A0A087YMP0_POEFO Loading...

Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrial

Biotin-attachment subunit of the 3-methylcrotonyl-CoA carboxylase, an enzyme that catalyzes the conversion of 3-methylcrotonyl-CoA to 3-methylglutaconyl-CoA, a critical step for leucine and isovaleric acid catabolism.

AlphaFold DB , UniProt , Accession A0A087YMP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 717 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	28.7	Very low	245 Å²	245	139.5 Å²	139.5	100%	1.207	81%	0.814	S	S	*	*				0	127.6	0	-85.1	-173.4	-173.8	0	0	108.2
2	A	29.2	Very low	28.4	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	82%	0.818	S	S	*	*			trans	45.1	109.2	158	0	0	0	0	0	120
3	A	27.2	Very low	28.3	Very low	94 Å²	94	137.4 Å²	137.4	78%	0.777	81%	0.809	S	S	*	*			trans	-62.9	164.9	148	0	0	0	0	0	111.4
4	V	28.4	Very low	28.2	Very low	128 Å²	128	139.7 Å²	139.7	78%	0.776	82%	0.815	S	S	*	*			trans	-174.5	115.9	133.4	146	0	0	0	0	111.9
5	I	29.4	Very low	28	Very low	139 Å²	139	145.7 Å²	145.7	71%	0.713	82%	0.819	S	S	*	*			trans	59.5	105	131.8	-50.7	178.7	0	0	0	118.9
6	L	28.1	Very low	28.1	Very low	142 Å²	142	145.3 Å²	145.3	74%	0.743	81%	0.812	S	S	*	*				68.6	117.5	81.9	-80.7	167.7	0	0	0	116.5
7	S	22.6	Very low	28	Very low	122 Å²	122	147 Å²	147	85%	0.853	81%	0.809	S	S	*	*				-174.1	136.8	129.2	-76.8	0	0	0	0	112.8
8	F	26.1	Very low	28	Very low	176 Å²	176	145.2 Å²	145.2	77%	0.772	80%	0.803	S	S	*	*			trans	-62.9	174.9	179.1	-84.2	-93.4	0	0	0	114.4
9	P	29.1	Very low	27.9	Very low	119 Å²	119	146.7 Å²	146.7	77%	0.773	80%	0.804	S	S	*	*			cis	-143.9	162	28.4	37.4	-14.5	0	0	0	119.6
10	T	32.1	Very low	27.9	Very low	114 Å²	114	148.9 Å²	148.9	70%	0.699	81%	0.805	S	S	*	*			trans	-61.9	131.4	158	38.1	0	0	0	0	112.9
11	L	27.6	Very low	27.8	Very low	153 Å²	153	148.7 Å²	148.7	80%	0.801	80%	0.803	S	S	*	*				170.1	146.6	120.4	-101.3	152.1	0	0	0	112.5
12	Q	26.1	Very low	27.4	Very low	183 Å²	183	144.4 Å²	144.4	86%	0.855	78%	0.784	S	S	*	*			trans	82.4	114.3	150.6	-73.5	171.3	5	0	0	119.9
13	G	26.6	Very low	27.3	Very low	69 Å²	69	150.6 Å²	150.6	71%	0.711	79%	0.786	S	S	*	*			trans	140.9	81	132.8	0	0	0	0	0	115.3
14	L	27	Very low	27.3	Very low	170 Å²	170	152 Å²	152	89%	0.89	79%	0.785	S	S	*	*				-169.3	105.5	128.6	-122.5	80	0	0	0	109.2	I16	L14-I16 PolarHBondContact O-N 3.12Å
15	R	25.6	Very low	27.6	Very low	230 Å²	230	155.8 Å²	155.8	87%	0.868	79%	0.791	S	S	*	*			trans	-75.9	114.4	169.6	-81.7	-179.1	173.2	-179.7	-1.7	108.4
16	I	28.4	Very low	27.8	Very low	139 Å²	139	160 Å²	160	71%	0.713	80%	0.798	S	S	*	*			trans	-85.8	112.6	161	-62.3	173.8	0	0	0	106.6	L14 T18	L14-I16 PolarHBondContact O-N 3.12Å; I16-T18 HydrophobicContact CG2-CG2 4.35Å; I16-T18 PolarHBondContact O-N 3.22Å; I16-T18 VanDerWaalsContact O-N 3.12Å
17	F	26.5	Very low	27.9	Very low	174 Å²	174	157.1 Å²	157.1	76%	0.763	80%	0.802	S	S	*	*			trans	-69	101.9	170.5	-99.5	-96.1	0	0	0	108.8
18	T	28.3	Very low	28.5	Very low	115 Å²	115	156.9 Å²	156.9	71%	0.706	80%	0.795	S	S	*	*			trans	-99	100.3	161.9	39.6	0	0	0	0	107.7	I16 K20	I16-T18 HydrophobicContact CG2-CG2 4.35Å; I16-T18 PolarHBondContact O-N 3.22Å; I16-T18 VanDerWaalsContact O-N 3.12Å; T18-K20 PolarHBondContact O-N 3.38Å; T18-K20 VanDerWaalsContact O-N 3.1Å
19	Q	26.7	Very low	28.9	Very low	174 Å²	174	159.8 Å²	159.8	81%	0.813	80%	0.801	S	S	*	*			trans	-71.2	101.3	167.2	-88.9	179.3	-18.1	0	0	108.3	L21	Q19-L21 PolarHBondContact O-N 3.08Å
20	K	26.7	Very low	29	Very low	189 Å²	189	163.3 Å²	163.3	82%	0.822	81%	0.805	S	S	*	*			trans	-70.4	110.2	162.3	-81.6	-179.8	174.8	179	0	108.1	T18 L22	T18-K20 PolarHBondContact O-N 3.38Å; T18-K20 VanDerWaalsContact O-N 3.1Å; K20-L22 PolarHBondContact O-N 3.48Å; K20-L22 VanDerWaalsContact O-N 3.1Å
21	L	27.5	Very low	29.1	Very low	146 Å²	146	163.7 Å²	163.7	76%	0.764	81%	0.807	S	S	*	*			trans	-69.9	100.4	168	-135.8	83.3	0	0	0	108.4	Q19 W23	Q19-L21 PolarHBondContact O-N 3.08Å; L21-W23 PolarHBondContact O-N 3.28Å
22	L	25.4	Very low	29.5	Very low	154 Å²	154	162.2 Å²	162.2	81%	0.806	81%	0.809	S	S	*	*			trans	-73.8	109.2	170.6	-92.8	136.6	0	0	0	108.8	K20 T24	K20-L22 PolarHBondContact O-N 3.48Å; K20-L22 VanDerWaalsContact O-N 3.1Å; L22-T24 PolarHBondContact O-N 3.45Å; L22-T24 VanDerWaalsContact O-N 3.12Å
23	W	28.2	Very low	30.2	Very low	232 Å²	232	156 Å²	156	88%	0.879	80%	0.795	S	S	*	*			trans	-69.5	99.9	166.9	-82.3	60.5	0	0	0	109.4	L21 K25	L21-W23 PolarHBondContact O-N 3.28Å; W23-K25 PolarHBondContact O-N 3.1Å
24	T	27.2	Very low	31.1	Very low	123 Å²	123	162.4 Å²	162.4	76%	0.755	81%	0.806	S	S	*	*			trans	-73.4	103.8	165.3	31.1	0	0	0	0	109.8	L22 R26	L22-T24 PolarHBondContact O-N 3.45Å; L22-T24 VanDerWaalsContact O-N 3.12Å; T24-R26 PolarHBondContact O-N 3.12Å; T24-R26 VanDerWaalsContact O-N 3.08Å
25	K	34.4	Very low	32.6	Very low	208 Å²	208	158.8 Å²	158.8	90%	0.904	79%	0.79	S	S	*	*			trans	-62.7	101.8	162	-79.1	-176.6	174.4	-178.8	0	108.9	W23	W23-K25 PolarHBondContact O-N 3.1Å
26	R	33.1	Very low	34.6	Very low	227 Å²	227	149.3 Å²	149.3	86%	0.857	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-92.9	122.7	161.1	-85.2	-176.4	172.4	-178.4	-1.3	108.4	T24 V28	T24-R26 PolarHBondContact O-N 3.12Å; T24-R26 VanDerWaalsContact O-N 3.08Å; R26-V28 PolarHBondContact O-N 3.32Å
27	G	31.2	Very low	37.2	Very low	82 Å²	82	152 Å²	152	85%	0.845	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.7	122.8	-178.2	0	0	0	0	0	111.7
28	V	35.8	Very low	40.5	Very low	117 Å²	117	144.4 Å²	144.4	71%	0.709	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74.5	122.6	167.6	178.5	0	0	0	0	107.7	R26 F30	R26-V28 PolarHBondContact O-N 3.32Å; V28-F30 PolarHBondContact O-N 3.33Å
29	R	33.1	Very low	43.7	Very low	237 Å²	237	141.9 Å²	141.9	89%	0.894	71%	0.713	S	S	*	*			trans	-72.2	109.8	169.4	-90	-179.4	172.2	173.5	-2.7	108.4	V31	R29-V31 PolarHBondContact O-N 3.1Å
30	F	31.5	Very low	47.2	Very low	193 Å²	193	134.3 Å²	134.3	85%	0.846	68%	0.677	S	S	*	*			trans	-71.6	121.2	168.2	-74.6	-90.8	0	0	0	109.3	V28	V28-F30 PolarHBondContact O-N 3.33Å
31	V	34.1	Very low	50.6	Low	122 Å²	122	125.3 Å²	125.3	74%	0.739	64%	0.638	S	S	*	*			trans	-106.2	118.7	160.6	179.9	0	0	0	0	105.5	R29 G33	R29-V31 PolarHBondContact O-N 3.1Å; V31-G33 PolarHBondContact O-N 3.12Å; V31-G33 VanDerWaalsContact O-N 3.12Å
32	S	36.6	Very low	54	Low	122 Å²	122	118.3 Å²	118.3	85%	0.853	60%	0.602	S	S	*	*			trans	-72.9	94.8	-173.6	53.6	0	0	0	0	111.7
33	G	39.5	Very low	57.5	Low	53 Å²	53	111 Å²	111	55%	0.546	56%	0.564	S	S	.	*			trans	-93.2	150.9	146.5	0	0	0	0	0	108.7	V31 V35	V31-G33 PolarHBondContact O-N 3.12Å; V31-G33 VanDerWaalsContact O-N 3.12Å; G33-V35 PolarHBondContact O-N 2.96Å
34	E	47.3	Very low	60.8	Low	204 Å²	204	100 Å²	100	95%	0.953	52%	0.522	S	S	*	.			trans	-61.5	103.7	175.5	-74.1	-178	155.1	0	0	109.9	G36	E34-G36 PolarHBondContact O-N 3.06Å
35	V	57.3	Low	64.2	Low	93 Å²	93	94.3 Å²	94.3	56%	0.564	49%	0.487	S	S	*	.			trans	-76.4	115.5	174.7	179.1	0	0	0	0	107.8	G33 R37 A353 E355	G33-V35 PolarHBondContact O-N 2.96Å; V35-R37 PolarHBondContact O-N 2.84Å; V35-A353 CarbonylContact C-O 3.51Å; V35-A353 WeakPolarHBondContact CA-O 3.42Å; V35-A353 WeakPolarHBondContact CG1-O 3.43Å; V35-E355 HydrophobicContact CG1-CG 4.39Å
36	G	67.6	Low	67.2	Low	31 Å²	31	86.4 Å²	86.4	32%	0.32	45%	0.452	S	S	.	.			trans	-73.1	114.1	177.1	0	0	0	0	0	110.5	E34 I38 A353	E34-G36 PolarHBondContact O-N 3.06Å; G36-I38 PolarHBondContact O-N 3.09Å; G36-A353 PolarHBondContact N-O 2.88Å; G36-A353 VanDerWaalsContact O-CA 3.29Å; G36-A353 WeakPolarHBondContact O-CA 3.47Å; G36-A353 WeakPolarHBondContact O-CB 3.33Å
37	R	83.4	Confident	70.3	Confident	195 Å²	195	76.1 Å²	76.1	74%	0.736	42%	0.416	S	S	*	.			trans	-78.1	106	-177.8	-167.6	-179.6	179.5	-170.8	-9	111.5	V35 E39	V35-R37 PolarHBondContact O-N 2.84Å; R37-E39 VanDerWaalsContact CD-OE1 3.31Å; R37-E39 WeakPolarHBondContact CD-OE1 3.37Å; R37-E39 HydrophobicContact CG-CG 3.83Å; R37-E39 IonicContact CZ-OE1 3.99Å; R37-E39 IonicContact NE-OE1 3.09Å; R37-E39 PolarHBondContact NE-OE1 2.85Å; R37-E39 IonicContact NH1-OE1 3.06Å; R37-E39 PolarHBondContact NH1-OE1 3.04Å; R37-E39 IonicContact NH2-OE1 3.62Å; R37-E39 PolarHBondContact NH2-OE1 3.27Å; R37-E39 PolarHBondContact O-N 3.26Å
38	I	95.8	Very high	73.4	Confident	16 Å²	16	72.7 Å²	72.7	8%	0.082	38%	0.378	C	S	.	.			trans	-83.9	92.1	174.1	-55.7	176.8	0	0	0	110.1	G36 V41 V62 A113 I137 L349 A352 A353	G36-I38 PolarHBondContact O-N 3.09Å; I38-V41 HydrophobicContact CG2-CB 4.42Å; I38-V62 HydrophobicContact CG2-CG1 4.2Å; I38-V62 WeakPolarHBondContact O-CG2 3.4Å; I38-A113 HydrophobicContact CD1-CB 4.01Å; I38-A113 HydrophobicContact CG1-CB 4.32Å; I38-A113 HydrophobicContact CG2-CB 3.94Å; I38-I137 HydrophobicContact CD1-CD1 4.32Å; I38-I137 HydrophobicContact CG1-CD1 4.09Å; I38-L349 HydrophobicContact CG2-CD2 4.38Å; I38-A352 HydrophobicContact CD1-CB 3.9Å; I38-A353 HydrophobicContact CD1-CB 4.15Å; I38-A353 HydrophobicContact CG1-CB 4.2Å
39	E	96.4	Very high	76.4	Confident	62 Å²	62	67.2 Å²	67.2	29%	0.29	35%	0.345	S	S	.	.			trans	-92.4	-15.5	173.3	-53.1	-175.1	163.9	0	0	115	R37 R63 H112	R37-E39 VanDerWaalsContact CD-OE1 3.31Å; R37-E39 WeakPolarHBondContact CD-OE1 3.37Å; R37-E39 HydrophobicContact CG-CG 3.83Å; R37-E39 IonicContact CZ-OE1 3.99Å; R37-E39 IonicContact NE-OE1 3.09Å; R37-E39 PolarHBondContact NE-OE1 2.85Å; R37-E39 IonicContact NH1-OE1 3.06Å; R37-E39 PolarHBondContact NH1-OE1 3.04Å; R37-E39 IonicContact NH2-OE1 3.62Å; R37-E39 PolarHBondContact NH2-OE1 3.27Å; R37-E39 PolarHBondContact O-N 3.26Å; E39-R63 PolarHBondContact O-N 3.16Å; E39-R63 IonicContact OE2-NH2 3.91Å; E39-H112 PolarHBondContact N-ND1 2.86Å
40	K	98.2	Very high	79.5	Confident	14 Å²	14	56 Å²	56	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	126.9	-177.9	-165.7	-178.7	-131.7	-167	0	109.8	R63 V65 E83 S109 H112	K40-R63 CarbonylContact C-O 3.58Å; K40-R63 VanDerWaalsContact CA-O 3.32Å; K40-R63 WeakPolarHBondContact CA-O 3.46Å; K40-R63 HydrophobicContact CB-CB 4.34Å; K40-R63 HydrophobicContact CG-CB 4.02Å; K40-V65 HydrophobicContact CD-CG2 3.91Å; K40-V65 HydrophobicContact CG-CG2 3.91Å; K40-E83 WeakPolarHBondContact CE-OE1 3.26Å; K40-E83 IonicContact NZ-OE1 3.75Å; K40-E83 PolarHBondContact NZ-OE1 2.83Å; K40-E83 IonicContact NZ-OE2 4Å; K40-E83 PolarHBondContact NZ-OE2 3.32Å; K40-S109 WeakPolarHBondContact CD-O 3.35Å; K40-S109 PolarHBondContact NZ-O 2.93Å; K40-H112 PolarHBondContact O-N 2.98Å
41	V	98.6	Very high	82.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.4	-178.1	63.3	0	0	0	0	110.3	I38 I43 A57 V62 R63 V65 A113 H115 I139	I38-V41 HydrophobicContact CG2-CB 4.42Å; V41-I43 HydrophobicContact CG1-CD1 4.18Å; V41-A57 HydrophobicContact CG1-CB 4.19Å; V41-V62 HydrophobicContact CB-CG1 4.27Å; V41-V62 HydrophobicContact CG1-CG1 3.83Å; V41-R63 PolarHBondContact N-O 2.82Å; V41-V65 PolarHBondContact O-N 3.22Å; V41-A113 WeakPolarHBondContact CA-O 3.4Å; V41-A113 HydrophobicContact CG2-CB 4.31Å; V41-H115 HydrophobicContact CG2-CB 3.94Å; V41-I139 HydrophobicContact CG2-CD1 3.53Å
42	L	98.8	Very high	85.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.9	167.3	-178.2	147.7	0	0	0	109.6	A44 V65 V67 V102 V105 A106 A113 V114 H115	L42-A44 HydrophobicContact CD2-CB 3.84Å; L42-V65 CarbonylContact C-O 3.46Å; L42-V65 WeakPolarHBondContact CA-O 3.06Å; L42-V65 HydrophobicContact CB-CB 4.28Å; L42-V65 HydrophobicContact CD1-CG1 4.22Å; L42-V65 HydrophobicContact CG-CB 4.49Å; L42-V65 HydrophobicContact CG-CG1 4.44Å; L42-V67 HydrophobicContact CD1-CG1 3.98Å; L42-V67 HydrophobicContact CD2-CG1 4.3Å; L42-V67 HydrophobicContact CG-CG1 4.35Å; L42-V102 HydrophobicContact CD2-CG1 3.9Å; L42-V105 HydrophobicContact CD1-CB 3.97Å; L42-V105 HydrophobicContact CD1-CG1 3.5Å; L42-V105 VanDerWaalsContact CD1-CG1 3.5Å; L42-A106 HydrophobicContact CD1-CB 4.03Å; L42-A113 PolarHBondContact N-O 2.86Å; L42-V114 HydrophobicContact CB-CG2 4.17Å; L42-V114 HydrophobicContact CD2-CG1 4.12Å; L42-V114 HydrophobicContact CD2-CG2 4.11Å; L42-V114 CarbonylContact O-C 3.23Å; L42-V114 VanDerWaalsContact O-CA 3.29Å; L42-V114 WeakPolarHBondContact O-CA 3.37Å; L42-H115 PolarHBondContact O-N 3.31Å
43	I	98.8	Very high	88.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	104.6	176	-58.1	83.2	0	0	0	107.7	V41 N45 A50 V53 M54 V65 H115	V41-I43 HydrophobicContact CG1-CD1 4.18Å; I43-N45 HydrophobicContact CG2-CB 4.27Å; I43-N45 PolarHBondContact O-N 3.21Å; I43-A50 HydrophobicContact CG2-CB 3.97Å; I43-V53 HydrophobicContact CG1-CB 4.26Å; I43-V53 HydrophobicContact CG1-CG1 3.75Å; I43-V53 HydrophobicContact CG2-CB 4.49Å; I43-M54 HydrophobicContact CB-CE 4.14Å; I43-M54 HydrophobicContact CD1-CE 3.9Å; I43-M54 HydrophobicContact CD1-CG 3.84Å; I43-M54 HydrophobicContact CG1-CE 4.17Å; I43-M54 HydrophobicContact CG1-CG 4.2Å; I43-V65 WeakPolarHBondContact CD1-O 3.47Å; I43-V65 PolarHBondContact N-O 3.35Å; I43-H115 WeakPolarHBondContact CA-O 3.24Å
44	A	98.4	Very high	91.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	16%	0.161	C	C	.	.			trans	-83.3	50	-177.8	0	0	0	0	0	111.4	L42 V102 V114 H115	L42-A44 HydrophobicContact CD2-CB 3.84Å; A44-V102 HydrophobicContact CB-CG1 3.72Å; A44-V114 HydrophobicContact CB-CG1 3.62Å; A44-H115 PolarHBondContact N-O 2.73Å
45	N	98.4	Very high	94	Very high	4 Å²	4	27 Å²	27	2%	0.021	13%	0.13	C	C	.	.			trans	-156.9	-179.7	-177	-144.3	-47.5	0	0	0	110.8	I43 I49 P116 Y118 F120	I43-N45 HydrophobicContact CG2-CB 4.27Å; I43-N45 PolarHBondContact O-N 3.21Å; N45-I49 HydrophobicContact CB-CG2 4.13Å; N45-I49 WeakPolarHBondContact OD1-CG2 3.29Å; N45-P116 PolarHBondContact ND2-O 3.48Å; N45-Y118 PolarHBondContact ND2-N 3.35Å; N45-Y118 PolarHBondContact ND2-O 3.43Å; N45-F120 WeakPolarHBondContact OD1-CD2 3.44Å; N45-F120 VanDerWaalsContact OD1-CE2 3.29Å; N45-F120 WeakPolarHBondContact OD1-CE2 3.31Å
46	R	97.8	Very high	95.9	Very high	42 Å²	42	22.8 Å²	22.8	16%	0.158	11%	0.105	C	C	.	.			trans	-134.2	179.5	-178.4	65.4	174.8	-62.8	-83.5	1.7	112.2	I49 A50 D72 Y96 F120 Y419	R46-I49 VanDerWaalsContact O-CG2 3.29Å; R46-I49 WeakPolarHBondContact O-CG2 3.33Å; R46-A50 PolarHBondContact O-N 2.68Å; R46-D72 WeakPolarHBondContact CD-OD2 3.21Å; R46-D72 IonicContact CZ-OD1 3.56Å; R46-D72 IonicContact CZ-OD2 2.67Å; R46-D72 IonicContact NE-OD1 3.1Å; R46-D72 PolarHBondContact NE-OD1 2.94Å; R46-D72 IonicContact NE-OD2 3.92Å; R46-D72 PolarHBondContact NE-OD2 2.77Å; R46-D72 IonicContact NH2-OD1 3.98Å; R46-D72 PolarHBondContact NH2-OD1 2.73Å; R46-D72 IonicContact NH2-OD2 3.26Å; R46-Y96 HydrophobicContact CB-CE1 3.83Å; R46-Y96 HydrophobicContact CB-CE2 4.27Å; R46-Y96 WeakPolarHBondContact CB-OH 3.44Å; R46-Y96 HydrophobicContact CG-CE1 4.47Å; R46-Y96 HydrophobicContact CG-CE2 4.33Å; R46-F120 HydrophobicContact CG-CE2 4.02Å; R46-F120 HydrophobicContact CG-CZ 4.23Å; R46-Y419 VanDerWaalsContact NE-CD2 3.32Å; R46-Y419 VanDerWaalsContact NH2-CD2 3.26Å
47	G	96.6	Very high	97.4	Very high	11 Å²	11	21.3 Å²	21.3	11%	0.113	9%	0.09	C	C	.	.	H	α-helix	trans	64.9	-145.8	167.5	0	0	0	0	0	113.1	I49 A50 C51 H77	G47-I49 PolarHBondContact O-N 3.34Å; G47-A50 PolarHBondContact O-N 2.9Å; G47-C51 PolarHBondContact O-N 3.31Å; G47-C51 PolarHBondContact O-SG 2.87Å; G47-C51 VanDerWaalsContact O-SG 3.38Å; G47-H77 PolarHBondContact N-ND1 3.31Å
48	E	97.6	Very high	98.1	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-62.7	-41.3	-172.2	76.7	82.7	175.2	0	0	112.4	A50 C51 R52 Y118 M422 K425	E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.49Å; E48-C51 CarbonylContact O-C 3.51Å; E48-C51 WeakPolarHBondContact O-CA 3.29Å; E48-C51 WeakPolarHBondContact O-CB 3.41Å; E48-C51 PolarHBondContact O-N 3.02Å; E48-C51 VanDerWaalsContact O-N 3.09Å; E48-R52 PolarHBondContact O-N 2.93Å; E48-Y118 VanDerWaalsContact CD-OH 3.32Å; E48-Y118 PolarHBondContact OE1-OH 3.18Å; E48-M422 HydrophobicContact CG-CE 3.87Å; E48-K425 VanDerWaalsContact OE1-CD 3.28Å; E48-K425 WeakPolarHBondContact OE1-CD 3.3Å; E48-K425 WeakPolarHBondContact OE1-CE 3.5Å; E48-K425 IonicContact OE1-NZ 2.71Å; E48-K425 PolarHBondContact OE1-NZ 3.19Å; E48-K425 IonicContact OE2-NZ 3.68Å; E48-K425 PolarHBondContact OE2-NZ 3.3Å
49	I	98.3	Very high	98.2	Very high	2 Å²	2	26 Å²	26	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-66.8	-34.4	-177.6	-176.7	56.2	0	0	0	112.4	N45 R46 G47 C51 R52 V53 Y118 L329	N45-I49 HydrophobicContact CB-CG2 4.13Å; N45-I49 WeakPolarHBondContact OD1-CG2 3.29Å; R46-I49 VanDerWaalsContact O-CG2 3.29Å; R46-I49 WeakPolarHBondContact O-CG2 3.33Å; G47-I49 PolarHBondContact O-N 3.34Å; I49-C51 VanDerWaalsContact C-N 3.33Å; I49-R52 HydrophobicContact CD1-CB 4.19Å; I49-R52 HydrophobicContact CD1-CG 4.12Å; I49-R52 WeakPolarHBondContact O-CB 3.34Å; I49-R52 PolarHBondContact O-N 2.96Å; I49-V53 HydrophobicContact CD1-CG2 4.11Å; I49-V53 HydrophobicContact CG1-CG2 4.48Å; I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 2.98Å; I49-Y118 HydrophobicContact CB-CD1 4.13Å; I49-Y118 HydrophobicContact CB-CE1 3.43Å; I49-Y118 VanDerWaalsContact CB-CE1 3.43Å; I49-Y118 HydrophobicContact CB-CE2 4.24Å; I49-Y118 VanDerWaalsContact CB-CZ 3.47Å; I49-Y118 WeakPolarHBondContact CB-OH 3.3Å; I49-Y118 HydrophobicContact CD1-CD1 3.81Å; I49-Y118 HydrophobicContact CD1-CE1 3.6Å; I49-Y118 HydrophobicContact CG1-CD1 3.69Å; I49-Y118 HydrophobicContact CG1-CE1 3.47Å; I49-Y118 VanDerWaalsContact CG1-CE1 3.47Å; I49-Y118 HydrophobicContact CG1-CG 4.4Å; I49-Y118 HydrophobicContact CG2-CE1 4.09Å; I49-Y118 HydrophobicContact CG2-CE2 3.98Å; I49-L329 HydrophobicContact CD1-CD2 4.21Å
50	A	98.6	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-44.8	173.7	0	0	0	0	0	110.6	I43 R46 G47 E48 R52 V53 M54 H77	I43-A50 HydrophobicContact CG2-CB 3.97Å; R46-A50 PolarHBondContact O-N 2.68Å; G47-A50 PolarHBondContact O-N 2.9Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.49Å; A50-R52 PolarHBondContact O-N 3.12Å; A50-V53 PolarHBondContact O-N 3.07Å; A50-M54 HydrophobicContact CB-CE 4.22Å; A50-M54 WeakPolarHBondContact O-CB 3.38Å; A50-M54 WeakPolarHBondContact O-CG 3.37Å; A50-M54 PolarHBondContact O-N 3.37Å; A50-H77 HydrophobicContact CB-CB 3.59Å
51	C	98.6	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-42	173.7	-58.5	0	0	0	0	112.4	G47 E48 I49 V53 M54 R55 M80	G47-C51 PolarHBondContact O-N 3.31Å; G47-C51 PolarHBondContact O-SG 2.87Å; G47-C51 VanDerWaalsContact O-SG 3.38Å; E48-C51 CarbonylContact O-C 3.51Å; E48-C51 WeakPolarHBondContact O-CA 3.29Å; E48-C51 WeakPolarHBondContact O-CB 3.41Å; E48-C51 PolarHBondContact O-N 3.02Å; E48-C51 VanDerWaalsContact O-N 3.09Å; I49-C51 VanDerWaalsContact C-N 3.33Å; C51-V53 PolarHBondContact O-N 2.98Å; C51-M54 PolarHBondContact O-N 3.23Å; C51-R55 WeakPolarHBondContact O-CG 3.33Å; C51-R55 PolarHBondContact O-N 3.39Å; C51-M80 HydrophobicContact CB-SD 3.89Å; C51-M80 WeakPolarHBondContact O-CE 3.32Å
52	R	98.4	Very high	98.1	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-56.6	-47.2	176.6	169.1	67.1	-167.5	90.2	-9.6	111.5	E48 I49 A50 T56 H333 E337 D343 V345 E406	E48-R52 PolarHBondContact O-N 2.93Å; I49-R52 HydrophobicContact CD1-CB 4.19Å; I49-R52 HydrophobicContact CD1-CG 4.12Å; I49-R52 WeakPolarHBondContact O-CB 3.34Å; I49-R52 PolarHBondContact O-N 2.96Å; A50-R52 PolarHBondContact O-N 3.12Å; R52-T56 PolarHBondContact NH1-OG1 3.06Å; R52-H333 PolarHBondContact NE-NE2 3Å; R52-E337 IonicContact CZ-OE1 3.39Å; R52-E337 IonicContact CZ-OE2 2.7Å; R52-E337 IonicContact NE-OE2 3.15Å; R52-E337 VanDerWaalsContact NH2-CD 3.3Å; R52-E337 IonicContact NH2-OE1 2.78Å; R52-E337 PolarHBondContact NH2-OE1 3.3Å; R52-E337 IonicContact NH2-OE2 2.7Å; R52-E337 PolarHBondContact NH2-OE2 3.47Å; R52-E337 VanDerWaalsContact NH2-OE2 3.09Å; R52-D343 IonicContact CZ-OD1 3.21Å; R52-D343 IonicContact NH1-OD1 3.32Å; R52-D343 IonicContact NH2-OD1 3.52Å; R52-D343 PolarHBondContact NH2-OD1 2.89Å; R52-V345 HydrophobicContact CG-CG2 4.39Å; R52-E406 WeakPolarHBondContact CB-OE2 3.13Å; R52-E406 WeakPolarHBondContact CD-OE2 3.05Å
53	V	98.7	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.8	-45.2	-179.7	174.1	0	0	0	0	110.8	I43 I49 A50 C51 R55 T56 A57 H115 V345	I43-V53 HydrophobicContact CG1-CB 4.26Å; I43-V53 HydrophobicContact CG1-CG1 3.75Å; I43-V53 HydrophobicContact CG2-CB 4.49Å; I49-V53 HydrophobicContact CD1-CG2 4.11Å; I49-V53 HydrophobicContact CG1-CG2 4.48Å; I49-V53 WeakPolarHBondContact O-CG2 3.44Å; I49-V53 PolarHBondContact O-N 2.98Å; A50-V53 PolarHBondContact O-N 3.07Å; C51-V53 PolarHBondContact O-N 2.98Å; V53-R55 VanDerWaalsContact C-N 3.29Å; V53-R55 PolarHBondContact O-N 3.45Å; V53-T56 PolarHBondContact O-N 3.14Å; V53-A57 PolarHBondContact O-N 3.07Å; V53-H115 HydrophobicContact CG1-CB 4.01Å; V53-H115 VanDerWaalsContact CG2-CE1 3.46Å; V53-H115 WeakPolarHBondContact CG2-CE1 3.4Å; V53-H115 WeakPolarHBondContact CG2-ND1 3.24Å; V53-V345 HydrophobicContact CB-CG1 4.41Å; V53-V345 HydrophobicContact CG1-CG1 4.19Å; V53-V345 HydrophobicContact CG2-CG1 4.28Å; V53-V345 HydrophobicContact CG2-CG2 4.4Å
54	M	98.6	Very high	98.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-34.2	178.7	-68.5	169.7	-170.2	0	0	112.5	I43 A50 C51 T56 A57 K58 A66 H77 M80 A81	I43-M54 HydrophobicContact CB-CE 4.14Å; I43-M54 HydrophobicContact CD1-CE 3.9Å; I43-M54 HydrophobicContact CD1-CG 3.84Å; I43-M54 HydrophobicContact CG1-CE 4.17Å; I43-M54 HydrophobicContact CG1-CG 4.2Å; A50-M54 HydrophobicContact CB-CE 4.22Å; A50-M54 WeakPolarHBondContact O-CB 3.38Å; A50-M54 WeakPolarHBondContact O-CG 3.37Å; A50-M54 PolarHBondContact O-N 3.37Å; C51-M54 PolarHBondContact O-N 3.23Å; M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 3.49Å; M54-A57 PolarHBondContact O-N 2.85Å; M54-K58 VanDerWaalsContact O-CB 3.26Å; M54-K58 WeakPolarHBondContact O-CB 3.49Å; M54-K58 PolarHBondContact O-N 3.34Å; M54-A66 HydrophobicContact CE-CB 3.68Å; M54-H77 HydrophobicContact CE-CB 4.26Å; M54-H77 HydrophobicContact SD-CB 4.35Å; M54-M80 HydrophobicContact CB-CE 3.46Å; M54-M80 VanDerWaalsContact CB-CE 3.46Å; M54-M80 HydrophobicContact CB-CG 4.32Å; M54-M80 HydrophobicContact CB-SD 4.03Å; M54-M80 HydrophobicContact SD-CB 4.25Å; M54-M80 HydrophobicContact SD-CG 4.26Å; M54-A81 HydrophobicContact CE-CB 3.81Å; M54-A81 HydrophobicContact SD-CB 3.91Å
55	R	98.3	Very high	98.1	Very high	83 Å²	83	35 Å²	35	31%	0.313	17%	0.171	S	C	.	.	H	α-helix	trans	-59.8	-46.7	176.2	-86.2	-169	-75.2	-86.4	-3.4	110.6	C51 V53 K59 M80 E406	C51-R55 WeakPolarHBondContact O-CG 3.33Å; C51-R55 PolarHBondContact O-N 3.39Å; V53-R55 VanDerWaalsContact C-N 3.29Å; V53-R55 PolarHBondContact O-N 3.45Å; R55-K59 PolarHBondContact O-N 2.9Å; R55-K59 VanDerWaalsContact O-N 3.08Å; R55-M80 HydrophobicContact CB-CE 4.12Å; R55-M80 HydrophobicContact CG-CE 3.52Å; R55-M80 VanDerWaalsContact N-CE 3.28Å; R55-E406 IonicContact CZ-OE2 3.83Å; R55-E406 VanDerWaalsContact NH2-CD 3.27Å; R55-E406 IonicContact NH2-OE1 3.39Å; R55-E406 PolarHBondContact NH2-OE1 2.94Å; R55-E406 IonicContact NH2-OE2 2.78Å; R55-E406 PolarHBondContact NH2-OE2 3.4Å
56	T	98.5	Very high	98.2	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-71.7	-42.9	178.3	-67.5	0	0	0	0	112	R52 V53 M54 K58 K59 M60 D343 V345 E346 L349	R52-T56 PolarHBondContact NH1-OG1 3.06Å; V53-T56 PolarHBondContact O-N 3.14Å; M54-T56 VanDerWaalsContact C-N 3.34Å; M54-T56 PolarHBondContact O-N 3.49Å; T56-K58 VanDerWaalsContact C-N 3.3Å; T56-K58 PolarHBondContact O-N 3.39Å; T56-K59 WeakPolarHBondContact O-CB 3.49Å; T56-K59 PolarHBondContact O-N 3.11Å; T56-K59 VanDerWaalsContact O-N 3.15Å; T56-M60 HydrophobicContact CG2-CG 4.4Å; T56-M60 HydrophobicContact CG2-SD 3.88Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 3.03Å; T56-D343 WeakPolarHBondContact CG2-OD2 3.27Å; T56-D343 PolarHBondContact OG1-OD1 2.85Å; T56-D343 PolarHBondContact OG1-OD2 3.06Å; T56-V345 HydrophobicContact CG2-CB 4.09Å; T56-V345 HydrophobicContact CG2-CG1 3.93Å; T56-E346 HydrophobicContact CG2-CB 3.73Å; T56-L349 HydrophobicContact CG2-CD1 4.37Å
57	A	98.3	Very high	98.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55	-47.3	175.2	0	0	0	0	0	111.3	V41 V53 M54 K59 M60 G61 V62	V41-A57 HydrophobicContact CG1-CB 4.19Å; V53-A57 PolarHBondContact O-N 3.07Å; M54-A57 PolarHBondContact O-N 2.85Å; A57-K59 PolarHBondContact O-N 2.91Å; A57-M60 CarbonylContact O-C 3.57Å; A57-M60 PolarHBondContact O-N 3.35Å; A57-M60 VanDerWaalsContact O-N 3.12Å; A57-G61 PolarHBondContact O-N 2.91Å; A57-G61 VanDerWaalsContact O-N 3.07Å; A57-V62 CarbonylContact C-O 3.41Å; A57-V62 HydrophobicContact CB-CB 4.13Å; A57-V62 PolarHBondContact O-N 2.78Å
58	K	97.8	Very high	98.3	Very high	164 Å²	164	33.9 Å²	33.9	71%	0.713	16%	0.164	S	C	*	.	H	α-helix	trans	-61.1	-44.3	176.1	-174.9	173.4	-177	171.1	0	112.8	M54 T56 M60 G61	M54-K58 VanDerWaalsContact O-CB 3.26Å; M54-K58 WeakPolarHBondContact O-CB 3.49Å; M54-K58 PolarHBondContact O-N 3.34Å; T56-K58 VanDerWaalsContact C-N 3.3Å; T56-K58 PolarHBondContact O-N 3.39Å; K58-M60 PolarHBondContact O-N 2.95Å; K58-G61 PolarHBondContact O-N 3.24Å
59	K	97.8	Very high	98.3	Very high	144 Å²	144	33.4 Å²	33.4	63%	0.626	16%	0.162	S	C	*	.	H	α-helix	trans	-57.7	-35.4	174.9	178.9	-168.9	170	-150.9	0	111.8	R55 T56 A57 E346	R55-K59 PolarHBondContact O-N 2.9Å; R55-K59 VanDerWaalsContact O-N 3.08Å; T56-K59 WeakPolarHBondContact O-CB 3.49Å; T56-K59 PolarHBondContact O-N 3.11Å; T56-K59 VanDerWaalsContact O-N 3.15Å; A57-K59 PolarHBondContact O-N 2.91Å; K59-E346 IonicContact NZ-OE2 3.57Å; K59-E346 PolarHBondContact NZ-OE2 3.45Å
60	M	97.4	Very high	98.3	Very high	65 Å²	65	36.8 Å²	36.8	32%	0.32	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.8	178.6	-64.7	177	73.8	0	0	114	T56 A57 K58 V62 E346 L349 R350	T56-M60 HydrophobicContact CG2-CG 4.4Å; T56-M60 HydrophobicContact CG2-SD 3.88Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 3.03Å; A57-M60 CarbonylContact O-C 3.57Å; A57-M60 PolarHBondContact O-N 3.35Å; A57-M60 VanDerWaalsContact O-N 3.12Å; K58-M60 PolarHBondContact O-N 2.95Å; M60-V62 VanDerWaalsContact C-N 3.31Å; M60-V62 HydrophobicContact CB-CG2 4Å; M60-E346 HydrophobicContact CE-CG 4.09Å; M60-E346 HydrophobicContact CG-CG 4.44Å; M60-E346 HydrophobicContact SD-CB 4.03Å; M60-E346 HydrophobicContact SD-CG 3.74Å; M60-L349 HydrophobicContact CE-CB 4.07Å; M60-L349 HydrophobicContact CE-CD1 4.46Å; M60-L349 HydrophobicContact SD-CB 4.17Å; M60-L349 HydrophobicContact SD-CD1 3.59Å; M60-L349 VanDerWaalsContact SD-CD1 3.59Å; M60-R350 HydrophobicContact CE-CG 4.08Å
61	G	97.1	Very high	98.1	Very high	66 Å²	66	38.8 Å²	38.8	68%	0.68	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	21.4	-174.7	0	0	0	0	0	114.2	A57 K58	A57-G61 PolarHBondContact O-N 2.91Å; A57-G61 VanDerWaalsContact O-N 3.07Å; K58-G61 PolarHBondContact O-N 3.24Å
62	V	98.2	Very high	98	Very high	14 Å²	14	39 Å²	39	9%	0.085	20%	0.197	C	C	.	.			trans	-90.9	127.2	175.2	-178	0	0	0	0	108.9	I38 V41 A57 M60	I38-V62 HydrophobicContact CG2-CG1 4.2Å; I38-V62 WeakPolarHBondContact O-CG2 3.4Å; V41-V62 HydrophobicContact CB-CG1 4.27Å; V41-V62 HydrophobicContact CG1-CG1 3.83Å; A57-V62 CarbonylContact C-O 3.41Å; A57-V62 HydrophobicContact CB-CB 4.13Å; A57-V62 PolarHBondContact O-N 2.78Å; M60-V62 VanDerWaalsContact C-N 3.31Å; M60-V62 HydrophobicContact CB-CG2 4Å
63	R	98.6	Very high	97.9	Very high	117 Å²	117	43.9 Å²	43.9	44%	0.442	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.9	177.2	-71.1	173.6	-70.7	179.2	-5	110.7	E39 K40 V41 D82	E39-R63 PolarHBondContact O-N 3.16Å; E39-R63 IonicContact OE2-NH2 3.91Å; K40-R63 CarbonylContact C-O 3.58Å; K40-R63 VanDerWaalsContact CA-O 3.32Å; K40-R63 WeakPolarHBondContact CA-O 3.46Å; K40-R63 HydrophobicContact CB-CB 4.34Å; K40-R63 HydrophobicContact CG-CB 4.02Å; V41-R63 PolarHBondContact N-O 2.82Å; R63-D82 WeakPolarHBondContact CA-OD2 3.49Å
64	S	98.6	Very high	97.8	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.028	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.5	-174.3	57.9	0	0	0	0	112.1	D82 E83	S64-D82 PolarHBondContact N-OD2 3.5Å; S64-D82 WeakPolarHBondContact O-CB 3.48Å; S64-D82 PolarHBondContact O-N 3.47Å; S64-D82 VanDerWaalsContact O-N 3.09Å; S64-D82 PolarHBondContact OG-N 3.03Å; S64-D82 PolarHBondContact OG-OD2 3.33Å; S64-E83 PolarHBondContact O-N 3.19Å
65	V	98.8	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	119	175.2	-177	0	0	0	0	109	K40 V41 L42 I43 E83 Y85 V105	K40-V65 HydrophobicContact CD-CG2 3.91Å; K40-V65 HydrophobicContact CG-CG2 3.91Å; V41-V65 PolarHBondContact O-N 3.22Å; L42-V65 CarbonylContact C-O 3.46Å; L42-V65 WeakPolarHBondContact CA-O 3.06Å; L42-V65 HydrophobicContact CB-CB 4.28Å; L42-V65 HydrophobicContact CD1-CG1 4.22Å; L42-V65 HydrophobicContact CG-CB 4.49Å; L42-V65 HydrophobicContact CG-CG1 4.44Å; I43-V65 WeakPolarHBondContact CD1-O 3.47Å; I43-V65 PolarHBondContact N-O 3.35Å; V65-E83 CarbonylContact C-O 3.53Å; V65-E83 WeakPolarHBondContact CA-O 3.23Å; V65-E83 HydrophobicContact CG1-CB 4.42Å; V65-E83 HydrophobicContact CG2-CB 4.32Å; V65-Y85 HydrophobicContact CG1-CD2 3.6Å; V65-Y85 HydrophobicContact CG1-CE2 3.69Å; V65-V105 HydrophobicContact CG1-CG1 4.44Å
66	A	98.8	Very high	97.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	152.2	172.4	0	0	0	0	0	111.8	M54 A81 E83 A84 Y85	M54-A66 HydrophobicContact CE-CB 3.68Å; A66-A81 HydrophobicContact CB-CB 3.59Å; A66-E83 PolarHBondContact N-O 2.89Å; A66-A84 HydrophobicContact CB-CB 4.03Å; A66-A84 CarbonylContact O-C 3.57Å; A66-A84 WeakPolarHBondContact O-CA 3.37Å; A66-Y85 PolarHBondContact O-N 3.47Å
67	V	98.8	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	150	159	-65.8	0	0	0	0	109.9	L42 H77 Y85 I87 Y96 V105	L42-V67 HydrophobicContact CD1-CG1 3.98Å; L42-V67 HydrophobicContact CD2-CG1 4.3Å; L42-V67 HydrophobicContact CG-CG1 4.35Å; V67-H77 PolarHBondContact O-NE2 3.16Å; V67-Y85 CarbonylContact C-O 3.12Å; V67-Y85 WeakPolarHBondContact CA-O 3.29Å; V67-I87 HydrophobicContact CB-CD1 3.88Å; V67-I87 HydrophobicContact CB-CG1 4.21Å; V67-I87 HydrophobicContact CB-CG2 3.86Å; V67-I87 HydrophobicContact CG1-CG2 3.91Å; V67-I87 HydrophobicContact CG2-CD1 3.88Å; V67-Y96 HydrophobicContact CG2-CD1 4.13Å; V67-Y96 HydrophobicContact CG2-CE1 4.03Å; V67-V105 HydrophobicContact CG1-CB 4.25Å; V67-V105 HydrophobicContact CG1-CG1 3.94Å; V67-V105 HydrophobicContact CG1-CG2 4.44Å
68	Y	98.6	Very high	97.7	Very high	35 Å²	35	50.6 Å²	50.6	14%	0.137	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	146.8	179.7	68.8	-86.7	0	0	0	113.8	R73 V78 A84 Y85 H86 I87 Y96	Y68-R73 HydrophobicContact CD2-CB 4.35Å; Y68-R73 HydrophobicContact CE2-CB 4.24Å; Y68-R73 HydrophobicContact CE2-CG 4.25Å; Y68-V78 VanDerWaalsContact CB-CG2 3.41Å; Y68-V78 HydrophobicContact CD1-CG1 4.32Å; Y68-V78 HydrophobicContact CD1-CG2 3.91Å; Y68-V78 HydrophobicContact CG-CG2 3.74Å; Y68-A84 HydrophobicContact CD1-CB 3.96Å; Y68-A84 HydrophobicContact CE1-CB 3.96Å; Y68-Y85 VanDerWaalsContact CD1-C 3.44Å; Y68-Y85 VanDerWaalsContact CD1-O 3.26Å; Y68-Y85 WeakPolarHBondContact CD1-O 3.47Å; Y68-Y85 PolarHBondContact N-O 3.01Å; Y68-H86 HydrophobicContact CE1-CB 4.27Å; Y68-H86 HydrophobicContact CE2-CB 3.9Å; Y68-H86 AromaticContact CE2-CD2 3.85Å; Y68-H86 CarbonylContact O-C 3.54Å; Y68-H86 WeakPolarHBondContact O-CA 3.44Å; Y68-H86 PolarHBondContact O-CD2 2.89Å; Y68-I87 VanDerWaalsContact O-CG1 3.28Å; Y68-I87 WeakPolarHBondContact O-CG1 3.32Å; Y68-I87 PolarHBondContact O-N 3.01Å; Y68-Y96 WeakPolarHBondContact CA-OH 3.41Å
69	S	98.2	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.			trans	-86.1	171.6	169	72.4	0	0	0	0	111.4	A71 D72 R73 G88 Y419	S69-A71 PolarHBondContact O-N 2.77Å; S69-A71 PolarHBondContact OG-N 3.34Å; S69-D72 PolarHBondContact O-N 2.88Å; S69-D72 PolarHBondContact OG-N 2.94Å; S69-R73 PolarHBondContact O-N 3.15Å; S69-G88 CarbonylContact C-O 3.57Å; S69-G88 WeakPolarHBondContact CA-O 3.43Å; S69-G88 WeakPolarHBondContact CB-O 3.22Å; S69-Y419 VanDerWaalsContact CB-OH 3.28Å; S69-Y419 WeakPolarHBondContact CB-OH 3.37Å; S69-Y419 PolarHBondContact OG-OH 2.83Å
70	D	97	Very high	97.7	Very high	72 Å²	72	41.7 Å²	41.7	39%	0.385	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-52.9	-36.7	173.3	-76.7	-48	0	0	0	114	D72 R73 H86 G88 P90	D70-D72 VanDerWaalsContact C-N 3.3Å; D70-D72 PolarHBondContact O-N 3.39Å; D70-R73 IonicContact OD1-CZ 3.89Å; D70-R73 IonicContact OD1-NH2 3.19Å; D70-R73 PolarHBondContact OD1-NH2 3.05Å; D70-H86 IonicContact OD1-CD2 2.83Å; D70-H86 IonicContact OD1-CE1 3.57Å; D70-H86 IonicContact OD1-NE2 2.72Å; D70-H86 PolarHBondContact OD1-NE2 2.9Å; D70-H86 VanDerWaalsContact OD1-NE2 3.09Å; D70-H86 IonicContact OD2-CE1 3.78Å; D70-H86 IonicContact OD2-NE2 3.2Å; D70-G88 PolarHBondContact N-O 2.9Å; D70-P90 HydrophobicContact CB-CG 4.3Å
71	A	94.6	Very high	97.7	Very high	43 Å²	43	39.3 Å²	39.3	36%	0.355	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-71.6	-23.7	178.5	0	0	0	0	0	113.3	S69 P90 Y419	S69-A71 PolarHBondContact O-N 2.77Å; S69-A71 PolarHBondContact OG-N 3.34Å; A71-P90 HydrophobicContact CB-CB 3.73Å; A71-P90 HydrophobicContact CB-CG 3.8Å; A71-Y419 HydrophobicContact CB-CE2 4.04Å
72	D	97.4	Very high	97.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-99.6	8.3	-177.6	-74.6	-47.1	0	0	0	113.2	R46 S69 D70 H74 S75 V78 Y96 Y419	R46-D72 WeakPolarHBondContact CD-OD2 3.21Å; R46-D72 IonicContact CZ-OD1 3.56Å; R46-D72 IonicContact CZ-OD2 2.67Å; R46-D72 IonicContact NE-OD1 3.1Å; R46-D72 PolarHBondContact NE-OD1 2.94Å; R46-D72 IonicContact NE-OD2 3.92Å; R46-D72 PolarHBondContact NE-OD2 2.77Å; R46-D72 IonicContact NH2-OD1 3.98Å; R46-D72 PolarHBondContact NH2-OD1 2.73Å; R46-D72 IonicContact NH2-OD2 3.26Å; S69-D72 PolarHBondContact O-N 2.88Å; S69-D72 PolarHBondContact OG-N 2.94Å; D70-D72 VanDerWaalsContact C-N 3.3Å; D70-D72 PolarHBondContact O-N 3.39Å; D72-H74 PolarHBondContact O-N 2.74Å; D72-S75 VanDerWaalsContact O-CB 3.26Å; D72-S75 WeakPolarHBondContact O-CB 3.33Å; D72-S75 PolarHBondContact O-N 3.08Å; D72-S75 PolarHBondContact O-OG 3.03Å; D72-V78 WeakPolarHBondContact O-CG2 3.47Å; D72-Y96 WeakPolarHBondContact CB-OH 3.39Å; D72-Y96 VanDerWaalsContact CG-OH 3.31Å; D72-Y96 VanDerWaalsContact OD2-CE2 3.27Å; D72-Y96 WeakPolarHBondContact OD2-CE2 3.22Å; D72-Y96 VanDerWaalsContact OD2-CZ 3.3Å; D72-Y96 PolarHBondContact OD2-OH 3.27Å; D72-Y419 VanDerWaalsContact OD2-CE2 3.32Å; D72-Y419 WeakPolarHBondContact OD2-CE2 3.41Å
73	R	96.7	Very high	97.8	Very high	105 Å²	105	43.5 Å²	43.5	40%	0.396	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-33.1	-176.3	-176.5	176.5	-62.5	-83.7	-4.1	114.3	Y68 S69 D70	Y68-R73 HydrophobicContact CD2-CB 4.35Å; Y68-R73 HydrophobicContact CE2-CB 4.24Å; Y68-R73 HydrophobicContact CE2-CG 4.25Å; S69-R73 PolarHBondContact O-N 3.15Å; D70-R73 IonicContact OD1-CZ 3.89Å; D70-R73 IonicContact OD1-NH2 3.19Å; D70-R73 PolarHBondContact OD1-NH2 3.05Å
74	H	95.9	Very high	97.8	Very high	154 Å²	154	39.6 Å²	39.6	71%	0.713	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	8.2	-179.2	-59.1	-58.9	0	0	0	113.6	D72	D72-H74 PolarHBondContact O-N 2.74Å
75	S	96.8	Very high	97.8	Very high	14 Å²	14	41.7 Å²	41.7	10%	0.098	23%	0.225	C	C	.	.			trans	-64.8	159.3	-176.6	63.4	0	0	0	0	113.3	D72 H77 V78 A79	D72-S75 VanDerWaalsContact O-CB 3.26Å; D72-S75 WeakPolarHBondContact O-CB 3.33Å; D72-S75 PolarHBondContact O-N 3.08Å; D72-S75 PolarHBondContact O-OG 3.03Å; S75-H77 VanDerWaalsContact C-N 3.33Å; S75-H77 PolarHBondContact O-N 3.26Å; S75-H77 PolarHBondContact OG-CE1 3.26Å; S75-H77 PolarHBondContact OG-ND1 3.46Å; S75-H77 VanDerWaalsContact OG-ND1 3.08Å; S75-V78 PolarHBondContact O-N 3.14Å; S75-V78 WeakPolarHBondContact OG-CG2 3.45Å; S75-A79 PolarHBondContact O-N 3.43Å
76	M	97.4	Very high	97.8	Very high	37 Å²	37	45.5 Å²	45.5	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-39.3	-175.2	179.3	162.9	-173.9	0	0	113.9	A79 M80 T407 G408 R410	M76-A79 PolarHBondContact O-N 3.08Å; M76-M80 WeakPolarHBondContact O-CB 3.37Å; M76-M80 PolarHBondContact O-N 2.73Å; M76-M80 VanDerWaalsContact O-N 3.13Å; M76-T407 HydrophobicContact SD-CG2 4.34Å; M76-G408 WeakPolarHBondContact CB-O 3.35Å; M76-R410 HydrophobicContact CB-CG 4.47Å; M76-R410 HydrophobicContact CG-CG 4.42Å; M76-R410 VanDerWaalsContact CG-NE 3.33Å; M76-R410 PolarHBondContact O-NH2 2.9Å; M76-R410 HydrophobicContact SD-CG 3.92Å
77	H	98.3	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-72.8	-31.9	-177	71.6	-80.5	0	0	0	112.3	G47 A50 M54 V67 S75 M80 A81	G47-H77 PolarHBondContact N-ND1 3.31Å; A50-H77 HydrophobicContact CB-CB 3.59Å; M54-H77 HydrophobicContact CE-CB 4.26Å; M54-H77 HydrophobicContact SD-CB 4.35Å; V67-H77 PolarHBondContact O-NE2 3.16Å; S75-H77 VanDerWaalsContact C-N 3.33Å; S75-H77 PolarHBondContact O-N 3.26Å; S75-H77 PolarHBondContact OG-CE1 3.26Å; S75-H77 PolarHBondContact OG-ND1 3.46Å; S75-H77 VanDerWaalsContact OG-ND1 3.08Å; H77-M80 PolarHBondContact O-N 3.15Å; H77-A81 PolarHBondContact O-N 3.21Å; H77-A81 VanDerWaalsContact O-N 3.11Å
78	V	98.3	Very high	97.7	Very high	24 Å²	24	46.1 Å²	46.1	15%	0.145	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-45.9	174.2	172	0	0	0	0	110.7	Y68 D72 S75 M80 A84	Y68-V78 VanDerWaalsContact CB-CG2 3.41Å; Y68-V78 HydrophobicContact CD1-CG1 4.32Å; Y68-V78 HydrophobicContact CD1-CG2 3.91Å; Y68-V78 HydrophobicContact CG-CG2 3.74Å; D72-V78 WeakPolarHBondContact O-CG2 3.47Å; S75-V78 PolarHBondContact O-N 3.14Å; S75-V78 WeakPolarHBondContact OG-CG2 3.45Å; V78-M80 PolarHBondContact O-N 3.34Å; V78-A84 HydrophobicContact CG1-CB 3.83Å
79	A	97.9	Very high	97.6	Very high	69 Å²	69	46.4 Å²	46.4	57%	0.57	25%	0.254	S	S	*	.	H	α-helix	trans	-72.4	-15.1	177.6	0	0	0	0	0	113.7	S75 M76	S75-A79 PolarHBondContact O-N 3.43Å; M76-A79 PolarHBondContact O-N 3.08Å
80	M	98.1	Very high	97.4	Very high	52 Å²	52	47.7 Å²	47.7	26%	0.256	26%	0.263	S	S	.	.	H	α-helix	trans	-90.7	-30.3	-179.5	-178.2	176.5	169.2	0	0	113.2	C51 M54 R55 M76 H77 V78	C51-M80 HydrophobicContact CB-SD 3.89Å; C51-M80 WeakPolarHBondContact O-CE 3.32Å; M54-M80 HydrophobicContact CB-CE 3.46Å; M54-M80 VanDerWaalsContact CB-CE 3.46Å; M54-M80 HydrophobicContact CB-CG 4.32Å; M54-M80 HydrophobicContact CB-SD 4.03Å; M54-M80 HydrophobicContact SD-CB 4.25Å; M54-M80 HydrophobicContact SD-CG 4.26Å; R55-M80 HydrophobicContact CB-CE 4.12Å; R55-M80 HydrophobicContact CG-CE 3.52Å; R55-M80 VanDerWaalsContact N-CE 3.28Å; M76-M80 WeakPolarHBondContact O-CB 3.37Å; M76-M80 PolarHBondContact O-N 2.73Å; M76-M80 VanDerWaalsContact O-N 3.13Å; H77-M80 PolarHBondContact O-N 3.15Å; V78-M80 PolarHBondContact O-N 3.34Å
81	A	98.3	Very high	97.2	Very high	16 Å²	16	46.6 Å²	46.6	13%	0.132	26%	0.26	C	S	.	.	S	Bend	trans	-71.2	155.7	-177.2	0	0	0	0	0	112.6	M54 A66 H77 E83	M54-A81 HydrophobicContact CE-CB 3.81Å; M54-A81 HydrophobicContact SD-CB 3.91Å; A66-A81 HydrophobicContact CB-CB 3.59Å; H77-A81 PolarHBondContact O-N 3.21Å; H77-A81 VanDerWaalsContact O-N 3.11Å; A81-E83 VanDerWaalsContact C-N 3.32Å; A81-E83 WeakPolarHBondContact CB-O 3.39Å
82	D	98.5	Very high	97.1	Very high	103 Å²	103	45.4 Å²	45.4	55%	0.551	25%	0.248	S	C	*	.	S	Bend	trans	-71.5	-32.6	174.5	-56.9	-73.6	0	0	0	111.3	R63 S64	R63-D82 WeakPolarHBondContact CA-OD2 3.49Å; S64-D82 PolarHBondContact N-OD2 3.5Å; S64-D82 WeakPolarHBondContact O-CB 3.48Å; S64-D82 PolarHBondContact O-N 3.47Å; S64-D82 VanDerWaalsContact O-N 3.09Å; S64-D82 PolarHBondContact OG-N 3.03Å; S64-D82 PolarHBondContact OG-OD2 3.33Å
83	E	98.1	Very high	96.9	Very high	64 Å²	64	53.1 Å²	53.1	30%	0.299	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.2	173.8	-66.4	168.2	-151.9	0	0	110	K40 S64 V65 A66 A81 Y85	K40-E83 WeakPolarHBondContact CE-OE1 3.26Å; K40-E83 IonicContact NZ-OE1 3.75Å; K40-E83 PolarHBondContact NZ-OE1 2.83Å; K40-E83 IonicContact NZ-OE2 4Å; K40-E83 PolarHBondContact NZ-OE2 3.32Å; S64-E83 PolarHBondContact O-N 3.19Å; V65-E83 CarbonylContact C-O 3.53Å; V65-E83 WeakPolarHBondContact CA-O 3.23Å; V65-E83 HydrophobicContact CG1-CB 4.42Å; V65-E83 HydrophobicContact CG2-CB 4.32Å; A66-E83 PolarHBondContact N-O 2.89Å; A81-E83 VanDerWaalsContact C-N 3.32Å; A81-E83 WeakPolarHBondContact CB-O 3.39Å; E83-Y85 HydrophobicContact CB-CE2 3.96Å; E83-Y85 PolarHBondContact OE2-OH 3.48Å
84	A	98.5	Very high	96.7	Very high	36 Å²	36	53.5 Å²	53.5	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	137.5	177.3	0	0	0	0	0	111.4	A66 Y68 V78	A66-A84 HydrophobicContact CB-CB 4.03Å; A66-A84 CarbonylContact O-C 3.57Å; A66-A84 WeakPolarHBondContact O-CA 3.37Å; Y68-A84 HydrophobicContact CD1-CB 3.96Å; Y68-A84 HydrophobicContact CE1-CB 3.96Å; V78-A84 HydrophobicContact CG1-CB 3.83Å
85	Y	98.8	Very high	96.8	Very high	48 Å²	48	46.1 Å²	46.1	19%	0.188	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.9	-176.1	-68.2	-101.7	0	0	0	112.2	V65 A66 V67 Y68 E83 V105 R108	V65-Y85 HydrophobicContact CG1-CD2 3.6Å; V65-Y85 HydrophobicContact CG1-CE2 3.69Å; A66-Y85 PolarHBondContact O-N 3.47Å; V67-Y85 CarbonylContact C-O 3.12Å; V67-Y85 WeakPolarHBondContact CA-O 3.29Å; Y68-Y85 VanDerWaalsContact CD1-C 3.44Å; Y68-Y85 VanDerWaalsContact CD1-O 3.26Å; Y68-Y85 WeakPolarHBondContact CD1-O 3.47Å; Y68-Y85 PolarHBondContact N-O 3.01Å; E83-Y85 HydrophobicContact CB-CE2 3.96Å; E83-Y85 PolarHBondContact OE2-OH 3.48Å; Y85-V105 VanDerWaalsContact CB-CG1 3.5Å; Y85-V105 HydrophobicContact CD1-CG1 4.13Å; Y85-V105 HydrophobicContact CD2-CG1 3.65Å; Y85-V105 HydrophobicContact CE2-CG1 4.4Å; Y85-V105 HydrophobicContact CG-CG1 3.5Å; Y85-V105 VanDerWaalsContact CG-CG1 3.5Å; Y85-V105 HydrophobicContact CG-CG2 4.39Å; Y85-R108 HydrophobicContact CE1-CG 4.44Å
86	H	98.6	Very high	96.8	Very high	79 Å²	79	45.5 Å²	45.5	37%	0.366	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.5	176.8	-178.9	-120.2	0	0	0	111.4	Y68 D70 G88	Y68-H86 HydrophobicContact CE1-CB 4.27Å; Y68-H86 HydrophobicContact CE2-CB 3.9Å; Y68-H86 AromaticContact CE2-CD2 3.85Å; Y68-H86 CarbonylContact O-C 3.54Å; Y68-H86 WeakPolarHBondContact O-CA 3.44Å; Y68-H86 PolarHBondContact O-CD2 2.89Å; D70-H86 IonicContact OD1-CD2 2.83Å; D70-H86 IonicContact OD1-CE1 3.57Å; D70-H86 IonicContact OD1-NE2 2.72Å; D70-H86 PolarHBondContact OD1-NE2 2.9Å; D70-H86 VanDerWaalsContact OD1-NE2 3.09Å; D70-H86 IonicContact OD2-CE1 3.78Å; D70-H86 IonicContact OD2-NE2 3.2Å; H86-G88 VanDerWaalsContact CE1-CA 3.42Å; H86-G88 WeakPolarHBondContact CE1-CA 3.34Å; H86-G88 PolarHBondContact CE1-N 2.87Å; H86-G88 WeakPolarHBondContact NE2-CA 3.48Å; H86-G88 PolarHBondContact NE2-N 2.76Å; H86-G88 PolarHBondContact NE2-O 3.43Å; H86-G88 VanDerWaalsContact NE2-O 3.08Å
87	I	98.3	Very high	96.8	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	26%	0.26	C	S	.	.			trans	-120	14.6	-179.3	57.2	164.5	0	0	0	113.5	V67 Y68 Y96 K101 V105	V67-I87 HydrophobicContact CB-CD1 3.88Å; V67-I87 HydrophobicContact CB-CG1 4.21Å; V67-I87 HydrophobicContact CB-CG2 3.86Å; V67-I87 HydrophobicContact CG1-CG2 3.91Å; V67-I87 HydrophobicContact CG2-CD1 3.88Å; Y68-I87 VanDerWaalsContact O-CG1 3.28Å; Y68-I87 WeakPolarHBondContact O-CG1 3.32Å; Y68-I87 PolarHBondContact O-N 3.01Å; I87-Y96 HydrophobicContact CD1-CD1 3.84Å; I87-Y96 HydrophobicContact CD1-CE1 4.13Å; I87-Y96 HydrophobicContact CD1-CG 4.17Å; I87-K101 HydrophobicContact CB-CB 4.38Å; I87-K101 HydrophobicContact CB-CD 4.42Å; I87-K101 HydrophobicContact CG2-CB 4.37Å; I87-K101 WeakPolarHBondContact O-CD 3.37Å; I87-K101 PolarHBondContact O-NZ 2.94Å; I87-V105 HydrophobicContact CG2-CG2 3.95Å
88	G	97.6	Very high	96.8	Very high	9 Å²	9	48 Å²	48	9%	0.093	27%	0.268	C	S	.	.			trans	109.3	-159.7	170.2	0	0	0	0	0	114.8	S69 D70 H86	S69-G88 CarbonylContact C-O 3.57Å; S69-G88 WeakPolarHBondContact CA-O 3.43Å; S69-G88 WeakPolarHBondContact CB-O 3.22Å; D70-G88 PolarHBondContact N-O 2.9Å; H86-G88 VanDerWaalsContact CE1-CA 3.42Å; H86-G88 WeakPolarHBondContact CE1-CA 3.34Å; H86-G88 PolarHBondContact CE1-N 2.87Å; H86-G88 WeakPolarHBondContact NE2-CA 3.48Å; H86-G88 PolarHBondContact NE2-N 2.76Å; H86-G88 PolarHBondContact NE2-O 3.43Å; H86-G88 VanDerWaalsContact NE2-O 3.08Å
89	P	97.2	Very high	96.7	Very high	40 Å²	40	50 Å²	50	26%	0.26	28%	0.276	S	S	.	.	S	Bend	trans	-71.3	167.8	-166.3	30.4	-36.2	0	0	0	112.8	P91 Q94 S95	P89-P91 VanDerWaalsContact C-CD 3.46Å; P89-Q94 HydrophobicContact CG-CB 3.85Å; P89-S95 WeakPolarHBondContact O-CB 3.26Å; P89-S95 PolarHBondContact O-OG 2.95Å
90	P	93.9	Very high	96.7	Very high	28 Å²	28	54.1 Å²	54.1	18%	0.182	28%	0.284	C	S	.	.	S	Bend	trans	-56.8	-39.4	-173.5	-26	35.6	0	0	0	116.6	D70 A71 S92 H418 Y419	D70-P90 HydrophobicContact CB-CG 4.3Å; A71-P90 HydrophobicContact CB-CB 3.73Å; A71-P90 HydrophobicContact CB-CG 3.8Å; P90-S92 PolarHBondContact O-N 3.46Å; P90-H418 HydrophobicContact CB-CB 4.27Å; P90-H418 WeakPolarHBondContact CB-CD2 3.45Å; P90-H418 WeakPolarHBondContact CB-NE2 3.35Å; P90-Y419 PolarHBondContact O-OH 3.12Å
91	P	91.9	Very high	96.7	Very high	49 Å²	49	54.6 Å²	54.6	32%	0.318	28%	0.284	S	S	.	.	S	Bend	trans	-56.4	125.6	-179.3	-27.4	36.4	0	0	0	112.3	P89 Q93 Q94 S95	P89-P91 VanDerWaalsContact C-CD 3.46Å; P91-Q93 PolarHBondContact O-N 2.87Å; P91-Q93 VanDerWaalsContact O-N 3.16Å; P91-Q94 PolarHBondContact O-N 2.88Å; P91-S95 PolarHBondContact O-N 2.96Å; P91-S95 PolarHBondContact O-OG 2.95Å
92	S	92.9	Very high	96.7	Very high	17 Å²	17	53.9 Å²	53.9	12%	0.119	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-58.8	-34.4	-172.9	-64.4	0	0	0	0	113.2	P90 Q94 S95 Y96 L97 F120 Y419	P90-S92 PolarHBondContact O-N 3.46Å; S92-Q94 PolarHBondContact O-N 2.92Å; S92-S95 WeakPolarHBondContact CA-OG 3.46Å; S92-S95 CarbonylContact O-C 3.53Å; S92-S95 PolarHBondContact O-N 2.82Å; S92-S95 VanDerWaalsContact O-N 3.13Å; S92-Y96 PolarHBondContact O-N 2.86Å; S92-Y96 VanDerWaalsContact O-N 3.16Å; S92-L97 WeakPolarHBondContact O-CB 3.41Å; S92-L97 PolarHBondContact O-N 3.34Å; S92-F120 WeakPolarHBondContact OG-CE1 3.48Å; S92-Y419 WeakPolarHBondContact OG-CE1 3.5Å
93	Q	92.5	Very high	96.7	Very high	167 Å²	167	49.9 Å²	49.9	78%	0.78	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-59.3	-30	176.4	-67.4	-173.8	18.4	0	0	113.1	P91 L97	P91-Q93 PolarHBondContact O-N 2.87Å; P91-Q93 VanDerWaalsContact O-N 3.16Å; Q93-L97 HydrophobicContact CG-CD1 4.13Å
94	Q	93.8	Very high	96.7	Very high	112 Å²	112	52.2 Å²	52.2	52%	0.523	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-99	-5.1	-179.2	-59.6	179.7	25.6	0	0	112.5	P89 P91 S92 K101	P89-Q94 HydrophobicContact CG-CB 3.85Å; P91-Q94 PolarHBondContact O-N 2.88Å; S92-Q94 PolarHBondContact O-N 2.92Å; Q94-K101 PolarHBondContact O-NZ 3.29Å
95	S	97	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-97.5	-179.3	52.8	0	0	0	0	111.1	P89 P91 S92 L97 S98	P89-S95 WeakPolarHBondContact O-CB 3.26Å; P89-S95 PolarHBondContact O-OG 2.95Å; P91-S95 PolarHBondContact O-N 2.96Å; P91-S95 PolarHBondContact O-OG 2.95Å; S92-S95 WeakPolarHBondContact CA-OG 3.46Å; S92-S95 CarbonylContact O-C 3.53Å; S92-S95 PolarHBondContact O-N 2.82Å; S92-S95 VanDerWaalsContact O-N 3.13Å; S95-L97 PolarHBondContact O-N 3.24Å; S95-L97 VanDerWaalsContact O-N 3.12Å; S95-S98 WeakPolarHBondContact O-CB 3.12Å; S95-S98 PolarHBondContact O-N 2.82Å
96	Y	97.6	Very high	96.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.7	-170.5	-66	-76.7	0	0	0	115.4	R46 V67 Y68 D72 I87 S92 F120 Y419	R46-Y96 HydrophobicContact CB-CE1 3.83Å; R46-Y96 HydrophobicContact CB-CE2 4.27Å; R46-Y96 WeakPolarHBondContact CB-OH 3.44Å; R46-Y96 HydrophobicContact CG-CE1 4.47Å; R46-Y96 HydrophobicContact CG-CE2 4.33Å; V67-Y96 HydrophobicContact CG2-CD1 4.13Å; V67-Y96 HydrophobicContact CG2-CE1 4.03Å; Y68-Y96 WeakPolarHBondContact CA-OH 3.41Å; D72-Y96 WeakPolarHBondContact CB-OH 3.39Å; D72-Y96 VanDerWaalsContact CG-OH 3.31Å; D72-Y96 VanDerWaalsContact OD2-CE2 3.27Å; D72-Y96 WeakPolarHBondContact OD2-CE2 3.22Å; D72-Y96 VanDerWaalsContact OD2-CZ 3.3Å; D72-Y96 PolarHBondContact OD2-OH 3.27Å; I87-Y96 HydrophobicContact CD1-CD1 3.84Å; I87-Y96 HydrophobicContact CD1-CE1 4.13Å; I87-Y96 HydrophobicContact CD1-CG 4.17Å; S92-Y96 PolarHBondContact O-N 2.86Å; S92-Y96 VanDerWaalsContact O-N 3.16Å; Y96-F120 HydrophobicContact CD2-CE1 4.39Å; Y96-F120 HydrophobicContact CD2-CZ 4.33Å; Y96-F120 HydrophobicContact CG-CE1 4.23Å; Y96-F120 HydrophobicContact CG-CZ 4.27Å; Y96-Y419 AromaticContact CD2-CE1 3.96Å; Y96-Y419 HydrophobicContact CD2-CE1 3.96Å; Y96-Y419 AromaticContact CE2-CE1 3.89Å; Y96-Y419 HydrophobicContact CE2-CE1 3.89Å; Y96-Y419 AromaticContact CE2-CZ 3.87Å
97	L	97.1	Very high	96.6	Very high	67 Å²	67	49.9 Å²	49.9	35%	0.351	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.6	173.9	-66.6	170.1	0	0	0	113.1	S92 Q93 S95 M99 F120 L121	S92-L97 WeakPolarHBondContact O-CB 3.41Å; S92-L97 PolarHBondContact O-N 3.34Å; Q93-L97 HydrophobicContact CG-CD1 4.13Å; S95-L97 PolarHBondContact O-N 3.24Å; S95-L97 VanDerWaalsContact O-N 3.12Å; L97-M99 PolarHBondContact O-N 3.38Å; L97-M99 VanDerWaalsContact O-N 3.12Å; L97-F120 HydrophobicContact CD2-CB 4.13Å; L97-F120 HydrophobicContact CD2-CD1 4.09Å; L97-F120 HydrophobicContact CG-CD1 4.1Å; L97-L121 HydrophobicContact CD2-CD2 4.37Å
98	S	97.6	Very high	96.6	Very high	24 Å²	24	58.4 Å²	58.4	17%	0.168	28%	0.284	C	S	.	.			trans	-80.1	93.9	177.2	-175.4	0	0	0	0	110	S95 E100 K101 V102	S95-S98 WeakPolarHBondContact O-CB 3.12Å; S95-S98 PolarHBondContact O-N 2.82Å; S98-E100 VanDerWaalsContact C-N 3.25Å; S98-E100 PolarHBondContact O-N 3.19Å; S98-K101 PolarHBondContact O-N 3.22Å; S98-K101 WeakPolarHBondContact OG-CG 3.46Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.13Å; S98-V102 VanDerWaalsContact O-N 3.11Å
99	M	97.7	Very high	96.6	Very high	66 Å²	66	58.4 Å²	58.4	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-52.5	-44.2	178.1	-65.3	-175.5	-73.5	0	0	112.2	L97 K101 V102 L103 L121 N124 E126 F127	L97-M99 PolarHBondContact O-N 3.38Å; L97-M99 VanDerWaalsContact O-N 3.12Å; M99-K101 PolarHBondContact O-N 3.19Å; M99-V102 PolarHBondContact O-N 3.3Å; M99-L103 WeakPolarHBondContact O-CB 3.47Å; M99-L103 VanDerWaalsContact O-CG 3.3Å; M99-L103 WeakPolarHBondContact O-CG 3.44Å; M99-L103 PolarHBondContact O-N 2.81Å; M99-L121 HydrophobicContact CG-CD1 4.23Å; M99-L121 HydrophobicContact CG-CD2 3.7Å; M99-N124 PolarHBondContact SD-OD1 3.22Å; M99-E126 HydrophobicContact CE-CB 4.44Å; M99-E126 HydrophobicContact SD-CB 4.15Å; M99-F127 HydrophobicContact CB-CD2 3.87Å; M99-F127 HydrophobicContact CB-CE2 4.49Å; M99-F127 HydrophobicContact CG-CB 4.03Å; M99-F127 HydrophobicContact CG-CD2 3.7Å; M99-F127 HydrophobicContact CG-CG 4.24Å; M99-F127 HydrophobicContact SD-CB 3.73Å; M99-F127 HydrophobicContact SD-CD2 4.33Å
100	E	97.4	Very high	96.6	Very high	155 Å²	155	58.6 Å²	58.6	72%	0.724	29%	0.291	S	S	*	.	H	α-helix	trans	-56.3	-51.8	179.6	-176.5	-178	-179.2	0	0	111.6	S98 V102 L103 E104	S98-E100 VanDerWaalsContact C-N 3.25Å; S98-E100 PolarHBondContact O-N 3.19Å; E100-V102 PolarHBondContact O-N 2.64Å; E100-L103 PolarHBondContact O-N 2.74Å; E100-E104 WeakPolarHBondContact O-CB 3.13Å; E100-E104 PolarHBondContact O-N 3.34Å
101	K	98.2	Very high	96.8	Very high	62 Å²	62	57.6 Å²	57.6	27%	0.27	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-41	-179.4	-67.2	-177.8	-179.3	178.4	0	112.4	I87 Q94 S98 M99 E104 V105	I87-K101 HydrophobicContact CB-CB 4.38Å; I87-K101 HydrophobicContact CB-CD 4.42Å; I87-K101 HydrophobicContact CG2-CB 4.37Å; I87-K101 WeakPolarHBondContact O-CD 3.37Å; I87-K101 PolarHBondContact O-NZ 2.94Å; Q94-K101 PolarHBondContact O-NZ 3.29Å; S98-K101 PolarHBondContact O-N 3.22Å; S98-K101 WeakPolarHBondContact OG-CG 3.46Å; M99-K101 PolarHBondContact O-N 3.19Å; K101-E104 PolarHBondContact O-N 3.05Å; K101-V105 WeakPolarHBondContact O-CG2 2.91Å; K101-V105 PolarHBondContact O-N 3.31Å
102	V	98.3	Very high	97.1	Very high	1 Å²	1	59 Å²	59	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-43.6	178.8	175.7	0	0	0	0	110.6	L42 A44 S98 M99 E100 V105 A106 L121 F127	L42-V102 HydrophobicContact CD2-CG1 3.9Å; A44-V102 HydrophobicContact CB-CG1 3.72Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.13Å; S98-V102 VanDerWaalsContact O-N 3.11Å; M99-V102 PolarHBondContact O-N 3.3Å; E100-V102 PolarHBondContact O-N 2.64Å; V102-V105 PolarHBondContact O-N 3.14Å; V102-A106 WeakPolarHBondContact O-CB 3.39Å; V102-A106 PolarHBondContact O-N 3.36Å; V102-L121 HydrophobicContact CB-CD1 4.43Å; V102-L121 HydrophobicContact CG2-CD1 4.14Å; V102-F127 HydrophobicContact CB-CE2 4.2Å; V102-F127 HydrophobicContact CB-CZ 4.38Å; V102-F127 HydrophobicContact CG1-CE2 3.97Å; V102-F127 HydrophobicContact CG1-CZ 3.67Å
103	L	98.1	Very high	97.4	Very high	19 Å²	19	58.2 Å²	58.2	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-40.4	176.5	-71.5	168.7	0	0	0	112.1	M99 E100 V105 A106 K107 F127 A130 I136	M99-L103 WeakPolarHBondContact O-CB 3.47Å; M99-L103 VanDerWaalsContact O-CG 3.3Å; M99-L103 WeakPolarHBondContact O-CG 3.44Å; M99-L103 PolarHBondContact O-N 2.81Å; E100-L103 PolarHBondContact O-N 2.74Å; L103-V105 VanDerWaalsContact C-N 3.34Å; L103-V105 PolarHBondContact O-N 2.72Å; L103-A106 PolarHBondContact O-N 2.85Å; L103-K107 WeakPolarHBondContact O-CG 3.41Å; L103-K107 PolarHBondContact O-N 3.27Å; L103-F127 HydrophobicContact CD2-CE2 4.1Å; L103-F127 HydrophobicContact CG-CD2 4.46Å; L103-F127 HydrophobicContact CG-CE2 3.93Å; L103-A130 HydrophobicContact CD1-CB 3.64Å; L103-I136 HydrophobicContact CD2-CD1 4.26Å
104	E	98.1	Very high	97.7	Very high	113 Å²	113	50.2 Å²	50.2	53%	0.528	24%	0.244	S	C	.	.	H	α-helix	trans	-57.4	-47.9	174.7	-172.2	-164.5	156.8	0	0	110.8	E100 K101 K107 R108	E100-E104 WeakPolarHBondContact O-CB 3.13Å; E100-E104 PolarHBondContact O-N 3.34Å; K101-E104 PolarHBondContact O-N 3.05Å; E104-K107 PolarHBondContact O-N 2.88Å; E104-R108 VanDerWaalsContact O-CB 3.28Å; E104-R108 WeakPolarHBondContact O-CB 3.27Å; E104-R108 PolarHBondContact O-N 3.21Å
105	V	98.5	Very high	97.9	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-42.2	177	176.4	0	0	0	0	111.3	L42 V65 V67 Y85 I87 K101 V102 L103 K107 R108 S109	L42-V105 HydrophobicContact CD1-CB 3.97Å; L42-V105 HydrophobicContact CD1-CG1 3.5Å; L42-V105 VanDerWaalsContact CD1-CG1 3.5Å; V65-V105 HydrophobicContact CG1-CG1 4.44Å; V67-V105 HydrophobicContact CG1-CB 4.25Å; V67-V105 HydrophobicContact CG1-CG1 3.94Å; V67-V105 HydrophobicContact CG1-CG2 4.44Å; Y85-V105 VanDerWaalsContact CB-CG1 3.5Å; Y85-V105 HydrophobicContact CD1-CG1 4.13Å; Y85-V105 HydrophobicContact CD2-CG1 3.65Å; Y85-V105 HydrophobicContact CE2-CG1 4.4Å; Y85-V105 HydrophobicContact CG-CG1 3.5Å; Y85-V105 VanDerWaalsContact CG-CG1 3.5Å; Y85-V105 HydrophobicContact CG-CG2 4.39Å; I87-V105 HydrophobicContact CG2-CG2 3.95Å; K101-V105 WeakPolarHBondContact O-CG2 2.91Å; K101-V105 PolarHBondContact O-N 3.31Å; V102-V105 PolarHBondContact O-N 3.14Å; L103-V105 VanDerWaalsContact C-N 3.34Å; L103-V105 PolarHBondContact O-N 2.72Å; V105-K107 VanDerWaalsContact C-N 3.29Å; V105-K107 PolarHBondContact O-N 2.69Å; V105-R108 PolarHBondContact O-N 2.95Å; V105-S109 VanDerWaalsContact O-CB 3.27Å; V105-S109 WeakPolarHBondContact O-CB 3.27Å; V105-S109 PolarHBondContact O-N 3.04Å; V105-S109 PolarHBondContact O-OG 2.91Å
106	A	98.1	Very high	97.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-44.5	178.7	0	0	0	0	0	111.2	L42 V102 L103 S109 G110 S111 V114 I136	L42-A106 HydrophobicContact CD1-CB 4.03Å; V102-A106 WeakPolarHBondContact O-CB 3.39Å; V102-A106 PolarHBondContact O-N 3.36Å; L103-A106 PolarHBondContact O-N 2.85Å; A106-S109 PolarHBondContact O-OG 3.4Å; A106-S109 VanDerWaalsContact O-OG 3.14Å; A106-G110 PolarHBondContact O-N 3.37Å; A106-S111 PolarHBondContact O-N 3.18Å; A106-V114 HydrophobicContact CB-CG2 3.96Å; A106-I136 HydrophobicContact CB-CD1 3.72Å
107	K	97.9	Very high	97.9	Very high	103 Å²	103	45.2 Å²	45.2	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-50.7	174.1	-69.2	177.1	178.5	-177.3	0	112.4	L103 E104 V105 S109 G110 E134 I136	L103-K107 WeakPolarHBondContact O-CG 3.41Å; L103-K107 PolarHBondContact O-N 3.27Å; E104-K107 PolarHBondContact O-N 2.88Å; V105-K107 VanDerWaalsContact C-N 3.29Å; V105-K107 PolarHBondContact O-N 2.69Å; K107-S109 VanDerWaalsContact C-N 3.31Å; K107-S109 PolarHBondContact O-N 3.47Å; K107-G110 PolarHBondContact O-N 2.9Å; K107-E134 WeakPolarHBondContact CE-OE2 3.35Å; K107-E134 IonicContact NZ-OE1 2.57Å; K107-E134 PolarHBondContact NZ-OE1 3.39Å; K107-E134 IonicContact NZ-OE2 3.09Å; K107-E134 PolarHBondContact NZ-OE2 3.48Å; K107-I136 HydrophobicContact CG-CD1 4.15Å
108	R	98	Very high	97.9	Very high	184 Å²	184	43.5 Å²	43.5	69%	0.694	21%	0.211	S	C	*	.	H	α-helix	trans	-63.2	-36.2	-175.9	-177.5	178.5	172.8	-166.5	-3.1	112.8	Y85 E104 V105 G110	Y85-R108 HydrophobicContact CE1-CG 4.44Å; E104-R108 VanDerWaalsContact O-CB 3.28Å; E104-R108 WeakPolarHBondContact O-CB 3.27Å; E104-R108 PolarHBondContact O-N 3.21Å; V105-R108 PolarHBondContact O-N 2.95Å; R108-G110 VanDerWaalsContact C-N 3.28Å
109	S	97.8	Very high	97.7	Very high	9 Å²	9	43.8 Å²	43.8	6%	0.063	22%	0.217	C	C	.	.	H	α-helix	trans	-78.6	-12.1	177	61.5	0	0	0	0	113.2	K40 V105 A106 K107 S111	K40-S109 WeakPolarHBondContact CD-O 3.35Å; K40-S109 PolarHBondContact NZ-O 2.93Å; V105-S109 VanDerWaalsContact O-CB 3.27Å; V105-S109 WeakPolarHBondContact O-CB 3.27Å; V105-S109 PolarHBondContact O-N 3.04Å; V105-S109 PolarHBondContact O-OG 2.91Å; A106-S109 PolarHBondContact O-OG 3.4Å; A106-S109 VanDerWaalsContact O-OG 3.14Å; K107-S109 VanDerWaalsContact C-N 3.31Å; K107-S109 PolarHBondContact O-N 3.47Å; S109-S111 VanDerWaalsContact C-N 3.32Å; S109-S111 PolarHBondContact OG-OG 3.42Å
110	G	96.9	Very high	97.6	Very high	43 Å²	43	42.7 Å²	42.7	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	34.9	-172.8	0	0	0	0	0	112.4	A106 K107 R108	A106-G110 PolarHBondContact O-N 3.37Å; K107-G110 PolarHBondContact O-N 2.9Å; R108-G110 VanDerWaalsContact C-N 3.28Å
111	S	97.9	Very high	97.6	Very high	8 Å²	8	35.4 Å²	35.4	6%	0.056	18%	0.177	C	C	.	.			trans	-73.4	130.1	177.2	-66.4	0	0	0	0	110.1	A106 S109 A113	A106-S111 PolarHBondContact O-N 3.18Å; S109-S111 VanDerWaalsContact C-N 3.32Å; S109-S111 PolarHBondContact OG-OG 3.42Å; S111-A113 VanDerWaalsContact C-N 3.33Å
112	H	97.9	Very high	97.5	Very high	78 Å²	78	32.5 Å²	32.5	36%	0.361	16%	0.164	S	C	.	.	S	Bend	trans	-77.1	-26.6	178	-55.5	136.7	0	0	0	112.1	E39 K40 I137	E39-H112 PolarHBondContact N-ND1 2.86Å; K40-H112 PolarHBondContact O-N 2.98Å; H112-I137 PolarHBondContact O-N 3.09Å
113	A	98.3	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.8	-174.5	0	0	0	0	0	111.6	I38 V41 L42 S111 I137 I139	I38-A113 HydrophobicContact CD1-CB 4.01Å; I38-A113 HydrophobicContact CG1-CB 4.32Å; I38-A113 HydrophobicContact CG2-CB 3.94Å; V41-A113 WeakPolarHBondContact CA-O 3.4Å; V41-A113 HydrophobicContact CG2-CB 4.31Å; L42-A113 PolarHBondContact N-O 2.86Å; S111-A113 VanDerWaalsContact C-N 3.33Å; A113-I137 CarbonylContact C-O 3.56Å; A113-I137 WeakPolarHBondContact CA-O 3.42Å; A113-I137 HydrophobicContact CB-CB 3.84Å; A113-I137 HydrophobicContact CB-CG2 4.35Å; A113-I137 WeakPolarHBondContact CB-O 3.33Å; A113-I139 HydrophobicContact CB-CD1 3.66Å; A113-I139 HydrophobicContact CB-CG1 3.9Å
114	V	98.6	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.5	170.4	172.5	0	0	0	0	108.9	L42 A44 A106 F127 I136 I137 I139	L42-V114 HydrophobicContact CB-CG2 4.17Å; L42-V114 HydrophobicContact CD2-CG1 4.12Å; L42-V114 HydrophobicContact CD2-CG2 4.11Å; L42-V114 CarbonylContact O-C 3.23Å; L42-V114 VanDerWaalsContact O-CA 3.29Å; L42-V114 WeakPolarHBondContact O-CA 3.37Å; A44-V114 HydrophobicContact CB-CG1 3.62Å; A106-V114 HydrophobicContact CB-CG2 3.96Å; V114-F127 HydrophobicContact CG1-CE1 4.02Å; V114-F127 HydrophobicContact CG1-CZ 4.05Å; V114-I136 HydrophobicContact CB-CG2 4.37Å; V114-I136 HydrophobicContact CG2-CG2 3.7Å; V114-I137 PolarHBondContact N-O 2.71Å; V114-I139 PolarHBondContact O-N 3Å
115	H	98.8	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.5	168.5	-165	-67.6	0	0	0	109.3	V41 L42 I43 A44 V53 G117 I139 Q348	V41-H115 HydrophobicContact CG2-CB 3.94Å; L42-H115 PolarHBondContact O-N 3.31Å; I43-H115 WeakPolarHBondContact CA-O 3.24Å; A44-H115 PolarHBondContact N-O 2.73Å; V53-H115 HydrophobicContact CG1-CB 4.01Å; V53-H115 VanDerWaalsContact CG2-CE1 3.46Å; V53-H115 WeakPolarHBondContact CG2-CE1 3.4Å; V53-H115 WeakPolarHBondContact CG2-ND1 3.24Å; H115-G117 VanDerWaalsContact C-N 3.34Å; H115-G117 PolarHBondContact ND1-N 3.14Å; H115-I139 HydrophobicContact CB-CB 4.47Å; H115-I139 HydrophobicContact CB-CD1 3.91Å; H115-Q348 PolarHBondContact NE2-OE1 2.98Å
116	P	98.1	Very high	97	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.032	19%	0.188	C	C	.	.			trans	-80.5	-16.1	-176.3	34.5	-38	0	0	0	113.2	N45 Y118 F138 I139	N45-P116 PolarHBondContact ND2-O 3.48Å; P116-Y118 PolarHBondContact O-N 3.35Å; P116-F138 HydrophobicContact CB-CE2 4.04Å; P116-F138 HydrophobicContact CB-CZ 4.41Å; P116-F138 HydrophobicContact CG-CE2 3.74Å; P116-F138 HydrophobicContact CG-CZ 3.79Å; P116-I139 WeakPolarHBondContact CD-O 3.49Å
117	G	97.4	Very high	97	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	19%	0.188	C	C	.	.			trans	68.7	-125.8	-172.4	0	0	0	0	0	110	H115	H115-G117 VanDerWaalsContact C-N 3.34Å; H115-G117 PolarHBondContact ND1-N 3.14Å
118	Y	96.1	Very high	97	Very high	32 Å²	32	32.9 Å²	32.9	13%	0.125	17%	0.169	C	C	.	.	S	Bend	trans	-134.3	155.6	174	54.6	-114.4	0	0	0	111.3	N45 E48 I49 P116 L329 V331	N45-Y118 PolarHBondContact ND2-N 3.35Å; N45-Y118 PolarHBondContact ND2-O 3.43Å; E48-Y118 VanDerWaalsContact CD-OH 3.32Å; E48-Y118 PolarHBondContact OE1-OH 3.18Å; I49-Y118 HydrophobicContact CB-CD1 4.13Å; I49-Y118 HydrophobicContact CB-CE1 3.43Å; I49-Y118 VanDerWaalsContact CB-CE1 3.43Å; I49-Y118 HydrophobicContact CB-CE2 4.24Å; I49-Y118 VanDerWaalsContact CB-CZ 3.47Å; I49-Y118 WeakPolarHBondContact CB-OH 3.3Å; I49-Y118 HydrophobicContact CD1-CD1 3.81Å; I49-Y118 HydrophobicContact CD1-CE1 3.6Å; I49-Y118 HydrophobicContact CG1-CD1 3.69Å; I49-Y118 HydrophobicContact CG1-CE1 3.47Å; I49-Y118 VanDerWaalsContact CG1-CE1 3.47Å; I49-Y118 HydrophobicContact CG1-CG 4.4Å; I49-Y118 HydrophobicContact CG2-CE1 4.09Å; I49-Y118 HydrophobicContact CG2-CE2 3.98Å; P116-Y118 PolarHBondContact O-N 3.35Å; Y118-L329 WeakPolarHBondContact CB-O 3.46Å; Y118-V331 HydrophobicContact CD1-CG2 3.97Å; Y118-V331 HydrophobicContact CD2-CG2 3.86Å; Y118-V331 HydrophobicContact CE1-CB 4.23Å; Y118-V331 HydrophobicContact CE1-CG1 4.31Å; Y118-V331 HydrophobicContact CE1-CG2 3.91Å; Y118-V331 HydrophobicContact CE2-CG2 3.84Å; Y118-V331 HydrophobicContact CG-CG2 3.97Å
119	G	93.5	Very high	97	Very high	29 Å²	29	26.7 Å²	26.7	30%	0.299	15%	0.149	S	C	.	.	S	Bend	trans	63.4	-168.7	-170.3	0	0	0	0	0	112	L121 S122	G119-L121 PolarHBondContact O-N 3.13Å; G119-L121 VanDerWaalsContact O-N 3.1Å; G119-S122 PolarHBondContact N-OG 3.28Å; G119-S122 WeakPolarHBondContact O-CB 3.46Å; G119-S122 PolarHBondContact O-N 3.43Å; G119-S122 PolarHBondContact O-OG 2.98Å
120	F	95.8	Very high	97	Very high	43 Å²	43	27.2 Å²	27.2	19%	0.189	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-116	-174.2	-59.6	-67.1	0	0	0	112.5	N45 R46 S92 Y96 L97	N45-F120 WeakPolarHBondContact OD1-CD2 3.44Å; N45-F120 VanDerWaalsContact OD1-CE2 3.29Å; N45-F120 WeakPolarHBondContact OD1-CE2 3.31Å; R46-F120 HydrophobicContact CG-CE2 4.02Å; R46-F120 HydrophobicContact CG-CZ 4.23Å; S92-F120 WeakPolarHBondContact OG-CE1 3.48Å; Y96-F120 HydrophobicContact CD2-CE1 4.39Å; Y96-F120 HydrophobicContact CD2-CZ 4.33Å; Y96-F120 HydrophobicContact CG-CE1 4.23Å; Y96-F120 HydrophobicContact CG-CZ 4.27Å; L97-F120 HydrophobicContact CD2-CB 4.13Å; L97-F120 HydrophobicContact CD2-CD1 4.09Å; L97-F120 HydrophobicContact CG-CD1 4.1Å
121	L	96.7	Very high	97	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.1	-175.3	-61.4	174.9	0	0	0	113.4	L97 M99 V102 G119 E123 N124 F127	L97-L121 HydrophobicContact CD2-CD2 4.37Å; M99-L121 HydrophobicContact CG-CD1 4.23Å; M99-L121 HydrophobicContact CG-CD2 3.7Å; V102-L121 HydrophobicContact CB-CD1 4.43Å; V102-L121 HydrophobicContact CG2-CD1 4.14Å; G119-L121 PolarHBondContact O-N 3.13Å; G119-L121 VanDerWaalsContact O-N 3.1Å; L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 PolarHBondContact O-N 3.46Å; L121-N124 HydrophobicContact CD2-CB 4.25Å; L121-N124 PolarHBondContact O-N 3.02Å; L121-F127 HydrophobicContact CB-CB 4.44Å; L121-F127 HydrophobicContact CB-CD1 3.67Å; L121-F127 HydrophobicContact CB-CE1 4.03Å; L121-F127 HydrophobicContact CB-CG 3.99Å; L121-F127 HydrophobicContact CD1-CD1 4.23Å; L121-F127 HydrophobicContact CD1-CD2 3.83Å; L121-F127 HydrophobicContact CD1-CE1 4.19Å; L121-F127 HydrophobicContact CD1-CE2 3.77Å; L121-F127 HydrophobicContact CD1-CG 4.05Å; L121-F127 HydrophobicContact CD1-CZ 3.96Å; L121-F127 HydrophobicContact CD2-CB 4.49Å; L121-F127 HydrophobicContact CG-CD1 4.49Å; L121-F127 HydrophobicContact CG-CG 4.41Å
122	S	96.6	Very high	96.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.6	-174.3	65.3	0	0	0	0	115	G119 R328	G119-S122 PolarHBondContact N-OG 3.28Å; G119-S122 WeakPolarHBondContact O-CB 3.46Å; G119-S122 PolarHBondContact O-N 3.43Å; G119-S122 PolarHBondContact O-OG 2.98Å; S122-R328 WeakPolarHBondContact OG-CD 3.21Å
123	E	94.3	Very high	96.8	Very high	72 Å²	72	34.7 Å²	34.7	34%	0.336	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	21.8	-178.9	-59.1	179.7	110.3	0	0	110.6	L121 I146 T327 R328	L121-E123 VanDerWaalsContact C-N 3.26Å; L121-E123 PolarHBondContact O-N 3.46Å; E123-I146 WeakPolarHBondContact O-CG2 3.21Å; E123-T327 PolarHBondContact OE1-N 2.84Å; E123-R328 VanDerWaalsContact CD-NE 3.32Å; E123-R328 HydrophobicContact CG-CB 4.25Å; E123-R328 HydrophobicContact CG-CG 4.03Å; E123-R328 IonicContact OE1-NE 3.82Å; E123-R328 WeakPolarHBondContact OE2-CD 3.39Å; E123-R328 IonicContact OE2-CZ 3.42Å; E123-R328 IonicContact OE2-NE 2.75Å; E123-R328 PolarHBondContact OE2-NE 2.83Å
124	N	95.3	Very high	96.6	Very high	44 Å²	44	39 Å²	39	24%	0.235	19%	0.194	C	C	.	.			trans	-91.3	113.7	178.2	-174.1	-75.4	0	0	0	109.9	M99 L121 E126 F127 A128	M99-N124 PolarHBondContact SD-OD1 3.22Å; L121-N124 HydrophobicContact CD2-CB 4.25Å; L121-N124 PolarHBondContact O-N 3.02Å; N124-E126 PolarHBondContact O-N 3.28Å; N124-E126 WeakPolarHBondContact OD1-CB 3.26Å; N124-E126 PolarHBondContact OD1-N 2.89Å; N124-E126 PolarHBondContact OD1-OE2 2.97Å; N124-F127 HydrophobicContact CB-CB 3.97Å; N124-F127 PolarHBondContact O-N 2.94Å; N124-F127 WeakPolarHBondContact OD1-CB 3.42Å; N124-F127 PolarHBondContact OD1-N 3.4Å; N124-A128 PolarHBondContact O-N 3.16Å
125	T	96.3	Very high	96.4	Very high	16 Å²	16	42.2 Å²	42.2	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-42.8	-176.4	-65.8	0	0	0	0	111.4	F127 A128 E129 I146 R147	T125-F127 VanDerWaalsContact C-N 3.33Å; T125-F127 PolarHBondContact O-N 3Å; T125-A128 PolarHBondContact O-N 2.84Å; T125-E129 PolarHBondContact O-N 3.48Å; T125-E129 VanDerWaalsContact O-N 3.1Å; T125-I146 WeakPolarHBondContact OG1-CG2 3.17Å; T125-R147 HydrophobicContact CG2-CB 4.11Å
126	E	97.6	Very high	96.4	Very high	116 Å²	116	42.8 Å²	42.8	54%	0.542	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-38.4	-177.5	-63.7	70	-153.4	0	0	111.3	M99 N124 E129 A130	M99-E126 HydrophobicContact CE-CB 4.44Å; M99-E126 HydrophobicContact SD-CB 4.15Å; N124-E126 PolarHBondContact O-N 3.28Å; N124-E126 WeakPolarHBondContact OD1-CB 3.26Å; N124-E126 PolarHBondContact OD1-N 2.89Å; N124-E126 PolarHBondContact OD1-OE2 2.97Å; E126-E129 PolarHBondContact O-N 2.9Å; E126-A130 VanDerWaalsContact O-CB 3.29Å; E126-A130 WeakPolarHBondContact O-CB 3.48Å; E126-A130 PolarHBondContact O-N 3.49Å
127	F	97.9	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-44.1	178.1	-176.4	-112.3	0	0	0	112.3	M99 V102 L103 V114 L121 N124 T125 E129 A130 C131 F138	M99-F127 HydrophobicContact CB-CD2 3.87Å; M99-F127 HydrophobicContact CB-CE2 4.49Å; M99-F127 HydrophobicContact CG-CB 4.03Å; M99-F127 HydrophobicContact CG-CD2 3.7Å; M99-F127 HydrophobicContact CG-CG 4.24Å; M99-F127 HydrophobicContact SD-CB 3.73Å; M99-F127 HydrophobicContact SD-CD2 4.33Å; V102-F127 HydrophobicContact CB-CE2 4.2Å; V102-F127 HydrophobicContact CB-CZ 4.38Å; V102-F127 HydrophobicContact CG1-CE2 3.97Å; V102-F127 HydrophobicContact CG1-CZ 3.67Å; L103-F127 HydrophobicContact CD2-CE2 4.1Å; L103-F127 HydrophobicContact CG-CD2 4.46Å; L103-F127 HydrophobicContact CG-CE2 3.93Å; V114-F127 HydrophobicContact CG1-CE1 4.02Å; V114-F127 HydrophobicContact CG1-CZ 4.05Å; L121-F127 HydrophobicContact CB-CB 4.44Å; L121-F127 HydrophobicContact CB-CD1 3.67Å; L121-F127 HydrophobicContact CB-CE1 4.03Å; L121-F127 HydrophobicContact CB-CG 3.99Å; L121-F127 HydrophobicContact CD1-CD1 4.23Å; L121-F127 HydrophobicContact CD1-CD2 3.83Å; L121-F127 HydrophobicContact CD1-CE1 4.19Å; L121-F127 HydrophobicContact CD1-CE2 3.77Å; L121-F127 HydrophobicContact CD1-CG 4.05Å; L121-F127 HydrophobicContact CD1-CZ 3.96Å; L121-F127 HydrophobicContact CD2-CB 4.49Å; L121-F127 HydrophobicContact CG-CD1 4.49Å; L121-F127 HydrophobicContact CG-CG 4.41Å; N124-F127 HydrophobicContact CB-CB 3.97Å; N124-F127 PolarHBondContact O-N 2.94Å; N124-F127 WeakPolarHBondContact OD1-CB 3.42Å; N124-F127 PolarHBondContact OD1-N 3.4Å; T125-F127 VanDerWaalsContact C-N 3.33Å; T125-F127 PolarHBondContact O-N 3Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 2.88Å; F127-A130 PolarHBondContact O-N 3.07Å; F127-C131 PolarHBondContact O-N 3.29Å; F127-C131 PolarHBondContact O-SG 3.24Å; F127-F138 HydrophobicContact CD1-CD2 4.24Å; F127-F138 AromaticContact CD1-CE2 3.97Å; F127-F138 HydrophobicContact CD1-CE2 3.97Å; F127-F138 HydrophobicContact CE1-CD2 4.26Å; F127-F138 HydrophobicContact CE1-CE2 4.18Å
128	A	97.6	Very high	96.4	Very high	6 Å²	6	46 Å²	46	5%	0.05	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-40.2	176	0	0	0	0	0	111.4	N124 T125 K132 F138 I146	N124-A128 PolarHBondContact O-N 3.16Å; T125-A128 PolarHBondContact O-N 2.84Å; A128-K132 PolarHBondContact O-N 3.37Å; A128-F138 HydrophobicContact CB-CD1 3.93Å; A128-F138 HydrophobicContact CB-CD2 4.25Å; A128-F138 HydrophobicContact CB-CE1 4.05Å; A128-F138 HydrophobicContact CB-CE2 4.37Å; A128-F138 HydrophobicContact CB-CG 4.02Å; A128-F138 HydrophobicContact CB-CZ 4.27Å; A128-I146 HydrophobicContact CB-CD1 3.89Å
129	E	97.6	Very high	96.5	Very high	55 Å²	55	44.6 Å²	44.6	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-67.5	-42.5	175.4	-167.4	60.6	-146	0	0	111.9	T125 E126 F127 C131 K132 Q133 S143	T125-E129 PolarHBondContact O-N 3.48Å; T125-E129 VanDerWaalsContact O-N 3.1Å; E126-E129 PolarHBondContact O-N 2.9Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 2.88Å; E129-C131 PolarHBondContact O-N 2.94Å; E129-K132 WeakPolarHBondContact O-CB 3.36Å; E129-K132 PolarHBondContact O-N 3.29Å; E129-Q133 WeakPolarHBondContact O-CG 3.32Å; E129-Q133 PolarHBondContact O-N 3.21Å; E129-S143 PolarHBondContact OE2-OG 3.22Å
130	A	97.6	Very high	96.6	Very high	19 Å²	19	43.8 Å²	43.8	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-40.6	177	0	0	0	0	0	111.9	L103 E126 F127 K132 Q133 E134	L103-A130 HydrophobicContact CD1-CB 3.64Å; E126-A130 VanDerWaalsContact O-CB 3.29Å; E126-A130 WeakPolarHBondContact O-CB 3.48Å; E126-A130 PolarHBondContact O-N 3.49Å; F127-A130 PolarHBondContact O-N 3.07Å; A130-K132 VanDerWaalsContact C-N 3.3Å; A130-K132 PolarHBondContact O-N 3.15Å; A130-Q133 PolarHBondContact O-N 2.92Å; A130-E134 WeakPolarHBondContact O-CB 3.41Å; A130-E134 VanDerWaalsContact O-CG 3.22Å; A130-E134 WeakPolarHBondContact O-CG 3.19Å; A130-E134 PolarHBondContact O-N 2.96Å; A130-E134 VanDerWaalsContact O-N 3.09Å
131	C	97.6	Very high	96.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.7	-47.4	172.7	-69.7	0	0	0	0	111.1	F127 E129 E134 G135 I136 F138	F127-C131 PolarHBondContact O-N 3.29Å; F127-C131 PolarHBondContact O-SG 3.24Å; E129-C131 PolarHBondContact O-N 2.94Å; C131-E134 CarbonylContact O-C 3.42Å; C131-E134 PolarHBondContact O-N 2.94Å; C131-G135 PolarHBondContact O-N 3.34Å; C131-I136 CarbonylContact C-O 3.57Å; C131-I136 VanDerWaalsContact C-O 3.23Å; C131-I136 HydrophobicContact CB-CB 4.38Å; C131-I136 WeakPolarHBondContact CB-O 3.31Å; C131-I136 PolarHBondContact O-N 2.78Å; C131-F138 HydrophobicContact CB-CB 4.08Å
132	K	94.6	Very high	96.7	Very high	146 Å²	146	43.9 Å²	43.9	64%	0.635	24%	0.236	S	C	*	.	H	α-helix	trans	-62.4	-43.6	179	-177.5	-177	176.7	-173.1	0	112.6	A128 E129 A130 E134 G135	A128-K132 PolarHBondContact O-N 3.37Å; E129-K132 WeakPolarHBondContact O-CB 3.36Å; E129-K132 PolarHBondContact O-N 3.29Å; A130-K132 VanDerWaalsContact C-N 3.3Å; A130-K132 PolarHBondContact O-N 3.15Å; K132-E134 PolarHBondContact O-N 3.41Å; K132-G135 PolarHBondContact O-N 3.43Å; K132-G135 VanDerWaalsContact O-N 3.13Å
133	Q	96	Very high	96.7	Very high	141 Å²	141	44.8 Å²	44.8	66%	0.659	24%	0.242	S	C	*	.	H	α-helix	trans	-60.6	-31.3	177.1	-71.8	172.5	5.6	0	0	112.2	E129 A130 G135	E129-Q133 WeakPolarHBondContact O-CG 3.32Å; E129-Q133 PolarHBondContact O-N 3.21Å; A130-Q133 PolarHBondContact O-N 2.92Å; Q133-G135 VanDerWaalsContact C-N 3.35Å
134	E	95.5	Very high	96.8	Very high	91 Å²	91	44.1 Å²	44.1	43%	0.425	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.6	-179.9	-60.9	-65.8	-165.9	0	0	113.6	K107 A130 C131 K132 I136	K107-E134 WeakPolarHBondContact CE-OE2 3.35Å; K107-E134 IonicContact NZ-OE1 2.57Å; K107-E134 PolarHBondContact NZ-OE1 3.39Å; K107-E134 IonicContact NZ-OE2 3.09Å; K107-E134 PolarHBondContact NZ-OE2 3.48Å; A130-E134 WeakPolarHBondContact O-CB 3.41Å; A130-E134 VanDerWaalsContact O-CG 3.22Å; A130-E134 WeakPolarHBondContact O-CG 3.19Å; A130-E134 PolarHBondContact O-N 2.96Å; A130-E134 VanDerWaalsContact O-N 3.09Å; C131-E134 CarbonylContact O-C 3.42Å; C131-E134 PolarHBondContact O-N 2.94Å; K132-E134 PolarHBondContact O-N 3.41Å; E134-I136 HydrophobicContact CB-CD1 4.06Å; E134-I136 HydrophobicContact CB-CG1 4.4Å; E134-I136 PolarHBondContact O-N 2.67Å
135	G	94.7	Very high	96.9	Very high	67 Å²	67	42 Å²	42	69%	0.691	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	19.6	-179.4	0	0	0	0	0	114.2	C131 K132 Q133	C131-G135 PolarHBondContact O-N 3.34Å; K132-G135 PolarHBondContact O-N 3.43Å; K132-G135 VanDerWaalsContact O-N 3.13Å; Q133-G135 VanDerWaalsContact C-N 3.35Å
136	I	97.3	Very high	96.9	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.056	23%	0.231	C	C	.	.			trans	-99.4	128.2	178.3	-62.6	163.4	0	0	0	108.7	L103 A106 K107 V114 C131 E134 F138	L103-I136 HydrophobicContact CD2-CD1 4.26Å; A106-I136 HydrophobicContact CB-CD1 3.72Å; K107-I136 HydrophobicContact CG-CD1 4.15Å; V114-I136 HydrophobicContact CB-CG2 4.37Å; V114-I136 HydrophobicContact CG2-CG2 3.7Å; C131-I136 CarbonylContact C-O 3.57Å; C131-I136 VanDerWaalsContact C-O 3.23Å; C131-I136 HydrophobicContact CB-CB 4.38Å; C131-I136 WeakPolarHBondContact CB-O 3.31Å; C131-I136 PolarHBondContact O-N 2.78Å; E134-I136 HydrophobicContact CB-CD1 4.06Å; E134-I136 HydrophobicContact CB-CG1 4.4Å; E134-I136 PolarHBondContact O-N 2.67Å; I136-F138 PolarHBondContact O-N 3.42Å
137	I	97.9	Very high	96.7	Very high	50 Å²	50	42.5 Å²	42.5	26%	0.256	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.9	179.1	-60.9	167.8	0	0	0	109.4	I38 H112 A113 V114 I139 A352	I38-I137 HydrophobicContact CD1-CD1 4.32Å; I38-I137 HydrophobicContact CG1-CD1 4.09Å; H112-I137 PolarHBondContact O-N 3.09Å; A113-I137 CarbonylContact C-O 3.56Å; A113-I137 WeakPolarHBondContact CA-O 3.42Å; A113-I137 HydrophobicContact CB-CB 3.84Å; A113-I137 HydrophobicContact CB-CG2 4.35Å; A113-I137 WeakPolarHBondContact CB-O 3.33Å; V114-I137 PolarHBondContact N-O 2.71Å; I137-I139 PolarHBondContact O-N 2.97Å; I137-A352 HydrophobicContact CG2-CB 3.88Å
138	F	98.1	Very high	96.6	Very high	25 Å²	25	45 Å²	45	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.3	167.7	180	-101.5	0	0	0	109.5	P116 F127 A128 C131 I136 G140 I146	P116-F138 HydrophobicContact CB-CE2 4.04Å; P116-F138 HydrophobicContact CB-CZ 4.41Å; P116-F138 HydrophobicContact CG-CE2 3.74Å; P116-F138 HydrophobicContact CG-CZ 3.79Å; F127-F138 HydrophobicContact CD1-CD2 4.24Å; F127-F138 AromaticContact CD1-CE2 3.97Å; F127-F138 HydrophobicContact CD1-CE2 3.97Å; F127-F138 HydrophobicContact CE1-CD2 4.26Å; F127-F138 HydrophobicContact CE1-CE2 4.18Å; A128-F138 HydrophobicContact CB-CD1 3.93Å; A128-F138 HydrophobicContact CB-CD2 4.25Å; A128-F138 HydrophobicContact CB-CE1 4.05Å; A128-F138 HydrophobicContact CB-CE2 4.37Å; A128-F138 HydrophobicContact CB-CG 4.02Å; A128-F138 HydrophobicContact CB-CZ 4.27Å; C131-F138 HydrophobicContact CB-CB 4.08Å; I136-F138 PolarHBondContact O-N 3.42Å; F138-G140 VanDerWaalsContact C-N 3.34Å; F138-G140 PolarHBondContact O-N 2.86Å; F138-I146 HydrophobicContact CE1-CD1 3.92Å; F138-I146 HydrophobicContact CZ-CD1 4.3Å
139	I	98.4	Very high	96.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-81.8	85.2	179.7	-58.6	162.8	0	0	0	108.9	V41 A113 V114 H115 P116 I137 Q348 L349 A352	V41-I139 HydrophobicContact CG2-CD1 3.53Å; A113-I139 HydrophobicContact CB-CD1 3.66Å; A113-I139 HydrophobicContact CB-CG1 3.9Å; V114-I139 PolarHBondContact O-N 3Å; H115-I139 HydrophobicContact CB-CB 4.47Å; H115-I139 HydrophobicContact CB-CD1 3.91Å; P116-I139 WeakPolarHBondContact CD-O 3.49Å; I137-I139 PolarHBondContact O-N 2.97Å; I139-Q348 HydrophobicContact CG2-CB 3.7Å; I139-L349 HydrophobicContact CD1-CD2 3.64Å; I139-A352 HydrophobicContact CB-CB 4.27Å; I139-A352 HydrophobicContact CG1-CB 3.78Å; I139-A352 HydrophobicContact CG2-CB 4.1Å
140	G	96.5	Very high	95.8	Very high	13 Å²	13	45.7 Å²	45.7	13%	0.134	26%	0.263	C	S	.	.	S	Bend	trans	174.3	-169.9	-177.3	0	0	0	0	0	111.3	F138 V305	F138-G140 VanDerWaalsContact C-N 3.34Å; F138-G140 PolarHBondContact O-N 2.86Å; G140-V305 CarbonylContact C-O 3.45Å
141	P	97.3	Very high	95	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.013	28%	0.275	C	S	.	.	S	Bend	trans	-67.8	159.1	176.8	26.9	-32.9	0	0	0	112.2	A145 I146 Y304 V305 T327	P141-A145 HydrophobicContact CB-CB 4.2Å; P141-I146 HydrophobicContact CB-CG1 4.43Å; P141-I146 HydrophobicContact CG-CD1 4.25Å; P141-I146 HydrophobicContact CG-CG1 3.78Å; P141-Y304 HydrophobicContact CB-CD2 3.95Å; P141-Y304 HydrophobicContact CB-CE1 4.17Å; P141-Y304 HydrophobicContact CB-CE2 3.55Å; P141-Y304 HydrophobicContact CB-CG 4.42Å; P141-Y304 HydrophobicContact CG-CE1 4.49Å; P141-Y304 HydrophobicContact CG-CE2 3.81Å; P141-V305 WeakPolarHBondContact CA-O 3.48Å; P141-V305 VanDerWaalsContact N-O 3.15Å; P141-T327 WeakPolarHBondContact CD-O 3.46Å; P141-T327 WeakPolarHBondContact CG-O 3.34Å
142	P	96.6	Very high	94.2	Very high	46 Å²	46	51.3 Å²	51.3	30%	0.299	29%	0.287	S	S	.	.			trans	-64	153.4	175.4	27.5	-34.4	0	0	0	111.7	S144 A145 I146	P142-S144 PolarHBondContact O-N 3.39Å; P142-S144 VanDerWaalsContact O-N 3.11Å; P142-A145 HydrophobicContact CG-CB 3.86Å; P142-A145 PolarHBondContact O-N 3.41Å; P142-I146 PolarHBondContact O-N 3.33Å; P142-I146 VanDerWaalsContact O-N 3.15Å
143	S	96.7	Very high	93.5	Very high	19 Å²	19	45.9 Å²	45.9	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-53.8	-33.1	179.2	56.7	0	0	0	0	113.1	E129 R147	E129-S143 PolarHBondContact OE2-OG 3.22Å; S143-R147 WeakPolarHBondContact O-CB 3.36Å; S143-R147 PolarHBondContact O-N 2.94Å
144	S	96.6	Very high	93	Very high	58 Å²	58	41.6 Å²	41.6	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-46.8	173.7	56.7	0	0	0	0	112.7	P142 I146 R147 D148	P142-S144 PolarHBondContact O-N 3.39Å; P142-S144 VanDerWaalsContact O-N 3.11Å; S144-I146 PolarHBondContact O-N 2.9Å; S144-R147 PolarHBondContact O-N 3.34Å; S144-D148 WeakPolarHBondContact O-CB 3.46Å; S144-D148 PolarHBondContact O-N 3.37Å
145	A	96.6	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-38.7	-179.7	0	0	0	0	0	111.8	P141 P142 D148 M149 V302 Y304	P141-A145 HydrophobicContact CB-CB 4.2Å; P142-A145 HydrophobicContact CG-CB 3.86Å; P142-A145 PolarHBondContact O-N 3.41Å; A145-D148 PolarHBondContact O-N 3.45Å; A145-M149 WeakPolarHBondContact O-CB 3.48Å; A145-M149 WeakPolarHBondContact O-CG 3.38Å; A145-M149 PolarHBondContact O-N 3.38Å; A145-M149 VanDerWaalsContact O-N 3.11Å; A145-V302 HydrophobicContact CB-CB 4.19Å; A145-V302 HydrophobicContact CB-CG2 4.14Å; A145-Y304 HydrophobicContact CB-CD2 4.18Å
146	I	96.3	Very high	92.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-48.3	173.8	-62.6	166.5	0	0	0	110	E123 T125 A128 F138 P141 P142 S144 G150	E123-I146 WeakPolarHBondContact O-CG2 3.21Å; T125-I146 WeakPolarHBondContact OG1-CG2 3.17Å; A128-I146 HydrophobicContact CB-CD1 3.89Å; F138-I146 HydrophobicContact CE1-CD1 3.92Å; F138-I146 HydrophobicContact CZ-CD1 4.3Å; P141-I146 HydrophobicContact CB-CG1 4.43Å; P141-I146 HydrophobicContact CG-CD1 4.25Å; P141-I146 HydrophobicContact CG-CG1 3.78Å; P142-I146 PolarHBondContact O-N 3.33Å; P142-I146 VanDerWaalsContact O-N 3.15Å; S144-I146 PolarHBondContact O-N 2.9Å; I146-G150 PolarHBondContact O-N 3.15Å
147	R	94.6	Very high	92	Very high	139 Å²	139	40 Å²	40	53%	0.525	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-48.3	179.1	-174.1	-174	-55.6	-167.2	0.7	112.6	T125 S143 S144 M149 G150	T125-R147 HydrophobicContact CG2-CB 4.11Å; S143-R147 WeakPolarHBondContact O-CB 3.36Å; S143-R147 PolarHBondContact O-N 2.94Å; S144-R147 PolarHBondContact O-N 3.34Å; R147-M149 VanDerWaalsContact C-N 3.26Å; R147-M149 PolarHBondContact O-N 2.98Å; R147-G150 PolarHBondContact O-N 2.95Å
148	D	94.2	Very high	91.8	Very high	52 Å²	52	39.4 Å²	39.4	28%	0.278	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-36.6	-175.8	-71.9	-15.3	0	0	0	111.4	S144 A145 S155 I158 V302	S144-D148 WeakPolarHBondContact O-CB 3.46Å; S144-D148 PolarHBondContact O-N 3.37Å; A145-D148 PolarHBondContact O-N 3.45Å; D148-S155 PolarHBondContact O-N 2.99Å; D148-I158 HydrophobicContact CB-CD1 3.72Å; D148-V302 HydrophobicContact CB-CG1 4.43Å
149	M	92.8	Very high	91.7	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.059	22%	0.217	C	C	.	.	H	α-helix	trans	-85.8	-22.3	178.9	-62.3	-59.6	89.1	0	0	113.9	A145 R147 I151 I158 M159 V302 M325 T327	A145-M149 WeakPolarHBondContact O-CB 3.48Å; A145-M149 WeakPolarHBondContact O-CG 3.38Å; A145-M149 PolarHBondContact O-N 3.38Å; A145-M149 VanDerWaalsContact O-N 3.11Å; R147-M149 VanDerWaalsContact C-N 3.26Å; R147-M149 PolarHBondContact O-N 2.98Å; M149-I151 VanDerWaalsContact C-N 3.29Å; M149-I151 PolarHBondContact O-N 3.03Å; M149-I158 HydrophobicContact CE-CB 4.44Å; M149-I158 HydrophobicContact CE-CD1 3.94Å; M149-M159 HydrophobicContact CE-CE 3.8Å; M149-M159 HydrophobicContact SD-CE 3.68Å; M149-V302 HydrophobicContact CE-CG1 3.48Å; M149-V302 VanDerWaalsContact CE-CG1 3.48Å; M149-V302 HydrophobicContact CG-CG1 4.45Å; M149-V302 HydrophobicContact SD-CG1 4.06Å; M149-M325 HydrophobicContact CB-CB 4.39Å; M149-M325 HydrophobicContact CG-CB 4.05Å; M149-M325 HydrophobicContact CG-CG 4.39Å; M149-M325 HydrophobicContact CG-SD 4.12Å; M149-M325 HydrophobicContact SD-CB 3.86Å; M149-M325 HydrophobicContact SD-SD 4.08Å; M149-T327 HydrophobicContact CB-CG2 3.61Å; M149-T327 HydrophobicContact CG-CG2 3.94Å
150	G	85.7	Confident	91.4	Very high	65 Å²	65	41.3 Å²	41.3	67%	0.67	24%	0.239	S	C	*	.	H	α-helix	trans	-70.8	-19.1	178.8	0	0	0	0	0	114.8	I146 R147	I146-G150 PolarHBondContact O-N 3.15Å; R147-G150 PolarHBondContact O-N 2.95Å
151	I	81.2	Confident	91.3	Very high	81 Å²	81	45.1 Å²	45.1	42%	0.415	27%	0.269	S	S	.	.	S	Bend	trans	-106.1	114.2	178.7	-57	174.3	0	0	0	109.5	M149 S153 T154 S155	M149-I151 VanDerWaalsContact C-N 3.29Å; M149-I151 PolarHBondContact O-N 3.03Å; I151-S153 VanDerWaalsContact C-N 3.35Å; I151-S153 PolarHBondContact O-N 3.11Å; I151-T154 PolarHBondContact O-N 2.89Å; I151-S155 WeakPolarHBondContact O-CB 3.49Å; I151-S155 PolarHBondContact O-N 3.27Å; I151-S155 PolarHBondContact O-OG 3.06Å
152	K	80.8	Confident	91.2	Very high	55 Å²	55	46.2 Å²	46.2	24%	0.239	28%	0.278	C	S	.	.	H	α-helix	trans	-54.1	-42.6	-175.4	-74.6	177.8	172.7	165	0	114.7	S155 K156 G198	K152-S155 WeakPolarHBondContact CA-OG 3.16Å; K152-S155 PolarHBondContact O-OG 3.29Å; K152-S155 VanDerWaalsContact O-OG 3.06Å; K152-K156 WeakPolarHBondContact O-CB 3.06Å; K152-K156 VanDerWaalsContact O-CG 3.3Å; K152-K156 WeakPolarHBondContact O-CG 3.47Å; K152-K156 PolarHBondContact O-N 3.09Å; K152-K156 VanDerWaalsContact O-N 3.17Å; K152-G198 VanDerWaalsContact CE-O 3.27Å; K152-G198 WeakPolarHBondContact CE-O 3.46Å; K152-G198 PolarHBondContact NZ-O 2.96Å
153	S	79.9	Confident	91.2	Very high	33 Å²	33	46.3 Å²	46.3	23%	0.231	29%	0.287	C	S	.	.	H	α-helix	trans	-67.9	-46.9	179.6	51.6	0	0	0	0	111.1	I151 K156 H157	I151-S153 VanDerWaalsContact C-N 3.35Å; I151-S153 PolarHBondContact O-N 3.11Å; S153-K156 PolarHBondContact O-N 3.11Å; S153-H157 PolarHBondContact O-N 3.23Å; S153-H157 VanDerWaalsContact O-N 3.15Å; S153-H157 PolarHBondContact O-ND1 2.74Å
154	T	85.8	Confident	91.2	Very high	50 Å²	50	45.6 Å²	45.6	31%	0.307	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-48.7	176.9	-54.9	0	0	0	0	111.3	I151 K156 H157 I158	I151-T154 PolarHBondContact O-N 2.89Å; T154-K156 VanDerWaalsContact C-N 3.33Å; T154-K156 PolarHBondContact O-N 2.94Å; T154-H157 PolarHBondContact O-N 3.44Å; T154-I158 HydrophobicContact CG2-CD1 3.85Å; T154-I158 WeakPolarHBondContact O-CG1 3.42Å; T154-I158 PolarHBondContact O-N 2.81Å
155	S	89.8	Confident	91.1	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.028	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-43.5	-178.3	68.6	0	0	0	0	111.7	D148 I151 K152 H157 I158 M159	D148-S155 PolarHBondContact O-N 2.99Å; I151-S155 WeakPolarHBondContact O-CB 3.49Å; I151-S155 PolarHBondContact O-N 3.27Å; I151-S155 PolarHBondContact O-OG 3.06Å; K152-S155 WeakPolarHBondContact CA-OG 3.16Å; K152-S155 PolarHBondContact O-OG 3.29Å; K152-S155 VanDerWaalsContact O-OG 3.06Å; S155-H157 PolarHBondContact O-N 3.49Å; S155-I158 PolarHBondContact O-N 3.22Å; S155-M159 WeakPolarHBondContact O-CB 3.46Å; S155-M159 VanDerWaalsContact O-CG 3.24Å; S155-M159 WeakPolarHBondContact O-CG 3.5Å; S155-M159 PolarHBondContact O-N 3.23Å
156	K	87.4	Confident	90.9	Very high	11 Å²	11	47.5 Å²	47.5	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-41	175.9	-76.2	-172.1	167.8	-153	0	114.1	K152 S153 T154 M159 S160 H171 E236	K152-K156 WeakPolarHBondContact O-CB 3.06Å; K152-K156 VanDerWaalsContact O-CG 3.3Å; K152-K156 WeakPolarHBondContact O-CG 3.47Å; K152-K156 PolarHBondContact O-N 3.09Å; K152-K156 VanDerWaalsContact O-N 3.17Å; S153-K156 PolarHBondContact O-N 3.11Å; T154-K156 VanDerWaalsContact C-N 3.33Å; T154-K156 PolarHBondContact O-N 2.94Å; K156-M159 PolarHBondContact O-N 2.89Å; K156-S160 VanDerWaalsContact O-CB 3.3Å; K156-S160 WeakPolarHBondContact O-CB 3.33Å; K156-S160 PolarHBondContact O-N 3.48Å; K156-H171 WeakPolarHBondContact CD-NE2 3.22Å; K156-H171 PolarHBondContact NZ-CE1 2.8Å; K156-H171 PolarHBondContact NZ-NE2 2.83Å; K156-E236 IonicContact NZ-OE1 2.71Å; K156-E236 PolarHBondContact NZ-OE1 3.26Å; K156-E236 IonicContact NZ-OE2 2.7Å; K156-E236 PolarHBondContact NZ-OE2 2.78Å
157	H	88.9	Confident	90.5	Very high	121 Å²	121	47.9 Å²	47.9	56%	0.56	29%	0.292	S	S	*	.	H	α-helix	trans	-63	-45.1	176.5	-77.4	89	0	0	0	111.3	S153 T154 S155 S160 A161	S153-H157 PolarHBondContact O-N 3.23Å; S153-H157 VanDerWaalsContact O-N 3.15Å; S153-H157 PolarHBondContact O-ND1 2.74Å; T154-H157 PolarHBondContact O-N 3.44Å; S155-H157 PolarHBondContact O-N 3.49Å; H157-S160 PolarHBondContact O-N 3.09Å; H157-A161 WeakPolarHBondContact O-CB 3.33Å; H157-A161 PolarHBondContact O-N 3.45Å
158	I	93.9	Very high	90	Very high	38 Å²	38	43.3 Å²	43.3	20%	0.195	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-46.8	177.2	-63.3	168.6	0	0	0	110.4	D148 M149 T154 S155 S160 A161 A162 A301 V302	D148-I158 HydrophobicContact CB-CD1 3.72Å; M149-I158 HydrophobicContact CE-CB 4.44Å; M149-I158 HydrophobicContact CE-CD1 3.94Å; T154-I158 HydrophobicContact CG2-CD1 3.85Å; T154-I158 WeakPolarHBondContact O-CG1 3.42Å; T154-I158 PolarHBondContact O-N 2.81Å; S155-I158 PolarHBondContact O-N 3.22Å; I158-S160 PolarHBondContact O-N 3.29Å; I158-A161 PolarHBondContact O-N 2.86Å; I158-A162 WeakPolarHBondContact O-CB 3.41Å; I158-A162 PolarHBondContact O-N 3.44Å; I158-A301 HydrophobicContact CG2-CB 3.83Å; I158-V302 HydrophobicContact CD1-CG1 4.44Å; I158-V302 HydrophobicContact CG2-CG1 3.89Å
159	M	95.2	Very high	89.7	Confident	0 Å²	0	42 Å²	42	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-42.6	179.5	-71.2	-47.3	115.2	0	0	112.7	M149 S155 K156 A162 G163 V164 I166 A298 V302 F322	M149-M159 HydrophobicContact CE-CE 3.8Å; M149-M159 HydrophobicContact SD-CE 3.68Å; S155-M159 WeakPolarHBondContact O-CB 3.46Å; S155-M159 VanDerWaalsContact O-CG 3.24Å; S155-M159 WeakPolarHBondContact O-CG 3.5Å; S155-M159 PolarHBondContact O-N 3.23Å; K156-M159 PolarHBondContact O-N 2.89Å; M159-A162 CarbonylContact O-C 3.44Å; M159-A162 PolarHBondContact O-N 3.37Å; M159-G163 PolarHBondContact O-N 2.93Å; M159-V164 HydrophobicContact CB-CB 4.08Å; M159-V164 WeakPolarHBondContact O-CB 3.32Å; M159-V164 PolarHBondContact O-N 3.02Å; M159-V164 HydrophobicContact SD-CB 4.38Å; M159-V164 HydrophobicContact SD-CG2 4.02Å; M159-I166 HydrophobicContact CB-CG2 4.05Å; M159-A298 HydrophobicContact CE-CB 4.12Å; M159-A298 HydrophobicContact SD-CB 3.31Å; M159-A298 WeakPolarHBondContact SD-CB 3.37Å; M159-V302 HydrophobicContact CE-CG1 4.26Å; M159-F322 HydrophobicContact CB-CD1 4.1Å; M159-F322 HydrophobicContact CB-CE1 4.31Å; M159-F322 HydrophobicContact CB-CG 4.28Å; M159-F322 HydrophobicContact CG-CD1 3.69Å; M159-F322 HydrophobicContact CG-CD2 3.81Å; M159-F322 HydrophobicContact CG-CE1 3.52Å; M159-F322 HydrophobicContact CG-CE2 3.63Å; M159-F322 HydrophobicContact CG-CG 3.83Å; M159-F322 HydrophobicContact CG-CZ 3.48Å; M159-F322 VanDerWaalsContact CG-CZ 3.48Å; M159-F322 HydrophobicContact SD-CD2 4.22Å; M159-F322 HydrophobicContact SD-CE2 3.96Å; M159-F322 HydrophobicContact SD-CZ 4.27Å
160	S	92.9	Very high	89.5	Confident	66 Å²	66	42.7 Å²	42.7	46%	0.462	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-45	175.1	-171	0	0	0	0	111.4	K156 H157 I158 A162 G163	K156-S160 VanDerWaalsContact O-CB 3.3Å; K156-S160 WeakPolarHBondContact O-CB 3.33Å; K156-S160 PolarHBondContact O-N 3.48Å; H157-S160 PolarHBondContact O-N 3.09Å; I158-S160 PolarHBondContact O-N 3.29Å; S160-A162 PolarHBondContact O-N 3.4Å; S160-G163 PolarHBondContact O-N 3.25Å; S160-G163 VanDerWaalsContact O-N 3.15Å
161	A	94.5	Very high	89.5	Confident	92 Å²	92	41.5 Å²	41.5	76%	0.76	27%	0.266	S	S	*	.	H	α-helix	trans	-64.5	-30.7	177.3	0	0	0	0	0	112.3	H157 I158 G163	H157-A161 WeakPolarHBondContact O-CB 3.33Å; H157-A161 PolarHBondContact O-N 3.45Å; I158-A161 PolarHBondContact O-N 2.86Å; A161-G163 VanDerWaalsContact C-N 3.26Å; A161-G163 PolarHBondContact O-N 3.42Å
162	A	96.1	Very high	89.6	Confident	26 Å²	26	38.9 Å²	38.9	22%	0.215	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.8	176.2	0	0	0	0	0	114.3	I158 M159 S160 V164 A301	I158-A162 WeakPolarHBondContact O-CB 3.41Å; I158-A162 PolarHBondContact O-N 3.44Å; M159-A162 CarbonylContact O-C 3.44Å; M159-A162 PolarHBondContact O-N 3.37Å; S160-A162 PolarHBondContact O-N 3.4Å; A162-V164 VanDerWaalsContact C-N 3.28Å; A162-V164 HydrophobicContact CB-CG2 4.19Å; A162-V164 PolarHBondContact O-N 2.98Å; A162-A301 HydrophobicContact CB-CB 3.63Å
163	G	95.6	Very high	89.8	Confident	47 Å²	47	45.6 Å²	45.6	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	30.9	-178	0	0	0	0	0	113	M159 S160 A161 R297	M159-G163 PolarHBondContact O-N 2.93Å; S160-G163 PolarHBondContact O-N 3.25Å; S160-G163 VanDerWaalsContact O-N 3.15Å; A161-G163 VanDerWaalsContact C-N 3.26Å; A161-G163 PolarHBondContact O-N 3.42Å; G163-R297 PolarHBondContact O-NE 3.26Å; G163-R297 PolarHBondContact O-NH2 3.38Å
164	V	96.7	Very high	90.3	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	30%	0.3	C	S	.	.			trans	-88.3	127.8	169.5	-177.6	0	0	0	0	107.2	M159 A162 I166 R297 A298 F312 F322	M159-V164 HydrophobicContact CB-CB 4.08Å; M159-V164 WeakPolarHBondContact O-CB 3.32Å; M159-V164 PolarHBondContact O-N 3.02Å; M159-V164 HydrophobicContact SD-CB 4.38Å; M159-V164 HydrophobicContact SD-CG2 4.02Å; A162-V164 VanDerWaalsContact C-N 3.28Å; A162-V164 HydrophobicContact CB-CG2 4.19Å; A162-V164 PolarHBondContact O-N 2.98Å; V164-I166 PolarHBondContact O-N 2.86Å; V164-R297 HydrophobicContact CG2-CB 4.3Å; V164-A298 HydrophobicContact CG2-CB 4.03Å; V164-F312 HydrophobicContact CG1-CE1 4.03Å; V164-F312 HydrophobicContact CG1-CZ 4.46Å; V164-F322 HydrophobicContact CG1-CB 3.86Å; V164-F322 HydrophobicContact CG1-CD2 4.4Å; V164-F322 HydrophobicContact CG1-CG 4.41Å
165	P	94.1	Very high	90.6	Very high	50 Å²	50	47.1 Å²	47.1	33%	0.325	29%	0.294	S	S	.	.			trans	-57.4	123.8	177.8	-25.3	35.4	0	0	0	110.6	F320 F322	P165-F320 WeakPolarHBondContact CB-O 3.48Å; P165-F320 HydrophobicContact CG-CD2 4.33Å; P165-F320 HydrophobicContact CG-CE2 3.82Å; P165-F320 HydrophobicContact CG-CZ 4.44Å; P165-F322 WeakPolarHBondContact O-CB 3.46Å; P165-F322 PolarHBondContact O-N 3.46Å
166	I	91.9	Very high	90.9	Very high	48 Å²	48	49 Å²	49	25%	0.246	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-112.4	153.3	173.8	57.5	160.9	0	0	0	109.4	M159 V164 G168 F322	M159-I166 HydrophobicContact CB-CG2 4.05Å; V164-I166 PolarHBondContact O-N 2.86Å; I166-G168 PolarHBondContact O-N 3.43Å; I166-F322 HydrophobicContact CG2-CB 4.25Å; I166-F322 HydrophobicContact CG2-CD1 4.46Å
167	I	88.4	Confident	91.2	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.051	32%	0.317	C	S	.	.			trans	-65.8	134.2	175.5	-162.8	154.7	0	0	0	109.9	G169 E236 K237 V239 Y321	I167-G169 PolarHBondContact O-N 2.75Å; I167-E236 HydrophobicContact CG2-CB 4.01Å; I167-E236 HydrophobicContact CG2-CG 3.86Å; I167-E236 WeakPolarHBondContact CG2-OE2 3.38Å; I167-K237 HydrophobicContact CD1-CB 4.4Å; I167-K237 WeakPolarHBondContact CD1-O 3.29Å; I167-K237 HydrophobicContact CG1-CB 4.01Å; I167-V239 HydrophobicContact CD1-CG2 3.68Å; I167-Y321 HydrophobicContact CB-CG 4.39Å
168	G	83.6	Confident	91.5	Very high	44 Å²	44	51.7 Å²	51.7	45%	0.454	32%	0.321	S	S	.	.			trans	-58.5	128.3	176.4	0	0	0	0	0	110.3	I166 K237	I166-G168 PolarHBondContact O-N 3.43Å; G168-K237 PolarHBondContact O-N 3.25Å
169	G	87.8	Confident	91.5	Very high	24 Å²	24	54.4 Å²	54.4	25%	0.247	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	173.6	-174.4	0	0	0	0	0	113.7	I167 V235	I167-G169 PolarHBondContact O-N 2.75Å; G169-V235 CarbonylContact C-O 3.59Å; G169-V235 WeakPolarHBondContact CA-O 3.36Å
170	Y	88.9	Confident	91.5	Very high	27 Å²	27	54.4 Å²	54.4	11%	0.106	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.2	171.8	176.4	-101.2	0	0	0	110.1	D174 R179 L180 E183 V235	Y170-D174 VanDerWaalsContact CE1-O 3.3Å; Y170-D174 WeakPolarHBondContact CE1-O 3.39Å; Y170-D174 WeakPolarHBondContact OH-CB 3.45Å; Y170-D174 PolarHBondContact OH-N 3.02Å; Y170-D174 PolarHBondContact OH-O 3.05Å; Y170-R179 HydrophobicContact CE1-CG 4.42Å; Y170-L180 HydrophobicContact CD1-CD2 3.77Å; Y170-L180 HydrophobicContact CE1-CD2 3.8Å; Y170-E183 HydrophobicContact CD1-CB 4.38Å; Y170-E183 HydrophobicContact CD1-CG 4.19Å; Y170-E183 HydrophobicContact CD2-CB 4.38Å; Y170-E183 HydrophobicContact CD2-CG 3.6Å; Y170-E183 HydrophobicContact CE2-CG 4.12Å; Y170-E183 HydrophobicContact CG-CB 3.91Å; Y170-E183 HydrophobicContact CG-CG 3.62Å; Y170-V235 PolarHBondContact N-O 2.85Å; Y170-V235 PolarHBondContact O-N 3.36Å; Y170-V235 VanDerWaalsContact O-N 3.13Å
171	H	86.3	Confident	91.6	Very high	40 Å²	40	53.4 Å²	53.4	19%	0.185	32%	0.317	C	S	.	.			trans	-133.5	20.4	-174.5	-51.2	-37.7	0	0	0	111.8	K156 L234 E236	K156-H171 WeakPolarHBondContact CD-NE2 3.22Å; K156-H171 PolarHBondContact NZ-CE1 2.8Å; K156-H171 PolarHBondContact NZ-NE2 2.83Å; H171-L234 HydrophobicContact CB-CD2 3.83Å; H171-L234 WeakPolarHBondContact ND1-CD2 3.34Å; H171-E236 IonicContact CE1-OE1 3.74Å; H171-E236 PolarHBondContact CE1-OE1 2.79Å
172	G	82.5	Confident	91.6	Very high	26 Å²	26	51.4 Å²	51.4	27%	0.268	30%	0.301	S	S	.	.			trans	-78.6	168.1	-175.6	0	0	0	0	0	113.6	Q175	G172-Q175 PolarHBondContact O-NE2 2.93Å
173	E	85.3	Confident	91.5	Very high	196 Å²	196	50.8 Å²	50.8	92%	0.916	29%	0.293	S	S	*	.	S	Bend	trans	-75.2	-22.1	-177.4	-60.9	-173.6	166.2	0	0	113.6	Q175	E173-Q175 PolarHBondContact O-N 3.35Å
174	D	90.9	Very high	91.4	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	27%	0.27	S	S	.	.			trans	-75.4	109	175.5	178.6	1.1	0	0	0	109.9	Y170 S176 R179	Y170-D174 VanDerWaalsContact CE1-O 3.3Å; Y170-D174 WeakPolarHBondContact CE1-O 3.39Å; Y170-D174 WeakPolarHBondContact OH-CB 3.45Å; Y170-D174 PolarHBondContact OH-N 3.02Å; Y170-D174 PolarHBondContact OH-O 3.05Å; D174-S176 WeakPolarHBondContact OD1-CB 3.29Å; D174-S176 PolarHBondContact OD1-N 3.2Å; D174-S176 PolarHBondContact OD1-OG 2.9Å; D174-R179 HydrophobicContact CB-CG 4.09Å; D174-R179 WeakPolarHBondContact OD2-CB 3.48Å; D174-R179 WeakPolarHBondContact OD2-CG 3.3Å
175	Q	93	Very high	91.3	Very high	37 Å²	37	51.2 Å²	51.2	17%	0.173	29%	0.29	C	S	.	.			trans	-105.4	15.3	-176.1	-65.6	-67.1	-52.4	0	0	112.6	G172 E173 R221 V232 M233	G172-Q175 PolarHBondContact O-NE2 2.93Å; E173-Q175 PolarHBondContact O-N 3.35Å; Q175-R221 PolarHBondContact O-NH2 3.36Å; Q175-V232 HydrophobicContact CG-CG1 4.09Å; Q175-M233 PolarHBondContact NE2-O 3.29Å; Q175-M233 VanDerWaalsContact NE2-O 3.07Å; Q175-M233 PolarHBondContact OE1-O 3.35Å
176	S	94.6	Very high	91.3	Very high	43 Å²	43	56.5 Å²	56.5	30%	0.301	30%	0.303	S	S	.	.			trans	-62.8	148.2	174.2	59.7	0	0	0	0	111.8	D174 E178 R179 L180	D174-S176 WeakPolarHBondContact OD1-CB 3.29Å; D174-S176 PolarHBondContact OD1-N 3.2Å; D174-S176 PolarHBondContact OD1-OG 2.9Å; S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 PolarHBondContact O-N 3.45Å; S176-R179 PolarHBondContact O-N 2.98Å; S176-R179 WeakPolarHBondContact OG-CB 3.28Å; S176-R179 PolarHBondContact OG-N 2.84Å; S176-L180 WeakPolarHBondContact O-CG 3.41Å; S176-L180 PolarHBondContact O-N 3.48Å
177	N	94.5	Very high	91.3	Very high	48 Å²	48	55.7 Å²	55.7	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-41.3	-178	-74.5	6.2	0	0	0	111.1	R179 L180 Q181 L214 R221	N177-R179 PolarHBondContact O-N 2.72Å; N177-L180 PolarHBondContact O-N 2.83Å; N177-Q181 VanDerWaalsContact O-CB 3.28Å; N177-Q181 WeakPolarHBondContact O-CB 3.48Å; N177-Q181 PolarHBondContact O-N 2.87Å; N177-L214 HydrophobicContact CB-CD2 3.91Å; N177-R221 PolarHBondContact OD1-NH1 3.03Å; N177-R221 PolarHBondContact OD1-NH2 3.24Å
178	E	94.1	Very high	91.5	Very high	142 Å²	142	56.4 Å²	56.4	66%	0.664	31%	0.309	S	S	*	.	H	α-helix	trans	-62	-43.8	179.1	-61.1	71.5	-157	0	0	110.9	S176 A182	S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 PolarHBondContact O-N 3.45Å; E178-A182 VanDerWaalsContact O-CB 3.28Å; E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 3.25Å
179	R	95.3	Very high	91.8	Very high	94 Å²	94	56.7 Å²	56.7	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-66	-48.7	177.9	-176.5	69.8	-177.1	145.9	10.1	111.6	Y170 D174 S176 N177 Q181 A182 E183	Y170-R179 HydrophobicContact CE1-CG 4.42Å; D174-R179 HydrophobicContact CB-CG 4.09Å; D174-R179 WeakPolarHBondContact OD2-CB 3.48Å; D174-R179 WeakPolarHBondContact OD2-CG 3.3Å; S176-R179 PolarHBondContact O-N 2.98Å; S176-R179 WeakPolarHBondContact OG-CB 3.28Å; S176-R179 PolarHBondContact OG-N 2.84Å; N177-R179 PolarHBondContact O-N 2.72Å; R179-Q181 VanDerWaalsContact C-N 3.3Å; R179-Q181 PolarHBondContact O-N 2.87Å; R179-A182 PolarHBondContact O-N 3.04Å; R179-E183 IonicContact CZ-OE1 3.36Å; R179-E183 IonicContact NE-OE1 2.89Å; R179-E183 IonicContact NH1-OE1 3.17Å; R179-E183 PolarHBondContact NH1-OE1 2.87Å; R179-E183 IonicContact NH2-OE1 2.71Å; R179-E183 PolarHBondContact NH2-OE1 2.67Å; R179-E183 WeakPolarHBondContact O-CB 3.42Å; R179-E183 WeakPolarHBondContact O-CG 3.45Å; R179-E183 PolarHBondContact O-N 3.06Å
180	L	94.4	Very high	92.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-38.9	-179	-68.4	174.1	0	0	0	111.6	Y170 S176 N177 A184 F213 L217 V235	Y170-L180 HydrophobicContact CD1-CD2 3.77Å; Y170-L180 HydrophobicContact CE1-CD2 3.8Å; S176-L180 WeakPolarHBondContact O-CG 3.41Å; S176-L180 PolarHBondContact O-N 3.48Å; N177-L180 PolarHBondContact O-N 2.83Å; L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.06Å; L180-F213 HydrophobicContact CB-CE1 4.06Å; L180-F213 HydrophobicContact CB-CZ 3.96Å; L180-F213 WeakPolarHBondContact O-CZ 3.39Å; L180-L217 HydrophobicContact CB-CD2 4.41Å; L180-L217 HydrophobicContact CD1-CD1 3.98Å; L180-L217 HydrophobicContact CD1-CD2 3.9Å; L180-V235 HydrophobicContact CB-CG2 4.45Å; L180-V235 HydrophobicContact CD2-CG2 4.02Å
181	Q	94.6	Very high	92.3	Very high	45 Å²	45	55.4 Å²	55.4	21%	0.21	29%	0.288	C	S	.	.	H	α-helix	trans	-70.3	-41	176.5	-172	172.8	11.3	0	0	112.5	N177 R179 E183 A184 S185 D210 F213	N177-Q181 VanDerWaalsContact O-CB 3.28Å; N177-Q181 WeakPolarHBondContact O-CB 3.48Å; N177-Q181 PolarHBondContact O-N 2.87Å; R179-Q181 VanDerWaalsContact C-N 3.3Å; R179-Q181 PolarHBondContact O-N 2.87Å; Q181-E183 VanDerWaalsContact C-N 3.31Å; Q181-E183 PolarHBondContact O-N 3.48Å; Q181-A184 WeakPolarHBondContact O-CB 3.3Å; Q181-A184 PolarHBondContact O-N 2.79Å; Q181-S185 PolarHBondContact O-N 2.76Å; Q181-S185 PolarHBondContact O-OG 3.36Å; Q181-D210 VanDerWaalsContact CG-OD1 3.24Å; Q181-D210 WeakPolarHBondContact CG-OD1 3.4Å; Q181-D210 VanDerWaalsContact NE2-CG 3.3Å; Q181-D210 PolarHBondContact NE2-O 2.86Å; Q181-D210 PolarHBondContact NE2-OD1 3.46Å; Q181-D210 PolarHBondContact NE2-OD2 2.85Å; Q181-F213 VanDerWaalsContact CA-CE1 3.48Å; Q181-F213 HydrophobicContact CB-CD1 3.71Å; Q181-F213 HydrophobicContact CB-CE1 3.78Å; Q181-F213 HydrophobicContact CG-CD1 3.87Å; Q181-F213 HydrophobicContact CG-CE1 4.42Å; Q181-F213 HydrophobicContact CG-CG 4.45Å
182	A	94.2	Very high	92.6	Very high	51 Å²	51	55 Å²	55	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-40.6	174.5	0	0	0	0	0	111.8	E178 R179 S185 R186	E178-A182 VanDerWaalsContact O-CB 3.28Å; E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 3.25Å; R179-A182 PolarHBondContact O-N 3.04Å; A182-S185 PolarHBondContact O-N 3.19Å; A182-R186 WeakPolarHBondContact O-CB 3.49Å; A182-R186 PolarHBondContact O-N 2.78Å
183	E	95	Very high	93.1	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-68.7	-39.8	175.4	-72.2	-65.5	141.8	0	0	112.2	Y170 R179 Q181 S185 R186 I187	Y170-E183 HydrophobicContact CD1-CB 4.38Å; Y170-E183 HydrophobicContact CD1-CG 4.19Å; Y170-E183 HydrophobicContact CD2-CB 4.38Å; Y170-E183 HydrophobicContact CD2-CG 3.6Å; Y170-E183 HydrophobicContact CE2-CG 4.12Å; Y170-E183 HydrophobicContact CG-CB 3.91Å; Y170-E183 HydrophobicContact CG-CG 3.62Å; R179-E183 IonicContact CZ-OE1 3.36Å; R179-E183 IonicContact NE-OE1 2.89Å; R179-E183 IonicContact NH1-OE1 3.17Å; R179-E183 PolarHBondContact NH1-OE1 2.87Å; R179-E183 IonicContact NH2-OE1 2.71Å; R179-E183 PolarHBondContact NH2-OE1 2.67Å; R179-E183 WeakPolarHBondContact O-CB 3.42Å; R179-E183 WeakPolarHBondContact O-CG 3.45Å; R179-E183 PolarHBondContact O-N 3.06Å; Q181-E183 VanDerWaalsContact C-N 3.31Å; Q181-E183 PolarHBondContact O-N 3.48Å; E183-S185 VanDerWaalsContact C-N 3.31Å; E183-S185 PolarHBondContact O-N 2.78Å; E183-R186 PolarHBondContact O-N 3.39Å; E183-R186 VanDerWaalsContact O-N 3.17Å; E183-R186 IonicContact OE1-NE 2.65Å; E183-R186 IonicContact OE2-CZ 3.09Å; E183-R186 IonicContact OE2-NE 3.84Å; E183-R186 PolarHBondContact OE2-NE 3.4Å; E183-R186 IonicContact OE2-NH2 3.5Å; E183-R186 PolarHBondContact OE2-NH2 3.1Å; E183-I187 WeakPolarHBondContact O-CB 3.38Å; E183-I187 WeakPolarHBondContact O-CD1 3.38Å; E183-I187 WeakPolarHBondContact O-CG1 3.34Å; E183-I187 PolarHBondContact O-N 3.27Å
184	A	93.9	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-45.4	171.6	0	0	0	0	0	111.8	L180 Q181 R186 I187 G188 F189 V191 F213 V235	L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.06Å; Q181-A184 WeakPolarHBondContact O-CB 3.3Å; Q181-A184 PolarHBondContact O-N 2.79Å; A184-R186 PolarHBondContact O-N 3.49Å; A184-I187 PolarHBondContact O-N 3.33Å; A184-G188 PolarHBondContact O-N 2.91Å; A184-F189 HydrophobicContact CB-CE1 4.07Å; A184-F189 HydrophobicContact CB-CZ 3.74Å; A184-V191 HydrophobicContact CB-CG1 4.47Å; A184-V191 HydrophobicContact CB-CG2 3.96Å; A184-F213 HydrophobicContact CB-CD2 3.72Å; A184-F213 HydrophobicContact CB-CE2 3.46Å; A184-F213 VanDerWaalsContact CB-CE2 3.46Å; A184-F213 HydrophobicContact CB-CG 4.43Å; A184-F213 HydrophobicContact CB-CZ 3.98Å; A184-V235 HydrophobicContact CB-CG1 3.98Å
185	S	93.6	Very high	92.9	Very high	62 Å²	62	42.3 Å²	42.3	43%	0.434	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-39.4	175.2	-72.4	0	0	0	0	112.7	Q181 A182 E183 G188 D210	Q181-S185 PolarHBondContact O-N 2.76Å; Q181-S185 PolarHBondContact O-OG 3.36Å; A182-S185 PolarHBondContact O-N 3.19Å; E183-S185 VanDerWaalsContact C-N 3.31Å; E183-S185 PolarHBondContact O-N 2.78Å; S185-G188 PolarHBondContact O-N 2.68Å; S185-D210 PolarHBondContact OG-OD1 2.91Å
186	R	94.2	Very high	92.3	Very high	160 Å²	160	41.6 Å²	41.6	60%	0.604	22%	0.216	S	C	*	.	H	α-helix	trans	-67.9	-40	177	-171.1	-173.7	67.6	75.5	1.2	112.7	A182 E183 A184 G188	A182-R186 WeakPolarHBondContact O-CB 3.49Å; A182-R186 PolarHBondContact O-N 2.78Å; E183-R186 PolarHBondContact O-N 3.39Å; E183-R186 VanDerWaalsContact O-N 3.17Å; E183-R186 IonicContact OE1-NE 2.65Å; E183-R186 IonicContact OE2-CZ 3.09Å; E183-R186 IonicContact OE2-NE 3.84Å; E183-R186 PolarHBondContact OE2-NE 3.4Å; E183-R186 IonicContact OE2-NH2 3.5Å; E183-R186 PolarHBondContact OE2-NH2 3.1Å; A184-R186 PolarHBondContact O-N 3.49Å; R186-G188 VanDerWaalsContact C-N 3.29Å
187	I	92.8	Very high	91.1	Very high	32 Å²	32	47.1 Å²	47.1	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-34.7	175.6	-67.1	159	0	0	0	110.2	E183 A184 V191 V235 K237	E183-I187 WeakPolarHBondContact O-CB 3.38Å; E183-I187 WeakPolarHBondContact O-CD1 3.38Å; E183-I187 WeakPolarHBondContact O-CG1 3.34Å; E183-I187 PolarHBondContact O-N 3.27Å; A184-I187 PolarHBondContact O-N 3.33Å; I187-V191 HydrophobicContact CB-CG1 4.25Å; I187-V191 HydrophobicContact CG2-CG1 3.95Å; I187-V235 HydrophobicContact CD1-CB 4.3Å; I187-V235 HydrophobicContact CD1-CG1 3.88Å; I187-K237 HydrophobicContact CG2-CB 3.8Å; I187-K237 HydrophobicContact CG2-CD 4.07Å
188	G	91.4	Very high	89.5	Confident	25 Å²	25	46.2 Å²	46.2	26%	0.258	23%	0.232	S	C	.	.			trans	87.6	128.6	-179.6	0	0	0	0	0	112	A184 S185 R186 K237	A184-G188 PolarHBondContact O-N 2.91Å; S185-G188 PolarHBondContact O-N 2.68Å; R186-G188 VanDerWaalsContact C-N 3.29Å; G188-K237 WeakPolarHBondContact O-CD 3.15Å; G188-K237 PolarHBondContact O-NZ 3.05Å
189	F	91.1	Very high	87.8	Confident	50 Å²	50	41.8 Å²	41.8	22%	0.219	23%	0.225	C	C	.	.	S	Bend	trans	-67.2	155.4	179.6	-65.9	-84.2	0	0	0	113.1	A184 V191 A207 R208 S209 D210 F213 K237	A184-F189 HydrophobicContact CB-CE1 4.07Å; A184-F189 HydrophobicContact CB-CZ 3.74Å; F189-V191 HydrophobicContact CD1-CG1 4.42Å; F189-V191 HydrophobicContact CD1-CG2 3.89Å; F189-V191 HydrophobicContact CE1-CG2 3.76Å; F189-A207 HydrophobicContact CD1-CB 4.4Å; F189-A207 HydrophobicContact CE1-CB 4.1Å; F189-R208 WeakPolarHBondContact CB-O 2.77Å; F189-S209 VanDerWaalsContact CE1-C 3.44Å; F189-S209 WeakPolarHBondContact CE1-O 3.24Å; F189-D210 HydrophobicContact CE2-CB 3.78Å; F189-D210 VanDerWaalsContact CZ-CA 3.45Å; F189-D210 HydrophobicContact CZ-CB 4.06Å; F189-F213 HydrophobicContact CE1-CB 4.22Å; F189-F213 HydrophobicContact CE1-CD2 4.05Å; F189-F213 HydrophobicContact CE1-CG 4.5Å; F189-F213 HydrophobicContact CZ-CB 4.32Å; F189-F213 HydrophobicContact CZ-CD2 4.4Å; F189-K237 PolarHBondContact O-NZ 2.95Å
190	P	93.8	Very high	86	Confident	23 Å²	23	40.2 Å²	40.2	15%	0.149	24%	0.238	C	C	.	.	S	Bend	cis	-68.2	149.4	-7.5	28.9	-34.4	0	0	0	112.3	I206 A207 F238 E240	P190-I206 HydrophobicContact CB-CG2 4.46Å; P190-A207 WeakPolarHBondContact CA-O 3.33Å; P190-F238 HydrophobicContact CB-CB 3.99Å; P190-F238 HydrophobicContact CB-CD1 4.05Å; P190-F238 HydrophobicContact CB-CG 4.4Å; P190-F238 HydrophobicContact CG-CB 4.08Å; P190-F238 HydrophobicContact CG-CD1 3.81Å; P190-F238 HydrophobicContact CG-CG 4.42Å; P190-F238 WeakPolarHBondContact O-CB 3.36Å; P190-F238 PolarHBondContact O-N 3.37Å; P190-F238 VanDerWaalsContact O-N 3.1Å; P190-E240 HydrophobicContact CG-CG 4.35Å
191	V	94	Very high	84.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.1	175.3	-60.6	0	0	0	0	110.9	A184 I187 F189 A207 F213 V235 E236	A184-V191 HydrophobicContact CB-CG1 4.47Å; A184-V191 HydrophobicContact CB-CG2 3.96Å; I187-V191 HydrophobicContact CB-CG1 4.25Å; I187-V191 HydrophobicContact CG2-CG1 3.95Å; F189-V191 HydrophobicContact CD1-CG1 4.42Å; F189-V191 HydrophobicContact CD1-CG2 3.89Å; F189-V191 HydrophobicContact CE1-CG2 3.76Å; V191-A207 HydrophobicContact CG2-CB 3.95Å; V191-A207 PolarHBondContact N-O 2.91Å; V191-A207 PolarHBondContact O-N 2.67Å; V191-F213 HydrophobicContact CG2-CD2 4.13Å; V191-F213 HydrophobicContact CG2-CE2 4.15Å; V191-V235 HydrophobicContact CB-CG1 4Å; V191-V235 HydrophobicContact CG1-CG1 4.38Å; V191-V235 HydrophobicContact CG2-CG1 3.99Å; V191-E236 CarbonylContact C-O 3.53Å; V191-E236 VanDerWaalsContact CA-O 3.25Å; V191-E236 WeakPolarHBondContact CA-O 3.3Å; V191-E236 VanDerWaalsContact CB-O 3.32Å; V191-E236 WeakPolarHBondContact CB-O 3.24Å
192	M	92.3	Very high	83.1	Confident	33 Å²	33	44.3 Å²	44.3	16%	0.163	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.6	172.4	-167.8	173.2	-64.2	0	0	110.2	K194 M204 R205 I206 E236 F238	M192-K194 HydrophobicContact CG-CD 4.48Å; M192-K194 HydrophobicContact CG-CG 3.88Å; M192-K194 HydrophobicContact SD-CD 4.17Å; M192-K194 WeakPolarHBondContact SD-CE 3.35Å; M192-K194 HydrophobicContact SD-CG 4.06Å; M192-M204 HydrophobicContact SD-SD 3.82Å; M192-R205 CarbonylContact C-O 3.58Å; M192-R205 WeakPolarHBondContact CA-O 3.49Å; M192-I206 HydrophobicContact CE-CG1 4.38Å; M192-E236 PolarHBondContact N-O 3.09Å; M192-E236 PolarHBondContact O-N 3.35Å; M192-F238 HydrophobicContact CB-CD2 4.27Å; M192-F238 HydrophobicContact CE-CD2 3.31Å; M192-F238 HydrophobicContact CE-CE2 3.33Å
193	I	92.1	Very high	82	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.4	172.4	-54.9	169.4	0	0	0	107.1	M204 R205 A207 F213 Q216 L217 A220 M233 L234	I193-M204 CarbonylContact O-C 3.56Å; I193-M204 VanDerWaalsContact O-CA 3.29Å; I193-M204 WeakPolarHBondContact O-CA 3.34Å; I193-R205 PolarHBondContact N-O 3.29Å; I193-R205 PolarHBondContact O-N 2.96Å; I193-A207 HydrophobicContact CD1-CB 4.31Å; I193-F213 HydrophobicContact CD1-CD2 3.9Å; I193-F213 HydrophobicContact CD1-CE2 3.64Å; I193-F213 HydrophobicContact CD1-CZ 4.22Å; I193-F213 HydrophobicContact CG1-CD2 4.43Å; I193-F213 HydrophobicContact CG1-CE2 3.84Å; I193-Q216 HydrophobicContact CD1-CB 3.93Å; I193-L217 HydrophobicContact CD1-CB 4.02Å; I193-L217 HydrophobicContact CG2-CD1 3.86Å; I193-A220 HydrophobicContact CG2-CB 3.9Å; I193-M233 HydrophobicContact CG2-CB 4.34Å; I193-M233 HydrophobicContact CG2-CG 4.37Å; I193-M233 HydrophobicContact CG2-SD 4.11Å; I193-L234 WeakPolarHBondContact CA-O 3.45Å
194	K	87.8	Confident	81.5	Confident	27 Å²	27	43.7 Å²	43.7	12%	0.117	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140	-177.5	-59.1	-177.3	177.1	167.6	0	111.1	M192 M204 M233 L234 E236	M192-K194 HydrophobicContact CG-CD 4.48Å; M192-K194 HydrophobicContact CG-CG 3.88Å; M192-K194 HydrophobicContact SD-CD 4.17Å; M192-K194 WeakPolarHBondContact SD-CE 3.35Å; M192-K194 HydrophobicContact SD-CG 4.06Å; K194-M204 HydrophobicContact CB-CG 4.42Å; K194-M204 HydrophobicContact CD-SD 3.91Å; K194-M204 HydrophobicContact CG-CG 3.98Å; K194-M204 HydrophobicContact CG-SD 3.86Å; K194-M233 CarbonylContact O-C 3.58Å; K194-M233 WeakPolarHBondContact O-CA 3.14Å; K194-L234 HydrophobicContact CB-CB 4.48Å; K194-L234 PolarHBondContact N-O 2.91Å; K194-L234 PolarHBondContact O-N 2.79Å; K194-E236 WeakPolarHBondContact CE-OE2 3.38Å; K194-E236 IonicContact NZ-OE2 3.49Å; K194-E236 PolarHBondContact NZ-OE2 3.21Å
195	A	85.3	Confident	81.3	Confident	4 Å²	4	47 Å²	47	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	141.7	165.9	0	0	0	0	0	111.7	R197 G203 A224 M233	A195-R197 VanDerWaalsContact C-N 3.35Å; A195-R197 WeakPolarHBondContact CB-O 3.44Å; A195-G203 PolarHBondContact N-O 2.86Å; A195-A224 HydrophobicContact CB-CB 3.71Å; A195-M233 HydrophobicContact CB-CE 3.97Å; A195-M233 HydrophobicContact CB-SD 4.49Å
196	V	79.3	Confident	81.3	Confident	23 Å²	23	47 Å²	47	14%	0.139	26%	0.257	C	S	.	.	S	Bend	trans	-64.1	-41.5	175.3	172.5	0	0	0	0	111.3	V232 L234	V196-V232 HydrophobicContact CB-CB 4.33Å; V196-V232 HydrophobicContact CB-CG1 4.31Å; V196-V232 HydrophobicContact CG2-CB 3.95Å; V196-V232 HydrophobicContact CG2-CG1 3.47Å; V196-V232 VanDerWaalsContact CG2-CG1 3.47Å; V196-V232 PolarHBondContact N-O 3.48Å; V196-L234 HydrophobicContact CG2-CD1 4.28Å; V196-L234 HydrophobicContact CG2-CD2 3.56Å; V196-L234 HydrophobicContact CG2-CG 3.67Å
197	R	70.4	Confident	81.2	Confident	159 Å²	159	39.4 Å²	39.4	60%	0.6	23%	0.229	S	C	*	.	S	Bend	trans	-96.7	142.3	175.9	-66.4	-175.9	-170.9	-168.3	-4.5	110.6	A195 F228 D230	A195-R197 VanDerWaalsContact C-N 3.35Å; A195-R197 WeakPolarHBondContact CB-O 3.44Å; R197-F228 HydrophobicContact CB-CB 4.18Å; R197-F228 HydrophobicContact CB-CG 4.44Å; R197-F228 VanDerWaalsContact O-CD2 3.25Å; R197-F228 WeakPolarHBondContact O-CD2 3.31Å; R197-F228 WeakPolarHBondContact O-CE2 3.1Å; R197-D230 HydrophobicContact CB-CB 4.44Å; R197-D230 WeakPolarHBondContact CD-OD2 3.32Å; R197-D230 HydrophobicContact CG-CB 4.48Å; R197-D230 WeakPolarHBondContact CG-OD2 3.4Å; R197-D230 IonicContact CZ-OD2 3.99Å; R197-D230 IonicContact NE-OD2 2.78Å; R197-D230 PolarHBondContact NE-OD2 3.02Å; R197-D230 VanDerWaalsContact NE-OD2 3.08Å
198	G	60.9	Low	81.3	Confident	28 Å²	28	45.3 Å²	45.3	29%	0.289	25%	0.249	S	C	.	.			trans	111.4	157.3	175.3	0	0	0	0	0	114.7	K152 F228	K152-G198 VanDerWaalsContact CE-O 3.27Å; K152-G198 WeakPolarHBondContact CE-O 3.46Å; K152-G198 PolarHBondContact NZ-O 2.96Å; G198-F228 VanDerWaalsContact CA-CE1 3.48Å
199	G	57	Low	81.5	Confident	49 Å²	49	46 Å²	46	51%	0.505	25%	0.25	S	S	.	.			trans	-130.9	171.4	177.7	0	0	0	0	0	112.2
200	G	58.8	Low	81.6	Confident	62 Å²	62	47.1 Å²	47.1	64%	0.639	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	44.7	169.7	0	0	0	0	0	116.3	K202	G200-K202 VanDerWaalsContact C-N 3.32Å; G200-K202 PolarHBondContact O-N 2.87Å
201	G	61.6	Low	81.6	Confident	21 Å²	21	51.3 Å²	51.3	22%	0.216	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	93	-29.4	172.6	0	0	0	0	0	116.1	M204 H271	G201-M204 WeakPolarHBondContact O-CB 3.41Å; G201-M204 WeakPolarHBondContact O-CG 3.45Å; G201-M204 PolarHBondContact O-N 3.49Å; G201-H271 WeakPolarHBondContact CA-NE2 3.23Å
202	K	65.8	Low	81.6	Confident	110 Å²	110	53 Å²	53	48%	0.478	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	132	-168.4	-64	-174.8	180	-176	0	112.3	G200 M204 E223 F228	G200-K202 VanDerWaalsContact C-N 3.32Å; G200-K202 PolarHBondContact O-N 2.87Å; K202-M204 VanDerWaalsContact C-N 3.35Å; K202-E223 VanDerWaalsContact CA-OE1 3.32Å; K202-E223 WeakPolarHBondContact CA-OE1 3.32Å; K202-F228 HydrophobicContact CB-CE2 4.16Å; K202-F228 HydrophobicContact CB-CZ 3.97Å
203	G	71.7	Confident	81.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	24	-178.6	0	0	0	0	0	114	A195 E223	A195-G203 PolarHBondContact N-O 2.86Å; G203-E223 PolarHBondContact N-OE1 3.44Å
204	M	84.3	Confident	81.8	Confident	50 Å²	50	54.7 Å²	54.7	25%	0.246	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135	173.3	-59.5	-158.4	-69.4	0	0	111.5	M192 I193 K194 G201 K202	M192-M204 HydrophobicContact SD-SD 3.82Å; I193-M204 CarbonylContact O-C 3.56Å; I193-M204 VanDerWaalsContact O-CA 3.29Å; I193-M204 WeakPolarHBondContact O-CA 3.34Å; K194-M204 HydrophobicContact CB-CG 4.42Å; K194-M204 HydrophobicContact CD-SD 3.91Å; K194-M204 HydrophobicContact CG-CG 3.98Å; K194-M204 HydrophobicContact CG-SD 3.86Å; G201-M204 WeakPolarHBondContact O-CB 3.41Å; G201-M204 WeakPolarHBondContact O-CG 3.45Å; G201-M204 PolarHBondContact O-N 3.49Å; K202-M204 VanDerWaalsContact C-N 3.35Å
205	R	89.9	Confident	82.1	Confident	68 Å²	68	60 Å²	60	26%	0.257	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.7	173.9	-66.8	-64.5	-177.5	-86.9	-6.4	110.9	M192 I193 Q216 S219 A220 E223	M192-R205 CarbonylContact C-O 3.58Å; M192-R205 WeakPolarHBondContact CA-O 3.49Å; I193-R205 PolarHBondContact N-O 3.29Å; I193-R205 PolarHBondContact O-N 2.96Å; R205-Q216 HydrophobicContact CB-CB 3.99Å; R205-Q216 WeakPolarHBondContact CG-O 3.26Å; R205-S219 PolarHBondContact NE-OG 2.63Å; R205-S219 PolarHBondContact NH2-OG 3.35Å; R205-A220 HydrophobicContact CB-CB 4.33Å; R205-A220 HydrophobicContact CG-CB 3.86Å; R205-E223 IonicContact CZ-OE2 2.66Å; R205-E223 IonicContact NH1-OE2 2.91Å; R205-E223 PolarHBondContact NH1-OE2 3.49Å; R205-E223 IonicContact NH2-OE2 3.43Å; R205-E223 PolarHBondContact NH2-OE2 3.32Å
206	I	92	Very high	82.6	Confident	64 Å²	64	62 Å²	62	33%	0.328	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.8	176.2	-56.6	165.8	0	0	0	106.9	P190 M192 R208 F238	P190-I206 HydrophobicContact CB-CG2 4.46Å; M192-I206 HydrophobicContact CE-CG1 4.38Å; I206-R208 HydrophobicContact CG2-CG 4.29Å; I206-F238 HydrophobicContact CD1-CD2 4.19Å; I206-F238 HydrophobicContact CD1-CE1 4.36Å; I206-F238 HydrophobicContact CD1-CE2 3.49Å; I206-F238 VanDerWaalsContact CD1-CE2 3.49Å; I206-F238 HydrophobicContact CD1-CZ 3.6Å; I206-F238 HydrophobicContact CG1-CD2 4.08Å; I206-F238 HydrophobicContact CG1-CE2 3.87Å; I206-F238 HydrophobicContact CG1-CZ 4.36Å; I206-F238 HydrophobicContact CG2-CD1 4.28Å; I206-F238 HydrophobicContact CG2-CD2 4.32Å; I206-F238 HydrophobicContact CG2-CE1 4.5Å; I206-F238 HydrophobicContact CG2-CG 4.19Å
207	A	93.9	Very high	83.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.5	168.4	0	0	0	0	0	107.9	F189 P190 V191 I193 D212 F213 Q216	F189-A207 HydrophobicContact CD1-CB 4.4Å; F189-A207 HydrophobicContact CE1-CB 4.1Å; P190-A207 WeakPolarHBondContact CA-O 3.33Å; V191-A207 HydrophobicContact CG2-CB 3.95Å; V191-A207 PolarHBondContact N-O 2.91Å; V191-A207 PolarHBondContact O-N 2.67Å; I193-A207 HydrophobicContact CD1-CB 4.31Å; A207-D212 VanDerWaalsContact CA-OD1 3.24Å; A207-D212 WeakPolarHBondContact CA-OD1 3.43Å; A207-D212 WeakPolarHBondContact CB-OD1 3.37Å; A207-F213 HydrophobicContact CB-CB 4.26Å; A207-F213 HydrophobicContact CB-CD2 3.79Å; A207-F213 HydrophobicContact CB-CG 4.49Å; A207-Q216 HydrophobicContact CB-CB 4.38Å; A207-Q216 HydrophobicContact CB-CG 4.45Å
208	R	93.9	Very high	84.3	Confident	155 Å²	155	56.5 Å²	56.5	59%	0.585	32%	0.32	S	S	*	.			trans	-90.5	-19	-177.9	-69.2	-174.1	171.3	-85.5	1.4	112.2	F189 I206 D212 E240	F189-R208 WeakPolarHBondContact CB-O 2.77Å; I206-R208 HydrophobicContact CG2-CG 4.29Å; R208-D212 PolarHBondContact N-OD1 3.04Å; R208-D212 PolarHBondContact N-OD2 2.99Å; R208-E240 IonicContact NH1-OE1 3.33Å
209	S	95.2	Very high	85.7	Confident	41 Å²	41	56.4 Å²	56.4	29%	0.287	32%	0.315	S	S	.	.	S	Bend	trans	-148.9	170	179.5	64.3	0	0	0	0	111.7	F189 S211 D212 F213	F189-S209 VanDerWaalsContact CE1-C 3.44Å; F189-S209 WeakPolarHBondContact CE1-O 3.24Å; S209-S211 PolarHBondContact O-N 2.81Å; S209-S211 PolarHBondContact OG-OG 3.27Å; S209-D212 PolarHBondContact N-OD1 3.47Å; S209-D212 PolarHBondContact O-N 3.46Å; S209-F213 PolarHBondContact O-N 3.33Å
210	D	93.9	Very high	87.2	Confident	72 Å²	72	54.1 Å²	54.1	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-34.8	174.4	-173.5	62.8	0	0	0	112.2	Q181 S185 F189 D212 F213	Q181-D210 VanDerWaalsContact CG-OD1 3.24Å; Q181-D210 WeakPolarHBondContact CG-OD1 3.4Å; Q181-D210 VanDerWaalsContact NE2-CG 3.3Å; Q181-D210 PolarHBondContact NE2-O 2.86Å; Q181-D210 PolarHBondContact NE2-OD1 3.46Å; Q181-D210 PolarHBondContact NE2-OD2 2.85Å; S185-D210 PolarHBondContact OG-OD1 2.91Å; F189-D210 HydrophobicContact CE2-CB 3.78Å; F189-D210 VanDerWaalsContact CZ-CA 3.45Å; F189-D210 HydrophobicContact CZ-CB 4.06Å; D210-D212 PolarHBondContact O-N 3.12Å; D210-F213 WeakPolarHBondContact O-CB 3.36Å; D210-F213 PolarHBondContact O-N 2.62Å
211	S	93.9	Very high	88.7	Confident	112 Å²	112	52.1 Å²	52.1	78%	0.783	26%	0.264	S	S	*	.	H	α-helix	trans	-68.7	-28.2	-178.4	61.3	0	0	0	0	114.3	S209	S209-S211 PolarHBondContact O-N 2.81Å; S209-S211 PolarHBondContact OG-OG 3.27Å
212	D	93.9	Very high	90	Very high	34 Å²	34	58.7 Å²	58.7	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-93.7	-10.8	179.6	74.2	5.9	0	0	0	113.1	A207 R208 S209 D210 L214 E215 Q216	A207-D212 VanDerWaalsContact CA-OD1 3.24Å; A207-D212 WeakPolarHBondContact CA-OD1 3.43Å; A207-D212 WeakPolarHBondContact CB-OD1 3.37Å; R208-D212 PolarHBondContact N-OD1 3.04Å; R208-D212 PolarHBondContact N-OD2 2.99Å; S209-D212 PolarHBondContact N-OD1 3.47Å; S209-D212 PolarHBondContact O-N 3.46Å; D210-D212 PolarHBondContact O-N 3.12Å; D212-L214 PolarHBondContact O-N 2.89Å; D212-E215 PolarHBondContact O-N 3.43Å; D212-Q216 WeakPolarHBondContact O-CG 3.32Å; D212-Q216 PolarHBondContact O-N 3.33Å; D212-Q216 VanDerWaalsContact O-N 3.14Å
213	F	95.1	Very high	90.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-49.7	-170.8	-178.8	-97.1	0	0	0	113.8	L180 Q181 A184 F189 V191 I193 A207 S209 D210 E215 Q216 L217 V235	L180-F213 HydrophobicContact CB-CE1 4.06Å; L180-F213 HydrophobicContact CB-CZ 3.96Å; L180-F213 WeakPolarHBondContact O-CZ 3.39Å; Q181-F213 VanDerWaalsContact CA-CE1 3.48Å; Q181-F213 HydrophobicContact CB-CD1 3.71Å; Q181-F213 HydrophobicContact CB-CE1 3.78Å; Q181-F213 HydrophobicContact CG-CD1 3.87Å; Q181-F213 HydrophobicContact CG-CE1 4.42Å; Q181-F213 HydrophobicContact CG-CG 4.45Å; A184-F213 HydrophobicContact CB-CD2 3.72Å; A184-F213 HydrophobicContact CB-CE2 3.46Å; A184-F213 VanDerWaalsContact CB-CE2 3.46Å; A184-F213 HydrophobicContact CB-CG 4.43Å; A184-F213 HydrophobicContact CB-CZ 3.98Å; F189-F213 HydrophobicContact CE1-CB 4.22Å; F189-F213 HydrophobicContact CE1-CD2 4.05Å; F189-F213 HydrophobicContact CE1-CG 4.5Å; F189-F213 HydrophobicContact CZ-CB 4.32Å; F189-F213 HydrophobicContact CZ-CD2 4.4Å; V191-F213 HydrophobicContact CG2-CD2 4.13Å; V191-F213 HydrophobicContact CG2-CE2 4.15Å; I193-F213 HydrophobicContact CD1-CD2 3.9Å; I193-F213 HydrophobicContact CD1-CE2 3.64Å; I193-F213 HydrophobicContact CD1-CZ 4.22Å; I193-F213 HydrophobicContact CG1-CD2 4.43Å; I193-F213 HydrophobicContact CG1-CE2 3.84Å; A207-F213 HydrophobicContact CB-CB 4.26Å; A207-F213 HydrophobicContact CB-CD2 3.79Å; A207-F213 HydrophobicContact CB-CG 4.49Å; S209-F213 PolarHBondContact O-N 3.33Å; D210-F213 WeakPolarHBondContact O-CB 3.36Å; D210-F213 PolarHBondContact O-N 2.62Å; F213-E215 VanDerWaalsContact C-N 3.34Å; F213-E215 PolarHBondContact O-N 2.78Å; F213-Q216 PolarHBondContact O-N 3.49Å; F213-L217 HydrophobicContact CE1-CB 4.44Å; F213-L217 HydrophobicContact CE1-CD2 3.98Å; F213-L217 WeakPolarHBondContact O-CB 3.49Å; F213-L217 PolarHBondContact O-N 3.48Å; F213-V235 HydrophobicContact CE2-CG1 4.35Å; F213-V235 HydrophobicContact CE2-CG2 4.27Å; F213-V235 HydrophobicContact CZ-CG2 4.07Å
214	L	94.2	Very high	91.4	Very high	69 Å²	69	55.8 Å²	55.8	36%	0.361	27%	0.271	S	S	.	.	H	α-helix	trans	-65	-37.8	-175.9	-69.4	175.6	0	0	0	112.4	N177 D212 L217 E218	N177-L214 HydrophobicContact CB-CD2 3.91Å; D212-L214 PolarHBondContact O-N 2.89Å; L214-L217 PolarHBondContact O-N 3.11Å; L214-E218 PolarHBondContact O-N 3.32Å; L214-E218 VanDerWaalsContact O-N 3.07Å
215	E	93.5	Very high	91.4	Very high	140 Å²	140	58.9 Å²	58.9	65%	0.654	28%	0.279	S	S	*	.	H	α-helix	trans	-63.9	-45.8	176.1	-175	-173.8	168.5	0	0	110.8	D212 F213 E218 S219	D212-E215 PolarHBondContact O-N 3.43Å; F213-E215 VanDerWaalsContact C-N 3.34Å; F213-E215 PolarHBondContact O-N 2.78Å; E215-E218 PolarHBondContact O-N 3.09Å; E215-S219 WeakPolarHBondContact O-CB 3.29Å; E215-S219 PolarHBondContact O-N 3.36Å
216	Q	94.6	Very high	91	Very high	45 Å²	45	64.7 Å²	64.7	21%	0.21	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-38.2	178.3	-64.4	-54.4	-33.4	0	0	111.9	I193 R205 A207 D212 F213 S219 A220	I193-Q216 HydrophobicContact CD1-CB 3.93Å; R205-Q216 HydrophobicContact CB-CB 3.99Å; R205-Q216 WeakPolarHBondContact CG-O 3.26Å; A207-Q216 HydrophobicContact CB-CB 4.38Å; A207-Q216 HydrophobicContact CB-CG 4.45Å; D212-Q216 WeakPolarHBondContact O-CG 3.32Å; D212-Q216 PolarHBondContact O-N 3.33Å; D212-Q216 VanDerWaalsContact O-N 3.14Å; F213-Q216 PolarHBondContact O-N 3.49Å; Q216-S219 WeakPolarHBondContact O-CB 3.41Å; Q216-S219 PolarHBondContact O-N 3.02Å; Q216-A220 WeakPolarHBondContact O-CB 3.3Å; Q216-A220 PolarHBondContact O-N 2.92Å
217	L	93.7	Very high	90.2	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-48.9	176.2	179.4	61.6	0	0	0	111.8	L180 I193 F213 L214 S219 A220 R221 M233	L180-L217 HydrophobicContact CB-CD2 4.41Å; L180-L217 HydrophobicContact CD1-CD1 3.98Å; L180-L217 HydrophobicContact CD1-CD2 3.9Å; I193-L217 HydrophobicContact CD1-CB 4.02Å; I193-L217 HydrophobicContact CG2-CD1 3.86Å; F213-L217 HydrophobicContact CE1-CB 4.44Å; F213-L217 HydrophobicContact CE1-CD2 3.98Å; F213-L217 WeakPolarHBondContact O-CB 3.49Å; F213-L217 PolarHBondContact O-N 3.48Å; L214-L217 PolarHBondContact O-N 3.11Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 3.36Å; L217-A220 PolarHBondContact O-N 3.49Å; L217-R221 PolarHBondContact O-N 3.25Å; L217-M233 HydrophobicContact CD1-CB 4.19Å; L217-M233 HydrophobicContact CD1-CG 3.81Å
218	E	91.9	Very high	89.5	Confident	66 Å²	66	67.1 Å²	67.1	31%	0.308	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-32.4	178.4	-73.4	-56.9	130.6	0	0	112.4	L214 E215 R221 R222	L214-E218 PolarHBondContact O-N 3.32Å; L214-E218 VanDerWaalsContact O-N 3.07Å; E215-E218 PolarHBondContact O-N 3.09Å; E218-R221 IonicContact OE1-CZ 2.64Å; E218-R221 IonicContact OE1-NH1 3.93Å; E218-R221 PolarHBondContact OE1-NH1 3.13Å; E218-R222 WeakPolarHBondContact O-CG 3.22Å; E218-R222 PolarHBondContact O-N 3.44Å; E218-R222 VanDerWaalsContact O-N 3.11Å; E218-R222 PolarHBondContact O-NE 3.5Å
219	S	90.1	Very high	88.9	Confident	27 Å²	27	66.9 Å²	66.9	19%	0.189	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-47	170.3	-167.4	0	0	0	0	111.7	R205 E215 Q216 L217 R222 E223	R205-S219 PolarHBondContact NE-OG 2.63Å; R205-S219 PolarHBondContact NH2-OG 3.35Å; E215-S219 WeakPolarHBondContact O-CB 3.29Å; E215-S219 PolarHBondContact O-N 3.36Å; Q216-S219 WeakPolarHBondContact O-CB 3.41Å; Q216-S219 PolarHBondContact O-N 3.02Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-S219 PolarHBondContact O-N 3.36Å; S219-R222 PolarHBondContact O-N 3.38Å; S219-E223 PolarHBondContact O-N 3.3Å
220	A	89.8	Confident	88.3	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-45.3	178.1	0	0	0	0	0	112.2	I193 R205 Q216 L217 R222 E223 A224 M233	I193-A220 HydrophobicContact CG2-CB 3.9Å; R205-A220 HydrophobicContact CB-CB 4.33Å; R205-A220 HydrophobicContact CG-CB 3.86Å; Q216-A220 WeakPolarHBondContact O-CB 3.3Å; Q216-A220 PolarHBondContact O-N 2.92Å; L217-A220 PolarHBondContact O-N 3.49Å; A220-R222 PolarHBondContact O-N 3.41Å; A220-E223 PolarHBondContact O-N 3.34Å; A220-A224 WeakPolarHBondContact O-CB 3.46Å; A220-A224 PolarHBondContact O-N 2.79Å; A220-M233 HydrophobicContact CB-SD 4.02Å
221	R	90.4	Very high	87.9	Confident	20 Å²	20	65.4 Å²	65.4	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-43.9	177.1	-78.2	178.7	170.2	160.2	0.4	113.2	Q175 N177 L217 E218 E223 A224 R225 D231 M233	Q175-R221 PolarHBondContact O-NH2 3.36Å; N177-R221 PolarHBondContact OD1-NH1 3.03Å; N177-R221 PolarHBondContact OD1-NH2 3.24Å; L217-R221 PolarHBondContact O-N 3.25Å; E218-R221 IonicContact OE1-CZ 2.64Å; E218-R221 IonicContact OE1-NH1 3.93Å; E218-R221 PolarHBondContact OE1-NH1 3.13Å; R221-E223 VanDerWaalsContact C-N 3.3Å; R221-E223 PolarHBondContact O-N 3.48Å; R221-A224 PolarHBondContact O-N 3.27Å; R221-R225 WeakPolarHBondContact O-CB 3.43Å; R221-R225 WeakPolarHBondContact O-CG 3.06Å; R221-R225 PolarHBondContact O-N 3.25Å; R221-D231 HydrophobicContact CG-CB 4.39Å; R221-M233 HydrophobicContact CG-CE 3.98Å; R221-M233 HydrophobicContact CG-CG 3.95Å; R221-M233 HydrophobicContact CG-SD 4.3Å
222	R	87.8	Confident	87.6	Confident	159 Å²	159	62.5 Å²	62.5	60%	0.6	30%	0.299	S	S	*	.	H	α-helix	trans	-60	-43	177.7	-78.3	-176.2	-67.2	175.3	-1.1	111.6	E218 S219 A220 K226	E218-R222 WeakPolarHBondContact O-CG 3.22Å; E218-R222 PolarHBondContact O-N 3.44Å; E218-R222 VanDerWaalsContact O-N 3.11Å; E218-R222 PolarHBondContact O-NE 3.5Å; S219-R222 PolarHBondContact O-N 3.38Å; A220-R222 PolarHBondContact O-N 3.41Å; R222-K226 WeakPolarHBondContact O-CB 3.33Å; R222-K226 PolarHBondContact O-N 3.18Å; R222-K226 VanDerWaalsContact O-N 3.13Å
223	E	83.7	Confident	87.4	Confident	50 Å²	50	60.9 Å²	60.9	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-41	177.7	-169.5	178	156.8	0	0	112.1	K202 G203 R205 S219 A220 R221 K226 S227	K202-E223 VanDerWaalsContact CA-OE1 3.32Å; K202-E223 WeakPolarHBondContact CA-OE1 3.32Å; G203-E223 PolarHBondContact N-OE1 3.44Å; R205-E223 IonicContact CZ-OE2 2.66Å; R205-E223 IonicContact NH1-OE2 2.91Å; R205-E223 PolarHBondContact NH1-OE2 3.49Å; R205-E223 IonicContact NH2-OE2 3.43Å; R205-E223 PolarHBondContact NH2-OE2 3.32Å; S219-E223 PolarHBondContact O-N 3.3Å; A220-E223 PolarHBondContact O-N 3.34Å; R221-E223 VanDerWaalsContact C-N 3.3Å; R221-E223 PolarHBondContact O-N 3.48Å; E223-K226 PolarHBondContact O-N 3.1Å; E223-S227 VanDerWaalsContact O-CB 3.27Å; E223-S227 WeakPolarHBondContact O-CB 3.45Å; E223-S227 PolarHBondContact O-N 3.48Å; E223-S227 PolarHBondContact O-OG 3.47Å
224	A	83.6	Confident	87.1	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-44.4	178.4	0	0	0	0	0	112.6	A195 A220 R221 K226 S227 F228 N229 D230 M233	A195-A224 HydrophobicContact CB-CB 3.71Å; A220-A224 WeakPolarHBondContact O-CB 3.46Å; A220-A224 PolarHBondContact O-N 2.79Å; R221-A224 PolarHBondContact O-N 3.27Å; A224-K226 VanDerWaalsContact C-N 3.32Å; A224-K226 PolarHBondContact O-N 2.97Å; A224-S227 PolarHBondContact O-N 2.93Å; A224-F228 WeakPolarHBondContact O-CA 3.34Å; A224-F228 PolarHBondContact O-N 3.43Å; A224-N229 PolarHBondContact O-N 3.49Å; A224-D230 CarbonylContact C-O 3.53Å; A224-D230 WeakPolarHBondContact CB-O 3.15Å; A224-M233 HydrophobicContact CB-CE 3.49Å; A224-M233 VanDerWaalsContact CB-CE 3.49Å
225	R	84.9	Confident	87	Confident	114 Å²	114	57.8 Å²	57.8	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-58.6	-45.2	173.8	-72.9	179.9	-173.3	143.1	3.1	111.2	R221 S227 N229 D230 D231	R221-R225 WeakPolarHBondContact O-CB 3.43Å; R221-R225 WeakPolarHBondContact O-CG 3.06Å; R221-R225 PolarHBondContact O-N 3.25Å; R225-S227 VanDerWaalsContact C-N 3.32Å; R225-S227 PolarHBondContact O-N 2.78Å; R225-N229 WeakPolarHBondContact O-CA 3.24Å; R225-N229 PolarHBondContact O-N 3.36Å; R225-N229 VanDerWaalsContact O-N 3.08Å; R225-D230 PolarHBondContact N-O 2.93Å; R225-D231 HydrophobicContact CG-CB 3.76Å; R225-D231 IonicContact CZ-OD2 3.38Å; R225-D231 IonicContact NE-OD2 3.51Å; R225-D231 PolarHBondContact NE-OD2 3.35Å; R225-D231 IonicContact NH2-OD2 2.89Å; R225-D231 PolarHBondContact NH2-OD2 3.11Å
226	K	82	Confident	86.9	Confident	191 Å²	191	51.4 Å²	51.4	83%	0.83	24%	0.244	S	C	*	.	H	α-helix	trans	-63.6	-37.3	178.7	-175.2	-179.8	176.5	-174.2	0	112.5	R222 E223 A224	R222-K226 WeakPolarHBondContact O-CB 3.33Å; R222-K226 PolarHBondContact O-N 3.18Å; R222-K226 VanDerWaalsContact O-N 3.13Å; E223-K226 PolarHBondContact O-N 3.1Å; A224-K226 VanDerWaalsContact C-N 3.32Å; A224-K226 PolarHBondContact O-N 2.97Å
227	S	75.1	Confident	86.8	Confident	55 Å²	55	52.6 Å²	52.6	39%	0.385	25%	0.248	S	C	.	.	H	α-helix	trans	-93.7	-33.3	-170.9	-53.3	0	0	0	0	113.6	E223 A224 R225	E223-S227 VanDerWaalsContact O-CB 3.27Å; E223-S227 WeakPolarHBondContact O-CB 3.45Å; E223-S227 PolarHBondContact O-N 3.48Å; E223-S227 PolarHBondContact O-OG 3.47Å; A224-S227 PolarHBondContact O-N 2.93Å; R225-S227 VanDerWaalsContact C-N 3.32Å; R225-S227 PolarHBondContact O-N 2.78Å
228	F	77.6	Confident	86.6	Confident	59 Å²	59	54.3 Å²	54.3	26%	0.259	26%	0.256	S	S	.	.	H	α-helix	trans	-132.5	-1.6	-167.1	-50.7	-60.5	0	0	0	113.7	R197 G198 K202 A224 D230	R197-F228 HydrophobicContact CB-CB 4.18Å; R197-F228 HydrophobicContact CB-CG 4.44Å; R197-F228 VanDerWaalsContact O-CD2 3.25Å; R197-F228 WeakPolarHBondContact O-CD2 3.31Å; R197-F228 WeakPolarHBondContact O-CE2 3.1Å; G198-F228 VanDerWaalsContact CA-CE1 3.48Å; K202-F228 HydrophobicContact CB-CE2 4.16Å; K202-F228 HydrophobicContact CB-CZ 3.97Å; A224-F228 WeakPolarHBondContact O-CA 3.34Å; A224-F228 PolarHBondContact O-N 3.43Å; F228-D230 HydrophobicContact CB-CB 4.39Å; F228-D230 PolarHBondContact O-N 3.29Å
229	N	82.3	Confident	86.4	Confident	150 Å²	150	52 Å²	52	80%	0.802	25%	0.247	S	C	*	.	S	Bend	trans	50.6	38.3	-173.2	-162.7	43.6	0	0	0	112.4	A224 R225	A224-N229 PolarHBondContact O-N 3.49Å; R225-N229 WeakPolarHBondContact O-CA 3.24Å; R225-N229 PolarHBondContact O-N 3.36Å; R225-N229 VanDerWaalsContact O-N 3.08Å
230	D	81.3	Confident	86.2	Confident	23 Å²	23	56 Å²	56	12%	0.123	26%	0.262	C	S	.	.			trans	-141.9	140.3	-178.7	-170.1	-9.2	0	0	0	108.5	R197 A224 R225 F228 V232	R197-D230 HydrophobicContact CB-CB 4.44Å; R197-D230 WeakPolarHBondContact CD-OD2 3.32Å; R197-D230 HydrophobicContact CG-CB 4.48Å; R197-D230 WeakPolarHBondContact CG-OD2 3.4Å; R197-D230 IonicContact CZ-OD2 3.99Å; R197-D230 IonicContact NE-OD2 2.78Å; R197-D230 PolarHBondContact NE-OD2 3.02Å; R197-D230 VanDerWaalsContact NE-OD2 3.08Å; A224-D230 CarbonylContact C-O 3.53Å; A224-D230 WeakPolarHBondContact CB-O 3.15Å; R225-D230 PolarHBondContact N-O 2.93Å; F228-D230 HydrophobicContact CB-CB 4.39Å; F228-D230 PolarHBondContact O-N 3.29Å; D230-V232 WeakPolarHBondContact OD1-CB 3.34Å; D230-V232 VanDerWaalsContact OD1-CG2 3.29Å; D230-V232 WeakPolarHBondContact OD1-CG2 3.46Å; D230-V232 PolarHBondContact OD1-N 3.47Å
231	D	85.9	Confident	86	Confident	60 Å²	60	60.2 Å²	60.2	32%	0.321	29%	0.285	S	S	.	.			trans	-122.8	9.3	178.5	68.6	-8.9	0	0	0	114.2	R221 R225 M233	R221-D231 HydrophobicContact CG-CB 4.39Å; R225-D231 HydrophobicContact CG-CB 3.76Å; R225-D231 IonicContact CZ-OD2 3.38Å; R225-D231 IonicContact NE-OD2 3.51Å; R225-D231 PolarHBondContact NE-OD2 3.35Å; R225-D231 IonicContact NH2-OD2 2.89Å; R225-D231 PolarHBondContact NH2-OD2 3.11Å; D231-M233 WeakPolarHBondContact O-CE 3.15Å; D231-M233 PolarHBondContact O-N 3.25Å
232	V	88.8	Confident	86.1	Confident	51 Å²	51	60 Å²	60	31%	0.309	29%	0.286	S	S	.	.			trans	-71.2	127.5	173.9	-173.6	0	0	0	0	110	Q175 V196 D230	Q175-V232 HydrophobicContact CG-CG1 4.09Å; V196-V232 HydrophobicContact CB-CB 4.33Å; V196-V232 HydrophobicContact CB-CG1 4.31Å; V196-V232 HydrophobicContact CG2-CB 3.95Å; V196-V232 HydrophobicContact CG2-CG1 3.47Å; V196-V232 VanDerWaalsContact CG2-CG1 3.47Å; V196-V232 PolarHBondContact N-O 3.48Å; D230-V232 WeakPolarHBondContact OD1-CB 3.34Å; D230-V232 VanDerWaalsContact OD1-CG2 3.29Å; D230-V232 WeakPolarHBondContact OD1-CG2 3.46Å; D230-V232 PolarHBondContact OD1-N 3.47Å
233	M	89.6	Confident	86.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.7	-174.9	-62.1	-66.5	124.1	0	0	112.2	Q175 I193 K194 A195 L217 A220 R221 A224 D231	Q175-M233 PolarHBondContact NE2-O 3.29Å; Q175-M233 VanDerWaalsContact NE2-O 3.07Å; Q175-M233 PolarHBondContact OE1-O 3.35Å; I193-M233 HydrophobicContact CG2-CB 4.34Å; I193-M233 HydrophobicContact CG2-CG 4.37Å; I193-M233 HydrophobicContact CG2-SD 4.11Å; K194-M233 CarbonylContact O-C 3.58Å; K194-M233 WeakPolarHBondContact O-CA 3.14Å; A195-M233 HydrophobicContact CB-CE 3.97Å; A195-M233 HydrophobicContact CB-SD 4.49Å; L217-M233 HydrophobicContact CD1-CB 4.19Å; L217-M233 HydrophobicContact CD1-CG 3.81Å; A220-M233 HydrophobicContact CB-SD 4.02Å; R221-M233 HydrophobicContact CG-CE 3.98Å; R221-M233 HydrophobicContact CG-CG 3.95Å; R221-M233 HydrophobicContact CG-SD 4.3Å; A224-M233 HydrophobicContact CB-CE 3.49Å; A224-M233 VanDerWaalsContact CB-CE 3.49Å; D231-M233 WeakPolarHBondContact O-CE 3.15Å; D231-M233 PolarHBondContact O-N 3.25Å
234	L	88.9	Confident	87.1	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.8	169	-54.3	178.8	0	0	0	108.3	H171 I193 K194 V196	H171-L234 HydrophobicContact CB-CD2 3.83Å; H171-L234 WeakPolarHBondContact ND1-CD2 3.34Å; I193-L234 WeakPolarHBondContact CA-O 3.45Å; K194-L234 HydrophobicContact CB-CB 4.48Å; K194-L234 PolarHBondContact N-O 2.91Å; K194-L234 PolarHBondContact O-N 2.79Å; V196-L234 HydrophobicContact CG2-CD1 4.28Å; V196-L234 HydrophobicContact CG2-CD2 3.56Å; V196-L234 HydrophobicContact CG2-CG 3.67Å
235	V	91.4	Very high	87.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.7	172.7	-177.1	0	0	0	0	108.2	G169 Y170 L180 A184 I187 V191 F213	G169-V235 CarbonylContact C-O 3.59Å; G169-V235 WeakPolarHBondContact CA-O 3.36Å; Y170-V235 PolarHBondContact N-O 2.85Å; Y170-V235 PolarHBondContact O-N 3.36Å; Y170-V235 VanDerWaalsContact O-N 3.13Å; L180-V235 HydrophobicContact CB-CG2 4.45Å; L180-V235 HydrophobicContact CD2-CG2 4.02Å; A184-V235 HydrophobicContact CB-CG1 3.98Å; I187-V235 HydrophobicContact CD1-CB 4.3Å; I187-V235 HydrophobicContact CD1-CG1 3.88Å; V191-V235 HydrophobicContact CB-CG1 4Å; V191-V235 HydrophobicContact CG1-CG1 4.38Å; V191-V235 HydrophobicContact CG2-CG1 3.99Å; F213-V235 HydrophobicContact CE2-CG1 4.35Å; F213-V235 HydrophobicContact CE2-CG2 4.27Å; F213-V235 HydrophobicContact CZ-CG2 4.07Å
236	E	91.3	Very high	88.4	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.033	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.6	-176	-71.2	168.7	-163.7	0	0	110.5	K156 I167 H171 V191 M192 K194 F238	K156-E236 IonicContact NZ-OE1 2.71Å; K156-E236 PolarHBondContact NZ-OE1 3.26Å; K156-E236 IonicContact NZ-OE2 2.7Å; K156-E236 PolarHBondContact NZ-OE2 2.78Å; I167-E236 HydrophobicContact CG2-CB 4.01Å; I167-E236 HydrophobicContact CG2-CG 3.86Å; I167-E236 WeakPolarHBondContact CG2-OE2 3.38Å; H171-E236 IonicContact CE1-OE1 3.74Å; H171-E236 PolarHBondContact CE1-OE1 2.79Å; V191-E236 CarbonylContact C-O 3.53Å; V191-E236 VanDerWaalsContact CA-O 3.25Å; V191-E236 WeakPolarHBondContact CA-O 3.3Å; V191-E236 VanDerWaalsContact CB-O 3.32Å; V191-E236 WeakPolarHBondContact CB-O 3.24Å; M192-E236 PolarHBondContact N-O 3.09Å; M192-E236 PolarHBondContact O-N 3.35Å; K194-E236 WeakPolarHBondContact CE-OE2 3.38Å; K194-E236 IonicContact NZ-OE2 3.49Å; K194-E236 PolarHBondContact NZ-OE2 3.21Å; E236-F238 PolarHBondContact O-N 3.25Å
237	K	92	Very high	89.2	Confident	70 Å²	70	37.4 Å²	37.4	30%	0.304	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	134.5	169.1	-175.6	58.8	178.5	167.4	0	108.9	I167 G168 I187 G188 F189	I167-K237 HydrophobicContact CD1-CB 4.4Å; I167-K237 WeakPolarHBondContact CD1-O 3.29Å; I167-K237 HydrophobicContact CG1-CB 4.01Å; G168-K237 PolarHBondContact O-N 3.25Å; I187-K237 HydrophobicContact CG2-CB 3.8Å; I187-K237 HydrophobicContact CG2-CD 4.07Å; G188-K237 WeakPolarHBondContact O-CD 3.15Å; G188-K237 PolarHBondContact O-NZ 3.05Å; F189-K237 PolarHBondContact O-NZ 2.95Å
238	F	90.4	Very high	90.4	Very high	35 Å²	35	34.8 Å²	34.8	15%	0.154	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-84.2	127.9	170.7	-176.6	-111.3	0	0	0	109.1	P190 M192 I206 E236 E240	P190-F238 HydrophobicContact CB-CB 3.99Å; P190-F238 HydrophobicContact CB-CD1 4.05Å; P190-F238 HydrophobicContact CB-CG 4.4Å; P190-F238 HydrophobicContact CG-CB 4.08Å; P190-F238 HydrophobicContact CG-CD1 3.81Å; P190-F238 HydrophobicContact CG-CG 4.42Å; P190-F238 WeakPolarHBondContact O-CB 3.36Å; P190-F238 PolarHBondContact O-N 3.37Å; P190-F238 VanDerWaalsContact O-N 3.1Å; M192-F238 HydrophobicContact CB-CD2 4.27Å; M192-F238 HydrophobicContact CE-CD2 3.31Å; M192-F238 HydrophobicContact CE-CE2 3.33Å; I206-F238 HydrophobicContact CD1-CD2 4.19Å; I206-F238 HydrophobicContact CD1-CE1 4.36Å; I206-F238 HydrophobicContact CD1-CE2 3.49Å; I206-F238 VanDerWaalsContact CD1-CE2 3.49Å; I206-F238 HydrophobicContact CD1-CZ 3.6Å; I206-F238 HydrophobicContact CG1-CD2 4.08Å; I206-F238 HydrophobicContact CG1-CE2 3.87Å; I206-F238 HydrophobicContact CG1-CZ 4.36Å; I206-F238 HydrophobicContact CG2-CD1 4.28Å; I206-F238 HydrophobicContact CG2-CD2 4.32Å; I206-F238 HydrophobicContact CG2-CE1 4.5Å; I206-F238 HydrophobicContact CG2-CG 4.19Å; E236-F238 PolarHBondContact O-N 3.25Å; F238-E240 HydrophobicContact CD1-CG 3.85Å; F238-E240 HydrophobicContact CE1-CG 3.87Å
239	V	88.5	Confident	91.4	Very high	19 Å²	19	32 Å²	32	12%	0.115	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-93	120	170.3	-174.7	0	0	0	0	107.3	I167 P242 I313 D315 Y321	I167-V239 HydrophobicContact CD1-CG2 3.68Å; V239-P242 HydrophobicContact CB-CB 4.24Å; V239-P242 HydrophobicContact CG1-CB 3.92Å; V239-P242 WeakPolarHBondContact O-CD 3.2Å; V239-I313 HydrophobicContact CB-CG2 3.91Å; V239-I313 HydrophobicContact CG1-CG2 4.14Å; V239-I313 HydrophobicContact CG2-CG2 3.85Å; V239-D315 HydrophobicContact CG1-CB 3.68Å; V239-Y321 HydrophobicContact CG2-CD2 4.41Å
240	E	85.8	Confident	92.2	Very high	111 Å²	111	24.9 Å²	24.9	52%	0.519	13%	0.125	S	C	.	.	S	Bend	trans	-77.4	140.4	176.6	-64	-169.4	128.3	0	0	110.5	P190 R208 F238	P190-E240 HydrophobicContact CG-CG 4.35Å; R208-E240 IonicContact NH1-OE1 3.33Å; F238-E240 HydrophobicContact CD1-CG 3.85Å; F238-E240 HydrophobicContact CE1-CG 3.87Å
241	D	84.4	Confident	93	Very high	88 Å²	88	23.8 Å²	23.8	47%	0.471	12%	0.119	S	C	.	.	S	Bend	trans	39.9	54.4	-178	-64.2	-47.3	0	0	0	114.7	S476 Q480	D241-S476 PolarHBondContact OD1-OG 3Å; D241-Q480 PolarHBondContact OD1-NE2 3.28Å
242	P	93.3	Very high	93.5	Very high	16 Å²	16	21 Å²	21	10%	0.104	11%	0.105	C	C	.	.			trans	-71.9	155.2	-174.3	28.9	-30.9	0	0	0	111.6	V239 I313 M314 S474 T475	V239-P242 HydrophobicContact CB-CB 4.24Å; V239-P242 HydrophobicContact CG1-CB 3.92Å; V239-P242 WeakPolarHBondContact O-CD 3.2Å; P242-I313 HydrophobicContact CB-CG2 3.49Å; P242-I313 VanDerWaalsContact CB-CG2 3.49Å; P242-I313 HydrophobicContact CG-CG2 4.35Å; P242-M314 WeakPolarHBondContact CA-O 3.21Å; P242-S474 CarbonylContact O-C 3.45Å; P242-S474 WeakPolarHBondContact O-CA 3.45Å; P242-T475 HydrophobicContact CG-CG2 4.4Å; P242-T475 WeakPolarHBondContact CG-OG1 3.35Å; P242-T475 PolarHBondContact O-N 3.28Å; P242-T475 PolarHBondContact O-OG1 2.83Å
243	R	95.9	Very high	93.9	Very high	24 Å²	24	23.6 Å²	23.6	9%	0.091	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.4	160.9	-71	172.6	64.1	-178.3	4.4	109.9	V245 D264 S266 P281 M314 V473	R243-V245 HydrophobicContact CB-CG2 3.98Å; R243-V245 PolarHBondContact O-N 3.44Å; R243-D264 IonicContact CZ-OD2 2.88Å; R243-D264 IonicContact NE-OD2 3.61Å; R243-D264 PolarHBondContact NE-OD2 2.87Å; R243-D264 IonicContact NH2-OD2 3.88Å; R243-D264 PolarHBondContact NH2-OD2 3.5Å; R243-S266 WeakPolarHBondContact CA-OG 3.35Å; R243-S266 WeakPolarHBondContact CB-OG 3.44Å; R243-P281 VanDerWaalsContact CZ-O 3.22Å; R243-P281 PolarHBondContact NH1-O 2.99Å; R243-P281 PolarHBondContact NH2-O 3.1Å; R243-M314 HydrophobicContact CB-CB 4.26Å; R243-M314 PolarHBondContact N-O 3.02Å; R243-M314 PolarHBondContact O-N 3.43Å; R243-V473 WeakPolarHBondContact CG-O 3.35Å
244	H	96.8	Very high	94.2	Very high	14 Å²	14	27.7 Å²	27.7	7%	0.065	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	101.9	169.2	-172.1	158.7	0	0	0	107.1	C265 S266 E311 T475	H244-C265 PolarHBondContact O-N 2.77Å; H244-S266 PolarHBondContact N-OG 2.62Å; H244-E311 IonicContact CE1-OE1 2.62Å; H244-E311 IonicContact CE1-OE2 3.71Å; H244-E311 PolarHBondContact CE1-OE2 2.9Å; H244-E311 VanDerWaalsContact CE1-OE2 3.26Å; H244-E311 IonicContact NE2-OE1 3.49Å; H244-E311 IonicContact NE2-OE2 2.63Å; H244-E311 PolarHBondContact NE2-OE2 2.82Å; H244-E311 VanDerWaalsContact NE2-OE2 3.15Å; H244-T475 HydrophobicContact CB-CG2 3.98Å
245	V	97.8	Very high	94.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.3	179.6	-176.8	0	0	0	0	108.7	R243 E262 R263 I283 L291 F312 M314	R243-V245 HydrophobicContact CB-CG2 3.98Å; R243-V245 PolarHBondContact O-N 3.44Å; V245-E262 HydrophobicContact CG1-CB 3.84Å; V245-E262 HydrophobicContact CG1-CG 3.77Å; V245-R263 CarbonylContact C-O 3.49Å; V245-R263 WeakPolarHBondContact CA-O 3.33Å; V245-I283 HydrophobicContact CG1-CD1 4.03Å; V245-I283 HydrophobicContact CG2-CD1 4.25Å; V245-L291 HydrophobicContact CG1-CD2 3.64Å; V245-F312 PolarHBondContact N-O 2.71Å; V245-F312 CarbonylContact O-C 3.42Å; V245-F312 VanDerWaalsContact O-CA 3.31Å; V245-F312 WeakPolarHBondContact O-CA 3.33Å; V245-F312 WeakPolarHBondContact O-CB 3.26Å; V245-F312 PolarHBondContact O-N 3.5Å; V245-M314 HydrophobicContact CB-CE 4.37Å; V245-M314 HydrophobicContact CG1-CE 4.34Å; V245-M314 HydrophobicContact CG2-CB 3.97Å; V245-M314 HydrophobicContact CG2-CE 4.15Å; V245-M314 HydrophobicContact CG2-SD 4.14Å
246	E	98.3	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.8	-176.7	63.6	175.5	-150.2	0	0	111.6	E262 R263 C265 K273 T309 V310 E311 E332	E246-E262 CarbonylContact O-C 3.59Å; E246-E262 WeakPolarHBondContact O-CA 3.48Å; E246-E262 WeakPolarHBondContact O-CB 3.42Å; E246-R263 HydrophobicContact CG-CB 3.87Å; E246-R263 PolarHBondContact N-O 3.5Å; E246-R263 PolarHBondContact O-N 2.76Å; E246-R263 IonicContact OE1-CZ 3.5Å; E246-R263 IonicContact OE1-NE 3.48Å; E246-R263 PolarHBondContact OE1-NE 3Å; E246-R263 IonicContact OE1-NH2 3.11Å; E246-R263 PolarHBondContact OE1-NH2 3.36Å; E246-C265 VanDerWaalsContact CD-SG 3.57Å; E246-K273 IonicContact OE1-NZ 2.74Å; E246-K273 IonicContact OE2-NZ 3.17Å; E246-K273 PolarHBondContact OE2-NZ 2.78Å; E246-T309 HydrophobicContact CB-CG2 3.6Å; E246-T309 HydrophobicContact CG-CG2 3.94Å; E246-V310 CarbonylContact C-O 3.42Å; E246-V310 WeakPolarHBondContact CA-O 3.39Å; E246-E311 HydrophobicContact CB-CB 4.42Å; E246-E311 HydrophobicContact CB-CG 3.97Å; E246-E332 VanDerWaalsContact OE1-CG 3.3Å; E246-E332 WeakPolarHBondContact OE1-CG 3.37Å
247	V	98.8	Very high	95.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.6	-178.8	179.8	0	0	0	0	110.2	V249 Y259 E262 L291 A295 T309 V310 F312	V247-V249 HydrophobicContact CG1-CG1 4.27Å; V247-V249 PolarHBondContact O-N 3.49Å; V247-Y259 HydrophobicContact CG1-CG 4.47Å; V247-E262 HydrophobicContact CG2-CB 4.15Å; V247-L291 HydrophobicContact CG2-CB 4.49Å; V247-L291 HydrophobicContact CG2-CD2 3.62Å; V247-L291 HydrophobicContact CG2-CG 3.54Å; V247-A295 HydrophobicContact CB-CB 3.61Å; V247-A295 HydrophobicContact CG1-CB 3.52Å; V247-A295 HydrophobicContact CG2-CB 4.11Å; V247-T309 WeakPolarHBondContact O-CA 3.33Å; V247-V310 PolarHBondContact N-O 2.92Å; V247-V310 PolarHBondContact O-N 3.01Å; V247-F312 HydrophobicContact CB-CE2 4.48Å; V247-F312 HydrophobicContact CG2-CD2 4.3Å; V247-F312 HydrophobicContact CG2-CE2 4Å
248	Q	98.8	Very high	95.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122.4	168.1	-175.3	57.7	58.7	0	0	109.4	Y259 L260 F261 G308 L344	Q248-Y259 CarbonylContact O-C 3.45Å; Q248-Y259 WeakPolarHBondContact O-CA 3.41Å; Q248-L260 HydrophobicContact CB-CB 3.96Å; Q248-L260 HydrophobicContact CG-CB 3.88Å; Q248-L260 HydrophobicContact CG-CD1 3.77Å; Q248-L260 HydrophobicContact CG-CG 4.41Å; Q248-L260 PolarHBondContact O-N 2.83Å; Q248-F261 PolarHBondContact N-O 2.89Å; Q248-G308 PolarHBondContact NE2-O 3.19Å; Q248-L344 HydrophobicContact CG-CD1 3.79Å
249	V	98.7	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	154.6	170.2	-65.1	0	0	0	0	110.8	V247 V258 A295 A299 G308 V310 M325	V247-V249 HydrophobicContact CG1-CG1 4.27Å; V247-V249 PolarHBondContact O-N 3.49Å; V249-V258 CarbonylContact C-O 3.5Å; V249-V258 WeakPolarHBondContact CA-O 3.44Å; V249-A295 HydrophobicContact CG1-CB 3.58Å; V249-A299 HydrophobicContact CB-CB 4.31Å; V249-A299 HydrophobicContact CG2-CB 4.17Å; V249-G308 WeakPolarHBondContact CG2-O 3.36Å; V249-G308 PolarHBondContact N-O 2.63Å; V249-G308 PolarHBondContact O-N 2.8Å; V249-G308 VanDerWaalsContact O-O 3.13Å; V249-V310 HydrophobicContact CG1-CG2 4.17Å; V249-V310 HydrophobicContact CG2-CG2 4.17Å; V249-M325 HydrophobicContact CG2-CE 3.79Å
250	F	98.7	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	122.6	174.9	-140.8	-68.5	0	0	0	110.1	A257 V258 L260 G306 A307 L344 W347 Q348 V351 L357	F250-A257 CarbonylContact O-C 3.6Å; F250-A257 VanDerWaalsContact O-CA 3.23Å; F250-A257 WeakPolarHBondContact O-CA 3.36Å; F250-V258 HydrophobicContact CB-CG2 4.06Å; F250-V258 PolarHBondContact N-O 3.01Å; F250-V258 PolarHBondContact O-N 2.81Å; F250-L260 HydrophobicContact CB-CD1 3.93Å; F250-L260 HydrophobicContact CD2-CD1 4.47Å; F250-G306 WeakPolarHBondContact CA-O 3.44Å; F250-G306 WeakPolarHBondContact CD1-O 3.48Å; F250-A307 HydrophobicContact CD2-CB 4.07Å; F250-A307 HydrophobicContact CE2-CB 3.68Å; F250-A307 HydrophobicContact CZ-CB 4.25Å; F250-L344 HydrophobicContact CD2-CD2 4.04Å; F250-L344 HydrophobicContact CE2-CB 4.25Å; F250-L344 HydrophobicContact CE2-CD2 4.2Å; F250-L344 WeakPolarHBondContact CE2-O 3.34Å; F250-W347 HydrophobicContact CB-CE3 4.18Å; F250-W347 HydrophobicContact CB-CZ3 4.3Å; F250-W347 HydrophobicContact CD1-CE3 4.11Å; F250-W347 HydrophobicContact CD2-CB 4.33Å; F250-W347 AromaticContact CD2-CE3 3.86Å; F250-W347 HydrophobicContact CD2-CE3 3.86Å; F250-W347 HydrophobicContact CE1-CB 3.84Å; F250-W347 HydrophobicContact CE2-CB 3.6Å; F250-W347 HydrophobicContact CE2-CE3 4.28Å; F250-W347 AromaticContact CG-CE3 3.76Å; F250-W347 HydrophobicContact CG-CE3 3.76Å; F250-W347 HydrophobicContact CG-CZ3 4.37Å; F250-W347 VanDerWaalsContact CZ-C 3.48Å; F250-W347 HydrophobicContact CZ-CB 3.34Å; F250-Q348 HydrophobicContact CE2-CG 4.07Å; F250-Q348 HydrophobicContact CZ-CB 4.24Å; F250-Q348 HydrophobicContact CZ-CG 3.59Å; F250-V351 HydrophobicContact CD1-CG2 4.45Å; F250-V351 HydrophobicContact CE1-CB 4.3Å; F250-V351 HydrophobicContact CE1-CG2 3.91Å; F250-L357 HydrophobicContact CB-CD2 4.35Å; F250-L357 HydrophobicContact CD1-CD2 3.64Å; F250-L357 HydrophobicContact CE1-CD2 4.44Å; F250-L357 HydrophobicContact CG-CD2 4.35Å
251	G	98.4	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.1	177.1	0	0	0	0	0	112.3	N256 G306 V351	G251-N256 CarbonylContact C-O 3.58Å; G251-N256 VanDerWaalsContact CA-O 3.29Å; G251-N256 WeakPolarHBondContact CA-O 3.49Å; G251-G306 PolarHBondContact N-O 2.89Å; G251-G306 PolarHBondContact O-N 3.31Å; G251-V351 WeakPolarHBondContact O-CG1 3.28Å
252	D	97.9	Very high	97.7	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.011	12%	0.119	C	C	.	.			trans	-114.2	170.2	170	71.4	19.4	0	0	0	113.1	H254 G255 N256 V351 R356 L357	D252-H254 PolarHBondContact O-N 3.26Å; D252-H254 VanDerWaalsContact O-N 3.11Å; D252-H254 VanDerWaalsContact OD1-CA 3.29Å; D252-H254 WeakPolarHBondContact OD1-CA 3.38Å; D252-H254 WeakPolarHBondContact OD1-CB 3.41Å; D252-H254 PolarHBondContact OD1-N 3.06Å; D252-G255 PolarHBondContact O-N 3.46Å; D252-G255 PolarHBondContact OD1-N 3.44Å; D252-N256 PolarHBondContact N-O 2.84Å; D252-N256 WeakPolarHBondContact OD1-CB 3.34Å; D252-N256 PolarHBondContact OD1-N 2.9Å; D252-N256 PolarHBondContact OD1-ND2 2.85Å; D252-N256 WeakPolarHBondContact OD2-CB 3.38Å; D252-N256 PolarHBondContact OD2-ND2 2.94Å; D252-V351 HydrophobicContact CB-CG1 4.05Å; D252-V351 HydrophobicContact CB-CG2 3.97Å; D252-R356 WeakPolarHBondContact OD2-CA 3.31Å; D252-L357 HydrophobicContact CB-CD2 4.11Å; D252-L357 HydrophobicContact CB-CG 3.94Å; D252-L357 PolarHBondContact OD2-N 2.94Å
253	M	95.9	Very high	97.9	Very high	106 Å²	106	20.4 Å²	20.4	52%	0.522	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-2.7	177.8	-62	-175.7	-179	0	0	113.6	V305	M253-V305 HydrophobicContact CG-CG1 3.95Å; M253-V305 HydrophobicContact CG-CG2 4.41Å
254	H	96.8	Very high	98	Very high	86 Å²	86	19.4 Å²	19.4	40%	0.398	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	8.7	-177.4	-55.2	-95.6	0	0	0	111.9	D252 N256 G354 R356	D252-H254 PolarHBondContact O-N 3.26Å; D252-H254 VanDerWaalsContact O-N 3.11Å; D252-H254 VanDerWaalsContact OD1-CA 3.29Å; D252-H254 WeakPolarHBondContact OD1-CA 3.38Å; D252-H254 WeakPolarHBondContact OD1-CB 3.41Å; D252-H254 PolarHBondContact OD1-N 3.06Å; H254-N256 VanDerWaalsContact C-N 3.3Å; H254-G354 PolarHBondContact NE2-O 3.45Å; H254-R356 HydrophobicContact CB-CG 4.31Å; H254-R356 VanDerWaalsContact CD2-CG 3.46Å; H254-R356 WeakPolarHBondContact CD2-CG 3.34Å
255	G	95.8	Very high	98.1	Very high	53 Å²	53	18.7 Å²	18.7	55%	0.546	11%	0.107	S	C	.	.	S	Bend	trans	79.9	7.9	179.8	0	0	0	0	0	114.2	D252	D252-G255 PolarHBondContact O-N 3.46Å; D252-G255 PolarHBondContact OD1-N 3.44Å
256	N	97.9	Very high	98	Very high	71 Å²	71	18.7 Å²	18.7	38%	0.38	11%	0.107	S	C	.	.			trans	-81.2	145.1	172.7	-51.9	-61.8	0	0	0	109.6	G251 D252 H254 L357	G251-N256 CarbonylContact C-O 3.58Å; G251-N256 VanDerWaalsContact CA-O 3.29Å; G251-N256 WeakPolarHBondContact CA-O 3.49Å; D252-N256 PolarHBondContact N-O 2.84Å; D252-N256 WeakPolarHBondContact OD1-CB 3.34Å; D252-N256 PolarHBondContact OD1-N 2.9Å; D252-N256 PolarHBondContact OD1-ND2 2.85Å; D252-N256 WeakPolarHBondContact OD2-CB 3.38Å; D252-N256 PolarHBondContact OD2-ND2 2.94Å; H254-N256 VanDerWaalsContact C-N 3.3Å; N256-L357 HydrophobicContact CB-CD1 3.81Å; N256-L357 HydrophobicContact CB-CG 4.32Å
257	A	98.4	Very high	97.9	Very high	15 Å²	15	18.9 Å²	18.9	12%	0.124	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	139.6	172.5	0	0	0	0	0	110.3	F250 V296 A299 K300	F250-A257 CarbonylContact O-C 3.6Å; F250-A257 VanDerWaalsContact O-CA 3.23Å; F250-A257 WeakPolarHBondContact O-CA 3.36Å; A257-V296 HydrophobicContact CB-CG1 4.09Å; A257-A299 HydrophobicContact CB-CB 4.41Å; A257-K300 HydrophobicContact CB-CG 3.98Å
258	V	98.8	Very high	97.7	Very high	8 Å²	8	20 Å²	20	5%	0.048	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.6	178	-62.7	0	0	0	0	110.4	V249 F250 L260 W347 L357 Q361 I364	V249-V258 CarbonylContact C-O 3.5Å; V249-V258 WeakPolarHBondContact CA-O 3.44Å; F250-V258 HydrophobicContact CB-CG2 4.06Å; F250-V258 PolarHBondContact N-O 3.01Å; F250-V258 PolarHBondContact O-N 2.81Å; V258-L260 HydrophobicContact CG2-CD1 4.44Å; V258-W347 HydrophobicContact CG2-CZ3 4.02Å; V258-L357 HydrophobicContact CB-CD1 4.39Å; V258-L357 HydrophobicContact CG1-CD1 3.84Å; V258-L357 HydrophobicContact CG2-CD1 3.93Å; V258-Q361 HydrophobicContact CG1-CB 4.28Å; V258-I364 HydrophobicContact CB-CD1 3.8Å; V258-I364 HydrophobicContact CG1-CD1 4.31Å; V258-I364 HydrophobicContact CG2-CD1 3.72Å
259	Y	98.8	Very high	97.3	Very high	25 Å²	25	20.7 Å²	20.7	10%	0.098	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.6	168.7	67.7	-90.3	0	0	0	111.5	V247 Q248 F261 G292 V296 Q361	V247-Y259 HydrophobicContact CG1-CG 4.47Å; Q248-Y259 CarbonylContact O-C 3.45Å; Q248-Y259 WeakPolarHBondContact O-CA 3.41Å; Y259-F261 HydrophobicContact CE2-CD1 4.19Å; Y259-F261 HydrophobicContact CE2-CE1 4.34Å; Y259-G292 WeakPolarHBondContact CD1-O 3.47Å; Y259-G292 VanDerWaalsContact CG-CA 3.48Å; Y259-V296 HydrophobicContact CD1-CG2 3.74Å; Y259-V296 HydrophobicContact CG-CG2 4.38Å; Y259-Q361 VanDerWaalsContact CD1-CD 3.4Å; Y259-Q361 HydrophobicContact CD1-CG 4.4Å; Y259-Q361 HydrophobicContact CE1-CG 3.91Å; Y259-Q361 PolarHBondContact O-NE2 3.2Å
260	L	98.6	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	53.5	178.3	-60	100.9	0	0	0	110.7	Q248 F250 V258 T340 T342 L344 W347 I364	Q248-L260 HydrophobicContact CB-CB 3.96Å; Q248-L260 HydrophobicContact CG-CB 3.88Å; Q248-L260 HydrophobicContact CG-CD1 3.77Å; Q248-L260 HydrophobicContact CG-CG 4.41Å; Q248-L260 PolarHBondContact O-N 2.83Å; F250-L260 HydrophobicContact CB-CD1 3.93Å; F250-L260 HydrophobicContact CD2-CD1 4.47Å; V258-L260 HydrophobicContact CG2-CD1 4.44Å; L260-T340 HydrophobicContact CB-CG2 4.16Å; L260-T340 HydrophobicContact CD2-CG2 4.32Å; L260-T342 HydrophobicContact CD2-CG2 3.88Å; L260-T342 WeakPolarHBondContact CD2-OG1 3.01Å; L260-L344 HydrophobicContact CD1-CD2 4.19Å; L260-L344 HydrophobicContact CD2-CD2 3.78Å; L260-W347 HydrophobicContact CD1-CZ3 4.38Å; L260-W347 HydrophobicContact CD2-CH2 4.28Å; L260-W347 HydrophobicContact CD2-CZ3 4.27Å; L260-I364 HydrophobicContact CG-CD1 4.36Å
261	F	98.4	Very high	95.8	Very high	22 Å²	22	34 Å²	34	10%	0.096	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.1	-178.7	-177.1	-53.4	-71	0	0	0	114.4	Q248 Y259 R288 I339 T340 I364 L366	Q248-F261 PolarHBondContact N-O 2.89Å; Y259-F261 HydrophobicContact CE2-CD1 4.19Å; Y259-F261 HydrophobicContact CE2-CE1 4.34Å; F261-R288 HydrophobicContact CD1-CG 4.23Å; F261-I339 HydrophobicContact CB-CD1 4.17Å; F261-I339 HydrophobicContact CD2-CD1 4.44Å; F261-T340 HydrophobicContact CD2-CG2 3.82Å; F261-T340 HydrophobicContact CE2-CG2 4.09Å; F261-I364 HydrophobicContact CE2-CG2 3.84Å; F261-I364 HydrophobicContact CZ-CG2 4.44Å; F261-I364 WeakPolarHBondContact CZ-O 3.25Å; F261-L366 HydrophobicContact CD1-CB 4.44Å; F261-L366 HydrophobicContact CD1-CD2 4.48Å; F261-L366 HydrophobicContact CD2-CB 4.09Å; F261-L366 HydrophobicContact CD2-CD1 3.87Å; F261-L366 HydrophobicContact CE1-CB 3.98Å; F261-L366 HydrophobicContact CE2-CB 3.61Å; F261-L366 HydrophobicContact CE2-CD1 4.25Å; F261-L366 HydrophobicContact CG-CB 4.49Å; F261-L366 HydrophobicContact CG-CD1 4.05Å; F261-L366 HydrophobicContact CZ-CB 3.56Å
262	E	98.4	Very high	95.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	155.3	-178.5	84.3	-64.8	173.1	0	0	112.8	V245 E246 V247 P279 G280 I283 R288 L291	V245-E262 HydrophobicContact CG1-CB 3.84Å; V245-E262 HydrophobicContact CG1-CG 3.77Å; E246-E262 CarbonylContact O-C 3.59Å; E246-E262 WeakPolarHBondContact O-CA 3.48Å; E246-E262 WeakPolarHBondContact O-CB 3.42Å; V247-E262 HydrophobicContact CG2-CB 4.15Å; E262-P279 WeakPolarHBondContact OE1-CB 3.35Å; E262-G280 PolarHBondContact OE1-N 2.64Å; E262-I283 HydrophobicContact CG-CD1 3.89Å; E262-R288 IonicContact OE1-CZ 2.77Å; E262-R288 IonicContact OE1-NE 2.64Å; E262-R288 PolarHBondContact OE1-NE 3.39Å; E262-R288 IonicContact OE1-NH2 3.69Å; E262-R288 PolarHBondContact OE1-NH2 2.81Å; E262-R288 VanDerWaalsContact OE2-CD 3.24Å; E262-R288 WeakPolarHBondContact OE2-CD 3Å; E262-R288 VanDerWaalsContact OE2-CG 3.24Å; E262-R288 WeakPolarHBondContact OE2-CG 3.28Å; E262-R288 IonicContact OE2-CZ 3.16Å; E262-R288 IonicContact OE2-NE 3.7Å; E262-R288 PolarHBondContact OE2-NE 2.66Å; E262-L291 HydrophobicContact CB-CD2 3.73Å; E262-L291 HydrophobicContact CG-CD2 4.19Å
263	R	98.7	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.9	168	-54.3	-177.4	-71.9	-94.6	-2.2	108.7	V245 E246 E277 A278 T309 E332 V335 S336	V245-R263 CarbonylContact C-O 3.49Å; V245-R263 WeakPolarHBondContact CA-O 3.33Å; E246-R263 HydrophobicContact CG-CB 3.87Å; E246-R263 PolarHBondContact N-O 3.5Å; E246-R263 PolarHBondContact O-N 2.76Å; E246-R263 IonicContact OE1-CZ 3.5Å; E246-R263 IonicContact OE1-NE 3.48Å; E246-R263 PolarHBondContact OE1-NE 3Å; E246-R263 IonicContact OE1-NH2 3.11Å; E246-R263 PolarHBondContact OE1-NH2 3.36Å; R263-E277 CarbonylContact C-O 3.59Å; R263-E277 VanDerWaalsContact CA-O 3.23Å; R263-E277 WeakPolarHBondContact CA-O 3.3Å; R263-A278 HydrophobicContact CG-CB 4.03Å; R263-T309 VanDerWaalsContact NH2-CG2 3.31Å; R263-T309 PolarHBondContact NH2-OG1 2.88Å; R263-E332 WeakPolarHBondContact CD-O 3.4Å; R263-V335 HydrophobicContact CB-CG2 4.44Å; R263-V335 HydrophobicContact CG-CG2 3.75Å; R263-S336 WeakPolarHBondContact CD-OG 3.39Å; R263-S336 PolarHBondContact NH1-OG 3.39Å
264	D	98.3	Very high	95.3	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.2	167.7	-167.1	-44.6	0	0	0	109.3	R243 S266 E276 E277	R243-D264 IonicContact CZ-OD2 2.88Å; R243-D264 IonicContact NE-OD2 3.61Å; R243-D264 PolarHBondContact NE-OD2 2.87Å; R243-D264 IonicContact NH2-OD2 3.88Å; R243-D264 PolarHBondContact NH2-OD2 3.5Å; D264-S266 WeakPolarHBondContact OD1-CB 3.28Å; D264-S266 PolarHBondContact OD1-N 3.44Å; D264-S266 PolarHBondContact OD1-OG 3.46Å; D264-E276 WeakPolarHBondContact O-CA 3.46Å; D264-E277 HydrophobicContact CB-CG 3.97Å; D264-E277 PolarHBondContact N-O 2.78Å; D264-E277 PolarHBondContact O-N 2.66Å
265	C	97.4	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	24	-178.9	-56.4	0	0	0	0	111	H244 E246 V267 K273 E276	H244-C265 PolarHBondContact O-N 2.77Å; E246-C265 VanDerWaalsContact CD-SG 3.57Å; C265-V267 PolarHBondContact O-N 2.86Å; C265-K273 HydrophobicContact CB-CD 3.67Å; C265-K273 HydrophobicContact CB-CG 4.07Å; C265-E276 HydrophobicContact CB-CG 4.27Å
266	S	97.1	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	-32.2	-174.7	-57.5	0	0	0	0	112.3	R243 H244 D264 Q268 S474 T475	R243-S266 WeakPolarHBondContact CA-OG 3.35Å; R243-S266 WeakPolarHBondContact CB-OG 3.44Å; H244-S266 PolarHBondContact N-OG 2.62Å; D264-S266 WeakPolarHBondContact OD1-CB 3.28Å; D264-S266 PolarHBondContact OD1-N 3.44Å; D264-S266 PolarHBondContact OD1-OG 3.46Å; S266-Q268 PolarHBondContact O-N 3.19Å; S266-S474 VanDerWaalsContact O-O 3.13Å; S266-T475 VanDerWaalsContact O-CA 3.3Å; S266-T475 WeakPolarHBondContact O-CA 3.46Å
267	V	96.6	Very high	95.5	Very high	4 Å²	4	22 Å²	22	2%	0.024	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	93.2	178.7	-177.4	0	0	0	0	110	C265 I274 L462 F468 V473 F477 I478	C265-V267 PolarHBondContact O-N 2.86Å; V267-I274 HydrophobicContact CG1-CB 4.45Å; V267-I274 PolarHBondContact O-N 3.12Å; V267-L462 HydrophobicContact CG1-CD1 3.47Å; V267-L462 VanDerWaalsContact CG1-CD1 3.47Å; V267-L462 HydrophobicContact CG1-CD2 3.72Å; V267-L462 HydrophobicContact CG1-CG 4.2Å; V267-F468 HydrophobicContact CG2-CD2 3.93Å; V267-F468 HydrophobicContact CG2-CE2 3.75Å; V267-V473 HydrophobicContact CG2-CB 4.23Å; V267-V473 HydrophobicContact CG2-CG1 3.94Å; V267-F477 HydrophobicContact CG2-CD1 4.49Å; V267-F477 HydrophobicContact CG2-CG 4.45Å; V267-I478 HydrophobicContact CG1-CD1 4.21Å; V267-I478 HydrophobicContact CG1-CG1 4.37Å
268	Q	94.2	Very high	95.6	Very high	24 Å²	24	21.2 Å²	21.2	11%	0.112	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.2	-177.9	66.2	-176.7	6.4	0	0	111.7	S266 Q272	S266-Q268 PolarHBondContact O-N 3.19Å; Q268-Q272 CarbonylContact C-O 3.58Å; Q268-Q272 WeakPolarHBondContact CA-O 3.39Å; Q268-Q272 VanDerWaalsContact CB-O 3.28Å; Q268-Q272 WeakPolarHBondContact CB-O 3.27Å
269	R	90	Very high	95.5	Very high	15 Å²	15	21.6 Å²	21.6	6%	0.057	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.7	175.6	176.8	-104.6	171.2	164.5	4.9	109.1	H271 Q272 I274 D383 F384 I478	R269-H271 PolarHBondContact O-N 2.65Å; R269-H271 VanDerWaalsContact O-N 3.12Å; R269-Q272 PolarHBondContact N-O 2.86Å; R269-Q272 WeakPolarHBondContact O-CA 3.45Å; R269-Q272 WeakPolarHBondContact O-CB 3.37Å; R269-Q272 PolarHBondContact O-N 3.5Å; R269-I274 HydrophobicContact CB-CD1 4.23Å; R269-I274 HydrophobicContact CB-CG1 4.18Å; R269-D383 PolarHBondContact NH2-O 3.36Å; R269-D383 IonicContact NH2-OD1 2.93Å; R269-D383 PolarHBondContact NH2-OD1 3.28Å; R269-D383 VanDerWaalsContact NH2-OD1 3.13Å; R269-D383 IonicContact NH2-OD2 3.15Å; R269-F384 HydrophobicContact CG-CE2 4.42Å; R269-F384 VanDerWaalsContact NH1-CB 3.29Å; R269-I478 HydrophobicContact CB-CD1 3.98Å
270	R	82.9	Confident	95.5	Very high	169 Å²	169	20.5 Å²	20.5	64%	0.638	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	43.3	-178.7	-60.4	-177.9	179.8	163.5	3.2	112.8	Q272 D383	R270-Q272 VanDerWaalsContact C-N 3.29Å; R270-Q272 PolarHBondContact O-N 2.87Å; R270-D383 IonicContact CZ-OD1 3.26Å; R270-D383 IonicContact CZ-OD2 2.74Å; R270-D383 IonicContact NH1-OD1 2.68Å; R270-D383 IonicContact NH1-OD2 3.99Å; R270-D383 PolarHBondContact NH1-OD2 3.41Å; R270-D383 VanDerWaalsContact NH2-CG 3.25Å; R270-D383 IonicContact NH2-OD1 2.88Å; R270-D383 PolarHBondContact NH2-OD1 2.92Å; R270-D383 IonicContact NH2-OD2 2.71Å; R270-D383 PolarHBondContact NH2-OD2 2.89Å
271	H	82.6	Confident	95.4	Very high	109 Å²	109	21.1 Å²	21.1	51%	0.505	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	6.3	-176.2	-43.2	-68	0	0	0	116.6	G201 R269	G201-H271 WeakPolarHBondContact CA-NE2 3.23Å; R269-H271 PolarHBondContact O-N 2.65Å; R269-H271 VanDerWaalsContact O-N 3.12Å
272	Q	89.3	Confident	95.1	Very high	39 Å²	39	23.4 Å²	23.4	18%	0.182	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.4	169.5	-173.1	-179	7	0	0	109.3	Q268 R269 R270 Y376 E378	Q268-Q272 CarbonylContact C-O 3.58Å; Q268-Q272 WeakPolarHBondContact CA-O 3.39Å; Q268-Q272 VanDerWaalsContact CB-O 3.28Å; Q268-Q272 WeakPolarHBondContact CB-O 3.27Å; R269-Q272 PolarHBondContact N-O 2.86Å; R269-Q272 WeakPolarHBondContact O-CA 3.45Å; R269-Q272 WeakPolarHBondContact O-CB 3.37Å; R269-Q272 PolarHBondContact O-N 3.5Å; R270-Q272 VanDerWaalsContact C-N 3.29Å; R270-Q272 PolarHBondContact O-N 2.87Å; Q272-Y376 HydrophobicContact CG-CE2 4.49Å; Q272-Y376 VanDerWaalsContact NE2-CZ 3.31Å; Q272-E378 PolarHBondContact NE2-OE1 2.84Å
273	K	95.4	Very high	95	Very high	19 Å²	19	23.8 Å²	23.8	8%	0.083	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.6	176.4	-60.8	175.3	179.7	179	0	109.8	E246 C265 E276 E311 E332 R374	E246-K273 IonicContact OE1-NZ 2.74Å; E246-K273 IonicContact OE2-NZ 3.17Å; E246-K273 PolarHBondContact OE2-NZ 2.78Å; C265-K273 HydrophobicContact CB-CD 3.67Å; C265-K273 HydrophobicContact CB-CG 4.07Å; K273-E276 HydrophobicContact CB-CG 4.4Å; K273-E276 VanDerWaalsContact CB-OE1 3.24Å; K273-E276 WeakPolarHBondContact CB-OE1 3.35Å; K273-E311 IonicContact NZ-OE1 3.92Å; K273-E311 PolarHBondContact NZ-OE1 2.96Å; K273-E332 WeakPolarHBondContact CD-OE1 3.42Å; K273-E332 WeakPolarHBondContact CE-OE1 3.21Å; K273-E332 IonicContact NZ-OE1 3.84Å; K273-E332 PolarHBondContact NZ-OE1 3.23Å; K273-R374 WeakPolarHBondContact O-CD 3.45Å
274	I	96.9	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-54.1	-173.1	-60	-60.9	0	0	0	111.5	V267 R269 R374 F458 L459 I478	V267-I274 HydrophobicContact CG1-CB 4.45Å; V267-I274 PolarHBondContact O-N 3.12Å; R269-I274 HydrophobicContact CB-CD1 4.23Å; R269-I274 HydrophobicContact CB-CG1 4.18Å; I274-R374 PolarHBondContact O-N 3.33Å; I274-R374 VanDerWaalsContact O-N 3.12Å; I274-F458 HydrophobicContact CG2-CE1 3.89Å; I274-L459 HydrophobicContact CG2-CD2 3.47Å; I274-L459 VanDerWaalsContact CG2-CD2 3.47Å; I274-I478 HydrophobicContact CG1-CD1 4.16Å
275	I	98.3	Very high	94.9	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.6	173.1	-60.1	-168.5	0	0	0	108	F371 E372 A373 L440 L459 L462 F468	I275-F371 HydrophobicContact CG2-CD1 4Å; I275-E372 VanDerWaalsContact CA-O 3.3Å; I275-E372 WeakPolarHBondContact CA-O 3.3Å; I275-E372 WeakPolarHBondContact CG2-O 3.31Å; I275-A373 HydrophobicContact CG1-CB 4.34Å; I275-L440 HydrophobicContact CD1-CD2 4.36Å; I275-L459 HydrophobicContact CD1-CD2 3.94Å; I275-L459 HydrophobicContact CG1-CD2 3.71Å; I275-L462 HydrophobicContact CD1-CD2 3.76Å; I275-L462 HydrophobicContact CG1-CD2 4.39Å; I275-F468 HydrophobicContact CD1-CZ 4.5Å; I275-F468 HydrophobicContact CG2-CE2 4.35Å; I275-F468 HydrophobicContact CG2-CZ 3.78Å
276	E	98.6	Very high	94.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.2	176.1	-56.7	89.9	162.2	0	0	109.8	D264 C265 K273 E332 F371 E372 R374	D264-E276 WeakPolarHBondContact O-CA 3.46Å; C265-E276 HydrophobicContact CB-CG 4.27Å; K273-E276 HydrophobicContact CB-CG 4.4Å; K273-E276 VanDerWaalsContact CB-OE1 3.24Å; K273-E276 WeakPolarHBondContact CB-OE1 3.35Å; E276-E332 HydrophobicContact CB-CB 3.92Å; E276-E332 HydrophobicContact CB-CG 4.48Å; E276-E332 HydrophobicContact CG-CB 3.65Å; E276-E332 HydrophobicContact CG-CG 4.04Å; E276-F371 CarbonylContact O-C 3.24Å; E276-F371 WeakPolarHBondContact O-CA 3.48Å; E276-E372 PolarHBondContact N-O 3.14Å; E276-E372 PolarHBondContact O-N 2.98Å; E276-R374 IonicContact OE1-CZ 2.69Å; E276-R374 IonicContact OE1-NE 3.47Å; E276-R374 PolarHBondContact OE1-NE 2.79Å; E276-R374 IonicContact OE1-NH2 3.45Å; E276-R374 PolarHBondContact OE1-NH2 3.48Å; E276-R374 IonicContact OE2-NE 3.96Å
277	E	98.8	Very high	94.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.4	177.7	66.5	175.8	121.6	0	0	113	R263 D264 P281 H369 S370 F371 R433	R263-E277 CarbonylContact C-O 3.59Å; R263-E277 VanDerWaalsContact CA-O 3.23Å; R263-E277 WeakPolarHBondContact CA-O 3.3Å; D264-E277 HydrophobicContact CB-CG 3.97Å; D264-E277 PolarHBondContact N-O 2.78Å; D264-E277 PolarHBondContact O-N 2.66Å; E277-P281 VanDerWaalsContact CD-CD 3.49Å; E277-H369 IonicContact OE2-CE1 3.76Å; E277-H369 PolarHBondContact OE2-CE1 3.35Å; E277-H369 IonicContact OE2-NE2 3.8Å; E277-H369 PolarHBondContact OE2-NE2 3.44Å; E277-S370 CarbonylContact C-O 3.54Å; E277-S370 VanDerWaalsContact CA-O 3.27Å; E277-S370 WeakPolarHBondContact CA-O 3.39Å; E277-F371 HydrophobicContact CB-CD1 3.48Å; E277-F371 VanDerWaalsContact CB-CD1 3.48Å; E277-F371 HydrophobicContact CB-CE1 3.47Å; E277-F371 VanDerWaalsContact CB-CE1 3.47Å; E277-F371 HydrophobicContact CB-CG 4.32Å; E277-F371 HydrophobicContact CB-CZ 4.31Å; E277-F371 VanDerWaalsContact CD-CE1 3.47Å; E277-F371 HydrophobicContact CG-CD1 4.48Å; E277-F371 HydrophobicContact CG-CE1 4.06Å; E277-F371 WeakPolarHBondContact OE2-CE1 3.26Å; E277-F371 WeakPolarHBondContact OE2-CZ 3.33Å; E277-R433 IonicContact OE1-CZ 2.87Å; E277-R433 IonicContact OE1-NE 3.09Å; E277-R433 PolarHBondContact OE1-NE 3.48Å; E277-R433 IonicContact OE1-NH2 3.04Å; E277-R433 PolarHBondContact OE1-NH2 3.36Å; E277-R433 IonicContact OE2-CZ 3.52Å; E277-R433 IonicContact OE2-NE 2.67Å; E277-R433 PolarHBondContact OE2-NE 3.13Å; E277-R433 IonicContact OE2-NH2 2.76Å; E277-R433 PolarHBondContact OE2-NH2 2.91Å
278	A	98.8	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	134.6	176.3	0	0	0	0	0	110	R263 V335 I339 H369 S370	R263-A278 HydrophobicContact CG-CB 4.03Å; A278-V335 HydrophobicContact CB-CB 3.83Å; A278-V335 HydrophobicContact CB-CG2 3.67Å; A278-I339 HydrophobicContact CB-CD1 3.54Å; A278-I339 HydrophobicContact CB-CG1 4.35Å; A278-I339 HydrophobicContact CB-CG2 4.46Å; A278-I339 VanDerWaalsContact O-CG2 3.31Å; A278-I339 WeakPolarHBondContact O-CG2 3.41Å; A278-H369 CarbonylContact O-C 3.5Å; A278-H369 WeakPolarHBondContact O-CA 3.39Å; A278-S370 PolarHBondContact N-O 3.06Å; A278-S370 PolarHBondContact O-N 3.16Å
279	P	98.4	Very high	95.2	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.097	22%	0.22	C	C	.	.	S	Bend	cis	-68	169.8	-9.9	32.1	-36.9	0	0	0	112.4	E262 L366 H369	E262-P279 WeakPolarHBondContact OE1-CB 3.35Å; P279-L366 HydrophobicContact CB-CD1 4.27Å; P279-L366 HydrophobicContact CB-CD2 4.32Å; P279-L366 HydrophobicContact CG-CD1 4.23Å; P279-L366 HydrophobicContact CG-CD2 4.25Å; P279-H369 PolarHBondContact O-CE1 2.69Å
280	G	96.9	Very high	95.6	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.031	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.1	137	177.5	0	0	0	0	0	112.3	E262 R288	E262-G280 PolarHBondContact OE1-N 2.64Å; G280-R288 PolarHBondContact O-NH2 2.86Å
281	P	96.4	Very high	96.3	Very high	12 Å²	12	37.9 Å²	37.9	8%	0.078	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	140.8	-174.6	23.6	-33.1	0	0	0	112	R243 E277 I283 V473	R243-P281 VanDerWaalsContact CZ-O 3.22Å; R243-P281 PolarHBondContact NH1-O 2.99Å; R243-P281 PolarHBondContact NH2-O 3.1Å; E277-P281 VanDerWaalsContact CD-CD 3.49Å; P281-I283 PolarHBondContact O-N 3.1Å; P281-I283 VanDerWaalsContact O-N 3.09Å; P281-V473 HydrophobicContact CG-CG2 4.4Å
282	G	93.9	Very high	97	Very high	71 Å²	71	32.7 Å²	32.7	73%	0.732	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	-1.1	175.5	0	0	0	0	0	116.3	S284 H318	G282-S284 PolarHBondContact O-N 3.33Å; G282-H318 PolarHBondContact O-CE1 2.85Å
283	I	96.3	Very high	97.5	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.046	20%	0.195	C	C	.	.			trans	-78.4	120.7	177.8	-58.8	175.6	0	0	0	109.6	V245 E262 P281 V287 R288 M314	V245-I283 HydrophobicContact CG1-CD1 4.03Å; V245-I283 HydrophobicContact CG2-CD1 4.25Å; E262-I283 HydrophobicContact CG-CD1 3.89Å; P281-I283 PolarHBondContact O-N 3.1Å; P281-I283 VanDerWaalsContact O-N 3.09Å; I283-V287 HydrophobicContact CG2-CB 4.03Å; I283-V287 HydrophobicContact CG2-CG1 3.87Å; I283-R288 HydrophobicContact CG2-CB 4.07Å; I283-R288 PolarHBondContact O-NH1 2.99Å; I283-R288 PolarHBondContact O-NH2 2.85Å; I283-M314 HydrophobicContact CD1-CE 4.02Å; I283-M314 HydrophobicContact CD1-SD 4.13Å; I283-M314 HydrophobicContact CG1-CE 4.48Å; I283-M314 HydrophobicContact CG1-SD 4.19Å
284	S	96.7	Very high	97.6	Very high	47 Å²	47	33.5 Å²	33.5	33%	0.329	19%	0.191	S	C	.	.			trans	-69.4	154.7	179.8	76	0	0	0	0	111.9	G282 D286 V287 R288	G282-S284 PolarHBondContact O-N 3.33Å; S284-D286 PolarHBondContact O-N 3.47Å; S284-V287 PolarHBondContact O-N 3.06Å; S284-V287 WeakPolarHBondContact OG-CG2 3.26Å; S284-V287 PolarHBondContact OG-N 3.19Å; S284-R288 WeakPolarHBondContact O-CB 3.36Å; S284-R288 PolarHBondContact O-N 3.15Å
285	P	96.9	Very high	97.7	Very high	99 Å²	99	33.5 Å²	33.5	64%	0.643	19%	0.191	S	C	*	.	H	α-helix	trans	-54.2	-36.9	177	-27.8	36	0	0	0	113.9	R289	P285-R289 WeakPolarHBondContact O-CB 3.3Å; P285-R289 PolarHBondContact O-N 3.17Å
286	D	97.8	Very high	97.7	Very high	98 Å²	98	34.2 Å²	34.2	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-68.6	-44.1	178.5	-72.7	-53.5	0	0	0	113	S284 R289 K290	S284-D286 PolarHBondContact O-N 3.47Å; D286-R289 PolarHBondContact O-N 3.36Å; D286-K290 WeakPolarHBondContact O-CG 3.47Å; D286-K290 PolarHBondContact O-N 2.77Å
287	V	97.8	Very high	97.7	Very high	24 Å²	24	38.8 Å²	38.8	15%	0.145	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-44.8	176.3	173.7	0	0	0	0	109.6	I283 S284 R289 K290 L291 M314 H318	I283-V287 HydrophobicContact CG2-CB 4.03Å; I283-V287 HydrophobicContact CG2-CG1 3.87Å; S284-V287 PolarHBondContact O-N 3.06Å; S284-V287 WeakPolarHBondContact OG-CG2 3.26Å; S284-V287 PolarHBondContact OG-N 3.19Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.18Å; V287-K290 PolarHBondContact O-N 3.41Å; V287-L291 WeakPolarHBondContact O-CB 3.48Å; V287-L291 PolarHBondContact O-N 3.39Å; V287-M314 HydrophobicContact CG1-CE 4.18Å; V287-H318 HydrophobicContact CG1-CB 4.19Å; V287-H318 HydrophobicContact CG2-CB 4.33Å
288	R	97.8	Very high	97.7	Very high	29 Å²	29	38.6 Å²	38.6	11%	0.109	21%	0.211	C	C	.	.	H	α-helix	trans	-55.3	-47.3	176	176.2	170.9	-63	104.1	6.4	112.2	F261 E262 G280 I283 S284 L291 G292	F261-R288 HydrophobicContact CD1-CG 4.23Å; E262-R288 IonicContact OE1-CZ 2.77Å; E262-R288 IonicContact OE1-NE 2.64Å; E262-R288 PolarHBondContact OE1-NE 3.39Å; E262-R288 IonicContact OE1-NH2 3.69Å; E262-R288 PolarHBondContact OE1-NH2 2.81Å; E262-R288 VanDerWaalsContact OE2-CD 3.24Å; E262-R288 WeakPolarHBondContact OE2-CD 3Å; E262-R288 VanDerWaalsContact OE2-CG 3.24Å; E262-R288 WeakPolarHBondContact OE2-CG 3.28Å; E262-R288 IonicContact OE2-CZ 3.16Å; E262-R288 IonicContact OE2-NE 3.7Å; E262-R288 PolarHBondContact OE2-NE 2.66Å; G280-R288 PolarHBondContact O-NH2 2.86Å; I283-R288 HydrophobicContact CG2-CB 4.07Å; I283-R288 PolarHBondContact O-NH1 2.99Å; I283-R288 PolarHBondContact O-NH2 2.85Å; S284-R288 WeakPolarHBondContact O-CB 3.36Å; S284-R288 PolarHBondContact O-N 3.15Å; R288-L291 PolarHBondContact O-N 2.8Å; R288-G292 PolarHBondContact O-N 3.25Å
289	R	98.2	Very high	97.6	Very high	101 Å²	101	38.6 Å²	38.6	38%	0.381	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-46.9	176.3	-177.4	-178.3	59.1	77.8	1.4	111.6	P285 D286 V287 L291 G292 E293	P285-R289 WeakPolarHBondContact O-CB 3.3Å; P285-R289 PolarHBondContact O-N 3.17Å; D286-R289 PolarHBondContact O-N 3.36Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.18Å; R289-L291 VanDerWaalsContact C-N 3.31Å; R289-L291 PolarHBondContact O-N 3.26Å; R289-G292 PolarHBondContact O-N 3.27Å; R289-E293 WeakPolarHBondContact CD-OE1 3.5Å; R289-E293 HydrophobicContact CG-CG 4.33Å; R289-E293 WeakPolarHBondContact CG-OE1 3.05Å; R289-E293 IonicContact CZ-OE1 3.27Å; R289-E293 VanDerWaalsContact NH1-CD 3.33Å; R289-E293 IonicContact NH1-OE1 2.77Å; R289-E293 PolarHBondContact NH1-OE1 2.94Å; R289-E293 IonicContact NH1-OE2 2.98Å; R289-E293 PolarHBondContact NH1-OE2 3.39Å; R289-E293 VanDerWaalsContact NH1-OE2 3.16Å; R289-E293 WeakPolarHBondContact O-CB 3.28Å; R289-E293 VanDerWaalsContact O-CG 3.3Å; R289-E293 WeakPolarHBondContact O-CG 3.45Å; R289-E293 PolarHBondContact O-N 2.96Å
290	K	98.3	Very high	97.6	Very high	112 Å²	112	43.1 Å²	43.1	49%	0.487	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-41.1	177.8	-73	174.4	-178.4	178.5	0	112.2	D286 V287 A294 F320	D286-K290 WeakPolarHBondContact O-CG 3.47Å; D286-K290 PolarHBondContact O-N 2.77Å; V287-K290 PolarHBondContact O-N 3.41Å; K290-A294 WeakPolarHBondContact O-CB 3.28Å; K290-A294 PolarHBondContact O-N 3.08Å; K290-F320 HydrophobicContact CB-CE1 4.14Å; K290-F320 HydrophobicContact CB-CZ 4.07Å
291	L	97.9	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-48.8	177	-169.6	75	0	0	0	110.6	V245 V247 E262 V287 R288 R289 A294 A295 F312 M314 F320	V245-L291 HydrophobicContact CG1-CD2 3.64Å; V247-L291 HydrophobicContact CG2-CB 4.49Å; V247-L291 HydrophobicContact CG2-CD2 3.62Å; V247-L291 HydrophobicContact CG2-CG 3.54Å; E262-L291 HydrophobicContact CB-CD2 3.73Å; E262-L291 HydrophobicContact CG-CD2 4.19Å; V287-L291 WeakPolarHBondContact O-CB 3.48Å; V287-L291 PolarHBondContact O-N 3.39Å; R288-L291 PolarHBondContact O-N 2.8Å; R289-L291 VanDerWaalsContact C-N 3.31Å; R289-L291 PolarHBondContact O-N 3.26Å; L291-A294 PolarHBondContact O-N 2.65Å; L291-A295 PolarHBondContact O-N 2.77Å; L291-F312 HydrophobicContact CD1-CB 4.17Å; L291-F312 HydrophobicContact CD1-CD1 4.1Å; L291-F312 HydrophobicContact CD1-CD2 3.58Å; L291-F312 HydrophobicContact CD1-CE1 4.4Å; L291-F312 HydrophobicContact CD1-CE2 3.9Å; L291-F312 HydrophobicContact CD1-CG 3.69Å; L291-F312 HydrophobicContact CD1-CZ 4.3Å; L291-F312 HydrophobicContact CG-CD2 4.24Å; L291-F312 HydrophobicContact CG-CE2 4.31Å; L291-M314 HydrophobicContact CD2-CE 4.39Å; L291-F320 HydrophobicContact CB-CE1 4.38Å; L291-F320 HydrophobicContact CB-CZ 4.43Å; L291-F320 HydrophobicContact CD1-CB 3.83Å; L291-F320 HydrophobicContact CD1-CD1 3.86Å; L291-F320 HydrophobicContact CD1-CD2 3.47Å; L291-F320 VanDerWaalsContact CD1-CD2 3.47Å; L291-F320 HydrophobicContact CD1-CE1 4.27Å; L291-F320 HydrophobicContact CD1-CE2 3.9Å; L291-F320 HydrophobicContact CD1-CG 3.43Å; L291-F320 VanDerWaalsContact CD1-CG 3.43Å; L291-F320 HydrophobicContact CD1-CZ 4.28Å
292	G	98.4	Very high	97.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-46.4	176.2	0	0	0	0	0	113.5	Y259 R288 R289 A294 A295 V296	Y259-G292 WeakPolarHBondContact CD1-O 3.47Å; Y259-G292 VanDerWaalsContact CG-CA 3.48Å; R288-G292 PolarHBondContact O-N 3.25Å; R289-G292 PolarHBondContact O-N 3.27Å; G292-A294 VanDerWaalsContact C-N 3.32Å; G292-A294 PolarHBondContact O-N 2.96Å; G292-A295 PolarHBondContact O-N 2.99Å; G292-V296 PolarHBondContact O-N 3.04Å
293	E	98.5	Very high	97.8	Very high	75 Å²	75	47.3 Å²	47.3	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-38.1	176.3	-73.4	169.8	-174.9	0	0	112.1	R289 V296 R297	R289-E293 WeakPolarHBondContact CD-OE1 3.5Å; R289-E293 HydrophobicContact CG-CG 4.33Å; R289-E293 WeakPolarHBondContact CG-OE1 3.05Å; R289-E293 IonicContact CZ-OE1 3.27Å; R289-E293 VanDerWaalsContact NH1-CD 3.33Å; R289-E293 IonicContact NH1-OE1 2.77Å; R289-E293 PolarHBondContact NH1-OE1 2.94Å; R289-E293 IonicContact NH1-OE2 2.98Å; R289-E293 PolarHBondContact NH1-OE2 3.39Å; R289-E293 VanDerWaalsContact NH1-OE2 3.16Å; R289-E293 WeakPolarHBondContact O-CB 3.28Å; R289-E293 VanDerWaalsContact O-CG 3.3Å; R289-E293 WeakPolarHBondContact O-CG 3.45Å; R289-E293 PolarHBondContact O-N 2.96Å; E293-V296 PolarHBondContact O-N 3.1Å; E293-R297 WeakPolarHBondContact O-CG 3.37Å; E293-R297 PolarHBondContact O-N 3.07Å; E293-R297 PolarHBondContact O-NH1 3.29Å
294	A	98.5	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-42.5	174.4	0	0	0	0	0	111.5	K290 L291 G292 V296 R297 A298 F312 F320	K290-A294 WeakPolarHBondContact O-CB 3.28Å; K290-A294 PolarHBondContact O-N 3.08Å; L291-A294 PolarHBondContact O-N 2.65Å; G292-A294 VanDerWaalsContact C-N 3.32Å; G292-A294 PolarHBondContact O-N 2.96Å; A294-V296 PolarHBondContact O-N 2.94Å; A294-R297 PolarHBondContact O-N 3.12Å; A294-A298 PolarHBondContact O-N 2.83Å; A294-F312 HydrophobicContact CB-CZ 4.28Å; A294-F320 HydrophobicContact CB-CE2 3.98Å; A294-F320 HydrophobicContact CB-CZ 4.48Å
295	A	98.6	Very high	98	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-38.9	176.2	0	0	0	0	0	112.5	V247 V249 L291 G292 A298 A299 V310 F312	V247-A295 HydrophobicContact CB-CB 3.61Å; V247-A295 HydrophobicContact CG1-CB 3.52Å; V247-A295 HydrophobicContact CG2-CB 4.11Å; V249-A295 HydrophobicContact CG1-CB 3.58Å; L291-A295 PolarHBondContact O-N 2.77Å; G292-A295 PolarHBondContact O-N 2.99Å; A295-A298 WeakPolarHBondContact O-CB 3.3Å; A295-A298 PolarHBondContact O-N 3.21Å; A295-A299 PolarHBondContact O-N 3.01Å; A295-V310 HydrophobicContact CB-CB 3.95Å; A295-V310 HydrophobicContact CB-CG1 4.49Å; A295-V310 HydrophobicContact CB-CG2 3.92Å; A295-F312 HydrophobicContact CB-CE2 4.21Å; A295-F312 HydrophobicContact CB-CZ 4.43Å
296	V	98.6	Very high	98	Very high	18 Å²	18	41.4 Å²	41.4	11%	0.109	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-38.9	173.9	169.9	0	0	0	0	111.6	A257 Y259 G292 E293 A294 A298 A299 K300	A257-V296 HydrophobicContact CB-CG1 4.09Å; Y259-V296 HydrophobicContact CD1-CG2 3.74Å; Y259-V296 HydrophobicContact CG-CG2 4.38Å; G292-V296 PolarHBondContact O-N 3.04Å; E293-V296 PolarHBondContact O-N 3.1Å; A294-V296 PolarHBondContact O-N 2.94Å; V296-A298 VanDerWaalsContact C-N 3.34Å; V296-A299 PolarHBondContact O-N 3.16Å; V296-K300 HydrophobicContact CG1-CD 4.14Å; V296-K300 HydrophobicContact CG1-CG 4.43Å; V296-K300 WeakPolarHBondContact O-CB 3.45Å; V296-K300 WeakPolarHBondContact O-CG 3.19Å; V296-K300 PolarHBondContact O-N 2.87Å
297	R	98.4	Very high	98	Very high	96 Å²	96	36.7 Å²	36.7	36%	0.362	18%	0.175	S	C	.	.	H	α-helix	trans	-61.6	-43.3	172.8	-72.7	-167.4	-55.7	-81.2	6.7	111.5	G163 V164 E293 A294 K300 A301	G163-R297 PolarHBondContact O-NE 3.26Å; G163-R297 PolarHBondContact O-NH2 3.38Å; V164-R297 HydrophobicContact CG2-CB 4.3Å; E293-R297 WeakPolarHBondContact O-CG 3.37Å; E293-R297 PolarHBondContact O-N 3.07Å; E293-R297 PolarHBondContact O-NH1 3.29Å; A294-R297 PolarHBondContact O-N 3.12Å; R297-K300 PolarHBondContact O-N 3.12Å; R297-A301 WeakPolarHBondContact O-CB 3.49Å; R297-A301 PolarHBondContact O-N 2.84Å
298	A	97.9	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-50.9	174.6	0	0	0	0	0	111.7	M159 V164 A294 A295 V296 K300 A301 V310	M159-A298 HydrophobicContact CE-CB 4.12Å; M159-A298 HydrophobicContact SD-CB 3.31Å; M159-A298 WeakPolarHBondContact SD-CB 3.37Å; V164-A298 HydrophobicContact CG2-CB 4.03Å; A294-A298 PolarHBondContact O-N 2.83Å; A295-A298 WeakPolarHBondContact O-CB 3.3Å; A295-A298 PolarHBondContact O-N 3.21Å; V296-A298 VanDerWaalsContact C-N 3.34Å; A298-K300 PolarHBondContact O-N 2.89Å; A298-A301 WeakPolarHBondContact O-CB 3.21Å; A298-A301 PolarHBondContact O-N 3.21Å; A298-V310 HydrophobicContact CB-CG1 4.26Å; A298-V310 HydrophobicContact CB-CG2 4.05Å
299	A	98.1	Very high	98.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-43.8	178.4	0	0	0	0	0	112.4	V249 A257 A295 V296 A301 V302 N303 Y304 M325	V249-A299 HydrophobicContact CB-CB 4.31Å; V249-A299 HydrophobicContact CG2-CB 4.17Å; A257-A299 HydrophobicContact CB-CB 4.41Å; A295-A299 PolarHBondContact O-N 3.01Å; V296-A299 PolarHBondContact O-N 3.16Å; A299-A301 VanDerWaalsContact C-N 3.34Å; A299-A301 PolarHBondContact O-N 3.01Å; A299-V302 WeakPolarHBondContact O-CG2 3.36Å; A299-V302 PolarHBondContact O-N 3.08Å; A299-N303 PolarHBondContact O-N 3.09Å; A299-Y304 WeakPolarHBondContact O-CB 3.49Å; A299-Y304 PolarHBondContact O-N 3.43Å; A299-M325 HydrophobicContact CB-CE 4.21Å
300	K	98.1	Very high	98.1	Very high	110 Å²	110	29.4 Å²	29.4	48%	0.478	15%	0.145	S	C	.	.	H	α-helix	trans	-66.2	-34.8	178.3	-74.1	-177	175.7	-175.2	0	112.9	A257 V296 R297 A298 V302 N303	A257-K300 HydrophobicContact CB-CG 3.98Å; V296-K300 HydrophobicContact CG1-CD 4.14Å; V296-K300 HydrophobicContact CG1-CG 4.43Å; V296-K300 WeakPolarHBondContact O-CB 3.45Å; V296-K300 WeakPolarHBondContact O-CG 3.19Å; V296-K300 PolarHBondContact O-N 2.87Å; R297-K300 PolarHBondContact O-N 3.12Å; A298-K300 PolarHBondContact O-N 2.89Å; K300-V302 PolarHBondContact O-N 2.73Å; K300-V302 VanDerWaalsContact O-N 3.16Å; K300-N303 PolarHBondContact O-N 3.44Å; K300-N303 VanDerWaalsContact O-N 3.14Å
301	A	97.6	Very high	98	Very high	43 Å²	43	24.4 Å²	24.4	36%	0.355	12%	0.124	S	C	.	.	H	α-helix	trans	-61	-25.2	-179.2	0	0	0	0	0	113.4	I158 A162 R297 A298 A299	I158-A301 HydrophobicContact CG2-CB 3.83Å; A162-A301 HydrophobicContact CB-CB 3.63Å; R297-A301 WeakPolarHBondContact O-CB 3.49Å; R297-A301 PolarHBondContact O-N 2.84Å; A298-A301 WeakPolarHBondContact O-CB 3.21Å; A298-A301 PolarHBondContact O-N 3.21Å; A299-A301 VanDerWaalsContact C-N 3.34Å; A299-A301 PolarHBondContact O-N 3.01Å
302	V	96.8	Very high	98	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	11.9	180	-59.2	0	0	0	0	113.1	A145 D148 M149 I158 M159 A299 K300 Y304 M325	A145-V302 HydrophobicContact CB-CB 4.19Å; A145-V302 HydrophobicContact CB-CG2 4.14Å; D148-V302 HydrophobicContact CB-CG1 4.43Å; M149-V302 HydrophobicContact CE-CG1 3.48Å; M149-V302 VanDerWaalsContact CE-CG1 3.48Å; M149-V302 HydrophobicContact CG-CG1 4.45Å; M149-V302 HydrophobicContact SD-CG1 4.06Å; I158-V302 HydrophobicContact CD1-CG1 4.44Å; I158-V302 HydrophobicContact CG2-CG1 3.89Å; M159-V302 HydrophobicContact CE-CG1 4.26Å; A299-V302 WeakPolarHBondContact O-CG2 3.36Å; A299-V302 PolarHBondContact O-N 3.08Å; K300-V302 PolarHBondContact O-N 2.73Å; K300-V302 VanDerWaalsContact O-N 3.16Å; V302-Y304 VanDerWaalsContact C-N 3.25Å; V302-Y304 HydrophobicContact CG2-CD2 3.91Å; V302-Y304 HydrophobicContact CG2-CG 4.41Å; V302-Y304 PolarHBondContact O-N 3.44Å; V302-M325 HydrophobicContact CG2-SD 4.45Å
303	N	97.2	Very high	97.8	Very high	128 Å²	128	25.9 Å²	25.9	68%	0.684	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	46.9	-174.8	-56.4	-62.4	0	0	0	112.3	A299 K300	A299-N303 PolarHBondContact O-N 3.09Å; K300-N303 PolarHBondContact O-N 3.44Å; K300-N303 VanDerWaalsContact O-N 3.14Å
304	Y	98	Very high	97.7	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.027	11%	0.114	C	C	.	.			trans	-64.6	143.6	-172.7	-158.1	-91	0	0	0	112.4	P141 A145 A299 V302 A307 G308 M325 T327 R328	P141-Y304 HydrophobicContact CB-CD2 3.95Å; P141-Y304 HydrophobicContact CB-CE1 4.17Å; P141-Y304 HydrophobicContact CB-CE2 3.55Å; P141-Y304 HydrophobicContact CB-CG 4.42Å; P141-Y304 HydrophobicContact CG-CE1 4.49Å; P141-Y304 HydrophobicContact CG-CE2 3.81Å; A145-Y304 HydrophobicContact CB-CD2 4.18Å; A299-Y304 WeakPolarHBondContact O-CB 3.49Å; A299-Y304 PolarHBondContact O-N 3.43Å; V302-Y304 VanDerWaalsContact C-N 3.25Å; V302-Y304 HydrophobicContact CG2-CD2 3.91Å; V302-Y304 HydrophobicContact CG2-CG 4.41Å; V302-Y304 PolarHBondContact O-N 3.44Å; Y304-A307 WeakPolarHBondContact CE1-O 3.29Å; Y304-A307 PolarHBondContact OH-O 2.88Å; Y304-G308 WeakPolarHBondContact OH-CA 3.34Å; Y304-M325 HydrophobicContact CD1-CE 4Å; Y304-M325 HydrophobicContact CD2-CE 3.31Å; Y304-M325 HydrophobicContact CD2-SD 4.07Å; Y304-M325 HydrophobicContact CE1-CE 4.12Å; Y304-M325 HydrophobicContact CE2-CE 3.44Å; Y304-M325 VanDerWaalsContact CE2-CE 3.44Å; Y304-M325 HydrophobicContact CE2-SD 4.22Å; Y304-M325 HydrophobicContact CG-CE 3.6Å; Y304-T327 HydrophobicContact CE2-CG2 3.86Å; Y304-T327 WeakPolarHBondContact OH-CA 3.29Å; Y304-R328 PolarHBondContact OH-N 3Å
305	V	98	Very high	97.4	Very high	20 Å²	20	23.2 Å²	23.2	12%	0.121	12%	0.119	C	C	.	.			trans	-131.8	143.7	178.8	-179	0	0	0	0	109.9	G140 P141 M253 V351	G140-V305 CarbonylContact C-O 3.45Å; P141-V305 WeakPolarHBondContact CA-O 3.48Å; P141-V305 VanDerWaalsContact N-O 3.15Å; M253-V305 HydrophobicContact CG-CG1 3.95Å; M253-V305 HydrophobicContact CG-CG2 4.41Å; V305-V351 HydrophobicContact CG1-CG1 3.57Å
306	G	97.7	Very high	96.9	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-161	-178.2	0	0	0	0	0	112.7	F250 G251	F250-G306 WeakPolarHBondContact CA-O 3.44Å; F250-G306 WeakPolarHBondContact CD1-O 3.48Å; G251-G306 PolarHBondContact N-O 2.89Å; G251-G306 PolarHBondContact O-N 3.31Å
307	A	98.1	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.7	177.5	0	0	0	0	0	111	F250 Y304 R328 L329 Q348	F250-A307 HydrophobicContact CD2-CB 4.07Å; F250-A307 HydrophobicContact CE2-CB 3.68Å; F250-A307 HydrophobicContact CZ-CB 4.25Å; Y304-A307 WeakPolarHBondContact CE1-O 3.29Å; Y304-A307 PolarHBondContact OH-O 2.88Å; A307-R328 CarbonylContact O-C 3.59Å; A307-L329 HydrophobicContact CB-CB 4.45Å; A307-L329 HydrophobicContact CB-CD1 3.85Å; A307-Q348 HydrophobicContact CB-CG 3.92Å
308	G	98	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	165.5	173.4	0	0	0	0	0	111	Q248 V249 Y304	Q248-G308 PolarHBondContact NE2-O 3.19Å; V249-G308 WeakPolarHBondContact CG2-O 3.36Å; V249-G308 PolarHBondContact N-O 2.63Å; V249-G308 PolarHBondContact O-N 2.8Å; V249-G308 VanDerWaalsContact O-O 3.13Å; Y304-G308 WeakPolarHBondContact OH-CA 3.34Å
309	T	98.4	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.2	175.2	-67.1	0	0	0	0	110.3	E246 V247 R263 E311 M325 N326 Q330	E246-T309 HydrophobicContact CB-CG2 3.6Å; E246-T309 HydrophobicContact CG-CG2 3.94Å; V247-T309 WeakPolarHBondContact O-CA 3.33Å; R263-T309 VanDerWaalsContact NH2-CG2 3.31Å; R263-T309 PolarHBondContact NH2-OG1 2.88Å; T309-E311 HydrophobicContact CG2-CG 4.17Å; T309-M325 CarbonylContact O-C 3.43Å; T309-M325 WeakPolarHBondContact O-CA 3.26Å; T309-N326 PolarHBondContact N-O 3.23Å; T309-N326 VanDerWaalsContact N-O 3.12Å; T309-N326 PolarHBondContact O-N 2.56Å; T309-Q330 VanDerWaalsContact CB-CG 3.48Å; T309-Q330 HydrophobicContact CG2-CG 3.87Å; T309-Q330 WeakPolarHBondContact OG1-CG 3.43Å
310	V	98.4	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.9	174.5	-173	0	0	0	0	107.5	E246 V247 V249 A295 A298 F312 F322 M325	E246-V310 CarbonylContact C-O 3.42Å; E246-V310 WeakPolarHBondContact CA-O 3.39Å; V247-V310 PolarHBondContact N-O 2.92Å; V247-V310 PolarHBondContact O-N 3.01Å; V249-V310 HydrophobicContact CG1-CG2 4.17Å; V249-V310 HydrophobicContact CG2-CG2 4.17Å; A295-V310 HydrophobicContact CB-CB 3.95Å; A295-V310 HydrophobicContact CB-CG1 4.49Å; A295-V310 HydrophobicContact CB-CG2 3.92Å; A298-V310 HydrophobicContact CB-CG1 4.26Å; A298-V310 HydrophobicContact CB-CG2 4.05Å; V310-F312 HydrophobicContact CB-CE2 3.89Å; V310-F312 HydrophobicContact CB-CZ 4.34Å; V310-F312 HydrophobicContact CG1-CD2 4.26Å; V310-F312 HydrophobicContact CG1-CE1 4.32Å; V310-F312 HydrophobicContact CG1-CE2 3.47Å; V310-F312 VanDerWaalsContact CG1-CE2 3.47Å; V310-F312 HydrophobicContact CG1-CZ 3.5Å; V310-F312 WeakPolarHBondContact O-CD2 3.48Å; V310-F322 HydrophobicContact CG1-CD2 3.69Å; V310-F322 HydrophobicContact CG1-CE2 3.86Å; V310-M325 HydrophobicContact CG2-CE 4.11Å; V310-M325 HydrophobicContact CG2-CG 4.13Å; V310-M325 HydrophobicContact CG2-SD 4.2Å
311	E	97.5	Very high	95.8	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.4	-178.7	-61.4	-166.9	169	0	0	110.5	H244 E246 K273 T309 M323 E324 N326 Q330	H244-E311 IonicContact CE1-OE1 2.62Å; H244-E311 IonicContact CE1-OE2 3.71Å; H244-E311 PolarHBondContact CE1-OE2 2.9Å; H244-E311 VanDerWaalsContact CE1-OE2 3.26Å; H244-E311 IonicContact NE2-OE1 3.49Å; H244-E311 IonicContact NE2-OE2 2.63Å; H244-E311 PolarHBondContact NE2-OE2 2.82Å; H244-E311 VanDerWaalsContact NE2-OE2 3.15Å; E246-E311 HydrophobicContact CB-CB 4.42Å; E246-E311 HydrophobicContact CB-CG 3.97Å; K273-E311 IonicContact NZ-OE1 3.92Å; K273-E311 PolarHBondContact NZ-OE1 2.96Å; T309-E311 HydrophobicContact CG2-CG 4.17Å; E311-M323 HydrophobicContact CB-CE 3.84Å; E311-M323 WeakPolarHBondContact O-CB 3.47Å; E311-M323 PolarHBondContact O-N 2.87Å; E311-M323 WeakPolarHBondContact OE2-CE 3.41Å; E311-E324 HydrophobicContact CB-CG 4.34Å; E311-E324 PolarHBondContact N-O 3.18Å; E311-E324 PolarHBondContact O-N 3.3Å; E311-N326 PolarHBondContact OE1-ND2 2.95Å; E311-Q330 PolarHBondContact OE1-NE2 3.49Å; E311-Q330 VanDerWaalsContact OE1-NE2 3.1Å
312	F	97	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.1	178.8	-62.2	-91.2	0	0	0	110.8	V164 V245 V247 L291 A294 A295 V310 F320 Y321 F322	V164-F312 HydrophobicContact CG1-CE1 4.03Å; V164-F312 HydrophobicContact CG1-CZ 4.46Å; V245-F312 PolarHBondContact N-O 2.71Å; V245-F312 CarbonylContact O-C 3.42Å; V245-F312 VanDerWaalsContact O-CA 3.31Å; V245-F312 WeakPolarHBondContact O-CA 3.33Å; V245-F312 WeakPolarHBondContact O-CB 3.26Å; V245-F312 PolarHBondContact O-N 3.5Å; V247-F312 HydrophobicContact CB-CE2 4.48Å; V247-F312 HydrophobicContact CG2-CD2 4.3Å; V247-F312 HydrophobicContact CG2-CE2 4Å; L291-F312 HydrophobicContact CD1-CB 4.17Å; L291-F312 HydrophobicContact CD1-CD1 4.1Å; L291-F312 HydrophobicContact CD1-CD2 3.58Å; L291-F312 HydrophobicContact CD1-CE1 4.4Å; L291-F312 HydrophobicContact CD1-CE2 3.9Å; L291-F312 HydrophobicContact CD1-CG 3.69Å; L291-F312 HydrophobicContact CD1-CZ 4.3Å; L291-F312 HydrophobicContact CG-CD2 4.24Å; L291-F312 HydrophobicContact CG-CE2 4.31Å; A294-F312 HydrophobicContact CB-CZ 4.28Å; A295-F312 HydrophobicContact CB-CE2 4.21Å; A295-F312 HydrophobicContact CB-CZ 4.43Å; V310-F312 HydrophobicContact CB-CE2 3.89Å; V310-F312 HydrophobicContact CB-CZ 4.34Å; V310-F312 HydrophobicContact CG1-CD2 4.26Å; V310-F312 HydrophobicContact CG1-CE1 4.32Å; V310-F312 HydrophobicContact CG1-CE2 3.47Å; V310-F312 VanDerWaalsContact CG1-CE2 3.47Å; V310-F312 HydrophobicContact CG1-CZ 3.5Å; V310-F312 WeakPolarHBondContact O-CD2 3.48Å; F312-F320 HydrophobicContact CB-CB 4.31Å; F312-F320 HydrophobicContact CD1-CB 4.44Å; F312-F320 AromaticContact CD1-CD2 3.69Å; F312-F320 HydrophobicContact CD1-CD2 3.69Å; F312-F320 HydrophobicContact CD1-CE2 4.48Å; F312-F320 AromaticContact CE1-CD2 3.87Å; F312-F320 HydrophobicContact CE1-CD2 3.87Å; F312-F320 HydrophobicContact CE1-CE2 4.22Å; F312-F320 HydrophobicContact CG-CD2 4.4Å; F312-Y321 CarbonylContact C-O 3.58Å; F312-Y321 VanDerWaalsContact CA-O 3.26Å; F312-Y321 WeakPolarHBondContact CA-O 3.4Å; F312-F322 HydrophobicContact CD1-CB 4.43Å; F312-F322 HydrophobicContact CE1-CB 4.28Å
313	I	94.8	Very high	95.4	Very high	31 Å²	31	34.1 Å²	34.1	16%	0.159	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124	162.9	-68	177.7	0	0	0	106.9	V239 P242 F320 Y321 M323	V239-I313 HydrophobicContact CB-CG2 3.91Å; V239-I313 HydrophobicContact CG1-CG2 4.14Å; V239-I313 HydrophobicContact CG2-CG2 3.85Å; P242-I313 HydrophobicContact CB-CG2 3.49Å; P242-I313 VanDerWaalsContact CB-CG2 3.49Å; P242-I313 HydrophobicContact CG-CG2 4.35Å; I313-F320 CarbonylContact O-C 3.59Å; I313-F320 VanDerWaalsContact O-CA 3.3Å; I313-F320 WeakPolarHBondContact O-CA 3.36Å; I313-Y321 PolarHBondContact N-O 3.39Å; I313-Y321 PolarHBondContact O-N 3.36Å; I313-M323 HydrophobicContact CD1-CG 4.25Å; I313-M323 HydrophobicContact CD1-SD 3.78Å; I313-M323 HydrophobicContact CG1-CB 4.23Å; I313-M323 HydrophobicContact CG1-CG 4.35Å; I313-M323 HydrophobicContact CG1-SD 3.75Å
314	M	95.3	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.2	177.9	-176.8	177.2	-68.5	0	0	110.5	P242 R243 V245 I283 V287 L291 H318 N319 F320	P242-M314 WeakPolarHBondContact CA-O 3.21Å; R243-M314 HydrophobicContact CB-CB 4.26Å; R243-M314 PolarHBondContact N-O 3.02Å; R243-M314 PolarHBondContact O-N 3.43Å; V245-M314 HydrophobicContact CB-CE 4.37Å; V245-M314 HydrophobicContact CG1-CE 4.34Å; V245-M314 HydrophobicContact CG2-CB 3.97Å; V245-M314 HydrophobicContact CG2-CE 4.15Å; V245-M314 HydrophobicContact CG2-SD 4.14Å; I283-M314 HydrophobicContact CD1-CE 4.02Å; I283-M314 HydrophobicContact CD1-SD 4.13Å; I283-M314 HydrophobicContact CG1-CE 4.48Å; I283-M314 HydrophobicContact CG1-SD 4.19Å; V287-M314 HydrophobicContact CG1-CE 4.18Å; L291-M314 HydrophobicContact CD2-CE 4.39Å; M314-H318 HydrophobicContact CG-CB 4.45Å; M314-H318 HydrophobicContact SD-CB 4.09Å; M314-N319 CarbonylContact C-O 3.54Å; M314-N319 WeakPolarHBondContact CA-O 3.37Å; M314-F320 HydrophobicContact CB-CB 4.49Å; M314-F320 HydrophobicContact CE-CB 4.25Å
315	D	93	Very high	95	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.102	17%	0.166	C	C	.	.			trans	-85	174.9	175.7	71.3	21.9	0	0	0	112.6	V239 Q317 H318 N319	V239-D315 HydrophobicContact CG1-CB 3.68Å; D315-Q317 PolarHBondContact O-N 3.03Å; D315-Q317 WeakPolarHBondContact OD1-CA 3.44Å; D315-Q317 PolarHBondContact OD1-N 3.29Å; D315-H318 WeakPolarHBondContact O-CA 3.36Å; D315-H318 PolarHBondContact O-N 2.79Å; D315-H318 PolarHBondContact OD1-N 2.77Å; D315-N319 PolarHBondContact N-O 2.91Å; D315-N319 PolarHBondContact OD1-N 3.18Å; D315-N319 PolarHBondContact OD1-ND2 2.86Å; D315-N319 VanDerWaalsContact OD2-CB 3.28Å; D315-N319 WeakPolarHBondContact OD2-CB 3.28Å; D315-N319 PolarHBondContact OD2-ND2 3.2Å
316	A	89.1	Confident	94.9	Very high	83 Å²	83	31.3 Å²	31.3	69%	0.686	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19	-179.5	0	0	0	0	0	114	H318	A316-H318 VanDerWaalsContact C-N 3.32Å
317	Q	90.1	Very high	94.9	Very high	142 Å²	142	31.4 Å²	31.4	66%	0.664	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	6.1	175.1	-66.7	74.6	39.6	0	0	112.2	D315 N319	D315-Q317 PolarHBondContact O-N 3.03Å; D315-Q317 WeakPolarHBondContact OD1-CA 3.44Å; D315-Q317 PolarHBondContact OD1-N 3.29Å; Q317-N319 PolarHBondContact O-N 2.9Å
318	H	92.3	Very high	94.9	Very high	54 Å²	54	33.2 Å²	33.2	25%	0.25	17%	0.171	C	C	.	.			trans	62.3	22.8	-175.2	-54.3	163.9	0	0	0	114.4	G282 V287 M314 D315 A316	G282-H318 PolarHBondContact O-CE1 2.85Å; V287-H318 HydrophobicContact CG1-CB 4.19Å; V287-H318 HydrophobicContact CG2-CB 4.33Å; M314-H318 HydrophobicContact CG-CB 4.45Å; M314-H318 HydrophobicContact SD-CB 4.09Å; D315-H318 WeakPolarHBondContact O-CA 3.36Å; D315-H318 PolarHBondContact O-N 2.79Å; D315-H318 PolarHBondContact OD1-N 2.77Å; A316-H318 VanDerWaalsContact C-N 3.32Å
319	N	94.1	Very high	94.9	Very high	79 Å²	79	33.2 Å²	33.2	42%	0.422	17%	0.171	S	C	.	.			trans	-72.6	138.1	160.5	-46.1	-68.5	0	0	0	107.8	M314 D315 Q317 Y321	M314-N319 CarbonylContact C-O 3.54Å; M314-N319 WeakPolarHBondContact CA-O 3.37Å; D315-N319 PolarHBondContact N-O 2.91Å; D315-N319 PolarHBondContact OD1-N 3.18Å; D315-N319 PolarHBondContact OD1-ND2 2.86Å; D315-N319 VanDerWaalsContact OD2-CB 3.28Å; D315-N319 WeakPolarHBondContact OD2-CB 3.28Å; D315-N319 PolarHBondContact OD2-ND2 3.2Å; Q317-N319 PolarHBondContact O-N 2.9Å; N319-Y321 HydrophobicContact CB-CE2 4.04Å; N319-Y321 WeakPolarHBondContact CB-OH 3.04Å
320	F	96.2	Very high	94.8	Very high	23 Å²	23	33.5 Å²	33.5	10%	0.101	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.4	-176.6	58.7	-95.2	0	0	0	110.5	P165 K290 L291 A294 F312 I313 M314	P165-F320 WeakPolarHBondContact CB-O 3.48Å; P165-F320 HydrophobicContact CG-CD2 4.33Å; P165-F320 HydrophobicContact CG-CE2 3.82Å; P165-F320 HydrophobicContact CG-CZ 4.44Å; K290-F320 HydrophobicContact CB-CE1 4.14Å; K290-F320 HydrophobicContact CB-CZ 4.07Å; L291-F320 HydrophobicContact CB-CE1 4.38Å; L291-F320 HydrophobicContact CB-CZ 4.43Å; L291-F320 HydrophobicContact CD1-CB 3.83Å; L291-F320 HydrophobicContact CD1-CD1 3.86Å; L291-F320 HydrophobicContact CD1-CD2 3.47Å; L291-F320 VanDerWaalsContact CD1-CD2 3.47Å; L291-F320 HydrophobicContact CD1-CE1 4.27Å; L291-F320 HydrophobicContact CD1-CE2 3.9Å; L291-F320 HydrophobicContact CD1-CG 3.43Å; L291-F320 VanDerWaalsContact CD1-CG 3.43Å; L291-F320 HydrophobicContact CD1-CZ 4.28Å; A294-F320 HydrophobicContact CB-CE2 3.98Å; A294-F320 HydrophobicContact CB-CZ 4.48Å; F312-F320 HydrophobicContact CB-CB 4.31Å; F312-F320 HydrophobicContact CD1-CB 4.44Å; F312-F320 AromaticContact CD1-CD2 3.69Å; F312-F320 HydrophobicContact CD1-CD2 3.69Å; F312-F320 HydrophobicContact CD1-CE2 4.48Å; F312-F320 AromaticContact CE1-CD2 3.87Å; F312-F320 HydrophobicContact CE1-CD2 3.87Å; F312-F320 HydrophobicContact CE1-CE2 4.22Å; F312-F320 HydrophobicContact CG-CD2 4.4Å; I313-F320 CarbonylContact O-C 3.59Å; I313-F320 VanDerWaalsContact O-CA 3.3Å; I313-F320 WeakPolarHBondContact O-CA 3.36Å; M314-F320 HydrophobicContact CB-CB 4.49Å; M314-F320 HydrophobicContact CE-CB 4.25Å
321	Y	95.3	Very high	94.8	Very high	61 Å²	61	34.1 Å²	34.1	24%	0.239	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.6	-176.1	-50.8	-82.1	0	0	0	109.2	I167 V239 F312 I313 N319 M323	I167-Y321 HydrophobicContact CB-CG 4.39Å; V239-Y321 HydrophobicContact CG2-CD2 4.41Å; F312-Y321 CarbonylContact C-O 3.58Å; F312-Y321 VanDerWaalsContact CA-O 3.26Å; F312-Y321 WeakPolarHBondContact CA-O 3.4Å; I313-Y321 PolarHBondContact N-O 3.39Å; I313-Y321 PolarHBondContact O-N 3.36Å; N319-Y321 HydrophobicContact CB-CE2 4.04Å; N319-Y321 WeakPolarHBondContact CB-OH 3.04Å; Y321-M323 PolarHBondContact O-N 3.28Å
322	F	95.2	Very high	94.9	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	129.3	176.8	172.2	-93.7	0	0	0	110.3	M159 V164 P165 I166 V310 F312 E324 M325	M159-F322 HydrophobicContact CB-CD1 4.1Å; M159-F322 HydrophobicContact CB-CE1 4.31Å; M159-F322 HydrophobicContact CB-CG 4.28Å; M159-F322 HydrophobicContact CG-CD1 3.69Å; M159-F322 HydrophobicContact CG-CD2 3.81Å; M159-F322 HydrophobicContact CG-CE1 3.52Å; M159-F322 HydrophobicContact CG-CE2 3.63Å; M159-F322 HydrophobicContact CG-CG 3.83Å; M159-F322 HydrophobicContact CG-CZ 3.48Å; M159-F322 VanDerWaalsContact CG-CZ 3.48Å; M159-F322 HydrophobicContact SD-CD2 4.22Å; M159-F322 HydrophobicContact SD-CE2 3.96Å; M159-F322 HydrophobicContact SD-CZ 4.27Å; V164-F322 HydrophobicContact CG1-CB 3.86Å; V164-F322 HydrophobicContact CG1-CD2 4.4Å; V164-F322 HydrophobicContact CG1-CG 4.41Å; P165-F322 WeakPolarHBondContact O-CB 3.46Å; P165-F322 PolarHBondContact O-N 3.46Å; I166-F322 HydrophobicContact CG2-CB 4.25Å; I166-F322 HydrophobicContact CG2-CD1 4.46Å; V310-F322 HydrophobicContact CG1-CD2 3.69Å; V310-F322 HydrophobicContact CG1-CE2 3.86Å; F312-F322 HydrophobicContact CD1-CB 4.43Å; F312-F322 HydrophobicContact CE1-CB 4.28Å; F322-E324 VanDerWaalsContact CE2-C 3.46Å; F322-E324 WeakPolarHBondContact CE2-O 3.5Å; F322-E324 VanDerWaalsContact CZ-C 3.47Å; F322-E324 VanDerWaalsContact CZ-CA 3.46Å; F322-M325 HydrophobicContact CE2-CB 4.14Å; F322-M325 HydrophobicContact CZ-CB 4.33Å
323	M	90.3	Very high	94.9	Very high	55 Å²	55	33.8 Å²	33.8	27%	0.271	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-60.7	175.4	-172.6	170	68.1	0	0	110.1	E311 I313 Y321	E311-M323 HydrophobicContact CB-CE 3.84Å; E311-M323 WeakPolarHBondContact O-CB 3.47Å; E311-M323 PolarHBondContact O-N 2.87Å; E311-M323 WeakPolarHBondContact OE2-CE 3.41Å; I313-M323 HydrophobicContact CD1-CG 4.25Å; I313-M323 HydrophobicContact CD1-SD 3.78Å; I313-M323 HydrophobicContact CG1-CB 4.23Å; I313-M323 HydrophobicContact CG1-CG 4.35Å; I313-M323 HydrophobicContact CG1-SD 3.75Å; Y321-M323 PolarHBondContact O-N 3.28Å
324	E	92	Very high	95.1	Very high	75 Å²	75	32.3 Å²	32.3	35%	0.35	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	172.5	178.6	61.8	-170.9	162	0	0	111.3	E311 F322	E311-E324 HydrophobicContact CB-CG 4.34Å; E311-E324 PolarHBondContact N-O 3.18Å; E311-E324 PolarHBondContact O-N 3.3Å; F322-E324 VanDerWaalsContact CE2-C 3.46Å; F322-E324 WeakPolarHBondContact CE2-O 3.5Å; F322-E324 VanDerWaalsContact CZ-C 3.47Å; F322-E324 VanDerWaalsContact CZ-CA 3.46Å
325	M	95.1	Very high	95.3	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.039	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.6	172.8	-175.4	175	-172	0	0	108.8	M149 V249 A299 V302 Y304 T309 V310 F322 T327	M149-M325 HydrophobicContact CB-CB 4.39Å; M149-M325 HydrophobicContact CG-CB 4.05Å; M149-M325 HydrophobicContact CG-CG 4.39Å; M149-M325 HydrophobicContact CG-SD 4.12Å; M149-M325 HydrophobicContact SD-CB 3.86Å; M149-M325 HydrophobicContact SD-SD 4.08Å; V249-M325 HydrophobicContact CG2-CE 3.79Å; A299-M325 HydrophobicContact CB-CE 4.21Å; V302-M325 HydrophobicContact CG2-SD 4.45Å; Y304-M325 HydrophobicContact CD1-CE 4Å; Y304-M325 HydrophobicContact CD2-CE 3.31Å; Y304-M325 HydrophobicContact CD2-SD 4.07Å; Y304-M325 HydrophobicContact CE1-CE 4.12Å; Y304-M325 HydrophobicContact CE2-CE 3.44Å; Y304-M325 VanDerWaalsContact CE2-CE 3.44Å; Y304-M325 HydrophobicContact CE2-SD 4.22Å; Y304-M325 HydrophobicContact CG-CE 3.6Å; T309-M325 CarbonylContact O-C 3.43Å; T309-M325 WeakPolarHBondContact O-CA 3.26Å; V310-M325 HydrophobicContact CG2-CE 4.11Å; V310-M325 HydrophobicContact CG2-CG 4.13Å; V310-M325 HydrophobicContact CG2-SD 4.2Å; F322-M325 HydrophobicContact CE2-CB 4.14Å; F322-M325 HydrophobicContact CZ-CB 4.33Å; M325-T327 PolarHBondContact O-N 2.88Å
326	N	95.8	Very high	95.6	Very high	14 Å²	14	31.4 Å²	31.4	8%	0.075	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.2	174.3	-74.7	-78.8	0	0	0	109	T309 E311 R328 Q330	T309-N326 PolarHBondContact N-O 3.23Å; T309-N326 VanDerWaalsContact N-O 3.12Å; T309-N326 PolarHBondContact O-N 2.56Å; E311-N326 PolarHBondContact OE1-ND2 2.95Å; N326-R328 HydrophobicContact CB-CG 4.41Å; N326-R328 PolarHBondContact O-N 2.89Å; N326-R328 PolarHBondContact OD1-NH2 3.32Å; N326-Q330 VanDerWaalsContact CG-NE2 3.33Å; N326-Q330 PolarHBondContact ND2-NE2 3.42Å; N326-Q330 VanDerWaalsContact ND2-NE2 3.1Å
327	T	97.1	Very high	96	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.025	13%	0.131	C	C	.	.			trans	-89.7	44	-167.5	58.5	0	0	0	0	112.3	E123 P141 M149 Y304 M325	E123-T327 PolarHBondContact OE1-N 2.84Å; P141-T327 WeakPolarHBondContact CD-O 3.46Å; P141-T327 WeakPolarHBondContact CG-O 3.34Å; M149-T327 HydrophobicContact CB-CG2 3.61Å; M149-T327 HydrophobicContact CG-CG2 3.94Å; Y304-T327 HydrophobicContact CE2-CG2 3.86Å; Y304-T327 WeakPolarHBondContact OH-CA 3.29Å; M325-T327 PolarHBondContact O-N 2.88Å
328	R	97.4	Very high	96.4	Very high	39 Å²	39	22.7 Å²	22.7	15%	0.147	11%	0.107	C	C	.	.	S	Bend	trans	-159.5	172.3	-170.5	55	175	171.2	73.7	11.1	111.8	S122 E123 Y304 A307 N326	S122-R328 WeakPolarHBondContact OG-CD 3.21Å; E123-R328 VanDerWaalsContact CD-NE 3.32Å; E123-R328 HydrophobicContact CG-CB 4.25Å; E123-R328 HydrophobicContact CG-CG 4.03Å; E123-R328 IonicContact OE1-NE 3.82Å; E123-R328 WeakPolarHBondContact OE2-CD 3.39Å; E123-R328 IonicContact OE2-CZ 3.42Å; E123-R328 IonicContact OE2-NE 2.75Å; E123-R328 PolarHBondContact OE2-NE 2.83Å; Y304-R328 PolarHBondContact OH-N 3Å; A307-R328 CarbonylContact O-C 3.59Å; N326-R328 HydrophobicContact CB-CG 4.41Å; N326-R328 PolarHBondContact O-N 2.89Å; N326-R328 PolarHBondContact OD1-NH2 3.32Å
329	L	97.9	Very high	96.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.			trans	-63.1	134.3	162.7	-170.8	67.5	0	0	0	109.2	I49 Y118 A307 H333 L344 V345	I49-L329 HydrophobicContact CD1-CD2 4.21Å; Y118-L329 WeakPolarHBondContact CB-O 3.46Å; A307-L329 HydrophobicContact CB-CB 4.45Å; A307-L329 HydrophobicContact CB-CD1 3.85Å; L329-H333 HydrophobicContact CD1-CB 3.71Å; L329-H333 HydrophobicContact CG-CB 4.17Å; L329-L344 HydrophobicContact CD1-CB 3.97Å; L329-L344 HydrophobicContact CD1-CD1 4.04Å; L329-V345 HydrophobicContact CD2-CG2 3.86Å
330	Q	97.8	Very high	96.9	Very high	5 Å²	5	17.2 Å²	17.2	2%	0.023	8%	0.08	C	C	.	.			trans	-81.2	157.2	173.9	-80.8	-70.4	19.8	0	0	111.7	T309 E311 N326 E332 H333	T309-Q330 VanDerWaalsContact CB-CG 3.48Å; T309-Q330 HydrophobicContact CG2-CG 3.87Å; T309-Q330 WeakPolarHBondContact OG1-CG 3.43Å; E311-Q330 PolarHBondContact OE1-NE2 3.49Å; E311-Q330 VanDerWaalsContact OE1-NE2 3.1Å; N326-Q330 VanDerWaalsContact CG-NE2 3.33Å; N326-Q330 PolarHBondContact ND2-NE2 3.42Å; N326-Q330 VanDerWaalsContact ND2-NE2 3.1Å; Q330-E332 VanDerWaalsContact C-N 3.28Å; Q330-E332 HydrophobicContact CB-CG 4.21Å; Q330-E332 PolarHBondContact O-N 3.39Å; Q330-H333 WeakPolarHBondContact O-CB 3.09Å; Q330-H333 PolarHBondContact O-N 3.45Å; Q330-H333 PolarHBondContact O-ND1 3.12Å
331	V	98.1	Very high	97	Very high	13 Å²	13	19.6 Å²	19.6	8%	0.079	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-44.9	179.3	-179.1	0	0	0	0	109.4	Y118 H333 P334 M422 K425	Y118-V331 HydrophobicContact CD1-CG2 3.97Å; Y118-V331 HydrophobicContact CD2-CG2 3.86Å; Y118-V331 HydrophobicContact CE1-CB 4.23Å; Y118-V331 HydrophobicContact CE1-CG1 4.31Å; Y118-V331 HydrophobicContact CE1-CG2 3.91Å; Y118-V331 HydrophobicContact CE2-CG2 3.84Å; Y118-V331 HydrophobicContact CG-CG2 3.97Å; V331-H333 VanDerWaalsContact C-N 3.25Å; V331-H333 PolarHBondContact O-N 3.16Å; V331-H333 PolarHBondContact O-ND1 2.92Å; V331-P334 WeakPolarHBondContact O-CD 3.45Å; V331-M422 HydrophobicContact CG1-CE 4.05Å; V331-M422 HydrophobicContact CG1-SD 4.34Å; V331-K425 HydrophobicContact CG1-CD 3.61Å; V331-K425 PolarHBondContact O-NZ 2.9Å
332	E	98.2	Very high	97.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	13.9	-178.8	60.7	-90.9	-142	0	0	114.3	E246 R263 K273 E276 Q330 V335 E372 R374	E246-E332 VanDerWaalsContact OE1-CG 3.3Å; E246-E332 WeakPolarHBondContact OE1-CG 3.37Å; R263-E332 WeakPolarHBondContact CD-O 3.4Å; K273-E332 WeakPolarHBondContact CD-OE1 3.42Å; K273-E332 WeakPolarHBondContact CE-OE1 3.21Å; K273-E332 IonicContact NZ-OE1 3.84Å; K273-E332 PolarHBondContact NZ-OE1 3.23Å; E276-E332 HydrophobicContact CB-CB 3.92Å; E276-E332 HydrophobicContact CB-CG 4.48Å; E276-E332 HydrophobicContact CG-CB 3.65Å; E276-E332 HydrophobicContact CG-CG 4.04Å; Q330-E332 VanDerWaalsContact C-N 3.28Å; Q330-E332 HydrophobicContact CB-CG 4.21Å; Q330-E332 PolarHBondContact O-N 3.39Å; E332-V335 VanDerWaalsContact O-CG2 3.24Å; E332-V335 WeakPolarHBondContact O-CG2 3.24Å; E332-V335 PolarHBondContact O-N 2.7Å; E332-E372 VanDerWaalsContact CA-OE1 3.28Å; E332-E372 WeakPolarHBondContact CA-OE1 3.3Å; E332-R374 IonicContact OE1-NH2 2.81Å; E332-R374 IonicContact OE2-NH2 3.76Å; E332-R374 PolarHBondContact OE2-NH2 3.1Å
333	H	98.8	Very high	97.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55	-27.9	172.1	75.3	-85.6	0	0	0	115.3	R52 L329 Q330 V331 V335 S336 E337 L344	R52-H333 PolarHBondContact NE-NE2 3Å; L329-H333 HydrophobicContact CD1-CB 3.71Å; L329-H333 HydrophobicContact CG-CB 4.17Å; Q330-H333 WeakPolarHBondContact O-CB 3.09Å; Q330-H333 PolarHBondContact O-N 3.45Å; Q330-H333 PolarHBondContact O-ND1 3.12Å; V331-H333 VanDerWaalsContact C-N 3.25Å; V331-H333 PolarHBondContact O-N 3.16Å; V331-H333 PolarHBondContact O-ND1 2.92Å; H333-V335 VanDerWaalsContact C-N 3.27Å; H333-V335 PolarHBondContact O-N 3.15Å; H333-S336 WeakPolarHBondContact O-CB 3.11Å; H333-S336 PolarHBondContact O-N 2.73Å; H333-S336 VanDerWaalsContact O-N 3.1Å; H333-E337 IonicContact CD2-OE1 2.73Å; H333-E337 PolarHBondContact CD2-OE1 3.34Å; H333-E337 IonicContact CD2-OE2 3.26Å; H333-E337 IonicContact NE2-OE1 3.97Å; H333-E337 IonicContact NE2-OE2 3.7Å; H333-E337 PolarHBondContact O-N 3.31Å; H333-L344 HydrophobicContact CB-CD1 3.95Å
334	P	98.8	Very high	97.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-33.5	179.1	-28.3	38.6	0	0	0	114	V331 S336 E337 M338 E372 E406 V427	V331-P334 WeakPolarHBondContact O-CD 3.45Å; P334-S336 VanDerWaalsContact C-N 3.28Å; P334-S336 PolarHBondContact O-N 2.7Å; P334-E337 WeakPolarHBondContact O-CB 3.49Å; P334-E337 PolarHBondContact O-N 2.57Å; P334-E337 VanDerWaalsContact O-N 3.16Å; P334-M338 VanDerWaalsContact O-CG 3.26Å; P334-M338 WeakPolarHBondContact O-CG 3.01Å; P334-M338 PolarHBondContact O-N 2.73Å; P334-E372 WeakPolarHBondContact CB-OE2 2.98Å; P334-E372 VanDerWaalsContact CD-OE2 3.29Å; P334-E372 WeakPolarHBondContact CD-OE2 3.3Å; P334-E372 VanDerWaalsContact CG-OE2 3.32Å; P334-E372 WeakPolarHBondContact CG-OE2 3.47Å; P334-E406 HydrophobicContact CG-CG 4.34Å; P334-V427 HydrophobicContact CB-CB 4.28Å; P334-V427 HydrophobicContact CB-CG1 3.88Å; P334-V427 HydrophobicContact CB-CG2 3.58Å; P334-V427 HydrophobicContact CG-CG2 4.19Å
335	V	98.8	Very high	98	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.4	-35.4	177.5	-61	0	0	0	0	111.6	R263 A278 E332 H333 M338 I339 E372 V427	R263-V335 HydrophobicContact CB-CG2 4.44Å; R263-V335 HydrophobicContact CG-CG2 3.75Å; A278-V335 HydrophobicContact CB-CB 3.83Å; A278-V335 HydrophobicContact CB-CG2 3.67Å; E332-V335 VanDerWaalsContact O-CG2 3.24Å; E332-V335 WeakPolarHBondContact O-CG2 3.24Å; E332-V335 PolarHBondContact O-N 2.7Å; H333-V335 VanDerWaalsContact C-N 3.27Å; H333-V335 PolarHBondContact O-N 3.15Å; V335-M338 PolarHBondContact O-N 3.26Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 2.91Å; V335-E372 HydrophobicContact CG1-CB 3.38Å; V335-V427 HydrophobicContact CG1-CG1 4.26Å
336	S	98.7	Very high	98.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.1	-45	171.8	-67.2	0	0	0	0	110.8	R263 H333 P334 M338 I339 T340	R263-S336 WeakPolarHBondContact CD-OG 3.39Å; R263-S336 PolarHBondContact NH1-OG 3.39Å; H333-S336 WeakPolarHBondContact O-CB 3.11Å; H333-S336 PolarHBondContact O-N 2.73Å; H333-S336 VanDerWaalsContact O-N 3.1Å; P334-S336 VanDerWaalsContact C-N 3.28Å; P334-S336 PolarHBondContact O-N 2.7Å; S336-M338 VanDerWaalsContact C-N 3.32Å; S336-M338 PolarHBondContact O-N 2.81Å; S336-I339 VanDerWaalsContact O-CG1 3.26Å; S336-I339 WeakPolarHBondContact O-CG1 3.49Å; S336-I339 PolarHBondContact O-N 2.77Å; S336-T340 WeakPolarHBondContact O-CG2 3.35Å; S336-T340 PolarHBondContact O-N 2.87Å; S336-T340 VanDerWaalsContact O-N 3.13Å; S336-T340 PolarHBondContact O-OG1 2.79Å
337	E	98.7	Very high	98.3	Very high	8 Å²	8	13.3 Å²	13.3	4%	0.037	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-40	177.4	-67.7	-173.3	158	0	0	112.7	R52 H333 P334 I339 G341 T342 L344 R404	R52-E337 IonicContact CZ-OE1 3.39Å; R52-E337 IonicContact CZ-OE2 2.7Å; R52-E337 IonicContact NE-OE2 3.15Å; R52-E337 VanDerWaalsContact NH2-CD 3.3Å; R52-E337 IonicContact NH2-OE1 2.78Å; R52-E337 PolarHBondContact NH2-OE1 3.3Å; R52-E337 IonicContact NH2-OE2 2.7Å; R52-E337 PolarHBondContact NH2-OE2 3.47Å; R52-E337 VanDerWaalsContact NH2-OE2 3.09Å; H333-E337 IonicContact CD2-OE1 2.73Å; H333-E337 PolarHBondContact CD2-OE1 3.34Å; H333-E337 IonicContact CD2-OE2 3.26Å; H333-E337 IonicContact NE2-OE1 3.97Å; H333-E337 IonicContact NE2-OE2 3.7Å; H333-E337 PolarHBondContact O-N 3.31Å; P334-E337 WeakPolarHBondContact O-CB 3.49Å; P334-E337 PolarHBondContact O-N 2.57Å; P334-E337 VanDerWaalsContact O-N 3.16Å; E337-I339 PolarHBondContact O-N 2.87Å; E337-G341 WeakPolarHBondContact O-CA 3.48Å; E337-G341 PolarHBondContact O-N 2.82Å; E337-T342 WeakPolarHBondContact CB-O 3.4Å; E337-T342 VanDerWaalsContact CG-O 3.22Å; E337-T342 WeakPolarHBondContact CG-O 3.41Å; E337-L344 HydrophobicContact CG-CD1 4.5Å; E337-L344 HydrophobicContact CG-CG 3.91Å; E337-L344 WeakPolarHBondContact OE1-CB 3.34Å; E337-L344 PolarHBondContact OE1-N 3.08Å; E337-R404 IonicContact OE2-CZ 3.6Å; E337-R404 IonicContact OE2-NH1 3.79Å; E337-R404 PolarHBondContact OE2-NH1 2.91Å; E337-R404 IonicContact OE2-NH2 2.9Å; E337-R404 PolarHBondContact OE2-NH2 2.87Å
338	M	98.5	Very high	98.3	Very high	34 Å²	34	13.4 Å²	13.4	17%	0.167	8%	0.084	C	C	.	.	H	α-helix	trans	-67.7	-33.8	-178.6	-69.1	-60.2	-69.5	0	0	112.8	P334 V335 S336 S370 V427 W429	P334-M338 VanDerWaalsContact O-CG 3.26Å; P334-M338 WeakPolarHBondContact O-CG 3.01Å; P334-M338 PolarHBondContact O-N 2.73Å; V335-M338 PolarHBondContact O-N 3.26Å; S336-M338 VanDerWaalsContact C-N 3.32Å; S336-M338 PolarHBondContact O-N 2.81Å; M338-S370 WeakPolarHBondContact CB-OG 3.16Å; M338-V427 HydrophobicContact CG-CG1 3.72Å; M338-W429 HydrophobicContact CB-CB 4.3Å; M338-W429 HydrophobicContact CE-CB 3.41Å; M338-W429 VanDerWaalsContact CE-CB 3.41Å; M338-W429 HydrophobicContact CE-CG 4.29Å
339	I	98.6	Very high	98.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-87.2	-20.7	-179.8	64.1	171.7	0	0	0	113.9	F261 A278 V335 S336 E337 L366 S367	F261-I339 HydrophobicContact CB-CD1 4.17Å; F261-I339 HydrophobicContact CD2-CD1 4.44Å; A278-I339 HydrophobicContact CB-CD1 3.54Å; A278-I339 HydrophobicContact CB-CG1 4.35Å; A278-I339 HydrophobicContact CB-CG2 4.46Å; A278-I339 VanDerWaalsContact O-CG2 3.31Å; A278-I339 WeakPolarHBondContact O-CG2 3.41Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 2.91Å; S336-I339 VanDerWaalsContact O-CG1 3.26Å; S336-I339 WeakPolarHBondContact O-CG1 3.49Å; S336-I339 PolarHBondContact O-N 2.77Å; E337-I339 PolarHBondContact O-N 2.87Å; I339-L366 HydrophobicContact CB-CD1 4.05Å; I339-L366 HydrophobicContact CD1-CD1 3.56Å; I339-L366 HydrophobicContact CG1-CD1 4.13Å; I339-S367 WeakPolarHBondContact CA-O 3.29Å; I339-S367 PolarHBondContact O-N 2.86Å
340	T	98.5	Very high	98.3	Very high	18 Å²	18	15.5 Å²	15.5	11%	0.11	9%	0.093	C	C	.	.	H	α-helix	trans	-103.4	-19	179	60.7	0	0	0	0	113.7	L260 F261 S336 T342 I364	L260-T340 HydrophobicContact CB-CG2 4.16Å; L260-T340 HydrophobicContact CD2-CG2 4.32Å; F261-T340 HydrophobicContact CD2-CG2 3.82Å; F261-T340 HydrophobicContact CE2-CG2 4.09Å; S336-T340 WeakPolarHBondContact O-CG2 3.35Å; S336-T340 PolarHBondContact O-N 2.87Å; S336-T340 VanDerWaalsContact O-N 3.13Å; S336-T340 PolarHBondContact O-OG1 2.79Å; T340-T342 VanDerWaalsContact C-N 3.26Å; T340-T342 PolarHBondContact O-N 3.37Å; T340-T342 PolarHBondContact OG1-N 3.39Å; T340-T342 PolarHBondContact OG1-OG1 2.76Å; T340-I364 HydrophobicContact CG2-CG2 4Å
341	G	97.3	Very high	98.3	Very high	73 Å²	73	15.3 Å²	15.3	75%	0.753	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	18.5	-172.6	0	0	0	0	0	114	E337	E337-G341 WeakPolarHBondContact O-CA 3.48Å; E337-G341 PolarHBondContact O-N 2.82Å
342	T	97.8	Very high	98.3	Very high	16 Å²	16	15.1 Å²	15.1	10%	0.098	9%	0.092	C	C	.	.			trans	-94.4	158.1	179.5	60.5	0	0	0	0	112.4	L260 E337 T340 W347 L359	L260-T342 HydrophobicContact CD2-CG2 3.88Å; L260-T342 WeakPolarHBondContact CD2-OG1 3.01Å; E337-T342 WeakPolarHBondContact CB-O 3.4Å; E337-T342 VanDerWaalsContact CG-O 3.22Å; E337-T342 WeakPolarHBondContact CG-O 3.41Å; T340-T342 VanDerWaalsContact C-N 3.26Å; T340-T342 PolarHBondContact O-N 3.37Å; T340-T342 PolarHBondContact OG1-N 3.39Å; T340-T342 PolarHBondContact OG1-OG1 2.76Å; T342-W347 HydrophobicContact CG2-CH2 4.31Å; T342-W347 HydrophobicContact CG2-CZ2 3.79Å; T342-L359 HydrophobicContact CG2-CD1 4.41Å
343	D	98.4	Very high	98.2	Very high	24 Å²	24	15.5 Å²	15.5	13%	0.128	10%	0.095	C	C	.	.			trans	-112.1	105.9	164.9	-178.5	-17.5	0	0	0	108.1	R52 T56 V345 E346 W347	R52-D343 IonicContact CZ-OD1 3.21Å; R52-D343 IonicContact NH1-OD1 3.32Å; R52-D343 IonicContact NH2-OD1 3.52Å; R52-D343 PolarHBondContact NH2-OD1 2.89Å; T56-D343 WeakPolarHBondContact CG2-OD2 3.27Å; T56-D343 PolarHBondContact OG1-OD1 2.85Å; T56-D343 PolarHBondContact OG1-OD2 3.06Å; D343-V345 VanDerWaalsContact C-N 3.34Å; D343-V345 PolarHBondContact OD1-N 3.35Å; D343-V345 VanDerWaalsContact OD1-N 3.15Å; D343-E346 HydrophobicContact CB-CB 3.71Å; D343-E346 WeakPolarHBondContact O-CB 3.31Å; D343-E346 PolarHBondContact O-N 3.03Å; D343-E346 PolarHBondContact OD1-N 2.81Å; D343-W347 VanDerWaalsContact O-CD1 3.25Å; D343-W347 PolarHBondContact O-N 3.23Å; D343-W347 VanDerWaalsContact O-N 3.08Å
344	L	98.6	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.8	-32.7	-175.3	-63.3	-168.5	0	0	0	112	Q248 F250 L260 L329 H333 E337 E346 W347 Q348	Q248-L344 HydrophobicContact CG-CD1 3.79Å; F250-L344 HydrophobicContact CD2-CD2 4.04Å; F250-L344 HydrophobicContact CE2-CB 4.25Å; F250-L344 HydrophobicContact CE2-CD2 4.2Å; F250-L344 WeakPolarHBondContact CE2-O 3.34Å; L260-L344 HydrophobicContact CD1-CD2 4.19Å; L260-L344 HydrophobicContact CD2-CD2 3.78Å; L329-L344 HydrophobicContact CD1-CB 3.97Å; L329-L344 HydrophobicContact CD1-CD1 4.04Å; H333-L344 HydrophobicContact CB-CD1 3.95Å; E337-L344 HydrophobicContact CG-CD1 4.5Å; E337-L344 HydrophobicContact CG-CG 3.91Å; E337-L344 WeakPolarHBondContact OE1-CB 3.34Å; E337-L344 PolarHBondContact OE1-N 3.08Å; L344-E346 VanDerWaalsContact C-N 3.3Å; L344-W347 PolarHBondContact O-N 3.44Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 2.74Å
345	V	98.6	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-37.2	174.4	177.4	0	0	0	0	110.2	R52 V53 T56 L329 D343 W347 Q348 L349	R52-V345 HydrophobicContact CG-CG2 4.39Å; V53-V345 HydrophobicContact CB-CG1 4.41Å; V53-V345 HydrophobicContact CG1-CG1 4.19Å; V53-V345 HydrophobicContact CG2-CG1 4.28Å; V53-V345 HydrophobicContact CG2-CG2 4.4Å; T56-V345 HydrophobicContact CG2-CB 4.09Å; T56-V345 HydrophobicContact CG2-CG1 3.93Å; L329-V345 HydrophobicContact CD2-CG2 3.86Å; D343-V345 VanDerWaalsContact C-N 3.34Å; D343-V345 PolarHBondContact OD1-N 3.35Å; D343-V345 VanDerWaalsContact OD1-N 3.15Å; V345-W347 VanDerWaalsContact C-N 3.33Å; V345-Q348 WeakPolarHBondContact O-CB 3.32Å; V345-Q348 PolarHBondContact O-N 3.17Å; V345-L349 HydrophobicContact CG1-CD1 4.43Å; V345-L349 PolarHBondContact O-N 3.34Å
346	E	98.6	Very high	97.9	Very high	30 Å²	30	27 Å²	27	14%	0.14	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-44.3	175.1	175.4	173.9	163.4	0	0	110.2	T56 K59 M60 D343 L344 Q348 L349 R350	T56-E346 HydrophobicContact CG2-CB 3.73Å; K59-E346 IonicContact NZ-OE2 3.57Å; K59-E346 PolarHBondContact NZ-OE2 3.45Å; M60-E346 HydrophobicContact CE-CG 4.09Å; M60-E346 HydrophobicContact CG-CG 4.44Å; M60-E346 HydrophobicContact SD-CB 4.03Å; M60-E346 HydrophobicContact SD-CG 3.74Å; D343-E346 HydrophobicContact CB-CB 3.71Å; D343-E346 WeakPolarHBondContact O-CB 3.31Å; D343-E346 PolarHBondContact O-N 3.03Å; D343-E346 PolarHBondContact OD1-N 2.81Å; L344-E346 VanDerWaalsContact C-N 3.3Å; E346-Q348 VanDerWaalsContact C-N 3.31Å; E346-Q348 PolarHBondContact O-N 2.81Å; E346-L349 PolarHBondContact O-N 2.54Å; E346-R350 WeakPolarHBondContact O-CG 3.48Å; E346-R350 PolarHBondContact O-N 2.6Å; E346-R350 IonicContact OE1-CZ 3.1Å; E346-R350 IonicContact OE1-NE 2.79Å; E346-R350 PolarHBondContact OE1-NE 3.36Å; E346-R350 IonicContact OE1-NH2 2.81Å; E346-R350 PolarHBondContact OE1-NH2 3.22Å
347	W	98.5	Very high	97.8	Very high	13 Å²	13	28 Å²	28	5%	0.049	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-37.1	174.6	-73.7	28.2	0	0	0	112	F250 V258 L260 T342 D343 L344 V345 L349 R350 V351 L357 P358 L359 I364	F250-W347 HydrophobicContact CB-CE3 4.18Å; F250-W347 HydrophobicContact CB-CZ3 4.3Å; F250-W347 HydrophobicContact CD1-CE3 4.11Å; F250-W347 HydrophobicContact CD2-CB 4.33Å; F250-W347 AromaticContact CD2-CE3 3.86Å; F250-W347 HydrophobicContact CD2-CE3 3.86Å; F250-W347 HydrophobicContact CE1-CB 3.84Å; F250-W347 HydrophobicContact CE2-CB 3.6Å; F250-W347 HydrophobicContact CE2-CE3 4.28Å; F250-W347 AromaticContact CG-CE3 3.76Å; F250-W347 HydrophobicContact CG-CE3 3.76Å; F250-W347 HydrophobicContact CG-CZ3 4.37Å; F250-W347 VanDerWaalsContact CZ-C 3.48Å; F250-W347 HydrophobicContact CZ-CB 3.34Å; V258-W347 HydrophobicContact CG2-CZ3 4.02Å; L260-W347 HydrophobicContact CD1-CZ3 4.38Å; L260-W347 HydrophobicContact CD2-CH2 4.28Å; L260-W347 HydrophobicContact CD2-CZ3 4.27Å; T342-W347 HydrophobicContact CG2-CH2 4.31Å; T342-W347 HydrophobicContact CG2-CZ2 3.79Å; D343-W347 VanDerWaalsContact O-CD1 3.25Å; D343-W347 PolarHBondContact O-N 3.23Å; D343-W347 VanDerWaalsContact O-N 3.08Å; L344-W347 PolarHBondContact O-N 3.44Å; V345-W347 VanDerWaalsContact C-N 3.33Å; W347-L349 PolarHBondContact O-N 3.18Å; W347-R350 PolarHBondContact O-N 2.68Å; W347-V351 WeakPolarHBondContact O-CB 3.46Å; W347-V351 WeakPolarHBondContact O-CG2 3.46Å; W347-V351 PolarHBondContact O-N 2.94Å; W347-L357 HydrophobicContact CE3-CD2 4.44Å; W347-P358 HydrophobicContact CD2-CG 4.09Å; W347-P358 HydrophobicContact CG-CG 4.1Å; W347-P358 HydrophobicContact CZ2-CB 4.27Å; W347-P358 HydrophobicContact CZ2-CG 4.41Å; W347-L359 HydrophobicContact CH2-CB 3.96Å; W347-L359 HydrophobicContact CH2-CD1 4.2Å; W347-L359 HydrophobicContact CH2-CG 4.26Å; W347-L359 HydrophobicContact CZ2-CB 4.08Å; W347-L359 HydrophobicContact CZ2-CD1 3.8Å; W347-L359 HydrophobicContact CZ2-CG 3.87Å; W347-I364 HydrophobicContact CH2-CD1 4.31Å
348	Q	98.5	Very high	97.6	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-44.4	178.9	-79.6	-177.2	-79	0	0	110.6	H115 I139 F250 A307 L344 V345 E346 A352	H115-Q348 PolarHBondContact NE2-OE1 2.98Å; I139-Q348 HydrophobicContact CG2-CB 3.7Å; F250-Q348 HydrophobicContact CE2-CG 4.07Å; F250-Q348 HydrophobicContact CZ-CB 4.24Å; F250-Q348 HydrophobicContact CZ-CG 3.59Å; A307-Q348 HydrophobicContact CB-CG 3.92Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 2.74Å; V345-Q348 WeakPolarHBondContact O-CB 3.32Å; V345-Q348 PolarHBondContact O-N 3.17Å; E346-Q348 VanDerWaalsContact C-N 3.31Å; E346-Q348 PolarHBondContact O-N 2.81Å; Q348-A352 WeakPolarHBondContact O-CB 3.15Å; Q348-A352 PolarHBondContact O-N 3.16Å
349	L	98.1	Very high	97.6	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-44.2	176.6	-72.7	166.1	0	0	0	112.1	I38 T56 M60 I139 V345 E346 W347 A353	I38-L349 HydrophobicContact CG2-CD2 4.38Å; T56-L349 HydrophobicContact CG2-CD1 4.37Å; M60-L349 HydrophobicContact CE-CB 4.07Å; M60-L349 HydrophobicContact CE-CD1 4.46Å; M60-L349 HydrophobicContact SD-CB 4.17Å; M60-L349 HydrophobicContact SD-CD1 3.59Å; M60-L349 VanDerWaalsContact SD-CD1 3.59Å; I139-L349 HydrophobicContact CD1-CD2 3.64Å; V345-L349 HydrophobicContact CG1-CD1 4.43Å; V345-L349 PolarHBondContact O-N 3.34Å; E346-L349 PolarHBondContact O-N 2.54Å; W347-L349 PolarHBondContact O-N 3.18Å; L349-A353 WeakPolarHBondContact O-CB 3.32Å; L349-A353 PolarHBondContact O-N 3.24Å
350	R	97.6	Very high	97.5	Very high	77 Å²	77	36.4 Å²	36.4	29%	0.291	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-48.8	178.3	-71	176.1	-177.6	-130.2	9.5	112.4	M60 E346 W347 A352 A353 G354 E355	M60-R350 HydrophobicContact CE-CG 4.08Å; E346-R350 WeakPolarHBondContact O-CG 3.48Å; E346-R350 PolarHBondContact O-N 2.6Å; E346-R350 IonicContact OE1-CZ 3.1Å; E346-R350 IonicContact OE1-NE 2.79Å; E346-R350 PolarHBondContact OE1-NE 3.36Å; E346-R350 IonicContact OE1-NH2 2.81Å; E346-R350 PolarHBondContact OE1-NH2 3.22Å; W347-R350 PolarHBondContact O-N 2.68Å; R350-A352 VanDerWaalsContact C-N 3.34Å; R350-A352 PolarHBondContact O-N 2.97Å; R350-A353 CarbonylContact O-C 3.6Å; R350-A353 WeakPolarHBondContact O-CA 3.46Å; R350-A353 WeakPolarHBondContact O-CB 3.27Å; R350-A353 PolarHBondContact O-N 3.25Å; R350-A353 VanDerWaalsContact O-N 3.14Å; R350-G354 PolarHBondContact O-N 3.2Å; R350-E355 HydrophobicContact CB-CB 4.2Å; R350-E355 HydrophobicContact CB-CG 4.42Å; R350-E355 IonicContact NH1-OE2 3.94Å; R350-E355 VanDerWaalsContact O-CB 3.26Å; R350-E355 WeakPolarHBondContact O-CB 3.38Å; R350-E355 PolarHBondContact O-N 2.7Å
351	V	97.3	Very high	97.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-39.7	179.6	165.3	0	0	0	0	111.2	F250 G251 D252 V305 W347 A353 G354 L357	F250-V351 HydrophobicContact CD1-CG2 4.45Å; F250-V351 HydrophobicContact CE1-CB 4.3Å; F250-V351 HydrophobicContact CE1-CG2 3.91Å; G251-V351 WeakPolarHBondContact O-CG1 3.28Å; D252-V351 HydrophobicContact CB-CG1 4.05Å; D252-V351 HydrophobicContact CB-CG2 3.97Å; V305-V351 HydrophobicContact CG1-CG1 3.57Å; W347-V351 WeakPolarHBondContact O-CB 3.46Å; W347-V351 WeakPolarHBondContact O-CG2 3.46Å; W347-V351 PolarHBondContact O-N 2.94Å; V351-A353 PolarHBondContact O-N 3.13Å; V351-G354 WeakPolarHBondContact O-CA 3.49Å; V351-G354 PolarHBondContact O-N 2.94Å; V351-L357 HydrophobicContact CG2-CD2 4.1Å
352	A	97.1	Very high	97.5	Very high	9 Å²	9	42.8 Å²	42.8	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-29	174.8	0	0	0	0	0	112.5	I38 I137 I139 Q348 R350 G354	I38-A352 HydrophobicContact CD1-CB 3.9Å; I137-A352 HydrophobicContact CG2-CB 3.88Å; I139-A352 HydrophobicContact CB-CB 4.27Å; I139-A352 HydrophobicContact CG1-CB 3.78Å; I139-A352 HydrophobicContact CG2-CB 4.1Å; Q348-A352 WeakPolarHBondContact O-CB 3.15Å; Q348-A352 PolarHBondContact O-N 3.16Å; R350-A352 VanDerWaalsContact C-N 3.34Å; R350-A352 PolarHBondContact O-N 2.97Å; A352-G354 PolarHBondContact O-N 2.69Å
353	A	96.2	Very high	97.5	Very high	9 Å²	9	45.9 Å²	45.9	7%	0.074	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-1.2	170.1	0	0	0	0	0	113.8	V35 G36 I38 L349 R350 V351	V35-A353 CarbonylContact C-O 3.51Å; V35-A353 WeakPolarHBondContact CA-O 3.42Å; V35-A353 WeakPolarHBondContact CG1-O 3.43Å; G36-A353 PolarHBondContact N-O 2.88Å; G36-A353 VanDerWaalsContact O-CA 3.29Å; G36-A353 WeakPolarHBondContact O-CA 3.47Å; G36-A353 WeakPolarHBondContact O-CB 3.33Å; I38-A353 HydrophobicContact CD1-CB 4.15Å; I38-A353 HydrophobicContact CG1-CB 4.2Å; L349-A353 WeakPolarHBondContact O-CB 3.32Å; L349-A353 PolarHBondContact O-N 3.24Å; R350-A353 CarbonylContact O-C 3.6Å; R350-A353 WeakPolarHBondContact O-CA 3.46Å; R350-A353 WeakPolarHBondContact O-CB 3.27Å; R350-A353 PolarHBondContact O-N 3.25Å; R350-A353 VanDerWaalsContact O-N 3.14Å; V351-A353 PolarHBondContact O-N 3.13Å
354	G	95.7	Very high	97.5	Very high	18 Å²	18	45.2 Å²	45.2	19%	0.186	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	6.8	-179.8	0	0	0	0	0	114.4	H254 R350 V351 A352	H254-G354 PolarHBondContact NE2-O 3.45Å; R350-G354 PolarHBondContact O-N 3.2Å; V351-G354 WeakPolarHBondContact O-CA 3.49Å; V351-G354 PolarHBondContact O-N 2.94Å; A352-G354 PolarHBondContact O-N 2.69Å
355	E	96.6	Very high	97.4	Very high	74 Å²	74	49.6 Å²	49.6	35%	0.346	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-68.4	159	172.9	-60.6	-177.7	-147.3	0	0	111.6	V35 R350	V35-E355 HydrophobicContact CG1-CG 4.39Å; R350-E355 HydrophobicContact CB-CB 4.2Å; R350-E355 HydrophobicContact CB-CG 4.42Å; R350-E355 IonicContact NH1-OE2 3.94Å; R350-E355 VanDerWaalsContact O-CB 3.26Å; R350-E355 WeakPolarHBondContact O-CB 3.38Å; R350-E355 PolarHBondContact O-N 2.7Å
356	R	97.3	Very high	97.4	Very high	149 Å²	149	52.9 Å²	52.9	56%	0.562	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-79.1	163.8	169.6	-70	-179.4	178.9	-169	-0.3	110.8	D252 H254	D252-R356 WeakPolarHBondContact OD2-CA 3.31Å; H254-R356 HydrophobicContact CB-CG 4.31Å; H254-R356 VanDerWaalsContact CD2-CG 3.46Å; H254-R356 WeakPolarHBondContact CD2-CG 3.34Å
357	L	97.1	Very high	97.3	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.115	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-52.3	132.6	171.3	-65.9	178.1	0	0	0	111.5	F250 D252 N256 V258 W347 V351 L359	F250-L357 HydrophobicContact CB-CD2 4.35Å; F250-L357 HydrophobicContact CD1-CD2 3.64Å; F250-L357 HydrophobicContact CE1-CD2 4.44Å; F250-L357 HydrophobicContact CG-CD2 4.35Å; D252-L357 HydrophobicContact CB-CD2 4.11Å; D252-L357 HydrophobicContact CB-CG 3.94Å; D252-L357 PolarHBondContact OD2-N 2.94Å; N256-L357 HydrophobicContact CB-CD1 3.81Å; N256-L357 HydrophobicContact CB-CG 4.32Å; V258-L357 HydrophobicContact CB-CD1 4.39Å; V258-L357 HydrophobicContact CG1-CD1 3.84Å; V258-L357 HydrophobicContact CG2-CD1 3.93Å; W347-L357 HydrophobicContact CE3-CD2 4.44Å; V351-L357 HydrophobicContact CG2-CD2 4.1Å; L357-L359 VanDerWaalsContact C-N 3.27Å; L357-L359 PolarHBondContact O-N 3.44Å
358	P	95.6	Very high	97.3	Very high	53 Å²	53	55 Å²	55	34%	0.344	29%	0.289	S	S	.	.	S	Bend	trans	-66.6	-25.3	-178.7	-26.3	37.5	0	0	0	114.8	W347	W347-P358 HydrophobicContact CD2-CG 4.09Å; W347-P358 HydrophobicContact CG-CG 4.1Å; W347-P358 HydrophobicContact CZ2-CB 4.27Å; W347-P358 HydrophobicContact CZ2-CG 4.41Å
359	L	97.8	Very high	97.3	Very high	60 Å²	60	55.2 Å²	55.2	31%	0.314	29%	0.29	S	S	.	.	S	Bend	trans	-132.1	147.8	-176.7	-63.1	-179.6	0	0	0	110.6	T342 W347 L357 D363 I364	T342-L359 HydrophobicContact CG2-CD1 4.41Å; W347-L359 HydrophobicContact CH2-CB 3.96Å; W347-L359 HydrophobicContact CH2-CD1 4.2Å; W347-L359 HydrophobicContact CH2-CG 4.26Å; W347-L359 HydrophobicContact CZ2-CB 4.08Å; W347-L359 HydrophobicContact CZ2-CD1 3.8Å; W347-L359 HydrophobicContact CZ2-CG 3.87Å; L357-L359 VanDerWaalsContact C-N 3.27Å; L357-L359 PolarHBondContact O-N 3.44Å; L359-D363 HydrophobicContact CB-CB 4.14Å; L359-D363 HydrophobicContact CD2-CB 4.05Å; L359-I364 HydrophobicContact CB-CG1 4.12Å; L359-I364 HydrophobicContact CD1-CG1 4.25Å
360	L	97.4	Very high	97.4	Very high	106 Å²	106	54.9 Å²	54.9	56%	0.555	29%	0.289	S	S	*	.			trans	-83.8	165.7	167.5	-57.3	177	0	0	0	110.2	E362 D363 I364	L360-E362 HydrophobicContact CB-CG 4.17Å; L360-E362 PolarHBondContact O-N 2.97Å; L360-D363 WeakPolarHBondContact CB-OD2 3.16Å; L360-D363 PolarHBondContact N-OD2 2.67Å; L360-D363 VanDerWaalsContact N-OD2 3.09Å; L360-D363 PolarHBondContact O-N 2.92Å; L360-I364 PolarHBondContact O-N 3.47Å
361	Q	98.1	Very high	97.4	Very high	57 Å²	57	51.2 Å²	51.2	27%	0.266	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56.6	-35.7	-179.3	-174.2	61.1	67.2	0	0	113.1	V258 Y259 D363	V258-Q361 HydrophobicContact CG1-CB 4.28Å; Y259-Q361 VanDerWaalsContact CD1-CD 3.4Å; Y259-Q361 HydrophobicContact CD1-CG 4.4Å; Y259-Q361 HydrophobicContact CE1-CG 3.91Å; Y259-Q361 PolarHBondContact O-NE2 3.2Å; Q361-D363 VanDerWaalsContact C-N 3.32Å
362	E	97	Very high	97.5	Very high	168 Å²	168	51.2 Å²	51.2	79%	0.785	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-75	-19	179.9	59.4	-169.3	-155.9	0	0	113.9	L360	L360-E362 HydrophobicContact CB-CG 4.17Å; L360-E362 PolarHBondContact O-N 2.97Å
363	D	97.7	Very high	97.6	Very high	81 Å²	81	50.8 Å²	50.8	43%	0.433	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-86.9	-13.5	177.4	-58.2	-49.6	0	0	0	112.4	L359 L360 Q361 T365	L359-D363 HydrophobicContact CB-CB 4.14Å; L359-D363 HydrophobicContact CD2-CB 4.05Å; L360-D363 WeakPolarHBondContact CB-OD2 3.16Å; L360-D363 PolarHBondContact N-OD2 2.67Å; L360-D363 VanDerWaalsContact N-OD2 3.09Å; L360-D363 PolarHBondContact O-N 2.92Å; Q361-D363 VanDerWaalsContact C-N 3.32Å; D363-T365 PolarHBondContact O-N 3.24Å
364	I	98.1	Very high	97.7	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.056	27%	0.271	C	S	.	.			trans	-84	104.4	-178.6	-60.7	166.9	0	0	0	108.8	V258 L260 F261 T340 W347 L359 L360	V258-I364 HydrophobicContact CB-CD1 3.8Å; V258-I364 HydrophobicContact CG1-CD1 4.31Å; V258-I364 HydrophobicContact CG2-CD1 3.72Å; L260-I364 HydrophobicContact CG-CD1 4.36Å; F261-I364 HydrophobicContact CE2-CG2 3.84Å; F261-I364 HydrophobicContact CZ-CG2 4.44Å; F261-I364 WeakPolarHBondContact CZ-O 3.25Å; T340-I364 HydrophobicContact CG2-CG2 4Å; W347-I364 HydrophobicContact CH2-CD1 4.31Å; L359-I364 HydrophobicContact CB-CG1 4.12Å; L359-I364 HydrophobicContact CD1-CG1 4.25Å; L360-I364 PolarHBondContact O-N 3.47Å
365	T	97	Very high	97.8	Very high	92 Å²	92	50.4 Å²	50.4	56%	0.564	26%	0.262	S	S	*	.			trans	-91.8	143.3	-178.8	57.9	0	0	0	0	112.2	D363	D363-T365 PolarHBondContact O-N 3.24Å
366	L	97.7	Very high	97.8	Very high	68 Å²	68	47.1 Å²	47.1	36%	0.356	25%	0.247	S	C	.	.			trans	-93.1	121.5	169.6	180	62.1	0	0	0	109.6	F261 P279 I339	F261-L366 HydrophobicContact CD1-CB 4.44Å; F261-L366 HydrophobicContact CD1-CD2 4.48Å; F261-L366 HydrophobicContact CD2-CB 4.09Å; F261-L366 HydrophobicContact CD2-CD1 3.87Å; F261-L366 HydrophobicContact CE1-CB 3.98Å; F261-L366 HydrophobicContact CE2-CB 3.61Å; F261-L366 HydrophobicContact CE2-CD1 4.25Å; F261-L366 HydrophobicContact CG-CB 4.49Å; F261-L366 HydrophobicContact CG-CD1 4.05Å; F261-L366 HydrophobicContact CZ-CB 3.56Å; P279-L366 HydrophobicContact CB-CD1 4.27Å; P279-L366 HydrophobicContact CB-CD2 4.32Å; P279-L366 HydrophobicContact CG-CD1 4.23Å; P279-L366 HydrophobicContact CG-CD2 4.25Å; I339-L366 HydrophobicContact CB-CD1 4.05Å; I339-L366 HydrophobicContact CD1-CD1 3.56Å; I339-L366 HydrophobicContact CG1-CD1 4.13Å
367	S	97.6	Very high	97.8	Very high	64 Å²	64	40 Å²	40	45%	0.448	22%	0.22	S	C	.	.			trans	-133.1	127.2	178.3	-175	0	0	0	0	112.3	I339 W429	I339-S367 WeakPolarHBondContact CA-O 3.29Å; I339-S367 PolarHBondContact O-N 2.86Å; S367-W429 PolarHBondContact O-NE1 3.48Å
368	G	98.3	Very high	97.7	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	22%	0.215	C	C	.	.	S	Bend	trans	62.1	-153.7	177.3	0	0	0	0	0	114.2	G430 E431	G368-G430 CarbonylContact C-O 3.5Å; G368-G430 VanDerWaalsContact CA-O 3.27Å; G368-G430 WeakPolarHBondContact CA-O 3.44Å; G368-E431 WeakPolarHBondContact CA-O 3.46Å
369	H	98.9	Very high	97.5	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.051	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.8	-178.9	-159.1	100.4	0	0	0	110	E277 A278 P279 F371 W429 G430 R433 A436	E277-H369 IonicContact OE2-CE1 3.76Å; E277-H369 PolarHBondContact OE2-CE1 3.35Å; E277-H369 IonicContact OE2-NE2 3.8Å; E277-H369 PolarHBondContact OE2-NE2 3.44Å; A278-H369 CarbonylContact O-C 3.5Å; A278-H369 WeakPolarHBondContact O-CA 3.39Å; P279-H369 PolarHBondContact O-CE1 2.69Å; H369-F371 AromaticContact CD2-CD2 4Å; H369-F371 AromaticContact CD2-CE2 3.63Å; H369-F371 AromaticContact CD2-CZ 4Å; H369-F371 AromaticContact NE2-CE2 3.89Å; H369-F371 AromaticContact NE2-CZ 3.75Å; H369-W429 CarbonylContact O-C 3.51Å; H369-W429 VanDerWaalsContact O-CA 3.3Å; H369-W429 WeakPolarHBondContact O-CA 2.92Å; H369-G430 PolarHBondContact N-O 3.18Å; H369-G430 PolarHBondContact O-N 3.03Å; H369-R433 HydrophobicContact CB-CB 4.37Å; H369-A436 HydrophobicContact CB-CB 4.22Å; H369-A436 WeakPolarHBondContact O-CB 3.27Å
370	S	98.9	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.2	177.5	-169.3	0	0	0	0	111.6	E277 A278 M338 V428	E277-S370 CarbonylContact C-O 3.54Å; E277-S370 VanDerWaalsContact CA-O 3.27Å; E277-S370 WeakPolarHBondContact CA-O 3.39Å; A278-S370 PolarHBondContact N-O 3.06Å; A278-S370 PolarHBondContact O-N 3.16Å; M338-S370 WeakPolarHBondContact CB-OG 3.16Å; S370-V428 WeakPolarHBondContact CA-O 3.24Å; S370-V428 WeakPolarHBondContact CB-O 3.21Å; S370-V428 PolarHBondContact OG-O 3Å
371	F	98.9	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.4	168.6	-74.2	-80.8	0	0	0	109.2	I275 E276 E277 H369 V427 V428 R433 A436 L437 L440 F468	I275-F371 HydrophobicContact CG2-CD1 4Å; E276-F371 CarbonylContact O-C 3.24Å; E276-F371 WeakPolarHBondContact O-CA 3.48Å; E277-F371 HydrophobicContact CB-CD1 3.48Å; E277-F371 VanDerWaalsContact CB-CD1 3.48Å; E277-F371 HydrophobicContact CB-CE1 3.47Å; E277-F371 VanDerWaalsContact CB-CE1 3.47Å; E277-F371 HydrophobicContact CB-CG 4.32Å; E277-F371 HydrophobicContact CB-CZ 4.31Å; E277-F371 VanDerWaalsContact CD-CE1 3.47Å; E277-F371 HydrophobicContact CG-CD1 4.48Å; E277-F371 HydrophobicContact CG-CE1 4.06Å; E277-F371 WeakPolarHBondContact OE2-CE1 3.26Å; E277-F371 WeakPolarHBondContact OE2-CZ 3.33Å; H369-F371 AromaticContact CD2-CD2 4Å; H369-F371 AromaticContact CD2-CE2 3.63Å; H369-F371 AromaticContact CD2-CZ 4Å; H369-F371 AromaticContact NE2-CE2 3.89Å; H369-F371 AromaticContact NE2-CZ 3.75Å; F371-V427 CarbonylContact O-C 3.56Å; F371-V427 WeakPolarHBondContact O-CA 3.24Å; F371-V428 HydrophobicContact CB-CG2 4.02Å; F371-V428 PolarHBondContact N-O 3.28Å; F371-V428 PolarHBondContact O-N 3.28Å; F371-R433 HydrophobicContact CE2-CG 3.86Å; F371-R433 WeakPolarHBondContact CE2-O 3.25Å; F371-R433 HydrophobicContact CZ-CG 3.63Å; F371-A436 HydrophobicContact CD2-CB 3.7Å; F371-A436 HydrophobicContact CE2-CB 3.97Å; F371-L437 HydrophobicContact CD2-CB 4.4Å; F371-L437 HydrophobicContact CE2-CB 3.76Å; F371-L437 HydrophobicContact CE2-CD1 4.38Å; F371-L437 HydrophobicContact CZ-CB 4.28Å; F371-L437 HydrophobicContact CZ-CD1 4.39Å; F371-L440 HydrophobicContact CB-CD1 4.41Å; F371-L440 HydrophobicContact CB-CD2 3.91Å; F371-L440 HydrophobicContact CG-CD2 4.18Å; F371-F468 HydrophobicContact CD1-CZ 4.18Å; F371-F468 AromaticContact CE1-CE1 3.88Å; F371-F468 HydrophobicContact CE1-CE1 3.88Å; F371-F468 AromaticContact CE1-CZ 3.65Å; F371-F468 HydrophobicContact CE1-CZ 3.65Å; F371-F468 HydrophobicContact CZ-CE1 4.37Å
372	E	98.8	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.4	164.6	176.2	173.8	118.1	0	0	109.3	I275 E276 E332 P334 V335 K425 L426 V427	I275-E372 VanDerWaalsContact CA-O 3.3Å; I275-E372 WeakPolarHBondContact CA-O 3.3Å; I275-E372 WeakPolarHBondContact CG2-O 3.31Å; E276-E372 PolarHBondContact N-O 3.14Å; E276-E372 PolarHBondContact O-N 2.98Å; E332-E372 VanDerWaalsContact CA-OE1 3.28Å; E332-E372 WeakPolarHBondContact CA-OE1 3.3Å; P334-E372 WeakPolarHBondContact CB-OE2 2.98Å; P334-E372 VanDerWaalsContact CD-OE2 3.29Å; P334-E372 WeakPolarHBondContact CD-OE2 3.3Å; P334-E372 VanDerWaalsContact CG-OE2 3.32Å; P334-E372 WeakPolarHBondContact CG-OE2 3.47Å; V335-E372 HydrophobicContact CG1-CB 3.38Å; E372-K425 HydrophobicContact CG-CB 4.04Å; E372-K425 WeakPolarHBondContact OE1-CD 3.47Å; E372-L426 CarbonylContact C-O 3.6Å; E372-L426 VanDerWaalsContact CA-O 3.26Å; E372-L426 WeakPolarHBondContact CA-O 3.29Å; E372-V427 HydrophobicContact CB-CG2 4.27Å; E372-V427 HydrophobicContact CG-CG2 4.01Å; E372-V427 WeakPolarHBondContact OE2-CG2 3.13Å
373	A	98.7	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.3	170.1	0	0	0	0	0	109.7	I275 L426 L440 L444 L459	I275-A373 HydrophobicContact CG1-CB 4.34Å; A373-L426 PolarHBondContact N-O 3.28Å; A373-L426 PolarHBondContact O-N 3.24Å; A373-L440 HydrophobicContact CB-CD1 3.99Å; A373-L444 HydrophobicContact CB-CD2 4.5Å; A373-L459 HydrophobicContact CB-CD1 4.15Å; A373-L459 HydrophobicContact CB-CD2 4.26Å
374	R	98.4	Very high	95.3	Very high	20 Å²	20	29 Å²	29	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	114.3	175.9	-57.8	-169.9	-168.5	-162	-2.5	110.4	K273 I274 E276 E332 Y376 M422 N455	K273-R374 WeakPolarHBondContact O-CD 3.45Å; I274-R374 PolarHBondContact O-N 3.33Å; I274-R374 VanDerWaalsContact O-N 3.12Å; E276-R374 IonicContact OE1-CZ 2.69Å; E276-R374 IonicContact OE1-NE 3.47Å; E276-R374 PolarHBondContact OE1-NE 2.79Å; E276-R374 IonicContact OE1-NH2 3.45Å; E276-R374 PolarHBondContact OE1-NH2 3.48Å; E276-R374 IonicContact OE2-NE 3.96Å; E332-R374 IonicContact OE1-NH2 2.81Å; E332-R374 IonicContact OE2-NH2 3.76Å; E332-R374 PolarHBondContact OE2-NH2 3.1Å; R374-Y376 HydrophobicContact CB-CD2 3.8Å; R374-Y376 HydrophobicContact CB-CE2 3.51Å; R374-Y376 HydrophobicContact CG-CE2 4.32Å; R374-Y376 PolarHBondContact O-N 3.43Å; R374-M422 HydrophobicContact CB-SD 4.28Å; R374-M422 HydrophobicContact CG-SD 4.23Å; R374-N455 PolarHBondContact O-ND2 3.32Å; R374-N455 PolarHBondContact O-OD1 2.87Å
375	I	98.2	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.1	177	-48	-58.8	0	0	0	107.9	I423 A424 L426 L444 Y447 I449 I456 L459	I375-I423 HydrophobicContact CG2-CB 4.33Å; I375-I423 WeakPolarHBondContact O-CB 3.42Å; I375-I423 PolarHBondContact O-N 3.14Å; I375-A424 HydrophobicContact CB-CB 4.37Å; I375-A424 WeakPolarHBondContact CB-O 3.42Å; I375-A424 HydrophobicContact CG1-CB 4.41Å; I375-A424 PolarHBondContact N-O 2.87Å; I375-A424 PolarHBondContact O-N 3.17Å; I375-L426 HydrophobicContact CD1-CB 4.44Å; I375-L426 HydrophobicContact CG1-CB 4.5Å; I375-L444 HydrophobicContact CD1-CD2 3.77Å; I375-Y447 HydrophobicContact CD1-CE2 4.45Å; I375-Y447 HydrophobicContact CG1-CE1 4.37Å; I375-Y447 HydrophobicContact CG1-CE2 4.34Å; I375-I449 HydrophobicContact CG2-CD1 4.12Å; I375-I456 HydrophobicContact CD1-CG1 4.26Å; I375-I456 HydrophobicContact CG2-CD1 4.1Å; I375-I456 HydrophobicContact CG2-CG1 3.98Å; I375-L459 HydrophobicContact CD1-CD1 3.72Å
376	Y	97.4	Very high	94.4	Very high	5 Å²	5	25 Å²	25	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142	-176.9	-85.9	-74.3	0	0	0	111.7	Q272 R374 E378 D420 P421 M422 T454 N455	Q272-Y376 HydrophobicContact CG-CE2 4.49Å; Q272-Y376 VanDerWaalsContact NE2-CZ 3.31Å; R374-Y376 HydrophobicContact CB-CD2 3.8Å; R374-Y376 HydrophobicContact CB-CE2 3.51Å; R374-Y376 HydrophobicContact CG-CE2 4.32Å; R374-Y376 PolarHBondContact O-N 3.43Å; Y376-E378 PolarHBondContact O-N 3.48Å; Y376-D420 VanDerWaalsContact CE1-OD1 3.31Å; Y376-D420 WeakPolarHBondContact CE1-OD1 3.35Å; Y376-P421 VanDerWaalsContact CD1-C 3.41Å; Y376-P421 HydrophobicContact CD1-CB 3.88Å; Y376-P421 HydrophobicContact CD1-CG 3.67Å; Y376-P421 HydrophobicContact CE1-CB 4.48Å; Y376-P421 HydrophobicContact CE1-CG 3.94Å; Y376-M422 HydrophobicContact CD1-CB 3.94Å; Y376-M422 VanDerWaalsContact CD1-N 3.29Å; Y376-M422 HydrophobicContact CE1-CB 3.49Å; Y376-M422 VanDerWaalsContact CE1-CB 3.49Å; Y376-M422 HydrophobicContact CE1-CG 4.31Å; Y376-M422 VanDerWaalsContact CE1-N 3.33Å; Y376-T454 VanDerWaalsContact O-CA 3.25Å; Y376-T454 WeakPolarHBondContact O-CA 3.21Å; Y376-T454 WeakPolarHBondContact O-CB 3.46Å; Y376-N455 PolarHBondContact N-OD1 2.88Å; Y376-N455 PolarHBondContact O-N 3.06Å
377	A	96.3	Very high	94	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-74.3	71.8	161.8	0	0	0	0	0	109.4	P386 G387 V415 P421 I423 L452 N453	A377-P386 CarbonylContact O-C 3.49Å; A377-P386 WeakPolarHBondContact O-CA 3.4Å; A377-G387 PolarHBondContact O-N 3.06Å; A377-V415 HydrophobicContact CB-CG1 4.1Å; A377-V415 HydrophobicContact CB-CG2 4.43Å; A377-P421 HydrophobicContact CB-CB 4.2Å; A377-P421 PolarHBondContact N-O 2.76Å; A377-I423 HydrophobicContact CB-CD1 4.01Å; A377-I423 HydrophobicContact CB-CG1 4.15Å; A377-L452 HydrophobicContact CB-CD1 4.02Å; A377-N453 CarbonylContact C-O 3.6Å; A377-N453 WeakPolarHBondContact CA-O 3.39Å
378	E	94.6	Very high	93.6	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.1	179.1	-75.2	174.6	175	0	0	109.6	Q272 Y376 P380 F384 L385 P386 P421 N453 T454	Q272-E378 PolarHBondContact NE2-OE1 2.84Å; Y376-E378 PolarHBondContact O-N 3.48Å; E378-P380 VanDerWaalsContact O-CD 3.27Å; E378-P380 WeakPolarHBondContact O-CD 3.48Å; E378-F384 HydrophobicContact CB-CB 4.36Å; E378-L385 WeakPolarHBondContact CA-O 3.35Å; E378-P386 HydrophobicContact CG-CB 4.05Å; E378-P421 HydrophobicContact CG-CG 4.4Å; E378-N453 PolarHBondContact N-O 2.95Å; E378-N453 CarbonylContact O-C 3.56Å; E378-N453 VanDerWaalsContact O-C 3.24Å; E378-T454 CarbonylContact O-C 3.58Å; E378-T454 WeakPolarHBondContact O-CA 3.42Å; E378-T454 PolarHBondContact O-N 3.44Å; E378-T454 VanDerWaalsContact O-N 3.17Å
379	D	92.5	Very high	93.2	Very high	22 Å²	22	20 Å²	20	12%	0.118	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	93.1	175.3	-172.6	-11.6	0	0	0	111.2	N381 N382 F384 L385 N453	D379-N381 PolarHBondContact O-N 2.94Å; D379-N381 VanDerWaalsContact O-N 3.15Å; D379-N381 PolarHBondContact OD1-N 3.3Å; D379-N382 HydrophobicContact CB-CB 4.24Å; D379-N382 CarbonylContact O-C 3.49Å; D379-N382 PolarHBondContact O-N 2.88Å; D379-F384 WeakPolarHBondContact O-CA 3.43Å; D379-F384 PolarHBondContact O-N 3.1Å; D379-L385 PolarHBondContact N-O 3.41Å; D379-N453 HydrophobicContact CB-CB 3.85Å; D379-N453 VanDerWaalsContact CG-ND2 3.35Å; D379-N453 PolarHBondContact OD2-ND2 3.27Å
380	P	91.6	Very high	92.9	Very high	9 Å²	9	22.4 Å²	22.4	6%	0.058	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.5	-177.8	-22.9	32.1	0	0	0	113.7	E378 N382 F384 N455 F458 F486	E378-P380 VanDerWaalsContact O-CD 3.27Å; E378-P380 WeakPolarHBondContact O-CD 3.48Å; P380-N382 PolarHBondContact O-N 3.38Å; P380-F384 HydrophobicContact CB-CD1 4.15Å; P380-F384 HydrophobicContact CB-CE1 3.81Å; P380-F384 HydrophobicContact CB-CE2 4.4Å; P380-F384 HydrophobicContact CB-CZ 3.95Å; P380-F384 HydrophobicContact CG-CD1 4.21Å; P380-F384 HydrophobicContact CG-CE1 4.01Å; P380-N455 HydrophobicContact CG-CB 4Å; P380-F458 HydrophobicContact CB-CB 3.84Å; P380-F458 HydrophobicContact CB-CG 4.28Å; P380-F458 HydrophobicContact CG-CB 3.68Å; P380-F458 HydrophobicContact CG-CG 4.39Å; P380-F486 HydrophobicContact CB-CD1 4.41Å; P380-F486 HydrophobicContact CB-CE1 3.75Å; P380-F486 VanDerWaalsContact O-CE1 3.31Å; P380-F486 WeakPolarHBondContact O-CE1 3.46Å
381	N	87.9	Confident	92.7	Very high	122 Å²	122	22.4 Å²	22.4	65%	0.652	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-75.3	-12.1	-179.7	-64.9	-46.7	0	0	0	112.9	D379	D379-N381 PolarHBondContact O-N 2.94Å; D379-N381 VanDerWaalsContact O-N 3.15Å; D379-N381 PolarHBondContact OD1-N 3.3Å
382	N	86.7	Confident	92.4	Very high	79 Å²	79	26.5 Å²	26.5	42%	0.422	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-126.8	55.9	-178.9	-162.1	13.9	0	0	0	110.5	D379 P380 F384 L385	D379-N382 HydrophobicContact CB-CB 4.24Å; D379-N382 CarbonylContact O-C 3.49Å; D379-N382 PolarHBondContact O-N 2.88Å; P380-N382 PolarHBondContact O-N 3.38Å; N382-F384 PolarHBondContact O-N 3.06Å; N382-F384 VanDerWaalsContact O-N 3.16Å; N382-L385 VanDerWaalsContact O-CG 3.23Å; N382-L385 WeakPolarHBondContact O-CG 3.34Å; N382-L385 PolarHBondContact O-N 3.43Å; N382-L385 VanDerWaalsContact O-N 3.11Å
383	D	86.1	Confident	92.2	Very high	74 Å²	74	27.5 Å²	27.5	40%	0.396	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.3	-177.6	-168.7	27.5	0	0	0	114.2	R269 R270 L385	R269-D383 PolarHBondContact NH2-O 3.36Å; R269-D383 IonicContact NH2-OD1 2.93Å; R269-D383 PolarHBondContact NH2-OD1 3.28Å; R269-D383 VanDerWaalsContact NH2-OD1 3.13Å; R269-D383 IonicContact NH2-OD2 3.15Å; R270-D383 IonicContact CZ-OD1 3.26Å; R270-D383 IonicContact CZ-OD2 2.74Å; R270-D383 IonicContact NH1-OD1 2.68Å; R270-D383 IonicContact NH1-OD2 3.99Å; R270-D383 PolarHBondContact NH1-OD2 3.41Å; R270-D383 VanDerWaalsContact NH2-CG 3.25Å; R270-D383 IonicContact NH2-OD1 2.88Å; R270-D383 PolarHBondContact NH2-OD1 2.92Å; R270-D383 IonicContact NH2-OD2 2.71Å; R270-D383 PolarHBondContact NH2-OD2 2.89Å; D383-L385 PolarHBondContact O-N 2.69Å
384	F	89.6	Confident	92	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.026	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	39.8	-179.5	-61	-103.6	0	0	0	112.2	R269 E378 D379 P380 N382 F458 F486	R269-F384 HydrophobicContact CG-CE2 4.42Å; R269-F384 VanDerWaalsContact NH1-CB 3.29Å; E378-F384 HydrophobicContact CB-CB 4.36Å; D379-F384 WeakPolarHBondContact O-CA 3.43Å; D379-F384 PolarHBondContact O-N 3.1Å; P380-F384 HydrophobicContact CB-CD1 4.15Å; P380-F384 HydrophobicContact CB-CE1 3.81Å; P380-F384 HydrophobicContact CB-CE2 4.4Å; P380-F384 HydrophobicContact CB-CZ 3.95Å; P380-F384 HydrophobicContact CG-CD1 4.21Å; P380-F384 HydrophobicContact CG-CE1 4.01Å; N382-F384 PolarHBondContact O-N 3.06Å; N382-F384 VanDerWaalsContact O-N 3.16Å; F384-F458 AromaticContact CE1-CD1 3.74Å; F384-F458 HydrophobicContact CE1-CD1 3.74Å; F384-F458 AromaticContact CE1-CE1 3.79Å; F384-F458 HydrophobicContact CE1-CE1 3.79Å; F384-F458 HydrophobicContact CE1-CG 4.15Å; F384-F458 HydrophobicContact CE1-CZ 4.27Å; F384-F458 AromaticContact CZ-CD1 3.98Å; F384-F458 HydrophobicContact CZ-CD1 3.98Å; F384-F458 HydrophobicContact CZ-CD2 4.09Å; F384-F458 AromaticContact CZ-CE1 3.79Å; F384-F458 HydrophobicContact CZ-CE1 3.79Å; F384-F458 AromaticContact CZ-CE2 3.93Å; F384-F458 HydrophobicContact CZ-CE2 3.93Å; F384-F458 HydrophobicContact CZ-CG 4.11Å; F384-F458 AromaticContact CZ-CZ 3.78Å; F384-F458 HydrophobicContact CZ-CZ 3.78Å; F384-F486 AromaticContact CE2-CE1 3.76Å; F384-F486 HydrophobicContact CE2-CE1 3.76Å; F384-F486 AromaticContact CE2-CZ 3.44Å; F384-F486 HydrophobicContact CE2-CZ 3.44Å; F384-F486 VanDerWaalsContact CE2-CZ 3.44Å; F384-F486 AromaticContact CZ-CE1 3.81Å; F384-F486 HydrophobicContact CZ-CE1 3.81Å; F384-F486 AromaticContact CZ-CZ 3.52Å; F384-F486 HydrophobicContact CZ-CZ 3.52Å
385	L	87.2	Confident	91.7	Very high	16 Å²	16	29 Å²	29	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	127.5	171.5	-78.4	174.8	0	0	0	108.7	E378 D379 N382 D383 P641 M642	E378-L385 WeakPolarHBondContact CA-O 3.35Å; D379-L385 PolarHBondContact N-O 3.41Å; N382-L385 VanDerWaalsContact O-CG 3.23Å; N382-L385 WeakPolarHBondContact O-CG 3.34Å; N382-L385 PolarHBondContact O-N 3.43Å; N382-L385 VanDerWaalsContact O-N 3.11Å; D383-L385 PolarHBondContact O-N 2.69Å; L385-P641 HydrophobicContact CD1-CB 4.12Å; L385-M642 HydrophobicContact CD2-SD 3.94Å
386	P	89.1	Confident	91.5	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	144.3	-176	32.7	-34.6	0	0	0	110.1	A377 E378 P421 M642 M669 M671	A377-P386 CarbonylContact O-C 3.49Å; A377-P386 WeakPolarHBondContact O-CA 3.4Å; E378-P386 HydrophobicContact CG-CB 4.05Å; P386-P421 HydrophobicContact CB-CB 4.1Å; P386-P421 HydrophobicContact CB-CG 3.88Å; P386-M642 HydrophobicContact CG-CE 3.38Å; P386-M642 WeakPolarHBondContact O-CE 3.3Å; P386-M669 HydrophobicContact CB-SD 3.62Å; P386-M669 HydrophobicContact CG-CB 4.32Å; P386-M669 HydrophobicContact CG-SD 4.08Å; P386-M671 HydrophobicContact CG-CE 3.77Å
387	G	87.7	Confident	91.3	Very high	18 Å²	18	31.6 Å²	31.6	19%	0.186	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-99.5	141.8	179.9	0	0	0	0	0	111.2	A377	A377-G387 PolarHBondContact O-N 3.06Å
388	A	89.4	Confident	91.1	Very high	19 Å²	19	35.4 Å²	35.4	16%	0.157	22%	0.217	C	C	.	.			trans	-127.6	140.6	168	0	0	0	0	0	109.1	V415 A417	A388-V415 CarbonylContact C-O 3.59Å; A388-V415 WeakPolarHBondContact CA-O 3.31Å; A388-V415 VanDerWaalsContact CB-O 3.25Å; A388-V415 WeakPolarHBondContact CB-O 3.38Å; A388-A417 HydrophobicContact CB-CB 3.81Å
389	G	90.3	Very high	91.1	Very high	11 Å²	11	38.9 Å²	38.9	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-175.8	-174.8	0	0	0	0	0	113.6	V415	G389-V415 PolarHBondContact N-O 3.29Å; G389-V415 PolarHBondContact O-N 2.96Å
390	P	92.5	Very high	91.3	Very high	63 Å²	63	41.8 Å²	41.8	41%	0.409	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.5	-173	31.2	-35.5	0	0	0	112.8	L392 G451	P390-L392 HydrophobicContact CB-CD2 4Å; P390-L392 HydrophobicContact CG-CD2 3.84Å; P390-L392 HydrophobicContact CG-CG 4.28Å; P390-L392 PolarHBondContact O-N 3.49Å; P390-G451 WeakPolarHBondContact O-CA 3.31Å
391	L	95.3	Very high	91.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.296	C	S	.	.			trans	-86.9	81.4	167.9	-62.2	172.4	0	0	0	109	H393 L394 V409 G412 D413 V415 I423 I449 V450 L452	L391-H393 PolarHBondContact O-N 2.86Å; L391-L394 HydrophobicContact CD1-CD2 4.28Å; L391-V409 HydrophobicContact CD1-CB 3.85Å; L391-V409 HydrophobicContact CD1-CG1 4.48Å; L391-V409 HydrophobicContact CD1-CG2 3.64Å; L391-G412 PolarHBondContact O-N 2.75Å; L391-D413 PolarHBondContact N-O 2.67Å; L391-V415 HydrophobicContact CD1-CG2 4.23Å; L391-V415 HydrophobicContact CD2-CG2 4.15Å; L391-V415 HydrophobicContact CG-CG2 4.18Å; L391-I423 HydrophobicContact CD2-CD1 4.24Å; L391-I449 HydrophobicContact CD2-CG2 4.01Å; L391-V450 CarbonylContact C-O 3.57Å; L391-L452 HydrophobicContact CD2-CD1 4.1Å
392	L	93.1	Very high	91.8	Very high	86 Å²	86	46.7 Å²	46.7	45%	0.45	28%	0.28	S	S	.	.	S	Bend	trans	-61.8	-31.3	-176.2	-58.9	177.9	0	0	0	113.2	P390 V450 L603	P390-L392 HydrophobicContact CB-CD2 4Å; P390-L392 HydrophobicContact CG-CD2 3.84Å; P390-L392 HydrophobicContact CG-CG 4.28Å; P390-L392 PolarHBondContact O-N 3.49Å; L392-V450 PolarHBondContact N-O 3.48Å; L392-L603 HydrophobicContact CB-CD1 3.73Å; L392-L603 HydrophobicContact CD1-CD1 4.24Å
393	H	93.6	Very high	92.4	Very high	20 Å²	20	43 Å²	43	9%	0.093	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.1	166.5	-177.4	60	0	0	0	109.1	L391 E411 I449 V450 V601	L391-H393 PolarHBondContact O-N 2.86Å; H393-E411 WeakPolarHBondContact CA-OE2 3.38Å; H393-E411 IonicContact CE1-OE2 2.67Å; H393-E411 IonicContact CG-OE2 2.84Å; H393-E411 IonicContact ND1-OE2 3.47Å; H393-E411 PolarHBondContact ND1-OE2 3.02Å; H393-I449 WeakPolarHBondContact O-CA 3.29Å; H393-V450 HydrophobicContact CB-CB 3.82Å; H393-V450 HydrophobicContact CB-CG2 3.94Å; H393-V450 PolarHBondContact N-O 3.1Å; H393-V450 PolarHBondContact O-N 3.41Å; H393-V601 HydrophobicContact CB-CG1 4.18Å
394	L	94.3	Very high	92.9	Very high	22 Å²	22	42 Å²	42	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	114.5	172.3	173.5	64.2	0	0	0	109.6	L391 T396 V409 E411 N448 I449	L391-L394 HydrophobicContact CD1-CD2 4.28Å; L394-T396 HydrophobicContact CD1-CG2 4.2Å; L394-T396 HydrophobicContact CG-CG2 4.49Å; L394-V409 HydrophobicContact CD2-CG2 4.2Å; L394-E411 HydrophobicContact CB-CB 4.07Å; L394-E411 PolarHBondContact N-OE2 2.81Å; L394-N448 WeakPolarHBondContact CA-O 3.32Å; L394-I449 HydrophobicContact CD1-CD1 3.88Å; L394-I449 HydrophobicContact CD1-CG1 3.65Å
395	S	92.4	Very high	93.3	Very high	29 Å²	29	42.9 Å²	42.9	20%	0.203	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.3	170.6	-168.5	0	0	0	0	109.8	Y447 N448 K599	S395-Y447 WeakPolarHBondContact O-CA 3.37Å; S395-N448 PolarHBondContact N-O 3.35Å; S395-N448 PolarHBondContact O-N 2.91Å; S395-K599 VanDerWaalsContact CB-NZ 3.29Å; S395-K599 PolarHBondContact OG-NZ 3.39Å
396	T	94.4	Very high	93.8	Very high	58 Å²	58	42.3 Å²	42.3	36%	0.356	25%	0.252	S	S	.	.			trans	-110.2	160.3	-177.5	63.9	0	0	0	0	110.3	L394 I405 Y447	L394-T396 HydrophobicContact CD1-CG2 4.2Å; L394-T396 HydrophobicContact CG-CG2 4.49Å; T396-I405 HydrophobicContact CG2-CG2 4.44Å; T396-Y447 HydrophobicContact CG2-CD1 4.12Å; T396-Y447 HydrophobicContact CG2-CE1 3.51Å
397	P	93.8	Very high	94.2	Very high	3 Å²	3	43 Å²	43	2%	0.019	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-56.3	148.8	165.7	24.3	-34.8	0	0	0	110.9	A399 I405 L426 C443 Q446 Y447	P397-A399 PolarHBondContact O-N 3.37Å; P397-I405 HydrophobicContact CG-CD1 3.68Å; P397-I405 HydrophobicContact CG-CG1 4.45Å; P397-L426 HydrophobicContact CG-CD1 4.1Å; P397-C443 HydrophobicContact CB-CB 4.04Å; P397-C443 HydrophobicContact CG-CB 4.02Å; P397-Q446 HydrophobicContact CB-CB 3.95Å; P397-Q446 VanDerWaalsContact CB-OE1 3.26Å; P397-Y447 HydrophobicContact CG-CD2 3.94Å; P397-Y447 HydrophobicContact CG-CE2 3.67Å
398	A	91.9	Very high	94.6	Very high	80 Å²	80	42.5 Å²	42.5	66%	0.661	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-63.4	129.5	175.4	0	0	0	0	0	110.3
399	A	94.8	Very high	95	Very high	75 Å²	75	42.8 Å²	42.8	62%	0.62	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-72.3	138.1	173.6	0	0	0	0	0	110.3	P397 T403	P397-A399 PolarHBondContact O-N 3.37Å; A399-T403 CarbonylContact C-O 3.59Å; A399-T403 WeakPolarHBondContact CA-O 3.4Å
400	D	95.6	Very high	95.2	Very high	83 Å²	83	46.9 Å²	46.9	44%	0.444	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-145.2	-172.9	176.3	69.5	34.2	0	0	0	110	H402 T403 K439	D400-H402 PolarHBondContact O-N 2.86Å; D400-H402 VanDerWaalsContact O-N 3.14Å; D400-H402 VanDerWaalsContact OD1-C 3.26Å; D400-H402 VanDerWaalsContact OD1-CA 3.3Å; D400-H402 WeakPolarHBondContact OD1-CA 3.16Å; D400-H402 PolarHBondContact OD1-N 3.39Å; D400-T403 PolarHBondContact N-O 2.84Å; D400-T403 PolarHBondContact O-N 3.43Å; D400-T403 PolarHBondContact OD1-N 3.17Å; D400-K439 IonicContact OD1-NZ 2.69Å; D400-K439 PolarHBondContact OD1-NZ 3.01Å; D400-K439 IonicContact OD2-NZ 2.74Å; D400-K439 PolarHBondContact OD2-NZ 3.02Å
401	Q	93.9	Very high	95.3	Very high	166 Å²	166	49 Å²	49	78%	0.776	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.3	-180	-176	174.7	-6.8	0	0	113.7
402	H	97.3	Very high	95.2	Very high	69 Å²	69	51.9 Å²	51.9	32%	0.319	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	1.1	-175.7	-50.3	134.1	0	0	0	112.8	D400 V428 W429 K439	D400-H402 PolarHBondContact O-N 2.86Å; D400-H402 VanDerWaalsContact O-N 3.14Å; D400-H402 VanDerWaalsContact OD1-C 3.26Å; D400-H402 VanDerWaalsContact OD1-CA 3.3Å; D400-H402 WeakPolarHBondContact OD1-CA 3.16Å; D400-H402 PolarHBondContact OD1-N 3.39Å; H402-V428 CarbonylContact O-C 3.53Å; H402-V428 VanDerWaalsContact O-CA 3.24Å; H402-V428 WeakPolarHBondContact O-CA 3.27Å; H402-W429 HydrophobicContact CB-CE3 4.37Å; H402-W429 AromaticContact CD2-CE3 3.3Å; H402-W429 AromaticContact CD2-CZ3 3.7Å; H402-W429 AromaticContact CG-CE3 3.88Å; H402-W429 AromaticContact NE2-CE3 3.82Å; H402-W429 AromaticContact NE2-CZ3 3.69Å; H402-W429 PolarHBondContact O-N 3.07Å; H402-K439 HydrophobicContact CB-CD 4.32Å; H402-K439 WeakPolarHBondContact O-CE 3.31Å
403	T	98.3	Very high	95.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119	174.1	-65.4	0	0	0	0	108.7	A399 D400 I405 L426 V427 K439 C443	A399-T403 CarbonylContact C-O 3.59Å; A399-T403 WeakPolarHBondContact CA-O 3.4Å; D400-T403 PolarHBondContact N-O 2.84Å; D400-T403 PolarHBondContact O-N 3.43Å; D400-T403 PolarHBondContact OD1-N 3.17Å; T403-I405 HydrophobicContact CG2-CD1 4.17Å; T403-L426 HydrophobicContact CG2-CD1 4.11Å; T403-V427 WeakPolarHBondContact CA-O 3.27Å; T403-K439 WeakPolarHBondContact OG1-CE 3.49Å; T403-K439 PolarHBondContact OG1-NZ 2.82Å; T403-C443 PolarHBondContact OG1-SG 2.85Å
404	R	97.6	Very high	95.2	Very high	52 Å²	52	54.8 Å²	54.8	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.9	-178.2	173	178.8	-175.3	-173.9	-5.1	109.8	E337 E406 V427	E337-R404 IonicContact OE2-CZ 3.6Å; E337-R404 IonicContact OE2-NH1 3.79Å; E337-R404 PolarHBondContact OE2-NH1 2.91Å; E337-R404 IonicContact OE2-NH2 2.9Å; E337-R404 PolarHBondContact OE2-NH2 2.87Å; R404-E406 HydrophobicContact CG-CG 4.39Å; R404-E406 IonicContact CZ-OE1 2.68Å; R404-E406 IonicContact NE-OE1 2.73Å; R404-E406 PolarHBondContact NE-OE1 2.74Å; R404-E406 IonicContact NH2-OE1 3.37Å; R404-E406 PolarHBondContact NH2-OE1 2.82Å; R404-E406 IonicContact NH2-OE2 3.31Å; R404-V427 HydrophobicContact CB-CB 4.16Å; R404-V427 PolarHBondContact N-O 2.74Å; R404-V427 PolarHBondContact O-N 3.02Å
405	I	97.9	Very high	95.2	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.128	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.4	-179.9	-49.8	-59.4	0	0	0	108.6	T396 P397 T403 T407 A424 L426 Y447	T396-I405 HydrophobicContact CG2-CG2 4.44Å; P397-I405 HydrophobicContact CG-CD1 3.68Å; P397-I405 HydrophobicContact CG-CG1 4.45Å; T403-I405 HydrophobicContact CG2-CD1 4.17Å; I405-T407 HydrophobicContact CG2-CG2 4.44Å; I405-A424 HydrophobicContact CG2-CB 4.36Å; I405-L426 HydrophobicContact CD1-CB 4.47Å; I405-L426 HydrophobicContact CD1-CD1 3.36Å; I405-L426 HydrophobicContact CD1-CG 4.49Å; I405-Y447 HydrophobicContact CD1-CE2 4.2Å; I405-Y447 WeakPolarHBondContact CD1-OH 3.34Å; I405-Y447 VanDerWaalsContact CG2-OH 3.28Å; I405-Y447 WeakPolarHBondContact CG2-OH 3.43Å
406	E	97.6	Very high	95.1	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.2	174.5	-64.1	-67.4	134	0	0	108.1	R52 R55 P334 R404 A424 K425	R52-E406 WeakPolarHBondContact CB-OE2 3.13Å; R52-E406 WeakPolarHBondContact CD-OE2 3.05Å; R55-E406 IonicContact CZ-OE2 3.83Å; R55-E406 VanDerWaalsContact NH2-CD 3.27Å; R55-E406 IonicContact NH2-OE1 3.39Å; R55-E406 PolarHBondContact NH2-OE1 2.94Å; R55-E406 IonicContact NH2-OE2 2.78Å; R55-E406 PolarHBondContact NH2-OE2 3.4Å; P334-E406 HydrophobicContact CG-CG 4.34Å; R404-E406 HydrophobicContact CG-CG 4.39Å; R404-E406 IonicContact CZ-OE1 2.68Å; R404-E406 IonicContact NE-OE1 2.73Å; R404-E406 PolarHBondContact NE-OE1 2.74Å; R404-E406 IonicContact NH2-OE1 3.37Å; R404-E406 PolarHBondContact NH2-OE1 2.82Å; R404-E406 IonicContact NH2-OE2 3.31Å; E406-A424 CarbonylContact O-C 3.49Å; E406-A424 WeakPolarHBondContact O-CA 3.28Å; E406-K425 HydrophobicContact CB-CB 4.12Å; E406-K425 VanDerWaalsContact CB-CE 3.43Å; E406-K425 HydrophobicContact CB-CG 4.48Å; E406-K425 PolarHBondContact N-O 2.95Å; E406-K425 PolarHBondContact O-N 3.39Å
407	T	97.4	Very high	94.8	Very high	20 Å²	20	51.6 Å²	51.6	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.9	-179	-172.5	0	0	0	0	111.8	M76 I405 V409 I423	M76-T407 HydrophobicContact SD-CG2 4.34Å; I405-T407 HydrophobicContact CG2-CG2 4.44Å; T407-V409 PolarHBondContact OG1-N 3.42Å; T407-V409 PolarHBondContact OG1-O 3.16Å; T407-I423 PolarHBondContact OG1-O 3.39Å
408	G	96.1	Very high	94.5	Very high	6 Å²	6	53.8 Å²	53.8	6%	0.062	30%	0.301	C	S	.	.	S	Bend	trans	-124.1	17	172.6	0	0	0	0	0	113.2	M76	M76-G408 WeakPolarHBondContact CB-O 3.35Å
409	V	96.7	Very high	94.5	Very high	25 Å²	25	50.2 Å²	50.2	15%	0.152	27%	0.271	C	S	.	.			trans	-133.8	160.8	178.2	-61.1	0	0	0	0	110.9	L391 L394 T407 D413 I423	L391-V409 HydrophobicContact CD1-CB 3.85Å; L391-V409 HydrophobicContact CD1-CG1 4.48Å; L391-V409 HydrophobicContact CD1-CG2 3.64Å; L394-V409 HydrophobicContact CD2-CG2 4.2Å; T407-V409 PolarHBondContact OG1-N 3.42Å; T407-V409 PolarHBondContact OG1-O 3.16Å; V409-D413 WeakPolarHBondContact CA-OD2 3.39Å; V409-D413 HydrophobicContact CB-CB 4.28Å; V409-I423 HydrophobicContact CG2-CB 4.46Å; V409-I423 HydrophobicContact CG2-CG2 3.66Å
410	R	95.5	Very high	94.3	Very high	98 Å²	98	50.2 Å²	50.2	37%	0.37	26%	0.26	S	S	.	.			trans	-132.8	166	179.9	-54	167.6	-166.6	168.9	-0.1	109.4	M76 G412 D413	M76-R410 HydrophobicContact CB-CG 4.47Å; M76-R410 HydrophobicContact CG-CG 4.42Å; M76-R410 VanDerWaalsContact CG-NE 3.33Å; M76-R410 PolarHBondContact O-NH2 2.9Å; M76-R410 HydrophobicContact SD-CG 3.92Å; R410-G412 PolarHBondContact O-N 2.87Å; R410-D413 PolarHBondContact N-OD2 3.26Å; R410-D413 WeakPolarHBondContact O-CB 3.49Å; R410-D413 PolarHBondContact O-N 2.75Å
411	E	94.7	Very high	94.2	Very high	108 Å²	108	46.6 Å²	46.6	51%	0.505	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	133.8	167.9	-175.8	171.8	100.7	0	0	109.8	H393 L394 D413	H393-E411 WeakPolarHBondContact CA-OE2 3.38Å; H393-E411 IonicContact CE1-OE2 2.67Å; H393-E411 IonicContact CG-OE2 2.84Å; H393-E411 IonicContact ND1-OE2 3.47Å; H393-E411 PolarHBondContact ND1-OE2 3.02Å; L394-E411 HydrophobicContact CB-CB 4.07Å; L394-E411 PolarHBondContact N-OE2 2.81Å; E411-D413 VanDerWaalsContact C-N 3.33Å
412	G	92.7	Very high	94.3	Very high	59 Å²	59	40.2 Å²	40.2	61%	0.608	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	-13.6	-175.4	0	0	0	0	0	115.4	L391 R410	L391-G412 PolarHBondContact O-N 2.75Å; R410-G412 PolarHBondContact O-N 2.87Å
413	D	95.5	Very high	94.3	Very high	31 Å²	31	37 Å²	37	17%	0.166	20%	0.197	C	C	.	.			trans	-69.9	160.7	173.7	-73.9	-13.3	0	0	0	111.4	L391 V409 R410 E411	L391-D413 PolarHBondContact N-O 2.67Å; V409-D413 WeakPolarHBondContact CA-OD2 3.39Å; V409-D413 HydrophobicContact CB-CB 4.28Å; R410-D413 PolarHBondContact N-OD2 3.26Å; R410-D413 WeakPolarHBondContact O-CB 3.49Å; R410-D413 PolarHBondContact O-N 2.75Å; E411-D413 VanDerWaalsContact C-N 3.33Å
414	E	91.6	Very high	94.3	Very high	136 Å²	136	37 Å²	37	64%	0.636	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.1	175.9	-169.2	-176.8	153.3	0	0	111.4	S416	E414-S416 PolarHBondContact O-N 2.82Å
415	V	93.8	Very high	94.3	Very high	12 Å²	12	34.5 Å²	34.5	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	102.8	165.3	-178.1	0	0	0	0	107.9	A377 A388 G389 L391 I423 L452 M669	A377-V415 HydrophobicContact CB-CG1 4.1Å; A377-V415 HydrophobicContact CB-CG2 4.43Å; A388-V415 CarbonylContact C-O 3.59Å; A388-V415 WeakPolarHBondContact CA-O 3.31Å; A388-V415 VanDerWaalsContact CB-O 3.25Å; A388-V415 WeakPolarHBondContact CB-O 3.38Å; G389-V415 PolarHBondContact N-O 3.29Å; G389-V415 PolarHBondContact O-N 2.96Å; L391-V415 HydrophobicContact CD1-CG2 4.23Å; L391-V415 HydrophobicContact CD2-CG2 4.15Å; L391-V415 HydrophobicContact CG-CG2 4.18Å; V415-I423 HydrophobicContact CG2-CG1 4.44Å; V415-L452 HydrophobicContact CB-CD1 3.71Å; V415-L452 HydrophobicContact CG2-CD1 3.62Å; V415-M669 HydrophobicContact CG1-CE 3.74Å
416	S	89.8	Confident	94.3	Very high	19 Å²	19	33.3 Å²	33.3	13%	0.133	18%	0.181	C	C	.	.			trans	-73.6	140.3	-177.9	179.5	0	0	0	0	112.8	E414 H418 Y419	E414-S416 PolarHBondContact O-N 2.82Å; S416-H418 PolarHBondContact O-N 3.18Å; S416-H418 VanDerWaalsContact O-N 3.09Å; S416-H418 PolarHBondContact OG-CD2 2.9Å; S416-H418 VanDerWaalsContact OG-CD2 3.3Å; S416-H418 PolarHBondContact OG-N 3Å; S416-Y419 PolarHBondContact O-N 3.4Å
417	A	88.2	Confident	94.4	Very high	12 Å²	12	33.2 Å²	33.2	10%	0.099	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.9	174.8	0	0	0	0	0	114.5	A388 T643 M669	A388-A417 HydrophobicContact CB-CB 3.81Å; A417-T643 HydrophobicContact CB-CG2 4.25Å; A417-M669 WeakPolarHBondContact O-CG 3.23Å; A417-M669 PolarHBondContact O-N 3.47Å
418	H	88.1	Confident	94.5	Very high	49 Å²	49	32.2 Å²	32.2	23%	0.227	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.6	-177.4	-66	-65.4	0	0	0	114.4	P90 S416 Q693	P90-H418 HydrophobicContact CB-CB 4.27Å; P90-H418 WeakPolarHBondContact CB-CD2 3.45Å; P90-H418 WeakPolarHBondContact CB-NE2 3.35Å; S416-H418 PolarHBondContact O-N 3.18Å; S416-H418 VanDerWaalsContact O-N 3.09Å; S416-H418 PolarHBondContact OG-CD2 2.9Å; S416-H418 VanDerWaalsContact OG-CD2 3.3Å; S416-H418 PolarHBondContact OG-N 3Å; H418-Q693 PolarHBondContact CE1-NE2 2.85Å; H418-Q693 PolarHBondContact NE2-NE2 3.46Å
419	Y	91.5	Very high	94.6	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.02	18%	0.179	C	C	.	.	S	Bend	trans	-129.8	-178	-170.1	-52.8	-59.6	0	0	0	112.7	R46 S69 A71 D72 P90 S92 Y96 S416 M669	R46-Y419 VanDerWaalsContact NE-CD2 3.32Å; R46-Y419 VanDerWaalsContact NH2-CD2 3.26Å; S69-Y419 VanDerWaalsContact CB-OH 3.28Å; S69-Y419 WeakPolarHBondContact CB-OH 3.37Å; S69-Y419 PolarHBondContact OG-OH 2.83Å; A71-Y419 HydrophobicContact CB-CE2 4.04Å; D72-Y419 VanDerWaalsContact OD2-CE2 3.32Å; D72-Y419 WeakPolarHBondContact OD2-CE2 3.41Å; P90-Y419 PolarHBondContact O-OH 3.12Å; S92-Y419 WeakPolarHBondContact OG-CE1 3.5Å; Y96-Y419 AromaticContact CD2-CE1 3.96Å; Y96-Y419 HydrophobicContact CD2-CE1 3.96Å; Y96-Y419 AromaticContact CE2-CE1 3.89Å; Y96-Y419 HydrophobicContact CE2-CE1 3.89Å; Y96-Y419 AromaticContact CE2-CZ 3.87Å; S416-Y419 PolarHBondContact O-N 3.4Å; Y419-M669 WeakPolarHBondContact O-CA 3.49Å; Y419-M669 WeakPolarHBondContact O-CB 3.25Å; Y419-M669 WeakPolarHBondContact O-CE 3.43Å; Y419-M669 VanDerWaalsContact O-CG 3.24Å; Y419-M669 WeakPolarHBondContact O-CG 3.21Å
420	D	90.1	Very high	94.7	Very high	75 Å²	75	33.1 Å²	33.1	40%	0.401	18%	0.176	S	C	.	.			trans	-64	139.9	177.9	-175.1	-84.4	0	0	0	111.8	Y376 M422	Y376-D420 VanDerWaalsContact CE1-OD1 3.31Å; Y376-D420 WeakPolarHBondContact CE1-OD1 3.35Å; D420-M422 PolarHBondContact O-N 2.88Å; D420-M422 WeakPolarHBondContact OD1-CB 3.42Å; D420-M422 PolarHBondContact OD1-N 3.13Å
421	P	93.2	Very high	94.8	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.045	20%	0.195	C	C	.	.			trans	-78.3	3.9	-175.9	19.8	-18.2	0	0	0	114.9	Y376 A377 E378 P386 I423 M669	Y376-P421 VanDerWaalsContact CD1-C 3.41Å; Y376-P421 HydrophobicContact CD1-CB 3.88Å; Y376-P421 HydrophobicContact CD1-CG 3.67Å; Y376-P421 HydrophobicContact CE1-CB 4.48Å; Y376-P421 HydrophobicContact CE1-CG 3.94Å; A377-P421 HydrophobicContact CB-CB 4.2Å; A377-P421 PolarHBondContact N-O 2.76Å; E378-P421 HydrophobicContact CG-CG 4.4Å; P386-P421 HydrophobicContact CB-CB 4.1Å; P386-P421 HydrophobicContact CB-CG 3.88Å; P421-I423 PolarHBondContact O-N 2.74Å; P421-M669 HydrophobicContact CB-CE 3.34Å; P421-M669 HydrophobicContact CB-SD 3.84Å; P421-M669 HydrophobicContact CG-CE 3.97Å; P421-M669 HydrophobicContact CG-SD 4.17Å
422	M	95.9	Very high	95	Very high	32 Å²	32	35.2 Å²	35.2	16%	0.158	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	118.6	-178.3	-169.7	168.8	59.6	0	0	110.8	E48 V331 R374 Y376 D420 K425	E48-M422 HydrophobicContact CG-CE 3.87Å; V331-M422 HydrophobicContact CG1-CE 4.05Å; V331-M422 HydrophobicContact CG1-SD 4.34Å; R374-M422 HydrophobicContact CB-SD 4.28Å; R374-M422 HydrophobicContact CG-SD 4.23Å; Y376-M422 HydrophobicContact CD1-CB 3.94Å; Y376-M422 VanDerWaalsContact CD1-N 3.29Å; Y376-M422 HydrophobicContact CE1-CB 3.49Å; Y376-M422 VanDerWaalsContact CE1-CB 3.49Å; Y376-M422 HydrophobicContact CE1-CG 4.31Å; Y376-M422 VanDerWaalsContact CE1-N 3.33Å; D420-M422 PolarHBondContact O-N 2.88Å; D420-M422 WeakPolarHBondContact OD1-CB 3.42Å; D420-M422 PolarHBondContact OD1-N 3.13Å; M422-K425 HydrophobicContact CE-CD 4.38Å; M422-K425 HydrophobicContact CE-CG 4.33Å; M422-K425 HydrophobicContact SD-CD 4.27Å; M422-K425 HydrophobicContact SD-CG 3.78Å
423	I	97.4	Very high	95.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-47.8	176.8	-62.3	177.5	0	0	0	109.5	I375 A377 L391 T407 V409 V415 P421 I449 T454	I375-I423 HydrophobicContact CG2-CB 4.33Å; I375-I423 WeakPolarHBondContact O-CB 3.42Å; I375-I423 PolarHBondContact O-N 3.14Å; A377-I423 HydrophobicContact CB-CD1 4.01Å; A377-I423 HydrophobicContact CB-CG1 4.15Å; L391-I423 HydrophobicContact CD2-CD1 4.24Å; T407-I423 PolarHBondContact OG1-O 3.39Å; V409-I423 HydrophobicContact CG2-CB 4.46Å; V409-I423 HydrophobicContact CG2-CG2 3.66Å; V415-I423 HydrophobicContact CG2-CG1 4.44Å; P421-I423 PolarHBondContact O-N 2.74Å; I423-I449 HydrophobicContact CD1-CD1 3.97Å; I423-I449 HydrophobicContact CG2-CD1 4.31Å; I423-T454 HydrophobicContact CD1-CG2 4.06Å
424	A	97.9	Very high	95.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	165	-176.2	0	0	0	0	0	111.8	I375 I405 E406	I375-A424 HydrophobicContact CB-CB 4.37Å; I375-A424 WeakPolarHBondContact CB-O 3.42Å; I375-A424 HydrophobicContact CG1-CB 4.41Å; I375-A424 PolarHBondContact N-O 2.87Å; I375-A424 PolarHBondContact O-N 3.17Å; I405-A424 HydrophobicContact CG2-CB 4.36Å; E406-A424 CarbonylContact O-C 3.49Å; E406-A424 WeakPolarHBondContact O-CA 3.28Å
425	K	98.6	Very high	95.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125	162.2	-46.3	175.4	-54.1	-163.9	0	108.2	E48 V331 E372 E406 M422 V427	E48-K425 VanDerWaalsContact OE1-CD 3.28Å; E48-K425 WeakPolarHBondContact OE1-CD 3.3Å; E48-K425 WeakPolarHBondContact OE1-CE 3.5Å; E48-K425 IonicContact OE1-NZ 2.71Å; E48-K425 PolarHBondContact OE1-NZ 3.19Å; E48-K425 IonicContact OE2-NZ 3.68Å; E48-K425 PolarHBondContact OE2-NZ 3.3Å; V331-K425 HydrophobicContact CG1-CD 3.61Å; V331-K425 PolarHBondContact O-NZ 2.9Å; E372-K425 HydrophobicContact CG-CB 4.04Å; E372-K425 WeakPolarHBondContact OE1-CD 3.47Å; E406-K425 HydrophobicContact CB-CB 4.12Å; E406-K425 VanDerWaalsContact CB-CE 3.43Å; E406-K425 HydrophobicContact CB-CG 4.48Å; E406-K425 PolarHBondContact N-O 2.95Å; E406-K425 PolarHBondContact O-N 3.39Å; M422-K425 HydrophobicContact CE-CD 4.38Å; M422-K425 HydrophobicContact CE-CG 4.33Å; M422-K425 HydrophobicContact SD-CD 4.27Å; M422-K425 HydrophobicContact SD-CG 3.78Å; K425-V427 HydrophobicContact CB-CG2 4.47Å
426	L	98.8	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.6	171.5	168.5	61.3	0	0	0	108.1	E372 A373 I375 P397 T403 I405 V428 L440 C443 L444 Y447	E372-L426 CarbonylContact C-O 3.6Å; E372-L426 VanDerWaalsContact CA-O 3.26Å; E372-L426 WeakPolarHBondContact CA-O 3.29Å; A373-L426 PolarHBondContact N-O 3.28Å; A373-L426 PolarHBondContact O-N 3.24Å; I375-L426 HydrophobicContact CD1-CB 4.44Å; I375-L426 HydrophobicContact CG1-CB 4.5Å; P397-L426 HydrophobicContact CG-CD1 4.1Å; T403-L426 HydrophobicContact CG2-CD1 4.11Å; I405-L426 HydrophobicContact CD1-CB 4.47Å; I405-L426 HydrophobicContact CD1-CD1 3.36Å; I405-L426 HydrophobicContact CD1-CG 4.49Å; L426-V428 HydrophobicContact CD1-CG1 4.01Å; L426-V428 HydrophobicContact CG-CG1 4.34Å; L426-L440 HydrophobicContact CD2-CD1 3.86Å; L426-L440 HydrophobicContact CG-CD1 4.13Å; L426-C443 HydrophobicContact CD1-CB 3.82Å; L426-C443 HydrophobicContact CD2-CB 3.76Å; L426-C443 HydrophobicContact CG-CB 4.39Å; L426-L444 HydrophobicContact CD2-CD2 3.74Å; L426-L444 HydrophobicContact CD2-CG 3.78Å; L426-Y447 HydrophobicContact CB-CE2 4Å; L426-Y447 HydrophobicContact CD1-CE2 4.24Å; L426-Y447 HydrophobicContact CD2-CD2 4.37Å; L426-Y447 HydrophobicContact CD2-CE2 4.02Å; L426-Y447 HydrophobicContact CG-CE2 4.3Å
427	V	98.8	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.6	-179.5	-167.6	0	0	0	0	108.2	P334 V335 M338 F371 E372 T403 R404 K425	P334-V427 HydrophobicContact CB-CB 4.28Å; P334-V427 HydrophobicContact CB-CG1 3.88Å; P334-V427 HydrophobicContact CB-CG2 3.58Å; P334-V427 HydrophobicContact CG-CG2 4.19Å; V335-V427 HydrophobicContact CG1-CG1 4.26Å; M338-V427 HydrophobicContact CG-CG1 3.72Å; F371-V427 CarbonylContact O-C 3.56Å; F371-V427 WeakPolarHBondContact O-CA 3.24Å; E372-V427 HydrophobicContact CB-CG2 4.27Å; E372-V427 HydrophobicContact CG-CG2 4.01Å; E372-V427 WeakPolarHBondContact OE2-CG2 3.13Å; T403-V427 WeakPolarHBondContact CA-O 3.27Å; R404-V427 HydrophobicContact CB-CB 4.16Å; R404-V427 PolarHBondContact N-O 2.74Å; R404-V427 PolarHBondContact O-N 3.02Å; K425-V427 HydrophobicContact CB-CG2 4.47Å
428	V	98.9	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.1	177.2	-60.3	0	0	0	0	111	S370 F371 H402 L426 A436 K439 L440 C443	S370-V428 WeakPolarHBondContact CA-O 3.24Å; S370-V428 WeakPolarHBondContact CB-O 3.21Å; S370-V428 PolarHBondContact OG-O 3Å; F371-V428 HydrophobicContact CB-CG2 4.02Å; F371-V428 PolarHBondContact N-O 3.28Å; F371-V428 PolarHBondContact O-N 3.28Å; H402-V428 CarbonylContact O-C 3.53Å; H402-V428 VanDerWaalsContact O-CA 3.24Å; H402-V428 WeakPolarHBondContact O-CA 3.27Å; L426-V428 HydrophobicContact CD1-CG1 4.01Å; L426-V428 HydrophobicContact CG-CG1 4.34Å; V428-A436 WeakPolarHBondContact CG2-O 3.25Å; V428-K439 HydrophobicContact CB-CG 4.16Å; V428-K439 HydrophobicContact CG1-CG 4.16Å; V428-L440 HydrophobicContact CG2-CB 3.71Å; V428-L440 HydrophobicContact CG2-CD1 4.12Å; V428-C443 HydrophobicContact CG1-CB 4.36Å
429	W	98.8	Very high	97.3	Very high	41 Å²	41	38.5 Å²	38.5	16%	0.155	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.6	174.4	179.6	96.3	0	0	0	111	M338 S367 H369 H402 E431	M338-W429 HydrophobicContact CB-CB 4.3Å; M338-W429 HydrophobicContact CE-CB 3.41Å; M338-W429 VanDerWaalsContact CE-CB 3.41Å; M338-W429 HydrophobicContact CE-CG 4.29Å; S367-W429 PolarHBondContact O-NE1 3.48Å; H369-W429 CarbonylContact O-C 3.51Å; H369-W429 VanDerWaalsContact O-CA 3.3Å; H369-W429 WeakPolarHBondContact O-CA 2.92Å; H402-W429 HydrophobicContact CB-CE3 4.37Å; H402-W429 AromaticContact CD2-CE3 3.3Å; H402-W429 AromaticContact CD2-CZ3 3.7Å; H402-W429 AromaticContact CG-CE3 3.88Å; H402-W429 AromaticContact NE2-CE3 3.82Å; H402-W429 AromaticContact NE2-CZ3 3.69Å; H402-W429 PolarHBondContact O-N 3.07Å; W429-E431 HydrophobicContact CH2-CG 4.14Å; W429-E431 HydrophobicContact CZ3-CG 4.39Å
430	G	98.6	Very high	97.7	Very high	8 Å²	8	38.3 Å²	38.3	8%	0.082	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	166.5	171.3	0	0	0	0	0	111.6	G368 H369 D432	G368-G430 CarbonylContact C-O 3.5Å; G368-G430 VanDerWaalsContact CA-O 3.27Å; G368-G430 WeakPolarHBondContact CA-O 3.44Å; H369-G430 PolarHBondContact N-O 3.18Å; H369-G430 PolarHBondContact O-N 3.03Å; G430-D432 PolarHBondContact O-N 3.44Å
431	E	98.1	Very high	98	Very high	165 Å²	165	38.4 Å²	38.4	77%	0.771	19%	0.193	S	C	*	.	S	Bend	trans	-62.2	-27.9	179.6	-63.8	178.9	177.7	0	0	112.8	G368 W429	G368-E431 WeakPolarHBondContact CA-O 3.46Å; W429-E431 HydrophobicContact CH2-CG 4.14Å; W429-E431 HydrophobicContact CZ3-CG 4.39Å
432	D	98.3	Very high	98.2	Very high	86 Å²	86	43.8 Å²	43.8	46%	0.46	21%	0.213	S	C	.	.	S	Bend	trans	-143.6	173.5	172.6	65.7	47.7	0	0	0	110.7	G430 S434 A435 A436	G430-D432 PolarHBondContact O-N 3.44Å; D432-S434 VanDerWaalsContact C-N 3.3Å; D432-S434 PolarHBondContact O-N 3.27Å; D432-S434 WeakPolarHBondContact OD1-CA 3.15Å; D432-S434 WeakPolarHBondContact OD1-CB 3.29Å; D432-S434 PolarHBondContact OD1-N 2.84Å; D432-A435 PolarHBondContact O-N 2.92Å; D432-A435 PolarHBondContact OD1-N 3.37Å; D432-A436 WeakPolarHBondContact O-CB 3.47Å; D432-A436 PolarHBondContact O-N 2.96Å
433	R	98.4	Very high	98.3	Very high	35 Å²	35	42.4 Å²	42.4	13%	0.132	21%	0.207	C	C	.	.	H	α-helix	trans	-58.3	-38.7	180	-171.6	175.3	-173.1	-86.5	-2.5	112.9	E277 H369 F371 L437 F468 E469	E277-R433 IonicContact OE1-CZ 2.87Å; E277-R433 IonicContact OE1-NE 3.09Å; E277-R433 PolarHBondContact OE1-NE 3.48Å; E277-R433 IonicContact OE1-NH2 3.04Å; E277-R433 PolarHBondContact OE1-NH2 3.36Å; E277-R433 IonicContact OE2-CZ 3.52Å; E277-R433 IonicContact OE2-NE 2.67Å; E277-R433 PolarHBondContact OE2-NE 3.13Å; E277-R433 IonicContact OE2-NH2 2.76Å; E277-R433 PolarHBondContact OE2-NH2 2.91Å; H369-R433 HydrophobicContact CB-CB 4.37Å; F371-R433 HydrophobicContact CE2-CG 3.86Å; F371-R433 WeakPolarHBondContact CE2-O 3.25Å; F371-R433 HydrophobicContact CZ-CG 3.63Å; R433-L437 VanDerWaalsContact O-CB 3.25Å; R433-L437 WeakPolarHBondContact O-CB 3Å; R433-L437 PolarHBondContact O-N 3.33Å; R433-F468 VanDerWaalsContact CZ-O 3.3Å; R433-F468 PolarHBondContact NH1-O 3.41Å; R433-F468 PolarHBondContact NH2-O 3.28Å; R433-E469 PolarHBondContact NH1-O 3.39Å
434	S	98.4	Very high	98.3	Very high	90 Å²	90	42.3 Å²	42.3	63%	0.629	21%	0.206	S	C	*	.	H	α-helix	trans	-68.7	-43.8	-178.5	-171.1	0	0	0	0	111.2	D432 L437 K438	D432-S434 VanDerWaalsContact C-N 3.3Å; D432-S434 PolarHBondContact O-N 3.27Å; D432-S434 WeakPolarHBondContact OD1-CA 3.15Å; D432-S434 WeakPolarHBondContact OD1-CB 3.29Å; D432-S434 PolarHBondContact OD1-N 2.84Å; S434-L437 PolarHBondContact O-N 2.85Å; S434-K438 WeakPolarHBondContact O-CB 3.45Å; S434-K438 PolarHBondContact O-N 3.29Å
435	A	98.5	Very high	98.2	Very high	41 Å²	41	45.9 Å²	45.9	34%	0.339	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-46.3	175.3	0	0	0	0	0	111.5	D432 L437 K438 K439	D432-A435 PolarHBondContact O-N 2.92Å; D432-A435 PolarHBondContact OD1-N 3.37Å; A435-L437 PolarHBondContact O-N 3.09Å; A435-K438 PolarHBondContact O-N 3.28Å; A435-K439 WeakPolarHBondContact O-CB 3.24Å; A435-K439 PolarHBondContact O-N 3.12Å
436	A	98.7	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-42.8	176.6	0	0	0	0	0	111.6	H369 F371 V428 D432 K439 L440	H369-A436 HydrophobicContact CB-CB 4.22Å; H369-A436 WeakPolarHBondContact O-CB 3.27Å; F371-A436 HydrophobicContact CD2-CB 3.7Å; F371-A436 HydrophobicContact CE2-CB 3.97Å; V428-A436 WeakPolarHBondContact CG2-O 3.25Å; D432-A436 WeakPolarHBondContact O-CB 3.47Å; D432-A436 PolarHBondContact O-N 2.96Å; A436-K439 PolarHBondContact O-N 3.38Å; A436-L440 PolarHBondContact O-N 3.43Å
437	L	98.6	Very high	97.8	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-41.5	178.9	-174.8	53.6	0	0	0	112.6	F371 R433 S434 A435 K439 L440 R441 F468 E469	F371-L437 HydrophobicContact CD2-CB 4.4Å; F371-L437 HydrophobicContact CE2-CB 3.76Å; F371-L437 HydrophobicContact CE2-CD1 4.38Å; F371-L437 HydrophobicContact CZ-CB 4.28Å; F371-L437 HydrophobicContact CZ-CD1 4.39Å; R433-L437 VanDerWaalsContact O-CB 3.25Å; R433-L437 WeakPolarHBondContact O-CB 3Å; R433-L437 PolarHBondContact O-N 3.33Å; S434-L437 PolarHBondContact O-N 2.85Å; A435-L437 PolarHBondContact O-N 3.09Å; L437-K439 VanDerWaalsContact C-N 3.28Å; L437-K439 PolarHBondContact O-N 3Å; L437-L440 HydrophobicContact CD1-CD2 4.16Å; L437-L440 WeakPolarHBondContact O-CB 3.44Å; L437-L440 PolarHBondContact O-N 3.3Å; L437-R441 WeakPolarHBondContact O-CG 3.49Å; L437-R441 PolarHBondContact O-N 3.22Å; L437-F468 HydrophobicContact CD1-CD1 4.16Å; L437-F468 HydrophobicContact CD1-CE1 3.68Å; L437-F468 HydrophobicContact CD2-CD1 4.21Å; L437-F468 HydrophobicContact CD2-CE1 4.33Å; L437-E469 HydrophobicContact CD2-CB 4.31Å; L437-E469 HydrophobicContact CD2-CG 3.81Å
438	K	98.1	Very high	97.5	Very high	165 Å²	165	49.1 Å²	49.1	72%	0.717	23%	0.234	S	C	*	.	H	α-helix	trans	-60.3	-41.4	173.5	-174.4	177.4	-179.3	179.2	0	110.9	S434 A435 Y442	S434-K438 WeakPolarHBondContact O-CB 3.45Å; S434-K438 PolarHBondContact O-N 3.29Å; A435-K438 PolarHBondContact O-N 3.28Å; K438-Y442 WeakPolarHBondContact O-CB 3.36Å; K438-Y442 PolarHBondContact O-N 3.23Å
439	K	98.4	Very high	97.3	Very high	47 Å²	47	49.9 Å²	49.9	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-41.1	176.3	-173.3	158.7	172.9	145.5	0	111.9	D400 H402 T403 V428 A435 A436 L437 R441 Y442 C443	D400-K439 IonicContact OD1-NZ 2.69Å; D400-K439 PolarHBondContact OD1-NZ 3.01Å; D400-K439 IonicContact OD2-NZ 2.74Å; D400-K439 PolarHBondContact OD2-NZ 3.02Å; H402-K439 HydrophobicContact CB-CD 4.32Å; H402-K439 WeakPolarHBondContact O-CE 3.31Å; T403-K439 WeakPolarHBondContact OG1-CE 3.49Å; T403-K439 PolarHBondContact OG1-NZ 2.82Å; V428-K439 HydrophobicContact CB-CG 4.16Å; V428-K439 HydrophobicContact CG1-CG 4.16Å; A435-K439 WeakPolarHBondContact O-CB 3.24Å; A435-K439 PolarHBondContact O-N 3.12Å; A436-K439 PolarHBondContact O-N 3.38Å; L437-K439 VanDerWaalsContact C-N 3.28Å; L437-K439 PolarHBondContact O-N 3Å; K439-R441 PolarHBondContact O-N 3.49Å; K439-Y442 WeakPolarHBondContact O-CB 3.45Å; K439-Y442 PolarHBondContact O-N 3.2Å; K439-C443 WeakPolarHBondContact O-CB 3.2Å; K439-C443 PolarHBondContact O-N 3.5Å; K439-C443 PolarHBondContact O-SG 3.12Å
440	L	98.6	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-52.8	174.7	-178.7	66.1	0	0	0	110.7	I275 F371 A373 L426 V428 A436 L437 Y442 C443 L444	I275-L440 HydrophobicContact CD1-CD2 4.36Å; F371-L440 HydrophobicContact CB-CD1 4.41Å; F371-L440 HydrophobicContact CB-CD2 3.91Å; F371-L440 HydrophobicContact CG-CD2 4.18Å; A373-L440 HydrophobicContact CB-CD1 3.99Å; L426-L440 HydrophobicContact CD2-CD1 3.86Å; L426-L440 HydrophobicContact CG-CD1 4.13Å; V428-L440 HydrophobicContact CG2-CB 3.71Å; V428-L440 HydrophobicContact CG2-CD1 4.12Å; A436-L440 PolarHBondContact O-N 3.43Å; L437-L440 HydrophobicContact CD1-CD2 4.16Å; L437-L440 WeakPolarHBondContact O-CB 3.44Å; L437-L440 PolarHBondContact O-N 3.3Å; L440-Y442 VanDerWaalsContact C-N 3.32Å; L440-Y442 PolarHBondContact O-N 3.27Å; L440-C443 PolarHBondContact O-N 3.47Å; L440-L444 HydrophobicContact CD1-CD1 4.41Å; L440-L444 HydrophobicContact CD1-CG 4.45Å; L440-L444 HydrophobicContact CG-CD1 4.03Å; L440-L444 HydrophobicContact CG-CG 4.47Å; L440-L444 WeakPolarHBondContact O-CG 3.32Å; L440-L444 PolarHBondContact O-N 2.9Å
441	R	97.9	Very high	96.7	Very high	77 Å²	77	49.8 Å²	49.8	29%	0.291	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-39.2	179.9	-70	169.9	70.1	179.4	7.6	112.4	L437 K439 R445 S463 E469	L437-R441 WeakPolarHBondContact O-CG 3.49Å; L437-R441 PolarHBondContact O-N 3.22Å; K439-R441 PolarHBondContact O-N 3.49Å; R441-R445 WeakPolarHBondContact O-CG 3.47Å; R441-R445 PolarHBondContact O-N 3.39Å; R441-S463 WeakPolarHBondContact CG-OG 3.28Å; R441-E469 IonicContact CZ-OE1 3.78Å; R441-E469 IonicContact NH1-OE1 3.77Å; R441-E469 PolarHBondContact NH1-OE1 2.71Å
442	Y	96.9	Very high	96.4	Very high	121 Å²	121	43 Å²	43	48%	0.475	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-47.8	174.8	179	-94.2	0	0	0	111.4	K438 K439 L440 R445 Q446 M612	K438-Y442 WeakPolarHBondContact O-CB 3.36Å; K438-Y442 PolarHBondContact O-N 3.23Å; K439-Y442 WeakPolarHBondContact O-CB 3.45Å; K439-Y442 PolarHBondContact O-N 3.2Å; L440-Y442 VanDerWaalsContact C-N 3.32Å; L440-Y442 PolarHBondContact O-N 3.27Å; Y442-R445 PolarHBondContact O-N 2.9Å; Y442-Q446 VanDerWaalsContact CZ-NE2 3.27Å; Y442-Q446 PolarHBondContact OH-NE2 3.31Å; Y442-M612 HydrophobicContact CD2-CE 3.33Å; Y442-M612 HydrophobicContact CE2-CE 3.52Å; Y442-M612 HydrophobicContact CE2-SD 4.32Å; Y442-M612 HydrophobicContact CG-CE 4.14Å
443	C	97.8	Very high	96.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-68.1	-36.8	179.7	-72.7	0	0	0	0	113.1	P397 T403 L426 V428 K439 L440 R445 Q446 Y447	P397-C443 HydrophobicContact CB-CB 4.04Å; P397-C443 HydrophobicContact CG-CB 4.02Å; T403-C443 PolarHBondContact OG1-SG 2.85Å; L426-C443 HydrophobicContact CD1-CB 3.82Å; L426-C443 HydrophobicContact CD2-CB 3.76Å; L426-C443 HydrophobicContact CG-CB 4.39Å; V428-C443 HydrophobicContact CG1-CB 4.36Å; K439-C443 WeakPolarHBondContact O-CB 3.2Å; K439-C443 PolarHBondContact O-N 3.5Å; K439-C443 PolarHBondContact O-SG 3.12Å; L440-C443 PolarHBondContact O-N 3.47Å; C443-R445 VanDerWaalsContact C-N 3.32Å; C443-R445 PolarHBondContact O-N 2.77Å; C443-Q446 WeakPolarHBondContact O-CB 3.23Å; C443-Q446 PolarHBondContact O-N 3.25Å; C443-Q446 VanDerWaalsContact O-N 3.1Å; C443-Y447 PolarHBondContact O-N 2.91Å
444	L	97.4	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-40.2	174.4	-76.4	171.2	0	0	0	111.9	A373 I375 L426 L440 Q446 Y447 L459 L460	A373-L444 HydrophobicContact CB-CD2 4.5Å; I375-L444 HydrophobicContact CD1-CD2 3.77Å; L426-L444 HydrophobicContact CD2-CD2 3.74Å; L426-L444 HydrophobicContact CD2-CG 3.78Å; L440-L444 HydrophobicContact CD1-CD1 4.41Å; L440-L444 HydrophobicContact CD1-CG 4.45Å; L440-L444 HydrophobicContact CG-CD1 4.03Å; L440-L444 HydrophobicContact CG-CG 4.47Å; L440-L444 WeakPolarHBondContact O-CG 3.32Å; L440-L444 PolarHBondContact O-N 2.9Å; L444-Q446 PolarHBondContact O-N 2.98Å; L444-Y447 PolarHBondContact O-N 2.92Å; L444-Y447 VanDerWaalsContact O-N 3.16Å; L444-L459 HydrophobicContact CD1-CB 3.91Å; L444-L459 HydrophobicContact CD2-CB 4.17Å; L444-L459 HydrophobicContact CD2-CD1 4.03Å; L444-L460 HydrophobicContact CB-CD2 3.59Å; L444-L460 HydrophobicContact CB-CG 3.96Å; L444-L460 HydrophobicContact CD1-CD2 4.17Å; L444-L460 HydrophobicContact CD1-CG 4.39Å
445	R	95.4	Very high	95.9	Very high	75 Å²	75	37.7 Å²	37.7	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-65.9	-19.2	176.3	-71.6	166.6	179.6	-66.8	-7.7	113.8	R441 Y442 C443 L460 M612 E613	R441-R445 WeakPolarHBondContact O-CG 3.47Å; R441-R445 PolarHBondContact O-N 3.39Å; Y442-R445 PolarHBondContact O-N 2.9Å; C443-R445 VanDerWaalsContact C-N 3.32Å; C443-R445 PolarHBondContact O-N 2.77Å; R445-L460 HydrophobicContact CG-CD1 4.06Å; R445-L460 HydrophobicContact CG-CD2 3.8Å; R445-M612 HydrophobicContact CB-CE 3.75Å; R445-M612 HydrophobicContact CB-SD 4.01Å; R445-M612 WeakPolarHBondContact CD-O 3.43Å; R445-M612 HydrophobicContact CG-CE 4.44Å; R445-M612 PolarHBondContact NE-O 3.28Å; R445-M612 PolarHBondContact NH1-O 2.99Å; R445-E613 PolarHBondContact NH1-O 3.14Å; R445-E613 VanDerWaalsContact NH1-O 3.16Å
446	Q	93.9	Very high	95.8	Very high	53 Å²	53	36.3 Å²	36.3	25%	0.248	17%	0.172	C	C	.	.	H	α-helix	trans	-88	-13.2	177.1	-66.8	-172.2	-25.6	0	0	113.3	P397 Y442 C443 L444 N448 M612	P397-Q446 HydrophobicContact CB-CB 3.95Å; P397-Q446 VanDerWaalsContact CB-OE1 3.26Å; Y442-Q446 VanDerWaalsContact CZ-NE2 3.27Å; Y442-Q446 PolarHBondContact OH-NE2 3.31Å; C443-Q446 WeakPolarHBondContact O-CB 3.23Å; C443-Q446 PolarHBondContact O-N 3.25Å; C443-Q446 VanDerWaalsContact O-N 3.1Å; L444-Q446 PolarHBondContact O-N 2.98Å; Q446-N448 PolarHBondContact O-N 3.28Å; Q446-N448 PolarHBondContact O-ND2 2.86Å; Q446-N448 PolarHBondContact O-OD1 3.33Å; Q446-M612 HydrophobicContact CG-SD 4.31Å
447	Y	94.4	Very high	95.5	Very high	8 Å²	8	40.6 Å²	40.6	3%	0.031	20%	0.195	C	C	.	.			trans	-70.8	125.6	173.1	-94.6	-86.3	0	0	0	110.4	I375 S395 T396 P397 I405 L426 C443 L444 I449 I456	I375-Y447 HydrophobicContact CD1-CE2 4.45Å; I375-Y447 HydrophobicContact CG1-CE1 4.37Å; I375-Y447 HydrophobicContact CG1-CE2 4.34Å; S395-Y447 WeakPolarHBondContact O-CA 3.37Å; T396-Y447 HydrophobicContact CG2-CD1 4.12Å; T396-Y447 HydrophobicContact CG2-CE1 3.51Å; P397-Y447 HydrophobicContact CG-CD2 3.94Å; P397-Y447 HydrophobicContact CG-CE2 3.67Å; I405-Y447 HydrophobicContact CD1-CE2 4.2Å; I405-Y447 WeakPolarHBondContact CD1-OH 3.34Å; I405-Y447 VanDerWaalsContact CG2-OH 3.28Å; I405-Y447 WeakPolarHBondContact CG2-OH 3.43Å; L426-Y447 HydrophobicContact CB-CE2 4Å; L426-Y447 HydrophobicContact CD1-CE2 4.24Å; L426-Y447 HydrophobicContact CD2-CD2 4.37Å; L426-Y447 HydrophobicContact CD2-CE2 4.02Å; L426-Y447 HydrophobicContact CG-CE2 4.3Å; C443-Y447 PolarHBondContact O-N 2.91Å; L444-Y447 PolarHBondContact O-N 2.92Å; L444-Y447 VanDerWaalsContact O-N 3.16Å; Y447-I449 HydrophobicContact CD1-CD1 4.25Å; Y447-I456 HydrophobicContact CD1-CD1 4.46Å; Y447-I456 HydrophobicContact CG-CD1 4.25Å
448	N	93.9	Very high	95.4	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	112	179.3	-47.6	140.9	0	0	0	108	L394 S395 Q446 K599 F610	L394-N448 WeakPolarHBondContact CA-O 3.32Å; S395-N448 PolarHBondContact N-O 3.35Å; S395-N448 PolarHBondContact O-N 2.91Å; Q446-N448 PolarHBondContact O-N 3.28Å; Q446-N448 PolarHBondContact O-ND2 2.86Å; Q446-N448 PolarHBondContact O-OD1 3.33Å; N448-K599 HydrophobicContact CB-CD 4.43Å; N448-K599 VanDerWaalsContact OD1-CD 3.27Å; N448-K599 WeakPolarHBondContact OD1-CD 3.35Å; N448-K599 VanDerWaalsContact OD1-CE 3.27Å; N448-K599 WeakPolarHBondContact OD1-CE 3.44Å; N448-K599 PolarHBondContact OD1-NZ 2.94Å; N448-F610 HydrophobicContact CB-CB 4.38Å; N448-F610 HydrophobicContact CB-CD1 3.9Å; N448-F610 HydrophobicContact CB-CD2 3.82Å; N448-F610 HydrophobicContact CB-CE1 4.07Å; N448-F610 HydrophobicContact CB-CE2 3.99Å; N448-F610 HydrophobicContact CB-CG 3.77Å; N448-F610 HydrophobicContact CB-CZ 4.1Å; N448-F610 WeakPolarHBondContact ND2-CB 3.35Å; N448-F610 WeakPolarHBondContact ND2-CD1 3.25Å; N448-F610 VanDerWaalsContact ND2-CG 3.31Å; N448-F610 WeakPolarHBondContact ND2-CG 3.02Å
449	I	94.6	Very high	95.4	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.087	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.7	-176.3	-59	-179.1	0	0	0	108.1	I375 L391 H393 L394 I423 Y447 T454 I456	I375-I449 HydrophobicContact CG2-CD1 4.12Å; L391-I449 HydrophobicContact CD2-CG2 4.01Å; H393-I449 WeakPolarHBondContact O-CA 3.29Å; L394-I449 HydrophobicContact CD1-CD1 3.88Å; L394-I449 HydrophobicContact CD1-CG1 3.65Å; I423-I449 HydrophobicContact CD1-CD1 3.97Å; I423-I449 HydrophobicContact CG2-CD1 4.31Å; Y447-I449 HydrophobicContact CD1-CD1 4.25Å; I449-T454 HydrophobicContact CB-CG2 4.08Å; I449-T454 HydrophobicContact CD1-CG2 4.02Å; I449-T454 HydrophobicContact CG2-CG2 3.83Å; I449-I456 HydrophobicContact CD1-CD1 3.82Å; I449-I456 HydrophobicContact CG1-CD1 4.27Å
450	V	93.4	Very high	95.2	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.055	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.4	172.9	-175.6	0	0	0	0	108.9	L391 L392 H393 V601 L603 H608 F610	L391-V450 CarbonylContact C-O 3.57Å; L392-V450 PolarHBondContact N-O 3.48Å; H393-V450 HydrophobicContact CB-CB 3.82Å; H393-V450 HydrophobicContact CB-CG2 3.94Å; H393-V450 PolarHBondContact N-O 3.1Å; H393-V450 PolarHBondContact O-N 3.41Å; V450-V601 HydrophobicContact CG2-CG1 4.3Å; V450-L603 HydrophobicContact CB-CD1 4.38Å; V450-L603 HydrophobicContact CG1-CD1 3.82Å; V450-H608 WeakPolarHBondContact CG1-NE2 3.3Å; V450-H608 HydrophobicContact CG2-CB 4.12Å; V450-F610 HydrophobicContact CG2-CE2 3.99Å; V450-F610 HydrophobicContact CG2-CZ 3.73Å
451	G	90.6	Very high	95.1	Very high	37 Å²	37	33.3 Å²	33.3	38%	0.381	17%	0.169	S	C	.	.	S	Bend	trans	115.6	-31.9	-179.8	0	0	0	0	0	113.1	P390	P390-G451 WeakPolarHBondContact O-CA 3.31Å
452	L	91.6	Very high	95.1	Very high	23 Å²	23	29.6 Å²	29.6	12%	0.12	16%	0.155	C	C	.	.	S	Bend	trans	-134	150.6	177.6	-65.3	173.9	0	0	0	111.5	A377 L391 V415	A377-L452 HydrophobicContact CB-CD1 4.02Å; L391-L452 HydrophobicContact CD2-CD1 4.1Å; V415-L452 HydrophobicContact CB-CD1 3.71Å; V415-L452 HydrophobicContact CG2-CD1 3.62Å
453	N	92.3	Very high	95.1	Very high	70 Å²	70	23.9 Å²	23.9	37%	0.374	13%	0.132	S	C	.	.			trans	-67.6	144.7	165.4	-68.8	-17.9	0	0	0	109	A377 E378 D379	A377-N453 CarbonylContact C-O 3.6Å; A377-N453 WeakPolarHBondContact CA-O 3.39Å; E378-N453 PolarHBondContact N-O 2.95Å; E378-N453 CarbonylContact O-C 3.56Å; E378-N453 VanDerWaalsContact O-C 3.24Å; D379-N453 HydrophobicContact CB-CB 3.85Å; D379-N453 VanDerWaalsContact CG-ND2 3.35Å; D379-N453 PolarHBondContact OD2-ND2 3.27Å
454	T	95.9	Very high	95	Very high	30 Å²	30	24.8 Å²	24.8	18%	0.184	14%	0.142	C	C	.	.			trans	-136.4	161.3	-179.1	67.9	0	0	0	0	111.4	Y376 E378 I423 I449 I456	Y376-T454 VanDerWaalsContact O-CA 3.25Å; Y376-T454 WeakPolarHBondContact O-CA 3.21Å; Y376-T454 WeakPolarHBondContact O-CB 3.46Å; E378-T454 CarbonylContact O-C 3.58Å; E378-T454 WeakPolarHBondContact O-CA 3.42Å; E378-T454 PolarHBondContact O-N 3.44Å; E378-T454 VanDerWaalsContact O-N 3.17Å; I423-T454 HydrophobicContact CD1-CG2 4.06Å; I449-T454 HydrophobicContact CB-CG2 4.08Å; I449-T454 HydrophobicContact CD1-CG2 4.02Å; I449-T454 HydrophobicContact CG2-CG2 3.83Å; T454-I456 VanDerWaalsContact C-N 3.28Å; T454-I456 PolarHBondContact O-N 3.2Å
455	N	96.4	Very high	95.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-83.1	8.4	177.7	72.7	-20	0	0	0	114.7	R374 Y376 P380 D457 F458 L459	R374-N455 PolarHBondContact O-ND2 3.32Å; R374-N455 PolarHBondContact O-OD1 2.87Å; Y376-N455 PolarHBondContact N-OD1 2.88Å; Y376-N455 PolarHBondContact O-N 3.06Å; P380-N455 HydrophobicContact CG-CB 4Å; N455-D457 PolarHBondContact O-N 2.92Å; N455-F458 WeakPolarHBondContact O-CB 3.45Å; N455-F458 PolarHBondContact O-N 2.92Å; N455-L459 WeakPolarHBondContact O-CG 3.46Å; N455-L459 PolarHBondContact O-N 3.3Å
456	I	95.8	Very high	95.2	Very high	11 Å²	11	26 Å²	26	6%	0.056	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-46.1	-172.6	-67.7	163.2	0	0	0	112.5	I375 Y447 I449 T454 F458 L459 L460	I375-I456 HydrophobicContact CD1-CG1 4.26Å; I375-I456 HydrophobicContact CG2-CD1 4.1Å; I375-I456 HydrophobicContact CG2-CG1 3.98Å; Y447-I456 HydrophobicContact CD1-CD1 4.46Å; Y447-I456 HydrophobicContact CG-CD1 4.25Å; I449-I456 HydrophobicContact CD1-CD1 3.82Å; I449-I456 HydrophobicContact CG1-CD1 4.27Å; T454-I456 VanDerWaalsContact C-N 3.28Å; T454-I456 PolarHBondContact O-N 3.2Å; I456-F458 VanDerWaalsContact C-N 3.29Å; I456-F458 PolarHBondContact O-N 3.42Å; I456-L459 WeakPolarHBondContact O-CB 3.42Å; I456-L459 PolarHBondContact O-N 2.81Å; I456-L459 VanDerWaalsContact O-N 3.16Å; I456-L460 HydrophobicContact CG2-CD1 4.33Å; I456-L460 PolarHBondContact O-N 3.45Å
457	D	93.4	Very high	95.4	Very high	90 Å²	90	26 Å²	26	48%	0.481	16%	0.158	S	C	.	.	H	α-helix	trans	-65.5	-36.1	179.5	-72.2	-24.3	0	0	0	111.4	N455 L460 S461	N455-D457 PolarHBondContact O-N 2.92Å; D457-L460 WeakPolarHBondContact O-CB 3.28Å; D457-L460 PolarHBondContact O-N 2.94Å; D457-S461 PolarHBondContact O-N 2.96Å; D457-S461 PolarHBondContact O-OG 2.93Å
458	F	96.1	Very high	95.6	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-43.4	171.9	167.3	-105.6	0	0	0	111.7	I274 P380 F384 N455 I456 L460 S461 L462 I478 L485 F486	I274-F458 HydrophobicContact CG2-CE1 3.89Å; P380-F458 HydrophobicContact CB-CB 3.84Å; P380-F458 HydrophobicContact CB-CG 4.28Å; P380-F458 HydrophobicContact CG-CB 3.68Å; P380-F458 HydrophobicContact CG-CG 4.39Å; F384-F458 AromaticContact CE1-CD1 3.74Å; F384-F458 HydrophobicContact CE1-CD1 3.74Å; F384-F458 AromaticContact CE1-CE1 3.79Å; F384-F458 HydrophobicContact CE1-CE1 3.79Å; F384-F458 HydrophobicContact CE1-CG 4.15Å; F384-F458 HydrophobicContact CE1-CZ 4.27Å; F384-F458 AromaticContact CZ-CD1 3.98Å; F384-F458 HydrophobicContact CZ-CD1 3.98Å; F384-F458 HydrophobicContact CZ-CD2 4.09Å; F384-F458 AromaticContact CZ-CE1 3.79Å; F384-F458 HydrophobicContact CZ-CE1 3.79Å; F384-F458 AromaticContact CZ-CE2 3.93Å; F384-F458 HydrophobicContact CZ-CE2 3.93Å; F384-F458 HydrophobicContact CZ-CG 4.11Å; F384-F458 AromaticContact CZ-CZ 3.78Å; F384-F458 HydrophobicContact CZ-CZ 3.78Å; N455-F458 WeakPolarHBondContact O-CB 3.45Å; N455-F458 PolarHBondContact O-N 2.92Å; I456-F458 VanDerWaalsContact C-N 3.29Å; I456-F458 PolarHBondContact O-N 3.42Å; F458-L460 VanDerWaalsContact C-N 3.3Å; F458-L460 PolarHBondContact O-N 3.31Å; F458-S461 PolarHBondContact O-N 3.42Å; F458-L462 HydrophobicContact CE1-CD1 4.01Å; F458-L462 HydrophobicContact CE2-CD1 4.28Å; F458-L462 HydrophobicContact CZ-CD1 3.62Å; F458-L462 WeakPolarHBondContact O-CB 3.34Å; F458-L462 PolarHBondContact O-N 2.89Å; F458-I478 HydrophobicContact CE1-CD1 4.42Å; F458-I478 HydrophobicContact CZ-CD1 3.78Å; F458-I478 HydrophobicContact CZ-CG1 4.08Å; F458-I478 HydrophobicContact CZ-CG2 4.33Å; F458-L485 HydrophobicContact CD2-CB 4.42Å; F458-L485 HydrophobicContact CE2-CB 4.04Å; F458-L485 HydrophobicContact CE2-CD1 4.18Å; F458-F486 AromaticContact CD2-CE1 3.86Å; F458-F486 HydrophobicContact CD2-CE1 3.86Å; F458-F486 HydrophobicContact CD2-CE2 4.42Å; F458-F486 AromaticContact CD2-CZ 3.71Å; F458-F486 HydrophobicContact CD2-CZ 3.71Å; F458-F486 HydrophobicContact CE2-CE1 4.19Å; F458-F486 HydrophobicContact CE2-CE2 4.04Å; F458-F486 AromaticContact CE2-CZ 3.54Å; F458-F486 HydrophobicContact CE2-CZ 3.54Å; F458-F486 HydrophobicContact CZ-CZ 4.44Å
459	L	97.5	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-36.2	174.8	-67.2	168.1	0	0	0	112	I274 I275 A373 I375 L444 N455 I456 S463	I274-L459 HydrophobicContact CG2-CD2 3.47Å; I274-L459 VanDerWaalsContact CG2-CD2 3.47Å; I275-L459 HydrophobicContact CD1-CD2 3.94Å; I275-L459 HydrophobicContact CG1-CD2 3.71Å; A373-L459 HydrophobicContact CB-CD1 4.15Å; A373-L459 HydrophobicContact CB-CD2 4.26Å; I375-L459 HydrophobicContact CD1-CD1 3.72Å; L444-L459 HydrophobicContact CD1-CB 3.91Å; L444-L459 HydrophobicContact CD2-CB 4.17Å; L444-L459 HydrophobicContact CD2-CD1 4.03Å; N455-L459 WeakPolarHBondContact O-CG 3.46Å; N455-L459 PolarHBondContact O-N 3.3Å; I456-L459 WeakPolarHBondContact O-CB 3.42Å; I456-L459 PolarHBondContact O-N 2.81Å; I456-L459 VanDerWaalsContact O-N 3.16Å; L459-S463 VanDerWaalsContact O-CB 3.24Å; L459-S463 WeakPolarHBondContact O-CB 3.41Å; L459-S463 PolarHBondContact O-N 3.47Å; L459-S463 PolarHBondContact O-OG 2.98Å
460	L	96	Very high	95.9	Very high	21 Å²	21	31.4 Å²	31.4	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-43.6	174.6	-77.4	169.9	0	0	0	112.3	L444 R445 I456 D457 F458 S463 G464	L444-L460 HydrophobicContact CB-CD2 3.59Å; L444-L460 HydrophobicContact CB-CG 3.96Å; L444-L460 HydrophobicContact CD1-CD2 4.17Å; L444-L460 HydrophobicContact CD1-CG 4.39Å; R445-L460 HydrophobicContact CG-CD1 4.06Å; R445-L460 HydrophobicContact CG-CD2 3.8Å; I456-L460 HydrophobicContact CG2-CD1 4.33Å; I456-L460 PolarHBondContact O-N 3.45Å; D457-L460 WeakPolarHBondContact O-CB 3.28Å; D457-L460 PolarHBondContact O-N 2.94Å; F458-L460 VanDerWaalsContact C-N 3.3Å; F458-L460 PolarHBondContact O-N 3.31Å; L460-S463 PolarHBondContact O-OG 2.98Å; L460-G464 PolarHBondContact O-N 3.36Å; L460-G464 VanDerWaalsContact O-N 3.14Å
461	S	95.6	Very high	96	Very high	40 Å²	40	31.5 Å²	31.5	28%	0.28	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-46.4	174	-64	0	0	0	0	111.2	D457 F458 G464 H465	D457-S461 PolarHBondContact O-N 2.96Å; D457-S461 PolarHBondContact O-OG 2.93Å; F458-S461 PolarHBondContact O-N 3.42Å; S461-G464 CarbonylContact O-C 3.59Å; S461-G464 PolarHBondContact O-N 3.43Å; S461-H465 PolarHBondContact O-N 2.77Å; S461-H465 VanDerWaalsContact O-N 3.14Å
462	L	97.4	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-51.6	-178.7	-165.2	153.2	0	0	0	112.2	V267 I275 F458 G464 H465 F468 F477 I478 L485	V267-L462 HydrophobicContact CG1-CD1 3.47Å; V267-L462 VanDerWaalsContact CG1-CD1 3.47Å; V267-L462 HydrophobicContact CG1-CD2 3.72Å; V267-L462 HydrophobicContact CG1-CG 4.2Å; I275-L462 HydrophobicContact CD1-CD2 3.76Å; I275-L462 HydrophobicContact CG1-CD2 4.39Å; F458-L462 HydrophobicContact CE1-CD1 4.01Å; F458-L462 HydrophobicContact CE2-CD1 4.28Å; F458-L462 HydrophobicContact CZ-CD1 3.62Å; F458-L462 WeakPolarHBondContact O-CB 3.34Å; F458-L462 PolarHBondContact O-N 2.89Å; L462-G464 PolarHBondContact O-N 2.95Å; L462-H465 VanDerWaalsContact O-CB 3.29Å; L462-H465 WeakPolarHBondContact O-CB 3.43Å; L462-H465 PolarHBondContact O-N 3.17Å; L462-F468 HydrophobicContact CD2-CD2 3.73Å; L462-F468 HydrophobicContact CD2-CE2 3.96Å; L462-F468 HydrophobicContact CD2-CG 4.1Å; L462-F468 HydrophobicContact CD2-CZ 4.49Å; L462-F468 WeakPolarHBondContact O-CB 3.5Å; L462-F477 HydrophobicContact CD2-CE1 4.35Å; L462-F477 HydrophobicContact CG-CE1 4.06Å; L462-I478 HydrophobicContact CD1-CD1 4.15Å; L462-I478 HydrophobicContact CD1-CG1 3.95Å; L462-L485 VanDerWaalsContact CA-CD2 3.45Å; L462-L485 HydrophobicContact CB-CD2 3.87Å; L462-L485 HydrophobicContact CG-CD2 4.09Å
463	S	97.6	Very high	96.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-19.1	179.8	60	0	0	0	0	113.4	R441 L459 L460	R441-S463 WeakPolarHBondContact CG-OG 3.28Å; L459-S463 VanDerWaalsContact O-CB 3.24Å; L459-S463 WeakPolarHBondContact O-CB 3.41Å; L459-S463 PolarHBondContact O-N 3.47Å; L459-S463 PolarHBondContact O-OG 2.98Å; L460-S463 PolarHBondContact O-OG 2.98Å
464	G	96.4	Very high	96.5	Very high	22 Å²	22	33 Å²	33	23%	0.227	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0.1	173	0	0	0	0	0	114.8	L460 S461 L462	L460-G464 PolarHBondContact O-N 3.36Å; L460-G464 VanDerWaalsContact O-N 3.14Å; S461-G464 CarbonylContact O-C 3.59Å; S461-G464 PolarHBondContact O-N 3.43Å; L462-G464 PolarHBondContact O-N 2.95Å
465	H	98.2	Very high	96.4	Very high	16 Å²	16	33.2 Å²	33.2	7%	0.074	19%	0.186	C	C	.	.			trans	-73.1	133.9	-178.1	-171	-88.2	0	0	0	111	S461 L462 E467 F468 E469 F477 H481 D484 L485	S461-H465 PolarHBondContact O-N 2.77Å; S461-H465 VanDerWaalsContact O-N 3.14Å; L462-H465 VanDerWaalsContact O-CB 3.29Å; L462-H465 WeakPolarHBondContact O-CB 3.43Å; L462-H465 PolarHBondContact O-N 3.17Å; H465-E467 VanDerWaalsContact C-N 3.31Å; H465-E467 WeakPolarHBondContact ND1-CB 3.44Å; H465-E467 PolarHBondContact ND1-N 3.01Å; H465-E467 PolarHBondContact O-N 3.37Å; H465-F468 HydrophobicContact CB-CB 4.27Å; H465-F468 WeakPolarHBondContact O-CA 3.18Å; H465-F468 WeakPolarHBondContact O-CB 3.27Å; H465-F468 PolarHBondContact O-N 2.92Å; H465-E469 PolarHBondContact O-N 3.49Å; H465-F477 HydrophobicContact CB-CZ 4.17Å; H465-F477 AromaticContact ND1-CZ 3.62Å; H465-H481 AromaticContact CE1-CD2 3.93Å; H465-H481 AromaticContact CE1-CE1 3.76Å; H465-H481 AromaticContact CE1-CG 3.51Å; H465-H481 AromaticContact CE1-ND1 3.39Å; H465-H481 PolarHBondContact CE1-ND1 3.03Å; H465-H481 AromaticContact NE2-CG 3.68Å; H465-H481 AromaticContact NE2-ND1 3.6Å; H465-D484 IonicContact NE2-OD2 3.48Å; H465-L485 HydrophobicContact CB-CD2 4.47Å
466	P	97.9	Very high	96.2	Very high	84 Å²	84	34.9 Å²	34.9	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-56.6	-38	-175.1	-28	35.2	0	0	0	114.9	F468 E469 A470	P466-F468 VanDerWaalsContact C-N 3.35Å; P466-E469 PolarHBondContact O-N 3.44Å; P466-A470 WeakPolarHBondContact O-CB 3.5Å; P466-A470 PolarHBondContact O-N 3.02Å
467	E	97.8	Very high	96.2	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-67.3	-36	176.7	-62.4	-61.8	116.2	0	0	112.1	H465 A470 G471 R472 F477	H465-E467 VanDerWaalsContact C-N 3.31Å; H465-E467 WeakPolarHBondContact ND1-CB 3.44Å; H465-E467 PolarHBondContact ND1-N 3.01Å; H465-E467 PolarHBondContact O-N 3.37Å; E467-A470 PolarHBondContact O-N 2.87Å; E467-G471 PolarHBondContact O-N 3.29Å; E467-R472 VanDerWaalsContact CD-NH2 3.35Å; E467-R472 PolarHBondContact O-N 3.42Å; E467-R472 IonicContact OE1-CZ 3.42Å; E467-R472 IonicContact OE1-NE 3.46Å; E467-R472 PolarHBondContact OE1-NE 3.18Å; E467-R472 IonicContact OE1-NH2 3.52Å; E467-R472 PolarHBondContact OE1-NH2 3.2Å; E467-R472 IonicContact OE2-CZ 2.63Å; E467-R472 IonicContact OE2-NE 2.62Å; E467-R472 PolarHBondContact OE2-NE 2.96Å; E467-R472 IonicContact OE2-NH2 3.49Å; E467-R472 PolarHBondContact OE2-NH2 3.4Å; E467-F477 HydrophobicContact CB-CE2 3.75Å; E467-F477 HydrophobicContact CB-CZ 4.34Å
468	F	98.1	Very high	96.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-70.1	-43.8	175.2	-172.9	-94.4	0	0	0	110.9	V267 I275 F371 R433 L437 L462 H465 P466 A470 G471 V473 F477	V267-F468 HydrophobicContact CG2-CD2 3.93Å; V267-F468 HydrophobicContact CG2-CE2 3.75Å; I275-F468 HydrophobicContact CD1-CZ 4.5Å; I275-F468 HydrophobicContact CG2-CE2 4.35Å; I275-F468 HydrophobicContact CG2-CZ 3.78Å; F371-F468 HydrophobicContact CD1-CZ 4.18Å; F371-F468 AromaticContact CE1-CE1 3.88Å; F371-F468 HydrophobicContact CE1-CE1 3.88Å; F371-F468 AromaticContact CE1-CZ 3.65Å; F371-F468 HydrophobicContact CE1-CZ 3.65Å; F371-F468 HydrophobicContact CZ-CE1 4.37Å; R433-F468 VanDerWaalsContact CZ-O 3.3Å; R433-F468 PolarHBondContact NH1-O 3.41Å; R433-F468 PolarHBondContact NH2-O 3.28Å; L437-F468 HydrophobicContact CD1-CD1 4.16Å; L437-F468 HydrophobicContact CD1-CE1 3.68Å; L437-F468 HydrophobicContact CD2-CD1 4.21Å; L437-F468 HydrophobicContact CD2-CE1 4.33Å; L462-F468 HydrophobicContact CD2-CD2 3.73Å; L462-F468 HydrophobicContact CD2-CE2 3.96Å; L462-F468 HydrophobicContact CD2-CG 4.1Å; L462-F468 HydrophobicContact CD2-CZ 4.49Å; L462-F468 WeakPolarHBondContact O-CB 3.5Å; H465-F468 HydrophobicContact CB-CB 4.27Å; H465-F468 WeakPolarHBondContact O-CA 3.18Å; H465-F468 WeakPolarHBondContact O-CB 3.27Å; H465-F468 PolarHBondContact O-N 2.92Å; P466-F468 VanDerWaalsContact C-N 3.35Å; F468-A470 PolarHBondContact O-N 3.46Å; F468-G471 PolarHBondContact O-N 2.91Å; F468-V473 HydrophobicContact CD2-CG1 3.74Å; F468-V473 HydrophobicContact CE2-CG1 4.18Å; F468-F477 HydrophobicContact CB-CE2 4.23Å; F468-F477 HydrophobicContact CB-CZ 3.74Å
469	E	97.8	Very high	96.1	Very high	91 Å²	91	34.6 Å²	34.6	43%	0.425	20%	0.202	S	C	.	.	H	α-helix	trans	-58.2	-37.1	174.9	-70	-171.2	169.1	0	0	111.7	R433 L437 R441 H465 P466 G471	R433-E469 PolarHBondContact NH1-O 3.39Å; L437-E469 HydrophobicContact CD2-CB 4.31Å; L437-E469 HydrophobicContact CD2-CG 3.81Å; R441-E469 IonicContact CZ-OE1 3.78Å; R441-E469 IonicContact NH1-OE1 3.77Å; R441-E469 PolarHBondContact NH1-OE1 2.71Å; H465-E469 PolarHBondContact O-N 3.49Å; P466-E469 PolarHBondContact O-N 3.44Å; E469-G471 VanDerWaalsContact C-N 3.3Å; E469-G471 PolarHBondContact O-N 3.47Å
470	A	97.3	Very high	96	Very high	52 Å²	52	39.2 Å²	39.2	43%	0.43	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.9	176.7	0	0	0	0	0	114.8	P466 E467 F468 R472	P466-A470 WeakPolarHBondContact O-CB 3.5Å; P466-A470 PolarHBondContact O-N 3.02Å; E467-A470 PolarHBondContact O-N 2.87Å; F468-A470 PolarHBondContact O-N 3.46Å; A470-R472 VanDerWaalsContact C-N 3.31Å; A470-R472 HydrophobicContact CB-CG 4.43Å; A470-R472 VanDerWaalsContact CB-CZ 3.43Å
471	G	96.1	Very high	95.9	Very high	11 Å²	11	40 Å²	40	11%	0.113	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	18.4	-177.1	0	0	0	0	0	114.1	E467 F468 E469 V473	E467-G471 PolarHBondContact O-N 3.29Å; F468-G471 PolarHBondContact O-N 2.91Å; E469-G471 VanDerWaalsContact C-N 3.3Å; E469-G471 PolarHBondContact O-N 3.47Å; G471-V473 PolarHBondContact O-N 2.93Å
472	R	95.8	Very high	95.9	Very high	142 Å²	142	44.1 Å²	44.1	54%	0.536	24%	0.237	S	C	.	.			trans	-88.2	78.4	174.6	-67.9	-170.9	-66.1	-88	-3.1	109.1	E467 A470	E467-R472 VanDerWaalsContact CD-NH2 3.35Å; E467-R472 PolarHBondContact O-N 3.42Å; E467-R472 IonicContact OE1-CZ 3.42Å; E467-R472 IonicContact OE1-NE 3.46Å; E467-R472 PolarHBondContact OE1-NE 3.18Å; E467-R472 IonicContact OE1-NH2 3.52Å; E467-R472 PolarHBondContact OE1-NH2 3.2Å; E467-R472 IonicContact OE2-CZ 2.63Å; E467-R472 IonicContact OE2-NE 2.62Å; E467-R472 PolarHBondContact OE2-NE 2.96Å; E467-R472 IonicContact OE2-NH2 3.49Å; E467-R472 PolarHBondContact OE2-NH2 3.4Å; A470-R472 VanDerWaalsContact C-N 3.31Å; A470-R472 HydrophobicContact CB-CG 4.43Å; A470-R472 VanDerWaalsContact CB-CZ 3.43Å
473	V	95.1	Very high	95.6	Very high	12 Å²	12	48 Å²	48	7%	0.073	27%	0.269	C	S	.	.			trans	-113.3	149.7	-177.1	-64.1	0	0	0	0	111.4	R243 V267 P281 F468 G471 F477	R243-V473 WeakPolarHBondContact CG-O 3.35Å; V267-V473 HydrophobicContact CG2-CB 4.23Å; V267-V473 HydrophobicContact CG2-CG1 3.94Å; P281-V473 HydrophobicContact CG-CG2 4.4Å; F468-V473 HydrophobicContact CD2-CG1 3.74Å; F468-V473 HydrophobicContact CE2-CG1 4.18Å; G471-V473 PolarHBondContact O-N 2.93Å; V473-F477 HydrophobicContact CG1-CD2 4.3Å; V473-F477 HydrophobicContact CG1-CE2 4.45Å
474	S	95	Very high	95.4	Very high	8 Å²	8	53 Å²	53	6%	0.056	30%	0.296	C	S	.	.			trans	-148.3	167.9	173.7	75.2	0	0	0	0	109.2	P242 S266 S476 F477 Q480	P242-S474 CarbonylContact O-C 3.45Å; P242-S474 WeakPolarHBondContact O-CA 3.45Å; S266-S474 VanDerWaalsContact O-O 3.13Å; S474-S476 PolarHBondContact O-N 3.43Å; S474-S476 PolarHBondContact OG-N 2.91Å; S474-S476 VanDerWaalsContact OG-N 3.17Å; S474-F477 VanDerWaalsContact O-CB 3.3Å; S474-F477 WeakPolarHBondContact O-CB 3.29Å; S474-F477 PolarHBondContact O-N 2.95Å; S474-F477 VanDerWaalsContact O-N 3.1Å; S474-F477 PolarHBondContact OG-N 3.35Å; S474-Q480 PolarHBondContact OG-OE1 2.76Å
475	T	92.7	Very high	95.3	Very high	35 Å²	35	52 Å²	52	22%	0.215	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.7	173.4	57.6	0	0	0	0	114	P242 H244 S266	P242-T475 HydrophobicContact CG-CG2 4.4Å; P242-T475 WeakPolarHBondContact CG-OG1 3.35Å; P242-T475 PolarHBondContact O-N 3.28Å; P242-T475 PolarHBondContact O-OG1 2.83Å; H244-T475 HydrophobicContact CB-CG2 3.98Å; S266-T475 VanDerWaalsContact O-CA 3.3Å; S266-T475 WeakPolarHBondContact O-CA 3.46Å
476	S	92.4	Very high	95	Very high	35 Å²	35	52.8 Å²	52.8	25%	0.245	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	3.2	179.5	-54.6	0	0	0	0	112.9	D241 S474 I478 P479 Q480	D241-S476 PolarHBondContact OD1-OG 3Å; S474-S476 PolarHBondContact O-N 3.43Å; S474-S476 PolarHBondContact OG-N 2.91Å; S474-S476 VanDerWaalsContact OG-N 3.17Å; S476-I478 PolarHBondContact O-N 2.99Å; S476-P479 VanDerWaalsContact O-CD 3.23Å; S476-P479 WeakPolarHBondContact O-CD 3.1Å; S476-Q480 WeakPolarHBondContact O-CB 3.27Å; S476-Q480 VanDerWaalsContact O-CG 3.25Å; S476-Q480 WeakPolarHBondContact O-CG 3.31Å; S476-Q480 PolarHBondContact O-N 3.45Å
477	F	95.8	Very high	94.4	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-53.8	-49.8	-171.5	-175.1	-86.8	0	0	0	113.6	V267 L462 H465 E467 F468 V473 S474 Q480 H481 L485	V267-F477 HydrophobicContact CG2-CD1 4.49Å; V267-F477 HydrophobicContact CG2-CG 4.45Å; L462-F477 HydrophobicContact CD2-CE1 4.35Å; L462-F477 HydrophobicContact CG-CE1 4.06Å; H465-F477 HydrophobicContact CB-CZ 4.17Å; H465-F477 AromaticContact ND1-CZ 3.62Å; E467-F477 HydrophobicContact CB-CE2 3.75Å; E467-F477 HydrophobicContact CB-CZ 4.34Å; F468-F477 HydrophobicContact CB-CE2 4.23Å; F468-F477 HydrophobicContact CB-CZ 3.74Å; V473-F477 HydrophobicContact CG1-CD2 4.3Å; V473-F477 HydrophobicContact CG1-CE2 4.45Å; S474-F477 VanDerWaalsContact O-CB 3.3Å; S474-F477 WeakPolarHBondContact O-CB 3.29Å; S474-F477 PolarHBondContact O-N 2.95Å; S474-F477 VanDerWaalsContact O-N 3.1Å; S474-F477 PolarHBondContact OG-N 3.35Å; F477-Q480 PolarHBondContact O-N 2.75Å; F477-H481 AromaticContact CD2-CD2 3.71Å; F477-H481 AromaticContact CE2-CD2 3.65Å; F477-H481 AromaticContact CZ-CD2 3.88Å; F477-H481 PolarHBondContact O-CD2 2.88Å; F477-H481 VanDerWaalsContact O-CD2 3.27Å; F477-H481 PolarHBondContact O-N 3.29Å; F477-L485 HydrophobicContact CD1-CD1 4.47Å; F477-L485 HydrophobicContact CE1-CD1 4.3Å
478	I	94.6	Very high	93.6	Very high	7 Å²	7	54 Å²	54	4%	0.036	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-49.5	-178	-65.3	167.7	0	0	0	111.4	V267 R269 I274 F458 L462 S476 Q480 H481 Y482 L485 F486	V267-I478 HydrophobicContact CG1-CD1 4.21Å; V267-I478 HydrophobicContact CG1-CG1 4.37Å; R269-I478 HydrophobicContact CB-CD1 3.98Å; I274-I478 HydrophobicContact CG1-CD1 4.16Å; F458-I478 HydrophobicContact CE1-CD1 4.42Å; F458-I478 HydrophobicContact CZ-CD1 3.78Å; F458-I478 HydrophobicContact CZ-CG1 4.08Å; F458-I478 HydrophobicContact CZ-CG2 4.33Å; L462-I478 HydrophobicContact CD1-CD1 4.15Å; L462-I478 HydrophobicContact CD1-CG1 3.95Å; S476-I478 PolarHBondContact O-N 2.99Å; I478-Q480 VanDerWaalsContact C-N 3.33Å; I478-Q480 PolarHBondContact O-N 3.31Å; I478-H481 PolarHBondContact O-N 2.73Å; I478-Y482 WeakPolarHBondContact O-CA 3.41Å; I478-Y482 PolarHBondContact O-N 3.23Å; I478-Y482 VanDerWaalsContact O-N 3.07Å; I478-L485 HydrophobicContact CB-CD1 4.28Å; I478-L485 HydrophobicContact CG1-CD1 4.17Å; I478-L485 HydrophobicContact CG2-CD1 4.23Å; I478-F486 HydrophobicContact CG2-CE2 4.46Å
479	P	93	Very high	92.7	Very high	94 Å²	94	59.5 Å²	59.5	61%	0.61	35%	0.345	S	S	*	.	H	α-helix	trans	-56.3	-41.1	171.6	-27.8	32.8	0	0	0	114.4	S476	S476-P479 VanDerWaalsContact O-CD 3.23Å; S476-P479 WeakPolarHBondContact O-CD 3.1Å
480	Q	94.8	Very high	91.8	Very high	96 Å²	96	66.6 Å²	66.6	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-66.6	-36.7	-178	-77	170.1	-12.6	0	0	112.5	D241 S474 S476 F477 I478	D241-Q480 PolarHBondContact OD1-NE2 3.28Å; S474-Q480 PolarHBondContact OG-OE1 2.76Å; S476-Q480 WeakPolarHBondContact O-CB 3.27Å; S476-Q480 VanDerWaalsContact O-CG 3.25Å; S476-Q480 WeakPolarHBondContact O-CG 3.31Å; S476-Q480 PolarHBondContact O-N 3.45Å; F477-Q480 PolarHBondContact O-N 2.75Å; I478-Q480 VanDerWaalsContact C-N 3.33Å; I478-Q480 PolarHBondContact O-N 3.31Å
481	H	95.8	Very high	91.2	Very high	37 Å²	37	67.8 Å²	67.8	17%	0.171	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	22.9	-175.7	-59.6	-62.7	0	0	0	113.3	H465 F477 I478 A483 D484 L485	H465-H481 AromaticContact CE1-CD2 3.93Å; H465-H481 AromaticContact CE1-CE1 3.76Å; H465-H481 AromaticContact CE1-CG 3.51Å; H465-H481 AromaticContact CE1-ND1 3.39Å; H465-H481 PolarHBondContact CE1-ND1 3.03Å; H465-H481 AromaticContact NE2-CG 3.68Å; H465-H481 AromaticContact NE2-ND1 3.6Å; F477-H481 AromaticContact CD2-CD2 3.71Å; F477-H481 AromaticContact CE2-CD2 3.65Å; F477-H481 AromaticContact CZ-CD2 3.88Å; F477-H481 PolarHBondContact O-CD2 2.88Å; F477-H481 VanDerWaalsContact O-CD2 3.27Å; F477-H481 PolarHBondContact O-N 3.29Å; I478-H481 PolarHBondContact O-N 2.73Å; H481-A483 VanDerWaalsContact C-N 3.33Å; H481-A483 PolarHBondContact O-N 3.12Å; H481-D484 PolarHBondContact O-N 3.41Å; H481-D484 VanDerWaalsContact O-N 3.08Å; H481-L485 HydrophobicContact CB-CD1 4.17Å; H481-L485 HydrophobicContact CB-CG 4.24Å; H481-L485 VanDerWaalsContact O-CG 3.29Å; H481-L485 WeakPolarHBondContact O-CG 3.44Å; H481-L485 PolarHBondContact O-N 3.36Å
482	Y	93.8	Very high	90.8	Very high	128 Å²	128	69 Å²	69	50%	0.502	38%	0.383	S	S	.	.	H	α-helix	trans	-53.5	-46.8	-173.2	-169.7	-84.1	0	0	0	112.7	I478 D484 L485 F486	I478-Y482 WeakPolarHBondContact O-CA 3.41Å; I478-Y482 PolarHBondContact O-N 3.23Å; I478-Y482 VanDerWaalsContact O-N 3.07Å; Y482-D484 VanDerWaalsContact C-N 3.25Å; Y482-D484 PolarHBondContact O-N 2.9Å; Y482-L485 PolarHBondContact O-N 2.95Å; Y482-F486 AromaticContact CD1-CD2 3.83Å; Y482-F486 HydrophobicContact CD1-CD2 3.83Å; Y482-F486 AromaticContact CD2-CD2 3.6Å; Y482-F486 HydrophobicContact CD2-CD2 3.6Å; Y482-F486 AromaticContact CD2-CE2 3.45Å; Y482-F486 HydrophobicContact CD2-CE2 3.45Å; Y482-F486 VanDerWaalsContact CD2-CE2 3.45Å; Y482-F486 HydrophobicContact CD2-CZ 4.49Å; Y482-F486 HydrophobicContact CE1-CB 4.32Å; Y482-F486 AromaticContact CE1-CD2 3.75Å; Y482-F486 HydrophobicContact CE1-CD2 3.75Å; Y482-F486 HydrophobicContact CE1-CE2 4.46Å; Y482-F486 HydrophobicContact CE1-CG 4.2Å; Y482-F486 AromaticContact CE2-CD2 3.53Å; Y482-F486 HydrophobicContact CE2-CD2 3.53Å; Y482-F486 AromaticContact CE2-CE2 3.39Å; Y482-F486 HydrophobicContact CE2-CE2 3.39Å; Y482-F486 HydrophobicContact CE2-CG 4.39Å; Y482-F486 HydrophobicContact CE2-CZ 4.11Å; Y482-F486 AromaticContact CG-CD2 3.75Å; Y482-F486 HydrophobicContact CG-CD2 3.75Å; Y482-F486 HydrophobicContact CG-CE2 4.04Å; Y482-F486 AromaticContact CZ-CD2 3.6Å; Y482-F486 AromaticContact CZ-CE2 3.93Å; Y482-F486 VanDerWaalsContact O-CD2 3.22Å; Y482-F486 WeakPolarHBondContact O-CD2 3.31Å; Y482-F486 PolarHBondContact O-N 3.12Å; Y482-F486 VanDerWaalsContact O-N 3.08Å
483	A	91.9	Very high	90.6	Very high	82 Å²	82	64.6 Å²	64.6	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-59.3	-35.3	-178.5	0	0	0	0	0	113.4	H481	H481-A483 VanDerWaalsContact C-N 3.33Å; H481-A483 PolarHBondContact O-N 3.12Å
484	D	93.3	Very high	90.5	Very high	104 Å²	104	64.7 Å²	64.7	56%	0.556	38%	0.377	S	S	*	.	H	α-helix	trans	-81.7	-29.4	-178.9	-59.3	-41.8	0	0	0	112.1	H465 H481 Y482	H465-D484 IonicContact NE2-OD2 3.48Å; H481-D484 PolarHBondContact O-N 3.41Å; H481-D484 VanDerWaalsContact O-N 3.08Å; Y482-D484 VanDerWaalsContact C-N 3.25Å; Y482-D484 PolarHBondContact O-N 2.9Å
485	L	94.1	Very high	90.4	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-81.7	-23.3	-178.8	-65.1	176.2	0	0	0	113.6	F458 L462 H465 F477 I478 H481 Y482 P487	F458-L485 HydrophobicContact CD2-CB 4.42Å; F458-L485 HydrophobicContact CE2-CB 4.04Å; F458-L485 HydrophobicContact CE2-CD1 4.18Å; L462-L485 VanDerWaalsContact CA-CD2 3.45Å; L462-L485 HydrophobicContact CB-CD2 3.87Å; L462-L485 HydrophobicContact CG-CD2 4.09Å; H465-L485 HydrophobicContact CB-CD2 4.47Å; F477-L485 HydrophobicContact CD1-CD1 4.47Å; F477-L485 HydrophobicContact CE1-CD1 4.3Å; I478-L485 HydrophobicContact CB-CD1 4.28Å; I478-L485 HydrophobicContact CG1-CD1 4.17Å; I478-L485 HydrophobicContact CG2-CD1 4.23Å; H481-L485 HydrophobicContact CB-CD1 4.17Å; H481-L485 HydrophobicContact CB-CG 4.24Å; H481-L485 VanDerWaalsContact O-CG 3.29Å; H481-L485 WeakPolarHBondContact O-CG 3.44Å; H481-L485 PolarHBondContact O-N 3.36Å; Y482-L485 PolarHBondContact O-N 2.95Å; L485-P487 VanDerWaalsContact O-CD 3.27Å; L485-P487 WeakPolarHBondContact O-CD 3.49Å
486	F	91.3	Very high	90.5	Very high	31 Å²	31	68 Å²	68	14%	0.136	39%	0.392	C	S	.	.	S	Bend	trans	-118.7	63.5	178.4	-58.2	-84.5	0	0	0	111.3	P380 F384 F458 I478 Y482	P380-F486 HydrophobicContact CB-CD1 4.41Å; P380-F486 HydrophobicContact CB-CE1 3.75Å; P380-F486 VanDerWaalsContact O-CE1 3.31Å; P380-F486 WeakPolarHBondContact O-CE1 3.46Å; F384-F486 AromaticContact CE2-CE1 3.76Å; F384-F486 HydrophobicContact CE2-CE1 3.76Å; F384-F486 AromaticContact CE2-CZ 3.44Å; F384-F486 HydrophobicContact CE2-CZ 3.44Å; F384-F486 VanDerWaalsContact CE2-CZ 3.44Å; F384-F486 AromaticContact CZ-CE1 3.81Å; F384-F486 HydrophobicContact CZ-CE1 3.81Å; F384-F486 AromaticContact CZ-CZ 3.52Å; F384-F486 HydrophobicContact CZ-CZ 3.52Å; F458-F486 AromaticContact CD2-CE1 3.86Å; F458-F486 HydrophobicContact CD2-CE1 3.86Å; F458-F486 HydrophobicContact CD2-CE2 4.42Å; F458-F486 AromaticContact CD2-CZ 3.71Å; F458-F486 HydrophobicContact CD2-CZ 3.71Å; F458-F486 HydrophobicContact CE2-CE1 4.19Å; F458-F486 HydrophobicContact CE2-CE2 4.04Å; F458-F486 AromaticContact CE2-CZ 3.54Å; F458-F486 HydrophobicContact CE2-CZ 3.54Å; F458-F486 HydrophobicContact CZ-CZ 4.44Å; I478-F486 HydrophobicContact CG2-CE2 4.46Å; Y482-F486 AromaticContact CD1-CD2 3.83Å; Y482-F486 HydrophobicContact CD1-CD2 3.83Å; Y482-F486 AromaticContact CD2-CD2 3.6Å; Y482-F486 HydrophobicContact CD2-CD2 3.6Å; Y482-F486 AromaticContact CD2-CE2 3.45Å; Y482-F486 HydrophobicContact CD2-CE2 3.45Å; Y482-F486 VanDerWaalsContact CD2-CE2 3.45Å; Y482-F486 HydrophobicContact CD2-CZ 4.49Å; Y482-F486 HydrophobicContact CE1-CB 4.32Å; Y482-F486 AromaticContact CE1-CD2 3.75Å; Y482-F486 HydrophobicContact CE1-CD2 3.75Å; Y482-F486 HydrophobicContact CE1-CE2 4.46Å; Y482-F486 HydrophobicContact CE1-CG 4.2Å; Y482-F486 AromaticContact CE2-CD2 3.53Å; Y482-F486 HydrophobicContact CE2-CD2 3.53Å; Y482-F486 AromaticContact CE2-CE2 3.39Å; Y482-F486 HydrophobicContact CE2-CE2 3.39Å; Y482-F486 HydrophobicContact CE2-CG 4.39Å; Y482-F486 HydrophobicContact CE2-CZ 4.11Å; Y482-F486 AromaticContact CG-CD2 3.75Å; Y482-F486 HydrophobicContact CG-CD2 3.75Å; Y482-F486 HydrophobicContact CG-CE2 4.04Å; Y482-F486 AromaticContact CZ-CD2 3.6Å; Y482-F486 AromaticContact CZ-CE2 3.93Å; Y482-F486 VanDerWaalsContact O-CD2 3.22Å; Y482-F486 WeakPolarHBondContact O-CD2 3.31Å; Y482-F486 PolarHBondContact O-N 3.12Å; Y482-F486 VanDerWaalsContact O-N 3.08Å
487	P	85.3	Confident	90.6	Very high	74 Å²	74	66.7 Å²	66.7	48%	0.481	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65.3	150.2	178.5	29.8	-35.4	0	0	0	110.9	L485	L485-P487 VanDerWaalsContact O-CD 3.27Å; L485-P487 WeakPolarHBondContact O-CD 3.49Å
488	A	82.4	Confident	90.6	Very high	90 Å²	90	66.7 Å²	66.7	74%	0.744	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-58.1	138.3	176.7	0	0	0	0	0	111.1	R490	A488-R490 PolarHBondContact O-N 2.86Å
489	P	77.9	Confident	90.7	Very high	118 Å²	118	67.4 Å²	67.4	77%	0.766	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-54.6	124.1	177.8	-26.3	33.7	0	0	0	111.5
490	R	80.3	Confident	90.8	Very high	240 Å²	240	63 Å²	63	91%	0.906	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-84.5	129.4	175.8	-163.4	176.4	-176.3	172.7	0.9	109.1	A488	A488-R490 PolarHBondContact O-N 2.86Å
491	A	83.8	Confident	90.8	Very high	76 Å²	76	58.4 Å²	58.4	63%	0.628	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-59.4	139.6	172.9	0	0	0	0	0	110.1
492	P	87.2	Confident	90.8	Very high	36 Å²	36	56.6 Å²	56.6	23%	0.234	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-52.4	142.4	173.5	-29.8	37.8	0	0	0	111.8	T496 L546 A616	P492-T496 HydrophobicContact CB-CG2 4Å; P492-L546 HydrophobicContact CG-CD1 4.48Å; P492-L546 HydrophobicContact CG-CD2 3.78Å; P492-A616 HydrophobicContact CG-CB 4.5Å
493	S	91.5	Very high	90.9	Very high	51 Å²	51	50.5 Å²	50.5	36%	0.357	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-70.5	165.4	178.2	84.6	0	0	0	0	111.1	E495 T496 L497	S493-E495 WeakPolarHBondContact CB-OE2 3.47Å; S493-E495 PolarHBondContact O-N 3.44Å; S493-E495 PolarHBondContact OG-N 2.77Å; S493-E495 PolarHBondContact OG-OE2 2.77Å; S493-T496 PolarHBondContact O-N 3.3Å; S493-T496 VanDerWaalsContact O-N 3.15Å; S493-T496 PolarHBondContact OG-N 3.2Å; S493-T496 PolarHBondContact OG-OG1 2.94Å; S493-L497 WeakPolarHBondContact O-CG 3.34Å; S493-L497 PolarHBondContact O-N 2.88Å
494	G	92.9	Very high	90.9	Very high	14 Å²	14	47.4 Å²	47.4	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-33.1	174.9	0	0	0	0	0	112.4	L497 C498 Y572	G494-L497 PolarHBondContact O-N 2.71Å; G494-C498 WeakPolarHBondContact O-CB 3.5Å; G494-C498 PolarHBondContact O-N 3.17Å; G494-C498 PolarHBondContact O-SG 3.08Å; G494-Y572 WeakPolarHBondContact CA-OH 3.25Å
495	E	94.1	Very high	90.9	Very high	83 Å²	83	42.8 Å²	42.8	39%	0.388	25%	0.25	S	C	.	.	H	α-helix	trans	-64.1	-45.6	173	-58.8	79	-175.4	0	0	111.7	S493 L497 C498 Q499 Y572 V591	S493-E495 WeakPolarHBondContact CB-OE2 3.47Å; S493-E495 PolarHBondContact O-N 3.44Å; S493-E495 PolarHBondContact OG-N 2.77Å; S493-E495 PolarHBondContact OG-OE2 2.77Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 3.4Å; E495-C498 WeakPolarHBondContact O-CB 3.32Å; E495-C498 PolarHBondContact O-N 3.44Å; E495-C498 VanDerWaalsContact O-N 3.17Å; E495-Q499 WeakPolarHBondContact O-CG 3.34Å; E495-Q499 PolarHBondContact O-N 2.86Å; E495-Y572 HydrophobicContact CG-CD1 4.43Å; E495-Y572 HydrophobicContact CG-CE1 4.15Å; E495-V591 HydrophobicContact CB-CG1 4.11Å; E495-V591 HydrophobicContact CG-CG1 3.86Å
496	T	93.9	Very high	90.8	Very high	29 Å²	29	43.7 Å²	43.7	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-39.6	176	-54.3	0	0	0	0	111.7	P492 S493 C498 Q499 A500 L609 A616	P492-T496 HydrophobicContact CB-CG2 4Å; S493-T496 PolarHBondContact O-N 3.3Å; S493-T496 VanDerWaalsContact O-N 3.15Å; S493-T496 PolarHBondContact OG-N 3.2Å; S493-T496 PolarHBondContact OG-OG1 2.94Å; T496-C498 VanDerWaalsContact C-N 3.34Å; T496-Q499 WeakPolarHBondContact O-CB 3.39Å; T496-Q499 PolarHBondContact O-N 3.27Å; T496-A500 PolarHBondContact O-N 3.18Å; T496-L609 HydrophobicContact CG2-CD1 4Å; T496-A616 HydrophobicContact CG2-CB 3.49Å; T496-A616 VanDerWaalsContact CG2-CB 3.49Å
497	L	95.1	Very high	90.7	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-40	173.7	-72.5	175.9	0	0	0	112.1	S493 G494 E495 A500 A501 L544 L546 V551 V567 V618	S493-L497 WeakPolarHBondContact O-CG 3.34Å; S493-L497 PolarHBondContact O-N 2.88Å; G494-L497 PolarHBondContact O-N 2.71Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 3.4Å; L497-A500 PolarHBondContact O-N 2.89Å; L497-A501 WeakPolarHBondContact O-CB 3.23Å; L497-A501 PolarHBondContact O-N 2.82Å; L497-L544 HydrophobicContact CD2-CD1 3.99Å; L497-L546 HydrophobicContact CD1-CD1 4.42Å; L497-L546 HydrophobicContact CD2-CD1 4Å; L497-L546 HydrophobicContact CD2-CD2 4.05Å; L497-L546 HydrophobicContact CD2-CG 4.28Å; L497-V551 HydrophobicContact CD1-CG1 3.95Å; L497-V567 HydrophobicContact CB-CG2 4.49Å; L497-V567 HydrophobicContact CD1-CG1 3.77Å; L497-V618 HydrophobicContact CD2-CG1 4.26Å; L497-V618 HydrophobicContact CD2-CG2 4.33Å
498	C	96.1	Very high	90.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-39.6	174	-69.8	0	0	0	0	112.1	G494 E495 T496 A501 L502 M565 Y572 V574	G494-C498 WeakPolarHBondContact O-CB 3.5Å; G494-C498 PolarHBondContact O-N 3.17Å; G494-C498 PolarHBondContact O-SG 3.08Å; E495-C498 WeakPolarHBondContact O-CB 3.32Å; E495-C498 PolarHBondContact O-N 3.44Å; E495-C498 VanDerWaalsContact O-N 3.17Å; T496-C498 VanDerWaalsContact C-N 3.34Å; C498-A501 PolarHBondContact O-N 3.17Å; C498-L502 VanDerWaalsContact O-CB 3.25Å; C498-L502 WeakPolarHBondContact O-CB 3.39Å; C498-L502 PolarHBondContact O-N 3.03Å; C498-M565 HydrophobicContact CB-SD 3.79Å; C498-Y572 VanDerWaalsContact SG-CD2 3.52Å; C498-Y572 VanDerWaalsContact SG-CG 3.57Å; C498-V574 HydrophobicContact CB-CG2 3.9Å
499	Q	95.8	Very high	91.1	Very high	23 Å²	23	46 Å²	46	11%	0.107	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-43.5	173.9	-71.2	170.5	-20.3	0	0	111.4	E495 T496 L502 G503 L587 V591 S596 L609	E495-Q499 WeakPolarHBondContact O-CG 3.34Å; E495-Q499 PolarHBondContact O-N 2.86Å; T496-Q499 WeakPolarHBondContact O-CB 3.39Å; T496-Q499 PolarHBondContact O-N 3.27Å; Q499-L502 PolarHBondContact O-N 3.39Å; Q499-G503 PolarHBondContact O-N 3.23Å; Q499-L587 HydrophobicContact CB-CD2 3.93Å; Q499-L587 HydrophobicContact CG-CD2 4.42Å; Q499-L587 VanDerWaalsContact O-CD2 3.3Å; Q499-L587 WeakPolarHBondContact O-CD2 3.42Å; Q499-V591 HydrophobicContact CG-CG2 4.25Å; Q499-S596 PolarHBondContact NE2-OG 2.82Å; Q499-L609 HydrophobicContact CB-CD1 3.67Å
500	A	95.3	Very high	91.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-46.3	178.2	0	0	0	0	0	111.3	T496 L497 L502 G503 L504 V607 L609 V618	T496-A500 PolarHBondContact O-N 3.18Å; L497-A500 PolarHBondContact O-N 2.89Å; A500-L502 PolarHBondContact O-N 3.27Å; A500-G503 PolarHBondContact O-N 3.06Å; A500-L504 PolarHBondContact O-N 2.58Å; A500-L504 VanDerWaalsContact O-N 3.11Å; A500-V607 HydrophobicContact CB-CB 4.38Å; A500-V607 HydrophobicContact CB-CG1 4.11Å; A500-L609 HydrophobicContact CB-CD1 4.06Å; A500-V618 HydrophobicContact CB-CB 4.06Å; A500-V618 HydrophobicContact CB-CG1 4.34Å; A500-V618 HydrophobicContact CB-CG2 4.01Å
501	A	95.9	Very high	91.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-45.1	174.4	0	0	0	0	0	111.6	L497 C498 G503 L504 L505 M542 V553 M565	L497-A501 WeakPolarHBondContact O-CB 3.23Å; L497-A501 PolarHBondContact O-N 2.82Å; C498-A501 PolarHBondContact O-N 3.17Å; A501-G503 PolarHBondContact O-N 3Å; A501-L504 PolarHBondContact O-N 2.85Å; A501-L505 VanDerWaalsContact O-CG 3.25Å; A501-L505 WeakPolarHBondContact O-CG 3.29Å; A501-L505 PolarHBondContact O-N 2.66Å; A501-M542 HydrophobicContact CB-SD 4.31Å; A501-V553 HydrophobicContact CB-CG1 4.16Å; A501-M565 HydrophobicContact CB-CE 4.32Å; A501-M565 HydrophobicContact CB-SD 4.04Å
502	L	95.7	Very high	92.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-42.9	176.4	-178.7	65.3	0	0	0	111.9	C498 Q499 A500 L504 L505 L506 Y563 M565 V574 L587 C589	C498-L502 VanDerWaalsContact O-CB 3.25Å; C498-L502 WeakPolarHBondContact O-CB 3.39Å; C498-L502 PolarHBondContact O-N 3.03Å; Q499-L502 PolarHBondContact O-N 3.39Å; A500-L502 PolarHBondContact O-N 3.27Å; L502-L504 PolarHBondContact O-N 3.33Å; L502-L505 PolarHBondContact O-N 3.22Å; L502-L506 HydrophobicContact CD1-CD1 3.92Å; L502-L506 HydrophobicContact CD1-CG 4.01Å; L502-L506 HydrophobicContact CD2-CD1 4.34Å; L502-L506 HydrophobicContact CG-CD1 3.77Å; L502-L506 HydrophobicContact CG-CG 4.26Å; L502-L506 WeakPolarHBondContact O-CB 3.34Å; L502-L506 VanDerWaalsContact O-CG 3.29Å; L502-L506 WeakPolarHBondContact O-CG 3.13Å; L502-L506 PolarHBondContact O-N 3.08Å; L502-Y563 HydrophobicContact CD1-CD2 3.7Å; L502-Y563 HydrophobicContact CD1-CE2 3.6Å; L502-M565 HydrophobicContact CB-CE 4.01Å; L502-M565 HydrophobicContact CD1-CE 4.42Å; L502-V574 HydrophobicContact CB-CG1 4.15Å; L502-V574 HydrophobicContact CD1-CG1 4.29Å; L502-V574 HydrophobicContact CD2-CG1 3.78Å; L502-V574 HydrophobicContact CG-CG1 4.29Å; L502-L587 HydrophobicContact CD2-CD1 3.9Å; L502-L587 HydrophobicContact CG-CD1 4.1Å; L502-C589 HydrophobicContact CD2-CB 3.54Å
503	G	94.6	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.9	-47.2	176.7	0	0	0	0	0	112.3	Q499 A500 A501 L506 Q507	Q499-G503 PolarHBondContact O-N 3.23Å; A500-G503 PolarHBondContact O-N 3.06Å; A501-G503 PolarHBondContact O-N 3Å; G503-L506 PolarHBondContact O-N 3.42Å; G503-Q507 WeakPolarHBondContact O-CB 3.38Å; G503-Q507 PolarHBondContact O-N 2.85Å
504	L	92.5	Very high	91.9	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-45	175.7	-69.8	168.2	0	0	0	112.2	A500 A501 L502 L506 Q507 E508 M542 L544 V602 V607 V620	A500-L504 PolarHBondContact O-N 2.58Å; A500-L504 VanDerWaalsContact O-N 3.11Å; A501-L504 PolarHBondContact O-N 2.85Å; L502-L504 PolarHBondContact O-N 3.33Å; L504-L506 PolarHBondContact O-N 2.95Å; L504-Q507 PolarHBondContact O-N 3.5Å; L504-E508 WeakPolarHBondContact O-CB 3.25Å; L504-E508 PolarHBondContact O-N 3.34Å; L504-M542 HydrophobicContact CB-CE 3.77Å; L504-M542 HydrophobicContact CD1-CE 3.89Å; L504-L544 HydrophobicContact CD1-CD2 3.93Å; L504-V602 HydrophobicContact CD2-CG1 4.21Å; L504-V607 HydrophobicContact CD1-CG2 3.93Å; L504-V607 HydrophobicContact CD2-CG2 3.54Å; L504-V607 HydrophobicContact CG-CG2 3.54Å; L504-V620 HydrophobicContact CD1-CG2 3.58Å; L504-V620 HydrophobicContact CD2-CG2 4.27Å
505	L	92.7	Very high	91.7	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-43	178.8	-70.8	173.7	0	0	0	112.5	A501 L502 R509 M542 V555 Y557 Y563 M565	A501-L505 VanDerWaalsContact O-CG 3.25Å; A501-L505 WeakPolarHBondContact O-CG 3.29Å; A501-L505 PolarHBondContact O-N 2.66Å; L502-L505 PolarHBondContact O-N 3.22Å; L505-R509 WeakPolarHBondContact O-CB 3.44Å; L505-R509 PolarHBondContact O-N 3.29Å; L505-M542 HydrophobicContact CD1-SD 4.21Å; L505-M542 HydrophobicContact CD2-CE 4.33Å; L505-M542 HydrophobicContact CD2-SD 3.68Å; L505-M542 HydrophobicContact CG-CE 4.35Å; L505-M542 HydrophobicContact CG-SD 3.81Å; L505-V555 HydrophobicContact CD1-CG1 3.77Å; L505-V555 HydrophobicContact CD1-CG2 4.32Å; L505-Y557 WeakPolarHBondContact CD2-OH 3.36Å; L505-Y563 HydrophobicContact CD1-CD1 4.16Å; L505-Y563 HydrophobicContact CD1-CE1 4.08Å; L505-M565 HydrophobicContact CD1-CE 3.84Å
506	L	92.1	Very high	91.5	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-71.9	-35	179.9	-67.8	174.3	0	0	0	111.8	L502 G503 L504 R509 K510 V578 L587	L502-L506 HydrophobicContact CD1-CD1 3.92Å; L502-L506 HydrophobicContact CD1-CG 4.01Å; L502-L506 HydrophobicContact CD2-CD1 4.34Å; L502-L506 HydrophobicContact CG-CD1 3.77Å; L502-L506 HydrophobicContact CG-CG 4.26Å; L502-L506 WeakPolarHBondContact O-CB 3.34Å; L502-L506 VanDerWaalsContact O-CG 3.29Å; L502-L506 WeakPolarHBondContact O-CG 3.13Å; L502-L506 PolarHBondContact O-N 3.08Å; G503-L506 PolarHBondContact O-N 3.42Å; L504-L506 PolarHBondContact O-N 2.95Å; L506-R509 PolarHBondContact O-N 2.92Å; L506-K510 WeakPolarHBondContact O-CB 3.37Å; L506-K510 PolarHBondContact O-N 2.8Å; L506-V578 HydrophobicContact CB-CG2 3.83Å; L506-V578 HydrophobicContact CD1-CG2 3.84Å; L506-L587 HydrophobicContact CD1-CD1 3.74Å
507	Q	89.1	Confident	91.2	Very high	61 Å²	61	50.2 Å²	50.2	29%	0.285	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-45.4	173.2	-172.9	178.6	20.8	0	0	111.7	G503 L504 R509 K510 H511 V602	G503-Q507 WeakPolarHBondContact O-CB 3.38Å; G503-Q507 PolarHBondContact O-N 2.85Å; L504-Q507 PolarHBondContact O-N 3.5Å; Q507-R509 VanDerWaalsContact C-N 3.31Å; Q507-R509 PolarHBondContact O-N 3.28Å; Q507-K510 PolarHBondContact O-N 2.92Å; Q507-H511 PolarHBondContact O-N 3.15Å; Q507-V602 VanDerWaalsContact OE1-CB 3.28Å
508	E	88.4	Confident	90.9	Very high	74 Å²	74	54.1 Å²	54.1	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-47.6	174.2	-177.2	-178.8	152.6	0	0	110.6	L504 K510 H511 T512 R540	L504-E508 WeakPolarHBondContact O-CB 3.25Å; L504-E508 PolarHBondContact O-N 3.34Å; E508-K510 VanDerWaalsContact C-N 3.34Å; E508-K510 PolarHBondContact O-N 3.17Å; E508-H511 PolarHBondContact O-N 3.08Å; E508-T512 PolarHBondContact O-N 3.19Å; E508-T512 PolarHBondContact O-OG1 3.42Å; E508-R540 IonicContact OE1-NH1 2.81Å; E508-R540 PolarHBondContact OE1-NH1 3.11Å; E508-R540 IonicContact OE2-CZ 2.99Å; E508-R540 VanDerWaalsContact OE2-CZ 3.26Å; E508-R540 IonicContact OE2-NH1 3.65Å; E508-R540 PolarHBondContact OE2-NH1 3.15Å; E508-R540 IonicContact OE2-NH2 3.84Å; E508-R540 PolarHBondContact OE2-NH2 3Å
509	R	88.8	Confident	90.7	Very high	109 Å²	109	56.2 Å²	56.2	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-57.5	-45.8	176.6	-178	176.5	176.6	167.2	3.3	112.2	L505 L506 Q507 H511 T512 E513	L505-R509 WeakPolarHBondContact O-CB 3.44Å; L505-R509 PolarHBondContact O-N 3.29Å; L506-R509 PolarHBondContact O-N 2.92Å; Q507-R509 VanDerWaalsContact C-N 3.31Å; Q507-R509 PolarHBondContact O-N 3.28Å; R509-H511 VanDerWaalsContact C-N 3.35Å; R509-H511 PolarHBondContact O-N 2.86Å; R509-T512 PolarHBondContact O-N 3.07Å; R509-E513 HydrophobicContact CG-CG 4.44Å; R509-E513 WeakPolarHBondContact CG-OE1 3.33Å; R509-E513 IonicContact CZ-OE1 2.8Å; R509-E513 IonicContact NE-OE1 3.13Å; R509-E513 PolarHBondContact NE-OE1 3.35Å; R509-E513 IonicContact NH2-OE1 2.96Å; R509-E513 WeakPolarHBondContact O-CB 3.47Å; R509-E513 VanDerWaalsContact O-CG 3.31Å; R509-E513 WeakPolarHBondContact O-CG 3.21Å; R509-E513 PolarHBondContact O-N 3.05Å
510	K	87.3	Confident	90.5	Very high	123 Å²	123	62.3 Å²	62.3	54%	0.535	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-40.8	177.3	-172.4	-179.2	179	-177.5	0	112	L506 Q507 E508 E513 A514	L506-K510 WeakPolarHBondContact O-CB 3.37Å; L506-K510 PolarHBondContact O-N 2.8Å; Q507-K510 PolarHBondContact O-N 2.92Å; E508-K510 VanDerWaalsContact C-N 3.34Å; E508-K510 PolarHBondContact O-N 3.17Å; K510-E513 PolarHBondContact O-N 3.01Å; K510-A514 WeakPolarHBondContact O-CB 3.27Å; K510-A514 PolarHBondContact O-N 3.45Å
511	H	86.4	Confident	90.3	Very high	117 Å²	117	66 Å²	66	54%	0.542	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-43.3	175.7	-69.4	178.5	0	0	0	111.7	Q507 E508 R509 A514 F515	Q507-H511 PolarHBondContact O-N 3.15Å; E508-H511 PolarHBondContact O-N 3.08Å; R509-H511 VanDerWaalsContact C-N 3.35Å; R509-H511 PolarHBondContact O-N 2.86Å; H511-A514 PolarHBondContact O-N 3.4Å; H511-F515 WeakPolarHBondContact O-CB 3.35Å; H511-F515 PolarHBondContact O-N 2.88Å
512	T	88.7	Confident	89.9	Confident	32 Å²	32	68.8 Å²	68.8	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-41.6	176.5	-49.9	0	0	0	0	111.9	E508 R509 F515 T516 G527 S529	E508-T512 PolarHBondContact O-N 3.19Å; E508-T512 PolarHBondContact O-OG1 3.42Å; R509-T512 PolarHBondContact O-N 3.07Å; T512-F515 PolarHBondContact O-N 3.46Å; T512-T516 VanDerWaalsContact O-CB 3.29Å; T512-T516 WeakPolarHBondContact O-CB 3.32Å; T512-T516 PolarHBondContact O-N 2.87Å; T512-T516 PolarHBondContact O-OG1 2.94Å; T512-G527 VanDerWaalsContact CG2-O 3.27Å; T512-G527 WeakPolarHBondContact CG2-O 3.22Å; T512-S529 VanDerWaalsContact CB-OG 3.23Å; T512-S529 WeakPolarHBondContact CB-OG 3.26Å; T512-S529 WeakPolarHBondContact CG2-OG 3.38Å; T512-S529 PolarHBondContact OG1-OG 3.2Å
513	E	87.4	Confident	89.5	Confident	84 Å²	84	77.8 Å²	77.8	39%	0.393	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.7	-75.3	170.7	-174.4	0	0	111.1	R509 K510 T516 Q517	R509-E513 HydrophobicContact CG-CG 4.44Å; R509-E513 WeakPolarHBondContact CG-OE1 3.33Å; R509-E513 IonicContact CZ-OE1 2.8Å; R509-E513 IonicContact NE-OE1 3.13Å; R509-E513 PolarHBondContact NE-OE1 3.35Å; R509-E513 IonicContact NH2-OE1 2.96Å; R509-E513 WeakPolarHBondContact O-CB 3.47Å; R509-E513 VanDerWaalsContact O-CG 3.31Å; R509-E513 WeakPolarHBondContact O-CG 3.21Å; R509-E513 PolarHBondContact O-N 3.05Å; K510-E513 PolarHBondContact O-N 3.01Å; E513-T516 PolarHBondContact O-N 2.88Å; E513-Q517 VanDerWaalsContact O-CG 3.29Å; E513-Q517 WeakPolarHBondContact O-CG 3.42Å; E513-Q517 PolarHBondContact O-N 3.47Å
514	A	87.9	Confident	89.3	Confident	57 Å²	57	79.2 Å²	79.2	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-44.4	176.3	0	0	0	0	0	112.6	K510 H511 T516 Q517 A518	K510-A514 WeakPolarHBondContact O-CB 3.27Å; K510-A514 PolarHBondContact O-N 3.45Å; H511-A514 PolarHBondContact O-N 3.4Å; A514-T516 VanDerWaalsContact C-N 3.34Å; A514-T516 PolarHBondContact O-N 3.42Å; A514-Q517 PolarHBondContact O-N 3.36Å; A514-A518 PolarHBondContact O-N 3.24Å; A514-A518 VanDerWaalsContact O-N 3.13Å
515	F	87.9	Confident	88.9	Confident	150 Å²	150	83.4 Å²	83.4	66%	0.658	44%	0.443	S	S	*	.	H	α-helix	trans	-60.2	-44.6	175.5	174.8	-95.4	0	0	0	111.7	H511 T512 A518 S519	H511-F515 WeakPolarHBondContact O-CB 3.35Å; H511-F515 PolarHBondContact O-N 2.88Å; T512-F515 PolarHBondContact O-N 3.46Å; F515-A518 CarbonylContact O-C 3.59Å; F515-A518 PolarHBondContact O-N 3.46Å; F515-S519 PolarHBondContact O-N 3.25Å
516	T	89.3	Confident	88.5	Confident	15 Å²	15	92.4 Å²	92.4	9%	0.092	48%	0.482	C	S	.	.	H	α-helix	trans	-66.2	-41.3	-179	-57.6	0	0	0	0	111.2	T512 E513 A514 A518 S519 P522 G527	T512-T516 VanDerWaalsContact O-CB 3.29Å; T512-T516 WeakPolarHBondContact O-CB 3.32Å; T512-T516 PolarHBondContact O-N 2.87Å; T512-T516 PolarHBondContact O-OG1 2.94Å; E513-T516 PolarHBondContact O-N 2.88Å; A514-T516 VanDerWaalsContact C-N 3.34Å; A514-T516 PolarHBondContact O-N 3.42Å; T516-A518 VanDerWaalsContact C-N 3.27Å; T516-A518 PolarHBondContact O-N 3.26Å; T516-S519 VanDerWaalsContact O-CB 3.25Å; T516-S519 WeakPolarHBondContact O-CB 3.34Å; T516-S519 PolarHBondContact O-N 3.46Å; T516-S519 VanDerWaalsContact O-N 3.12Å; T516-P522 VanDerWaalsContact CG2-O 3.23Å; T516-P522 WeakPolarHBondContact CG2-O 3.25Å; T516-P522 WeakPolarHBondContact O-CA 3.19Å; T516-P522 WeakPolarHBondContact O-CB 3.29Å; T516-G527 VanDerWaalsContact OG1-CA 3.25Å; T516-G527 WeakPolarHBondContact OG1-CA 3.29Å; T516-G527 PolarHBondContact OG1-O 3.49Å
517	Q	88.1	Confident	88.1	Confident	156 Å²	156	92.1 Å²	92.1	73%	0.729	48%	0.484	S	S	*	.	H	α-helix	trans	-63.3	-31.7	174.9	-73.4	173.5	11.7	0	0	113.2	E513 A514 S519	E513-Q517 VanDerWaalsContact O-CG 3.29Å; E513-Q517 WeakPolarHBondContact O-CG 3.42Å; E513-Q517 PolarHBondContact O-N 3.47Å; A514-Q517 PolarHBondContact O-N 3.36Å; Q517-S519 VanDerWaalsContact C-N 3.35Å
518	A	89.6	Confident	87.8	Confident	91 Å²	91	92.3 Å²	92.3	75%	0.752	49%	0.492	S	S	*	.	H	α-helix	trans	-84.7	-8.5	176.1	0	0	0	0	0	113.7	A514 F515 T516	A514-A518 PolarHBondContact O-N 3.24Å; A514-A518 VanDerWaalsContact O-N 3.13Å; F515-A518 CarbonylContact O-C 3.59Å; F515-A518 PolarHBondContact O-N 3.46Å; T516-A518 VanDerWaalsContact C-N 3.27Å; T516-A518 PolarHBondContact O-N 3.26Å
519	S	90.6	Very high	87.6	Confident	43 Å²	43	90.3 Å²	90.3	30%	0.301	49%	0.487	S	S	.	.	S	Bend	trans	-75	155.9	-179.3	-177.7	0	0	0	0	111.8	F515 T516 Q517 D521	F515-S519 PolarHBondContact O-N 3.25Å; T516-S519 VanDerWaalsContact O-CB 3.25Å; T516-S519 WeakPolarHBondContact O-CB 3.34Å; T516-S519 PolarHBondContact O-N 3.46Å; T516-S519 VanDerWaalsContact O-N 3.12Å; Q517-S519 VanDerWaalsContact C-N 3.35Å; S519-D521 PolarHBondContact O-N 3.01Å; S519-D521 PolarHBondContact OG-N 3.34Å
520	T	92.9	Very high	87.3	Confident	151 Å²	151	88.2 Å²	88.2	93%	0.926	49%	0.489	S	S	*	.	S	Bend	trans	-71	-12.5	169.1	52.4	0	0	0	0	113.1
521	D	90.1	Very high	87.2	Confident	77 Å²	77	83 Å²	83	41%	0.412	47%	0.469	S	S	.	.			trans	-127	78.2	173.5	-178.6	17.2	0	0	0	110.7	S519 F523 S524	S519-D521 PolarHBondContact O-N 3.01Å; S519-D521 PolarHBondContact OG-N 3.34Å; D521-F523 PolarHBondContact O-N 2.94Å; D521-S524 WeakPolarHBondContact O-CB 3.43Å; D521-S524 PolarHBondContact O-N 3.11Å; D521-S524 PolarHBondContact OD1-N 3.36Å; D521-S524 WeakPolarHBondContact OD2-CB 3.35Å; D521-S524 PolarHBondContact OD2-OG 3.44Å
522	P	88.1	Confident	87.3	Confident	59 Å²	59	86.3 Å²	86.3	38%	0.383	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.4	-176.6	29.2	-35.7	0	0	0	114	T516	T516-P522 VanDerWaalsContact CG2-O 3.23Å; T516-P522 WeakPolarHBondContact CG2-O 3.25Å; T516-P522 WeakPolarHBondContact O-CA 3.19Å; T516-P522 WeakPolarHBondContact O-CB 3.29Å
523	F	88.1	Confident	87.3	Confident	189 Å²	189	90.3 Å²	90.3	83%	0.829	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	8.1	176.8	-57	-70.9	0	0	0	112.4	D521	D521-F523 PolarHBondContact O-N 2.94Å
524	S	88.4	Confident	87.3	Confident	31 Å²	31	91.5 Å²	91.5	22%	0.217	50%	0.498	C	S	.	.			trans	-59.6	127.1	-179.8	-153.4	0	0	0	0	111.1	D521 F526 G527	D521-S524 WeakPolarHBondContact O-CB 3.43Å; D521-S524 PolarHBondContact O-N 3.11Å; D521-S524 PolarHBondContact OD1-N 3.36Å; D521-S524 WeakPolarHBondContact OD2-CB 3.35Å; D521-S524 PolarHBondContact OD2-OG 3.44Å; S524-F526 PolarHBondContact O-N 2.93Å; S524-F526 VanDerWaalsContact O-N 3.14Å; S524-G527 PolarHBondContact O-N 3.34Å
525	P	84.6	Confident	87.4	Confident	104 Å²	104	96.1 Å²	96.1	68%	0.675	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.1	175.6	27.5	-34.7	0	0	0	112.4	G527	P525-G527 VanDerWaalsContact C-N 3.28Å
526	F	84.8	Confident	87.5	Confident	195 Å²	195	94.8 Å²	94.8	86%	0.855	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-78.6	-10.3	175.7	-60.6	-74	0	0	0	113.4	S524 S528	S524-F526 PolarHBondContact O-N 2.93Å; S524-F526 VanDerWaalsContact O-N 3.14Å; F526-S528 VanDerWaalsContact C-N 3.27Å; F526-S528 PolarHBondContact O-N 3.33Å
527	G	83.3	Confident	87.4	Confident	16 Å²	16	98.7 Å²	98.7	17%	0.165	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-87	17.8	170.4	0	0	0	0	0	113.9	T512 T516 S524 P525	T512-G527 VanDerWaalsContact CG2-O 3.27Å; T512-G527 WeakPolarHBondContact CG2-O 3.22Å; T516-G527 VanDerWaalsContact OG1-CA 3.25Å; T516-G527 WeakPolarHBondContact OG1-CA 3.29Å; T516-G527 PolarHBondContact OG1-O 3.49Å; S524-G527 PolarHBondContact O-N 3.34Å; P525-G527 VanDerWaalsContact C-N 3.28Å
528	S	82.9	Confident	87.6	Confident	65 Å²	65	93.5 Å²	93.5	46%	0.455	51%	0.505	S	S	.	.			trans	-110.9	126.3	-177.8	-173.8	0	0	0	0	112.6	F526 S530	F526-S528 VanDerWaalsContact C-N 3.27Å; F526-S528 PolarHBondContact O-N 3.33Å; S528-S530 VanDerWaalsContact C-N 3.29Å; S528-S530 PolarHBondContact O-N 3.46Å; S528-S530 WeakPolarHBondContact OG-CB 3.25Å; S528-S530 PolarHBondContact OG-N 3.01Å; S528-S530 PolarHBondContact OG-OG 2.87Å
529	S	84.6	Confident	87.8	Confident	33 Å²	33	93.3 Å²	93.3	23%	0.231	49%	0.492	C	S	.	.			trans	-93.2	23.5	171	-60.1	0	0	0	0	113.1	T512 G531	T512-S529 VanDerWaalsContact CB-OG 3.23Å; T512-S529 WeakPolarHBondContact CB-OG 3.26Å; T512-S529 WeakPolarHBondContact CG2-OG 3.38Å; T512-S529 PolarHBondContact OG1-OG 3.2Å; S529-G531 PolarHBondContact O-N 3.48Å
530	S	82.3	Confident	87.9	Confident	65 Å²	65	94.5 Å²	94.5	46%	0.455	49%	0.49	S	S	.	.	S	Bend	trans	-65.2	-15.6	178.5	57.3	0	0	0	0	113.8	S528 W532	S528-S530 VanDerWaalsContact C-N 3.29Å; S528-S530 PolarHBondContact O-N 3.46Å; S528-S530 WeakPolarHBondContact OG-CB 3.25Å; S528-S530 PolarHBondContact OG-N 3.01Å; S528-S530 PolarHBondContact OG-OG 2.87Å; S530-W532 VanDerWaalsContact C-N 3.25Å; S530-W532 PolarHBondContact O-N 2.92Å; S530-W532 PolarHBondContact OG-N 2.75Å
531	G	86.3	Confident	87.9	Confident	12 Å²	12	91.4 Å²	91.4	12%	0.124	47%	0.468	C	S	.	.			trans	70.9	20.5	-174.4	0	0	0	0	0	113	S529 R533 F538	S529-G531 PolarHBondContact O-N 3.48Å; G531-R533 PolarHBondContact O-N 2.81Å; G531-F538 WeakPolarHBondContact O-CB 3.49Å
532	W	87.4	Confident	88.1	Confident	188 Å²	188	88.5 Å²	88.5	71%	0.712	45%	0.452	S	S	*	.			trans	-57.7	136.2	-178.1	-173	90.7	0	0	0	112.4	S530 N534	S530-W532 VanDerWaalsContact C-N 3.25Å; S530-W532 PolarHBondContact O-N 2.92Å; S530-W532 PolarHBondContact OG-N 2.75Å; W532-N534 HydrophobicContact CH2-CB 3.85Å; W532-N534 HydrophobicContact CZ2-CB 4.46Å; W532-N534 HydrophobicContact CZ3-CB 4.32Å
533	R	87.9	Confident	88.4	Confident	116 Å²	116	91.6 Å²	91.6	44%	0.438	46%	0.456	S	S	.	.			trans	-140.2	145.3	173.5	-64.7	-69.1	-179.8	-94.1	2.6	108.6	G531 N535 I536 F538	G531-R533 PolarHBondContact O-N 2.81Å; R533-N535 PolarHBondContact O-N 3.2Å; R533-I536 HydrophobicContact CB-CD1 4.32Å; R533-I536 HydrophobicContact CB-CG1 3.62Å; R533-I536 WeakPolarHBondContact CB-O 3.41Å; R533-I536 HydrophobicContact CG-CG1 4.34Å; R533-F538 HydrophobicContact CG-CB 3.85Å; R533-F538 HydrophobicContact CG-CD2 4.25Å; R533-F538 HydrophobicContact CG-CG 4.35Å; R533-F538 VanDerWaalsContact NH2-CE2 3.31Å
534	N	88.8	Confident	88.6	Confident	108 Å²	108	82.7 Å²	82.7	58%	0.578	42%	0.417	S	S	*	.	S	Bend	trans	-71.7	125.7	176.8	-165.4	5.1	0	0	0	110	W532 I536	W532-N534 HydrophobicContact CH2-CB 3.85Å; W532-N534 HydrophobicContact CZ2-CB 4.46Å; W532-N534 HydrophobicContact CZ3-CB 4.32Å; N534-I536 PolarHBondContact O-N 3.16Å
535	N	89.1	Confident	88.7	Confident	154 Å²	154	82.6 Å²	82.6	82%	0.824	41%	0.413	S	S	*	.	S	Bend	trans	59.5	3.9	175	-59.4	-37.6	0	0	0	117.9	R533	R533-N535 PolarHBondContact O-N 3.2Å
536	I	89.9	Confident	88.9	Confident	122 Å²	122	79.1 Å²	79.1	63%	0.626	39%	0.388	S	S	*	.	S	Bend	trans	-136.3	154.6	177.9	62.3	172.4	0	0	0	111	R533 N534	R533-I536 HydrophobicContact CB-CD1 4.32Å; R533-I536 HydrophobicContact CB-CG1 3.62Å; R533-I536 WeakPolarHBondContact CB-O 3.41Å; R533-I536 HydrophobicContact CG-CG1 4.34Å; N534-I536 PolarHBondContact O-N 3.16Å
537	Q	88.6	Confident	88.8	Confident	97 Å²	97	73 Å²	73	45%	0.453	38%	0.381	S	S	.	.			trans	-76.8	140.7	166.1	-70.3	-179.8	-24.7	0	0	109.8	N539 T556	Q537-N539 PolarHBondContact O-N 2.87Å; Q537-T556 HydrophobicContact CB-CG2 3.97Å; Q537-T556 VanDerWaalsContact OE1-CG2 3.29Å
538	F	92.5	Very high	88.6	Confident	47 Å²	47	80.1 Å²	80.1	21%	0.206	42%	0.415	C	S	.	.			trans	-77.6	126.2	173.8	-179	-132.7	0	0	0	110.4	G531 R533 R540 T556 Y557	G531-F538 WeakPolarHBondContact O-CB 3.49Å; R533-F538 HydrophobicContact CG-CB 3.85Å; R533-F538 HydrophobicContact CG-CD2 4.25Å; R533-F538 HydrophobicContact CG-CG 4.35Å; R533-F538 VanDerWaalsContact NH2-CE2 3.31Å; F538-R540 HydrophobicContact CE1-CB 4Å; F538-R540 HydrophobicContact CZ-CB 3.98Å; F538-R540 HydrophobicContact CZ-CG 4.44Å; F538-T556 WeakPolarHBondContact O-CA 3.47Å; F538-Y557 HydrophobicContact CB-CD2 4.43Å; F538-Y557 AromaticContact CD1-CD2 3.64Å; F538-Y557 HydrophobicContact CD1-CD2 3.64Å; F538-Y557 AromaticContact CD1-CE2 3.61Å; F538-Y557 HydrophobicContact CD1-CE2 3.61Å; F538-Y557 HydrophobicContact CD1-CG 4.16Å; F538-Y557 HydrophobicContact CE1-CD2 4.35Å; F538-Y557 AromaticContact CE1-CE2 3.86Å; F538-Y557 HydrophobicContact CE1-CE2 3.86Å; F538-Y557 HydrophobicContact CG-CD2 4.38Å; F538-Y557 PolarHBondContact O-N 3.5Å
539	N	92.5	Very high	88.8	Confident	87 Å²	87	84.6 Å²	84.6	47%	0.465	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.3	172.2	-66.2	-63.4	0	0	0	108.6	Q537 V555 T556	Q537-N539 PolarHBondContact O-N 2.87Å; N539-V555 CarbonylContact C-O 3.49Å; N539-V555 WeakPolarHBondContact CA-O 3.46Å; N539-T556 VanDerWaalsContact OD1-CB 3.3Å; N539-T556 WeakPolarHBondContact OD1-CB 3.44Å; N539-T556 WeakPolarHBondContact OD1-CG2 3.31Å; N539-T556 PolarHBondContact OD1-OG1 3.23Å
540	R	93.3	Very high	89.1	Confident	69 Å²	69	89.4 Å²	89.4	26%	0.26	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.8	176.9	-177.3	-178.7	179.7	175.5	0.2	109.2	E508 F538 M542 V554 V555 Y557	E508-R540 IonicContact OE1-NH1 2.81Å; E508-R540 PolarHBondContact OE1-NH1 3.11Å; E508-R540 IonicContact OE2-CZ 2.99Å; E508-R540 VanDerWaalsContact OE2-CZ 3.26Å; E508-R540 IonicContact OE2-NH1 3.65Å; E508-R540 PolarHBondContact OE2-NH1 3.15Å; E508-R540 IonicContact OE2-NH2 3.84Å; E508-R540 PolarHBondContact OE2-NH2 3Å; F538-R540 HydrophobicContact CE1-CB 4Å; F538-R540 HydrophobicContact CZ-CB 3.98Å; F538-R540 HydrophobicContact CZ-CG 4.44Å; R540-M542 HydrophobicContact CG-CG 4.14Å; R540-V554 CarbonylContact O-C 3.58Å; R540-V554 WeakPolarHBondContact O-CA 3.27Å; R540-V555 PolarHBondContact N-O 2.8Å; R540-V555 PolarHBondContact O-N 3.01Å; R540-Y557 HydrophobicContact CB-CE2 4.15Å
541	N	93.6	Very high	89.7	Confident	86 Å²	86	88 Å²	88	46%	0.46	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.8	167.7	-171.5	-0.6	0	0	0	108.9	D552	N541-D552 PolarHBondContact ND2-OD2 3.35Å; N541-D552 WeakPolarHBondContact OD1-CB 3.22Å
542	M	93.8	Very high	90.1	Very high	16 Å²	16	90.1 Å²	90.1	8%	0.079	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.6	172.8	-65.1	-175.3	71	0	0	108.7	A501 L504 L505 R540 V553 V555	A501-M542 HydrophobicContact CB-SD 4.31Å; L504-M542 HydrophobicContact CB-CE 3.77Å; L504-M542 HydrophobicContact CD1-CE 3.89Å; L505-M542 HydrophobicContact CD1-SD 4.21Å; L505-M542 HydrophobicContact CD2-CE 4.33Å; L505-M542 HydrophobicContact CD2-SD 3.68Å; L505-M542 HydrophobicContact CG-CE 4.35Å; L505-M542 HydrophobicContact CG-SD 3.81Å; R540-M542 HydrophobicContact CG-CG 4.14Å; M542-V553 HydrophobicContact CB-CB 4.46Å; M542-V553 PolarHBondContact N-O 3.27Å; M542-V553 PolarHBondContact O-N 3.42Å; M542-V555 HydrophobicContact CG-CG2 4.19Å; M542-V555 HydrophobicContact SD-CG2 3.87Å
543	R	93.7	Very high	90.6	Very high	124 Å²	124	81.2 Å²	81.2	47%	0.468	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.4	175.4	-169.9	166.2	-74.8	162.3	-2.5	109.6	K550 D552 P621	R543-K550 HydrophobicContact CG-CB 4.36Å; R543-D552 WeakPolarHBondContact CG-OD1 3.25Å; R543-D552 IonicContact CZ-OD1 3.48Å; R543-D552 IonicContact CZ-OD2 3.9Å; R543-D552 IonicContact NE-OD1 2.75Å; R543-D552 PolarHBondContact NE-OD1 3.43Å; R543-D552 IonicContact NE-OD2 3.86Å; R543-D552 IonicContact NH2-OD1 3.33Å; R543-D552 PolarHBondContact NH2-OD1 2.85Å; R543-D552 IonicContact NH2-OD2 3.02Å; R543-D552 PolarHBondContact NH2-OD2 2.9Å; R543-P621 HydrophobicContact CB-CG 4.22Å; R543-P621 HydrophobicContact CG-CG 3.74Å; R543-P621 WeakPolarHBondContact O-CD 3.43Å
544	L	93.5	Very high	91	Very high	1 Å²	1	78 Å²	78	1%	0.005	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	151.8	176.2	-57.6	179.1	0	0	0	109.5	L497 L504 K550 V551 V553 V618 S619 V620	L497-L544 HydrophobicContact CD2-CD1 3.99Å; L504-L544 HydrophobicContact CD1-CD2 3.93Å; L544-K550 CarbonylContact O-C 3.3Å; L544-K550 WeakPolarHBondContact O-CA 3.35Å; L544-V551 PolarHBondContact N-O 2.99Å; L544-V551 PolarHBondContact O-N 2.74Å; L544-V553 HydrophobicContact CD1-CG2 3.58Å; L544-V553 HydrophobicContact CG-CG2 4.16Å; L544-V618 HydrophobicContact CB-CG1 3.7Å; L544-V618 HydrophobicContact CD1-CG1 4Å; L544-V618 HydrophobicContact CD2-CG1 4.16Å; L544-V618 HydrophobicContact CG-CG1 4.15Å; L544-S619 CarbonylContact C-O 3.38Å; L544-S619 WeakPolarHBondContact CA-O 3.39Å; L544-V620 HydrophobicContact CD2-CG2 4.44Å
545	Q	90.4	Very high	91.4	Very high	30 Å²	30	72.8 Å²	72.8	14%	0.14	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.7	-178.9	-175.6	75.8	50.5	0	0	108.8	G547 D548 K549 S619 P621	Q545-G547 WeakPolarHBondContact CG-O 3.19Å; Q545-G547 PolarHBondContact NE2-O 2.8Å; Q545-D548 PolarHBondContact NE2-O 2.96Å; Q545-K549 WeakPolarHBondContact CA-O 3.24Å; Q545-K549 PolarHBondContact NE2-O 2.77Å; Q545-S619 WeakPolarHBondContact CB-OG 3.24Å; Q545-S619 PolarHBondContact N-O 2.6Å; Q545-S619 PolarHBondContact O-N 3.06Å; Q545-S619 PolarHBondContact O-OG 2.95Å; Q545-P621 HydrophobicContact CB-CG 4.24Å
546	L	87.4	Confident	91.7	Very high	30 Å²	30	65.7 Å²	65.7	16%	0.157	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	94	-178.6	-66.4	179.8	0	0	0	108.8	P492 L497 D548 K549 V551 V618	P492-L546 HydrophobicContact CG-CD1 4.48Å; P492-L546 HydrophobicContact CG-CD2 3.78Å; L497-L546 HydrophobicContact CD1-CD1 4.42Å; L497-L546 HydrophobicContact CD2-CD1 4Å; L497-L546 HydrophobicContact CD2-CD2 4.05Å; L497-L546 HydrophobicContact CD2-CG 4.28Å; L546-D548 PolarHBondContact O-N 3.13Å; L546-D548 VanDerWaalsContact O-N 3.13Å; L546-K549 PolarHBondContact N-O 3.19Å; L546-K549 PolarHBondContact O-N 2.89Å; L546-V551 HydrophobicContact CD1-CG2 3.83Å; L546-V551 HydrophobicContact CG-CG2 4.46Å; L546-V618 HydrophobicContact CD2-CB 4.25Å; L546-V618 HydrophobicContact CD2-CG1 3.98Å; L546-V618 HydrophobicContact CD2-CG2 3.77Å
547	G	82.8	Confident	92	Very high	68 Å²	68	61.1 Å²	61.1	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-119.5	-167	0	0	0	0	0	109.3	Q545	Q545-G547 WeakPolarHBondContact CG-O 3.19Å; Q545-G547 PolarHBondContact NE2-O 2.8Å
548	D	79.8	Confident	92.1	Very high	164 Å²	164	58.3 Å²	58.3	88%	0.877	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-11	177.3	-59.4	-41.4	0	0	0	114.4	Q545 L546	Q545-D548 PolarHBondContact NE2-O 2.96Å; L546-D548 PolarHBondContact O-N 3.13Å; L546-D548 VanDerWaalsContact O-N 3.13Å
549	K	87.4	Confident	91.8	Very high	159 Å²	159	62.4 Å²	62.4	69%	0.691	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.5	-175.3	-63.7	-175.5	-178	177.4	0	111.7	Q545 L546	Q545-K549 WeakPolarHBondContact CA-O 3.24Å; Q545-K549 PolarHBondContact NE2-O 2.77Å; L546-K549 PolarHBondContact N-O 3.19Å; L546-K549 PolarHBondContact O-N 2.89Å
550	K	91.4	Very high	91.5	Very high	135 Å²	135	64.2 Å²	64.2	59%	0.587	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.9	171.7	-71.4	168.6	-177	173.4	0	109.8	R543 L544	R543-K550 HydrophobicContact CG-CB 4.36Å; L544-K550 CarbonylContact O-C 3.3Å; L544-K550 WeakPolarHBondContact O-CA 3.35Å
551	V	93.7	Very high	91.1	Very high	34 Å²	34	63.1 Å²	63.1	21%	0.206	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.7	177.3	-174.7	0	0	0	0	109.1	L497 L544 L546 V567	L497-V551 HydrophobicContact CD1-CG1 3.95Å; L544-V551 PolarHBondContact N-O 2.99Å; L544-V551 PolarHBondContact O-N 2.74Å; L546-V551 HydrophobicContact CD1-CG2 3.83Å; L546-V551 HydrophobicContact CG-CG2 4.46Å; V551-V567 HydrophobicContact CG1-CG1 3.82Å
552	D	95.2	Very high	91.1	Very high	58 Å²	58	59.7 Å²	59.7	31%	0.31	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.3	175.7	-77.5	-11.4	0	0	0	109.6	N541 R543	N541-D552 PolarHBondContact ND2-OD2 3.35Å; N541-D552 WeakPolarHBondContact OD1-CB 3.22Å; R543-D552 WeakPolarHBondContact CG-OD1 3.25Å; R543-D552 IonicContact CZ-OD1 3.48Å; R543-D552 IonicContact CZ-OD2 3.9Å; R543-D552 IonicContact NE-OD1 2.75Å; R543-D552 PolarHBondContact NE-OD1 3.43Å; R543-D552 IonicContact NE-OD2 3.86Å; R543-D552 IonicContact NH2-OD1 3.33Å; R543-D552 PolarHBondContact NH2-OD1 2.85Å; R543-D552 IonicContact NH2-OD2 3.02Å; R543-D552 PolarHBondContact NH2-OD2 2.9Å
553	V	96.8	Very high	91.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.9	174	-174.7	0	0	0	0	108	A501 M542 L544 V555 M565 Q566 V567	A501-V553 HydrophobicContact CB-CG1 4.16Å; M542-V553 HydrophobicContact CB-CB 4.46Å; M542-V553 PolarHBondContact N-O 3.27Å; M542-V553 PolarHBondContact O-N 3.42Å; L544-V553 HydrophobicContact CD1-CG2 3.58Å; L544-V553 HydrophobicContact CG-CG2 4.16Å; V553-V555 HydrophobicContact CG1-CG2 4.12Å; V553-V555 PolarHBondContact O-N 3.48Å; V553-M565 HydrophobicContact CG1-CB 4.14Å; V553-M565 HydrophobicContact CG1-SD 4.46Å; V553-Q566 WeakPolarHBondContact CA-O 3.23Å; V553-V567 HydrophobicContact CG1-CG2 4.16Å; V553-V567 HydrophobicContact CG2-CG2 4.12Å
554	V	97.3	Very high	91.4	Very high	48 Å²	48	58.5 Å²	58.5	29%	0.291	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	112.3	176.6	-176.1	0	0	0	0	108.8	R540 M565 Q566	R540-V554 CarbonylContact O-C 3.58Å; R540-V554 WeakPolarHBondContact O-CA 3.27Å; V554-M565 CarbonylContact O-C 3.59Å; V554-M565 WeakPolarHBondContact O-CA 3.42Å; V554-Q566 HydrophobicContact CB-CB 4.26Å; V554-Q566 PolarHBondContact N-O 3.23Å; V554-Q566 PolarHBondContact O-N 3.14Å
555	V	97	Very high	91.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.7	-178.3	-174.1	0	0	0	0	109.8	L505 N539 R540 M542 V553 Y557 Y563 M565	L505-V555 HydrophobicContact CD1-CG1 3.77Å; L505-V555 HydrophobicContact CD1-CG2 4.32Å; N539-V555 CarbonylContact C-O 3.49Å; N539-V555 WeakPolarHBondContact CA-O 3.46Å; R540-V555 PolarHBondContact N-O 2.8Å; R540-V555 PolarHBondContact O-N 3.01Å; M542-V555 HydrophobicContact CG-CG2 4.19Å; M542-V555 HydrophobicContact SD-CG2 3.87Å; V553-V555 HydrophobicContact CG1-CG2 4.12Å; V553-V555 PolarHBondContact O-N 3.48Å; V555-Y557 HydrophobicContact CB-CE2 4.43Å; V555-Y557 HydrophobicContact CG1-CD2 4.16Å; V555-Y557 HydrophobicContact CG1-CE2 3.92Å; V555-Y563 HydrophobicContact CG1-CD1 3.73Å; V555-Y563 HydrophobicContact CG1-CG 4.29Å; V555-M565 HydrophobicContact CG1-CE 4.35Å; V555-M565 HydrophobicContact CG1-CG 4.4Å; V555-M565 HydrophobicContact CG2-CG 4.25Å
556	T	96.3	Very high	91.9	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.3	167	-50.7	0	0	0	0	109.5	Q537 F538 N539 Y563 R564	Q537-T556 HydrophobicContact CB-CG2 3.97Å; Q537-T556 VanDerWaalsContact OE1-CG2 3.29Å; F538-T556 WeakPolarHBondContact O-CA 3.47Å; N539-T556 VanDerWaalsContact OD1-CB 3.3Å; N539-T556 WeakPolarHBondContact OD1-CB 3.44Å; N539-T556 WeakPolarHBondContact OD1-CG2 3.31Å; N539-T556 PolarHBondContact OD1-OG1 3.23Å; T556-Y563 WeakPolarHBondContact O-CA 3.48Å; T556-R564 PolarHBondContact N-O 3.48Å; T556-R564 PolarHBondContact O-N 2.98Å; T556-R564 PolarHBondContact OG1-NH2 2.92Å; T556-R564 VanDerWaalsContact OG1-NH2 3.15Å
557	Y	94.7	Very high	92.3	Very high	25 Å²	25	60.3 Å²	60.3	10%	0.098	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.4	177.1	-70.8	-121.4	0	0	0	109.7	L505 F538 R540 V555 Y563	L505-Y557 WeakPolarHBondContact CD2-OH 3.36Å; F538-Y557 HydrophobicContact CB-CD2 4.43Å; F538-Y557 AromaticContact CD1-CD2 3.64Å; F538-Y557 HydrophobicContact CD1-CD2 3.64Å; F538-Y557 AromaticContact CD1-CE2 3.61Å; F538-Y557 HydrophobicContact CD1-CE2 3.61Å; F538-Y557 HydrophobicContact CD1-CG 4.16Å; F538-Y557 HydrophobicContact CE1-CD2 4.35Å; F538-Y557 AromaticContact CE1-CE2 3.86Å; F538-Y557 HydrophobicContact CE1-CE2 3.86Å; F538-Y557 HydrophobicContact CG-CD2 4.38Å; F538-Y557 PolarHBondContact O-N 3.5Å; R540-Y557 HydrophobicContact CB-CE2 4.15Å; V555-Y557 HydrophobicContact CB-CE2 4.43Å; V555-Y557 HydrophobicContact CG1-CD2 4.16Å; V555-Y557 HydrophobicContact CG1-CE2 3.92Å; Y557-Y563 HydrophobicContact CD1-CD1 4.25Å; Y557-Y563 AromaticContact CD1-CE1 3.64Å; Y557-Y563 HydrophobicContact CD1-CE1 3.64Å; Y557-Y563 HydrophobicContact CE1-CD1 4.49Å; Y557-Y563 AromaticContact CE1-CE1 3.69Å; Y557-Y563 HydrophobicContact CE1-CE1 3.69Å; Y557-Y563 HydrophobicContact CG-CD1 4.26Å; Y557-Y563 HydrophobicContact CG-CE1 4.12Å
558	N	91.4	Very high	92.8	Very high	39 Å²	39	59.6 Å²	59.6	21%	0.209	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-92.3	158.8	177.8	-58.8	-41	0	0	0	111.2	D560 G561 S562	N558-D560 VanDerWaalsContact C-N 3.27Å; N558-D560 VanDerWaalsContact CB-OD1 3.26Å; N558-D560 WeakPolarHBondContact CB-OD1 3.49Å; N558-D560 PolarHBondContact O-N 3.03Å; N558-G561 PolarHBondContact O-N 2.8Å; N558-S562 VanDerWaalsContact CB-O 3.29Å; N558-S562 WeakPolarHBondContact CB-O 3.33Å; N558-S562 WeakPolarHBondContact CB-OG 3.44Å; N558-S562 PolarHBondContact N-O 3.29Å; N558-S562 PolarHBondContact ND2-OG 2.93Å
559	S	85	Confident	93.4	Very high	133 Å²	133	60.6 Å²	60.6	93%	0.93	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.5	-177.4	51	0	0	0	0	114.5	G561	S559-G561 VanDerWaalsContact C-N 3.29Å
560	D	87.5	Confident	93.8	Very high	124 Å²	124	54.9 Å²	54.9	66%	0.663	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	3.9	177.1	65.5	-8.2	0	0	0	113.3	N558 S562	N558-D560 VanDerWaalsContact C-N 3.27Å; N558-D560 VanDerWaalsContact CB-OD1 3.26Å; N558-D560 WeakPolarHBondContact CB-OD1 3.49Å; N558-D560 PolarHBondContact O-N 3.03Å; D560-S562 VanDerWaalsContact C-N 3.28Å; D560-S562 VanDerWaalsContact CG-OG 3.29Å; D560-S562 WeakPolarHBondContact OD1-CB 3.28Å; D560-S562 PolarHBondContact OD1-N 2.71Å; D560-S562 PolarHBondContact OD1-OG 3.47Å; D560-S562 PolarHBondContact OD2-OG 3.27Å
561	G	85.4	Confident	94.1	Very high	47 Å²	47	51.7 Å²	51.7	49%	0.485	30%	0.304	S	S	.	.	S	Bend	trans	82.2	2.3	-176	0	0	0	0	0	114.3	N558 S559	N558-G561 PolarHBondContact O-N 2.8Å; S559-G561 VanDerWaalsContact C-N 3.29Å
562	S	93.3	Very high	94.3	Very high	13 Å²	13	51.3 Å²	51.3	9%	0.091	30%	0.299	C	S	.	.			trans	-81.3	166.4	169	74.2	0	0	0	0	112.3	N558 D560	N558-S562 VanDerWaalsContact CB-O 3.29Å; N558-S562 WeakPolarHBondContact CB-O 3.33Å; N558-S562 WeakPolarHBondContact CB-OG 3.44Å; N558-S562 PolarHBondContact N-O 3.29Å; N558-S562 PolarHBondContact ND2-OG 2.93Å; D560-S562 VanDerWaalsContact C-N 3.28Å; D560-S562 VanDerWaalsContact CG-OG 3.29Å; D560-S562 WeakPolarHBondContact OD1-CB 3.28Å; D560-S562 PolarHBondContact OD1-N 2.71Å; D560-S562 PolarHBondContact OD1-OG 3.47Å; D560-S562 PolarHBondContact OD2-OG 3.27Å
563	Y	95.9	Very high	94.4	Very high	12 Å²	12	54 Å²	54	5%	0.047	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.7	176.8	-54.2	-83	0	0	0	109.8	L502 L505 V555 T556 Y557 M565 V574	L502-Y563 HydrophobicContact CD1-CD2 3.7Å; L502-Y563 HydrophobicContact CD1-CE2 3.6Å; L505-Y563 HydrophobicContact CD1-CD1 4.16Å; L505-Y563 HydrophobicContact CD1-CE1 4.08Å; V555-Y563 HydrophobicContact CG1-CD1 3.73Å; V555-Y563 HydrophobicContact CG1-CG 4.29Å; T556-Y563 WeakPolarHBondContact O-CA 3.48Å; Y557-Y563 HydrophobicContact CD1-CD1 4.25Å; Y557-Y563 AromaticContact CD1-CE1 3.64Å; Y557-Y563 HydrophobicContact CD1-CE1 3.64Å; Y557-Y563 HydrophobicContact CE1-CD1 4.49Å; Y557-Y563 AromaticContact CE1-CE1 3.69Å; Y557-Y563 HydrophobicContact CE1-CE1 3.69Å; Y557-Y563 HydrophobicContact CG-CD1 4.26Å; Y557-Y563 HydrophobicContact CG-CE1 4.12Å; Y563-M565 HydrophobicContact CD2-CE 4.46Å; Y563-M565 HydrophobicContact CG-CE 4.19Å; Y563-V574 PolarHBondContact N-O 3.01Å; Y563-V574 PolarHBondContact O-N 2.78Å
564	R	97	Very high	94.4	Very high	103 Å²	103	54.1 Å²	54.1	39%	0.389	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.4	161.4	-177.6	-173.9	69.7	-172.5	-1.8	107.7	T556 V571 Y572	T556-R564 PolarHBondContact N-O 3.48Å; T556-R564 PolarHBondContact O-N 2.98Å; T556-R564 PolarHBondContact OG1-NH2 2.92Å; T556-R564 VanDerWaalsContact OG1-NH2 3.15Å; R564-V571 HydrophobicContact CG-CG1 3.47Å; R564-V571 VanDerWaalsContact CG-CG1 3.47Å; R564-Y572 CarbonylContact C-O 3.52Å; R564-Y572 WeakPolarHBondContact CA-O 3.46Å
565	M	98	Very high	94.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.8	-177.8	-61.8	-172	-179.5	0	0	109.9	C498 A501 L502 L505 V553 V554 V555 Y563 V571 Y572 V574	C498-M565 HydrophobicContact CB-SD 3.79Å; A501-M565 HydrophobicContact CB-CE 4.32Å; A501-M565 HydrophobicContact CB-SD 4.04Å; L502-M565 HydrophobicContact CB-CE 4.01Å; L502-M565 HydrophobicContact CD1-CE 4.42Å; L505-M565 HydrophobicContact CD1-CE 3.84Å; V553-M565 HydrophobicContact CG1-CB 4.14Å; V553-M565 HydrophobicContact CG1-SD 4.46Å; V554-M565 CarbonylContact O-C 3.59Å; V554-M565 WeakPolarHBondContact O-CA 3.42Å; V555-M565 HydrophobicContact CG1-CE 4.35Å; V555-M565 HydrophobicContact CG1-CG 4.4Å; V555-M565 HydrophobicContact CG2-CG 4.25Å; Y563-M565 HydrophobicContact CD2-CE 4.46Å; Y563-M565 HydrophobicContact CG-CE 4.19Å; M565-V571 CarbonylContact O-C 3.58Å; M565-V571 WeakPolarHBondContact O-CA 3.1Å; M565-Y572 PolarHBondContact N-O 3.04Å; M565-Y572 WeakPolarHBondContact O-CD2 3.37Å; M565-Y572 PolarHBondContact O-N 2.7Å; M565-V574 HydrophobicContact CB-CG2 4.14Å; M565-V574 HydrophobicContact CE-CB 4.12Å; M565-V574 HydrophobicContact CE-CG1 3.83Å; M565-V574 HydrophobicContact CE-CG2 4.5Å; M565-V574 HydrophobicContact CG-CB 4.24Å; M565-V574 HydrophobicContact CG-CG2 3.88Å; M565-V574 HydrophobicContact SD-CB 4.1Å; M565-V574 HydrophobicContact SD-CG1 4.07Å; M565-V574 HydrophobicContact SD-CG2 3.82Å
566	Q	97.5	Very high	94.3	Very high	81 Å²	81	56.2 Å²	56.2	38%	0.379	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125	174.6	-179	-179.1	-25	0	0	110	V553 V554 G568 A570 V571	V553-Q566 WeakPolarHBondContact CA-O 3.23Å; V554-Q566 HydrophobicContact CB-CB 4.26Å; V554-Q566 PolarHBondContact N-O 3.23Å; V554-Q566 PolarHBondContact O-N 3.14Å; Q566-G568 WeakPolarHBondContact CG-O 3.47Å; Q566-G568 PolarHBondContact NE2-O 3.11Å; Q566-A570 CarbonylContact C-O 3.55Å; Q566-A570 VanDerWaalsContact CA-O 3.3Å; Q566-A570 WeakPolarHBondContact CA-O 3.45Å; Q566-V571 HydrophobicContact CB-CG2 4.42Å; Q566-V571 HydrophobicContact CG-CG2 4.24Å
567	V	95.7	Very high	94.2	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.115	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	107.9	175.7	-172.9	0	0	0	0	107.9	L497 V551 V553 Q569 A570 Y572	L497-V567 HydrophobicContact CB-CG2 4.49Å; L497-V567 HydrophobicContact CD1-CG1 3.77Å; V551-V567 HydrophobicContact CG1-CG1 3.82Å; V553-V567 HydrophobicContact CG1-CG2 4.16Å; V553-V567 HydrophobicContact CG2-CG2 4.12Å; V567-Q569 PolarHBondContact O-N 3.34Å; V567-A570 PolarHBondContact N-O 2.93Å; V567-A570 PolarHBondContact O-N 3.45Å; V567-A570 VanDerWaalsContact O-N 3.1Å; V567-Y572 HydrophobicContact CB-CE2 4.01Å; V567-Y572 HydrophobicContact CG2-CD2 4.26Å; V567-Y572 HydrophobicContact CG2-CE2 4.02Å
568	G	92.1	Very high	94.2	Very high	53 Å²	53	59.3 Å²	59.3	55%	0.546	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-119	-169.3	0	0	0	0	0	111.4	Q566	Q566-G568 WeakPolarHBondContact CG-O 3.47Å; Q566-G568 PolarHBondContact NE2-O 3.11Å
569	Q	92.4	Very high	94.2	Very high	185 Å²	185	62.2 Å²	62.2	86%	0.864	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.4	176.9	-61.1	-61.2	-28.5	0	0	113.4	V567	V567-Q569 PolarHBondContact O-N 3.34Å
570	A	96.1	Very high	94.3	Very high	39 Å²	39	61.5 Å²	61.5	32%	0.322	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.4	-176.4	0	0	0	0	0	111.1	Q566 V567 Y572	Q566-A570 CarbonylContact C-O 3.55Å; Q566-A570 VanDerWaalsContact CA-O 3.3Å; Q566-A570 WeakPolarHBondContact CA-O 3.45Å; V567-A570 PolarHBondContact N-O 2.93Å; V567-A570 PolarHBondContact O-N 3.45Å; V567-A570 VanDerWaalsContact O-N 3.1Å; A570-Y572 HydrophobicContact CB-CE2 3.57Å; A570-Y572 WeakPolarHBondContact CB-OH 3.37Å
571	V	97.1	Very high	94.2	Very high	67 Å²	67	61 Å²	61	41%	0.406	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.7	179.4	-179.9	0	0	0	0	109.3	R564 M565 Q566	R564-V571 HydrophobicContact CG-CG1 3.47Å; R564-V571 VanDerWaalsContact CG-CG1 3.47Å; M565-V571 CarbonylContact O-C 3.58Å; M565-V571 WeakPolarHBondContact O-CA 3.1Å; Q566-V571 HydrophobicContact CB-CG2 4.42Å; Q566-V571 HydrophobicContact CG-CG2 4.24Å
572	Y	97.9	Very high	93.6	Very high	27 Å²	27	63.1 Å²	63.1	11%	0.106	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139	-175.6	-56.2	-93.7	0	0	0	110.3	G494 E495 C498 R564 M565 V567 A570 V591 N592	G494-Y572 WeakPolarHBondContact CA-OH 3.25Å; E495-Y572 HydrophobicContact CG-CD1 4.43Å; E495-Y572 HydrophobicContact CG-CE1 4.15Å; C498-Y572 VanDerWaalsContact SG-CD2 3.52Å; C498-Y572 VanDerWaalsContact SG-CG 3.57Å; R564-Y572 CarbonylContact C-O 3.52Å; R564-Y572 WeakPolarHBondContact CA-O 3.46Å; M565-Y572 PolarHBondContact N-O 3.04Å; M565-Y572 WeakPolarHBondContact O-CD2 3.37Å; M565-Y572 PolarHBondContact O-N 2.7Å; V567-Y572 HydrophobicContact CB-CE2 4.01Å; V567-Y572 HydrophobicContact CG2-CD2 4.26Å; V567-Y572 HydrophobicContact CG2-CE2 4.02Å; A570-Y572 HydrophobicContact CB-CE2 3.57Å; A570-Y572 WeakPolarHBondContact CB-OH 3.37Å; Y572-V591 HydrophobicContact CD1-CG1 3.84Å; Y572-V591 HydrophobicContact CG-CG1 4.4Å; Y572-N592 WeakPolarHBondContact CA-OD1 3.37Å; Y572-N592 WeakPolarHBondContact CD1-ND2 3.36Å
573	H	97.5	Very high	92.8	Very high	115 Å²	115	65.8 Å²	65.8	53%	0.532	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.4	169.3	-67	-77	0	0	0	109.1	V591 N592	H573-V591 CarbonylContact O-C 3.54Å; H573-V591 WeakPolarHBondContact O-CA 3.33Å; H573-N592 PolarHBondContact N-OD1 2.99Å; H573-N592 PolarHBondContact O-N 3.31Å
574	V	97.9	Very high	92.2	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.006	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.3	-165.6	-176	0	0	0	0	109.8	C498 L502 Y563 M565 S590 V591	C498-V574 HydrophobicContact CB-CG2 3.9Å; L502-V574 HydrophobicContact CB-CG1 4.15Å; L502-V574 HydrophobicContact CD1-CG1 4.29Å; L502-V574 HydrophobicContact CD2-CG1 3.78Å; L502-V574 HydrophobicContact CG-CG1 4.29Å; Y563-V574 PolarHBondContact N-O 3.01Å; Y563-V574 PolarHBondContact O-N 2.78Å; M565-V574 HydrophobicContact CB-CG2 4.14Å; M565-V574 HydrophobicContact CE-CB 4.12Å; M565-V574 HydrophobicContact CE-CG1 3.83Å; M565-V574 HydrophobicContact CE-CG2 4.5Å; M565-V574 HydrophobicContact CG-CB 4.24Å; M565-V574 HydrophobicContact CG-CG2 3.88Å; M565-V574 HydrophobicContact SD-CB 4.1Å; M565-V574 HydrophobicContact SD-CG1 4.07Å; M565-V574 HydrophobicContact SD-CG2 3.82Å; V574-S590 WeakPolarHBondContact CA-O 3.48Å; V574-V591 HydrophobicContact CG1-CG2 4.48Å; V574-V591 HydrophobicContact CG2-CG1 4.38Å; V574-V591 HydrophobicContact CG2-CG2 4.45Å
575	T	96.6	Very high	91.9	Very high	61 Å²	61	62.7 Å²	62.7	37%	0.374	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157	172	51.7	0	0	0	0	109.2	C589 S590	T575-C589 CarbonylContact O-C 3.54Å; T575-C589 WeakPolarHBondContact O-CA 3.1Å; T575-C589 WeakPolarHBondContact O-CB 3.45Å; T575-S590 PolarHBondContact N-O 2.77Å; T575-S590 PolarHBondContact O-N 2.86Å; T575-S590 WeakPolarHBondContact OG1-CB 3.23Å
576	G	95.4	Very high	91.7	Very high	32 Å²	32	64.1 Å²	64.1	33%	0.33	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-179.5	170.8	0	0	0	0	0	114.5	H588	G576-H588 CarbonylContact C-O 3.52Å; G576-H588 WeakPolarHBondContact CA-O 3.35Å
577	A	94.2	Very high	91.6	Very high	44 Å²	44	60.2 Å²	60.2	36%	0.364	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	159.2	176.9	0	0	0	0	0	109.6	H588	A577-H588 PolarHBondContact N-O 2.84Å; A577-H588 PolarHBondContact O-N 2.87Å
578	V	93.8	Very high	91.6	Very high	50 Å²	50	62.1 Å²	62.1	30%	0.303	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.4	169.5	177.4	0	0	0	0	108.1	L506 F586 L587 L600	L506-V578 HydrophobicContact CB-CG2 3.83Å; L506-V578 HydrophobicContact CD1-CG2 3.84Å; V578-F586 WeakPolarHBondContact CA-O 3.35Å; V578-L587 HydrophobicContact CG2-CD1 4.04Å; V578-L600 HydrophobicContact CG2-CD2 3.81Å
579	E	92.4	Very high	91.8	Very high	101 Å²	101	59.9 Å²	59.9	47%	0.472	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.2	175.8	-69.5	-176.8	178.7	0	0	109.9	F586 H588	E579-F586 PolarHBondContact N-O 2.77Å; E579-F586 PolarHBondContact O-N 3.4Å; E579-H588 IonicContact OE2-CD2 2.67Å; E579-H588 IonicContact OE2-CE1 3.06Å; E579-H588 IonicContact OE2-NE2 2.68Å; E579-H588 PolarHBondContact OE2-NE2 2.75Å
580	L	87.6	Confident	92	Very high	117 Å²	117	52 Å²	52	61%	0.613	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.3	173.7	-168.5	77.7	0	0	0	108.5	A584	L580-A584 WeakPolarHBondContact CA-O 3.42Å
581	E	83.5	Confident	92	Very high	113 Å²	113	50.4 Å²	50.4	53%	0.528	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.5	176.3	-172.2	-173.7	-168.9	0	0	109.2	G583 A584 F586 R597	E581-G583 PolarHBondContact O-N 3.13Å; E581-G583 VanDerWaalsContact O-N 3.12Å; E581-A584 PolarHBondContact N-O 2.83Å; E581-A584 PolarHBondContact O-N 3.43Å; E581-F586 HydrophobicContact CB-CD2 4.04Å; E581-F586 HydrophobicContact CB-CE2 4.02Å; E581-R597 IonicContact OE2-CZ 3.61Å; E581-R597 IonicContact OE2-NH1 3.38Å; E581-R597 PolarHBondContact OE2-NH1 2.96Å; E581-R597 IonicContact OE2-NH2 3.08Å; E581-R597 PolarHBondContact OE2-NH2 2.95Å
582	G	73.9	Confident	91.9	Very high	92 Å²	92	51 Å²	51	95%	0.948	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	27.7	176.3	0	0	0	0	0	114.6	A584	G582-A584 VanDerWaalsContact C-N 3.31Å
583	G	75.8	Confident	91.7	Very high	69 Å²	69	52.6 Å²	52.6	71%	0.711	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-5.1	-176.5	0	0	0	0	0	114.9	E581	E581-G583 PolarHBondContact O-N 3.13Å; E581-G583 VanDerWaalsContact O-N 3.12Å
584	A	83.8	Confident	91.6	Very high	13 Å²	13	52.1 Å²	52.1	11%	0.107	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	144.4	174.7	0	0	0	0	0	111.5	L580 E581 G582 F586 K599	L580-A584 WeakPolarHBondContact CA-O 3.42Å; E581-A584 PolarHBondContact N-O 2.83Å; E581-A584 PolarHBondContact O-N 3.43Å; G582-A584 VanDerWaalsContact C-N 3.31Å; A584-F586 HydrophobicContact CB-CD2 4.48Å; A584-F586 HydrophobicContact CB-CE2 3.82Å; A584-F586 HydrophobicContact CB-CZ 4.3Å; A584-K599 HydrophobicContact CB-CD 4.08Å; A584-K599 HydrophobicContact CB-CG 4.47Å
585	S	90.7	Very high	91.5	Very high	37 Å²	37	60.9 Å²	60.9	26%	0.259	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.4	174.6	-65.5	0	0	0	0	110.4	K599 L600	S585-K599 WeakPolarHBondContact O-CG 3.22Å; S585-L600 WeakPolarHBondContact CB-O 3.37Å; S585-L600 PolarHBondContact O-N 3.41Å
586	F	94.2	Very high	91.4	Very high	30 Å²	30	59.6 Å²	59.6	13%	0.132	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.1	176.8	-69	-88.9	0	0	0	110.1	V578 E579 E581 A584 R597 K599	V578-F586 WeakPolarHBondContact CA-O 3.35Å; E579-F586 PolarHBondContact N-O 2.77Å; E579-F586 PolarHBondContact O-N 3.4Å; E581-F586 HydrophobicContact CB-CD2 4.04Å; E581-F586 HydrophobicContact CB-CE2 4.02Å; A584-F586 HydrophobicContact CB-CD2 4.48Å; A584-F586 HydrophobicContact CB-CE2 3.82Å; A584-F586 HydrophobicContact CB-CZ 4.3Å; F586-R597 HydrophobicContact CB-CG 4.3Å; F586-R597 HydrophobicContact CD1-CG 4.29Å; F586-R597 VanDerWaalsContact CD2-NH2 3.27Å; F586-R597 VanDerWaalsContact CG-NH2 3.29Å; F586-K599 HydrophobicContact CD1-CB 4.2Å; F586-K599 HydrophobicContact CE1-CB 4.1Å; F586-K599 HydrophobicContact CE1-CG 4.33Å
587	L	96	Very high	91.3	Very high	0 Å²	0	63 Å²	63	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	105.1	173.1	177.5	67.1	0	0	0	108.6	Q499 L502 L506 V578 C589 R597 P598 L600 L609	Q499-L587 HydrophobicContact CB-CD2 3.93Å; Q499-L587 HydrophobicContact CG-CD2 4.42Å; Q499-L587 VanDerWaalsContact O-CD2 3.3Å; Q499-L587 WeakPolarHBondContact O-CD2 3.42Å; L502-L587 HydrophobicContact CD2-CD1 3.9Å; L502-L587 HydrophobicContact CG-CD1 4.1Å; L506-L587 HydrophobicContact CD1-CD1 3.74Å; V578-L587 HydrophobicContact CG2-CD1 4.04Å; L587-C589 HydrophobicContact CD1-CB 4.39Å; L587-C589 HydrophobicContact CD2-CB 4.33Å; L587-C589 HydrophobicContact CG-CB 3.98Å; L587-C589 PolarHBondContact O-N 3.14Å; L587-R597 WeakPolarHBondContact O-CA 3.4Å; L587-P598 HydrophobicContact CB-CG 4.21Å; L587-P598 HydrophobicContact CD2-CG 4.34Å; L587-P598 PolarHBondContact N-O 3.33Å; L587-P598 VanDerWaalsContact O-CD 3.27Å; L587-P598 WeakPolarHBondContact O-CD 3.4Å; L587-L600 HydrophobicContact CB-CB 4.19Å; L587-L600 HydrophobicContact CB-CD2 4.45Å; L587-L609 HydrophobicContact CD2-CD2 4.32Å
588	H	95.4	Very high	91.4	Very high	59 Å²	59	61 Å²	61	27%	0.273	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	102.9	170.7	-72.7	-113.3	0	0	0	107.9	G576 A577 E579 R597	G576-H588 CarbonylContact C-O 3.52Å; G576-H588 WeakPolarHBondContact CA-O 3.35Å; A577-H588 PolarHBondContact N-O 2.84Å; A577-H588 PolarHBondContact O-N 2.87Å; E579-H588 IonicContact OE2-CD2 2.67Å; E579-H588 IonicContact OE2-CE1 3.06Å; E579-H588 IonicContact OE2-NE2 2.68Å; E579-H588 PolarHBondContact OE2-NE2 2.75Å; H588-R597 PolarHBondContact CE1-NE 3.27Å; H588-R597 PolarHBondContact NE2-NE 3.14Å
589	C	95.4	Very high	91.4	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.034	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.1	-174.7	62.6	0	0	0	0	112.8	L502 T575 L587 K595 S596	L502-C589 HydrophobicContact CD2-CB 3.54Å; T575-C589 CarbonylContact O-C 3.54Å; T575-C589 WeakPolarHBondContact O-CA 3.1Å; T575-C589 WeakPolarHBondContact O-CB 3.45Å; L587-C589 HydrophobicContact CD1-CB 4.39Å; L587-C589 HydrophobicContact CD2-CB 4.33Å; L587-C589 HydrophobicContact CG-CB 3.98Å; L587-C589 PolarHBondContact O-N 3.14Å; C589-K595 CarbonylContact O-C 3.09Å; C589-K595 VanDerWaalsContact O-CA 3.31Å; C589-K595 WeakPolarHBondContact O-CA 3.44Å; C589-S596 PolarHBondContact N-O 3.43Å; C589-S596 PolarHBondContact O-N 3.18Å; C589-S596 PolarHBondContact SG-OG 3.42Å
590	S	96.8	Very high	91.5	Very high	19 Å²	19	55.2 Å²	55.2	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.3	169.6	176.1	0	0	0	0	108.5	V574 T575 G593 V594	V574-S590 WeakPolarHBondContact CA-O 3.48Å; T575-S590 PolarHBondContact N-O 2.77Å; T575-S590 PolarHBondContact O-N 2.86Å; T575-S590 WeakPolarHBondContact OG1-CB 3.23Å; S590-G593 VanDerWaalsContact OG-CA 3.31Å; S590-G593 WeakPolarHBondContact OG-CA 3.48Å; S590-G593 PolarHBondContact OG-N 2.94Å; S590-V594 VanDerWaalsContact CA-O 3.28Å; S590-V594 WeakPolarHBondContact CA-O 3.44Å
591	V	96.3	Very high	91.9	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.7	173.4	-176.6	0	0	0	0	107.7	E495 Q499 Y572 H573 V574 G593 V594	E495-V591 HydrophobicContact CB-CG1 4.11Å; E495-V591 HydrophobicContact CG-CG1 3.86Å; Q499-V591 HydrophobicContact CG-CG2 4.25Å; Y572-V591 HydrophobicContact CD1-CG1 3.84Å; Y572-V591 HydrophobicContact CG-CG1 4.4Å; H573-V591 CarbonylContact O-C 3.54Å; H573-V591 WeakPolarHBondContact O-CA 3.33Å; V574-V591 HydrophobicContact CG1-CG2 4.48Å; V574-V591 HydrophobicContact CG2-CG1 4.38Å; V574-V591 HydrophobicContact CG2-CG2 4.45Å; V591-G593 PolarHBondContact O-N 2.8Å; V591-V594 PolarHBondContact N-O 2.97Å; V591-V594 WeakPolarHBondContact O-CB 3.29Å; V591-V594 PolarHBondContact O-N 2.92Å
592	N	95.5	Very high	92.2	Very high	79 Å²	79	46.6 Å²	46.6	42%	0.422	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.2	-175.2	-65.3	-19.8	0	0	0	113.7	Y572 H573 V594	Y572-N592 WeakPolarHBondContact CA-OD1 3.37Å; Y572-N592 WeakPolarHBondContact CD1-ND2 3.36Å; H573-N592 PolarHBondContact N-OD1 2.99Å; H573-N592 PolarHBondContact O-N 3.31Å; N592-V594 VanDerWaalsContact C-N 3.27Å; N592-V594 PolarHBondContact O-N 3.41Å
593	G	93.8	Very high	92.8	Very high	61 Å²	61	44.9 Å²	44.9	63%	0.629	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-9.1	-178.5	0	0	0	0	0	115.3	S590 V591 K595	S590-G593 VanDerWaalsContact OG-CA 3.31Å; S590-G593 WeakPolarHBondContact OG-CA 3.48Å; S590-G593 PolarHBondContact OG-N 2.94Å; V591-G593 PolarHBondContact O-N 2.8Å; G593-K595 PolarHBondContact O-N 3.14Å
594	V	95.1	Very high	93	Very high	104 Å²	104	48.9 Å²	48.9	63%	0.63	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.2	175.2	-177.6	0	0	0	0	109.2	S590 V591 N592	S590-V594 VanDerWaalsContact CA-O 3.28Å; S590-V594 WeakPolarHBondContact CA-O 3.44Å; V591-V594 PolarHBondContact N-O 2.97Å; V591-V594 WeakPolarHBondContact O-CB 3.29Å; V591-V594 PolarHBondContact O-N 2.92Å; N592-V594 VanDerWaalsContact C-N 3.27Å; N592-V594 PolarHBondContact O-N 3.41Å
595	K	95.2	Very high	92.8	Very high	185 Å²	185	53.2 Å²	53.2	80%	0.804	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.5	177.3	-66.4	-174.8	-180	-177.4	0	110.9	C589 G593	C589-K595 CarbonylContact O-C 3.09Å; C589-K595 VanDerWaalsContact O-CA 3.31Å; C589-K595 WeakPolarHBondContact O-CA 3.44Å; G593-K595 PolarHBondContact O-N 3.14Å
596	S	94.4	Very high	92.7	Very high	34 Å²	34	52.6 Å²	52.6	24%	0.238	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.7	176.1	58.5	0	0	0	0	110.8	Q499 C589	Q499-S596 PolarHBondContact NE2-OG 2.82Å; C589-S596 PolarHBondContact N-O 3.43Å; C589-S596 PolarHBondContact O-N 3.18Å; C589-S596 PolarHBondContact SG-OG 3.42Å
597	R	94.3	Very high	92.7	Very high	104 Å²	104	51.2 Å²	51.2	39%	0.392	28%	0.279	S	S	.	.			trans	-134.9	61.2	-177.7	-166.3	-166.1	-178.4	-123.1	-3.7	112.2	E581 F586 L587 H588	E581-R597 IonicContact OE2-CZ 3.61Å; E581-R597 IonicContact OE2-NH1 3.38Å; E581-R597 PolarHBondContact OE2-NH1 2.96Å; E581-R597 IonicContact OE2-NH2 3.08Å; E581-R597 PolarHBondContact OE2-NH2 2.95Å; F586-R597 HydrophobicContact CB-CG 4.3Å; F586-R597 HydrophobicContact CD1-CG 4.29Å; F586-R597 VanDerWaalsContact CD2-NH2 3.27Å; F586-R597 VanDerWaalsContact CG-NH2 3.29Å; L587-R597 WeakPolarHBondContact O-CA 3.4Å; H588-R597 PolarHBondContact CE1-NE 3.27Å; H588-R597 PolarHBondContact NE2-NE 3.14Å
598	P	94.8	Very high	92.6	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.019	28%	0.284	C	S	.	.			trans	-67	146.2	174	26.9	-33.6	0	0	0	111.4	L587 L609 F610	L587-P598 HydrophobicContact CB-CG 4.21Å; L587-P598 HydrophobicContact CD2-CG 4.34Å; L587-P598 PolarHBondContact N-O 3.33Å; L587-P598 VanDerWaalsContact O-CD 3.27Å; L587-P598 WeakPolarHBondContact O-CD 3.4Å; P598-L609 HydrophobicContact CB-CD2 4.29Å; P598-L609 HydrophobicContact CG-CD2 4.24Å; P598-F610 CarbonylContact C-O 3.57Å; P598-F610 WeakPolarHBondContact CA-O 3.25Å; P598-F610 WeakPolarHBondContact CB-O 3.49Å
599	K	94.8	Very high	92.6	Very high	18 Å²	18	49.6 Å²	49.6	8%	0.078	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.7	164.4	-168.1	177	-69.4	164.1	0	108.4	S395 N448 A584 S585 F586 L609 F610	S395-K599 VanDerWaalsContact CB-NZ 3.29Å; S395-K599 PolarHBondContact OG-NZ 3.39Å; N448-K599 HydrophobicContact CB-CD 4.43Å; N448-K599 VanDerWaalsContact OD1-CD 3.27Å; N448-K599 WeakPolarHBondContact OD1-CD 3.35Å; N448-K599 VanDerWaalsContact OD1-CE 3.27Å; N448-K599 WeakPolarHBondContact OD1-CE 3.44Å; N448-K599 PolarHBondContact OD1-NZ 2.94Å; A584-K599 HydrophobicContact CB-CD 4.08Å; A584-K599 HydrophobicContact CB-CG 4.47Å; S585-K599 WeakPolarHBondContact O-CG 3.22Å; F586-K599 HydrophobicContact CD1-CB 4.2Å; F586-K599 HydrophobicContact CE1-CB 4.1Å; F586-K599 HydrophobicContact CE1-CG 4.33Å; K599-L609 WeakPolarHBondContact O-CA 3.41Å; K599-F610 HydrophobicContact CB-CB 4.26Å; K599-F610 PolarHBondContact N-O 2.88Å; K599-F610 PolarHBondContact O-N 3.38Å
600	L	95.1	Very high	92.5	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122	-176.7	174.7	67	0	0	0	109.1	V578 S585 L587 V602 V607 L609	V578-L600 HydrophobicContact CG2-CD2 3.81Å; S585-L600 WeakPolarHBondContact CB-O 3.37Å; S585-L600 PolarHBondContact O-N 3.41Å; L587-L600 HydrophobicContact CB-CB 4.19Å; L587-L600 HydrophobicContact CB-CD2 4.45Å; L600-V602 HydrophobicContact CD1-CG2 3.81Å; L600-V602 HydrophobicContact CD2-CG2 4.49Å; L600-V602 HydrophobicContact CG-CG2 4.06Å; L600-V607 HydrophobicContact CD1-CG1 3.53Å; L600-L609 HydrophobicContact CB-CD2 4.49Å; L600-L609 HydrophobicContact CD1-CD2 3.75Å
601	V	94.3	Very high	92.2	Very high	18 Å²	18	51.3 Å²	51.3	11%	0.109	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.4	170.7	177.8	0	0	0	0	107.3	H393 V450 L603 H608 F610	H393-V601 HydrophobicContact CB-CG1 4.18Å; V450-V601 HydrophobicContact CG2-CG1 4.3Å; V601-L603 HydrophobicContact CG1-CD1 3.94Å; V601-L603 HydrophobicContact CG1-CG 3.96Å; V601-H608 HydrophobicContact CB-CB 4.21Å; V601-H608 PolarHBondContact N-O 3Å; V601-H608 PolarHBondContact O-N 2.88Å; V601-F610 HydrophobicContact CG2-CE2 4.35Å
602	V	90.3	Very high	91.8	Very high	30 Å²	30	54.3 Å²	54.3	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.4	177.1	-170.2	0	0	0	0	109	L504 Q507 L600 T606 V607	L504-V602 HydrophobicContact CD2-CG1 4.21Å; Q507-V602 VanDerWaalsContact OE1-CB 3.28Å; L600-V602 HydrophobicContact CD1-CG2 3.81Å; L600-V602 HydrophobicContact CD2-CG2 4.49Å; L600-V602 HydrophobicContact CG-CG2 4.06Å; V602-T606 VanDerWaalsContact CA-O 3.31Å; V602-T606 WeakPolarHBondContact CA-O 3.44Å; V602-V607 HydrophobicContact CG1-CG2 4.32Å; V602-V607 HydrophobicContact CG2-CG1 4.42Å; V602-V607 HydrophobicContact CG2-CG2 4.24Å
603	L	86.3	Confident	91.3	Very high	56 Å²	56	58.1 Å²	58.1	29%	0.293	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.9	-178.4	-67.3	172.9	0	0	0	108.9	L392 V450 V601 D605 T606	L392-L603 HydrophobicContact CB-CD1 3.73Å; L392-L603 HydrophobicContact CD1-CD1 4.24Å; V450-L603 HydrophobicContact CB-CD1 4.38Å; V450-L603 HydrophobicContact CG1-CD1 3.82Å; V601-L603 HydrophobicContact CG1-CD1 3.94Å; V601-L603 HydrophobicContact CG1-CG 3.96Å; L603-D605 VanDerWaalsContact C-N 3.32Å; L603-D605 PolarHBondContact O-N 3.43Å; L603-T606 PolarHBondContact N-O 2.68Å; L603-T606 WeakPolarHBondContact O-CA 3.35Å; L603-T606 VanDerWaalsContact O-CB 3.22Å; L603-T606 WeakPolarHBondContact O-CB 3.49Å; L603-T606 PolarHBondContact O-N 2.73Å
604	D	80.1	Confident	90.8	Very high	153 Å²	153	56.5 Å²	56.5	82%	0.818	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	52	177.8	-57.2	-33.4	0	0	0	113.6	T606	D604-T606 PolarHBondContact O-N 3.06Å; D604-T606 PolarHBondContact O-OG1 3.5Å
605	D	79.4	Confident	90.6	Very high	105 Å²	105	54.5 Å²	54.5	56%	0.561	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	18.4	-176.9	-62.1	-42.2	0	0	0	115	L603 S619 V620	L603-D605 VanDerWaalsContact C-N 3.32Å; L603-D605 PolarHBondContact O-N 3.43Å; D605-S619 CarbonylContact O-C 3.57Å; D605-S619 WeakPolarHBondContact O-CA 3.49Å; D605-V620 HydrophobicContact CB-CB 4.17Å; D605-V620 PolarHBondContact O-N 3.28Å
606	T	89.8	Confident	90.3	Very high	24 Å²	24	46.6 Å²	46.6	15%	0.147	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.9	173	-56.9	0	0	0	0	110.1	V602 L603 D604 H608 Q617	V602-T606 VanDerWaalsContact CA-O 3.31Å; V602-T606 WeakPolarHBondContact CA-O 3.44Å; L603-T606 PolarHBondContact N-O 2.68Å; L603-T606 WeakPolarHBondContact O-CA 3.35Å; L603-T606 VanDerWaalsContact O-CB 3.22Å; L603-T606 WeakPolarHBondContact O-CB 3.49Å; L603-T606 PolarHBondContact O-N 2.73Å; D604-T606 PolarHBondContact O-N 3.06Å; D604-T606 PolarHBondContact O-OG1 3.5Å; T606-H608 WeakPolarHBondContact CG2-NE2 3.5Å; T606-Q617 HydrophobicContact CG2-CG 3.53Å
607	V	93.3	Very high	90.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.5	176.5	-175.3	0	0	0	0	109.3	A500 L504 L600 V602 L609 Q617 V618	A500-V607 HydrophobicContact CB-CB 4.38Å; A500-V607 HydrophobicContact CB-CG1 4.11Å; L504-V607 HydrophobicContact CD1-CG2 3.93Å; L504-V607 HydrophobicContact CD2-CG2 3.54Å; L504-V607 HydrophobicContact CG-CG2 3.54Å; L600-V607 HydrophobicContact CD1-CG1 3.53Å; V602-V607 HydrophobicContact CG1-CG2 4.32Å; V602-V607 HydrophobicContact CG2-CG1 4.42Å; V602-V607 HydrophobicContact CG2-CG2 4.24Å; V607-L609 HydrophobicContact CG1-CD2 4.38Å; V607-L609 HydrophobicContact CG1-CG 4.12Å; V607-Q617 WeakPolarHBondContact O-CA 3.37Å; V607-V618 WeakPolarHBondContact CB-O 3.5Å; V607-V618 PolarHBondContact N-O 3.3Å; V607-V618 PolarHBondContact O-N 2.83Å
608	H	94.6	Very high	90	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.102	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.9	169.7	-56.3	-96.2	0	0	0	108.8	V450 V601 T606 F610 A616	V450-H608 WeakPolarHBondContact CG1-NE2 3.3Å; V450-H608 HydrophobicContact CG2-CB 4.12Å; V601-H608 HydrophobicContact CB-CB 4.21Å; V601-H608 PolarHBondContact N-O 3Å; V601-H608 PolarHBondContact O-N 2.88Å; T606-H608 WeakPolarHBondContact CG2-NE2 3.5Å; H608-F610 HydrophobicContact CB-CD2 4.49Å; H608-F610 HydrophobicContact CB-CE2 3.67Å; H608-F610 HydrophobicContact CB-CZ 4.05Å; H608-A616 WeakPolarHBondContact CA-O 3.49Å
609	L	94.6	Very high	89.8	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.6	174.5	-67.8	171.1	0	0	0	108.9	T496 Q499 A500 L587 P598 K599 L600 V607 S615 A616	T496-L609 HydrophobicContact CG2-CD1 4Å; Q499-L609 HydrophobicContact CB-CD1 3.67Å; A500-L609 HydrophobicContact CB-CD1 4.06Å; L587-L609 HydrophobicContact CD2-CD2 4.32Å; P598-L609 HydrophobicContact CB-CD2 4.29Å; P598-L609 HydrophobicContact CG-CD2 4.24Å; K599-L609 WeakPolarHBondContact O-CA 3.41Å; L600-L609 HydrophobicContact CB-CD2 4.49Å; L600-L609 HydrophobicContact CD1-CD2 3.75Å; V607-L609 HydrophobicContact CG1-CD2 4.38Å; V607-L609 HydrophobicContact CG1-CG 4.12Å; L609-S615 CarbonylContact O-C 3.59Å; L609-S615 VanDerWaalsContact O-CA 3.31Å; L609-S615 WeakPolarHBondContact O-CA 3.43Å; L609-A616 PolarHBondContact N-O 3.48Å; L609-A616 PolarHBondContact O-N 3.07Å
610	F	93.9	Very high	89.3	Confident	23 Å²	23	48.9 Å²	48.9	10%	0.101	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.7	175.2	-56.1	-89	0	0	0	110.5	N448 V450 P598 K599 V601 H608	N448-F610 HydrophobicContact CB-CB 4.38Å; N448-F610 HydrophobicContact CB-CD1 3.9Å; N448-F610 HydrophobicContact CB-CD2 3.82Å; N448-F610 HydrophobicContact CB-CE1 4.07Å; N448-F610 HydrophobicContact CB-CE2 3.99Å; N448-F610 HydrophobicContact CB-CG 3.77Å; N448-F610 HydrophobicContact CB-CZ 4.1Å; N448-F610 WeakPolarHBondContact ND2-CB 3.35Å; N448-F610 WeakPolarHBondContact ND2-CD1 3.25Å; N448-F610 VanDerWaalsContact ND2-CG 3.31Å; N448-F610 WeakPolarHBondContact ND2-CG 3.02Å; V450-F610 HydrophobicContact CG2-CE2 3.99Å; V450-F610 HydrophobicContact CG2-CZ 3.73Å; P598-F610 CarbonylContact C-O 3.57Å; P598-F610 WeakPolarHBondContact CA-O 3.25Å; P598-F610 WeakPolarHBondContact CB-O 3.49Å; K599-F610 HydrophobicContact CB-CB 4.26Å; K599-F610 PolarHBondContact N-O 2.88Å; K599-F610 PolarHBondContact O-N 3.38Å; V601-F610 HydrophobicContact CG2-CE2 4.35Å; H608-F610 HydrophobicContact CB-CD2 4.49Å; H608-F610 HydrophobicContact CB-CE2 3.67Å; H608-F610 HydrophobicContact CB-CZ 4.05Å
611	S	90.9	Very high	88.7	Confident	36 Å²	36	49.8 Å²	49.8	25%	0.252	28%	0.279	S	S	.	.			trans	-135.6	171.3	-177.2	69.3	0	0	0	0	111.2	E613 G614	S611-E613 WeakPolarHBondContact CB-OE2 3.15Å; S611-E613 PolarHBondContact O-N 3.39Å; S611-E613 PolarHBondContact OG-N 3.12Å; S611-E613 PolarHBondContact OG-OE2 2.82Å; S611-G614 PolarHBondContact N-O 3.33Å; S611-G614 PolarHBondContact O-N 2.8Å; S611-G614 PolarHBondContact OG-N 2.8Å; S611-G614 VanDerWaalsContact OG-N 3.14Å; S611-G614 PolarHBondContact OG-O 2.9Å
612	M	87.6	Confident	87.6	Confident	70 Å²	70	53.1 Å²	53.1	35%	0.345	30%	0.299	S	S	.	.	S	Bend	trans	-70.8	-13.2	173	-66.3	-55.7	-59.5	0	0	111.9	Y442 R445 Q446	Y442-M612 HydrophobicContact CD2-CE 3.33Å; Y442-M612 HydrophobicContact CE2-CE 3.52Å; Y442-M612 HydrophobicContact CE2-SD 4.32Å; Y442-M612 HydrophobicContact CG-CE 4.14Å; R445-M612 HydrophobicContact CB-CE 3.75Å; R445-M612 HydrophobicContact CB-SD 4.01Å; R445-M612 WeakPolarHBondContact CD-O 3.43Å; R445-M612 HydrophobicContact CG-CE 4.44Å; R445-M612 PolarHBondContact NE-O 3.28Å; R445-M612 PolarHBondContact NH1-O 2.99Å; Q446-M612 HydrophobicContact CG-SD 4.31Å
613	E	84.1	Confident	86.6	Confident	159 Å²	159	54.4 Å²	54.4	74%	0.743	31%	0.308	S	S	*	.	S	Bend	trans	-88.4	-28.8	177.9	-64	69	-151.5	0	0	111.4	R445 S611	R445-E613 PolarHBondContact NH1-O 3.14Å; R445-E613 VanDerWaalsContact NH1-O 3.16Å; S611-E613 WeakPolarHBondContact CB-OE2 3.15Å; S611-E613 PolarHBondContact O-N 3.39Å; S611-E613 PolarHBondContact OG-N 3.12Å; S611-E613 PolarHBondContact OG-OE2 2.82Å
614	G	84.7	Confident	85.7	Confident	28 Å²	28	61.4 Å²	61.4	29%	0.289	34%	0.336	S	S	.	.			trans	160	-174.4	177.5	0	0	0	0	0	112.9	S611	S611-G614 PolarHBondContact N-O 3.33Å; S611-G614 PolarHBondContact O-N 2.8Å; S611-G614 PolarHBondContact OG-N 2.8Å; S611-G614 VanDerWaalsContact OG-N 3.14Å; S611-G614 PolarHBondContact OG-O 2.9Å
615	S	89.3	Confident	85	Confident	61 Å²	61	61.7 Å²	61.7	43%	0.427	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.2	173.1	75.2	0	0	0	0	111.2	L609	L609-S615 CarbonylContact O-C 3.59Å; L609-S615 VanDerWaalsContact O-CA 3.31Å; L609-S615 WeakPolarHBondContact O-CA 3.43Å
616	A	90.3	Very high	83.9	Confident	19 Å²	19	61.1 Å²	61.1	16%	0.157	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.6	173.3	0	0	0	0	0	110.8	P492 T496 H608 L609	P492-A616 HydrophobicContact CG-CB 4.5Å; T496-A616 HydrophobicContact CG2-CB 3.49Å; T496-A616 VanDerWaalsContact CG2-CB 3.49Å; H608-A616 WeakPolarHBondContact CA-O 3.49Å; L609-A616 PolarHBondContact N-O 3.48Å; L609-A616 PolarHBondContact O-N 3.07Å
617	Q	91.6	Very high	82.3	Confident	121 Å²	121	62.5 Å²	62.5	57%	0.565	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.5	174.7	-177	-179	-2.4	0	0	109.3	T606 V607	T606-Q617 HydrophobicContact CG2-CG 3.53Å; V607-Q617 WeakPolarHBondContact O-CA 3.37Å
618	V	91.4	Very high	79.9	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.6	-179.6	-172.6	0	0	0	0	108.6	L497 A500 L544 L546 V607	L497-V618 HydrophobicContact CD2-CG1 4.26Å; L497-V618 HydrophobicContact CD2-CG2 4.33Å; A500-V618 HydrophobicContact CB-CB 4.06Å; A500-V618 HydrophobicContact CB-CG1 4.34Å; A500-V618 HydrophobicContact CB-CG2 4.01Å; L544-V618 HydrophobicContact CB-CG1 3.7Å; L544-V618 HydrophobicContact CD1-CG1 4Å; L544-V618 HydrophobicContact CD2-CG1 4.16Å; L544-V618 HydrophobicContact CG-CG1 4.15Å; L546-V618 HydrophobicContact CD2-CB 4.25Å; L546-V618 HydrophobicContact CD2-CG1 3.98Å; L546-V618 HydrophobicContact CD2-CG2 3.77Å; V607-V618 WeakPolarHBondContact CB-O 3.5Å; V607-V618 PolarHBondContact N-O 3.3Å; V607-V618 PolarHBondContact O-N 2.83Å
619	S	89.3	Confident	77.6	Confident	34 Å²	34	71.5 Å²	71.5	24%	0.238	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	161.8	177.7	53.9	0	0	0	0	112.3	L544 Q545 D605	L544-S619 CarbonylContact C-O 3.38Å; L544-S619 WeakPolarHBondContact CA-O 3.39Å; Q545-S619 WeakPolarHBondContact CB-OG 3.24Å; Q545-S619 PolarHBondContact N-O 2.6Å; Q545-S619 PolarHBondContact O-N 3.06Å; Q545-S619 PolarHBondContact O-OG 2.95Å; D605-S619 CarbonylContact O-C 3.57Å; D605-S619 WeakPolarHBondContact O-CA 3.49Å
620	V	85.6	Confident	74.8	Confident	51 Å²	51	75.7 Å²	75.7	31%	0.309	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-96.9	132.6	167.9	-175.4	0	0	0	0	108.1	L504 L544 D605 V622	L504-V620 HydrophobicContact CD1-CG2 3.58Å; L504-V620 HydrophobicContact CD2-CG2 4.27Å; L544-V620 HydrophobicContact CD2-CG2 4.44Å; D605-V620 HydrophobicContact CB-CB 4.17Å; D605-V620 PolarHBondContact O-N 3.28Å; V620-V622 PolarHBondContact O-N 3.15Å
621	P	81.6	Confident	72	Confident	31 Å²	31	77.8 Å²	77.8	20%	0.201	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-61.3	133.5	177.9	-14.9	23.8	0	0	0	111.3	R543 Q545	R543-P621 HydrophobicContact CB-CG 4.22Å; R543-P621 HydrophobicContact CG-CG 3.74Å; R543-P621 WeakPolarHBondContact O-CD 3.43Å; Q545-P621 HydrophobicContact CB-CG 4.24Å
622	V	71.3	Confident	69.2	Low	87 Å²	87	81.7 Å²	81.7	53%	0.527	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-58.4	127.7	172.9	-177.6	0	0	0	0	109.4	V620 L626	V620-V622 PolarHBondContact O-N 3.15Å; V622-L626 HydrophobicContact CG1-CB 3.86Å
623	P	69.9	Low	66.7	Low	57 Å²	57	81 Å²	81	37%	0.37	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-56.9	140.2	176.9	-26.5	34.4	0	0	0	112.2	H625 L626 A627	P623-H625 WeakPolarHBondContact CB-CE1 3.33Å; P623-H625 PolarHBondContact O-N 3.22Å; P623-L626 HydrophobicContact CG-CD1 4.3Å; P623-L626 PolarHBondContact O-N 2.92Å; P623-A627 PolarHBondContact O-N 3.1Å
624	K	66.8	Low	64.6	Low	204 Å²	204	83.2 Å²	83.2	89%	0.887	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.3	-176.4	-69.1	-172.2	177.6	-174.8	0	114.4	L626	K624-L626 VanDerWaalsContact C-N 3.31Å
625	H	64.4	Low	63	Low	158 Å²	158	86.8 Å²	86.8	73%	0.731	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.1	178.7	61.2	-90.6	0	0	0	113.6	P623	P623-H625 WeakPolarHBondContact CB-CE1 3.33Å; P623-H625 PolarHBondContact O-N 3.22Å
626	L	57.7	Low	61.5	Low	94 Å²	94	85.7 Å²	85.7	49%	0.492	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-17.4	173.2	-70.5	173.3	0	0	0	112.6	V622 P623 K624 G628 V629	V622-L626 HydrophobicContact CG1-CB 3.86Å; P623-L626 HydrophobicContact CG-CD1 4.3Å; P623-L626 PolarHBondContact O-N 2.92Å; K624-L626 VanDerWaalsContact C-N 3.31Å; L626-G628 PolarHBondContact O-N 2.65Å; L626-V629 PolarHBondContact O-N 2.83Å
627	A	55	Low	60.8	Low	53 Å²	53	85.4 Å²	85.4	44%	0.438	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.3	-177	0	0	0	0	0	114.8	P623 V629	P623-A627 PolarHBondContact O-N 3.1Å; A627-V629 VanDerWaalsContact C-N 3.35Å
628	G	44.1	Very low	60.4	Low	78 Å²	78	80 Å²	80	80%	0.804	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.9	178.4	0	0	0	0	0	115.8	L626	L626-G628 PolarHBondContact O-N 2.65Å
629	V	45.7	Very low	60.3	Low	133 Å²	133	83 Å²	83	81%	0.806	52%	0.521	S	S	*	.	S	Bend	trans	-110.1	-9.8	-173.4	-170	0	0	0	0	113	L626 A627	L626-V629 PolarHBondContact O-N 2.83Å; A627-V629 VanDerWaalsContact C-N 3.35Å
630	S	36.2	Very low	60	Low	92 Å²	92	81.3 Å²	81.3	64%	0.643	51%	0.51	S	S	*	.	S	Bend	trans	-145.1	29.7	-167.7	50.4	0	0	0	0	115.2
631	G	33.7	Very low	59.6	Low	66 Å²	66	80.5 Å²	80.5	68%	0.68	51%	0.505	S	S	*	.			trans	-99.3	98.7	173.7	0	0	0	0	0	112.3	G633	G631-G633 VanDerWaalsContact C-N 3.31Å; G631-G633 PolarHBondContact O-N 2.96Å
632	S	33.2	Very low	59.5	Low	119 Å²	119	79.3 Å²	79.3	83%	0.832	50%	0.497	S	S	*	.			trans	-65.7	97.1	155.1	54.6	0	0	0	0	107.2
633	G	34.7	Very low	60	Low	56 Å²	56	76.9 Å²	76.9	58%	0.577	48%	0.482	S	S	*	.			trans	-51.9	143.9	175.2	0	0	0	0	0	110.6	G631 Q635	G631-G633 VanDerWaalsContact C-N 3.31Å; G631-G633 PolarHBondContact O-N 2.96Å; G633-Q635 PolarHBondContact O-N 2.99Å
634	Q	40.3	Very low	60.7	Low	205 Å²	205	74.2 Å²	74.2	96%	0.958	47%	0.465	S	S	*	.			trans	-55.1	93.1	163.6	-93.8	169.2	-43	0	0	107.9
635	Q	50.8	Low	61.6	Low	103 Å²	103	66.3 Å²	66.3	48%	0.481	43%	0.434	S	S	.	.			trans	-73.1	127.1	169.6	-71.7	-173.1	-9.7	0	0	106.6	G633 G637	G633-Q635 PolarHBondContact O-N 2.99Å; Q635-G637 PolarHBondContact O-N 3.41Å
636	G	58.6	Low	62.7	Low	37 Å²	37	58.8 Å²	58.8	38%	0.381	40%	0.399	S	S	.	.	S	Bend	trans	-66	25.6	-170.4	0	0	0	0	0	116.8	K679	G636-K679 WeakPolarHBondContact O-CE 3.26Å
637	G	75.1	Confident	64.1	Low	13 Å²	13	58.7 Å²	58.7	13%	0.134	40%	0.396	C	S	.	.	S	Bend	trans	-132.6	-162.9	179.2	0	0	0	0	0	113.9	Q635 V701	Q635-G637 PolarHBondContact O-N 3.41Å; G637-V701 CarbonylContact C-O 3.44Å; G637-V701 VanDerWaalsContact C-O 3.3Å; G637-V701 WeakPolarHBondContact CA-O 3.43Å
638	A	82.6	Confident	65.6	Low	7 Å²	7	61.5 Å²	61.5	6%	0.058	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.9	-175.1	0	0	0	0	0	111.7	L663 I675 L700 V701	A638-L663 HydrophobicContact CB-CD1 3.66Å; A638-I675 HydrophobicContact CB-CG2 4.11Å; A638-L700 WeakPolarHBondContact O-CB 3.41Å; A638-L700 PolarHBondContact O-N 3.49Å; A638-V701 HydrophobicContact CB-CB 4.34Å; A638-V701 PolarHBondContact N-O 2.81Å; A638-V701 PolarHBondContact O-N 2.85Å; A638-V701 VanDerWaalsContact O-N 3.08Å
639	V	88.8	Confident	67.8	Low	64 Å²	64	59.7 Å²	59.7	39%	0.388	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	158.1	175.8	-60	0	0	0	0	110.9	P641 A698	V639-P641 WeakPolarHBondContact O-CD 3.12Å; V639-A698 CarbonylContact C-O 3.37Å; V639-A698 VanDerWaalsContact CA-O 3.29Å; V639-A698 WeakPolarHBondContact CA-O 3.45Å
640	A	83.3	Confident	69.9	Low	0 Å²	0	57.5 Å²	57.5	0%	0	36%	0.355	C	S	.	.			trans	-67.9	117.8	177	0	0	0	0	0	110.2	M642 A694 S695 H697 A698 L700	A640-M642 PolarHBondContact O-N 3.48Å; A640-A694 HydrophobicContact CB-CB 4.29Å; A640-S695 WeakPolarHBondContact CB-O 3.24Å; A640-H697 WeakPolarHBondContact O-CA 3.49Å; A640-H697 PolarHBondContact O-N 2.77Å; A640-A698 HydrophobicContact CB-CB 4.41Å; A640-A698 PolarHBondContact N-O 2.94Å; A640-L700 HydrophobicContact CB-CD1 3.89Å; A640-L700 HydrophobicContact CB-CD2 4.07Å; A640-L700 HydrophobicContact CB-CG 3.96Å
641	P	78.9	Confident	72.5	Confident	33 Å²	33	53.9 Å²	53.9	21%	0.214	33%	0.329	C	S	.	.	S	Bend	trans	-72.2	-19.1	-178.4	28.2	-34.2	0	0	0	112.8	L385 V639 M666	L385-P641 HydrophobicContact CD1-CB 4.12Å; V639-P641 WeakPolarHBondContact O-CD 3.12Å; P641-M666 HydrophobicContact CG-CE 4.03Å
642	M	78.5	Confident	75.2	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.03	33%	0.326	C	S	.	.	S	Bend	trans	-152.6	164.3	-176.4	60.1	-174	-56.8	0	0	109.4	L385 P386 A640 M666 A668 H673	L385-M642 HydrophobicContact CD2-SD 3.94Å; P386-M642 HydrophobicContact CG-CE 3.38Å; P386-M642 WeakPolarHBondContact O-CE 3.3Å; A640-M642 PolarHBondContact O-N 3.48Å; M642-M666 HydrophobicContact CB-CE 4.42Å; M642-M666 HydrophobicContact CG-CE 3.19Å; M642-M666 WeakPolarHBondContact O-CE 3.36Å; M642-M666 HydrophobicContact SD-CE 4.07Å; M642-A668 HydrophobicContact CE-CB 3.22Å; M642-A668 HydrophobicContact SD-CB 4.21Å; M642-H673 HydrophobicContact SD-CB 4.49Å
643	T	81.6	Confident	78	Confident	36 Å²	36	54.7 Å²	54.7	22%	0.221	31%	0.311	C	S	.	.	S	Bend	trans	-78.7	129.2	172.9	-59.4	0	0	0	0	109.7	A417 A668 A694 R696	A417-T643 HydrophobicContact CB-CG2 4.25Å; T643-A668 WeakPolarHBondContact O-CB 3.46Å; T643-A694 CarbonylContact C-O 3.57Å; T643-A694 VanDerWaalsContact CA-O 3.29Å; T643-A694 WeakPolarHBondContact CA-O 3.18Å; T643-R696 PolarHBondContact OG1-N 3.39Å
644	G	85.3	Confident	80.5	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-177.8	-175.9	0	0	0	0	0	114.5	Q693 A694	G644-Q693 WeakPolarHBondContact O-CA 3.38Å; G644-A694 PolarHBondContact N-O 3.13Å; G644-A694 PolarHBondContact O-N 2.85Å
645	T	84.8	Confident	82.8	Confident	38 Å²	38	47 Å²	47	23%	0.233	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.2	174.7	-61.3	0	0	0	0	110	E647 M666 I667 S692	T645-E647 PolarHBondContact O-N 2.84Å; T645-M666 CarbonylContact O-C 3.54Å; T645-M666 WeakPolarHBondContact O-CA 3.37Å; T645-M666 WeakPolarHBondContact O-CG 3.33Å; T645-I667 PolarHBondContact N-O 2.78Å; T645-I667 PolarHBondContact O-N 3.4Å; T645-S692 CarbonylContact C-O 3.55Å; T645-S692 WeakPolarHBondContact CA-O 3.15Å
646	I	88.2	Confident	84.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	112.5	173.7	-58	-53.9	0	0	0	108.9	V649 M664 M666 F688 G691 S692 A694 L700	I646-V649 HydrophobicContact CG2-CG2 3.82Å; I646-M664 HydrophobicContact CD1-CE 4.44Å; I646-M664 HydrophobicContact CG1-CE 4.41Å; I646-M664 HydrophobicContact CG2-CE 3.74Å; I646-M666 HydrophobicContact CD1-CB 4.19Å; I646-M666 HydrophobicContact CD1-CG 4.13Å; I646-M666 HydrophobicContact CD1-SD 4.23Å; I646-F688 HydrophobicContact CG1-CB 3.9Å; I646-F688 HydrophobicContact CG1-CG 4.44Å; I646-G691 PolarHBondContact O-N 2.8Å; I646-S692 PolarHBondContact N-O 2.75Å; I646-A694 HydrophobicContact CD1-CB 4.41Å; I646-L700 HydrophobicContact CD1-CD2 4.13Å
647	E	86.3	Confident	86.2	Confident	93 Å²	93	49.5 Å²	49.5	44%	0.435	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-44.9	178.3	-177.6	69.3	-171.9	0	0	111	T645 V665 I667	T645-E647 PolarHBondContact O-N 2.84Å; E647-V665 HydrophobicContact CB-CG1 4.49Å; E647-V665 PolarHBondContact N-O 3.08Å; E647-I667 HydrophobicContact CB-CD1 3.72Å; E647-I667 HydrophobicContact CB-CG1 3.82Å; E647-I667 HydrophobicContact CG-CD1 3.58Å; E647-I667 HydrophobicContact CG-CG1 4.22Å; E647-I667 WeakPolarHBondContact OE2-CD1 3.2Å
648	K	87	Confident	86.8	Confident	112 Å²	112	52.6 Å²	52.6	49%	0.487	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.2	-179.3	-71.2	-179.9	-177.9	174.5	0	112.6	L650 M664 V665 E690	K648-L650 HydrophobicContact CB-CD2 4.3Å; K648-M664 CarbonylContact O-C 3.49Å; K648-M664 WeakPolarHBondContact O-CA 3.42Å; K648-V665 HydrophobicContact CB-CB 4.14Å; K648-V665 HydrophobicContact CB-CG2 4.27Å; K648-V665 PolarHBondContact N-O 2.87Å; K648-V665 VanDerWaalsContact N-O 3.12Å; K648-V665 PolarHBondContact O-N 3.31Å; K648-E690 WeakPolarHBondContact CA-OE1 3.43Å
649	V	90.7	Very high	86.9	Confident	39 Å²	39	55.1 Å²	55.1	24%	0.236	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.3	169.1	-174.9	0	0	0	0	108.2	I646 V651 M664 V686 E690	I646-V649 HydrophobicContact CG2-CG2 3.82Å; V649-V651 VanDerWaalsContact CG1-O 3.26Å; V649-V651 WeakPolarHBondContact CG1-O 3.46Å; V649-M664 HydrophobicContact CB-CE 4.24Å; V649-M664 HydrophobicContact CG1-CE 4.03Å; V649-M664 HydrophobicContact CG2-CE 3.46Å; V649-M664 VanDerWaalsContact CG2-CE 3.46Å; V649-V686 HydrophobicContact CG1-CG1 3.95Å; V649-E690 HydrophobicContact CB-CG 4.34Å; V649-E690 HydrophobicContact CG2-CG 3.86Å; V649-E690 PolarHBondContact N-OE1 2.81Å
650	L	89.9	Confident	86.5	Confident	87 Å²	87	53.7 Å²	53.7	46%	0.455	31%	0.31	S	S	.	.			trans	-98.4	-10.2	-172.7	-55.8	173.2	0	0	0	113.2	K648 P662 L663 V665	K648-L650 HydrophobicContact CB-CD2 4.3Å; L650-P662 HydrophobicContact CD1-CB 3.72Å; L650-P662 HydrophobicContact CD1-CG 4.21Å; L650-L663 WeakPolarHBondContact CA-O 3.49Å; L650-L663 VanDerWaalsContact CB-O 3.31Å; L650-L663 WeakPolarHBondContact CB-O 3.45Å; L650-L663 PolarHBondContact N-O 3.48Å; L650-V665 HydrophobicContact CD1-CG2 4.11Å
651	V	90.4	Very high	86.5	Confident	16 Å²	16	56.5 Å²	56.5	10%	0.097	33%	0.325	C	S	.	.			trans	-131.2	156.5	-177.4	-61.8	0	0	0	0	111.4	V649 V657 L663 I683 V686	V649-V651 VanDerWaalsContact CG1-O 3.26Å; V649-V651 WeakPolarHBondContact CG1-O 3.46Å; V651-V657 HydrophobicContact CG1-CG1 3.92Å; V651-L663 HydrophobicContact CG1-CD2 3.85Å; V651-L663 HydrophobicContact CG2-CB 4.2Å; V651-L663 HydrophobicContact CG2-CD2 4.07Å; V651-L663 PolarHBondContact N-O 2.79Å; V651-I683 HydrophobicContact CB-CG1 4.21Å; V651-I683 HydrophobicContact CG2-CG1 4.17Å; V651-V686 HydrophobicContact CG2-CG2 4.29Å
652	K	91.2	Very high	87	Confident	141 Å²	141	57.4 Å²	57.4	61%	0.613	33%	0.331	S	S	*	.			trans	-125.2	164.2	172.7	54.9	176.8	179.7	-169.5	0	110.7	G654 D655 I683	K652-G654 PolarHBondContact O-N 2.84Å; K652-D655 WeakPolarHBondContact CE-OD1 3.3Å; K652-D655 VanDerWaalsContact CG-CG 3.44Å; K652-D655 WeakPolarHBondContact CG-OD1 3.38Å; K652-D655 WeakPolarHBondContact CG-OD2 3.4Å; K652-D655 PolarHBondContact N-OD2 3.13Å; K652-D655 WeakPolarHBondContact O-CB 3.34Å; K652-D655 PolarHBondContact O-N 2.96Å; K652-D655 VanDerWaalsContact O-N 3.13Å; K652-I683 WeakPolarHBondContact O-CB 3.3Å
653	A	90.1	Very high	87.5	Confident	62 Å²	62	57.2 Å²	57.2	51%	0.512	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	133.8	171.5	0	0	0	0	0	110.8	I683	A653-I683 CarbonylContact C-O 3.47Å; A653-I683 WeakPolarHBondContact CA-O 3.5Å
654	G	88.2	Confident	87.9	Confident	53 Å²	53	55.5 Å²	55.5	55%	0.546	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	-9.3	-174.9	0	0	0	0	0	115.3	K652 I683	K652-G654 PolarHBondContact O-N 2.84Å; G654-I683 PolarHBondContact N-O 3.22Å
655	D	89.2	Confident	87.9	Confident	46 Å²	46	56.2 Å²	56.2	25%	0.246	32%	0.324	C	S	.	.			trans	-72	138.8	177.5	-71.4	-14	0	0	0	111.2	K652 V682 I683	K652-D655 WeakPolarHBondContact CE-OD1 3.3Å; K652-D655 VanDerWaalsContact CG-CG 3.44Å; K652-D655 WeakPolarHBondContact CG-OD1 3.38Å; K652-D655 WeakPolarHBondContact CG-OD2 3.4Å; K652-D655 PolarHBondContact N-OD2 3.13Å; K652-D655 WeakPolarHBondContact O-CB 3.34Å; K652-D655 PolarHBondContact O-N 2.96Å; K652-D655 VanDerWaalsContact O-N 3.13Å; D655-V682 WeakPolarHBondContact O-CA 3.44Å; D655-I683 HydrophobicContact CB-CG1 4.29Å; D655-I683 PolarHBondContact O-N 2.96Å
656	K	89.7	Confident	87.8	Confident	183 Å²	183	54.4 Å²	54.4	80%	0.796	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.1	169.6	-67.2	-169.6	177.6	-172.5	0	109.2	V682	K656-V682 HydrophobicContact CG-CG2 4.2Å
657	V	89.8	Confident	87.3	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.7	177.1	-61.5	0	0	0	0	109.8	V651 D661 L663 A677 S680 G681 I683 L703	V651-V657 HydrophobicContact CG1-CG1 3.92Å; V657-D661 HydrophobicContact CB-CB 4.29Å; V657-L663 HydrophobicContact CB-CD2 4.25Å; V657-L663 HydrophobicContact CG1-CD2 3.82Å; V657-L663 HydrophobicContact CG2-CD2 4.26Å; V657-A677 HydrophobicContact CB-CB 4.35Å; V657-A677 HydrophobicContact CG2-CB 4Å; V657-S680 CarbonylContact O-C 3.56Å; V657-S680 VanDerWaalsContact O-CA 3.24Å; V657-S680 WeakPolarHBondContact O-CA 3.35Å; V657-G681 WeakPolarHBondContact CG2-O 3.33Å; V657-G681 PolarHBondContact N-O 2.82Å; V657-G681 PolarHBondContact O-N 2.8Å; V657-I683 HydrophobicContact CB-CD1 4.45Å; V657-I683 HydrophobicContact CG1-CD1 3.91Å; V657-I683 HydrophobicContact CG1-CG1 4.06Å; V657-I683 HydrophobicContact CG2-CD1 3.64Å; V657-I683 HydrophobicContact CG2-CG1 4.49Å; V657-L703 HydrophobicContact CG2-CD2 4.08Å
658	T	88.4	Confident	86.8	Confident	78 Å²	78	52.2 Å²	52.2	48%	0.479	30%	0.304	S	S	.	.			trans	-96.4	153.5	169.7	64	0	0	0	0	110.2	G660 D661 A677 S680	T658-G660 PolarHBondContact O-N 2.73Å; T658-D661 WeakPolarHBondContact CA-OD2 3.47Å; T658-D661 WeakPolarHBondContact CB-OD2 3.49Å; T658-D661 PolarHBondContact N-OD2 3.31Å; T658-D661 VanDerWaalsContact O-CB 3.28Å; T658-D661 WeakPolarHBondContact O-CB 3.01Å; T658-D661 PolarHBondContact O-N 3.37Å; T658-D661 PolarHBondContact OG1-OD1 3.28Å; T658-D661 PolarHBondContact OG1-OD2 3.02Å; T658-A677 WeakPolarHBondContact O-CB 3.31Å; T658-S680 WeakPolarHBondContact CA-OG 3.35Å
659	A	85.7	Confident	86.2	Confident	59 Å²	59	47.5 Å²	47.5	49%	0.488	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	126.7	174.9	0	0	0	0	0	110.7	S680	A659-S680 PolarHBondContact N-OG 3.19Å
660	G	79.7	Confident	85.1	Confident	34 Å²	34	53.3 Å²	53.3	35%	0.351	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-10.1	-175.8	0	0	0	0	0	115.4	T658 R676 A677	T658-G660 PolarHBondContact O-N 2.73Å; G660-R676 WeakPolarHBondContact O-CD 3.33Å; G660-R676 WeakPolarHBondContact O-CG 3.21Å; G660-R676 PolarHBondContact O-NH1 3.18Å; G660-A677 PolarHBondContact N-O 3.45Å
661	D	84.1	Confident	83.9	Confident	59 Å²	59	52.1 Å²	52.1	32%	0.316	30%	0.299	S	S	.	.			trans	-64.3	140.4	176.8	-80.7	-24.5	0	0	0	111.6	V657 T658 L663 R676 A677	V657-D661 HydrophobicContact CB-CB 4.29Å; T658-D661 WeakPolarHBondContact CA-OD2 3.47Å; T658-D661 WeakPolarHBondContact CB-OD2 3.49Å; T658-D661 PolarHBondContact N-OD2 3.31Å; T658-D661 VanDerWaalsContact O-CB 3.28Å; T658-D661 WeakPolarHBondContact O-CB 3.01Å; T658-D661 PolarHBondContact O-N 3.37Å; T658-D661 PolarHBondContact OG1-OD1 3.28Å; T658-D661 PolarHBondContact OG1-OD2 3.02Å; D661-L663 PolarHBondContact O-N 2.83Å; D661-R676 CarbonylContact O-C 3.55Å; D661-R676 VanDerWaalsContact O-CA 3.23Å; D661-R676 WeakPolarHBondContact O-CA 3.47Å; D661-A677 PolarHBondContact O-N 2.86Å
662	P	87.8	Confident	83.3	Confident	53 Å²	53	58.1 Å²	58.1	34%	0.344	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.3	-179.1	32.7	-35.5	0	0	0	110.3	L650 T674	L650-P662 HydrophobicContact CD1-CB 3.72Å; L650-P662 HydrophobicContact CD1-CG 4.21Å; P662-T674 HydrophobicContact CB-CG2 3.52Å
663	L	89.1	Confident	82.7	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-48.9	-178.9	-59.3	-176.7	0	0	0	112	A638 L650 V651 V657 D661 I675 A677 I683 V701	A638-L663 HydrophobicContact CB-CD1 3.66Å; L650-L663 WeakPolarHBondContact CA-O 3.49Å; L650-L663 VanDerWaalsContact CB-O 3.31Å; L650-L663 WeakPolarHBondContact CB-O 3.45Å; L650-L663 PolarHBondContact N-O 3.48Å; V651-L663 HydrophobicContact CG1-CD2 3.85Å; V651-L663 HydrophobicContact CG2-CB 4.2Å; V651-L663 HydrophobicContact CG2-CD2 4.07Å; V651-L663 PolarHBondContact N-O 2.79Å; V657-L663 HydrophobicContact CB-CD2 4.25Å; V657-L663 HydrophobicContact CG1-CD2 3.82Å; V657-L663 HydrophobicContact CG2-CD2 4.26Å; D661-L663 PolarHBondContact O-N 2.83Å; L663-I675 PolarHBondContact N-O 2.75Å; L663-A677 HydrophobicContact CD1-CB 4.14Å; L663-A677 HydrophobicContact CD2-CB 3.96Å; L663-A677 HydrophobicContact CG-CB 4.11Å; L663-I683 HydrophobicContact CD2-CD1 4.16Å; L663-V701 HydrophobicContact CB-CG2 4.46Å; L663-V701 HydrophobicContact CD1-CB 4.3Å; L663-V701 HydrophobicContact CD1-CG1 4.47Å; L663-V701 HydrophobicContact CD1-CG2 4.23Å
664	M	90.9	Very high	82.4	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	154.5	-174.5	-52.9	179.7	86.9	0	0	109.6	I646 K648 V649 I675 V686 F688 L700 V701	I646-M664 HydrophobicContact CD1-CE 4.44Å; I646-M664 HydrophobicContact CG1-CE 4.41Å; I646-M664 HydrophobicContact CG2-CE 3.74Å; K648-M664 CarbonylContact O-C 3.49Å; K648-M664 WeakPolarHBondContact O-CA 3.42Å; V649-M664 HydrophobicContact CB-CE 4.24Å; V649-M664 HydrophobicContact CG1-CE 4.03Å; V649-M664 HydrophobicContact CG2-CE 3.46Å; V649-M664 VanDerWaalsContact CG2-CE 3.46Å; M664-I675 PolarHBondContact N-O 3.01Å; M664-I675 PolarHBondContact O-N 3.33Å; M664-V686 HydrophobicContact CE-CG1 3.83Å; M664-V686 HydrophobicContact SD-CG1 4.27Å; M664-F688 HydrophobicContact CE-CB 4.17Å; M664-L700 HydrophobicContact SD-CB 3.91Å; M664-L700 HydrophobicContact SD-CD1 4.5Å; M664-V701 HydrophobicContact CG-CG2 4.36Å; M664-V701 HydrophobicContact SD-CG2 3.83Å
665	V	84.5	Confident	82.3	Confident	16 Å²	16	51.9 Å²	51.9	10%	0.097	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.2	170.1	-174.8	0	0	0	0	108	E647 K648 L650 E672	E647-V665 HydrophobicContact CB-CG1 4.49Å; E647-V665 PolarHBondContact N-O 3.08Å; K648-V665 HydrophobicContact CB-CB 4.14Å; K648-V665 HydrophobicContact CB-CG2 4.27Å; K648-V665 PolarHBondContact N-O 2.87Å; K648-V665 VanDerWaalsContact N-O 3.12Å; K648-V665 PolarHBondContact O-N 3.31Å; L650-V665 HydrophobicContact CD1-CG2 4.11Å; V665-E672 HydrophobicContact CG1-CB 4.34Å; V665-E672 HydrophobicContact CG1-CG 4.43Å
666	M	83.7	Confident	82.2	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.8	177.3	-174.5	170.7	59.9	0	0	109.5	P641 M642 T645 I646 E672 H673 I675	P641-M666 HydrophobicContact CG-CE 4.03Å; M642-M666 HydrophobicContact CB-CE 4.42Å; M642-M666 HydrophobicContact CG-CE 3.19Å; M642-M666 WeakPolarHBondContact O-CE 3.36Å; M642-M666 HydrophobicContact SD-CE 4.07Å; T645-M666 CarbonylContact O-C 3.54Å; T645-M666 WeakPolarHBondContact O-CA 3.37Å; T645-M666 WeakPolarHBondContact O-CG 3.33Å; I646-M666 HydrophobicContact CD1-CB 4.19Å; I646-M666 HydrophobicContact CD1-CG 4.13Å; I646-M666 HydrophobicContact CD1-SD 4.23Å; M666-E672 CarbonylContact O-C 3.58Å; M666-E672 WeakPolarHBondContact O-CA 3.32Å; M666-H673 PolarHBondContact N-O 3.02Å; M666-H673 PolarHBondContact O-N 3.27Å; M666-I675 HydrophobicContact CB-CD1 4.15Å; M666-I675 HydrophobicContact CE-CD1 4.11Å; M666-I675 HydrophobicContact SD-CD1 4.47Å
667	I	77.8	Confident	82	Confident	44 Å²	44	48 Å²	48	23%	0.226	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.5	173.1	-66	177.4	0	0	0	109.1	T645 E647 M671 E672	T645-I667 PolarHBondContact N-O 2.78Å; T645-I667 PolarHBondContact O-N 3.4Å; E647-I667 HydrophobicContact CB-CD1 3.72Å; E647-I667 HydrophobicContact CB-CG1 3.82Å; E647-I667 HydrophobicContact CG-CD1 3.58Å; E647-I667 HydrophobicContact CG-CG1 4.22Å; E647-I667 WeakPolarHBondContact OE2-CD1 3.2Å; I667-M671 WeakPolarHBondContact CA-O 3.29Å; I667-E672 HydrophobicContact CD1-CG 3.94Å; I667-E672 HydrophobicContact CG1-CG 3.63Å
668	A	75.4	Confident	81.6	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	136.8	169.4	0	0	0	0	0	108.8	M642 T643 K670 M671	M642-A668 HydrophobicContact CE-CB 3.22Å; M642-A668 HydrophobicContact SD-CB 4.21Å; T643-A668 WeakPolarHBondContact O-CB 3.46Å; A668-K670 PolarHBondContact O-N 2.87Å; A668-K670 VanDerWaalsContact O-N 3.12Å; A668-M671 PolarHBondContact N-O 2.94Å; A668-M671 PolarHBondContact O-N 2.88Å
669	M	74.3	Confident	81.5	Confident	13 Å²	13	52.5 Å²	52.5	6%	0.064	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	40.1	172	-47.9	-176.6	92.3	0	0	113	P386 V415 A417 Y419 P421 M671	P386-M669 HydrophobicContact CB-SD 3.62Å; P386-M669 HydrophobicContact CG-CB 4.32Å; P386-M669 HydrophobicContact CG-SD 4.08Å; V415-M669 HydrophobicContact CG1-CE 3.74Å; A417-M669 WeakPolarHBondContact O-CG 3.23Å; A417-M669 PolarHBondContact O-N 3.47Å; Y419-M669 WeakPolarHBondContact O-CA 3.49Å; Y419-M669 WeakPolarHBondContact O-CB 3.25Å; Y419-M669 WeakPolarHBondContact O-CE 3.43Å; Y419-M669 VanDerWaalsContact O-CG 3.24Å; Y419-M669 WeakPolarHBondContact O-CG 3.21Å; P421-M669 HydrophobicContact CB-CE 3.34Å; P421-M669 HydrophobicContact CB-SD 3.84Å; P421-M669 HydrophobicContact CG-CE 3.97Å; P421-M669 HydrophobicContact CG-SD 4.17Å; M669-M671 PolarHBondContact O-N 3.49Å
670	K	67.4	Low	81.6	Confident	160 Å²	160	52.8 Å²	52.8	70%	0.696	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	11.1	-175.6	-55.3	178.4	-179.5	173.2	0	116	A668	A668-K670 PolarHBondContact O-N 2.87Å; A668-K670 VanDerWaalsContact O-N 3.12Å
671	M	65.7	Low	82.1	Confident	63 Å²	63	52 Å²	52	31%	0.31	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.7	173.2	-57.2	-154.8	-38.3	0	0	111.2	P386 I667 A668 M669	P386-M671 HydrophobicContact CG-CE 3.77Å; I667-M671 WeakPolarHBondContact CA-O 3.29Å; A668-M671 PolarHBondContact N-O 2.94Å; A668-M671 PolarHBondContact O-N 2.88Å; M669-M671 PolarHBondContact O-N 3.49Å
672	E	77.9	Confident	82.3	Confident	142 Å²	142	50.9 Å²	50.9	66%	0.664	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.7	167.3	-75.1	170.3	-146.9	0	0	109.5	V665 M666 I667	V665-E672 HydrophobicContact CG1-CB 4.34Å; V665-E672 HydrophobicContact CG1-CG 4.43Å; M666-E672 CarbonylContact O-C 3.58Å; M666-E672 WeakPolarHBondContact O-CA 3.32Å; I667-E672 HydrophobicContact CD1-CG 3.94Å; I667-E672 HydrophobicContact CG1-CG 3.63Å
673	H	77.9	Confident	82.4	Confident	64 Å²	64	48.4 Å²	48.4	30%	0.296	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.6	173.6	-169.2	77.4	0	0	0	109.9	M642 M666	M642-H673 HydrophobicContact SD-CB 4.49Å; M666-H673 PolarHBondContact N-O 3.02Å; M666-H673 PolarHBondContact O-N 3.27Å
674	T	84.3	Confident	82.5	Confident	51 Å²	51	53.5 Å²	53.5	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.3	175.7	-54.1	0	0	0	0	109.8	P662 R676	P662-T674 HydrophobicContact CB-CG2 3.52Å; T674-R676 HydrophobicContact CG2-CG 4.48Å
675	I	86.1	Confident	82.4	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.1	176.9	-55.6	-178.3	0	0	0	107.7	A638 L663 M664 M666 L700	A638-I675 HydrophobicContact CB-CG2 4.11Å; L663-I675 PolarHBondContact N-O 2.75Å; M664-I675 PolarHBondContact N-O 3.01Å; M664-I675 PolarHBondContact O-N 3.33Å; M666-I675 HydrophobicContact CB-CD1 4.15Å; M666-I675 HydrophobicContact CE-CD1 4.11Å; M666-I675 HydrophobicContact SD-CD1 4.47Å; I675-L700 HydrophobicContact CD1-CD1 3.07Å; I675-L700 HydrophobicContact CG1-CD1 4.4Å; I675-L700 HydrophobicContact CG2-CD1 4.3Å
676	R	85.3	Confident	82.7	Confident	143 Å²	143	59.6 Å²	59.6	54%	0.54	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.2	-174.2	-66.6	179.6	179.1	-78.5	-1.9	111.5	G660 D661 T674 P678	G660-R676 WeakPolarHBondContact O-CD 3.33Å; G660-R676 WeakPolarHBondContact O-CG 3.21Å; G660-R676 PolarHBondContact O-NH1 3.18Å; D661-R676 CarbonylContact O-C 3.55Å; D661-R676 VanDerWaalsContact O-CA 3.23Å; D661-R676 WeakPolarHBondContact O-CA 3.47Å; T674-R676 HydrophobicContact CG2-CG 4.48Å; R676-P678 WeakPolarHBondContact O-CD 3.44Å
677	A	85.9	Confident	83	Confident	5 Å²	5	63 Å²	63	4%	0.041	31%	0.311	C	S	.	.			trans	-63.3	122.7	178.3	0	0	0	0	0	110.4	V657 T658 G660 D661 L663 K679	V657-A677 HydrophobicContact CB-CB 4.35Å; V657-A677 HydrophobicContact CG2-CB 4Å; T658-A677 WeakPolarHBondContact O-CB 3.31Å; G660-A677 PolarHBondContact N-O 3.45Å; D661-A677 PolarHBondContact O-N 2.86Å; L663-A677 HydrophobicContact CD1-CB 4.14Å; L663-A677 HydrophobicContact CD2-CB 3.96Å; L663-A677 HydrophobicContact CG-CB 4.11Å; A677-K679 VanDerWaalsContact C-N 3.27Å; A677-K679 PolarHBondContact O-N 2.87Å
678	P	82.1	Confident	83.6	Confident	84 Å²	84	63.1 Å²	63.1	55%	0.545	31%	0.31	S	S	.	.	S	Bend	trans	-71.6	-25	180	28	-34.1	0	0	0	112.5	R676	R676-P678 WeakPolarHBondContact O-CD 3.44Å
679	K	86.4	Confident	84.2	Confident	98 Å²	98	68 Å²	68	43%	0.426	34%	0.339	S	S	.	.	S	Bend	trans	-149.3	161.3	176.4	60.9	177.1	-178	168.6	0	109.8	G636 A677 L703	G636-K679 WeakPolarHBondContact O-CE 3.26Å; A677-K679 VanDerWaalsContact C-N 3.27Å; A677-K679 PolarHBondContact O-N 2.87Å; K679-L703 HydrophobicContact CD-CD1 4.29Å; K679-L703 HydrophobicContact CG-CD1 3.53Å
680	S	87.3	Confident	84.9	Confident	66 Å²	66	73 Å²	73	46%	0.462	36%	0.362	S	S	.	.			trans	-68.3	147.6	170.7	-56.3	0	0	0	0	110.1	V657 T658 A659	V657-S680 CarbonylContact O-C 3.56Å; V657-S680 VanDerWaalsContact O-CA 3.24Å; V657-S680 WeakPolarHBondContact O-CA 3.35Å; T658-S680 WeakPolarHBondContact CA-OG 3.35Å; A659-S680 PolarHBondContact N-OG 3.19Å
681	G	89.9	Confident	85.6	Confident	18 Å²	18	68.1 Å²	68.1	19%	0.186	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-175.5	178.5	0	0	0	0	0	113.1	V657	V657-G681 WeakPolarHBondContact CG2-O 3.33Å; V657-G681 PolarHBondContact N-O 2.82Å; V657-G681 PolarHBondContact O-N 2.8Å
682	V	89.1	Confident	86.7	Confident	35 Å²	35	66.5 Å²	66.5	21%	0.212	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.5	173.3	-171.9	0	0	0	0	109.2	D655 K656 K684 L703 E704	D655-V682 WeakPolarHBondContact O-CA 3.44Å; K656-V682 HydrophobicContact CG-CG2 4.2Å; V682-K684 PolarHBondContact O-N 3.28Å; V682-L703 WeakPolarHBondContact O-CA 3.32Å; V682-E704 HydrophobicContact CB-CG 4.25Å; V682-E704 PolarHBondContact O-N 3.36Å
683	I	89.9	Confident	87	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	113.3	174.1	-56	-46.6	0	0	0	109.4	V651 K652 A653 G654 D655 V657 L663 V686 V701 L703	V651-I683 HydrophobicContact CB-CG1 4.21Å; V651-I683 HydrophobicContact CG2-CG1 4.17Å; K652-I683 WeakPolarHBondContact O-CB 3.3Å; A653-I683 CarbonylContact C-O 3.47Å; A653-I683 WeakPolarHBondContact CA-O 3.5Å; G654-I683 PolarHBondContact N-O 3.22Å; D655-I683 HydrophobicContact CB-CG1 4.29Å; D655-I683 PolarHBondContact O-N 2.96Å; V657-I683 HydrophobicContact CB-CD1 4.45Å; V657-I683 HydrophobicContact CG1-CD1 3.91Å; V657-I683 HydrophobicContact CG1-CG1 4.06Å; V657-I683 HydrophobicContact CG2-CD1 3.64Å; V657-I683 HydrophobicContact CG2-CG1 4.49Å; L663-I683 HydrophobicContact CD2-CD1 4.16Å; I683-V686 HydrophobicContact CG2-CG2 3.82Å; I683-V701 HydrophobicContact CD1-CG1 3.64Å; I683-V701 HydrophobicContact CG1-CG1 4.39Å; I683-V701 HydrophobicContact CG2-CG1 3.68Å; I683-L703 HydrophobicContact CD1-CD2 3.39Å
684	K	90.8	Very high	87.2	Confident	109 Å²	109	62 Å²	62	47%	0.474	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-46.4	173.7	-176.5	175.5	170.7	-165.9	0	111.2	V682 E702 E704	V682-K684 PolarHBondContact O-N 3.28Å; K684-E702 HydrophobicContact CB-CB 4.41Å; K684-E702 HydrophobicContact CB-CG 4.49Å; K684-E702 WeakPolarHBondContact CB-O 3.39Å; K684-E702 HydrophobicContact CD-CG 4.22Å; K684-E702 WeakPolarHBondContact CD-OE1 3.43Å; K684-E702 WeakPolarHBondContact CE-OE1 3.04Å; K684-E702 PolarHBondContact N-O 2.77Å; K684-E702 IonicContact NZ-OE1 2.74Å; K684-E702 PolarHBondContact NZ-OE1 2.96Å; K684-E704 HydrophobicContact CB-CG 3.8Å; K684-E704 HydrophobicContact CG-CG 4.29Å
685	K	89.1	Confident	87.2	Confident	107 Å²	107	63.3 Å²	63.3	47%	0.465	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	143.4	-175	-167.7	171.3	178.2	-179.6	0	112.1	F687 V701 E702	K685-F687 HydrophobicContact CD-CD1 4.22Å; K685-F687 HydrophobicContact CD-CE1 3.76Å; K685-F687 HydrophobicContact CD-CZ 4.16Å; K685-F687 HydrophobicContact CG-CE1 4.36Å; K685-V701 CarbonylContact O-C 3.55Å; K685-V701 WeakPolarHBondContact O-CA 3.45Å; K685-E702 HydrophobicContact CB-CB 4.18Å; K685-E702 PolarHBondContact N-O 2.89Å; K685-E702 PolarHBondContact O-N 3.19Å
686	V	90.9	Very high	86.7	Confident	36 Å²	36	68 Å²	68	22%	0.218	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.3	167.8	-175.9	0	0	0	0	107.7	V649 V651 M664 I683 V701	V649-V686 HydrophobicContact CG1-CG1 3.95Å; V651-V686 HydrophobicContact CG2-CG2 4.29Å; M664-V686 HydrophobicContact CE-CG1 3.83Å; M664-V686 HydrophobicContact SD-CG1 4.27Å; I683-V686 HydrophobicContact CG2-CG2 3.82Å; V686-V701 HydrophobicContact CG1-CG2 4.48Å; V686-V701 HydrophobicContact CG2-CG2 4.45Å
687	F	89.3	Confident	86.5	Confident	73 Å²	73	67 Å²	67	32%	0.32	36%	0.362	S	S	.	.			trans	-89.9	-18.5	-171.2	-68	-79.1	0	0	0	114.2	K685 A699 L700 E702	K685-F687 HydrophobicContact CD-CD1 4.22Å; K685-F687 HydrophobicContact CD-CE1 3.76Å; K685-F687 HydrophobicContact CD-CZ 4.16Å; K685-F687 HydrophobicContact CG-CE1 4.36Å; F687-A699 WeakPolarHBondContact CB-O 3.49Å; F687-A699 HydrophobicContact CD2-CB 4.07Å; F687-A699 WeakPolarHBondContact CD2-O 3.5Å; F687-A699 HydrophobicContact CE2-CB 3.94Å; F687-A699 WeakPolarHBondContact CG-O 3.4Å; F687-L700 PolarHBondContact N-O 3.21Å; F687-E702 HydrophobicContact CE2-CB 3.82Å; F687-E702 HydrophobicContact CZ-CB 4.11Å
688	F	90.4	Very high	86.4	Confident	47 Å²	47	68 Å²	68	21%	0.206	37%	0.37	C	S	.	.			trans	-126.4	148.1	-173.1	-69.9	-93.4	0	0	0	111.4	I646 M664 S692 Q693 A694 A698 A699 L700	I646-F688 HydrophobicContact CG1-CB 3.9Å; I646-F688 HydrophobicContact CG1-CG 4.44Å; M664-F688 HydrophobicContact CE-CB 4.17Å; F688-S692 WeakPolarHBondContact CB-OG 3.39Å; F688-S692 WeakPolarHBondContact CD1-OG 3.28Å; F688-Q693 VanDerWaalsContact CE1-O 3.25Å; F688-Q693 WeakPolarHBondContact CE1-O 3.41Å; F688-A694 HydrophobicContact CD1-CB 4.07Å; F688-A694 HydrophobicContact CE1-CB 3.76Å; F688-A694 HydrophobicContact CE2-CB 4.25Å; F688-A694 HydrophobicContact CG-CB 4.46Å; F688-A694 HydrophobicContact CZ-CB 3.85Å; F688-A698 HydrophobicContact CE2-CB 4.18Å; F688-A698 HydrophobicContact CZ-CB 4.04Å; F688-A699 VanDerWaalsContact CE2-O 3.3Å; F688-A699 WeakPolarHBondContact CE2-O 3.19Å; F688-L700 HydrophobicContact CD2-CD2 3.44Å; F688-L700 VanDerWaalsContact CD2-CD2 3.44Å; F688-L700 HydrophobicContact CE2-CD2 3.74Å; F688-L700 HydrophobicContact CG-CD2 4.11Å
689	V	88.6	Confident	86.6	Confident	106 Å²	106	65.1 Å²	65.1	64%	0.642	35%	0.353	S	S	*	.			trans	-108.1	163.2	175.6	-63.1	0	0	0	0	110.5	G691 S692	V689-G691 PolarHBondContact O-N 3.01Å; V689-S692 PolarHBondContact N-OG 2.89Å; V689-S692 WeakPolarHBondContact O-CB 3.35Å; V689-S692 PolarHBondContact O-N 2.76Å; V689-S692 VanDerWaalsContact O-N 3.14Å; V689-S692 PolarHBondContact O-OG 2.83Å
690	E	88.9	Confident	86.6	Confident	116 Å²	116	60.5 Å²	60.5	54%	0.542	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	136.7	174.7	-58.7	-172.8	164.9	0	0	111	K648 V649 S692	K648-E690 WeakPolarHBondContact CA-OE1 3.43Å; V649-E690 HydrophobicContact CB-CG 4.34Å; V649-E690 HydrophobicContact CG2-CG 3.86Å; V649-E690 PolarHBondContact N-OE1 2.81Å; E690-S692 VanDerWaalsContact C-N 3.34Å
691	G	82.4	Confident	86.7	Confident	58 Å²	58	57.5 Å²	57.5	60%	0.598	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-10.5	-175.5	0	0	0	0	0	115.8	I646 V689	I646-G691 PolarHBondContact O-N 2.8Å; V689-G691 PolarHBondContact O-N 3.01Å
692	S	87.3	Confident	86.7	Confident	29 Å²	29	58.8 Å²	58.8	20%	0.203	31%	0.313	C	S	.	.			trans	-79.1	151.3	-179.7	64.4	0	0	0	0	113.1	T645 I646 F688 V689 E690	T645-S692 CarbonylContact C-O 3.55Å; T645-S692 WeakPolarHBondContact CA-O 3.15Å; I646-S692 PolarHBondContact N-O 2.75Å; F688-S692 WeakPolarHBondContact CB-OG 3.39Å; F688-S692 WeakPolarHBondContact CD1-OG 3.28Å; V689-S692 PolarHBondContact N-OG 2.89Å; V689-S692 WeakPolarHBondContact O-CB 3.35Å; V689-S692 PolarHBondContact O-N 2.76Å; V689-S692 VanDerWaalsContact O-N 3.14Å; V689-S692 PolarHBondContact O-OG 2.83Å; E690-S692 VanDerWaalsContact C-N 3.34Å
693	Q	84.4	Confident	86.6	Confident	110 Å²	110	57.5 Å²	57.5	51%	0.514	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.4	174.7	-77.4	-164.3	-33.4	0	0	111.6	H418 G644 F688	H418-Q693 PolarHBondContact CE1-NE2 2.85Å; H418-Q693 PolarHBondContact NE2-NE2 3.46Å; G644-Q693 WeakPolarHBondContact O-CA 3.38Å; F688-Q693 VanDerWaalsContact CE1-O 3.25Å; F688-Q693 WeakPolarHBondContact CE1-O 3.41Å
694	A	83.8	Confident	86.4	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.5	173.9	0	0	0	0	0	110	A640 T643 G644 I646 F688 L700	A640-A694 HydrophobicContact CB-CB 4.29Å; T643-A694 CarbonylContact C-O 3.57Å; T643-A694 VanDerWaalsContact CA-O 3.29Å; T643-A694 WeakPolarHBondContact CA-O 3.18Å; G644-A694 PolarHBondContact N-O 3.13Å; G644-A694 PolarHBondContact O-N 2.85Å; I646-A694 HydrophobicContact CD1-CB 4.41Å; F688-A694 HydrophobicContact CD1-CB 4.07Å; F688-A694 HydrophobicContact CE1-CB 3.76Å; F688-A694 HydrophobicContact CE2-CB 4.25Å; F688-A694 HydrophobicContact CG-CB 4.46Å; F688-A694 HydrophobicContact CZ-CB 3.85Å; A694-L700 HydrophobicContact CB-CD2 3.82Å
695	S	82.4	Confident	85.3	Confident	80 Å²	80	65.3 Å²	65.3	56%	0.559	34%	0.343	S	S	*	.			trans	-76.8	153.8	171.7	-56.4	0	0	0	0	111	A640 H697 A698	A640-S695 WeakPolarHBondContact CB-O 3.24Å; S695-H697 PolarHBondContact O-N 3.01Å; S695-A698 WeakPolarHBondContact O-CB 3.48Å; S695-A698 PolarHBondContact O-N 2.7Å
696	R	77.4	Confident	83.6	Confident	106 Å²	106	68 Å²	68	40%	0.4	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	136.6	170.4	-167.7	-175	-173.5	-170.5	0.4	110.6	T643 A698	T643-R696 PolarHBondContact OG1-N 3.39Å; R696-A698 PolarHBondContact O-N 2.92Å
697	H	79.6	Confident	81.1	Confident	124 Å²	124	75.1 Å²	75.1	57%	0.574	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	4.5	-175.9	-51.9	-63.1	0	0	0	116.3	A640 S695 A699	A640-H697 WeakPolarHBondContact O-CA 3.49Å; A640-H697 PolarHBondContact O-N 2.77Å; S695-H697 PolarHBondContact O-N 3.01Å; H697-A699 PolarHBondContact O-N 2.75Å
698	A	83.6	Confident	78.6	Confident	25 Å²	25	80.5 Å²	80.5	21%	0.207	41%	0.414	C	S	.	.			trans	-62.5	137	170.8	0	0	0	0	0	110.6	V639 A640 F688 S695 R696 L700	V639-A698 CarbonylContact C-O 3.37Å; V639-A698 VanDerWaalsContact CA-O 3.29Å; V639-A698 WeakPolarHBondContact CA-O 3.45Å; A640-A698 HydrophobicContact CB-CB 4.41Å; A640-A698 PolarHBondContact N-O 2.94Å; F688-A698 HydrophobicContact CE2-CB 4.18Å; F688-A698 HydrophobicContact CZ-CB 4.04Å; S695-A698 WeakPolarHBondContact O-CB 3.48Å; S695-A698 PolarHBondContact O-N 2.7Å; R696-A698 PolarHBondContact O-N 2.92Å; A698-L700 PolarHBondContact O-N 2.74Å
699	A	86.6	Confident	75.9	Confident	24 Å²	24	87.1 Å²	87.1	20%	0.198	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.7	175	0	0	0	0	0	110.2	F687 F688 H697	F687-A699 WeakPolarHBondContact CB-O 3.49Å; F687-A699 HydrophobicContact CD2-CB 4.07Å; F687-A699 WeakPolarHBondContact CD2-O 3.5Å; F687-A699 HydrophobicContact CE2-CB 3.94Å; F687-A699 WeakPolarHBondContact CG-O 3.4Å; F688-A699 VanDerWaalsContact CE2-O 3.3Å; F688-A699 WeakPolarHBondContact CE2-O 3.19Å; H697-A699 PolarHBondContact O-N 2.75Å
700	L	87.9	Confident	73.2	Confident	0 Å²	0	91.3 Å²	91.3	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-44.1	-176.8	-66.1	178.9	0	0	0	112	A638 A640 I646 M664 I675 F687 F688 A694 A698	A638-L700 WeakPolarHBondContact O-CB 3.41Å; A638-L700 PolarHBondContact O-N 3.49Å; A640-L700 HydrophobicContact CB-CD1 3.89Å; A640-L700 HydrophobicContact CB-CD2 4.07Å; A640-L700 HydrophobicContact CB-CG 3.96Å; I646-L700 HydrophobicContact CD1-CD2 4.13Å; M664-L700 HydrophobicContact SD-CB 3.91Å; M664-L700 HydrophobicContact SD-CD1 4.5Å; I675-L700 HydrophobicContact CD1-CD1 3.07Å; I675-L700 HydrophobicContact CG1-CD1 4.4Å; I675-L700 HydrophobicContact CG2-CD1 4.3Å; F687-L700 PolarHBondContact N-O 3.21Å; F688-L700 HydrophobicContact CD2-CD2 3.44Å; F688-L700 VanDerWaalsContact CD2-CD2 3.44Å; F688-L700 HydrophobicContact CE2-CD2 3.74Å; F688-L700 HydrophobicContact CG-CD2 4.11Å; A694-L700 HydrophobicContact CB-CD2 3.82Å; A698-L700 PolarHBondContact O-N 2.74Å
701	V	88.3	Confident	70.5	Confident	3 Å²	3	94.7 Å²	94.7	2%	0.018	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132	-178.7	-176.6	0	0	0	0	108.7	G637 A638 L663 M664 I683 K685 V686	G637-V701 CarbonylContact C-O 3.44Å; G637-V701 VanDerWaalsContact C-O 3.3Å; G637-V701 WeakPolarHBondContact CA-O 3.43Å; A638-V701 HydrophobicContact CB-CB 4.34Å; A638-V701 PolarHBondContact N-O 2.81Å; A638-V701 PolarHBondContact O-N 2.85Å; A638-V701 VanDerWaalsContact O-N 3.08Å; L663-V701 HydrophobicContact CB-CG2 4.46Å; L663-V701 HydrophobicContact CD1-CB 4.3Å; L663-V701 HydrophobicContact CD1-CG1 4.47Å; L663-V701 HydrophobicContact CD1-CG2 4.23Å; M664-V701 HydrophobicContact CG-CG2 4.36Å; M664-V701 HydrophobicContact SD-CG2 3.83Å; I683-V701 HydrophobicContact CD1-CG1 3.64Å; I683-V701 HydrophobicContact CG1-CG1 4.39Å; I683-V701 HydrophobicContact CG2-CG1 3.68Å; K685-V701 CarbonylContact O-C 3.55Å; K685-V701 WeakPolarHBondContact O-CA 3.45Å; V686-V701 HydrophobicContact CG1-CG2 4.48Å; V686-V701 HydrophobicContact CG2-CG2 4.45Å
702	E	90.4	Very high	68.2	Low	46 Å²	46	100.9 Å²	100.9	22%	0.215	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.8	170.9	-164.5	-178.7	161.6	0	0	108.7	K684 K685 F687	K684-E702 HydrophobicContact CB-CB 4.41Å; K684-E702 HydrophobicContact CB-CG 4.49Å; K684-E702 WeakPolarHBondContact CB-O 3.39Å; K684-E702 HydrophobicContact CD-CG 4.22Å; K684-E702 WeakPolarHBondContact CD-OE1 3.43Å; K684-E702 WeakPolarHBondContact CE-OE1 3.04Å; K684-E702 PolarHBondContact N-O 2.77Å; K684-E702 IonicContact NZ-OE1 2.74Å; K684-E702 PolarHBondContact NZ-OE1 2.96Å; K685-E702 HydrophobicContact CB-CB 4.18Å; K685-E702 PolarHBondContact N-O 2.89Å; K685-E702 PolarHBondContact O-N 3.19Å; F687-E702 HydrophobicContact CE2-CB 3.82Å; F687-E702 HydrophobicContact CZ-CB 4.11Å
703	L	86.3	Confident	65.7	Low	7 Å²	7	108.9 Å²	108.9	4%	0.037	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	152.2	170.6	-63.9	173.8	0	0	0	109.5	V657 K679 V682 I683	V657-L703 HydrophobicContact CG2-CD2 4.08Å; K679-L703 HydrophobicContact CD-CD1 4.29Å; K679-L703 HydrophobicContact CG-CD1 3.53Å; V682-L703 WeakPolarHBondContact O-CA 3.32Å; I683-L703 HydrophobicContact CD1-CD2 3.39Å
704	E	85.9	Confident	63.2	Low	101 Å²	101	106.6 Å²	106.6	47%	0.472	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-60.8	140	167.9	-65.7	-176.4	166.6	0	0	109.8	V682 K684 E706	V682-E704 HydrophobicContact CB-CG 4.25Å; V682-E704 PolarHBondContact O-N 3.36Å; K684-E704 HydrophobicContact CB-CG 3.8Å; K684-E704 HydrophobicContact CG-CG 4.29Å; E704-E706 PolarHBondContact O-N 3.45Å
705	E	68	Low	61	Low	172 Å²	172	112.2 Å²	112.2	80%	0.804	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-73.1	121.9	170	-71.5	-178.6	164	0	0	107.4	E707	E705-E707 PolarHBondContact O-N 2.99Å
706	E	53.8	Low	58.8	Low	164 Å²	164	113.7 Å²	113.7	77%	0.766	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-68.9	117.2	162.6	-76.2	179.3	163.1	0	0	106.3	E704 E708	E704-E706 PolarHBondContact O-N 3.45Å; E706-E708 PolarHBondContact O-N 3.3Å
707	E	38.3	Very low	56.7	Low	186 Å²	186	121.8 Å²	121.8	87%	0.869	62%	0.617	S	S	*	*			trans	-59.2	107.4	165.4	-75.3	-177.1	160.9	0	0	106.8	E705 E709	E705-E707 PolarHBondContact O-N 2.99Å; E707-E709 PolarHBondContact O-N 2.86Å
708	E	36.1	Very low	55.5	Low	185 Å²	185	121.7 Å²	121.7	86%	0.864	62%	0.619	S	S	*	*			trans	-56.7	108.8	163.5	-78.2	179.9	164.5	0	0	106.8	E706 K710	E706-E708 PolarHBondContact O-N 3.3Å; E708-K710 VanDerWaalsContact C-N 3.35Å; E708-K710 PolarHBondContact O-N 2.98Å
709	E	32.9	Very low	54.1	Low	187 Å²	187	126.8 Å²	126.8	87%	0.874	64%	0.641	S	S	*	*			trans	-53.2	103.7	166.1	-82.3	-178.3	159.6	0	0	107.2	E707 E711	E707-E709 PolarHBondContact O-N 2.86Å; E709-E711 PolarHBondContact O-N 2.97Å
710	K	33.3	Very low	52.3	Low	194 Å²	194	132.5 Å²	132.5	84%	0.843	67%	0.665	S	S	*	*			trans	-61.5	103.4	163.7	-77.2	178.9	176.7	175	0	106.5	E708 E712	E708-K710 VanDerWaalsContact C-N 3.35Å; E708-K710 PolarHBondContact O-N 2.98Å; K710-E712 VanDerWaalsContact C-N 3.29Å; K710-E712 PolarHBondContact O-N 3.01Å
711	E	32.7	Very low	50.2	Low	187 Å²	187	140.3 Å²	140.3	87%	0.874	71%	0.705	S	S	*	*			trans	-56.4	100.7	157	-79.9	-177.4	152.7	0	0	107.2	E709 E713	E709-E711 PolarHBondContact O-N 2.97Å; E711-E713 VanDerWaalsContact C-N 3.35Å; E711-E713 PolarHBondContact O-N 2.89Å
712	E	33.4	Very low	47.8	Very low	187 Å²	187	148.9 Å²	148.9	87%	0.874	75%	0.748	S	S	*	*			trans	-61.2	99.5	161.3	-78.5	-176.5	150.5	0	0	107.3	K710 G714	K710-E712 VanDerWaalsContact C-N 3.29Å; K710-E712 PolarHBondContact O-N 3.01Å; E712-G714 PolarHBondContact O-N 3.22Å
713	E	34.2	Very low	44.9	Very low	197 Å²	197	155.7 Å²	155.7	92%	0.921	78%	0.783	S	S	*	*			trans	-62.6	86.1	155.6	-83.2	-172.6	158	0	0	107.8	E711 S715	E711-E713 VanDerWaalsContact C-N 3.35Å; E711-E713 PolarHBondContact O-N 2.89Å; E713-S715 PolarHBondContact O-N 2.8Å
714	G	32.5	Very low	42	Very low	63 Å²	63	166.4 Å²	166.4	65%	0.649	84%	0.836	S	S	*	*			trans	-61.3	114.4	168.2	0	0	0	0	0	109.7	E712 S716	E712-G714 PolarHBondContact O-N 3.22Å; G714-S716 PolarHBondContact O-N 3.3Å
715	S	37.5	Very low	38.6	Very low	119 Å²	119	171.4 Å²	171.4	83%	0.832	86%	0.864	S	S	*	*			trans	-51.8	124	168.6	67.3	0	0	0	0	111	E713	E713-S715 PolarHBondContact O-N 2.8Å
716	S	35.7	Very low	36.2	Very low	111 Å²	111	171.3 Å²	171.3	78%	0.776	87%	0.869	S	S	*	*			trans	-155.8	109.5	152.9	35.1	0	0	0	0	111.5	G714	G714-S716 PolarHBondContact O-N 3.3Å
717	Q	33.8	Very low	34.6	Very low	276 Å²	276	172 Å²	172	100%	1.29	88%	0.879	S	S	*	*			trans	46.3	0	156.2	-70.5	-174.9	-12.9	0	0	121.2

Retrieved 717 of 717 residues in 3588.3 ms (Link to these results)

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