-K321 PolarHBondContact O-N 2.92Å
322	Y	89.3	Confident	91.8	Very high	73 Å²	73	45.9 Å²	45.9	29%	0.286	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-105.8	18.9	176.2	-49.1	-61.7	0	0	0	112.7	S319 E320 H324 A325 V332	S319-Y322 WeakPolarHBondContact O-CA 3.38Å; S319-Y322 WeakPolarHBondContact O-CB 3.39Å; S319-Y322 PolarHBondContact O-N 3.18Å; E320-Y322 PolarHBondContact O-N 3.24Å; Y322-H324 PolarHBondContact O-N 2.87Å; Y322-A325 VanDerWaalsContact O-CB 3.23Å; Y322-A325 WeakPolarHBondContact O-CB 3.37Å; Y322-A325 PolarHBondContact O-N 3.33Å; Y322-V332 HydrophobicContact CD2-CG1 4.43Å; Y322-V332 HydrophobicContact CE2-CG1 4.3Å
323	R	86.8	Confident	91.7	Very high	107 Å²	107	45.7 Å²	45.7	40%	0.404	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-52.8	-31.3	-177.4	-170.3	171.9	-174.7	136.2	-6	114.1	E320 A325 G326	E320-R323 VanDerWaalsContact O-CB 3.23Å; E320-R323 WeakPolarHBondContact O-CB 3.25Å; E320-R323 PolarHBondContact O-N 3.5Å; E320-R323 IonicContact OE2-CZ 3.03Å; E320-R323 IonicContact OE2-NH1 2.79Å; E320-R323 PolarHBondContact OE2-NH1 3.37Å; R323-A325 PolarHBondContact O-N 2.91Å; R323-G326 PolarHBondContact O-N 3.16Å
324	H	87.5	Confident	91.5	Very high	143 Å²	143	46.7 Å²	46.7	66%	0.662	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-60.5	-23.4	174.3	62.1	-89.1	0	0	0	113.8	Y322 G326	Y322-H324 PolarHBondContact O-N 2.87Å; H324-G326 PolarHBondContact O-N 3.39Å
325	A	88.1	Confident	91.3	Very high	34 Å²	34	51 Å²	51	28%	0.281	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-75.3	-10.4	174.5	0	0	0	0	0	113	K165 Y322 R323	K165-A325 WeakPolarHBondContact CE-O 3.41Å; Y322-A325 VanDerWaalsContact O-CB 3.23Å; Y322-A325 WeakPolarHBondContact O-CB 3.37Å; Y322-A325 PolarHBondContact O-N 3.33Å; R323-A325 PolarHBondContact O-N 2.91Å
326	G	88.8	Confident	91.3	Very high	5 Å²	5	53.3 Å²	53.3	5%	0.052	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	-144.4	-173.7	0	0	0	0	0	111.7	S250 R323 H324 A328 R329	S250-G326 WeakPolarHBondContact OG-CA 3.4Å; R323-G326 PolarHBondContact O-N 3.16Å; H324-G326 PolarHBondContact O-N 3.39Å; G326-A328 PolarHBondContact O-N 3.29Å; G326-A328 VanDerWaalsContact O-N 3.14Å; G326-R329 WeakPolarHBondContact O-CB 3.44Å; G326-R329 WeakPolarHBondContact O-CD 3.46Å; G326-R329 WeakPolarHBondContact O-CG 3.4Å; G326-R329 PolarHBondContact O-N 3.17Å; G326-R329 VanDerWaalsContact O-N 3.1Å
327	A	88.1	Confident	91.4	Very high	41 Å²	41	53.7 Å²	53.7	34%	0.339	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.5	-178	0	0	0	0	0	114.1	R329 F330	A327-R329 PolarHBondContact O-N 3.48Å; A327-F330 WeakPolarHBondContact O-CD2 3.46Å; A327-F330 PolarHBondContact O-N 3.39Å; A327-F330 VanDerWaalsContact O-N 3.13Å
328	A	89.9	Confident	91.4	Very high	52 Å²	52	52.2 Å²	52.2	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-19.2	178.3	0	0	0	0	0	113.8	G326 F330 T331 V332	G326-A328 PolarHBondContact O-N 3.29Å; G326-A328 VanDerWaalsContact O-N 3.14Å; A328-F330 PolarHBondContact O-N 3.11Å; A328-T331 PolarHBondContact O-N 2.83Å; A328-V332 WeakPolarHBondContact O-CG2 3.45Å; A328-V332 PolarHBondContact O-N 3.44Å; A328-V332 VanDerWaalsContact O-N 3.1Å
329	R	91.9	Very high	91.4	Very high	20 Å²	20	53.5 Å²	53.5	8%	0.075	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-34.9	175.4	76.2	-173.3	-179	95.4	-18.1	112.6	D316 S319 E320 G326 A327 V332 G333	D316-R329 PolarHBondContact O-NH1 2.93Å; S319-R329 WeakPolarHBondContact CB-O 3.44Å; S319-R329 PolarHBondContact OG-NH1 3.5Å; E320-R329 IonicContact OE1-CZ 3.54Å; E320-R329 IonicContact OE1-NH1 3.8Å; E320-R329 PolarHBondContact OE1-NH1 2.9Å; E320-R329 IonicContact OE1-NH2 2.73Å; E320-R329 PolarHBondContact OE1-NH2 3.2Å; G326-R329 WeakPolarHBondContact O-CB 3.44Å; G326-R329 WeakPolarHBondContact O-CD 3.46Å; G326-R329 WeakPolarHBondContact O-CG 3.4Å; G326-R329 PolarHBondContact O-N 3.17Å; G326-R329 VanDerWaalsContact O-N 3.1Å; A327-R329 PolarHBondContact O-N 3.48Å; R329-V332 PolarHBondContact O-N 2.95Å; R329-G333 PolarHBondContact O-N 3.26Å
330	F	91.6	Very high	91.4	Very high	24 Å²	24	55.8 Å²	55.8	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-70.5	-42.7	-178.8	-62.9	-63.7	0	0	0	110.9	V315 A327 A328 V332 G333 T334	V315-F330 HydrophobicContact CG1-CD1 4.39Å; A327-F330 WeakPolarHBondContact O-CD2 3.46Å; A327-F330 PolarHBondContact O-N 3.39Å; A327-F330 VanDerWaalsContact O-N 3.13Å; A328-F330 PolarHBondContact O-N 3.11Å; F330-V332 PolarHBondContact O-N 2.98Å; F330-G333 PolarHBondContact O-N 3.44Å; F330-T334 WeakPolarHBondContact O-CB 3.4Å; F330-T334 PolarHBondContact O-N 2.86Å; F330-T334 PolarHBondContact O-OG1 3.44Å; F330-T334 VanDerWaalsContact O-OG1 3.04Å
331	T	92.3	Very high	91.7	Very high	72 Å²	72	54.4 Å²	54.4	44%	0.442	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-46.8	174.1	-43.9	0	0	0	0	111.2	A328 T334 L335	A328-T331 PolarHBondContact O-N 2.83Å; T331-T334 PolarHBondContact O-N 3.16Å; T331-L335 WeakPolarHBondContact O-CG 3.26Å; T331-L335 PolarHBondContact O-N 2.76Å
332	V	91.8	Very high	91.8	Very high	63 Å²	63	53.6 Å²	53.6	38%	0.382	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-45.9	177.8	174.8	0	0	0	0	111	Y322 A328 R329 F330 T334 L335 V336	Y322-V332 HydrophobicContact CD2-CG1 4.43Å; Y322-V332 HydrophobicContact CE2-CG1 4.3Å; A328-V332 WeakPolarHBondContact O-CG2 3.45Å; A328-V332 PolarHBondContact O-N 3.44Å; A328-V332 VanDerWaalsContact O-N 3.1Å; R329-V332 PolarHBondContact O-N 2.95Å; F330-V332 PolarHBondContact O-N 2.98Å; V332-T334 VanDerWaalsContact C-N 3.35Å; V332-T334 PolarHBondContact O-N 2.82Å; V332-L335 PolarHBondContact O-N 3.01Å; V332-V336 HydrophobicContact CG1-CG2 4.43Å; V332-V336 WeakPolarHBondContact O-CG2 3.35Å; V332-V336 PolarHBondContact O-N 3.12Å
333	G	93.9	Very high	92.2	Very high	5 Å²	5	54.7 Å²	54.7	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-47.1	176.4	0	0	0	0	0	111.9	R329 F330 L335 V336 R337	R329-G333 PolarHBondContact O-N 3.26Å; F330-G333 PolarHBondContact O-N 3.44Å; G333-L335 PolarHBondContact O-N 3.22Å; G333-V336 PolarHBondContact O-N 3.18Å; G333-R337 WeakPolarHBondContact O-CB 3.43Å; G333-R337 WeakPolarHBondContact O-CG 3.36Å; G333-R337 PolarHBondContact O-N 3.06Å
334	T	93.9	Very high	92.7	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.129	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-47.5	175.1	-68.3	0	0	0	0	111.7	F311 F330 T331 V332 V336 R337 L338 F480	F311-T334 HydrophobicContact CE1-CG2 4.05Å; F311-T334 HydrophobicContact CZ-CG2 4.14Å; F330-T334 WeakPolarHBondContact O-CB 3.4Å; F330-T334 PolarHBondContact O-N 2.86Å; F330-T334 PolarHBondContact O-OG1 3.44Å; F330-T334 VanDerWaalsContact O-OG1 3.04Å; T331-T334 PolarHBondContact O-N 3.16Å; V332-T334 VanDerWaalsContact C-N 3.35Å; V332-T334 PolarHBondContact O-N 2.82Å; T334-V336 PolarHBondContact O-N 3.01Å; T334-R337 PolarHBondContact O-N 3.44Å; T334-L338 WeakPolarHBondContact O-CB 3.37Å; T334-L338 PolarHBondContact O-N 3.41Å; T334-F480 HydrophobicContact CG2-CD2 3.84Å; T334-F480 HydrophobicContact CG2-CE2 4Å; T334-F480 HydrophobicContact CG2-CG 4.16Å; T334-F480 HydrophobicContact CG2-CZ 4.48Å
335	L	93.8	Very high	93.1	Very high	95 Å²	95	50 Å²	50	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-42.4	178.5	-68	174.9	0	0	0	112.2	T331 V332 G333 L338 A339 L477	T331-L335 WeakPolarHBondContact O-CG 3.26Å; T331-L335 PolarHBondContact O-N 2.76Å; V332-L335 PolarHBondContact O-N 3.01Å; G333-L335 PolarHBondContact O-N 3.22Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-A339 PolarHBondContact O-N 2.98Å; L335-A339 VanDerWaalsContact O-N 3.08Å; L335-L477 HydrophobicContact CD2-CD1 4.47Å
336	V	94.1	Very high	93.6	Very high	53 Å²	53	48.8 Å²	48.8	32%	0.321	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-43.7	177.4	170.2	0	0	0	0	111.3	V332 G333 T334 A339 S340	V332-V336 HydrophobicContact CG1-CG2 4.43Å; V332-V336 WeakPolarHBondContact O-CG2 3.35Å; V332-V336 PolarHBondContact O-N 3.12Å; G333-V336 PolarHBondContact O-N 3.18Å; T334-V336 PolarHBondContact O-N 3.01Å; V336-A339 PolarHBondContact O-N 3.12Å; V336-S340 PolarHBondContact O-N 3.34Å; V336-S340 PolarHBondContact O-OG 3.49Å
337	R	95.1	Very high	94	Very high	30 Å²	30	53.2 Å²	53.2	11%	0.113	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-33.4	175.9	-69.4	-56.5	76	174.1	0.7	113	F311 D314 V315 E318 G333 T334 A339 S340 L341	F311-R337 HydrophobicContact CD2-CB 4.22Å; F311-R337 HydrophobicContact CE1-CB 4.39Å; F311-R337 HydrophobicContact CE2-CB 3.61Å; F311-R337 HydrophobicContact CZ-CB 3.71Å; D314-R337 HydrophobicContact CB-CG 4.48Å; V315-R337 HydrophobicContact CG2-CB 4.02Å; V315-R337 HydrophobicContact CG2-CG 3.72Å; E318-R337 IonicContact OE1-CZ 3.48Å; E318-R337 IonicContact OE1-NH1 3.6Å; E318-R337 PolarHBondContact OE1-NH1 3.45Å; E318-R337 WeakPolarHBondContact OE2-CD 3.49Å; E318-R337 IonicContact OE2-CZ 3.19Å; E318-R337 IonicContact OE2-NE 3.65Å; E318-R337 PolarHBondContact OE2-NE 3.31Å; E318-R337 VanDerWaalsContact OE2-NE 3.11Å; E318-R337 IonicContact OE2-NH1 3.01Å; E318-R337 PolarHBondContact OE2-NH1 3.16Å; E318-R337 IonicContact OE2-NH2 2.65Å; G333-R337 WeakPolarHBondContact O-CB 3.43Å; G333-R337 WeakPolarHBondContact O-CG 3.36Å; G333-R337 PolarHBondContact O-N 3.06Å; T334-R337 PolarHBondContact O-N 3.44Å; R337-A339 PolarHBondContact O-N 3.25Å; R337-S340 VanDerWaalsContact CZ-OG 3.28Å; R337-S340 PolarHBondContact NH2-OG 3.24Å; R337-S340 CarbonylContact O-C 3.58Å; R337-S340 PolarHBondContact O-N 2.93Å; R337-S340 VanDerWaalsContact O-N 3.17Å; R337-L341 VanDerWaalsContact O-CA 3.3Å; R337-L341 WeakPolarHBondContact O-CA 3.44Å; R337-L341 PolarHBondContact O-N 3.27Å
338	L	94.9	Very high	94.5	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-41.4	174.8	-166.2	79.8	0	0	0	111.8	F311 T334 L335 S340 R473 L476 L477	F311-L338 HydrophobicContact CZ-CB 4.44Å; T334-L338 WeakPolarHBondContact O-CB 3.37Å; T334-L338 PolarHBondContact O-N 3.41Å; L335-L338 PolarHBondContact O-N 2.93Å; L338-S340 PolarHBondContact O-N 3.33Å; L338-R473 HydrophobicContact CD1-CB 4.45Å; L338-R473 HydrophobicContact CG-CB 4.27Å; L338-R473 VanDerWaalsContact O-CD 3.23Å; L338-R473 WeakPolarHBondContact O-CD 3.45Å; L338-R473 PolarHBondContact O-NE 2.83Å; L338-L476 HydrophobicContact CD1-CB 3.98Å; L338-L476 HydrophobicContact CD1-CD2 3.76Å; L338-L476 HydrophobicContact CD1-CG 3.85Å; L338-L477 HydrophobicContact CD2-CB 3.77Å; L338-L477 HydrophobicContact CD2-CD1 4.09Å; L338-L477 HydrophobicContact CD2-CD2 4.3Å; L338-L477 HydrophobicContact CD2-CG 4.26Å
339	A	93.3	Very high	94.9	Very high	73 Å²	73	49 Å²	49	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-64	-29	175.5	0	0	0	0	0	112.6	L335 V336 R337	L335-A339 PolarHBondContact O-N 2.98Å; L335-A339 VanDerWaalsContact O-N 3.08Å; V336-A339 PolarHBondContact O-N 3.12Å; R337-A339 PolarHBondContact O-N 3.25Å
340	S	93.8	Very high	95.2	Very high	48 Å²	48	48.9 Å²	48.9	34%	0.336	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	46.5	-178.2	51.8	0	0	0	0	112	V336 R337 L338 R342	V336-S340 PolarHBondContact O-N 3.34Å; V336-S340 PolarHBondContact O-OG 3.49Å; R337-S340 VanDerWaalsContact CZ-OG 3.28Å; R337-S340 PolarHBondContact NH2-OG 3.24Å; R337-S340 CarbonylContact O-C 3.58Å; R337-S340 PolarHBondContact O-N 2.93Å; R337-S340 VanDerWaalsContact O-N 3.17Å; L338-S340 PolarHBondContact O-N 3.33Å; S340-R342 PolarHBondContact O-N 2.92Å
341	L	95.1	Very high	95.5	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.209	26%	0.255	C	S	.	.			trans	-55	129.6	-174.3	-170.5	64.7	0	0	0	112.1	F311 R337 V435 R473 L476	F311-L341 HydrophobicContact CD2-CD1 3.6Å; F311-L341 HydrophobicContact CE2-CD1 3.74Å; R337-L341 VanDerWaalsContact O-CA 3.3Å; R337-L341 WeakPolarHBondContact O-CA 3.44Å; R337-L341 PolarHBondContact O-N 3.27Å; L341-V435 HydrophobicContact CD1-CG1 3.74Å; L341-R473 HydrophobicContact CB-CG 4.41Å; L341-R473 HydrophobicContact CD2-CG 4.19Å; L341-L476 HydrophobicContact CD1-CD2 3.64Å; L341-L476 HydrophobicContact CD2-CD2 4.38Å
342	R	94.8	Very high	95.7	Very high	110 Å²	110	45 Å²	45	42%	0.415	24%	0.238	S	C	.	.			trans	-109.2	157.8	179.4	-62.1	175	178.5	161.7	-5.8	110.6	D314 E318 S340 Y344	D314-R342 IonicContact OD2-CZ 3.8Å; D314-R342 IonicContact OD2-NH1 3.52Å; D314-R342 PolarHBondContact OD2-NH1 3.39Å; E318-R342 IonicContact OE1-CZ 3.48Å; E318-R342 IonicContact OE1-NH1 2.78Å; E318-R342 PolarHBondContact OE1-NH1 3.28Å; E318-R342 IonicContact OE1-NH2 2.88Å; S340-R342 PolarHBondContact O-N 2.92Å; R342-Y344 HydrophobicContact CB-CE1 4.45Å; R342-Y344 HydrophobicContact CB-CE2 3.99Å
343	I	96	Very high	95.8	Very high	95 Å²	95	43.6 Å²	43.6	49%	0.487	23%	0.233	S	C	.	.			trans	-116.4	139.1	171.6	-63.4	169.4	0	0	0	107.5	E433 F434 A469	I343-E433 HydrophobicContact CG2-CB 3.83Å; I343-E433 HydrophobicContact CG2-CG 4.33Å; I343-F434 CarbonylContact C-O 3.54Å; I343-F434 WeakPolarHBondContact CA-O 3.09Å; I343-A469 HydrophobicContact CD1-CB 4.09Å; I343-A469 HydrophobicContact CG1-CB 4.3Å; I343-A469 HydrophobicContact CG2-CB 3.99Å
344	Y	97.1	Very high	94.9	Very high	20 Å²	20	48.6 Å²	48.6	8%	0.078	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.5	-177.1	-53.2	-90.9	0	0	0	108.9	W309 G310 D314 R342 F434 V435	W309-Y344 VanDerWaalsContact CZ2-CB 3.46Å; G310-Y344 VanDerWaalsContact CA-CE2 3.4Å; G310-Y344 VanDerWaalsContact CA-CZ 3.5Å; D314-Y344 PolarHBondContact OD2-OH 3.42Å; R342-Y344 HydrophobicContact CB-CE1 4.45Å; R342-Y344 HydrophobicContact CB-CE2 3.99Å; Y344-F434 WeakPolarHBondContact CD2-O 3.41Å; Y344-F434 PolarHBondContact N-O 2.91Å; Y344-F434 PolarHBondContact O-N 3.43Å; Y344-V435 VanDerWaalsContact CD2-O 3.24Å; Y344-V435 WeakPolarHBondContact CD2-O 3.49Å; Y344-V435 WeakPolarHBondContact CE2-O 3.22Å
345	K	97.3	Very high	93.1	Very high	132 Å²	132	55.3 Å²	55.3	57%	0.574	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.6	177.6	-64.1	-169.7	171.7	-164.9	0	110	W309 E432 E433 G509	W309-K345 WeakPolarHBondContact CZ2-O 3.43Å; K345-E432 CarbonylContact C-O 3.58Å; K345-E432 VanDerWaalsContact CA-O 3.25Å; K345-E432 WeakPolarHBondContact CA-O 3.42Å; K345-E433 WeakPolarHBondContact CE-OE1 3.43Å; K345-E433 HydrophobicContact CG-CG 4.26Å; K345-E433 IonicContact NZ-OE1 3.71Å; K345-E433 PolarHBondContact NZ-OE1 2.8Å; K345-G509 WeakPolarHBondContact O-CA 3.47Å; K345-G509 PolarHBondContact O-N 3.1Å
346	G	97.3	Very high	90.5	Very high	8 Å²	8	53.5 Å²	53.5	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	172.3	177.2	0	0	0	0	0	112	E432 F434 E507	G346-E432 PolarHBondContact N-O 3Å; G346-E432 CarbonylContact O-C 3.53Å; G346-E432 VanDerWaalsContact O-CA 3.31Å; G346-E432 WeakPolarHBondContact O-CA 3.43Å; G346-F434 WeakPolarHBondContact O-CE2 3.34Å; G346-E507 CarbonylContact C-O 3.6Å; G346-E507 WeakPolarHBondContact CA-O 3.36Å
347	K	97.9	Very high	87.7	Confident	98 Å²	98	62.2 Å²	62.2	43%	0.426	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.4	173.1	-61.3	175.7	178.8	177.9	0	109.4	E507	K347-E507 HydrophobicContact CB-CB 4.24Å; K347-E507 PolarHBondContact N-O 2.93Å; K347-E507 PolarHBondContact O-N 2.83Å
348	L	98.5	Very high	84.8	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.8	176.5	179.3	60.5	0	0	0	108.7	V429 F434 M437 L464 Y466	L348-V429 HydrophobicContact CB-CB 4.16Å; L348-V429 HydrophobicContact CB-CG2 4.01Å; L348-V429 HydrophobicContact CD2-CG2 4.1Å; L348-V429 HydrophobicContact CG-CG2 3.95Å; L348-V429 VanDerWaalsContact O-CB 3.3Å; L348-V429 WeakPolarHBondContact O-CB 3.49Å; L348-V429 WeakPolarHBondContact O-CG2 3.39Å; L348-V429 PolarHBondContact O-N 3.11Å; L348-F434 HydrophobicContact CB-CZ 4.09Å; L348-F434 HydrophobicContact CD2-CE1 4.43Å; L348-M437 HydrophobicContact CD1-CG 4.17Å; L348-M437 HydrophobicContact CD2-CG 3.91Å; L348-L464 HydrophobicContact CD2-CD1 4.45Å; L348-L464 HydrophobicContact CD2-CD2 4.35Å; L348-Y466 HydrophobicContact CD2-CD1 3.79Å; L348-Y466 HydrophobicContact CD2-CE1 4.35Å; L348-Y466 HydrophobicContact CD2-CG 4.07Å
349	A	98.5	Very high	82.2	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.033	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.3	171.7	0	0	0	0	0	110.2	L422 W426 V427 L428 L504 R505	A349-L422 HydrophobicContact CB-CD1 3.27Å; A349-W426 HydrophobicContact CB-CE3 4.14Å; A349-V427 CarbonylContact C-O 3.58Å; A349-V427 WeakPolarHBondContact CA-O 3.35Å; A349-L428 HydrophobicContact CB-CD1 4.2Å; A349-L504 CarbonylContact O-C 3.37Å; A349-L504 VanDerWaalsContact O-CA 3.31Å; A349-L504 WeakPolarHBondContact O-CA 3.49Å; A349-R505 PolarHBondContact N-O 3.35Å; A349-R505 PolarHBondContact O-N 2.82Å
350	Y	98.4	Very high	79.3	Confident	18 Å²	18	79.6 Å²	79.6	7%	0.071	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.7	-179	61.6	-95.8	0	0	0	113.1	P352 V427 V429 L464 E499 V501 A503	Y350-P352 HydrophobicContact CD2-CG 4.12Å; Y350-P352 HydrophobicContact CE2-CG 3.93Å; Y350-V427 HydrophobicContact CD2-CB 4.23Å; Y350-V427 HydrophobicContact CE1-CB 4.27Å; Y350-V427 HydrophobicContact CE1-CG1 4.12Å; Y350-V427 HydrophobicContact CE2-CB 3.84Å; Y350-V427 HydrophobicContact CE2-CG1 4.22Å; Y350-V427 HydrophobicContact CE2-CG2 4.12Å; Y350-V427 PolarHBondContact N-O 2.95Å; Y350-V427 PolarHBondContact O-N 2.72Å; Y350-V429 HydrophobicContact CD1-CG2 4.05Å; Y350-V429 HydrophobicContact CE1-CG2 3.68Å; Y350-L464 HydrophobicContact CD1-CD2 3.63Å; Y350-L464 HydrophobicContact CE1-CD2 4.37Å; Y350-L464 HydrophobicContact CG-CD2 3.84Å; Y350-E499 HydrophobicContact CE2-CB 4.34Å; Y350-E499 HydrophobicContact CE2-CG 4.23Å; Y350-V501 HydrophobicContact CD2-CB 4.31Å; Y350-V501 HydrophobicContact CD2-CG1 3.36Å; Y350-V501 HydrophobicContact CE2-CG1 4.11Å; Y350-V501 HydrophobicContact CG-CG1 3.75Å; Y350-A503 CarbonylContact C-O 3.58Å; Y350-A503 WeakPolarHBondContact CA-O 3.47Å
351	L	98	Very high	76.2	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.01	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	109.6	173.7	-177.5	63.3	0	0	0	110	L414 D425 W426 V501 R502 A503	L351-L414 HydrophobicContact CD2-CB 4.37Å; L351-L414 HydrophobicContact CD2-CD1 4.04Å; L351-L414 HydrophobicContact CD2-CD2 4.04Å; L351-L414 HydrophobicContact CD2-CG 4.38Å; L351-D425 WeakPolarHBondContact CD1-OD2 3.38Å; L351-W426 HydrophobicContact CB-CD2 4.18Å; L351-W426 HydrophobicContact CB-CG 4.46Å; L351-W426 HydrophobicContact CB-CZ2 4.34Å; L351-V501 CarbonylContact O-C 3.47Å; L351-V501 VanDerWaalsContact O-CA 3.28Å; L351-V501 WeakPolarHBondContact O-CA 3.49Å; L351-V501 WeakPolarHBondContact O-CB 3.38Å; L351-R502 PolarHBondContact O-N 2.9Å; L351-A503 HydrophobicContact CB-CB 4.24Å; L351-A503 PolarHBondContact N-O 3.08Å
352	P	97.1	Very high	73.2	Confident	13 Å²	13	84.9 Å²	84.9	8%	0.084	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147.9	-178.3	-19.4	28.8	0	0	0	113.5	Y350 V427	Y350-P352 HydrophobicContact CD2-CG 4.12Å; Y350-P352 HydrophobicContact CE2-CG 3.93Å; P352-V427 HydrophobicContact CG-CG2 3.74Å
353	A	92.8	Very high	70	Confident	33 Å²	33	85.3 Å²	85.3	27%	0.273	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-69.9	-30.1	177	0	0	0	0	0	113.7	R355 V461 K500 R502	A353-R355 VanDerWaalsContact C-N 3.34Å; A353-R355 PolarHBondContact O-N 3.25Å; A353-V461 HydrophobicContact CB-CG1 3.57Å; A353-K500 HydrophobicContact CB-CB 4.29Å; A353-K500 WeakPolarHBondContact CB-O 3.45Å; A353-K500 PolarHBondContact N-O 3.1Å; A353-R502 HydrophobicContact CB-CG 4.37Å
354	S	76.1	Confident	66.9	Low	110 Å²	110	86.9 Å²	86.9	77%	0.769	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-84.1	6.7	-170.7	38.4	0	0	0	0	115.6
355	R	55.1	Low	63.7	Low	162 Å²	162	96.8 Å²	96.8	61%	0.611	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-93.4	4.9	-179.5	-90.9	-175.7	172	-175	-3.5	116	A353 D425	A353-R355 VanDerWaalsContact C-N 3.34Å; A353-R355 PolarHBondContact O-N 3.25Å; R355-D425 PolarHBondContact NH1-O 3.28Å
356	G	39.9	Very low	60.4	Low	56 Å²	56	97.4 Å²	97.4	58%	0.577	53%	0.532	S	S	*	.			trans	-106.1	90.2	173.7	0	0	0	0	0	113.5
357	R	34.8	Very low	57.3	Low	236 Å²	236	103.7 Å²	103.7	89%	0.891	57%	0.572	S	S	*	*			trans	-86.5	126.3	157.6	-78	-174.4	-163.1	-178.1	5.3	108.5
358	H	34.9	Very low	54.1	Low	180 Å²	180	103.3 Å²	103.3	83%	0.833	59%	0.587	S	S	*	*	S	Bend	trans	59.3	99	161.5	-74.4	-77.9	0	0	0	118.7
359	M	38.7	Very low	50.7	Low	176 Å²	176	108.6 Å²	108.6	87%	0.867	62%	0.624	S	S	*	*			trans	139.3	103.1	160.8	-83.2	176	85.5	0	0	104.1
360	D	32.2	Very low	47.3	Very low	130 Å²	130	113.9 Å²	113.9	70%	0.695	66%	0.659	S	S	*	*				-154.5	125.4	59.9	-70.7	-47.3	0	0	0	112
361	A	30.6	Very low	43.9	Very low	115 Å²	115	120.2 Å²	120.2	95%	0.95	69%	0.694	S	S	*	*	S	Bend	trans	-114.4	21.6	162.9	0	0	0	0	0	111.3
362	A	30.4	Very low	40.3	Very low	84 Å²	84	125.4 Å²	125.4	69%	0.694	73%	0.726	S	S	*	*			trans	-124	-11.5	-165.7	0	0	0	0	0	117.3
363	C	28.8	Very low	36.8	Very low	119 Å²	119	133.5 Å²	133.5	80%	0.804	76%	0.762	S	S	*	*			trans	-94.2	4.2	-174.9	-87.2	0	0	0	0	116.5	R365	C363-R365 VanDerWaalsContact C-N 3.32Å; C363-R365 PolarHBondContact O-N 3.1Å; C363-R365 VanDerWaalsContact O-N 3.09Å
364	C	31.3	Very low	33.6	Very low	128 Å²	128	138.4 Å²	138.4	87%	0.865	79%	0.789	S	S	*	*			trans	-84.9	73.9	168.9	-64.5	0	0	0	0	110.5
365	R	30.1	Very low	31.2	Very low	227 Å²	227	141.1 Å²	141.1	86%	0.857	79%	0.794	S	S	*	*	S	Bend	trans	-161.8	105.4	159.4	-110.2	173.4	-98.4	-147.2	2.5	111.5	C363	C363-R365 VanDerWaalsContact C-N 3.32Å; C363-R365 PolarHBondContact O-N 3.1Å; C363-R365 VanDerWaalsContact O-N 3.09Å
366	N	27.4	Very low	29.8	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	81%	0.808	S	S	*	*			trans	80.2	104.2	159.9	-59.6	-7.7	0	0	0	119.8
367	P	31	Very low	29.1	Very low	140 Å²	140	146.8 Å²	146.8	91%	0.909	82%	0.817	S	S	*	*			trans	-99.8	80.1	152.8	34.3	-21.5	0	0	0	109
368	A	30.6	Very low	28.6	Very low	90 Å²	90	143.2 Å²	143.2	74%	0.744	82%	0.815	S	S	*	*			trans	-145.7	59.3	174.1	0	0	0	0	0	110.5
369	S	27.8	Very low	28.3	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	82%	0.815	S	S	*	*			trans	-171.2	106.3	158.6	58.1	0	0	0	0	109.6
370	C	26.6	Very low	27.8	Very low	116 Å²	116	141.2 Å²	141.2	78%	0.784	81%	0.813	S	S	*	*			trans	156.2	74	155.5	-87.6	0	0	0	0	106.5
371	L	27.3	Very low	27.5	Very low	151 Å²	151	141.7 Å²	141.7	79%	0.791	82%	0.815	S	S	*	*				69.4	97.1	96.5	-68.5	168.7	0	0	0	111
372	T	22.4	Very low	27.2	Very low	111 Å²	111	143 Å²	143	68%	0.681	81%	0.806	S	S	*	*				65.6	132.9	85.1	55.7	0	0	0	0	115.8
373	Q	24.4	Very low	27.1	Very low	182 Å²	182	145 Å²	145	85%	0.85	81%	0.81	S	S	*	*			trans	86.7	125.5	169.4	-56.8	176.2	-6.7	0	0	113.2
374	T	25.5	Very low	26.9	Very low	136 Å²	136	145.4 Å²	145.4	83%	0.834	81%	0.813	S	S	*	*			cis	-154.9	147.5	34.5	36.4	0	0	0	0	111.6
375	L	26.5	Very low	26.6	Very low	167 Å²	167	148.1 Å²	148.1	87%	0.874	81%	0.812	S	S	*	*			trans	-80.2	145.8	161.9	-71.1	157.9	0	0	0	109.5
376	E	24	Very low	26.4	Very low	197 Å²	197	142.1 Å²	142.1	92%	0.921	81%	0.805	S	S	*	*			trans	-176.9	152.1	130.8	-101	173	-167.6	0	0	111.6
377	D	25.5	Very low	26.4	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	81%	0.806	S	S	*	*			trans	-66.2	154.4	-164.8	-73.3	-55.8	0	0	0	116
378	D	24.9	Very low	26.3	Very low	161 Å²	161	142.8 Å²	142.8	86%	0.861	80%	0.801	S	S	*	*				-179	119.9	121.2	-98.4	-21.9	0	0	0	111.5
379	F	28.1	Very low	26.2	Very low	190 Å²	190	143.8 Å²	143.8	83%	0.833	80%	0.802	S	S	*	*			trans	-86.7	146.4	164	-81.4	-88.6	0	0	0	109.6
380	P	27.8	Very low	26.3	Very low	125 Å²	125	147 Å²	147	81%	0.812	81%	0.81	S	S	*	*				-139.7	145.6	115.5	25.3	-6.8	0	0	0	115.2
381	N	25.8	Very low	26.5	Very low	140 Å²	140	150.9 Å²	150.9	75%	0.749	81%	0.813	S	S	*	*			trans	-48.6	140.8	163.6	-73.5	-33.5	0	0	0	112.8
382	N	25.4	Very low	26.7	Very low	143 Å²	143	151.9 Å²	151.9	77%	0.765	82%	0.819	S	S	*	*				-179.3	125.8	107.6	-94.7	-18.9	0	0	0	113.2
383	T	28.2	Very low	26.9	Very low	126 Å²	126	158 Å²	158	77%	0.773	83%	0.829	S	S	*	*			trans	15	126.8	140	55.4	0	0	0	0	119
384	C	24.3	Very low	27.4	Very low	127 Å²	127	160.6 Å²	160.6	86%	0.858	83%	0.831	S	S	*	*			trans	-139.6	131.7	151.1	59.4	0	0	0	0	112.5
385	H	25.4	Very low	27.5	Very low	185 Å²	185	159.6 Å²	159.6	86%	0.856	83%	0.83	S	S	*	*			trans	-63.2	147.6	177.5	-78.9	-91.9	0	0	0	113.3
386	S	26.3	Very low	28	Very low	101 Å²	101	160.6 Å²	160.6	71%	0.706	83%	0.83	S	S	*	*			trans	-60.1	137.3	166.4	-31.9	0	0	0	0	112.1
387	N	27.5	Very low	28.3	Very low	148 Å²	148	154 Å²	154	79%	0.791	82%	0.816	S	S	*	*				171.5	123.3	115.6	-86.1	-23.4	0	0	0	113.9
388	N	28.6	Very low	28.8	Very low	152 Å²	152	159.7 Å²	159.7	81%	0.813	83%	0.826	S	S	*	*			trans	34.7	140.7	138.3	-74.8	-15.5	0	0	0	124
389	S	27.6	Very low	29.1	Very low	110 Å²	110	159.7 Å²	159.7	77%	0.769	83%	0.826	S	S	*	*			trans	89.6	94.2	157.5	81.4	0	0	0	0	116.7	K391	S389-K391 PolarHBondContact O-N 3.48Å
390	L	30.1	Very low	29.5	Very low	178 Å²	178	156.1 Å²	156.1	93%	0.932	82%	0.821	S	S	*	*			trans	-71.3	92.9	168.7	-73.4	167.4	0	0	0	110
391	K	30.3	Very low	29.9	Very low	198 Å²	198	162.5 Å²	162.5	86%	0.861	83%	0.829	S	S	*	*			trans	-87.9	109.3	149.2	-88.9	-178	177.7	174.9	0	107.9	S389 R393	S389-K391 PolarHBondContact O-N 3.48Å; K391-R393 PolarHBondContact O-N 3.32Å
392	L	31.4	Very low	30.5	Very low	172 Å²	172	161 Å²	161	90%	0.901	83%	0.83	S	S	*	*			trans	-63.2	110.6	179.4	-148.5	82.2	0	0	0	110.2
393	R	27.5	Very low	31.2	Very low	239 Å²	239	158.7 Å²	158.7	90%	0.902	83%	0.831	S	S	*	*			trans	-108.8	119.4	162.6	-98.1	-168.3	172.2	-169	-1.2	108.9	K391 S395	K391-R393 PolarHBondContact O-N 3.32Å; R393-S395 PolarHBondContact O-N 2.96Å
394	R	34.3	Very low	32.2	Very low	237 Å²	237	157.4 Å²	157.4	89%	0.894	83%	0.833	S	S	*	*			trans	-56.6	122.5	168.3	-113.5	175.6	175.7	173.5	-2.7	109.2
395	S	28	Very low	33.7	Very low	115 Å²	115	160.9 Å²	160.9	80%	0.804	83%	0.833	S	S	*	*			trans	-128.5	108.4	162	176.7	0	0	0	0	107	R393 G397	R393-S395 PolarHBondContact O-N 2.96Å; S395-G397 PolarHBondContact O-N 3.36Å
396	E	37.3	Very low	35.8	Very low	188 Å²	188	156.6 Å²	156.6	88%	0.879	83%	0.83	S	S	*	*			trans	-75.1	114.8	166.7	-73.4	175.8	162.2	0	0	107.7
397	G	31	Very low	38.4	Very low	60 Å²	60	155.8 Å²	155.8	62%	0.619	82%	0.817	S	S	*	*			trans	-148.6	106.4	175.3	0	0	0	0	0	109.3	S395 L399	S395-G397 PolarHBondContact O-N 3.36Å; G397-L399 PolarHBondContact O-N 2.91Å
398	R	34.9	Very low	41.2	Very low	259 Å²	259	151.3 Å²	151.3	98%	0.977	80%	0.796	S	S	*	*			trans	-70.5	112.5	179.4	-155.1	-179	-160.2	-162.6	5.6	108.9
399	L	31.9	Very low	44.2	Very low	161 Å²	161	144.5 Å²	144.5	84%	0.843	76%	0.762	S	S	*	*			trans	-92.1	148	174.3	-78.8	162.8	0	0	0	111.3	G397	G397-L399 PolarHBondContact O-N 2.91Å
400	P	35.3	Very low	47.3	Very low	115 Å²	115	140 Å²	140	75%	0.747	73%	0.73	S	S	*	*			trans	-75.8	147.8	-178.4	16.9	-6.7	0	0	0	111.9	S402	P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 PolarHBondContact O-N 3.06Å
401	R	36.8	Very low	50.4	Low	259 Å²	259	136.9 Å²	136.9	98%	0.977	72%	0.721	S	S	*	*			trans	-58.9	85.5	173.5	-81.9	170.4	130.5	167.5	-3.8	110.9
402	S	38.6	Very low	53.5	Low	108 Å²	108	128.9 Å²	128.9	76%	0.755	69%	0.687	S	S	*	*			trans	-77.5	143	158.2	-177.3	0	0	0	0	108.5	P400 A404	P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 PolarHBondContact O-N 3.06Å; S402-A404 PolarHBondContact O-N 3.32Å; S402-A404 VanDerWaalsContact O-N 3.09Å
403	A	40.4	Very low	56.4	Low	95 Å²	95	125 Å²	125	79%	0.785	68%	0.68	S	S	*	*			trans	-47.2	117.6	179.9	0	0	0	0	0	110.2	K405	A403-K405 PolarHBondContact O-N 3.25Å
404	A	47.8	Very low	59.6	Low	99 Å²	99	116.1 Å²	116.1	82%	0.818	65%	0.65	S	S	*	*			trans	-59.9	107	-177.4	0	0	0	0	0	108.7	S402 A406	S402-A404 PolarHBondContact O-N 3.32Å; S402-A404 VanDerWaalsContact O-N 3.09Å; A404-A406 PolarHBondContact O-N 2.79Å; A404-A406 VanDerWaalsContact O-N 3.17Å
405	K	57.5	Low	62.6	Low	200 Å²	200	105.9 Å²	105.9	87%	0.87	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-55.7	122.1	170.9	-150	175.6	-172.8	-179.9	0	106.2	A403 L407	A403-K405 PolarHBondContact O-N 3.25Å; K405-L407 PolarHBondContact O-N 3.26Å
406	A	68.4	Low	65.7	Low	94 Å²	94	101.4 Å²	101.4	78%	0.777	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-53.7	127.7	-179.3	0	0	0	0	0	109.1	A404	A404-A406 PolarHBondContact O-N 2.79Å; A404-A406 VanDerWaalsContact O-N 3.17Å
407	L	81.8	Confident	68.4	Low	85 Å²	85	95.5 Å²	95.5	45%	0.445	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-64.9	138.3	176.2	-69.7	165.6	0	0	0	108.3	R300 K405	R300-L407 HydrophobicContact CB-CD1 4.03Å; K405-L407 PolarHBondContact O-N 3.26Å
408	P	86.3	Confident	71.4	Confident	53 Å²	53	94.5 Å²	94.5	34%	0.344	54%	0.539	S	S	.	.	S	Bend	trans	-66.2	160.3	-177.4	31.1	-37	0	0	0	111.7	L230 R300	L230-P408 WeakPolarHBondContact O-CB 3.39Å; R300-P408 PolarHBondContact NH1-O 3.39Å
409	G	90.7	Very high	74	Confident	10 Å²	10	89.1 Å²	89.1	10%	0.103	53%	0.53	C	S	.	.	S	Bend	trans	94.4	176.3	-171.7	0	0	0	0	0	114.4	W235	W235-G409 VanDerWaalsContact CE2-CA 3.44Å; W235-G409 WeakPolarHBondContact CZ2-O 3.25Å
410	P	93.6	Very high	77	Confident	14 Å²	14	86.1 Å²	86.1	9%	0.091	51%	0.512	C	S	.	.	S	Bend	trans	-64.5	156.5	-177.9	27	-34.1	0	0	0	111.4	W235 R300 H532 L535	W235-P410 HydrophobicContact CH2-CB 3.83Å; W235-P410 VanDerWaalsContact CH2-CD 3.49Å; W235-P410 HydrophobicContact CH2-CG 4.21Å; W235-P410 HydrophobicContact CZ3-CG 4.44Å; R300-P410 VanDerWaalsContact CZ-O 3.22Å; R300-P410 PolarHBondContact NH1-O 3.3Å; R300-P410 PolarHBondContact NH2-O 3.49Å; P410-H532 WeakPolarHBondContact CG-ND1 3.37Å; P410-L535 HydrophobicContact CG-CD1 4.34Å; P410-L535 HydrophobicContact CG-CD2 3.86Å
411	P	94	Very high	79.7	Confident	114 Å²	114	86.1 Å²	86.1	74%	0.74	51%	0.512	S	S	*	.			trans	-69.3	139.4	174.3	28.9	-33.9	0	0	0	111.2	H532	P411-H532 PolarHBondContact O-CE1 2.81Å
412	D	95.3	Very high	82.5	Confident	29 Å²	29	76.1 Å²	76.1	16%	0.155	48%	0.477	C	S	.	.			trans	-89.6	108.6	173	-65.4	-44.8	0	0	0	109.4	S292 H294 R300 L415 E530 H532	S292-D412 WeakPolarHBondContact CB-OD1 3.27Å; S292-D412 VanDerWaalsContact OG-CG 3.28Å; S292-D412 PolarHBondContact OG-OD1 2.89Å; S292-D412 VanDerWaalsContact OG-OD1 3.07Å; S292-D412 PolarHBondContact OG-OD2 3.05Å; H294-D412 IonicContact CD2-OD2 3.54Å; H294-D412 IonicContact CE1-OD2 3.62Å; H294-D412 IonicContact NE2-OD2 2.84Å; H294-D412 PolarHBondContact NE2-OD2 2.94Å; R300-D412 IonicContact CZ-OD2 3.38Å; R300-D412 VanDerWaalsContact CZ-OD2 3.23Å; R300-D412 IonicContact NE-OD2 2.77Å; R300-D412 PolarHBondContact NE-OD2 3.01Å; R300-D412 IonicContact NH2-OD1 3.42Å; R300-D412 PolarHBondContact NH2-OD1 3.2Å; R300-D412 IonicContact NH2-OD2 3.19Å; R300-D412 PolarHBondContact NH2-OD2 3.04Å; D412-L415 HydrophobicContact CB-CB 4.13Å; D412-L415 HydrophobicContact CB-CD1 3.93Å; D412-L415 HydrophobicContact CB-CG 4.12Å; D412-E530 VanDerWaalsContact C-OE2 3.3Å; D412-E530 WeakPolarHBondContact CA-OE2 3.48Å; D412-E530 WeakPolarHBondContact CB-OE2 3.38Å; D412-H532 IonicContact OD1-CD2 2.67Å; D412-H532 IonicContact OD1-CE1 3.28Å; D412-H532 IonicContact OD1-NE2 2.8Å; D412-H532 PolarHBondContact OD1-NE2 2.85Å
413	A	93.6	Very high	85.1	Confident	91 Å²	91	73.8 Å²	73.8	75%	0.752	46%	0.46	S	S	*	.	S	Bend	trans	-86.9	-19.4	-172.5	0	0	0	0	0	112.9	E530	A413-E530 PolarHBondContact N-OE1 3.37Å; A413-E530 VanDerWaalsContact N-OE1 3.12Å; A413-E530 PolarHBondContact N-OE2 3.47Å; A413-E530 VanDerWaalsContact N-OE2 3.12Å
414	L	94.9	Very high	87.6	Confident	53 Å²	53	75.3 Å²	75.3	28%	0.277	46%	0.464	S	S	.	.	S	Bend	trans	-100.7	-12	-173.1	-53	176	0	0	0	112.3	L351 P416 W426 R502 A503 E530	L351-L414 HydrophobicContact CD2-CB 4.37Å; L351-L414 HydrophobicContact CD2-CD1 4.04Å; L351-L414 HydrophobicContact CD2-CD2 4.04Å; L351-L414 HydrophobicContact CD2-CG 4.38Å; L414-P416 VanDerWaalsContact O-CD 3.22Å; L414-P416 WeakPolarHBondContact O-CD 3.46Å; L414-W426 WeakPolarHBondContact O-CZ2 3.4Å; L414-R502 HydrophobicContact CD1-CB 3.89Å; L414-A503 HydrophobicContact CB-CB 4.15Å; L414-A503 HydrophobicContact CD1-CB 4.42Å; L414-E530 WeakPolarHBondContact CA-OE2 3.48Å; L414-E530 HydrophobicContact CB-CG 4.36Å; L414-E530 WeakPolarHBondContact CB-OE2 3.35Å; L414-E530 HydrophobicContact CD1-CG 4.12Å; L414-E530 HydrophobicContact CG-CG 4.4Å; L414-E530 PolarHBondContact N-OE2 3.2Å
415	L	95.5	Very high	89.8	Confident	21 Å²	21	73.9 Å²	73.9	11%	0.11	44%	0.443	C	S	.	.			trans	-99.2	105.1	-172.4	-61.4	-175.4	0	0	0	112.5	D412 W426 A503 Q528 E530	D412-L415 HydrophobicContact CB-CB 4.13Å; D412-L415 HydrophobicContact CB-CD1 3.93Å; D412-L415 HydrophobicContact CB-CG 4.12Å; L415-W426 HydrophobicContact CD2-CH2 4.17Å; L415-W426 HydrophobicContact CD2-CZ2 4.43Å; L415-A503 HydrophobicContact CD2-CB 4.07Å; L415-Q528 HydrophobicContact CD1-CG 4.15Å; L415-Q528 HydrophobicContact CD2-CB 4.16Å; L415-Q528 HydrophobicContact CD2-CG 4.19Å; L415-E530 HydrophobicContact CD1-CB 3.73Å; L415-E530 HydrophobicContact CD2-CB 4.1Å; L415-E530 HydrophobicContact CG-CB 3.75Å
416	P	94.1	Very high	91.6	Very high	22 Å²	22	65.4 Å²	65.4	14%	0.143	41%	0.406	C	S	.	.			trans	-69.5	160.1	164.7	30.9	-34.1	0	0	0	110.3	L414 L422 R505 Q528	L414-P416 VanDerWaalsContact O-CD 3.22Å; L414-P416 WeakPolarHBondContact O-CD 3.46Å; P416-L422 HydrophobicContact CG-CD2 3.99Å; P416-R505 PolarHBondContact O-NH2 3.07Å; P416-Q528 PolarHBondContact O-NE2 3.28Å; P416-Q528 PolarHBondContact O-OE1 2.73Å; P416-Q528 VanDerWaalsContact O-OE1 3.09Å
417	P	93.6	Very high	93	Very high	63 Å²	63	63.1 Å²	63.1	41%	0.409	38%	0.382	S	S	.	.			trans	-51.2	147.2	171.6	-29	37.5	0	0	0	113	D419 Q420 R505	P417-D419 WeakPolarHBondContact CB-OD1 3.49Å; P417-D419 PolarHBondContact O-N 3.5Å; P417-Q420 HydrophobicContact CB-CB 4.42Å; P417-Q420 HydrophobicContact CB-CG 4.08Å; P417-Q420 HydrophobicContact CG-CG 4.34Å; P417-Q420 PolarHBondContact O-N 3.18Å; P417-R505 PolarHBondContact O-NH2 3.35Å
418	L	93.8	Very high	93.8	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.209	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.1	-176	-78.8	171.4	0	0	0	113.5	L295 Q420 P526 Q528	L295-L418 WeakPolarHBondContact O-CD1 3.34Å; L418-Q420 VanDerWaalsContact C-N 3.35Å; L418-P526 HydrophobicContact CD2-CB 4.13Å; L418-Q528 HydrophobicContact CD2-CB 4.09Å; L418-Q528 HydrophobicContact CD2-CG 3.74Å; L418-Q528 HydrophobicContact CG-CG 4.3Å
419	D	90.9	Very high	94.4	Very high	145 Å²	145	62.4 Å²	62.4	78%	0.775	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6	177.6	65	-27	0	0	0	113.6	P417	P417-D419 WeakPolarHBondContact CB-OD1 3.49Å; P417-D419 PolarHBondContact O-N 3.5Å
420	Q	93.5	Very high	94.6	Very high	98 Å²	98	67 Å²	67	46%	0.458	40%	0.403	S	S	.	.	S	Bend	trans	-98.5	149.4	179.6	-69.3	-175.6	16.6	0	0	112.1	P417 L418 R505	P417-Q420 HydrophobicContact CB-CB 4.42Å; P417-Q420 HydrophobicContact CB-CG 4.08Å; P417-Q420 HydrophobicContact CG-CG 4.34Å; P417-Q420 PolarHBondContact O-N 3.18Å; L418-Q420 VanDerWaalsContact C-N 3.35Å; Q420-R505 PolarHBondContact O-NH1 3.49Å
421	P	93.3	Very high	94.7	Very high	115 Å²	115	70 Å²	70	75%	0.747	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-62.7	148.4	174.9	28.1	-35	0	0	0	111
422	L	94.6	Very high	94.8	Very high	50 Å²	50	70.2 Å²	70.2	26%	0.262	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-71.4	144.8	174.6	-70.7	171	0	0	0	111.1	A349 P416 W426 R505	A349-L422 HydrophobicContact CB-CD1 3.27Å; P416-L422 HydrophobicContact CG-CD2 3.99Å; L422-W426 HydrophobicContact CB-CB 4.38Å; L422-W426 HydrophobicContact CB-CG 4.36Å; L422-W426 HydrophobicContact CD1-CD2 4.34Å; L422-W426 HydrophobicContact CD1-CE3 3.78Å; L422-W426 HydrophobicContact CD1-CZ3 4.3Å; L422-W426 HydrophobicContact CD2-CD2 3.86Å; L422-W426 HydrophobicContact CD2-CE3 3.74Å; L422-W426 HydrophobicContact CD2-CH2 4.1Å; L422-W426 HydrophobicContact CD2-CZ2 4.23Å; L422-W426 HydrophobicContact CD2-CZ3 3.85Å; L422-W426 HydrophobicContact CG-CD2 4.48Å; L422-W426 HydrophobicContact CG-CE3 4.3Å; L422-R505 HydrophobicContact CD1-CB 4.28Å; L422-R505 HydrophobicContact CD2-CB 4.42Å; L422-R505 VanDerWaalsContact CD2-CZ 3.47Å
423	P	94.1	Very high	94.9	Very high	59 Å²	59	72.8 Å²	72.8	38%	0.383	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-54.2	152.2	169.9	-30.4	36.9	0	0	0	113.2	D425 W426	P423-D425 WeakPolarHBondContact CB-OD1 3.06Å; P423-D425 PolarHBondContact O-N 3.43Å; P423-W426 WeakPolarHBondContact O-CB 3.43Å; P423-W426 PolarHBondContact O-N 3Å
424	S	92.3	Very high	95.1	Very high	126 Å²	126	68.5 Å²	68.5	88%	0.881	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.5	-174.9	56	0	0	0	0	115	W426	S424-W426 VanDerWaalsContact C-N 3.33Å
425	D	93.3	Very high	95.3	Very high	69 Å²	69	66 Å²	66	37%	0.369	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.1	177.8	64.1	-38.8	0	0	0	113.3	L351 R355 P423	L351-D425 WeakPolarHBondContact CD1-OD2 3.38Å; R355-D425 PolarHBondContact NH1-O 3.28Å; P423-D425 WeakPolarHBondContact CB-OD1 3.06Å; P423-D425 PolarHBondContact O-N 3.43Å
426	W	97.1	Very high	95.4	Very high	23 Å²	23	65.5 Å²	65.5	9%	0.087	37%	0.367	C	S	.	.	S	Bend	trans	-72.8	145.7	171	-74.1	55.9	0	0	0	111.5	A349 L351 L414 L415 L422 P423 S424 A503 R505	A349-W426 HydrophobicContact CB-CE3 4.14Å; L351-W426 HydrophobicContact CB-CD2 4.18Å; L351-W426 HydrophobicContact CB-CG 4.46Å; L351-W426 HydrophobicContact CB-CZ2 4.34Å; L414-W426 WeakPolarHBondContact O-CZ2 3.4Å; L415-W426 HydrophobicContact CD2-CH2 4.17Å; L415-W426 HydrophobicContact CD2-CZ2 4.43Å; L422-W426 HydrophobicContact CB-CB 4.38Å; L422-W426 HydrophobicContact CB-CG 4.36Å; L422-W426 HydrophobicContact CD1-CD2 4.34Å; L422-W426 HydrophobicContact CD1-CE3 3.78Å; L422-W426 HydrophobicContact CD1-CZ3 4.3Å; L422-W426 HydrophobicContact CD2-CD2 3.86Å; L422-W426 HydrophobicContact CD2-CE3 3.74Å; L422-W426 HydrophobicContact CD2-CH2 4.1Å; L422-W426 HydrophobicContact CD2-CZ2 4.23Å; L422-W426 HydrophobicContact CD2-CZ3 3.85Å; L422-W426 HydrophobicContact CG-CD2 4.48Å; L422-W426 HydrophobicContact CG-CE3 4.3Å; P423-W426 WeakPolarHBondContact O-CB 3.43Å; P423-W426 PolarHBondContact O-N 3Å; S424-W426 VanDerWaalsContact C-N 3.33Å; W426-A503 HydrophobicContact CH2-CB 3.63Å; W426-A503 HydrophobicContact CZ2-CB 3.7Å; W426-R505 HydrophobicContact CZ3-CB 3.97Å
427	V	97.8	Very high	95.6	Very high	45 Å²	45	64.5 Å²	64.5	27%	0.273	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.7	174.4	-179.3	0	0	0	0	108.3	A349 Y350 P352	A349-V427 CarbonylContact C-O 3.58Å; A349-V427 WeakPolarHBondContact CA-O 3.35Å; Y350-V427 HydrophobicContact CD2-CB 4.23Å; Y350-V427 HydrophobicContact CE1-CB 4.27Å; Y350-V427 HydrophobicContact CE1-CG1 4.12Å; Y350-V427 HydrophobicContact CE2-CB 3.84Å; Y350-V427 HydrophobicContact CE2-CG1 4.22Å; Y350-V427 HydrophobicContact CE2-CG2 4.12Å; Y350-V427 PolarHBondContact N-O 2.95Å; Y350-V427 PolarHBondContact O-N 2.72Å; P352-V427 HydrophobicContact CG-CG2 3.74Å
428	L	97.8	Very high	95.8	Very high	117 Å²	117	61.8 Å²	61.8	61%	0.613	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.4	169.2	-178.6	65.2	0	0	0	109	A349	A349-L428 HydrophobicContact CB-CD1 4.2Å
429	V	97.9	Very high	96	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.036	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-70.7	125.2	174.9	179.1	0	0	0	0	108.5	L348 Y350 E431 F434 Y466	L348-V429 HydrophobicContact CB-CB 4.16Å; L348-V429 HydrophobicContact CB-CG2 4.01Å; L348-V429 HydrophobicContact CD2-CG2 4.1Å; L348-V429 HydrophobicContact CG-CG2 3.95Å; L348-V429 VanDerWaalsContact O-CB 3.3Å; L348-V429 WeakPolarHBondContact O-CB 3.49Å; L348-V429 WeakPolarHBondContact O-CG2 3.39Å; L348-V429 PolarHBondContact O-N 3.11Å; Y350-V429 HydrophobicContact CD1-CG2 4.05Å; Y350-V429 HydrophobicContact CE1-CG2 3.68Å; V429-E431 VanDerWaalsContact C-N 3.34Å; V429-E431 HydrophobicContact CG1-CB 4.22Å; V429-E431 WeakPolarHBondContact CG1-OE2 3.4Å; V429-F434 HydrophobicContact CG1-CE1 4.1Å; V429-F434 HydrophobicContact CG1-CZ 3.87Å; V429-Y466 HydrophobicContact CG1-CE2 3.99Å; V429-Y466 HydrophobicContact CG2-CE1 4.25Å
430	P	96.6	Very high	96.4	Very high	106 Å²	106	53 Å²	53	69%	0.688	30%	0.296	S	S	*	.	S	Bend	trans	-73	-27	-176.9	27.8	-33	0	0	0	112.7
431	E	95.8	Very high	96.6	Very high	79 Å²	79	48.6 Å²	48.6	37%	0.369	28%	0.275	S	S	.	.			trans	-70.7	134.5	173.3	-62.1	78.3	-166.7	0	0	111.2	V429 F434 T468	V429-E431 VanDerWaalsContact C-N 3.34Å; V429-E431 HydrophobicContact CG1-CB 4.22Å; V429-E431 WeakPolarHBondContact CG1-OE2 3.4Å; E431-F434 HydrophobicContact CB-CE1 4.5Å; E431-F434 HydrophobicContact CB-CZ 4.34Å; E431-F434 VanDerWaalsContact O-CE2 3.26Å; E431-F434 WeakPolarHBondContact O-CE2 3.46Å; E431-F434 WeakPolarHBondContact O-CZ 3.48Å; E431-T468 HydrophobicContact CB-CG2 4.3Å; E431-T468 HydrophobicContact CG-CG2 3.86Å
432	E	95.4	Very high	96.8	Very high	117 Å²	117	43.1 Å²	43.1	55%	0.547	24%	0.239	S	C	.	.			trans	-110.8	-4	175.3	-61.8	-167.5	163.4	0	0	113	K345 G346	K345-E432 CarbonylContact C-O 3.58Å; K345-E432 VanDerWaalsContact CA-O 3.25Å; K345-E432 WeakPolarHBondContact CA-O 3.42Å; G346-E432 PolarHBondContact N-O 3Å; G346-E432 CarbonylContact O-C 3.53Å; G346-E432 VanDerWaalsContact O-CA 3.31Å; G346-E432 WeakPolarHBondContact O-CA 3.43Å
433	E	97.3	Very high	97	Very high	84 Å²	84	40.7 Å²	40.7	39%	0.393	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.6	-179.7	-64.7	-165.6	132.2	0	0	110.7	I343 K345 A469	I343-E433 HydrophobicContact CG2-CB 3.83Å; I343-E433 HydrophobicContact CG2-CG 4.33Å; K345-E433 WeakPolarHBondContact CE-OE1 3.43Å; K345-E433 HydrophobicContact CG-CG 4.26Å; K345-E433 IonicContact NZ-OE1 3.71Å; K345-E433 PolarHBondContact NZ-OE1 2.8Å; E433-A469 HydrophobicContact CB-CB 3.64Å; E433-A469 WeakPolarHBondContact O-CB 3.34Å; E433-A469 PolarHBondContact O-N 3.39Å
434	F	98	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.5	-173.8	-59.9	-89.2	0	0	0	111.2	W309 I343 Y344 G346 L348 V429 E431 Y466 V467	W309-F434 HydrophobicContact CH2-CB 4.3Å; W309-F434 AromaticContact CH2-CD2 3.87Å; W309-F434 HydrophobicContact CH2-CD2 3.87Å; W309-F434 HydrophobicContact CH2-CG 4.43Å; W309-F434 HydrophobicContact CZ3-CB 3.8Å; W309-F434 AromaticContact CZ3-CD2 3.62Å; W309-F434 HydrophobicContact CZ3-CD2 3.62Å; W309-F434 HydrophobicContact CZ3-CE2 4.43Å; W309-F434 AromaticContact CZ3-CG 3.86Å; W309-F434 HydrophobicContact CZ3-CG 3.86Å; I343-F434 CarbonylContact C-O 3.54Å; I343-F434 WeakPolarHBondContact CA-O 3.09Å; Y344-F434 WeakPolarHBondContact CD2-O 3.41Å; Y344-F434 PolarHBondContact N-O 2.91Å; Y344-F434 PolarHBondContact O-N 3.43Å; G346-F434 WeakPolarHBondContact O-CE2 3.34Å; L348-F434 HydrophobicContact CB-CZ 4.09Å; L348-F434 HydrophobicContact CD2-CE1 4.43Å; V429-F434 HydrophobicContact CG1-CE1 4.1Å; V429-F434 HydrophobicContact CG1-CZ 3.87Å; E431-F434 HydrophobicContact CB-CE1 4.5Å; E431-F434 HydrophobicContact CB-CZ 4.34Å; E431-F434 VanDerWaalsContact O-CE2 3.26Å; E431-F434 WeakPolarHBondContact O-CE2 3.46Å; E431-F434 WeakPolarHBondContact O-CZ 3.48Å; F434-Y466 AromaticContact CD1-CD2 3.98Å; F434-Y466 HydrophobicContact CD1-CD2 3.98Å; F434-Y466 HydrophobicContact CD1-CG 4.39Å; F434-Y466 AromaticContact CE1-CD2 3.61Å; F434-Y466 HydrophobicContact CE1-CD2 3.61Å; F434-Y466 HydrophobicContact CE1-CE2 4.17Å; F434-Y466 HydrophobicContact CE1-CG 4.09Å; F434-V467 CarbonylContact C-O 3.58Å; F434-V467 WeakPolarHBondContact CA-O 3.23Å
435	V	97.9	Very high	97.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-39.3	161	173.6	0	0	0	0	110.3	F311 L341 Y344 V467 I471 L476	F311-V435 HydrophobicContact CB-CG1 4Å; F311-V435 WeakPolarHBondContact CB-O 3.49Å; F311-V435 HydrophobicContact CD2-CG1 4.22Å; F311-V435 HydrophobicContact CG-CG1 4.42Å; F311-V435 PolarHBondContact N-O 2.83Å; L341-V435 HydrophobicContact CD1-CG1 3.74Å; Y344-V435 VanDerWaalsContact CD2-O 3.24Å; Y344-V435 WeakPolarHBondContact CD2-O 3.49Å; Y344-V435 WeakPolarHBondContact CE2-O 3.22Å; V435-V467 HydrophobicContact CB-CB 4.23Å; V435-V467 HydrophobicContact CB-CG1 4.15Å; V435-V467 HydrophobicContact CG2-CG1 4.47Å; V435-V467 PolarHBondContact N-O 3.48Å; V435-I471 HydrophobicContact CG2-CG2 3.7Å; V435-L476 HydrophobicContact CG1-CD2 3.94Å
436	L	97.9	Very high	97.2	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	155.4	176.6	64.3	92.8	0	0	0	111.9	W309 F311 V312 L438 Y466 V467	W309-L436 WeakPolarHBondContact O-CA 3.25Å; F311-L436 HydrophobicContact CB-CB 3.92Å; F311-L436 HydrophobicContact CB-CD2 4.08Å; V312-L436 HydrophobicContact CG2-CD2 4.27Å; L436-L438 HydrophobicContact CD1-CB 4.1Å; L436-Y466 VanDerWaalsContact O-CA 3.29Å; L436-Y466 WeakPolarHBondContact O-CA 3.48Å; L436-Y466 WeakPolarHBondContact O-CB 3.44Å; L436-V467 HydrophobicContact CD1-CG2 4.02Å; L436-V467 HydrophobicContact CD2-CB 4.38Å; L436-V467 HydrophobicContact CD2-CG2 3.99Å; L436-V467 HydrophobicContact CG-CB 3.98Å; L436-V467 HydrophobicContact CG-CG2 3.86Å; L436-V467 PolarHBondContact O-N 3.25Å
437	M	98.4	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.8	156.7	-176.1	-79.3	-69.2	0	0	107.7	L307 W309 L348 A439 L464 F465 L506	L307-M437 HydrophobicContact CD2-CE 4.05Å; L307-M437 HydrophobicContact CG-CE 4.1Å; W309-M437 HydrophobicContact CB-CB 4.46Å; W309-M437 HydrophobicContact CB-CE 4.3Å; W309-M437 HydrophobicContact CE3-CB 3.83Å; W309-M437 PolarHBondContact N-O 3.2Å; W309-M437 PolarHBondContact O-N 3.16Å; W309-M437 VanDerWaalsContact O-O 3.12Å; L348-M437 HydrophobicContact CD1-CG 4.17Å; L348-M437 HydrophobicContact CD2-CG 3.91Å; M437-A439 HydrophobicContact SD-CB 4.25Å; M437-L464 HydrophobicContact CG-CD1 3.79Å; M437-L464 HydrophobicContact SD-CD1 3.68Å; M437-F465 CarbonylContact C-O 3.6Å; M437-F465 WeakPolarHBondContact CA-O 3.37Å; M437-L506 HydrophobicContact CE-CB 4.1Å; M437-L506 HydrophobicContact CE-CD2 3.59Å; M437-L506 HydrophobicContact CE-CG 4.27Å
438	L	98.6	Very high	96.5	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	113.4	179.2	178.9	67.6	0	0	0	109.1	A308 V312 L436 M440 L445 F465	A308-L438 HydrophobicContact CB-CD1 3.77Å; V312-L438 HydrophobicContact CG1-CD1 4.24Å; L436-L438 HydrophobicContact CD1-CB 4.1Å; L438-M440 HydrophobicContact CD1-CG 4.46Å; L438-M440 HydrophobicContact CD1-SD 3.75Å; L438-M440 HydrophobicContact CD2-CG 3.82Å; L438-M440 HydrophobicContact CD2-SD 3.76Å; L438-M440 HydrophobicContact CG-CG 3.84Å; L438-M440 HydrophobicContact CG-SD 3.76Å; L438-L445 HydrophobicContact CD1-CD1 4.23Å; L438-L445 HydrophobicContact CD2-CD2 4.07Å; L438-F465 HydrophobicContact CB-CB 4.38Å; L438-F465 PolarHBondContact N-O 3.35Å; L438-F465 PolarHBondContact O-N 2.98Å
439	A	98.6	Very high	96.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.4	170.2	0	0	0	0	0	108.9	S306 L307 M437 H441 I462 L504	S306-A439 CarbonylContact C-O 3.53Å; S306-A439 WeakPolarHBondContact CA-O 3.34Å; L307-A439 HydrophobicContact CB-CB 4.11Å; L307-A439 PolarHBondContact N-O 3.42Å; L307-A439 PolarHBondContact O-N 3.48Å; M437-A439 HydrophobicContact SD-CB 4.25Å; A439-H441 PolarHBondContact O-CE1 3.25Å; A439-H441 VanDerWaalsContact O-CE1 3.26Å; A439-H441 PolarHBondContact O-ND1 3.4Å; A439-H441 VanDerWaalsContact O-ND1 3.16Å; A439-I462 HydrophobicContact CB-CG2 3.55Å; A439-L504 HydrophobicContact CB-CD2 3.66Å
440	M	98.4	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.9	177.2	-67.5	-56.9	-61.2	0	0	111.2	L305 L438 Q442 H444 L445 A451 A452 H463 F465	L305-M440 HydrophobicContact CD1-CE 4.25Å; L438-M440 HydrophobicContact CD1-CG 4.46Å; L438-M440 HydrophobicContact CD1-SD 3.75Å; L438-M440 HydrophobicContact CD2-CG 3.82Å; L438-M440 HydrophobicContact CD2-SD 3.76Å; L438-M440 HydrophobicContact CG-CG 3.84Å; L438-M440 HydrophobicContact CG-SD 3.76Å; M440-Q442 WeakPolarHBondContact CE-O 3.28Å; M440-H444 VanDerWaalsContact CE-O 3.24Å; M440-H444 WeakPolarHBondContact CE-O 3.36Å; M440-L445 HydrophobicContact CE-CB 4.03Å; M440-L445 HydrophobicContact CE-CD1 4.27Å; M440-L445 HydrophobicContact SD-CB 4.3Å; M440-L445 HydrophobicContact SD-CD1 3.87Å; M440-A451 HydrophobicContact CE-CB 4.3Å; M440-A451 HydrophobicContact CG-CB 4.04Å; M440-A451 HydrophobicContact SD-CB 4.35Å; M440-A452 HydrophobicContact CB-CB 4.06Å; M440-H463 HydrophobicContact CB-CB 4.17Å; M440-H463 PolarHBondContact N-O 2.91Å; M440-H463 WeakPolarHBondContact O-CB 3.49Å; M440-H463 PolarHBondContact O-N 2.81Å; M440-F465 HydrophobicContact CB-CE2 4.07Å; M440-F465 HydrophobicContact CG-CD2 4.13Å; M440-F465 HydrophobicContact CG-CE2 3.97Å
441	H	97.6	Very high	96.2	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.023	10%	0.1	C	C	.	.	S	Bend	trans	-112.3	-18.3	-179.5	-46.7	24.7	0	0	0	109.7	V291 S303 F304 L305 A439	V291-H441 VanDerWaalsContact CB-CD2 3.47Å; V291-H441 WeakPolarHBondContact CB-CD2 3.45Å; V291-H441 VanDerWaalsContact CB-NE2 3.31Å; V291-H441 WeakPolarHBondContact CB-NE2 3.29Å; V291-H441 WeakPolarHBondContact CG2-CD2 2.94Å; V291-H441 WeakPolarHBondContact CG2-NE2 3.5Å; S303-H441 WeakPolarHBondContact CB-NE2 3.4Å; S303-H441 PolarHBondContact OG-CD2 2.91Å; S303-H441 VanDerWaalsContact OG-CD2 3.31Å; S303-H441 PolarHBondContact OG-NE2 3.14Å; F304-H441 WeakPolarHBondContact O-CB 3.17Å; L305-H441 WeakPolarHBondContact O-CB 3.44Å; L305-H441 PolarHBondContact O-N 2.81Å; L305-H441 PolarHBondContact O-ND1 2.86Å; A439-H441 PolarHBondContact O-CE1 3.25Å; A439-H441 VanDerWaalsContact O-CE1 3.26Å; A439-H441 PolarHBondContact O-ND1 3.4Å; A439-H441 VanDerWaalsContact O-ND1 3.16Å
442	Q	97.7	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-131.3	167.4	179	-53	-62.4	-27.9	0	0	110.2	L254 S257 F304 L305 M440 H444	L254-Q442 HydrophobicContact CD1-CB 4.49Å; L254-Q442 HydrophobicContact CD1-CG 3.73Å; S257-Q442 WeakPolarHBondContact OG-CB 3.43Å; F304-Q442 VanDerWaalsContact O-CG 3.23Å; F304-Q442 WeakPolarHBondContact O-CG 3.35Å; F304-Q442 PolarHBondContact O-NE2 2.88Å; L305-Q442 HydrophobicContact CD1-CB 4.05Å; L305-Q442 HydrophobicContact CD1-CG 4.26Å; M440-Q442 WeakPolarHBondContact CE-O 3.28Å; Q442-H444 PolarHBondContact O-N 3.48Å
443	S	97.6	Very high	96.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-67.6	-37.8	-172.5	57.9	0	0	0	0	114.2	S257 Y261 L450 A451 A452	S257-S443 WeakPolarHBondContact CA-OG 3.47Å; S257-S443 WeakPolarHBondContact CB-OG 3.23Å; S257-S443 PolarHBondContact OG-N 2.78Å; S257-S443 PolarHBondContact OG-OG 3.01Å; Y261-S443 VanDerWaalsContact OH-CB 3.31Å; Y261-S443 WeakPolarHBondContact OH-CB 3.31Å; Y261-S443 PolarHBondContact OH-N 3.36Å; Y261-S443 PolarHBondContact OH-OG 2.83Å; S443-L450 CarbonylContact O-C 3.57Å; S443-A451 PolarHBondContact O-N 2.65Å; S443-A452 VanDerWaalsContact CA-O 3.25Å; S443-A452 WeakPolarHBondContact CA-O 3.46Å; S443-A452 WeakPolarHBondContact CB-O 3.24Å; S443-A452 PolarHBondContact O-N 3.42Å
444	H	97.6	Very high	96.2	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.4	-175	-69.9	66.8	0	0	0	111.4	A253 A256 S257 Y260 L305 M440 Q442 A446 L449	A253-H444 WeakPolarHBondContact CB-O 3.31Å; A256-H444 HydrophobicContact CB-CB 4.02Å; S257-H444 WeakPolarHBondContact OG-CB 3.43Å; S257-H444 PolarHBondContact OG-N 2.74Å; Y260-H444 VanDerWaalsContact CB-CE1 3.42Å; Y260-H444 WeakPolarHBondContact CB-CE1 3.47Å; Y260-H444 AromaticContact CD2-CE1 3.96Å; Y260-H444 AromaticContact CG-CE1 3.62Å; L305-H444 WeakPolarHBondContact CD1-O 3.47Å; M440-H444 VanDerWaalsContact CE-O 3.24Å; M440-H444 WeakPolarHBondContact CE-O 3.36Å; Q442-H444 PolarHBondContact O-N 3.48Å; H444-A446 WeakPolarHBondContact CB-O 3.44Å; H444-A446 PolarHBondContact CD2-O 3.15Å; H444-L449 CarbonylContact C-O 3.57Å; H444-L449 VanDerWaalsContact CA-O 3.26Å; H444-L449 WeakPolarHBondContact CA-O 3.33Å
445	L	95.6	Very high	96.1	Very high	27 Å²	27	13.3 Å²	13.3	14%	0.141	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-26.3	166.7	178.9	63.9	0	0	0	111.6	A253 V312 L438 M440 L449 A451	A253-L445 WeakPolarHBondContact CB-O 3.15Å; V312-L445 HydrophobicContact CG1-CD1 4.38Å; V312-L445 HydrophobicContact CG1-CD2 4.04Å; L438-L445 HydrophobicContact CD1-CD1 4.23Å; L438-L445 HydrophobicContact CD2-CD2 4.07Å; M440-L445 HydrophobicContact CE-CB 4.03Å; M440-L445 HydrophobicContact CE-CD1 4.27Å; M440-L445 HydrophobicContact SD-CB 4.3Å; M440-L445 HydrophobicContact SD-CD1 3.87Å; L445-L449 HydrophobicContact CB-CB 4.27Å; L445-L449 PolarHBondContact N-O 2.74Å; L445-A451 HydrophobicContact CB-CB 3.84Å
446	A	91.9	Very high	96	Very high	5 Å²	5	21.9 Å²	21.9	4%	0.041	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	171.9	172.6	0	0	0	0	0	108.9	H444 D448 L449	H444-A446 WeakPolarHBondContact CB-O 3.44Å; H444-A446 PolarHBondContact CD2-O 3.15Å; A446-D448 PolarHBondContact O-N 3.49Å; A446-L449 HydrophobicContact CB-CB 4.14Å; A446-L449 HydrophobicContact CB-CD1 4.02Å; A446-L449 HydrophobicContact CB-CG 4.15Å; A446-L449 PolarHBondContact O-N 2.85Å
447	E	90.9	Very high	95.8	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.084	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-27.2	-179.7	-69.7	-172.5	-161.8	0	0	114.1	N252 Q266 R268 G269 L272	N252-E447 HydrophobicContact CB-CG 3.89Å; N252-E447 PolarHBondContact ND2-OE1 3.26Å; Q266-E447 PolarHBondContact NE2-O 3.22Å; R268-E447 VanDerWaalsContact CA-OE2 3.3Å; R268-E447 WeakPolarHBondContact CA-OE2 3.29Å; R268-E447 VanDerWaalsContact CB-OE2 3.29Å; R268-E447 WeakPolarHBondContact CB-OE2 3.3Å; R268-E447 HydrophobicContact CG-CB 4.35Å; G269-E447 PolarHBondContact N-OE2 2.93Å; L272-E447 HydrophobicContact CD2-CG 3.9Å
448	D	88.8	Confident	95.6	Very high	33 Å²	33	24.3 Å²	24.3	18%	0.176	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	7.5	-176.3	64.6	-25.7	0	0	0	114.2	R268 A446 E484	R268-D448 IonicContact NH1-OD2 3.59Å; A446-D448 PolarHBondContact O-N 3.49Å; D448-E484 VanDerWaalsContact O-CA 3.28Å; D448-E484 WeakPolarHBondContact O-CA 3.45Å
449	L	93.4	Very high	95.5	Very high	31 Å²	31	26.1 Å²	26.1	16%	0.162	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	95.2	-176.9	-64.1	177.8	0	0	0	110.7	H444 L445 A446 A451 M483	H444-L449 CarbonylContact C-O 3.57Å; H444-L449 VanDerWaalsContact CA-O 3.26Å; H444-L449 WeakPolarHBondContact CA-O 3.33Å; L445-L449 HydrophobicContact CB-CB 4.27Å; L445-L449 PolarHBondContact N-O 2.74Å; A446-L449 HydrophobicContact CB-CB 4.14Å; A446-L449 HydrophobicContact CB-CD1 4.02Å; A446-L449 HydrophobicContact CB-CG 4.15Å; A446-L449 PolarHBondContact O-N 2.85Å; L449-A451 PolarHBondContact O-N 3.08Å; L449-A451 VanDerWaalsContact O-N 3.08Å; L449-M483 HydrophobicContact CB-CG 4.48Å; L449-M483 HydrophobicContact CB-SD 4.28Å; L449-M483 HydrophobicContact CD2-SD 4.5Å
450	L	96.1	Very high	95.4	Very high	9 Å²	9	27 Å²	27	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	81.7	174.6	-178.5	58.6	0	0	0	109.6	Y260 S443 P453 M483 H488	Y260-L450 HydrophobicContact CE1-CD1 4.28Å; Y260-L450 HydrophobicContact CE2-CD2 4.06Å; S443-L450 CarbonylContact O-C 3.57Å; L450-P453 HydrophobicContact CD2-CB 4.17Å; L450-P453 HydrophobicContact CD2-CG 4.39Å; L450-P453 HydrophobicContact CG-CB 4.17Å; L450-P453 HydrophobicContact CG-CG 4.07Å; L450-M483 WeakPolarHBondContact CB-O 3.36Å; L450-M483 PolarHBondContact N-O 3.4Å; L450-M483 WeakPolarHBondContact O-CG 3.34Å; L450-H488 PolarHBondContact O-CE1 3.12Å; L450-H488 VanDerWaalsContact O-CE1 3.24Å
451	A	97.1	Very high	95.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.148	C	C	.	.	S	Bend	trans	-76.3	-33.8	-175.3	0	0	0	0	0	113.6	M440 S443 L445 L449 F465 M483 H488	M440-A451 HydrophobicContact CE-CB 4.3Å; M440-A451 HydrophobicContact CG-CB 4.04Å; M440-A451 HydrophobicContact SD-CB 4.35Å; S443-A451 PolarHBondContact O-N 2.65Å; L445-A451 HydrophobicContact CB-CB 3.84Å; L449-A451 PolarHBondContact O-N 3.08Å; L449-A451 VanDerWaalsContact O-N 3.08Å; A451-F465 WeakPolarHBondContact O-CZ 3.34Å; A451-M483 HydrophobicContact CB-CE 4.5Å; A451-M483 HydrophobicContact CB-CG 4.47Å; A451-M483 HydrophobicContact CB-SD 3.89Å; A451-H488 PolarHBondContact O-CE1 2.97Å; A451-H488 PolarHBondContact O-NE2 3.01Å; A451-H488 VanDerWaalsContact O-NE2 3.08Å
452	A	97.7	Very high	95.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.			trans	-128.3	78.4	177.9	0	0	0	0	0	111	M440 S443 N454 A455 H463 F465	M440-A452 HydrophobicContact CB-CB 4.06Å; S443-A452 VanDerWaalsContact CA-O 3.25Å; S443-A452 WeakPolarHBondContact CA-O 3.46Å; S443-A452 WeakPolarHBondContact CB-O 3.24Å; S443-A452 PolarHBondContact O-N 3.42Å; A452-N454 PolarHBondContact O-N 3.15Å; A452-A455 HydrophobicContact CB-CB 3.82Å; A452-A455 WeakPolarHBondContact O-CB 3.46Å; A452-A455 PolarHBondContact O-N 3.35Å; A452-H463 HydrophobicContact CB-CB 4.06Å; A452-F465 HydrophobicContact CB-CE2 4.09Å; A452-F465 HydrophobicContact CB-CZ 4.11Å
453	P	95.6	Very high	95.4	Very high	23 Å²	23	27.6 Å²	27.6	15%	0.149	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.1	-174.3	-20.6	27.8	0	0	0	114.4	L450 G486	L450-P453 HydrophobicContact CD2-CB 4.17Å; L450-P453 HydrophobicContact CD2-CG 4.39Å; L450-P453 HydrophobicContact CG-CB 4.17Å; L450-P453 HydrophobicContact CG-CG 4.07Å; P453-G486 VanDerWaalsContact CG-O 3.23Å; P453-G486 WeakPolarHBondContact CG-O 3.32Å
454	N	93.9	Very high	95.5	Very high	105 Å²	105	27.6 Å²	27.6	56%	0.561	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.9	-176	-63.8	-42	0	0	0	113.9	A452	A452-N454 PolarHBondContact O-N 3.15Å
455	A	96.5	Very high	95.5	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.025	15%	0.149	C	C	.	.			trans	-71.6	147.4	178.6	0	0	0	0	0	110.9	Y261 A452 D459 H463	Y261-A455 WeakPolarHBondContact CE1-O 3.36Å; Y261-A455 PolarHBondContact OH-O 3.24Å; A452-A455 HydrophobicContact CB-CB 3.82Å; A452-A455 WeakPolarHBondContact O-CB 3.46Å; A452-A455 PolarHBondContact O-N 3.35Å; A455-D459 WeakPolarHBondContact CA-OD2 3.46Å; A455-H463 WeakPolarHBondContact CA-NE2 3.37Å
456	R	95.3	Very high	95.7	Very high	181 Å²	181	27.3 Å²	27.3	68%	0.683	14%	0.144	S	C	*	.			trans	-123.5	164.7	170.2	-55.8	178.7	176.5	-178.1	-2.3	109.2	A458 D459	R456-A458 PolarHBondContact O-N 2.98Å; R456-D459 HydrophobicContact CB-CB 4.07Å; R456-D459 PolarHBondContact N-OD2 2.92Å
457	L	94.9	Very high	96	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.079	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.8	179.1	-74	170.6	0	0	0	113.1	L254 V258 Y261 H287 M288 D289 V538	L254-L457 HydrophobicContact CD1-CD2 4.43Å; V258-L457 HydrophobicContact CG2-CD2 4.37Å; Y261-L457 HydrophobicContact CD2-CD1 4.23Å; Y261-L457 HydrophobicContact CD2-CD2 3.87Å; Y261-L457 HydrophobicContact CD2-CG 3.6Å; Y261-L457 HydrophobicContact CE2-CD2 3.76Å; Y261-L457 HydrophobicContact CE2-CG 3.77Å; H287-L457 VanDerWaalsContact O-CB 3.31Å; H287-L457 WeakPolarHBondContact O-CB 3.34Å; M288-L457 CarbonylContact C-O 3.28Å; M288-L457 VanDerWaalsContact CA-O 3.27Å; M288-L457 WeakPolarHBondContact CA-O 3.4Å; M288-L457 HydrophobicContact CG-CD2 4.16Å; M288-L457 HydrophobicContact SD-CD2 4.31Å; D289-L457 PolarHBondContact N-O 2.91Å; L457-V538 HydrophobicContact CD1-CG1 3.79Å; L457-V538 HydrophobicContact CD2-CG1 3.83Å; L457-V538 HydrophobicContact CG-CG1 4.42Å
458	A	94.8	Very high	96.3	Very high	47 Å²	47	27.2 Å²	27.2	39%	0.388	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	62.9	-177.4	0	0	0	0	0	112.6	H287 D289 R456	H287-A458 HydrophobicContact CB-CB 4.19Å; D289-A458 VanDerWaalsContact CG-CA 3.47Å; D289-A458 WeakPolarHBondContact OD1-CA 3.47Å; D289-A458 WeakPolarHBondContact OD1-CB 3.24Å; D289-A458 WeakPolarHBondContact OD2-CA 3.35Å; R456-A458 PolarHBondContact O-N 2.98Å
459	D	95.4	Very high	96.7	Very high	44 Å²	44	26.6 Å²	26.6	24%	0.235	14%	0.144	C	C	.	.			trans	-93.1	2.2	175.2	56.8	18.9	0	0	0	114.1	D289 A455 R456 V461 H463	D289-D459 PolarHBondContact OD2-N 3.43Å; A455-D459 WeakPolarHBondContact CA-OD2 3.46Å; R456-D459 HydrophobicContact CB-CB 4.07Å; R456-D459 PolarHBondContact N-OD2 2.92Å; D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 HydrophobicContact CB-CG2 4.4Å; D459-V461 PolarHBondContact O-N 3.33Å; D459-V461 VanDerWaalsContact OD1-CG2 3.26Å; D459-V461 WeakPolarHBondContact OD1-CG2 3.47Å; D459-H463 IonicContact OD2-NE2 3.7Å; D459-H463 PolarHBondContact OD2-NE2 2.98Å
460	G	96.4	Very high	96.8	Very high	20 Å²	20	28.2 Å²	28.2	21%	0.206	17%	0.168	C	C	.	.	S	Bend	trans	69.5	22.3	172.9	0	0	0	0	0	113.5	D289 V531	D289-G460 VanDerWaalsContact OD2-CA 3.27Å; D289-G460 WeakPolarHBondContact OD2-CA 3.25Å; D289-G460 PolarHBondContact OD2-N 3.39Å; G460-V531 VanDerWaalsContact O-CG1 3.3Å; G460-V531 WeakPolarHBondContact O-CG1 3.13Å
461	V	97.9	Very high	96.9	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.097	17%	0.168	C	C	.	.			trans	-136.3	155.5	-177.5	-61.3	0	0	0	0	112.6	A353 D459 K500 V501	A353-V461 HydrophobicContact CB-CG1 3.57Å; D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 HydrophobicContact CB-CG2 4.4Å; D459-V461 PolarHBondContact O-N 3.33Å; D459-V461 VanDerWaalsContact OD1-CG2 3.26Å; D459-V461 WeakPolarHBondContact OD1-CG2 3.47Å; V461-K500 HydrophobicContact CB-CB 4.38Å; V461-K500 HydrophobicContact CG1-CB 4.44Å; V461-K500 HydrophobicContact CG2-CB 4.44Å; V461-K500 HydrophobicContact CG2-CD 4.27Å; V461-K500 HydrophobicContact CG2-CG 4.39Å; V461-V501 WeakPolarHBondContact CA-O 3.45Å
462	I	98.6	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.9	165.1	-53.5	175.9	0	0	0	106.9	V291 A439 L464 V501 L504 A529 V531	V291-I462 HydrophobicContact CG1-CD1 3.95Å; V291-I462 HydrophobicContact CG2-CD1 4.08Å; V291-I462 HydrophobicContact CG2-CG1 3.96Å; A439-I462 HydrophobicContact CB-CG2 3.55Å; I462-L464 PolarHBondContact O-N 3.23Å; I462-V501 HydrophobicContact CB-CG2 3.76Å; I462-V501 HydrophobicContact CG2-CG2 4.27Å; I462-V501 PolarHBondContact N-O 2.93Å; I462-V501 PolarHBondContact O-N 3.2Å; I462-L504 HydrophobicContact CD1-CD2 4.44Å; I462-L504 HydrophobicContact CG2-CD2 4.18Å; I462-A529 HydrophobicContact CD1-CB 4.47Å; I462-V531 HydrophobicContact CD1-CB 4.4Å; I462-V531 HydrophobicContact CG1-CB 3.97Å
463	H	98.4	Very high	96.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	94.8	170.9	-72.1	-112.7	0	0	0	109	M440 A452 A455 D459 F465 H498	M440-H463 HydrophobicContact CB-CB 4.17Å; M440-H463 PolarHBondContact N-O 2.91Å; M440-H463 WeakPolarHBondContact O-CB 3.49Å; M440-H463 PolarHBondContact O-N 2.81Å; A452-H463 HydrophobicContact CB-CB 4.06Å; A455-H463 WeakPolarHBondContact CA-NE2 3.37Å; D459-H463 IonicContact OD2-NE2 3.7Å; D459-H463 PolarHBondContact OD2-NE2 2.98Å; H463-F465 HydrophobicContact CB-CE2 3.69Å; H463-F465 HydrophobicContact CB-CZ 4.13Å; H463-F465 WeakPolarHBondContact O-CD2 3.4Å; H463-F465 WeakPolarHBondContact O-CE2 3.5Å; H463-H498 AromaticContact CG-NE2 3.93Å; H463-H498 AromaticContact ND1-CE1 3.76Å; H463-H498 AromaticContact ND1-NE2 3.31Å; H463-H498 PolarHBondContact ND1-NE2 3.15Å
464	L	98.6	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.9	-179.1	177.9	59.2	0	0	0	110.2	L348 Y350 M437 I462 H498 E499 V501 L504	L348-L464 HydrophobicContact CD2-CD1 4.45Å; L348-L464 HydrophobicContact CD2-CD2 4.35Å; Y350-L464 HydrophobicContact CD1-CD2 3.63Å; Y350-L464 HydrophobicContact CE1-CD2 4.37Å; Y350-L464 HydrophobicContact CG-CD2 3.84Å; M437-L464 HydrophobicContact CG-CD1 3.79Å; M437-L464 HydrophobicContact SD-CD1 3.68Å; I462-L464 PolarHBondContact O-N 3.23Å; L464-H498 CarbonylContact O-C 3.52Å; L464-H498 WeakPolarHBondContact O-CA 3.45Å; L464-E499 PolarHBondContact N-O 3.45Å; L464-E499 PolarHBondContact O-N 3.43Å; L464-V501 HydrophobicContact CB-CG1 4.13Å; L464-V501 HydrophobicContact CB-CG2 4.03Å; L464-V501 HydrophobicContact CD2-CG1 4.12Å; L464-V501 HydrophobicContact CD2-CG2 4.45Å; L464-L504 HydrophobicContact CD1-CD2 4.17Å
465	F	98.5	Very high	96.8	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.2	170.6	-56	-86	0	0	0	109.7	M437 L438 M440 A451 A452 H463 L489 V497 H498	M437-F465 CarbonylContact C-O 3.6Å; M437-F465 WeakPolarHBondContact CA-O 3.37Å; L438-F465 HydrophobicContact CB-CB 4.38Å; L438-F465 PolarHBondContact N-O 3.35Å; L438-F465 PolarHBondContact O-N 2.98Å; M440-F465 HydrophobicContact CB-CE2 4.07Å; M440-F465 HydrophobicContact CG-CD2 4.13Å; M440-F465 HydrophobicContact CG-CE2 3.97Å; A451-F465 WeakPolarHBondContact O-CZ 3.34Å; A452-F465 HydrophobicContact CB-CE2 4.09Å; A452-F465 HydrophobicContact CB-CZ 4.11Å; H463-F465 HydrophobicContact CB-CE2 3.69Å; H463-F465 HydrophobicContact CB-CZ 4.13Å; H463-F465 WeakPolarHBondContact O-CD2 3.4Å; H463-F465 WeakPolarHBondContact O-CE2 3.5Å; F465-L489 HydrophobicContact CD1-CD2 4.24Å; F465-L489 HydrophobicContact CE1-CD1 4.39Å; F465-L489 HydrophobicContact CE1-CD2 3.7Å; F465-V497 VanDerWaalsContact CA-O 3.29Å; F465-V497 WeakPolarHBondContact CA-O 3.21Å; F465-H498 HydrophobicContact CD1-CB 3.72Å; F465-H498 AromaticContact CD1-CD2 3.72Å; F465-H498 AromaticContact CD1-CG 3.86Å; F465-H498 HydrophobicContact CE1-CB 3.63Å; F465-H498 AromaticContact CE1-CD2 3.19Å; F465-H498 WeakPolarHBondContact CE1-CD2 3.26Å; F465-H498 AromaticContact CE1-CG 3.31Å; F465-H498 AromaticContact CE1-NE2 3.9Å; F465-H498 AromaticContact CZ-CD2 3.45Å; F465-H498 VanDerWaalsContact CZ-CD2 3.45Å; F465-H498 WeakPolarHBondContact CZ-CD2 3.27Å; F465-H498 AromaticContact CZ-CG 3.97Å; F465-H498 AromaticContact CZ-NE2 3.75Å
466	Y	98.5	Very high	96.7	Very high	14 Å²	14	35.6 Å²	35.6	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.8	164.6	60.9	-90.4	0	0	0	110.4	L348 V429 F434 L436 T468 V497	L348-Y466 HydrophobicContact CD2-CD1 3.79Å; L348-Y466 HydrophobicContact CD2-CE1 4.35Å; L348-Y466 HydrophobicContact CD2-CG 4.07Å; V429-Y466 HydrophobicContact CG1-CE2 3.99Å; V429-Y466 HydrophobicContact CG2-CE1 4.25Å; F434-Y466 AromaticContact CD1-CD2 3.98Å; F434-Y466 HydrophobicContact CD1-CD2 3.98Å; F434-Y466 HydrophobicContact CD1-CG 4.39Å; F434-Y466 AromaticContact CE1-CD2 3.61Å; F434-Y466 HydrophobicContact CE1-CD2 3.61Å; F434-Y466 HydrophobicContact CE1-CE2 4.17Å; F434-Y466 HydrophobicContact CE1-CG 4.09Å; L436-Y466 VanDerWaalsContact O-CA 3.29Å; L436-Y466 WeakPolarHBondContact O-CA 3.48Å; L436-Y466 WeakPolarHBondContact O-CB 3.44Å; Y466-T468 HydrophobicContact CD2-CG2 4.15Å; Y466-T468 HydrophobicContact CE2-CG2 4.08Å; Y466-V497 HydrophobicContact CD1-CB 4.01Å; Y466-V497 HydrophobicContact CD1-CG1 4.29Å; Y466-V497 HydrophobicContact CD2-CB 4.08Å; Y466-V497 HydrophobicContact CD2-CG2 4.21Å; Y466-V497 HydrophobicContact CE1-CB 3.57Å; Y466-V497 HydrophobicContact CE1-CG1 3.49Å; Y466-V497 VanDerWaalsContact CE1-CG1 3.49Å; Y466-V497 HydrophobicContact CE1-CG2 4.29Å; Y466-V497 HydrophobicContact CE2-CB 3.66Å; Y466-V497 HydrophobicContact CE2-CG1 4.28Å; Y466-V497 HydrophobicContact CE2-CG2 3.53Å; Y466-V497 HydrophobicContact CG-CB 4.26Å; Y466-V497 PolarHBondContact N-O 3.5Å; Y466-V497 VanDerWaalsContact N-O 3.11Å; Y466-V497 PolarHBondContact O-N 3.22Å; Y466-V497 WeakPolarHBondContact OH-CG1 3.47Å
467	V	98.4	Very high	96.7	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120	175	-178.3	0	0	0	0	108.4	F434 V435 L436 I471 H495 L496	F434-V467 CarbonylContact C-O 3.58Å; F434-V467 WeakPolarHBondContact CA-O 3.23Å; V435-V467 HydrophobicContact CB-CB 4.23Å; V435-V467 HydrophobicContact CB-CG1 4.15Å; V435-V467 HydrophobicContact CG2-CG1 4.47Å; V435-V467 PolarHBondContact N-O 3.48Å; L436-V467 HydrophobicContact CD1-CG2 4.02Å; L436-V467 HydrophobicContact CD2-CB 4.38Å; L436-V467 HydrophobicContact CD2-CG2 3.99Å; L436-V467 HydrophobicContact CG-CB 3.98Å; L436-V467 HydrophobicContact CG-CG2 3.86Å; L436-V467 PolarHBondContact O-N 3.25Å; V467-I471 HydrophobicContact CG1-CB 4.15Å; V467-I471 HydrophobicContact CG1-CD1 3.73Å; V467-I471 HydrophobicContact CG1-CG2 3.75Å; V467-H495 CarbonylContact C-O 3.51Å; V467-H495 VanDerWaalsContact CA-O 3.23Å; V467-H495 WeakPolarHBondContact CA-O 3.37Å; V467-H495 HydrophobicContact CG1-CB 4.2Å; V467-L496 HydrophobicContact CG2-CD1 3.83Å
468	T	97.9	Very high	96.8	Very high	17 Å²	17	36.4 Å²	36.4	10%	0.104	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	158.9	-180	75.1	0	0	0	0	111.1	E431 Y466 H495	E431-T468 HydrophobicContact CB-CG2 4.3Å; E431-T468 HydrophobicContact CG-CG2 3.86Å; Y466-T468 HydrophobicContact CD2-CG2 4.15Å; Y466-T468 HydrophobicContact CE2-CG2 4.08Å; T468-H495 PolarHBondContact N-O 2.91Å; T468-H495 PolarHBondContact OG1-ND1 2.92Å
469	A	96.7	Very high	96.8	Very high	20 Å²	20	34.5 Å²	34.5	17%	0.165	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	156.6	165.9	0	0	0	0	0	111.4	I343 E433 H495	I343-A469 HydrophobicContact CD1-CB 4.09Å; I343-A469 HydrophobicContact CG1-CB 4.3Å; I343-A469 HydrophobicContact CG2-CB 3.99Å; E433-A469 HydrophobicContact CB-CB 3.64Å; E433-A469 WeakPolarHBondContact O-CB 3.34Å; E433-A469 PolarHBondContact O-N 3.39Å; A469-H495 PolarHBondContact O-ND1 3.03Å
470	G	95.6	Very high	96.7	Very high	65 Å²	65	33.7 Å²	33.7	67%	0.67	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.9	-16.8	-177.6	0	0	0	0	0	114.9	S472	G470-S472 PolarHBondContact O-N 3.22Å
471	I	97.2	Very high	96.6	Very high	10 Å²	10	38 Å²	38	5%	0.051	21%	0.209	C	C	.	.			trans	-61.7	136.2	175	-166.1	172	0	0	0	111.7	V435 V467 A475 L476 L479 H495	V435-I471 HydrophobicContact CG2-CG2 3.7Å; V467-I471 HydrophobicContact CG1-CB 4.15Å; V467-I471 HydrophobicContact CG1-CD1 3.73Å; V467-I471 HydrophobicContact CG1-CG2 3.75Å; I471-A475 HydrophobicContact CD1-CB 4.19Å; I471-A475 HydrophobicContact CG1-CB 3.77Å; I471-L476 HydrophobicContact CD1-CB 4Å; I471-L476 HydrophobicContact CD1-CD1 4.32Å; I471-L476 HydrophobicContact CG1-CB 4.4Å; I471-L479 HydrophobicContact CD1-CD1 3.78Å; I471-H495 HydrophobicContact CB-CB 3.84Å; I471-H495 HydrophobicContact CD1-CB 4.16Å; I471-H495 HydrophobicContact CG1-CB 4.18Å
472	S	96.1	Very high	96.5	Very high	58 Å²	58	38.3 Å²	38.3	41%	0.406	21%	0.213	S	C	.	.			trans	-76.1	150.5	173.7	75.8	0	0	0	0	111.7	G470 S474 A475 L476	G470-S472 PolarHBondContact O-N 3.22Å; S472-S474 PolarHBondContact O-N 3.34Å; S472-S474 PolarHBondContact OG-OG 3.17Å; S472-A475 PolarHBondContact O-N 3.05Å; S472-A475 VanDerWaalsContact O-N 3.08Å; S472-A475 WeakPolarHBondContact OG-CB 3.43Å; S472-A475 PolarHBondContact OG-N 3.14Å; S472-A475 VanDerWaalsContact OG-N 3.13Å; S472-L476 PolarHBondContact O-N 2.68Å
473	R	95.7	Very high	96.3	Very high	142 Å²	142	39.2 Å²	39.2	54%	0.536	22%	0.217	S	C	.	.	H	α-helix	trans	-55.6	-36.4	175.5	-65.2	176	-176.1	134.3	2.3	112.6	L338 L341 L477	L338-R473 HydrophobicContact CD1-CB 4.45Å; L338-R473 HydrophobicContact CG-CB 4.27Å; L338-R473 VanDerWaalsContact O-CD 3.23Å; L338-R473 WeakPolarHBondContact O-CD 3.45Å; L338-R473 PolarHBondContact O-NE 2.83Å; L341-R473 HydrophobicContact CB-CG 4.41Å; L341-R473 HydrophobicContact CD2-CG 4.19Å; R473-L477 WeakPolarHBondContact O-CB 3.43Å; R473-L477 PolarHBondContact O-N 2.92Å
474	S	94.6	Very high	96	Very high	73 Å²	73	43 Å²	43	51%	0.51	24%	0.235	S	C	.	.	H	α-helix	trans	-73.3	-33.4	178.3	60	0	0	0	0	112.9	S472 R478	S472-S474 PolarHBondContact O-N 3.34Å; S472-S474 PolarHBondContact OG-OG 3.17Å; S474-R478 WeakPolarHBondContact O-CG 3.2Å; S474-R478 PolarHBondContact O-N 2.85Å; S474-R478 VanDerWaalsContact O-N 3.11Å; S474-R478 PolarHBondContact O-NE 2.92Å
475	A	95.9	Very high	95.6	Very high	11 Å²	11	51.3 Å²	51.3	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-46.4	171.1	0	0	0	0	0	110.8	I471 S472 L477 R478 L479	I471-A475 HydrophobicContact CD1-CB 4.19Å; I471-A475 HydrophobicContact CG1-CB 3.77Å; S472-A475 PolarHBondContact O-N 3.05Å; S472-A475 VanDerWaalsContact O-N 3.08Å; S472-A475 WeakPolarHBondContact OG-CB 3.43Å; S472-A475 PolarHBondContact OG-N 3.14Å; S472-A475 VanDerWaalsContact OG-N 3.13Å; A475-L477 PolarHBondContact O-N 2.81Å; A475-R478 WeakPolarHBondContact O-CB 3.5Å; A475-R478 PolarHBondContact O-N 3Å; A475-R478 VanDerWaalsContact O-N 3.13Å; A475-L479 PolarHBondContact O-N 3.05Å
476	L	96.3	Very high	95.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-40.6	177.4	-175.6	58.4	0	0	0	112.3	F311 L338 L341 V435 I471 S472 R478 L479 F480	F311-L476 HydrophobicContact CD2-CD2 4.26Å; F311-L476 HydrophobicContact CE2-CD2 4.11Å; L338-L476 HydrophobicContact CD1-CB 3.98Å; L338-L476 HydrophobicContact CD1-CD2 3.76Å; L338-L476 HydrophobicContact CD1-CG 3.85Å; L341-L476 HydrophobicContact CD1-CD2 3.64Å; L341-L476 HydrophobicContact CD2-CD2 4.38Å; V435-L476 HydrophobicContact CG1-CD2 3.94Å; I471-L476 HydrophobicContact CD1-CB 4Å; I471-L476 HydrophobicContact CD1-CD1 4.32Å; I471-L476 HydrophobicContact CG1-CB 4.4Å; S472-L476 PolarHBondContact O-N 2.68Å; L476-R478 VanDerWaalsContact C-N 3.35Å; L476-R478 PolarHBondContact O-N 2.75Å; L476-L479 HydrophobicContact CD1-CD1 4.37Å; L476-L479 WeakPolarHBondContact O-CB 3.38Å; L476-L479 PolarHBondContact O-N 2.88Å; L476-F480 HydrophobicContact CD1-CD2 4.23Å; L476-F480 HydrophobicContact CD1-CE2 3.64Å; L476-F480 HydrophobicContact CD1-CZ 4.17Å; L476-F480 HydrophobicContact CD2-CE2 4.22Å; L476-F480 HydrophobicContact CG-CD2 4.09Å; L476-F480 HydrophobicContact CG-CE2 3.62Å; L476-F480 WeakPolarHBondContact O-CD2 3.44Å; L476-F480 PolarHBondContact O-N 3.09Å; L476-F480 VanDerWaalsContact O-N 3.1Å
477	L	94.8	Very high	95.3	Very high	59 Å²	59	52.6 Å²	52.6	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-42.9	172.4	-178.2	58.6	0	0	0	112.3	L335 L338 R473 A475 L479 F480 L481	L335-L477 HydrophobicContact CD2-CD1 4.47Å; L338-L477 HydrophobicContact CD2-CB 3.77Å; L338-L477 HydrophobicContact CD2-CD1 4.09Å; L338-L477 HydrophobicContact CD2-CD2 4.3Å; L338-L477 HydrophobicContact CD2-CG 4.26Å; R473-L477 WeakPolarHBondContact O-CB 3.43Å; R473-L477 PolarHBondContact O-N 2.92Å; A475-L477 PolarHBondContact O-N 2.81Å; L477-L479 VanDerWaalsContact C-N 3.28Å; L477-L479 PolarHBondContact O-N 2.97Å; L477-F480 PolarHBondContact O-N 3.49Å; L477-L481 HydrophobicContact CD1-CD1 4.29Å; L477-L481 HydrophobicContact CD1-CG 4.2Å; L477-L481 HydrophobicContact CG-CD1 4.02Å; L477-L481 HydrophobicContact CG-CG 4.37Å; L477-L481 WeakPolarHBondContact O-CG 3.25Å; L477-L481 PolarHBondContact O-N 3.48Å
478	R	95.5	Very high	95.2	Very high	154 Å²	154	52.5 Å²	52.5	58%	0.581	29%	0.286	S	S	*	.	H	α-helix	trans	-61.3	-37.8	176.2	-78.1	-177.8	-68.8	143.1	-5.2	111.8	S474 A475 L476 A482	S474-R478 WeakPolarHBondContact O-CG 3.2Å; S474-R478 PolarHBondContact O-N 2.85Å; S474-R478 VanDerWaalsContact O-N 3.11Å; S474-R478 PolarHBondContact O-NE 2.92Å; A475-R478 WeakPolarHBondContact O-CB 3.5Å; A475-R478 PolarHBondContact O-N 3Å; A475-R478 VanDerWaalsContact O-N 3.13Å; L476-R478 VanDerWaalsContact C-N 3.35Å; L476-R478 PolarHBondContact O-N 2.75Å; R478-A482 VanDerWaalsContact O-CB 3.24Å; R478-A482 WeakPolarHBondContact O-CB 3.18Å; R478-A482 PolarHBondContact O-N 2.94Å
479	L	96	Very high	95	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-50.6	173.3	-66.2	179.8	0	0	0	111.1	I471 A475 L476 L477 L481 A482 M483 H488 T491 C493 L496	I471-L479 HydrophobicContact CD1-CD1 3.78Å; A475-L479 PolarHBondContact O-N 3.05Å; L476-L479 HydrophobicContact CD1-CD1 4.37Å; L476-L479 WeakPolarHBondContact O-CB 3.38Å; L476-L479 PolarHBondContact O-N 2.88Å; L477-L479 VanDerWaalsContact C-N 3.28Å; L477-L479 PolarHBondContact O-N 2.97Å; L479-L481 PolarHBondContact O-N 2.85Å; L479-A482 PolarHBondContact O-N 3.41Å; L479-M483 WeakPolarHBondContact O-CB 3.49Å; L479-M483 PolarHBondContact O-N 2.76Å; L479-H488 HydrophobicContact CD2-CB 4.4Å; L479-H488 WeakPolarHBondContact O-CB 3.38Å; L479-T491 HydrophobicContact CD2-CG2 4.2Å; L479-T491 WeakPolarHBondContact CD2-OG1 3.4Å; L479-C493 HydrophobicContact CD1-CB 4.41Å; L479-C493 HydrophobicContact CD2-CB 3.88Å; L479-L496 HydrophobicContact CD1-CB 4.11Å; L479-L496 HydrophobicContact CD1-CD2 4.22Å; L479-L496 HydrophobicContact CD2-CD2 3.86Å
480	F	93.1	Very high	94.9	Very high	26 Å²	26	58.9 Å²	58.9	11%	0.114	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-41.8	179.1	-73.4	-59.3	0	0	0	113	F311 T334 L476 L477 M483	F311-F480 HydrophobicContact CD1-CE2 4.1Å; F311-F480 AromaticContact CD1-CZ 3.64Å; F311-F480 HydrophobicContact CD1-CZ 3.64Å; F311-F480 HydrophobicContact CE1-CE1 4.45Å; F311-F480 AromaticContact CE1-CE2 3.5Å; F311-F480 HydrophobicContact CE1-CE2 3.5Å; F311-F480 VanDerWaalsContact CE1-CE2 3.5Å; F311-F480 AromaticContact CE1-CZ 3.39Å; F311-F480 HydrophobicContact CE1-CZ 3.39Å; F311-F480 AromaticContact CZ-CE2 3.85Å; F311-F480 HydrophobicContact CZ-CE2 3.85Å; F311-F480 HydrophobicContact CZ-CZ 4.21Å; T334-F480 HydrophobicContact CG2-CD2 3.84Å; T334-F480 HydrophobicContact CG2-CE2 4Å; T334-F480 HydrophobicContact CG2-CG 4.16Å; T334-F480 HydrophobicContact CG2-CZ 4.48Å; L476-F480 HydrophobicContact CD1-CD2 4.23Å; L476-F480 HydrophobicContact CD1-CE2 3.64Å; L476-F480 HydrophobicContact CD1-CZ 4.17Å; L476-F480 HydrophobicContact CD2-CE2 4.22Å; L476-F480 HydrophobicContact CG-CD2 4.09Å; L476-F480 HydrophobicContact CG-CE2 3.62Å; L476-F480 WeakPolarHBondContact O-CD2 3.44Å; L476-F480 PolarHBondContact O-N 3.09Å; L476-F480 VanDerWaalsContact O-N 3.1Å; L477-F480 PolarHBondContact O-N 3.49Å; F480-M483 WeakPolarHBondContact O-CB 3.23Å; F480-M483 PolarHBondContact O-N 3.08Å
481	L	93.8	Very high	94.7	Very high	112 Å²	112	58.4 Å²	58.4	59%	0.586	30%	0.301	S	S	*	.	H	α-helix	trans	-65.7	-38.2	176.2	-68.1	174.4	0	0	0	112.1	L477 L479 M483	L477-L481 HydrophobicContact CD1-CD1 4.29Å; L477-L481 HydrophobicContact CD1-CG 4.2Å; L477-L481 HydrophobicContact CG-CD1 4.02Å; L477-L481 HydrophobicContact CG-CG 4.37Å; L477-L481 WeakPolarHBondContact O-CG 3.25Å; L477-L481 PolarHBondContact O-N 3.48Å; L479-L481 PolarHBondContact O-N 2.85Å; L481-M483 VanDerWaalsContact C-N 3.3Å
482	A	95.6	Very high	94.2	Very high	22 Å²	22	65 Å²	65	18%	0.182	34%	0.336	C	S	.	.	H	α-helix	trans	-70.4	-27.9	175.9	0	0	0	0	0	112.3	R478 L479 E484 K485 G486 A487 H488 T491	R478-A482 VanDerWaalsContact O-CB 3.24Å; R478-A482 WeakPolarHBondContact O-CB 3.18Å; R478-A482 PolarHBondContact O-N 2.94Å; L479-A482 PolarHBondContact O-N 3.41Å; A482-E484 VanDerWaalsContact C-N 3.25Å; A482-E484 PolarHBondContact O-N 3.33Å; A482-K485 PolarHBondContact O-N 3.18Å; A482-G486 PolarHBondContact O-N 3.04Å; A482-A487 HydrophobicContact CB-CB 4.44Å; A482-A487 PolarHBondContact O-N 3.06Å; A482-H488 HydrophobicContact CB-CB 3.96Å; A482-T491 HydrophobicContact CB-CG2 4.01Å
483	M	95.3	Very high	94.2	Very high	19 Å²	19	63.5 Å²	63.5	9%	0.094	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-26.5	178.5	-168.3	178.8	-69.6	0	0	113	L449 L450 A451 L479 F480 L481 K485 G486 H488	L449-M483 HydrophobicContact CB-CG 4.48Å; L449-M483 HydrophobicContact CB-SD 4.28Å; L449-M483 HydrophobicContact CD2-SD 4.5Å; L450-M483 WeakPolarHBondContact CB-O 3.36Å; L450-M483 PolarHBondContact N-O 3.4Å; L450-M483 WeakPolarHBondContact O-CG 3.34Å; A451-M483 HydrophobicContact CB-CE 4.5Å; A451-M483 HydrophobicContact CB-CG 4.47Å; A451-M483 HydrophobicContact CB-SD 3.89Å; L479-M483 WeakPolarHBondContact O-CB 3.49Å; L479-M483 PolarHBondContact O-N 2.76Å; F480-M483 WeakPolarHBondContact O-CB 3.23Å; F480-M483 PolarHBondContact O-N 3.08Å; L481-M483 VanDerWaalsContact C-N 3.3Å; M483-K485 PolarHBondContact O-N 3.15Å; M483-K485 VanDerWaalsContact O-N 3.12Å; M483-G486 PolarHBondContact O-N 3.28Å; M483-H488 HydrophobicContact CB-CB 4.26Å
484	E	91.6	Very high	94.1	Very high	79 Å²	79	65.5 Å²	65.5	37%	0.369	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.8	174	-178.4	175.6	-160	0	0	112.5	R268 D448 A482	R268-E484 IonicContact CZ-OE1 2.56Å; R268-E484 IonicContact NH1-OE1 2.65Å; R268-E484 IonicContact NH2-OE1 3.56Å; R268-E484 PolarHBondContact NH2-OE1 2.88Å; D448-E484 VanDerWaalsContact O-CA 3.28Å; D448-E484 WeakPolarHBondContact O-CA 3.45Å; A482-E484 VanDerWaalsContact C-N 3.25Å; A482-E484 PolarHBondContact O-N 3.33Å
485	K	91.8	Very high	94.3	Very high	175 Å²	175	64.7 Å²	64.7	76%	0.761	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	6.9	178.1	-60.1	-177.7	-176.6	176.2	0	113.2	A482 M483 A487	A482-K485 PolarHBondContact O-N 3.18Å; M483-K485 PolarHBondContact O-N 3.15Å; M483-K485 VanDerWaalsContact O-N 3.12Å; K485-A487 PolarHBondContact O-N 3.49Å
486	G	94.4	Very high	94.4	Very high	10 Å²	10	65.6 Å²	65.6	10%	0.103	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	13.4	-175.2	0	0	0	0	0	115.3	P453 A482 M483 H488	P453-G486 VanDerWaalsContact CG-O 3.23Å; P453-G486 WeakPolarHBondContact CG-O 3.32Å; A482-G486 PolarHBondContact O-N 3.04Å; M483-G486 PolarHBondContact O-N 3.28Å; G486-H488 VanDerWaalsContact C-N 3.35Å; G486-H488 PolarHBondContact O-N 3.06Å
487	A	96.1	Very high	94.4	Very high	38 Å²	38	67.1 Å²	67.1	31%	0.314	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	7.8	-174.7	0	0	0	0	0	113.7	A482 K485 L489 D490	A482-A487 HydrophobicContact CB-CB 4.44Å; A482-A487 PolarHBondContact O-N 3.06Å; K485-A487 PolarHBondContact O-N 3.49Å; A487-L489 VanDerWaalsContact C-N 3.29Å; A487-L489 PolarHBondContact O-N 3.03Å; A487-D490 PolarHBondContact O-N 3.08Å; A487-D490 VanDerWaalsContact O-N 3.16Å
488	H	95.9	Very high	94.5	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.009	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.5	-174.4	60.6	-77.1	0	0	0	112.8	L450 A451 L479 A482 M483 G486 D490 T491	L450-H488 PolarHBondContact O-CE1 3.12Å; L450-H488 VanDerWaalsContact O-CE1 3.24Å; A451-H488 PolarHBondContact O-CE1 2.97Å; A451-H488 PolarHBondContact O-NE2 3.01Å; A451-H488 VanDerWaalsContact O-NE2 3.08Å; L479-H488 HydrophobicContact CD2-CB 4.4Å; L479-H488 WeakPolarHBondContact O-CB 3.38Å; A482-H488 HydrophobicContact CB-CB 3.96Å; M483-H488 HydrophobicContact CB-CB 4.26Å; G486-H488 VanDerWaalsContact C-N 3.35Å; G486-H488 PolarHBondContact O-N 3.06Å; H488-D490 VanDerWaalsContact C-N 3.29Å; H488-T491 WeakPolarHBondContact O-CB 2.86Å; H488-T491 WeakPolarHBondContact O-CG2 3.37Å; H488-T491 PolarHBondContact O-N 3.04Å; H488-T491 PolarHBondContact O-OG1 3.05Å
489	L	94.2	Very high	94.6	Very high	46 Å²	46	62.9 Å²	62.9	24%	0.241	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-70.9	-26.1	173.8	-55.4	179	0	0	0	112.5	F465 A487 T491 L496 H498	F465-L489 HydrophobicContact CD1-CD2 4.24Å; F465-L489 HydrophobicContact CE1-CD1 4.39Å; F465-L489 HydrophobicContact CE1-CD2 3.7Å; A487-L489 VanDerWaalsContact C-N 3.29Å; A487-L489 PolarHBondContact O-N 3.03Å; L489-T491 PolarHBondContact O-N 2.78Å; L489-L496 HydrophobicContact CD2-CD2 4.1Å; L489-H498 HydrophobicContact CD2-CB 3.97Å
490	D	93.6	Very high	94.7	Very high	126 Å²	126	66.6 Å²	66.6	67%	0.674	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-81.3	-3.7	178.7	-54.8	-39.4	0	0	0	112.8	A487 H488 N492	A487-D490 PolarHBondContact O-N 3.08Å; A487-D490 VanDerWaalsContact O-N 3.16Å; H488-D490 VanDerWaalsContact C-N 3.29Å; D490-N492 PolarHBondContact O-N 3.48Å
491	T	90.8	Very high	95	Very high	54 Å²	54	65.3 Å²	65.3	33%	0.331	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-74.6	-8.2	-177.7	65.1	0	0	0	0	113.8	L479 A482 H488 L489 C493	L479-T491 HydrophobicContact CD2-CG2 4.2Å; L479-T491 WeakPolarHBondContact CD2-OG1 3.4Å; A482-T491 HydrophobicContact CB-CG2 4.01Å; H488-T491 WeakPolarHBondContact O-CB 2.86Å; H488-T491 WeakPolarHBondContact O-CG2 3.37Å; H488-T491 PolarHBondContact O-N 3.04Å; H488-T491 PolarHBondContact O-OG1 3.05Å; L489-T491 PolarHBondContact O-N 2.78Å; T491-C493 PolarHBondContact O-N 3.12Å
492	N	88.3	Confident	95.2	Very high	148 Å²	148	63.7 Å²	63.7	79%	0.791	32%	0.323	S	S	*	.			trans	50.6	35.6	-175.2	-64.2	-42.6	0	0	0	113.2	D490 Q494	D490-N492 PolarHBondContact O-N 3.48Å; N492-Q494 PolarHBondContact O-N 3Å
493	C	94.3	Very high	95.3	Very high	27 Å²	27	62.7 Å²	62.7	18%	0.182	31%	0.314	C	S	.	.			trans	-72.2	113.2	177.7	-174.6	0	0	0	0	110.3	L479 T491 H495 L496	L479-C493 HydrophobicContact CD1-CB 4.41Å; L479-C493 HydrophobicContact CD2-CB 3.88Å; T491-C493 PolarHBondContact O-N 3.12Å; C493-H495 PolarHBondContact O-N 2.68Å; C493-H495 VanDerWaalsContact O-N 3.07Å; C493-L496 HydrophobicContact CB-CB 4.13Å; C493-L496 PolarHBondContact O-N 3Å
494	Q	95.1	Very high	95.5	Very high	184 Å²	184	61.8 Å²	61.8	86%	0.86	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.4	-178.2	-65.3	177.9	-12	0	0	114.4	N492	N492-Q494 PolarHBondContact O-N 3Å
495	H	97.3	Very high	95.8	Very high	56 Å²	56	58.2 Å²	58.2	26%	0.259	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-16.8	178.7	-65.2	-67.3	0	0	0	113.4	V467 T468 A469 I471 C493	V467-H495 CarbonylContact C-O 3.51Å; V467-H495 VanDerWaalsContact CA-O 3.23Å; V467-H495 WeakPolarHBondContact CA-O 3.37Å; V467-H495 HydrophobicContact CG1-CB 4.2Å; T468-H495 PolarHBondContact N-O 2.91Å; T468-H495 PolarHBondContact OG1-ND1 2.92Å; A469-H495 PolarHBondContact O-ND1 3.03Å; I471-H495 HydrophobicContact CB-CB 3.84Å; I471-H495 HydrophobicContact CD1-CB 4.16Å; I471-H495 HydrophobicContact CG1-CB 4.18Å; C493-H495 PolarHBondContact O-N 2.68Å; C493-H495 VanDerWaalsContact O-N 3.07Å
496	L	97.9	Very high	96.1	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.157	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.1	178.8	174.2	64.8	0	0	0	108.8	V467 L479 L489 C493	V467-L496 HydrophobicContact CG2-CD1 3.83Å; L479-L496 HydrophobicContact CD1-CB 4.11Å; L479-L496 HydrophobicContact CD1-CD2 4.22Å; L479-L496 HydrophobicContact CD2-CD2 3.86Å; L489-L496 HydrophobicContact CD2-CD2 4.1Å; C493-L496 HydrophobicContact CB-CB 4.13Å; C493-L496 PolarHBondContact O-N 3Å
497	V	97.7	Very high	96.3	Very high	35 Å²	35	52.5 Å²	52.5	21%	0.212	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	139	172.5	-178	0	0	0	0	109.3	F465 Y466 E499	F465-V497 VanDerWaalsContact CA-O 3.29Å; F465-V497 WeakPolarHBondContact CA-O 3.21Å; Y466-V497 HydrophobicContact CD1-CB 4.01Å; Y466-V497 HydrophobicContact CD1-CG1 4.29Å; Y466-V497 HydrophobicContact CD2-CB 4.08Å; Y466-V497 HydrophobicContact CD2-CG2 4.21Å; Y466-V497 HydrophobicContact CE1-CB 3.57Å; Y466-V497 HydrophobicContact CE1-CG1 3.49Å; Y466-V497 VanDerWaalsContact CE1-CG1 3.49Å; Y466-V497 HydrophobicContact CE1-CG2 4.29Å; Y466-V497 HydrophobicContact CE2-CB 3.66Å; Y466-V497 HydrophobicContact CE2-CG1 4.28Å; Y466-V497 HydrophobicContact CE2-CG2 3.53Å; Y466-V497 HydrophobicContact CG-CB 4.26Å; Y466-V497 PolarHBondContact N-O 3.5Å; Y466-V497 VanDerWaalsContact N-O 3.11Å; Y466-V497 PolarHBondContact O-N 3.22Å; Y466-V497 WeakPolarHBondContact OH-CG1 3.47Å; V497-E499 HydrophobicContact CG1-CG 4.13Å
498	H	97.4	Very high	96.3	Very high	51 Å²	51	51.5 Å²	51.5	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.6	172.4	172.6	-136.5	0	0	0	109.7	H463 L464 F465 L489	H463-H498 AromaticContact CG-NE2 3.93Å; H463-H498 AromaticContact ND1-CE1 3.76Å; H463-H498 AromaticContact ND1-NE2 3.31Å; H463-H498 PolarHBondContact ND1-NE2 3.15Å; L464-H498 CarbonylContact O-C 3.52Å; L464-H498 WeakPolarHBondContact O-CA 3.45Å; F465-H498 HydrophobicContact CD1-CB 3.72Å; F465-H498 AromaticContact CD1-CD2 3.72Å; F465-H498 AromaticContact CD1-CG 3.86Å; F465-H498 HydrophobicContact CE1-CB 3.63Å; F465-H498 AromaticContact CE1-CD2 3.19Å; F465-H498 WeakPolarHBondContact CE1-CD2 3.26Å; F465-H498 AromaticContact CE1-CG 3.31Å; F465-H498 AromaticContact CE1-NE2 3.9Å; F465-H498 AromaticContact CZ-CD2 3.45Å; F465-H498 VanDerWaalsContact CZ-CD2 3.45Å; F465-H498 WeakPolarHBondContact CZ-CD2 3.27Å; F465-H498 AromaticContact CZ-CG 3.97Å; F465-H498 AromaticContact CZ-NE2 3.75Å; L489-H498 HydrophobicContact CD2-CB 3.97Å
499	E	97.4	Very high	96.2	Very high	72 Å²	72	52.6 Å²	52.6	34%	0.336	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.4	176.5	-71.8	-64.8	166.8	0	0	111.1	Y350 L464 V497 V501	Y350-E499 HydrophobicContact CE2-CB 4.34Å; Y350-E499 HydrophobicContact CE2-CG 4.23Å; L464-E499 PolarHBondContact N-O 3.45Å; L464-E499 PolarHBondContact O-N 3.43Å; V497-E499 HydrophobicContact CG1-CG 4.13Å; E499-V501 HydrophobicContact CB-CG1 3.97Å
500	K	98.1	Very high	95.6	Very high	86 Å²	86	56.3 Å²	56.3	37%	0.374	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.2	170.2	-69	-174	175.6	-164.9	0	109.1	A353 V461	A353-K500 HydrophobicContact CB-CB 4.29Å; A353-K500 WeakPolarHBondContact CB-O 3.45Å; A353-K500 PolarHBondContact N-O 3.1Å; V461-K500 HydrophobicContact CB-CB 4.38Å; V461-K500 HydrophobicContact CG1-CB 4.44Å; V461-K500 HydrophobicContact CG2-CB 4.44Å; V461-K500 HydrophobicContact CG2-CD 4.27Å; V461-K500 HydrophobicContact CG2-CG 4.39Å
501	V	98.4	Very high	95	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.3	-170.1	-49.1	0	0	0	0	111.2	Y350 L351 V461 I462 L464 E499	Y350-V501 HydrophobicContact CD2-CB 4.31Å; Y350-V501 HydrophobicContact CD2-CG1 3.36Å; Y350-V501 HydrophobicContact CE2-CG1 4.11Å; Y350-V501 HydrophobicContact CG-CG1 3.75Å; L351-V501 CarbonylContact O-C 3.47Å; L351-V501 VanDerWaalsContact O-CA 3.28Å; L351-V501 WeakPolarHBondContact O-CA 3.49Å; L351-V501 WeakPolarHBondContact O-CB 3.38Å; V461-V501 WeakPolarHBondContact CA-O 3.45Å; I462-V501 HydrophobicContact CB-CG2 3.76Å; I462-V501 HydrophobicContact CG2-CG2 4.27Å; I462-V501 PolarHBondContact N-O 2.93Å; I462-V501 PolarHBondContact O-N 3.2Å; L464-V501 HydrophobicContact CB-CG1 4.13Å; L464-V501 HydrophobicContact CB-CG2 4.03Å; L464-V501 HydrophobicContact CD2-CG1 4.12Å; L464-V501 HydrophobicContact CD2-CG2 4.45Å; E499-V501 HydrophobicContact CB-CG1 3.97Å
502	R	97.9	Very high	94.6	Very high	78 Å²	78	60.3 Å²	60.3	29%	0.294	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-29.6	173.8	-67.7	-177.6	-64.1	176.5	4.6	112.4	L351 A353 L414 V531	L351-R502 PolarHBondContact O-N 2.9Å; A353-R502 HydrophobicContact CB-CG 4.37Å; L414-R502 HydrophobicContact CD1-CB 3.89Å; R502-V531 HydrophobicContact CB-CG1 4.43Å; R502-V531 WeakPolarHBondContact O-CG1 3.42Å; R502-V531 PolarHBondContact O-N 2.97Å
503	A	98.4	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	156.4	177.2	0	0	0	0	0	110.4	Y350 L351 L414 L415 W426 A529 E530	Y350-A503 CarbonylContact C-O 3.58Å; Y350-A503 WeakPolarHBondContact CA-O 3.47Å; L351-A503 HydrophobicContact CB-CB 4.24Å; L351-A503 PolarHBondContact N-O 3.08Å; L414-A503 HydrophobicContact CB-CB 4.15Å; L414-A503 HydrophobicContact CD1-CB 4.42Å; L415-A503 HydrophobicContact CD2-CB 4.07Å; W426-A503 HydrophobicContact CH2-CB 3.63Å; W426-A503 HydrophobicContact CZ2-CB 3.7Å; A503-A529 CarbonylContact C-O 3.49Å; A503-A529 WeakPolarHBondContact CA-O 3.39Å; A503-A529 WeakPolarHBondContact CB-O 3.44Å; A503-E530 HydrophobicContact CB-CB 4.47Å
504	L	98.6	Very high	94.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	159.7	173.9	68.1	85.3	0	0	0	111.3	L307 A349 A439 I462 L464 Q528 A529	L307-L504 HydrophobicContact CD2-CD1 3.89Å; A349-L504 CarbonylContact O-C 3.37Å; A349-L504 VanDerWaalsContact O-CA 3.31Å; A349-L504 WeakPolarHBondContact O-CA 3.49Å; A439-L504 HydrophobicContact CB-CD2 3.66Å; I462-L504 HydrophobicContact CD1-CD2 4.44Å; I462-L504 HydrophobicContact CG2-CD2 4.18Å; L464-L504 HydrophobicContact CD1-CD2 4.17Å; L504-Q528 CarbonylContact O-C 3.45Å; L504-Q528 WeakPolarHBondContact O-CA 3.42Å; L504-Q528 WeakPolarHBondContact O-CB 3.19Å; L504-A529 HydrophobicContact CD1-CB 4.3Å; L504-A529 HydrophobicContact CG-CB 4.16Å; L504-A529 PolarHBondContact N-O 3.33Å; L504-A529 PolarHBondContact O-N 3.21Å
505	R	98.6	Very high	95	Very high	4 Å²	4	46 Å²	46	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126	170.3	-178.6	179.6	-70.3	-174.4	-4.7	108.4	A349 P416 P417 Q420 L422 W426 E507 I527 Q528	A349-R505 PolarHBondContact N-O 3.35Å; A349-R505 PolarHBondContact O-N 2.82Å; P416-R505 PolarHBondContact O-NH2 3.07Å; P417-R505 PolarHBondContact O-NH2 3.35Å; Q420-R505 PolarHBondContact O-NH1 3.49Å; L422-R505 HydrophobicContact CD1-CB 4.28Å; L422-R505 HydrophobicContact CD2-CB 4.42Å; L422-R505 VanDerWaalsContact CD2-CZ 3.47Å; W426-R505 HydrophobicContact CZ3-CB 3.97Å; R505-E507 HydrophobicContact CG-CG 4.25Å; R505-I527 CarbonylContact C-O 3.51Å; R505-I527 WeakPolarHBondContact CA-O 3.41Å; R505-Q528 HydrophobicContact CB-CB 4.1Å; R505-Q528 HydrophobicContact CG-CB 4.2Å; R505-Q528 VanDerWaalsContact CZ-OE1 3.31Å
506	L	98.4	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126	172.4	172.2	70.3	0	0	0	108.6	W309 M437 P508 I515 P526 I527	W309-L506 HydrophobicContact CB-CD2 3.53Å; W309-L506 HydrophobicContact CD2-CD1 4.03Å; W309-L506 HydrophobicContact CD2-CD2 3.77Å; W309-L506 HydrophobicContact CD2-CG 4.5Å; W309-L506 HydrophobicContact CE3-CD1 3.65Å; W309-L506 HydrophobicContact CE3-CD2 4.08Å; W309-L506 HydrophobicContact CG-CD2 3.55Å; W309-L506 HydrophobicContact CH2-CD1 4.35Å; W309-L506 HydrophobicContact CZ3-CD1 3.82Å; M437-L506 HydrophobicContact CE-CB 4.1Å; M437-L506 HydrophobicContact CE-CD2 3.59Å; M437-L506 HydrophobicContact CE-CG 4.27Å; L506-P508 WeakPolarHBondContact O-CD 3.34Å; L506-I515 HydrophobicContact CD2-CD1 4.33Å; L506-P526 WeakPolarHBondContact O-CA 3.32Å; L506-I527 HydrophobicContact CB-CG2 3.89Å; L506-I527 HydrophobicContact CD2-CG2 4.22Å; L506-I527 HydrophobicContact CG-CG2 4.44Å; L506-I527 PolarHBondContact N-O 3.46Å; L506-I527 PolarHBondContact O-N 3.35Å
507	E	97.5	Very high	95.1	Very high	65 Å²	65	41.9 Å²	41.9	30%	0.304	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	91.3	172.9	-62.3	176.4	175.2	0	0	108.4	G346 K347 R505 P526	G346-E507 CarbonylContact C-O 3.6Å; G346-E507 WeakPolarHBondContact CA-O 3.36Å; K347-E507 HydrophobicContact CB-CB 4.24Å; K347-E507 PolarHBondContact N-O 2.93Å; K347-E507 PolarHBondContact O-N 2.83Å; R505-E507 HydrophobicContact CG-CG 4.25Å; E507-P526 HydrophobicContact CG-CB 4.34Å
508	P	96.8	Very high	95	Very high	17 Å²	17	40.4 Å²	40.4	11%	0.11	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.9	178.1	29.2	-33.8	0	0	0	110.7	W309 L506 I515 Y524 G525	W309-P508 HydrophobicContact CZ2-CB 4.26Å; L506-P508 WeakPolarHBondContact O-CD 3.34Å; P508-I515 HydrophobicContact CG-CD1 4.25Å; P508-Y524 HydrophobicContact CB-CE1 3.82Å; P508-Y524 HydrophobicContact CB-CE2 3.97Å; P508-Y524 VanDerWaalsContact CB-CZ 3.45Å; P508-Y524 WeakPolarHBondContact CB-OH 3.42Å; P508-Y524 HydrophobicContact CG-CD1 4.47Å; P508-Y524 HydrophobicContact CG-CE1 4.07Å; P508-Y524 HydrophobicContact CG-CE2 4.38Å; P508-G525 VanDerWaalsContact CD-C 3.46Å; P508-G525 VanDerWaalsContact CD-O 3.22Å; P508-G525 WeakPolarHBondContact CD-O 3.45Å; P508-G525 VanDerWaalsContact CG-C 3.46Å; P508-G525 VanDerWaalsContact CG-O 3.26Å; P508-G525 WeakPolarHBondContact CG-O 3.49Å
509	G	93.3	Very high	94.8	Very high	26 Å²	26	39.5 Å²	39.5	27%	0.268	24%	0.235	S	C	.	.			trans	-65.5	162.5	176.4	0	0	0	0	0	112.7	K345 G511	K345-G509 WeakPolarHBondContact O-CA 3.47Å; K345-G509 PolarHBondContact O-N 3.1Å; G509-G511 PolarHBondContact O-N 3.43Å
510	A	82.6	Confident	94.6	Very high	123 Å²	123	39.2 Å²	39.2	100%	1.017	23%	0.233	S	C	*	.	S	Bend	trans	-63	4.4	-170.5	0	0	0	0	0	117.1
511	G	80.1	Confident	94.5	Very high	48 Å²	48	39.6 Å²	39.6	50%	0.495	24%	0.242	S	C	.	.	S	Bend	trans	-76.1	175.2	174.8	0	0	0	0	0	112.9	G509 Y524	G509-G511 PolarHBondContact O-N 3.43Å; G511-Y524 WeakPolarHBondContact O-CE1 3.47Å
512	K	83	Confident	94.4	Very high	217 Å²	217	40.6 Å²	40.6	94%	0.943	25%	0.249	S	C	*	.			trans	-79.1	138.4	166.1	-65.9	-177.2	-179.8	-178.8	0	109
513	G	91.9	Very high	94.3	Very high	24 Å²	24	40.7 Å²	40.7	25%	0.247	25%	0.253	C	S	.	.			trans	-158	-170.6	170.7	0	0	0	0	0	110.8	Y524	G513-Y524 WeakPolarHBondContact O-CD2 3.44Å
514	I	96.7	Very high	94.2	Very high	34 Å²	34	43.8 Å²	43.8	17%	0.174	27%	0.265	C	S	.	.			trans	-127.3	135.4	-176.6	-56.3	179.3	0	0	0	108.3	A313 V317 T516	A313-I514 HydrophobicContact CB-CB 4.21Å; A313-I514 HydrophobicContact CB-CG2 3.95Å; A313-I514 WeakPolarHBondContact CB-O 3.35Å; V317-I514 HydrophobicContact CB-CD1 3.85Å; V317-I514 HydrophobicContact CB-CG2 4.35Å; V317-I514 HydrophobicContact CG1-CD1 3.95Å; V317-I514 HydrophobicContact CG2-CD1 4.15Å; V317-I514 HydrophobicContact CG2-CG2 3.53Å; I514-T516 HydrophobicContact CG2-CG2 4.07Å
515	I	98	Very high	94.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.1	166.2	-62.8	173	0	0	0	106.5	L307 A308 W309 L506 P508 V522 Y524 I527	L307-I515 HydrophobicContact CD1-CG2 3.46Å; L307-I515 VanDerWaalsContact CD1-CG2 3.46Å; A308-I515 WeakPolarHBondContact O-CA 3.25Å; W309-I515 HydrophobicContact CB-CG1 4.37Å; W309-I515 HydrophobicContact CG-CG1 4.41Å; L506-I515 HydrophobicContact CD2-CD1 4.33Å; P508-I515 HydrophobicContact CG-CD1 4.25Å; I515-V522 HydrophobicContact CB-CG2 3.81Å; I515-V522 HydrophobicContact CG2-CG2 3.52Å; I515-V522 PolarHBondContact O-N 3.13Å; I515-V522 VanDerWaalsContact O-N 3.1Å; I515-Y524 HydrophobicContact CD1-CD2 4.18Å; I515-Y524 HydrophobicContact CG1-CD2 3.95Å; I515-Y524 HydrophobicContact CG1-CE2 4.28Å; I515-I527 HydrophobicContact CD1-CG2 4.22Å; I515-I527 HydrophobicContact CG2-CD1 4.45Å
516	T	97.9	Very high	94	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.1	173.7	55.4	0	0	0	0	110.8	L307 A308 A313 D316 V317 I514 E520 V521	L307-T516 CarbonylContact C-O 3.5Å; L307-T516 WeakPolarHBondContact CA-O 3.46Å; A308-T516 PolarHBondContact N-O 2.95Å; A308-T516 PolarHBondContact O-N 3.13Å; A313-T516 HydrophobicContact CB-CG2 4.15Å; D316-T516 HydrophobicContact CB-CG2 4.17Å; D316-T516 PolarHBondContact OD2-OG1 2.83Å; D316-T516 VanDerWaalsContact OD2-OG1 3.09Å; V317-T516 HydrophobicContact CG2-CG2 4Å; I514-T516 HydrophobicContact CG2-CG2 4.07Å; T516-E520 CarbonylContact C-O 3.51Å; T516-E520 WeakPolarHBondContact CA-O 3.31Å; T516-V521 HydrophobicContact CG2-CG2 4.28Å
517	V	98.1	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.8	173	179.3	0	0	0	0	107.5	L293 S306 L307 G519 E520 V522 I527	L293-V517 HydrophobicContact CD1-CG1 4.13Å; L293-V517 HydrophobicContact CD2-CG1 4.3Å; L293-V517 HydrophobicContact CD2-CG2 3.89Å; S306-V517 CarbonylContact O-C 3.52Å; S306-V517 WeakPolarHBondContact O-CA 3.41Å; L307-V517 HydrophobicContact CD1-CG2 3.91Å; V517-G519 PolarHBondContact O-N 2.83Å; V517-G519 VanDerWaalsContact O-N 3.1Å; V517-E520 PolarHBondContact N-O 2.77Å; V517-E520 WeakPolarHBondContact O-CB 3.31Å; V517-E520 PolarHBondContact O-N 3.33Å; V517-V522 HydrophobicContact CB-CG1 4.03Å; V517-V522 HydrophobicContact CG2-CG1 3.73Å; V517-V522 HydrophobicContact CG2-CG2 3.98Å; V517-I527 HydrophobicContact CG2-CD1 4.46Å
518	D	96.6	Very high	94.1	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	28.8	-170.4	-55.7	-33.3	0	0	0	113.4	H223 S303 F304 L305 S306 E520	H223-D518 HydrophobicContact CB-CB 4.2Å; H223-D518 IonicContact CE1-OD2 3.93Å; H223-D518 IonicContact CG-OD2 3.87Å; H223-D518 IonicContact ND1-OD2 3.66Å; H223-D518 PolarHBondContact ND1-OD2 2.87Å; S303-D518 WeakPolarHBondContact CA-OD2 3.47Å; S303-D518 PolarHBondContact OG-OD1 3.43Å; F304-D518 HydrophobicContact CD1-CB 4.49Å; F304-D518 WeakPolarHBondContact CD1-OD2 3.24Å; F304-D518 HydrophobicContact CE1-CB 3.96Å; F304-D518 WeakPolarHBondContact CE1-OD2 3.46Å; F304-D518 HydrophobicContact CZ-CB 4.32Å; F304-D518 PolarHBondContact N-OD1 3.47Å; F304-D518 PolarHBondContact N-OD2 2.94Å; L305-D518 WeakPolarHBondContact CA-OD1 3.35Å; L305-D518 HydrophobicContact CB-CB 4.47Å; L305-D518 VanDerWaalsContact CB-OD1 3.25Å; L305-D518 WeakPolarHBondContact CB-OD1 3.37Å; L305-D518 PolarHBondContact N-OD1 3.13Å; S306-D518 PolarHBondContact N-OD1 3.08Å; S306-D518 VanDerWaalsContact N-OD1 3.09Å; S306-D518 PolarHBondContact O-N 2.78Å; D518-E520 VanDerWaalsContact C-N 3.34Å
519	G	92.9	Very high	94.1	Very high	32 Å²	32	42.7 Å²	42.7	33%	0.33	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-5.9	-175.2	0	0	0	0	0	115.3	V517	V517-G519 PolarHBondContact O-N 2.83Å; V517-G519 VanDerWaalsContact O-N 3.1Å
520	E	93.8	Very high	94.4	Very high	67 Å²	67	42 Å²	42	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.8	178.3	-59.7	-60.8	137.5	0	0	111.3	G220 T516 V517 D518 V522	G220-E520 WeakPolarHBondContact CA-OE1 3.28Å; T516-E520 CarbonylContact C-O 3.51Å; T516-E520 WeakPolarHBondContact CA-O 3.31Å; V517-E520 PolarHBondContact N-O 2.77Å; V517-E520 WeakPolarHBondContact O-CB 3.31Å; V517-E520 PolarHBondContact O-N 3.33Å; D518-E520 VanDerWaalsContact C-N 3.34Å; E520-V522 PolarHBondContact O-N 3.46Å
521	V	95.9	Very high	95.1	Very high	93 Å²	93	37 Å²	37	56%	0.564	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.6	-178.2	-178.6	0	0	0	0	110.8	V317 T516	V317-V521 HydrophobicContact CG2-CG2 3.31Å; T516-V521 HydrophobicContact CG2-CG2 4.28Å
522	V	96.2	Very high	96	Very high	22 Å²	22	35.8 Å²	35.8	13%	0.133	19%	0.193	C	C	.	.			trans	-113.7	174.1	173.6	-60.8	0	0	0	0	111.6	L295 L301 I515 V517 E520 Y524	L295-V522 HydrophobicContact CD1-CB 4.12Å; L295-V522 HydrophobicContact CD2-CB 4.3Å; L295-V522 HydrophobicContact CD2-CG2 4.27Å; L301-V522 HydrophobicContact CD1-CG1 3.82Å; I515-V522 HydrophobicContact CB-CG2 3.81Å; I515-V522 HydrophobicContact CG2-CG2 3.52Å; I515-V522 PolarHBondContact O-N 3.13Å; I515-V522 VanDerWaalsContact O-N 3.1Å; V517-V522 HydrophobicContact CB-CG1 4.03Å; V517-V522 HydrophobicContact CG2-CG1 3.73Å; V517-V522 HydrophobicContact CG2-CG2 3.98Å; E520-V522 PolarHBondContact O-N 3.46Å; V522-Y524 PolarHBondContact O-N 3.45Å
523	E	95.3	Very high	96.6	Very high	80 Å²	80	29.1 Å²	29.1	37%	0.374	18%	0.178	S	C	.	.			trans	-54.3	134.6	173.8	-174.4	-170.9	172.3	0	0	111.3	L295 S296 S297 G525	L295-E523 HydrophobicContact CD1-CB 4.31Å; S296-E523 PolarHBondContact OG-OE1 2.56Å; S296-E523 PolarHBondContact OG-OE2 3.21Å; S297-E523 WeakPolarHBondContact CA-OE2 3.42Å; S297-E523 WeakPolarHBondContact CB-OE2 3.37Å; S297-E523 PolarHBondContact N-OE2 2.93Å; S297-E523 PolarHBondContact OG-OE2 2.9Å; E523-G525 PolarHBondContact O-N 2.85Å
524	Y	96.6	Very high	96.7	Very high	64 Å²	64	28.8 Å²	28.8	25%	0.251	18%	0.175	S	C	.	.	S	Bend	trans	-83.6	110.5	174	-169.6	-96	0	0	0	110.5	W309 P508 G511 G513 I515 V522	W309-Y524 AromaticContact CD1-CE2 3.96Å; W309-Y524 AromaticContact NE1-CE2 3.67Å; P508-Y524 HydrophobicContact CB-CE1 3.82Å; P508-Y524 HydrophobicContact CB-CE2 3.97Å; P508-Y524 VanDerWaalsContact CB-CZ 3.45Å; P508-Y524 WeakPolarHBondContact CB-OH 3.42Å; P508-Y524 HydrophobicContact CG-CD1 4.47Å; P508-Y524 HydrophobicContact CG-CE1 4.07Å; P508-Y524 HydrophobicContact CG-CE2 4.38Å; G511-Y524 WeakPolarHBondContact O-CE1 3.47Å; G513-Y524 WeakPolarHBondContact O-CD2 3.44Å; I515-Y524 HydrophobicContact CD1-CD2 4.18Å; I515-Y524 HydrophobicContact CG1-CD2 3.95Å; I515-Y524 HydrophobicContact CG1-CE2 4.28Å; V522-Y524 PolarHBondContact O-N 3.45Å
525	G	96.2	Very high	96.7	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	17%	0.174	C	C	.	.	S	Bend	trans	175.6	-175	-179.7	0	0	0	0	0	111.3	P508 E523 I527	P508-G525 VanDerWaalsContact CD-C 3.46Å; P508-G525 VanDerWaalsContact CD-O 3.22Å; P508-G525 WeakPolarHBondContact CD-O 3.45Å; P508-G525 VanDerWaalsContact CG-C 3.46Å; P508-G525 VanDerWaalsContact CG-O 3.26Å; P508-G525 WeakPolarHBondContact CG-O 3.49Å; E523-G525 PolarHBondContact O-N 2.85Å; G525-I527 PolarHBondContact O-N 3.41Å
526	P	97.1	Very high	96.6	Very high	50 Å²	50	28.8 Å²	28.8	33%	0.325	18%	0.176	S	C	.	.			trans	-51.4	130.4	172.1	-28.2	36.2	0	0	0	111.8	S296 L418 L506 E507	S296-P526 PolarHBondContact N-O 3.21Å; L418-P526 HydrophobicContact CD2-CB 4.13Å; L506-P526 WeakPolarHBondContact O-CA 3.32Å; E507-P526 HydrophobicContact CG-CB 4.34Å
527	I	98.1	Very high	96.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.6	179	-173	170.2	0	0	0	109.4	L293 H294 L295 L307 R505 L506 I515 V517 G525	L293-I527 HydrophobicContact CB-CD1 4.4Å; L293-I527 HydrophobicContact CD2-CD1 3.74Å; L293-I527 HydrophobicContact CD2-CG1 4.39Å; H294-I527 WeakPolarHBondContact O-CA 3.49Å; L295-I527 HydrophobicContact CD2-CD1 3.43Å; L295-I527 VanDerWaalsContact CD2-CD1 3.43Å; L295-I527 HydrophobicContact CD2-CG1 3.89Å; L307-I527 HydrophobicContact CD1-CD1 3.79Å; L307-I527 HydrophobicContact CD2-CD1 4.4Å; L307-I527 HydrophobicContact CD2-CG2 4.49Å; R505-I527 CarbonylContact C-O 3.51Å; R505-I527 WeakPolarHBondContact CA-O 3.41Å; L506-I527 HydrophobicContact CB-CG2 3.89Å; L506-I527 HydrophobicContact CD2-CG2 4.22Å; L506-I527 HydrophobicContact CG-CG2 4.44Å; L506-I527 PolarHBondContact N-O 3.46Å; L506-I527 PolarHBondContact O-N 3.35Å; I515-I527 HydrophobicContact CD1-CG2 4.22Å; I515-I527 HydrophobicContact CG2-CD1 4.45Å; V517-I527 HydrophobicContact CG2-CD1 4.46Å; G525-I527 PolarHBondContact O-N 3.41Å
528	Q	98.3	Very high	96.5	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.5	174.1	62	-177.1	12.4	0	0	110.8	L293 H294 L415 P416 L418 L504 R505	L293-Q528 CarbonylContact C-O 3.59Å; L293-Q528 VanDerWaalsContact CA-O 3.29Å; L293-Q528 WeakPolarHBondContact CA-O 3.48Å; H294-Q528 HydrophobicContact CB-CG 3.86Å; H294-Q528 PolarHBondContact N-O 3.06Å; H294-Q528 PolarHBondContact O-N 3.08Å; L415-Q528 HydrophobicContact CD1-CG 4.15Å; L415-Q528 HydrophobicContact CD2-CB 4.16Å; L415-Q528 HydrophobicContact CD2-CG 4.19Å; P416-Q528 PolarHBondContact O-NE2 3.28Å; P416-Q528 PolarHBondContact O-OE1 2.73Å; P416-Q528 VanDerWaalsContact O-OE1 3.09Å; L418-Q528 HydrophobicContact CD2-CB 4.09Å; L418-Q528 HydrophobicContact CD2-CG 3.74Å; L418-Q528 HydrophobicContact CG-CG 4.3Å; L504-Q528 CarbonylContact O-C 3.45Å; L504-Q528 WeakPolarHBondContact O-CA 3.42Å; L504-Q528 WeakPolarHBondContact O-CB 3.19Å; R505-Q528 HydrophobicContact CB-CB 4.1Å; R505-Q528 HydrophobicContact CG-CB 4.2Å; R505-Q528 VanDerWaalsContact CZ-OE1 3.31Å
529	A	98.4	Very high	96.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.5	-172.6	0	0	0	0	0	112.4	V291 S292 L293 I462 A503 L504	V291-A529 HydrophobicContact CG1-CB 3.65Å; S292-A529 CarbonylContact O-C 3.53Å; S292-A529 WeakPolarHBondContact O-CA 3.44Å; L293-A529 HydrophobicContact CD2-CB 4.24Å; L293-A529 HydrophobicContact CG-CB 4.03Å; I462-A529 HydrophobicContact CD1-CB 4.47Å; A503-A529 CarbonylContact C-O 3.49Å; A503-A529 WeakPolarHBondContact CA-O 3.39Å; A503-A529 WeakPolarHBondContact CB-O 3.44Å; L504-A529 HydrophobicContact CD1-CB 4.3Å; L504-A529 HydrophobicContact CG-CB 4.16Å; L504-A529 PolarHBondContact N-O 3.33Å; L504-A529 PolarHBondContact O-N 3.21Å
530	E	98.3	Very high	96.2	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135	176.6	172	173.3	164.8	0	0	110.4	V291 S292 D412 A413 L414 L415 A503	V291-E530 CarbonylContact C-O 3.58Å; V291-E530 VanDerWaalsContact CA-O 3.31Å; V291-E530 WeakPolarHBondContact CA-O 3.41Å; S292-E530 PolarHBondContact N-O 3.46Å; S292-E530 PolarHBondContact O-N 2.96Å; D412-E530 VanDerWaalsContact C-OE2 3.3Å; D412-E530 WeakPolarHBondContact CA-OE2 3.48Å; D412-E530 WeakPolarHBondContact CB-OE2 3.38Å; A413-E530 PolarHBondContact N-OE1 3.37Å; A413-E530 VanDerWaalsContact N-OE1 3.12Å; A413-E530 PolarHBondContact N-OE2 3.47Å; A413-E530 VanDerWaalsContact N-OE2 3.12Å; L414-E530 WeakPolarHBondContact CA-OE2 3.48Å; L414-E530 HydrophobicContact CB-CG 4.36Å; L414-E530 WeakPolarHBondContact CB-OE2 3.35Å; L414-E530 HydrophobicContact CD1-CG 4.12Å; L414-E530 HydrophobicContact CG-CG 4.4Å; L414-E530 PolarHBondContact N-OE2 3.2Å; L415-E530 HydrophobicContact CD1-CB 3.73Å; L415-E530 HydrophobicContact CD2-CB 4.1Å; L415-E530 HydrophobicContact CG-CB 3.75Å; A503-E530 HydrophobicContact CB-CB 4.47Å
531	V	98.3	Very high	95	Very high	17 Å²	17	29.6 Å²	29.6	10%	0.103	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.3	177.9	66.8	0	0	0	0	112.3	D289 V291 G460 I462 R502	D289-V531 HydrophobicContact CB-CG2 3.93Å; V291-V531 HydrophobicContact CG2-CB 4.05Å; V291-V531 HydrophobicContact CG2-CG2 4.05Å; G460-V531 VanDerWaalsContact O-CG1 3.3Å; G460-V531 WeakPolarHBondContact O-CG1 3.13Å; I462-V531 HydrophobicContact CD1-CB 4.4Å; I462-V531 HydrophobicContact CG1-CB 3.97Å; R502-V531 HydrophobicContact CB-CG1 4.43Å; R502-V531 WeakPolarHBondContact O-CG1 3.42Å; R502-V531 PolarHBondContact O-N 2.97Å
532	H	97.8	Very high	94.9	Very high	23 Å²	23	26.4 Å²	26.4	11%	0.106	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106.7	171.5	-70.6	-84.1	0	0	0	109.6	D289 L290 P410 P411 D412 G534 L535	D289-H532 WeakPolarHBondContact CA-O 3.34Å; L290-H532 PolarHBondContact N-O 2.83Å; L290-H532 WeakPolarHBondContact O-CA 3.45Å; L290-H532 WeakPolarHBondContact O-CB 3.5Å; L290-H532 PolarHBondContact O-N 2.86Å; P410-H532 WeakPolarHBondContact CG-ND1 3.37Å; P411-H532 PolarHBondContact O-CE1 2.81Å; D412-H532 IonicContact OD1-CD2 2.67Å; D412-H532 IonicContact OD1-CE1 3.28Å; D412-H532 IonicContact OD1-NE2 2.8Å; D412-H532 PolarHBondContact OD1-NE2 2.85Å; H532-G534 PolarHBondContact O-N 2.82Å; H532-L535 HydrophobicContact CB-CB 4Å; H532-L535 HydrophobicContact CB-CD2 3.91Å; H532-L535 HydrophobicContact CB-CG 4.47Å
533	A	95.3	Very high	94.8	Very high	77 Å²	77	26.6 Å²	26.6	64%	0.636	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.8	-173.4	0	0	0	0	0	112.1	D289 L535	D289-A533 WeakPolarHBondContact OD1-CA 3.48Å; A533-L535 PolarHBondContact O-N 3.09Å; A533-L535 VanDerWaalsContact O-N 3.17Å
534	G	95.3	Very high	94.8	Very high	17 Å²	17	23.7 Å²	23.7	18%	0.175	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.3	23	174.1	0	0	0	0	0	115.6	H287 M288 D289 H532	H287-G534 PolarHBondContact ND1-O 2.8Å; M288-G534 CarbonylContact O-C 3.59Å; D289-G534 PolarHBondContact OD1-N 2.82Å; H532-G534 PolarHBondContact O-N 2.82Å
535	L	96.6	Very high	94.7	Very high	32 Å²	32	21.3 Å²	21.3	17%	0.168	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-42.3	-176.9	-175.3	61.6	0	0	0	112.4	L230 W235 V239 M288 L290 F302 P410 H532 A533	L230-L535 HydrophobicContact CD2-CD2 4.45Å; W235-L535 HydrophobicContact CZ3-CD1 4.13Å; V239-L535 HydrophobicContact CG1-CD1 4.24Å; V239-L535 HydrophobicContact CG2-CG 4.15Å; M288-L535 PolarHBondContact O-N 2.81Å; L290-L535 HydrophobicContact CB-CB 4.22Å; L290-L535 HydrophobicContact CB-CD2 4.04Å; L290-L535 HydrophobicContact CD1-CB 4.32Å; L290-L535 HydrophobicContact CD1-CD2 4.04Å; L290-L535 HydrophobicContact CD1-CG 4.14Å; L290-L535 HydrophobicContact CG-CB 4.34Å; F302-L535 HydrophobicContact CE1-CD2 4.5Å; P410-L535 HydrophobicContact CG-CD1 4.34Å; P410-L535 HydrophobicContact CG-CD2 3.86Å; H532-L535 HydrophobicContact CB-CB 4Å; H532-L535 HydrophobicContact CB-CD2 3.91Å; H532-L535 HydrophobicContact CB-CG 4.47Å; A533-L535 PolarHBondContact O-N 3.09Å; A533-L535 VanDerWaalsContact O-N 3.17Å
536	G	96.2	Very high	94.6	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	169.1	178.3	0	0	0	0	0	113.2	H287 M288	H287-G536 CarbonylContact C-O 3.54Å; H287-G536 WeakPolarHBondContact CA-O 3.23Å; M288-G536 PolarHBondContact N-O 3.01Å; M288-G536 PolarHBondContact O-N 2.93Å
537	R	96.6	Very high	94.5	Very high	78 Å²	78	20.3 Å²	20.3	29%	0.294	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.3	172.1	-65.6	-163.1	-68.7	-160.4	4.4	110.5	R240 L243 V285 S286	R240-R537 PolarHBondContact O-NE 3.27Å; R240-R537 PolarHBondContact O-NH2 2.58Å; L243-R537 PolarHBondContact N-O 3.18Å; V285-R537 HydrophobicContact CG1-CB 3.78Å; V285-R537 HydrophobicContact CG1-CG 4.41Å; S286-R537 CarbonylContact O-C 3.53Å; S286-R537 WeakPolarHBondContact O-CA 3.29Å
538	V	96.6	Very high	94.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.5	-177.9	70.1	0	0	0	0	111.2	L243 I245 V258 V285 S286 M288 L457 S540	L243-V538 CarbonylContact O-C 3.51Å; L243-V538 VanDerWaalsContact O-CA 3.29Å; L243-V538 WeakPolarHBondContact O-CA 3.48Å; L243-V538 WeakPolarHBondContact O-CG2 3.34Å; I245-V538 HydrophobicContact CD1-CG2 3.7Å; I245-V538 HydrophobicContact CG1-CG2 4.49Å; V258-V538 HydrophobicContact CG2-CG2 4.2Å; V285-V538 WeakPolarHBondContact CA-O 3.41Å; S286-V538 PolarHBondContact N-O 3.42Å; S286-V538 PolarHBondContact O-N 2.8Å; M288-V538 HydrophobicContact CB-CG1 4.12Å; M288-V538 HydrophobicContact SD-CB 4.25Å; M288-V538 HydrophobicContact SD-CG1 4.25Å; L457-V538 HydrophobicContact CD1-CG1 3.79Å; L457-V538 HydrophobicContact CD2-CG1 3.83Å; L457-V538 HydrophobicContact CG-CG1 4.42Å; V538-S540 PolarHBondContact O-N 2.9Å
539	I	95.6	Very high	93.9	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.036	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112	174.8	-55.9	167.5	0	0	0	108.4	L149 A212 P242 L243 L280 L284 V285	L149-I539 HydrophobicContact CD1-CD1 3.69Å; L149-I539 HydrophobicContact CD1-CG1 4.4Å; A212-I539 HydrophobicContact CB-CD1 4.07Å; P242-I539 HydrophobicContact CB-CG1 4.44Å; L243-I539 PolarHBondContact O-N 3.07Å; L280-I539 HydrophobicContact CD1-CD1 3.48Å; L280-I539 VanDerWaalsContact CD1-CD1 3.48Å; L284-I539 CarbonylContact O-C 3.5Å; L284-I539 VanDerWaalsContact O-CA 3.32Å; L284-I539 WeakPolarHBondContact O-CA 3.31Å; V285-I539 HydrophobicContact CG2-CG1 4.34Å
540	S	87.8	Confident	93.5	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.042	16%	0.161	C	C	.	.			trans	-127.9	-12.8	-169.1	71.4	0	0	0	0	116.6	L284 S286 V538	L284-S540 PolarHBondContact O-N 3.44Å; S286-S540 WeakPolarHBondContact CB-OG 3.22Å; S286-S540 PolarHBondContact OG-OG 3.39Å; V538-S540 PolarHBondContact O-N 2.9Å
541	G	67.8	Low	93.1	Very high	27 Å²	27	26.1 Å²	26.1	28%	0.278	17%	0.17	S	C	.	.			trans	76.7	0	173.5	0	0	0	0	0	117.6	R141 L284	R141-G541 PolarHBondContact NH1-O 3.05Å; L284-G541 WeakPolarHBondContact CD1-OXT 3.45Å; L284-G541 PolarHBondContact O-N 3.25Å

Retrieved 541 of 541 residues in 610.1 ms (Link to these results)

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