A0A087Y3V0_POEFO Loading...

Tartrate-resistant acid phosphatase type 5

AlphaFold DB , UniProt , Accession A0A087Y3V0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	36.8	Very low	237 Å²	237	145.6 Å²	145.6	100%	1.167	83%	0.829	S	S	*	*				0	101.8	0	-76.5	179	168.4	0	0	107.6
2	A	33	Very low	36.7	Very low	98 Å²	98	139.7 Å²	139.7	81%	0.81	82%	0.823	S	S	*	*			trans	-104.1	115.1	178	0	0	0	0	0	107.9
3	F	35.6	Very low	37.2	Very low	203 Å²	203	140.3 Å²	140.3	89%	0.89	82%	0.818	S	S	*	*			trans	-84	112.5	172.2	-96.7	-91.5	0	0	0	108.4
4	V	35.3	Very low	37	Very low	123 Å²	123	135.1 Å²	135.1	75%	0.745	81%	0.809	S	S	*	*			trans	-82.9	114.7	169.1	175.6	0	0	0	0	107.4	L6	V4-L6 PolarHBondContact O-N 2.94Å
5	L	35.6	Very low	37	Very low	156 Å²	156	132.9 Å²	132.9	82%	0.817	80%	0.796	S	S	*	*			trans	-80.8	106.4	172.7	-147.9	86.9	0	0	0	107.9	T7	L5-T7 PolarHBondContact O-N 3.03Å
6	L	34.3	Very low	37.3	Very low	143 Å²	143	132.6 Å²	132.6	75%	0.749	80%	0.796	S	S	*	*			trans	-81.2	101	175.5	-143.3	88.6	0	0	0	108.5	V4 L8	V4-L6 PolarHBondContact O-N 2.94Å; L6-L8 PolarHBondContact O-N 3.24Å
7	T	38.6	Very low	37.3	Very low	119 Å²	119	131.5 Å²	131.5	73%	0.73	78%	0.784	S	S	*	*			trans	-76.3	102.4	169.4	29.1	0	0	0	0	109.4	L5 L9	L5-T7 PolarHBondContact O-N 3.03Å; T7-L9 PolarHBondContact O-N 3.34Å; T7-L9 VanDerWaalsContact O-N 3.12Å
8	L	37.4	Very low	37.9	Very low	157 Å²	157	129.6 Å²	129.6	82%	0.822	78%	0.777	S	S	*	*			trans	-70.8	98.9	167.9	-84	154.5	0	0	0	109	L6 S10	L6-L8 PolarHBondContact O-N 3.24Å; L8-S10 PolarHBondContact O-N 2.98Å; L8-S10 VanDerWaalsContact O-N 3.08Å
9	L	37.2	Very low	38.4	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	77%	0.77	S	S	*	*			trans	-70.5	93.2	162.7	-96.2	140	0	0	0	108.1	T7 A11	T7-L9 PolarHBondContact O-N 3.34Å; T7-L9 VanDerWaalsContact O-N 3.12Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.23Å
10	S	39.1	Very low	39.3	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	76%	0.757	S	S	*	*			trans	-70.7	93.4	164.9	51.8	0	0	0	0	108.2	L8 G12	L8-S10 PolarHBondContact O-N 2.98Å; L8-S10 VanDerWaalsContact O-N 3.08Å; S10-G12 VanDerWaalsContact C-N 3.3Å; S10-G12 PolarHBondContact O-N 3.2Å
11	A	39.5	Very low	40.7	Very low	88 Å²	88	124.5 Å²	124.5	73%	0.727	74%	0.736	S	S	*	*			trans	-64	96.3	163.1	0	0	0	0	0	107.6	L9 I13	L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.23Å; A11-I13 VanDerWaalsContact C-N 3.33Å; A11-I13 PolarHBondContact O-N 3.36Å
12	G	35.3	Very low	42.4	Very low	74 Å²	74	120.2 Å²	120.2	76%	0.763	72%	0.718	S	S	*	*			trans	-62.8	97.4	169.5	0	0	0	0	0	108.4	S10 G14	S10-G12 VanDerWaalsContact C-N 3.3Å; S10-G12 PolarHBondContact O-N 3.2Å; G12-G14 VanDerWaalsContact C-N 3.33Å; G12-G14 PolarHBondContact O-N 2.74Å
13	I	43	Very low	44.6	Very low	148 Å²	148	119.2 Å²	119.2	76%	0.759	70%	0.695	S	S	*	*			trans	-60.6	105.8	160.8	-61.7	171.7	0	0	0	104.4	A11 V15	A11-I13 VanDerWaalsContact C-N 3.33Å; A11-I13 PolarHBondContact O-N 3.36Å; I13-V15 HydrophobicContact CG2-CG2 4.49Å; I13-V15 PolarHBondContact O-N 2.97Å
14	G	34.2	Very low	46.7	Very low	67 Å²	67	112.9 Å²	112.9	69%	0.691	67%	0.668	S	S	*	*			trans	-61.4	90.2	169.7	0	0	0	0	0	107.8	G12 T16	G12-G14 VanDerWaalsContact C-N 3.33Å; G12-G14 PolarHBondContact O-N 2.74Å; G14-T16 PolarHBondContact O-N 3.04Å
15	V	38.1	Very low	48.6	Very low	102 Å²	102	112.8 Å²	112.8	62%	0.618	66%	0.664	S	S	*	*			trans	-65.6	96.5	163.9	-179.8	0	0	0	0	104.2	I13 L17	I13-V15 HydrophobicContact CG2-CG2 4.49Å; I13-V15 PolarHBondContact O-N 2.97Å; V15-L17 HydrophobicContact CG1-CD2 4.33Å; V15-L17 HydrophobicContact CG1-CG 4.34Å; V15-L17 PolarHBondContact O-N 3.28Å
16	T	40.8	Very low	50.6	Low	128 Å²	128	107.1 Å²	107.1	79%	0.785	63%	0.634	S	S	*	*			trans	-59	95.2	161.4	0.8	0	0	0	0	105.1	G14 C18	G14-T16 PolarHBondContact O-N 3.04Å; T16-C18 PolarHBondContact O-N 3Å
17	L	38.4	Very low	51.4	Low	115 Å²	115	104.1 Å²	104.1	60%	0.602	64%	0.637	S	S	*	*			trans	-59	115.3	-177.5	-74.9	147.7	0	0	0	107.4	V15 Y19	V15-L17 HydrophobicContact CG1-CD2 4.33Å; V15-L17 HydrophobicContact CG1-CG 4.34Å; V15-L17 PolarHBondContact O-N 3.28Å; L17-Y19 HydrophobicContact CB-CD2 3.44Å; L17-Y19 VanDerWaalsContact CB-CD2 3.44Å; L17-Y19 HydrophobicContact CB-CE2 3.47Å; L17-Y19 VanDerWaalsContact CB-CE2 3.47Å; L17-Y19 HydrophobicContact CD1-CE2 3.93Å; L17-Y19 HydrophobicContact CD2-CD2 4.48Å; L17-Y19 HydrophobicContact CD2-CE2 3.68Å; L17-Y19 HydrophobicContact CG-CD2 4.34Å; L17-Y19 HydrophobicContact CG-CE2 3.86Å; L17-Y19 PolarHBondContact O-N 3.3Å
18	C	48.2	Very low	52.3	Low	96 Å²	96	101 Å²	101	65%	0.649	63%	0.629	S	S	*	*			trans	-67.2	36.1	178.6	-70.6	0	0	0	0	113	T16 R200	T16-C18 PolarHBondContact O-N 3Å; C18-R200 PolarHBondContact O-NH2 3.47Å
19	Y	45.9	Very low	52.8	Low	168 Å²	168	102 Å²	102	66%	0.659	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-62.4	137.2	174.6	-69.4	-65.6	0	0	0	109.2	L17 R200	L17-Y19 HydrophobicContact CB-CD2 3.44Å; L17-Y19 VanDerWaalsContact CB-CD2 3.44Å; L17-Y19 HydrophobicContact CB-CE2 3.47Å; L17-Y19 VanDerWaalsContact CB-CE2 3.47Å; L17-Y19 HydrophobicContact CD1-CE2 3.93Å; L17-Y19 HydrophobicContact CD2-CD2 4.48Å; L17-Y19 HydrophobicContact CD2-CE2 3.68Å; L17-Y19 HydrophobicContact CG-CD2 4.34Å; L17-Y19 HydrophobicContact CG-CE2 3.86Å; L17-Y19 PolarHBondContact O-N 3.3Å; Y19-R200 PolarHBondContact O-NH2 3.27Å; Y19-R200 VanDerWaalsContact O-NH2 3.16Å
20	P	57.2	Low	53.6	Low	76 Å²	76	96 Å²	96	49%	0.494	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-56.7	146	168.5	24.5	-30.7	0	0	0	108.7	D22	P20-D22 PolarHBondContact O-N 3.25Å
21	A	68.4	Low	54.7	Low	39 Å²	39	102.1 Å²	102.1	32%	0.322	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-60.2	135.6	177	0	0	0	0	0	109.1	E147 N149	A21-E147 WeakPolarHBondContact CB-O 3.23Å; A21-N149 PolarHBondContact O-ND2 3.42Å
22	D	75.5	Confident	56.6	Low	146 Å²	146	104.9 Å²	104.9	78%	0.781	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-59.3	144.4	179.5	-73.9	-39.3	0	0	0	110.9	P20 Q24	P20-D22 PolarHBondContact O-N 3.25Å; D22-Q24 PolarHBondContact O-N 3.32Å
23	F	78.7	Confident	59.2	Low	77 Å²	77	104 Å²	104	34%	0.338	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-65.4	125.3	174.8	-89.6	-91.3	0	0	0	109.9	N149 F150 R151 T158	F23-N149 WeakPolarHBondContact CA-O 3.45Å; F23-N149 HydrophobicContact CD1-CB 3.86Å; F23-N149 HydrophobicContact CD2-CB 4.07Å; F23-N149 HydrophobicContact CE1-CB 3.89Å; F23-N149 HydrophobicContact CE2-CB 4.11Å; F23-N149 HydrophobicContact CG-CB 3.95Å; F23-N149 HydrophobicContact CZ-CB 4.03Å; F23-F150 WeakPolarHBondContact CE1-O 3.16Å; F23-R151 HydrophobicContact CB-CG 4.21Å; F23-R151 HydrophobicContact CD1-CG 3.82Å; F23-R151 HydrophobicContact CG-CG 4.31Å; F23-T158 HydrophobicContact CD1-CG2 4.27Å; F23-T158 HydrophobicContact CE1-CG2 3.51Å; F23-T158 HydrophobicContact CZ-CG2 3.92Å
24	Q	80.6	Confident	61.6	Low	70 Å²	70	100.3 Å²	100.3	33%	0.327	58%	0.579	S	S	.	*	B	Isolated β-bridge	trans	-88.9	129.5	176.2	-59.7	-179.8	48.9	0	0	109.9	D22 Y114 N149 F150 R151	D22-Q24 PolarHBondContact O-N 3.32Å; Q24-Y114 PolarHBondContact OE1-OH 2.73Å; Q24-Y114 VanDerWaalsContact OE1-OH 3.06Å; Q24-N149 PolarHBondContact N-O 2.96Å; Q24-F150 HydrophobicContact CB-CD1 3.97Å; Q24-F150 HydrophobicContact CB-CE1 4.14Å; Q24-R151 PolarHBondContact O-N 2.82Å
25	D	75.3	Confident	64.6	Low	122 Å²	122	97.4 Å²	97.4	65%	0.652	55%	0.548	S	S	*	.			trans	-92.9	114.5	166.7	-69.1	-35.5	0	0	0	108.3	G27 R151	D25-G27 PolarHBondContact O-N 3.19Å; D25-R151 WeakPolarHBondContact OD1-CD 3.47Å
26	L	76.1	Confident	67.4	Low	37 Å²	37	92.5 Å²	92.5	19%	0.194	52%	0.519	C	S	.	.			trans	-67.3	106.7	174.8	-64.2	169.8	0	0	0	108.4	I36 D74 F150	L26-I36 HydrophobicContact CD1-CB 4.45Å; L26-I36 HydrophobicContact CD1-CD1 4.11Å; L26-I36 HydrophobicContact CD1-CG1 3.96Å; L26-I36 HydrophobicContact CD1-CG2 3.89Å; L26-D74 HydrophobicContact CD1-CB 3.77Å; L26-D74 HydrophobicContact CD2-CB 4.3Å; L26-F150 HydrophobicContact CD1-CD1 4.46Å; L26-F150 HydrophobicContact CD2-CD1 4.21Å; L26-F150 HydrophobicContact CD2-CE1 4.13Å; L26-F150 HydrophobicContact CG-CD1 4.23Å
27	G	51.7	Low	70.2	Confident	79 Å²	79	90.5 Å²	90.5	81%	0.814	50%	0.497	S	S	*	.			trans	-67.3	137.5	-178.3	0	0	0	0	0	112.9	D25	D25-G27 PolarHBondContact O-N 3.19Å
28	G	57.5	Low	73	Confident	54 Å²	54	85 Å²	85	56%	0.557	47%	0.468	S	S	*	.			trans	125.7	104.8	163.1	0	0	0	0	0	118
29	N	48.7	Very low	75.5	Confident	179 Å²	179	80.5 Å²	80.5	96%	0.957	44%	0.437	S	S	*	.			trans	58.7	59.2	136.3	-71.2	-5.2	0	0	0	123
30	G	53.8	Low	78	Confident	38 Å²	38	72.5 Å²	72.5	39%	0.392	41%	0.406	S	S	.	.			trans	-164.8	118.5	144.8	0	0	0	0	0	111.1	N32 R33	G30-N32 PolarHBondContact O-N 3.36Å; G30-R33 PolarHBondContact O-N 2.97Å
31	R	62	Low	80	Confident	242 Å²	242	68.9 Å²	68.9	91%	0.913	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-15.6	171.9	-77.1	-176.9	175.8	168.9	-1.1	113.1	N154	R31-N154 PolarHBondContact O-ND2 2.74Å
32	N	79.7	Confident	81.4	Confident	145 Å²	145	67 Å²	67	78%	0.775	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	8.3	-176.5	-60.7	-5.6	0	0	0	114.1	G30 T34	G30-N32 PolarHBondContact O-N 3.36Å; N32-T34 PolarHBondContact O-N 3.42Å
33	R	88.8	Confident	82.5	Confident	56 Å²	56	60 Å²	60	21%	0.211	33%	0.33	C	S	.	.			trans	-71.2	128.1	179.8	-177.6	-176.7	169.6	168.1	6	109.9	G30 S35 D74 P153 N154	G30-R33 PolarHBondContact O-N 2.97Å; R33-S35 PolarHBondContact NE-O 2.91Å; R33-S35 PolarHBondContact NH2-O 2.97Å; R33-D74 IonicContact CZ-OD1 3.97Å; R33-D74 IonicContact CZ-OD2 2.69Å; R33-D74 IonicContact NH1-OD1 3.64Å; R33-D74 PolarHBondContact NH1-OD1 3.21Å; R33-D74 IonicContact NH2-OD1 3.75Å; R33-D74 PolarHBondContact NH2-OD1 2.91Å; R33-D74 IonicContact NH2-OD2 3.2Å; R33-D74 PolarHBondContact NH2-OD2 3.29Å; R33-P153 HydrophobicContact CB-CB 4.48Å; R33-P153 HydrophobicContact CG-CB 4.34Å; R33-P153 HydrophobicContact CG-CG 4.44Å; R33-P153 CarbonylContact O-C 3.07Å; R33-N154 WeakPolarHBondContact O-CB 3.44Å; R33-N154 PolarHBondContact O-ND2 3.03Å
34	T	94.1	Very high	83.5	Confident	71 Å²	71	56.4 Å²	56.4	44%	0.436	31%	0.314	S	S	.	.			trans	-129.8	14.9	-175.7	54.2	0	0	0	0	114.4	N32 I152 P153 N154 T155	N32-T34 PolarHBondContact O-N 3.42Å; T34-I152 WeakPolarHBondContact O-CG2 3.41Å; T34-P153 WeakPolarHBondContact CA-O 3.23Å; T34-N154 HydrophobicContact CG2-CB 4.45Å; T34-T155 HydrophobicContact CG2-CG2 4.31Å; T34-T155 WeakPolarHBondContact O-CG2 3.24Å
35	S	96.5	Very high	84.4	Confident	5 Å²	5	53 Å²	53	4%	0.035	30%	0.298	C	S	.	.			trans	-143.2	156.5	-180	64.4	0	0	0	0	114	R33 E304 V305	R33-S35 PolarHBondContact NE-O 2.91Å; R33-S35 PolarHBondContact NH2-O 2.97Å; S35-E304 WeakPolarHBondContact CB-OE1 3.34Å; S35-E304 PolarHBondContact OG-OE1 3.16Å; S35-V305 CarbonylContact C-O 3.54Å; S35-V305 WeakPolarHBondContact CA-O 3.4Å; S35-V305 WeakPolarHBondContact CB-O 3.16Å
36	I	97.8	Very high	85.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.9	166.3	-61.5	-178.5	0	0	0	107.7	L26 F38 F75 F150 I152 L159 E304 V305	L26-I36 HydrophobicContact CD1-CB 4.45Å; L26-I36 HydrophobicContact CD1-CD1 4.11Å; L26-I36 HydrophobicContact CD1-CG1 3.96Å; L26-I36 HydrophobicContact CD1-CG2 3.89Å; I36-F38 HydrophobicContact CG2-CD1 4.37Å; I36-F75 HydrophobicContact CG2-CE1 3.61Å; I36-F75 HydrophobicContact CG2-CZ 4.19Å; I36-F150 HydrophobicContact CD1-CB 3.51Å; I36-F150 HydrophobicContact CD1-CG 4.27Å; I36-I152 HydrophobicContact CD1-CG1 3.92Å; I36-I152 HydrophobicContact CG1-CG1 4.24Å; I36-L159 HydrophobicContact CD1-CB 4.41Å; I36-L159 HydrophobicContact CD1-CD2 4.21Å; I36-L159 HydrophobicContact CG2-CD2 4.26Å; I36-E304 CarbonylContact O-C 3.59Å; I36-E304 WeakPolarHBondContact O-CA 3.49Å; I36-V305 PolarHBondContact N-O 3.38Å; I36-V305 PolarHBondContact O-N 3.32Å
37	R	98.5	Very high	86.5	Confident	86 Å²	86	47.9 Å²	47.9	33%	0.325	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.8	-178.9	-57.4	-177.5	-178.3	164.2	-0.7	109.6	M71 G72 A73 D74 A303 E304	R37-M71 WeakPolarHBondContact CD-O 3.28Å; R37-M71 PolarHBondContact NE-O 2.9Å; R37-M71 PolarHBondContact NH1-O 3.33Å; R37-G72 WeakPolarHBondContact CB-O 3.5Å; R37-A73 CarbonylContact O-C 3.53Å; R37-D74 PolarHBondContact N-OD2 3.5Å; R37-D74 WeakPolarHBondContact O-CB 3.38Å; R37-D74 PolarHBondContact O-N 3.3Å; R37-D74 VanDerWaalsContact O-OD2 3.07Å; R37-A303 CarbonylContact C-O 3.51Å; R37-A303 VanDerWaalsContact CA-O 3.24Å; R37-A303 WeakPolarHBondContact CA-O 3.35Å; R37-E304 HydrophobicContact CG-CB 4.22Å; R37-E304 HydrophobicContact CG-CG 4Å; R37-E304 IonicContact CZ-OE1 3.75Å; R37-E304 VanDerWaalsContact CZ-OE1 3.31Å; R37-E304 IonicContact NE-OE1 2.68Å; R37-E304 PolarHBondContact NE-OE1 2.79Å; R37-E304 IonicContact NH2-OE1 3.48Å; R37-E304 PolarHBondContact NH2-OE1 3.49Å
38	F	98.9	Very high	88.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	158.1	178.7	58.8	-86.3	0	0	0	111.6	I36 V40 F75 L77 L159 L210 A303 V305	I36-F38 HydrophobicContact CG2-CD1 4.37Å; F38-V40 HydrophobicContact CD2-CG2 3.62Å; F38-V40 HydrophobicContact CE2-CG2 3.49Å; F38-V40 VanDerWaalsContact CE2-CG2 3.49Å; F38-F75 VanDerWaalsContact CA-O 3.23Å; F38-F75 WeakPolarHBondContact CA-O 3.36Å; F38-F75 HydrophobicContact CB-CD1 4.25Å; F38-F75 HydrophobicContact CB-CD2 3.48Å; F38-F75 VanDerWaalsContact CB-CD2 3.48Å; F38-F75 HydrophobicContact CB-CE1 4.09Å; F38-F75 HydrophobicContact CB-CE2 3.28Å; F38-F75 HydrophobicContact CB-CG 3.97Å; F38-F75 HydrophobicContact CB-CZ 3.61Å; F38-F75 VanDerWaalsContact CB-O 3.23Å; F38-F75 WeakPolarHBondContact CB-O 3.44Å; F38-F75 HydrophobicContact CD1-CE1 4.26Å; F38-F75 AromaticContact CD1-CE2 3.79Å; F38-F75 HydrophobicContact CD1-CE2 3.79Å; F38-F75 AromaticContact CD1-CZ 3.47Å; F38-F75 HydrophobicContact CD1-CZ 3.47Å; F38-F75 VanDerWaalsContact CD1-CZ 3.47Å; F38-F75 AromaticContact CD2-CE2 3.76Å; F38-F75 HydrophobicContact CD2-CE2 3.76Å; F38-F75 HydrophobicContact CD2-CZ 4.3Å; F38-F75 HydrophobicContact CE1-CZ 4.17Å; F38-F75 HydrophobicContact CG-CD2 4.07Å; F38-F75 HydrophobicContact CG-CE1 4.41Å; F38-F75 AromaticContact CG-CE2 3.35Å; F38-F75 HydrophobicContact CG-CE2 3.35Å; F38-F75 AromaticContact CG-CZ 3.55Å; F38-F75 HydrophobicContact CG-CZ 3.55Å; F38-L77 HydrophobicContact CD2-CD1 4.04Å; F38-L77 HydrophobicContact CD2-CG 4.05Å; F38-L77 HydrophobicContact CE2-CD1 3.77Å; F38-L77 HydrophobicContact CE2-CG 4.3Å; F38-L159 HydrophobicContact CE1-CD2 4.33Å; F38-L210 HydrophobicContact CZ-CD1 3.78Å; F38-A303 HydrophobicContact CD1-CB 3.91Å; F38-A303 HydrophobicContact CD2-CB 3.81Å; F38-A303 HydrophobicContact CE1-CB 3.55Å; F38-A303 HydrophobicContact CE2-CB 3.43Å; F38-A303 VanDerWaalsContact CE2-CB 3.43Å; F38-A303 HydrophobicContact CG-CB 4.04Å; F38-A303 HydrophobicContact CZ-CB 3.29Å; F38-A303 PolarHBondContact N-O 3.21Å; F38-A303 PolarHBondContact O-N 3.18Å; F38-V305 HydrophobicContact CE1-CG2 3.94Å
39	L	98.9	Very high	90.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	153.9	170.1	-51.6	-179.1	0	0	0	110	M64 V67 A68 A73 F75 I76 L77 L109 F300 V301 H302	L39-M64 HydrophobicContact CB-CE 4.19Å; L39-M64 HydrophobicContact CD1-CB 3.77Å; L39-M64 HydrophobicContact CD1-CE 3.78Å; L39-M64 HydrophobicContact CD1-CG 4.05Å; L39-V67 HydrophobicContact CD2-CG1 4.18Å; L39-A68 HydrophobicContact CD1-CB 4.26Å; L39-A73 HydrophobicContact CG-CB 4.05Å; L39-F75 PolarHBondContact N-O 3.28Å; L39-I76 HydrophobicContact CB-CG1 4.11Å; L39-I76 HydrophobicContact CB-CG2 4.41Å; L39-I76 HydrophobicContact CD1-CD1 4.37Å; L39-I76 HydrophobicContact CD1-CG1 4.47Å; L39-I76 HydrophobicContact CG-CG1 4.46Å; L39-I76 CarbonylContact O-C 3.43Å; L39-I76 WeakPolarHBondContact O-CA 3.35Å; L39-L77 PolarHBondContact O-N 2.97Å; L39-L109 HydrophobicContact CD1-CD2 3.87Å; L39-F300 HydrophobicContact CD1-CE2 4.41Å; L39-F300 HydrophobicContact CD2-CD2 4.22Å; L39-F300 HydrophobicContact CD2-CE2 3.97Å; L39-V301 CarbonylContact C-O 3.49Å; L39-V301 WeakPolarHBondContact CA-O 3.28Å; L39-H302 HydrophobicContact CD2-CB 4.05Å
40	V	98.9	Very high	92.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.9	177.4	-174.4	0	0	0	0	107.7	F38 L77 L79 L246 S266 F300 V301	F38-V40 HydrophobicContact CD2-CG2 3.62Å; F38-V40 HydrophobicContact CE2-CG2 3.49Å; F38-V40 VanDerWaalsContact CE2-CG2 3.49Å; V40-L77 WeakPolarHBondContact CA-O 3.33Å; V40-L77 HydrophobicContact CG1-CB 4.41Å; V40-L77 HydrophobicContact CG2-CB 4.4Å; V40-L77 HydrophobicContact CG2-CD1 4.33Å; V40-L79 HydrophobicContact CG1-CD1 3.33Å; V40-L79 HydrophobicContact CG1-CD2 4.28Å; V40-L79 HydrophobicContact CG1-CG 3.84Å; V40-L246 HydrophobicContact CB-CD2 4.43Å; V40-L246 HydrophobicContact CG1-CD2 3.95Å; V40-L246 HydrophobicContact CG2-CD2 3.74Å; V40-S266 PolarHBondContact O-OG 3.35Å; V40-F300 WeakPolarHBondContact O-CB 3.43Å; V40-V301 HydrophobicContact CB-CB 4.18Å; V40-V301 PolarHBondContact N-O 3.39Å; V40-V301 PolarHBondContact O-N 3.29Å
41	V	98.9	Very high	94.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	131.4	-179.8	64.3	0	0	0	0	109.5	W44 M64 I76 L77 A78 L79 W113 F300	V41-W44 HydrophobicContact CG2-CB 4.16Å; V41-W44 HydrophobicContact CG2-CG 4.47Å; V41-M64 HydrophobicContact CB-CE 4.32Å; V41-M64 HydrophobicContact CB-SD 4.3Å; V41-M64 HydrophobicContact CG1-CE 3.81Å; V41-M64 HydrophobicContact CG1-SD 4.2Å; V41-M64 HydrophobicContact CG2-SD 4.36Å; V41-I76 HydrophobicContact CG1-CG2 4.13Å; V41-L77 PolarHBondContact N-O 3.36Å; V41-A78 CarbonylContact O-C 3.26Å; V41-A78 VanDerWaalsContact O-CA 3.27Å; V41-A78 WeakPolarHBondContact O-CA 3.46Å; V41-L79 PolarHBondContact O-N 2.97Å; V41-W113 HydrophobicContact CG1-CH2 4.34Å; V41-W113 HydrophobicContact CG1-CZ3 4.03Å; V41-F300 HydrophobicContact CB-CB 4.28Å; V41-F300 HydrophobicContact CG2-CB 4.43Å
42	G	98.9	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.			trans	-114.5	167.9	169.6	0	0	0	0	0	110.2	W44 S266 G269	G42-W44 VanDerWaalsContact C-N 3.28Å; G42-W44 PolarHBondContact O-N 2.76Å; G42-S266 WeakPolarHBondContact CA-O 3.39Å; G42-S266 PolarHBondContact N-O 2.97Å; G42-G269 WeakPolarHBondContact O-CA 3.33Å; G42-G269 PolarHBondContact O-N 3.45Å
43	D	98.9	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	60.3	43.4	159.8	-56.4	-87.5	0	0	0	112	G80 Y84 H214 G248 H249 H251 G267 G269 N270	D43-G80 PolarHBondContact N-O 2.7Å; D43-Y84 WeakPolarHBondContact CA-OH 3.39Å; D43-Y84 WeakPolarHBondContact CB-OH 3.5Å; D43-Y84 PolarHBondContact OD1-OH 3.35Å; D43-Y84 VanDerWaalsContact OD1-OH 3.09Å; D43-H214 IonicContact OD1-CE1 3.74Å; D43-H214 PolarHBondContact OD1-CE1 2.85Å; D43-G248 WeakPolarHBondContact OD2-CA 3.3Å; D43-H249 VanDerWaalsContact CG-N 3.33Å; D43-H249 VanDerWaalsContact OD1-CA 3.3Å; D43-H249 WeakPolarHBondContact OD1-CA 3.47Å; D43-H249 PolarHBondContact OD1-N 3.11Å; D43-H249 PolarHBondContact OD2-N 2.86Å; D43-H251 IonicContact OD1-CD2 3.3Å; D43-H251 IonicContact OD1-NE2 3.96Å; D43-G267 WeakPolarHBondContact CB-O 3.32Å; D43-G267 WeakPolarHBondContact OD2-CA 3.32Å; D43-G269 CarbonylContact O-C 3.58Å; D43-N270 WeakPolarHBondContact O-CB 3.31Å; D43-N270 PolarHBondContact O-N 3.39Å
44	W	98.9	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.			trans	-107.6	1.2	-169.8	54.3	-93.5	0	0	0	112.7	V41 G42 G46 Q57 A78 N82 F83 F100 Y104 W139	V41-W44 HydrophobicContact CG2-CB 4.16Å; V41-W44 HydrophobicContact CG2-CG 4.47Å; G42-W44 VanDerWaalsContact C-N 3.28Å; G42-W44 PolarHBondContact O-N 2.76Å; W44-G46 PolarHBondContact O-N 2.95Å; W44-Q57 VanDerWaalsContact O-CG 3.27Å; W44-Q57 WeakPolarHBondContact O-CG 3.31Å; W44-Q57 PolarHBondContact O-NE2 3.35Å; W44-A78 HydrophobicContact CZ2-CB 4.23Å; W44-N82 HydrophobicContact CH2-CB 3.75Å; W44-N82 WeakPolarHBondContact CH2-O 3.23Å; W44-N82 HydrophobicContact CZ2-CB 3.5Å; W44-N82 VanDerWaalsContact CZ2-CB 3.5Å; W44-N82 VanDerWaalsContact CZ2-OD1 3.29Å; W44-N82 WeakPolarHBondContact CZ2-OD1 3.29Å; W44-N82 VanDerWaalsContact CZ3-O 3.3Å; W44-N82 WeakPolarHBondContact CZ3-O 3.42Å; W44-N82 PolarHBondContact NE1-OD1 2.84Å; W44-F83 HydrophobicContact CH2-CZ 4.39Å; W44-F100 HydrophobicContact CH2-CB 4.35Å; W44-F100 AromaticContact CH2-CD2 3.91Å; W44-F100 HydrophobicContact CH2-CD2 3.91Å; W44-F100 HydrophobicContact CH2-CG 4.43Å; W44-F100 HydrophobicContact CZ3-CB 4.12Å; W44-F100 HydrophobicContact CZ3-CD2 4.02Å; W44-Y104 WeakPolarHBondContact CB-OH 3.4Å; W44-Y104 HydrophobicContact CD2-CE2 4.47Å; W44-Y104 AromaticContact CE3-CE2 3.78Å; W44-Y104 HydrophobicContact CE3-CE2 3.78Å; W44-Y104 HydrophobicContact CZ3-CE2 4.13Å; W44-W139 HydrophobicContact CH2-CH2 4.05Å; W44-W139 AromaticContact CH2-CZ3 3.8Å; W44-W139 HydrophobicContact CH2-CZ3 3.8Å; W44-W139 HydrophobicContact CZ2-CH2 4.23Å; W44-W139 HydrophobicContact CZ2-CZ3 4.13Å
45	G	98.6	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.184	C	C	.	.			trans	-74.7	29.9	-162	0	0	0	0	0	118.8	D81 N82 Y84 R95 T99	G45-D81 WeakPolarHBondContact CA-O 3.39Å; G45-D81 PolarHBondContact N-O 3Å; G45-D81 VanDerWaalsContact N-O 3.16Å; G45-N82 VanDerWaalsContact CA-C 3.43Å; G45-N82 WeakPolarHBondContact CA-O 3.41Å; G45-Y84 PolarHBondContact O-N 2.91Å; G45-R95 PolarHBondContact O-NH2 3.26Å; G45-T99 VanDerWaalsContact C-CG2 3.45Å; G45-T99 WeakPolarHBondContact O-CG2 3.32Å
46	G	98.6	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.			trans	56.4	-136.9	171.7	0	0	0	0	0	113.9	W44 N270	W44-G46 PolarHBondContact O-N 2.95Å; G46-N270 VanDerWaalsContact CA-OD1 3.23Å; G46-N270 WeakPolarHBondContact CA-OD1 3.11Å; G46-N270 PolarHBondContact N-OD1 3.36Å; G46-N270 PolarHBondContact O-ND2 3.09Å
47	L	98.3	Very high	97.9	Very high	50 Å²	50	33.9 Å²	33.9	26%	0.262	19%	0.193	S	C	.	.			trans	-136.1	158.1	177.4	-71.4	174.4	0	0	0	110.9	T49 Y52 T54 F85 R95 F271	L47-T49 PolarHBondContact O-N 3.44Å; L47-Y52 PolarHBondContact N-O 3.12Å; L47-Y52 VanDerWaalsContact O-CA 3.23Å; L47-Y52 WeakPolarHBondContact O-CA 3.18Å; L47-T54 HydrophobicContact CD1-CG2 3.88Å; L47-T54 HydrophobicContact CG-CG2 3.76Å; L47-F85 HydrophobicContact CD2-CE2 3.97Å; L47-F85 HydrophobicContact CD2-CZ 4.16Å; L47-R95 PolarHBondContact O-NH2 2.91Å; L47-F271 HydrophobicContact CD2-CE1 4.38Å; L47-F271 HydrophobicContact CD2-CZ 3.92Å
48	P	96.8	Very high	97.9	Very high	59 Å²	59	32.5 Å²	32.5	38%	0.383	19%	0.194	S	C	.	.	S	Bend	trans	-80.3	-1.6	178.8	33.6	-37.6	0	0	0	114.1	Y52 F85	P48-Y52 VanDerWaalsContact O-CE1 3.22Å; P48-Y52 WeakPolarHBondContact O-CE1 3.45Å; P48-F85 HydrophobicContact CG-CD2 3.94Å
49	T	95.3	Very high	97.9	Very high	93 Å²	93	34.9 Å²	34.9	57%	0.571	21%	0.206	S	C	*	.	S	Bend	trans	-117.3	141.8	-179.8	53.8	0	0	0	0	110.4	L47 Y52	L47-T49 PolarHBondContact O-N 3.44Å; T49-Y52 WeakPolarHBondContact O-CA 3.47Å; T49-Y52 PolarHBondContact O-N 2.78Å
50	S	91.9	Very high	97.9	Very high	93 Å²	93	34.9 Å²	34.9	65%	0.65	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.8	130.8	174	176.7	0	0	0	0	111.5
51	P	95.8	Very high	97.9	Very high	88 Å²	88	35.1 Å²	35.1	57%	0.571	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.4	15.6	12.4	35.6	-37.2	0	0	0	115.6	V53	P51-V53 HydrophobicContact CB-CG2 4.14Å; P51-V53 HydrophobicContact CG-CG2 3.91Å; P51-V53 PolarHBondContact O-N 2.8Å
52	Y	97.6	Very high	97.9	Very high	60 Å²	60	41 Å²	41	24%	0.235	24%	0.236	C	C	.	.			trans	64.2	14.6	178.3	-49.1	-82.9	0	0	0	116.2	L47 P48 T49 R95 E98 T99	L47-Y52 PolarHBondContact N-O 3.12Å; L47-Y52 VanDerWaalsContact O-CA 3.23Å; L47-Y52 WeakPolarHBondContact O-CA 3.18Å; P48-Y52 VanDerWaalsContact O-CE1 3.22Å; P48-Y52 WeakPolarHBondContact O-CE1 3.45Å; T49-Y52 WeakPolarHBondContact O-CA 3.47Å; T49-Y52 PolarHBondContact O-N 2.78Å; Y52-R95 VanDerWaalsContact CD1-CD 3.49Å; Y52-E98 HydrophobicContact CD2-CB 4.02Å; Y52-E98 VanDerWaalsContact CD2-CD 3.42Å; Y52-E98 HydrophobicContact CD2-CG 4.26Å; Y52-E98 WeakPolarHBondContact CD2-OE2 3.36Å; Y52-E98 VanDerWaalsContact CE2-CD 3.47Å; Y52-E98 WeakPolarHBondContact CE2-OE2 3.34Å; Y52-E98 HydrophobicContact CG-CB 4.37Å; Y52-T99 PolarHBondContact O-OG1 2.85Å
53	V	98.4	Very high	97.9	Very high	31 Å²	31	42 Å²	42	19%	0.188	24%	0.241	C	C	.	.			trans	-136.8	165.1	-178	-58.9	0	0	0	0	109.9	P51 T58 E98 V103	P51-V53 HydrophobicContact CB-CG2 4.14Å; P51-V53 HydrophobicContact CG-CG2 3.91Å; P51-V53 PolarHBondContact O-N 2.8Å; V53-T58 HydrophobicContact CB-CG2 4.29Å; V53-T58 HydrophobicContact CG2-CG2 4.26Å; V53-E98 WeakPolarHBondContact CG1-O 3.35Å; V53-V103 HydrophobicContact CG1-CG2 3.44Å; V53-V103 VanDerWaalsContact CG1-CG2 3.44Å
54	T	98.6	Very high	97.9	Very high	18 Å²	18	42 Å²	42	11%	0.11	24%	0.241	C	C	.	.			trans	-118.7	169	171	64.8	0	0	0	0	111.1	L47 E56 Q57 T58 N270	L47-T54 HydrophobicContact CD1-CG2 3.88Å; L47-T54 HydrophobicContact CG-CG2 3.76Å; T54-E56 VanDerWaalsContact C-N 3.3Å; T54-Q57 VanDerWaalsContact OG1-CB 3.28Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.36Å; T54-Q57 PolarHBondContact OG1-N 3.25Å; T54-T58 WeakPolarHBondContact O-CG2 3.28Å; T54-T58 PolarHBondContact O-N 3.21Å; T54-T58 PolarHBondContact O-OG1 3.19Å; T54-N270 WeakPolarHBondContact CB-OD1 3.02Å; T54-N270 WeakPolarHBondContact CG2-OD1 3.3Å; T54-N270 PolarHBondContact OG1-OD1 3.08Å
55	T	98.1	Very high	97.9	Very high	87 Å²	87	42.1 Å²	42.1	53%	0.534	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-39.8	173.8	-59.6	0	0	0	0	110	T58 L59	T55-T58 WeakPolarHBondContact CA-OG1 3.07Å; T55-T58 PolarHBondContact O-N 2.78Å; T55-T58 PolarHBondContact O-OG1 3.01Å; T55-L59 HydrophobicContact CG2-CD1 3.82Å; T55-L59 HydrophobicContact CG2-CG 4.27Å; T55-L59 WeakPolarHBondContact O-CB 3.48Å; T55-L59 VanDerWaalsContact O-CG 3.3Å; T55-L59 WeakPolarHBondContact O-CG 3.45Å; T55-L59 PolarHBondContact O-N 3.26Å
56	E	98.6	Very high	97.9	Very high	46 Å²	46	45.3 Å²	45.3	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-44.1	179.7	-69.1	63.5	-148.4	0	0	111.4	T54 T60 N270 L272 K297	T54-E56 VanDerWaalsContact C-N 3.3Å; E56-T60 WeakPolarHBondContact O-CB 3.38Å; E56-T60 PolarHBondContact O-N 2.86Å; E56-T60 PolarHBondContact O-OG1 2.95Å; E56-N270 WeakPolarHBondContact CB-O 3.32Å; E56-L272 HydrophobicContact CB-CD1 4.4Å; E56-L272 HydrophobicContact CG-CD1 3.59Å; E56-K297 VanDerWaalsContact CA-O 3.29Å; E56-K297 WeakPolarHBondContact CA-O 3.38Å
57	Q	98.8	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-46.8	175.4	-171.3	-163.2	17.7	0	0	111.9	W44 T54 T60 A61 T99 V103 G269	W44-Q57 VanDerWaalsContact O-CG 3.27Å; W44-Q57 WeakPolarHBondContact O-CG 3.31Å; W44-Q57 PolarHBondContact O-NE2 3.35Å; T54-Q57 VanDerWaalsContact OG1-CB 3.28Å; T54-Q57 WeakPolarHBondContact OG1-CB 3.36Å; T54-Q57 PolarHBondContact OG1-N 3.25Å; Q57-T60 PolarHBondContact O-N 3.44Å; Q57-A61 WeakPolarHBondContact O-CB 3.38Å; Q57-A61 PolarHBondContact O-N 2.67Å; Q57-T99 PolarHBondContact NE2-O 3.11Å; Q57-V103 HydrophobicContact CG-CG1 4.1Å; Q57-G269 VanDerWaalsContact CA-O 3.27Å; Q57-G269 WeakPolarHBondContact CA-O 3.37Å
58	T	98.6	Very high	97.9	Very high	58 Å²	58	43.2 Å²	43.2	36%	0.356	25%	0.248	S	C	.	.	H	α-helix	trans	-67.9	-41	-177.2	50.5	0	0	0	0	112.1	V53 T54 T55 A61 Q62	V53-T58 HydrophobicContact CB-CG2 4.29Å; V53-T58 HydrophobicContact CG2-CG2 4.26Å; T54-T58 WeakPolarHBondContact O-CG2 3.28Å; T54-T58 PolarHBondContact O-N 3.21Å; T54-T58 PolarHBondContact O-OG1 3.19Å; T55-T58 WeakPolarHBondContact CA-OG1 3.07Å; T55-T58 PolarHBondContact O-N 2.78Å; T55-T58 PolarHBondContact O-OG1 3.01Å; T58-A61 PolarHBondContact O-N 3.41Å; T58-Q62 PolarHBondContact O-N 3.13Å
59	L	98.6	Very high	97.9	Very high	49 Å²	49	41.8 Å²	41.8	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-42.6	173.2	-69.8	174.7	0	0	0	111.7	T55 A61 Q62 E63 K297 A317	T55-L59 HydrophobicContact CG2-CD1 3.82Å; T55-L59 HydrophobicContact CG2-CG 4.27Å; T55-L59 WeakPolarHBondContact O-CB 3.48Å; T55-L59 VanDerWaalsContact O-CG 3.3Å; T55-L59 WeakPolarHBondContact O-CG 3.45Å; T55-L59 PolarHBondContact O-N 3.26Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 2.94Å; L59-Q62 PolarHBondContact O-N 2.86Å; L59-E63 PolarHBondContact O-N 3.5Å; L59-K297 HydrophobicContact CD1-CB 3.83Å; L59-K297 HydrophobicContact CD1-CG 4.14Å; L59-A317 HydrophobicContact CB-CB 4Å
60	T	98.8	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-45.7	175.3	-61.7	0	0	0	0	110.9	E56 Q57 Q62 E63 M64 F300	E56-T60 WeakPolarHBondContact O-CB 3.38Å; E56-T60 PolarHBondContact O-N 2.86Å; E56-T60 PolarHBondContact O-OG1 2.95Å; Q57-T60 PolarHBondContact O-N 3.44Å; T60-Q62 PolarHBondContact O-N 3.25Å; T60-E63 PolarHBondContact O-N 2.94Å; T60-M64 HydrophobicContact CG2-CG 4.33Å; T60-M64 HydrophobicContact CG2-SD 4.1Å; T60-M64 WeakPolarHBondContact O-CB 3.36Å; T60-M64 VanDerWaalsContact O-CG 3.23Å; T60-M64 WeakPolarHBondContact O-CG 3.44Å; T60-M64 PolarHBondContact O-N 3.08Å; T60-F300 HydrophobicContact CG2-CD1 3.99Å
61	A	98.8	Very high	98.2	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-40.9	177.2	0	0	0	0	0	112.8	Q57 T58 L59 G65 V103 Y104 L109	Q57-A61 WeakPolarHBondContact O-CB 3.38Å; Q57-A61 PolarHBondContact O-N 2.67Å; T58-A61 PolarHBondContact O-N 3.41Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 2.94Å; A61-G65 PolarHBondContact O-N 2.91Å; A61-G65 VanDerWaalsContact O-N 3.1Å; A61-V103 HydrophobicContact CB-CG1 3.67Å; A61-Y104 HydrophobicContact CB-CD1 3.47Å; A61-Y104 VanDerWaalsContact CB-CD1 3.47Å; A61-Y104 HydrophobicContact CB-CE1 3.43Å; A61-Y104 VanDerWaalsContact CB-CE1 3.43Å; A61-Y104 HydrophobicContact CB-CG 4.33Å; A61-L109 WeakPolarHBondContact O-CD1 3.17Å
62	Q	98.7	Very high	98.3	Very high	123 Å²	123	40.1 Å²	40.1	58%	0.575	22%	0.22	S	C	*	.	H	α-helix	trans	-61.2	-48	175.3	-179.3	177.7	-5	0	0	110.8	T58 L59 T60 G65 N66	T58-Q62 PolarHBondContact O-N 3.13Å; L59-Q62 PolarHBondContact O-N 2.86Å; T60-Q62 PolarHBondContact O-N 3.25Å; Q62-G65 WeakPolarHBondContact O-CA 3.38Å; Q62-G65 PolarHBondContact O-N 2.77Å; Q62-G65 VanDerWaalsContact O-N 3.08Å; Q62-N66 PolarHBondContact O-N 3.06Å
63	E	98.8	Very high	98.3	Very high	22 Å²	22	38 Å²	38	10%	0.103	22%	0.215	C	C	.	.	H	α-helix	trans	-72.7	-35.4	-176.6	-171.7	52.8	-153.7	0	0	113	L59 T60 G65 N66 V67 F300 A317 G319	L59-E63 PolarHBondContact O-N 3.5Å; T60-E63 PolarHBondContact O-N 2.94Å; E63-G65 PolarHBondContact O-N 3.39Å; E63-N66 PolarHBondContact O-N 3.31Å; E63-N66 VanDerWaalsContact O-N 3.11Å; E63-N66 PolarHBondContact OE2-ND2 3.12Å; E63-V67 HydrophobicContact CG-CG2 4.44Å; E63-V67 WeakPolarHBondContact O-CG2 3.3Å; E63-V67 PolarHBondContact O-N 3.25Å; E63-V67 WeakPolarHBondContact OE1-CG2 3.47Å; E63-F300 HydrophobicContact CB-CE1 4.04Å; E63-F300 HydrophobicContact CG-CE1 3.94Å; E63-F300 HydrophobicContact CG-CZ 4.18Å; E63-A317 WeakPolarHBondContact CB-O 3.38Å; E63-G319 VanDerWaalsContact OE1-CA 3.3Å; E63-G319 WeakPolarHBondContact OE1-CA 3.42Å
64	M	98.8	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-53.4	-43	166.1	-74.7	175.7	71.2	0	0	110.8	L39 V41 T60 A68 I76 Y104 L109 W113 F300	L39-M64 HydrophobicContact CB-CE 4.19Å; L39-M64 HydrophobicContact CD1-CB 3.77Å; L39-M64 HydrophobicContact CD1-CE 3.78Å; L39-M64 HydrophobicContact CD1-CG 4.05Å; V41-M64 HydrophobicContact CB-CE 4.32Å; V41-M64 HydrophobicContact CB-SD 4.3Å; V41-M64 HydrophobicContact CG1-CE 3.81Å; V41-M64 HydrophobicContact CG1-SD 4.2Å; V41-M64 HydrophobicContact CG2-SD 4.36Å; T60-M64 HydrophobicContact CG2-CG 4.33Å; T60-M64 HydrophobicContact CG2-SD 4.1Å; T60-M64 WeakPolarHBondContact O-CB 3.36Å; T60-M64 VanDerWaalsContact O-CG 3.23Å; T60-M64 WeakPolarHBondContact O-CG 3.44Å; T60-M64 PolarHBondContact O-N 3.08Å; M64-A68 WeakPolarHBondContact O-CB 3.33Å; M64-A68 PolarHBondContact O-N 3.02Å; M64-I76 HydrophobicContact CE-CD1 4.03Å; M64-I76 HydrophobicContact CE-CG2 4Å; M64-Y104 HydrophobicContact SD-CD1 4.46Å; M64-Y104 HydrophobicContact SD-CE1 3.97Å; M64-L109 HydrophobicContact CB-CD1 4.03Å; M64-L109 HydrophobicContact CB-CD2 3.99Å; M64-W113 HydrophobicContact CE-CH2 3.91Å; M64-W113 HydrophobicContact CE-CZ2 4.21Å; M64-F300 VanDerWaalsContact CA-CZ 3.48Å; M64-F300 HydrophobicContact CB-CE1 4.36Å; M64-F300 HydrophobicContact CB-CE2 4.48Å; M64-F300 HydrophobicContact CB-CZ 4.25Å; M64-F300 HydrophobicContact CG-CB 4.4Å; M64-F300 HydrophobicContact CG-CD1 3.56Å; M64-F300 HydrophobicContact CG-CD2 3.84Å; M64-F300 HydrophobicContact CG-CE1 3.65Å; M64-F300 HydrophobicContact CG-CE2 3.92Å; M64-F300 HydrophobicContact CG-CG 3.66Å; M64-F300 HydrophobicContact CG-CZ 3.83Å
65	G	98.8	Very high	98.3	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-40	176.7	0	0	0	0	0	113.5	A61 Q62 E63 G69	A61-G65 PolarHBondContact O-N 2.91Å; A61-G65 VanDerWaalsContact O-N 3.1Å; Q62-G65 WeakPolarHBondContact O-CA 3.38Å; Q62-G65 PolarHBondContact O-N 2.77Å; Q62-G65 VanDerWaalsContact O-N 3.08Å; E63-G65 PolarHBondContact O-N 3.39Å; G65-G69 PolarHBondContact O-N 3.16Å
66	N	98.6	Very high	98.3	Very high	67 Å²	67	33 Å²	33	36%	0.358	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-50.8	176.2	-67	-25.3	0	0	0	111.2	Q62 E63 G69 Q70	Q62-N66 PolarHBondContact O-N 3.06Å; E63-N66 PolarHBondContact O-N 3.31Å; E63-N66 VanDerWaalsContact O-N 3.11Å; E63-N66 PolarHBondContact OE2-ND2 3.12Å; N66-G69 PolarHBondContact O-N 3.41Å; N66-G69 VanDerWaalsContact O-N 3.13Å; N66-Q70 WeakPolarHBondContact O-CG 3.26Å; N66-Q70 PolarHBondContact O-N 2.8Å
67	V	98.6	Very high	98.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-45.8	178.9	170.6	0	0	0	0	110.8	L39 E63 G69 Q70 M71 F300 H302 F315	L39-V67 HydrophobicContact CD2-CG1 4.18Å; E63-V67 HydrophobicContact CG-CG2 4.44Å; E63-V67 WeakPolarHBondContact O-CG2 3.3Å; E63-V67 PolarHBondContact O-N 3.25Å; E63-V67 WeakPolarHBondContact OE1-CG2 3.47Å; V67-G69 VanDerWaalsContact C-N 3.26Å; V67-G69 PolarHBondContact O-N 2.8Å; V67-Q70 PolarHBondContact O-N 3.02Å; V67-M71 HydrophobicContact CG1-CB 4.4Å; V67-M71 HydrophobicContact CG1-CG 4.38Å; V67-M71 HydrophobicContact CG1-SD 3.88Å; V67-M71 WeakPolarHBondContact O-CA 3.49Å; V67-M71 WeakPolarHBondContact O-CB 3.29Å; V67-M71 PolarHBondContact O-N 3.39Å; V67-F300 HydrophobicContact CB-CE2 4.07Å; V67-F300 HydrophobicContact CB-CZ 3.94Å; V67-F300 HydrophobicContact CG1-CE2 4.12Å; V67-F300 HydrophobicContact CG1-CZ 4.46Å; V67-F300 HydrophobicContact CG2-CE2 4.19Å; V67-F300 HydrophobicContact CG2-CZ 3.72Å; V67-H302 HydrophobicContact CG1-CB 4.17Å; V67-F315 HydrophobicContact CG1-CD2 4.45Å; V67-F315 HydrophobicContact CG1-CE2 4.1Å; V67-F315 HydrophobicContact CG1-CZ 4.33Å; V67-F315 HydrophobicContact CG2-CD1 3.9Å; V67-F315 HydrophobicContact CG2-CD2 4.36Å; V67-F315 HydrophobicContact CG2-CE1 3.96Å; V67-F315 HydrophobicContact CG2-CE2 4.4Å; V67-F315 HydrophobicContact CG2-CG 4.12Å; V67-F315 HydrophobicContact CG2-CZ 4.21Å
68	A	98.4	Very high	98.4	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-34.6	175.3	0	0	0	0	0	112.2	L39 M64 G72 A73 L109	L39-A68 HydrophobicContact CD1-CB 4.26Å; M64-A68 WeakPolarHBondContact O-CB 3.33Å; M64-A68 PolarHBondContact O-N 3.02Å; A68-G72 WeakPolarHBondContact O-CA 3.47Å; A68-G72 PolarHBondContact O-N 2.79Å; A68-A73 HydrophobicContact CB-CB 3.86Å; A68-L109 HydrophobicContact CB-CD2 4Å
69	G	97.9	Very high	98.4	Very high	30 Å²	30	28 Å²	28	31%	0.309	16%	0.155	S	C	.	.	H	α-helix	trans	-69.4	-33.8	175.4	0	0	0	0	0	114.2	G65 N66 V67 Y108	G65-G69 PolarHBondContact O-N 3.16Å; N66-G69 PolarHBondContact O-N 3.41Å; N66-G69 VanDerWaalsContact O-N 3.13Å; V67-G69 VanDerWaalsContact C-N 3.26Å; V67-G69 PolarHBondContact O-N 2.8Å; G69-Y108 VanDerWaalsContact CA-CG 3.49Å
70	Q	97.1	Very high	98.4	Very high	159 Å²	159	25.7 Å²	25.7	74%	0.743	14%	0.143	S	C	*	.	H	α-helix	trans	-89.4	-44.5	-177.7	-67.4	175.2	20.2	0	0	112.7	N66 V67	N66-Q70 WeakPolarHBondContact O-CG 3.26Å; N66-Q70 PolarHBondContact O-N 2.8Å; V67-Q70 PolarHBondContact O-N 3.02Å
71	M	96.7	Very high	98.4	Very high	56 Å²	56	25.7 Å²	25.7	28%	0.276	14%	0.143	S	C	.	.	H	α-helix	trans	-101.8	-17.6	-173.4	-59.4	-178.3	68.2	0	0	112.3	R37 V67 F315	R37-M71 WeakPolarHBondContact CD-O 3.28Å; R37-M71 PolarHBondContact NE-O 2.9Å; R37-M71 PolarHBondContact NH1-O 3.33Å; V67-M71 HydrophobicContact CG1-CB 4.4Å; V67-M71 HydrophobicContact CG1-CG 4.38Å; V67-M71 HydrophobicContact CG1-SD 3.88Å; V67-M71 WeakPolarHBondContact O-CA 3.49Å; V67-M71 WeakPolarHBondContact O-CB 3.29Å; V67-M71 PolarHBondContact O-N 3.39Å; M71-F315 HydrophobicContact CE-CZ 4.49Å; M71-F315 HydrophobicContact SD-CE2 4.13Å; M71-F315 HydrophobicContact SD-CZ 3.63Å
72	G	97	Very high	98.4	Very high	24 Å²	24	25.5 Å²	25.5	25%	0.247	14%	0.141	C	C	.	.			trans	82.7	146.3	-174.2	0	0	0	0	0	112.7	R37 A68 H302	R37-G72 WeakPolarHBondContact CB-O 3.5Å; A68-G72 WeakPolarHBondContact O-CA 3.47Å; A68-G72 PolarHBondContact O-N 2.79Å; G72-H302 PolarHBondContact O-NE2 2.9Å
73	A	97.8	Very high	98.4	Very high	16 Å²	16	19.6 Å²	19.6	13%	0.132	11%	0.114	C	C	.	.			trans	-146	130.1	168.7	0	0	0	0	0	108.5	R37 L39 A68	R37-A73 CarbonylContact O-C 3.53Å; L39-A73 HydrophobicContact CG-CB 4.05Å; A68-A73 HydrophobicContact CB-CB 3.86Å
74	D	98	Very high	98.4	Very high	28 Å²	28	18.6 Å²	18.6	15%	0.15	11%	0.109	C	C	.	.	S	Bend	trans	-90	-28.6	175.7	-60	-66.5	0	0	0	112.5	L26 R33 R37 P112	L26-D74 HydrophobicContact CD1-CB 3.77Å; L26-D74 HydrophobicContact CD2-CB 4.3Å; R33-D74 IonicContact CZ-OD1 3.97Å; R33-D74 IonicContact CZ-OD2 2.69Å; R33-D74 IonicContact NH1-OD1 3.64Å; R33-D74 PolarHBondContact NH1-OD1 3.21Å; R33-D74 IonicContact NH2-OD1 3.75Å; R33-D74 PolarHBondContact NH2-OD1 2.91Å; R33-D74 IonicContact NH2-OD2 3.2Å; R33-D74 PolarHBondContact NH2-OD2 3.29Å; R37-D74 PolarHBondContact N-OD2 3.5Å; R37-D74 WeakPolarHBondContact O-CB 3.38Å; R37-D74 PolarHBondContact O-N 3.3Å; R37-D74 VanDerWaalsContact O-OD2 3.07Å; D74-P112 WeakPolarHBondContact O-CD 3.28Å
75	F	98.8	Very high	98.4	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	174.3	177.3	59.6	-95.7	0	0	0	110	I36 F38 L39 L77 P112 Y114 F150 I161	I36-F75 HydrophobicContact CG2-CE1 3.61Å; I36-F75 HydrophobicContact CG2-CZ 4.19Å; F38-F75 VanDerWaalsContact CA-O 3.23Å; F38-F75 WeakPolarHBondContact CA-O 3.36Å; F38-F75 HydrophobicContact CB-CD1 4.25Å; F38-F75 HydrophobicContact CB-CD2 3.48Å; F38-F75 VanDerWaalsContact CB-CD2 3.48Å; F38-F75 HydrophobicContact CB-CE1 4.09Å; F38-F75 HydrophobicContact CB-CE2 3.28Å; F38-F75 HydrophobicContact CB-CG 3.97Å; F38-F75 HydrophobicContact CB-CZ 3.61Å; F38-F75 VanDerWaalsContact CB-O 3.23Å; F38-F75 WeakPolarHBondContact CB-O 3.44Å; F38-F75 HydrophobicContact CD1-CE1 4.26Å; F38-F75 AromaticContact CD1-CE2 3.79Å; F38-F75 HydrophobicContact CD1-CE2 3.79Å; F38-F75 AromaticContact CD1-CZ 3.47Å; F38-F75 HydrophobicContact CD1-CZ 3.47Å; F38-F75 VanDerWaalsContact CD1-CZ 3.47Å; F38-F75 AromaticContact CD2-CE2 3.76Å; F38-F75 HydrophobicContact CD2-CE2 3.76Å; F38-F75 HydrophobicContact CD2-CZ 4.3Å; F38-F75 HydrophobicContact CE1-CZ 4.17Å; F38-F75 HydrophobicContact CG-CD2 4.07Å; F38-F75 HydrophobicContact CG-CE1 4.41Å; F38-F75 AromaticContact CG-CE2 3.35Å; F38-F75 HydrophobicContact CG-CE2 3.35Å; F38-F75 AromaticContact CG-CZ 3.55Å; F38-F75 HydrophobicContact CG-CZ 3.55Å; L39-F75 PolarHBondContact N-O 3.28Å; F75-L77 HydrophobicContact CD2-CD2 3.85Å; F75-L77 HydrophobicContact CD2-CG 4.27Å; F75-L77 HydrophobicContact CE2-CD2 3.68Å; F75-L77 HydrophobicContact CE2-CG 3.97Å; F75-P112 CarbonylContact C-O 3.58Å; F75-P112 WeakPolarHBondContact CA-O 3.45Å; F75-P112 HydrophobicContact CB-CB 4.37Å; F75-P112 VanDerWaalsContact CB-O 3.29Å; F75-P112 WeakPolarHBondContact CB-O 3.21Å; F75-Y114 HydrophobicContact CB-CD2 3.87Å; F75-Y114 HydrophobicContact CB-CE2 3.69Å; F75-Y114 HydrophobicContact CD1-CE2 4.35Å; F75-Y114 AromaticContact CD2-CD2 3.81Å; F75-Y114 HydrophobicContact CD2-CD2 3.81Å; F75-Y114 HydrophobicContact CD2-CE2 4.15Å; F75-Y114 AromaticContact CG-CD2 3.94Å; F75-Y114 HydrophobicContact CG-CD2 3.94Å; F75-Y114 AromaticContact CG-CE2 3.83Å; F75-Y114 HydrophobicContact CG-CE2 3.83Å; F75-F150 HydrophobicContact CD1-CZ 4.24Å; F75-F150 HydrophobicContact CE1-CD2 4.47Å; F75-F150 HydrophobicContact CE1-CE1 4.33Å; F75-F150 AromaticContact CE1-CE2 4Å; F75-F150 HydrophobicContact CE1-CE2 4Å; F75-F150 AromaticContact CE1-CZ 3.93Å; F75-F150 HydrophobicContact CE1-CZ 3.93Å; F75-F150 HydrophobicContact CZ-CE2 4.01Å; F75-F150 HydrophobicContact CZ-CZ 4.29Å; F75-I161 HydrophobicContact CE2-CD1 3.97Å; F75-I161 HydrophobicContact CZ-CD1 3.85Å
76	I	98.9	Very high	98.3	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	-128.4	135	178	-61.3	174.1	0	0	0	107.8	L39 V41 M64 L109 V111 P112 W113 Y114	L39-I76 HydrophobicContact CB-CG1 4.11Å; L39-I76 HydrophobicContact CB-CG2 4.41Å; L39-I76 HydrophobicContact CD1-CD1 4.37Å; L39-I76 HydrophobicContact CD1-CG1 4.47Å; L39-I76 HydrophobicContact CG-CG1 4.46Å; L39-I76 CarbonylContact O-C 3.43Å; L39-I76 WeakPolarHBondContact O-CA 3.35Å; V41-I76 HydrophobicContact CG1-CG2 4.13Å; M64-I76 HydrophobicContact CE-CD1 4.03Å; M64-I76 HydrophobicContact CE-CG2 4Å; I76-L109 HydrophobicContact CD1-CB 4.31Å; I76-L109 HydrophobicContact CD1-CD2 3.68Å; I76-V111 HydrophobicContact CD1-CG2 4.03Å; I76-V111 HydrophobicContact CG1-CG2 3.97Å; I76-P112 PolarHBondContact N-O 3.21Å; I76-W113 HydrophobicContact CB-CD2 3.93Å; I76-W113 HydrophobicContact CB-CE3 4.36Å; I76-W113 HydrophobicContact CB-CG 4.12Å; I76-W113 HydrophobicContact CD1-CD2 4.22Å; I76-W113 VanDerWaalsContact CD1-CE2 3.41Å; I76-W113 HydrophobicContact CD1-CH2 4.36Å; I76-W113 HydrophobicContact CD1-CZ2 3.48Å; I76-W113 VanDerWaalsContact CD1-CZ2 3.48Å; I76-W113 HydrophobicContact CG2-CD2 3.83Å; I76-W113 HydrophobicContact CG2-CE3 3.77Å; I76-W113 HydrophobicContact CG2-CG 4.5Å; I76-W113 HydrophobicContact CG2-CH2 4.07Å; I76-W113 HydrophobicContact CG2-CZ2 4.14Å; I76-W113 HydrophobicContact CG2-CZ3 3.9Å; I76-W113 CarbonylContact O-C 3.38Å; I76-W113 WeakPolarHBondContact O-CA 3.28Å; I76-Y114 PolarHBondContact O-N 3.37Å
77	L	98.9	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.9	168.5	-58.1	-173.9	0	0	0	108.8	F38 L39 V40 V41 F75 L79 Y114 I161 M163	F38-L77 HydrophobicContact CD2-CD1 4.04Å; F38-L77 HydrophobicContact CD2-CG 4.05Å; F38-L77 HydrophobicContact CE2-CD1 3.77Å; F38-L77 HydrophobicContact CE2-CG 4.3Å; L39-L77 PolarHBondContact O-N 2.97Å; V40-L77 WeakPolarHBondContact CA-O 3.33Å; V40-L77 HydrophobicContact CG1-CB 4.41Å; V40-L77 HydrophobicContact CG2-CB 4.4Å; V40-L77 HydrophobicContact CG2-CD1 4.33Å; V41-L77 PolarHBondContact N-O 3.36Å; F75-L77 HydrophobicContact CD2-CD2 3.85Å; F75-L77 HydrophobicContact CD2-CG 4.27Å; F75-L77 HydrophobicContact CE2-CD2 3.68Å; F75-L77 HydrophobicContact CE2-CG 3.97Å; L77-L79 HydrophobicContact CB-CD2 4.32Å; L77-Y114 WeakPolarHBondContact CA-O 3.34Å; L77-Y114 HydrophobicContact CD2-CD2 4.32Å; L77-I161 HydrophobicContact CD1-CD1 4.18Å; L77-I161 HydrophobicContact CD1-CG2 4.27Å; L77-I161 HydrophobicContact CD2-CD1 4.43Å; L77-M163 HydrophobicContact CD2-CE 4.19Å; L77-M163 HydrophobicContact CD2-SD 4.19Å
78	A	98.9	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.8	173.9	0	0	0	0	0	109.6	V41 W44 G80 W113 Y114 V115 V116	V41-A78 CarbonylContact O-C 3.26Å; V41-A78 VanDerWaalsContact O-CA 3.27Å; V41-A78 WeakPolarHBondContact O-CA 3.46Å; W44-A78 HydrophobicContact CZ2-CB 4.23Å; A78-G80 VanDerWaalsContact C-N 3.32Å; A78-G80 PolarHBondContact O-N 3.13Å; A78-W113 HydrophobicContact CB-CE3 4.05Å; A78-W113 HydrophobicContact CB-CZ3 4.48Å; A78-Y114 PolarHBondContact N-O 2.96Å; A78-V115 HydrophobicContact CB-CB 4.31Å; A78-V115 HydrophobicContact CB-CG1 4.13Å; A78-V115 HydrophobicContact CB-CG2 4.07Å; A78-V116 WeakPolarHBondContact O-CG2 3.42Å; A78-V116 PolarHBondContact O-N 2.83Å
79	L	98.9	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	28.1	-167	-58.6	-176.2	0	0	0	114.5	V40 V41 L77 A212 H214 L246 C247	V40-L79 HydrophobicContact CG1-CD1 3.33Å; V40-L79 HydrophobicContact CG1-CD2 4.28Å; V40-L79 HydrophobicContact CG1-CG 3.84Å; V41-L79 PolarHBondContact O-N 2.97Å; L77-L79 HydrophobicContact CB-CD2 4.32Å; L79-A212 HydrophobicContact CD2-CB 3.93Å; L79-H214 WeakPolarHBondContact O-CA 3.48Å; L79-H214 WeakPolarHBondContact O-CB 3.42Å; L79-H214 PolarHBondContact O-ND1 3.46Å; L79-L246 HydrophobicContact CD1-CB 4.22Å; L79-L246 HydrophobicContact CD2-CB 4.45Å; L79-C247 VanDerWaalsContact CD1-C 3.45Å; L79-C247 VanDerWaalsContact CD1-O 3.28Å; L79-C247 WeakPolarHBondContact CD1-O 3.08Å
80	G	98.8	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	87.4	176.5	178.2	0	0	0	0	0	114.3	D43 A78 N82 V116	D43-G80 PolarHBondContact N-O 2.7Å; A78-G80 VanDerWaalsContact C-N 3.32Å; A78-G80 PolarHBondContact O-N 3.13Å; G80-N82 VanDerWaalsContact C-N 3.3Å; G80-V116 VanDerWaalsContact CA-O 3.24Å; G80-V116 WeakPolarHBondContact CA-O 3.36Å; G80-V116 PolarHBondContact N-O 3.45Å
81	D	98.9	Very high	98.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.145	C	C	.	.			trans	53.1	51.2	-164.6	-73.5	-9.1	0	0	0	111.5	G45 F83 Y84 G118 N119 H120 D121 H214	G45-D81 WeakPolarHBondContact CA-O 3.39Å; G45-D81 PolarHBondContact N-O 3Å; G45-D81 VanDerWaalsContact N-O 3.16Å; D81-F83 VanDerWaalsContact C-N 3.3Å; D81-F83 PolarHBondContact O-N 3.01Å; D81-Y84 HydrophobicContact CB-CE1 3.83Å; D81-Y84 HydrophobicContact CB-CE2 4.29Å; D81-Y84 WeakPolarHBondContact CB-OH 3.46Å; D81-G118 VanDerWaalsContact OD1-C 3.24Å; D81-G118 VanDerWaalsContact OD1-CA 3.31Å; D81-G118 WeakPolarHBondContact OD1-CA 3.4Å; D81-N119 PolarHBondContact OD1-N 3.27Å; D81-N119 PolarHBondContact OD2-OD1 3.25Å; D81-H120 WeakPolarHBondContact OD1-CB 3.36Å; D81-H120 IonicContact OD1-CD2 3.27Å; D81-H120 IonicContact OD1-CG 3.74Å; D81-H120 PolarHBondContact OD1-N 2.89Å; D81-H120 IonicContact OD2-CD2 3.31Å; D81-H120 PolarHBondContact OD2-CD2 2.8Å; D81-H120 VanDerWaalsContact OD2-CD2 3.27Å; D81-D121 VanDerWaalsContact CA-OD2 3.3Å; D81-D121 WeakPolarHBondContact CA-OD2 3.23Å; D81-D121 PolarHBondContact N-OD2 2.85Å; D81-H214 IonicContact OD1-CE1 2.57Å; D81-H214 IonicContact OD1-NE2 3.77Å; D81-H214 IonicContact OD2-CE1 3.98Å; D81-H214 PolarHBondContact OD2-CE1 3.31Å; D81-H214 VanDerWaalsContact OD2-CE1 3.23Å; D81-H214 IonicContact OD2-NE2 3.07Å; D81-H214 PolarHBondContact OD2-NE2 3.38Å
82	N	98.9	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.			trans	-71.6	-27.1	-174.2	-52.9	-45.8	0	0	0	111.8	W44 G45 G80 V115 V116 D121 Q129 W139	W44-N82 HydrophobicContact CH2-CB 3.75Å; W44-N82 WeakPolarHBondContact CH2-O 3.23Å; W44-N82 HydrophobicContact CZ2-CB 3.5Å; W44-N82 VanDerWaalsContact CZ2-CB 3.5Å; W44-N82 VanDerWaalsContact CZ2-OD1 3.29Å; W44-N82 WeakPolarHBondContact CZ2-OD1 3.29Å; W44-N82 VanDerWaalsContact CZ3-O 3.3Å; W44-N82 WeakPolarHBondContact CZ3-O 3.42Å; W44-N82 PolarHBondContact NE1-OD1 2.84Å; G45-N82 VanDerWaalsContact CA-C 3.43Å; G45-N82 WeakPolarHBondContact CA-O 3.41Å; G80-N82 VanDerWaalsContact C-N 3.3Å; N82-V115 WeakPolarHBondContact ND2-CG1 3.38Å; N82-V116 PolarHBondContact ND2-O 2.81Å; N82-D121 WeakPolarHBondContact CB-OD1 3.25Å; N82-D121 PolarHBondContact N-OD1 2.81Å; N82-D121 VanDerWaalsContact N-OD1 3.12Å; N82-D121 PolarHBondContact N-OD2 2.79Å; N82-D121 PolarHBondContact ND2-OD2 2.85Å; N82-Q129 PolarHBondContact ND2-OE1 2.77Å; N82-W139 HydrophobicContact CB-CH2 4.19Å
83	F	98.9	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-143.6	101.9	176.9	-55.6	-80.1	0	0	0	111.9	W44 D81 G87 V88 R95 F96 T99 F100 D121 Q129 W139	W44-F83 HydrophobicContact CH2-CZ 4.39Å; D81-F83 VanDerWaalsContact C-N 3.3Å; D81-F83 PolarHBondContact O-N 3.01Å; F83-G87 VanDerWaalsContact O-CA 3.24Å; F83-G87 WeakPolarHBondContact O-CA 3.42Å; F83-G87 PolarHBondContact O-N 2.84Å; F83-V88 HydrophobicContact CB-CG1 4.3Å; F83-V88 HydrophobicContact CD1-CG1 4.27Å; F83-V88 HydrophobicContact CD2-CG1 3.74Å; F83-V88 HydrophobicContact CE2-CG1 4.12Å; F83-V88 HydrophobicContact CG-CG1 3.82Å; F83-R95 HydrophobicContact CD1-CB 3.87Å; F83-R95 HydrophobicContact CE1-CB 4.21Å; F83-R95 WeakPolarHBondContact CE1-O 3.33Å; F83-F96 HydrophobicContact CE1-CD1 4.41Å; F83-F96 AromaticContact CE2-CD1 3.95Å; F83-F96 HydrophobicContact CE2-CD1 3.95Å; F83-F96 AromaticContact CE2-CE1 3.66Å; F83-F96 HydrophobicContact CE2-CE1 3.66Å; F83-F96 HydrophobicContact CE2-CZ 4.35Å; F83-F96 AromaticContact CZ-CD1 3.48Å; F83-F96 HydrophobicContact CZ-CD1 3.48Å; F83-F96 VanDerWaalsContact CZ-CD1 3.48Å; F83-F96 AromaticContact CZ-CE1 3.72Å; F83-F96 HydrophobicContact CZ-CE1 3.72Å; F83-F96 HydrophobicContact CZ-CG 4.24Å; F83-T99 HydrophobicContact CD1-CG2 4.05Å; F83-T99 HydrophobicContact CE1-CG2 4.31Å; F83-F100 HydrophobicContact CE1-CB 4.42Å; F83-F100 HydrophobicContact CZ-CB 4.44Å; F83-D121 PolarHBondContact N-OD1 2.87Å; F83-Q129 HydrophobicContact CE2-CG 4.37Å; F83-W139 AromaticContact CE2-CH2 3.89Å; F83-W139 HydrophobicContact CE2-CH2 3.89Å; F83-W139 HydrophobicContact CE2-CZ2 4.43Å; F83-W139 HydrophobicContact CZ-CH2 4.18Å; F83-W139 HydrophobicContact CZ-CZ3 4.49Å
84	Y	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	149.7	176	-71.2	-74.6	0	0	0	112.1	D43 G45 D81 R95 H120 H251 N270 F271	D43-Y84 WeakPolarHBondContact CA-OH 3.39Å; D43-Y84 WeakPolarHBondContact CB-OH 3.5Å; D43-Y84 PolarHBondContact OD1-OH 3.35Å; D43-Y84 VanDerWaalsContact OD1-OH 3.09Å; G45-Y84 PolarHBondContact O-N 2.91Å; D81-Y84 HydrophobicContact CB-CE1 3.83Å; D81-Y84 HydrophobicContact CB-CE2 4.29Å; D81-Y84 WeakPolarHBondContact CB-OH 3.46Å; Y84-R95 PolarHBondContact O-NH1 2.92Å; Y84-R95 PolarHBondContact O-NH2 3.02Å; Y84-H120 HydrophobicContact CD1-CB 4.15Å; Y84-H120 AromaticContact CD1-CD2 3.29Å; Y84-H120 WeakPolarHBondContact CD1-CD2 3.27Å; Y84-H120 AromaticContact CD1-CG 3.65Å; Y84-H120 AromaticContact CD1-NE2 3.77Å; Y84-H120 AromaticContact CE1-CD2 3.18Å; Y84-H120 WeakPolarHBondContact CE1-CD2 3.43Å; Y84-H120 AromaticContact CE1-CG 3.98Å; Y84-H120 AromaticContact CE1-NE2 3.7Å; Y84-H251 AromaticContact CZ-NE2 3.78Å; Y84-H251 PolarHBondContact OH-NE2 2.85Å; Y84-N270 HydrophobicContact CE2-CB 4.31Å; Y84-F271 HydrophobicContact CD1-CE2 4.09Å; Y84-F271 HydrophobicContact CD2-CD2 4.41Å; Y84-F271 AromaticContact CD2-CE2 3.76Å; Y84-F271 HydrophobicContact CD2-CE2 3.76Å; Y84-F271 HydrophobicContact CE1-CD2 4.36Å; Y84-F271 HydrophobicContact CE1-CE2 4.06Å; Y84-F271 AromaticContact CE2-CD2 3.96Å; Y84-F271 HydrophobicContact CE2-CD2 3.96Å; Y84-F271 AromaticContact CE2-CE2 3.77Å; Y84-F271 HydrophobicContact CE2-CE2 3.77Å; Y84-F271 AromaticContact CG-CE2 3.95Å; Y84-F271 HydrophobicContact CG-CE2 3.95Å; Y84-F271 AromaticContact CZ-CD2 3.95Å; Y84-F271 AromaticContact CZ-CE2 3.94Å
85	F	98.1	Very high	98.5	Very high	88 Å²	88	31.5 Å²	31.5	39%	0.386	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	cis	-103.6	0.6	-11.1	-68.5	-75.3	0	0	0	112.7	L47 P48 H120 F271	L47-F85 HydrophobicContact CD2-CE2 3.97Å; L47-F85 HydrophobicContact CD2-CZ 4.16Å; P48-F85 HydrophobicContact CG-CD2 3.94Å; F85-H120 AromaticContact CD1-CE1 3.73Å; F85-H120 PolarHBondContact O-ND1 3.11Å; F85-F271 HydrophobicContact CE1-CE2 4.04Å; F85-F271 HydrophobicContact CE1-CZ 4.18Å; F85-F271 HydrophobicContact CZ-CE2 4.21Å; F85-F271 AromaticContact CZ-CZ 3.87Å; F85-F271 HydrophobicContact CZ-CZ 3.87Å
86	K	98	Very high	98.5	Very high	157 Å²	157	31.6 Å²	31.6	68%	0.683	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.8	34.6	-175.9	-61.7	-170	177.5	-173.6	0	111.9	H120 A123 G124	K86-H120 CarbonylContact C-O 3.58Å; K86-H120 VanDerWaalsContact C-O 3.26Å; K86-H120 WeakPolarHBondContact CA-O 2.96Å; K86-A123 HydrophobicContact CB-CB 4.47Å; K86-A123 HydrophobicContact CG-CB 4.44Å; K86-G124 WeakPolarHBondContact O-CA 3.2Å; K86-G124 PolarHBondContact O-N 3.36Å
87	G	98.5	Very high	98.5	Very high	6 Å²	6	36.2 Å²	36.2	6%	0.062	19%	0.188	C	C	.	.			trans	61.3	-143.5	176.7	0	0	0	0	0	112.5	F83 H120	F83-G87 VanDerWaalsContact O-CA 3.24Å; F83-G87 WeakPolarHBondContact O-CA 3.42Å; F83-G87 PolarHBondContact O-N 2.84Å; G87-H120 WeakPolarHBondContact CA-O 3.4Å; G87-H120 PolarHBondContact N-O 2.76Å
88	V	98.8	Very high	98.4	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	20%	0.204	C	C	.	.			trans	-115.1	157.3	171.1	-64.4	0	0	0	0	109.5	F83 R95 F96 N125 A128 Q129	F83-V88 HydrophobicContact CB-CG1 4.3Å; F83-V88 HydrophobicContact CD1-CG1 4.27Å; F83-V88 HydrophobicContact CD2-CG1 3.74Å; F83-V88 HydrophobicContact CE2-CG1 4.12Å; F83-V88 HydrophobicContact CG-CG1 3.82Å; V88-R95 HydrophobicContact CG1-CB 3.93Å; V88-F96 HydrophobicContact CB-CE2 4.23Å; V88-F96 HydrophobicContact CB-CZ 4.49Å; V88-F96 HydrophobicContact CG1-CD2 4.42Å; V88-F96 HydrophobicContact CG1-CE2 4.01Å; V88-F96 HydrophobicContact CG1-CZ 4.17Å; V88-F96 HydrophobicContact CG2-CE2 3.95Å; V88-F96 HydrophobicContact CG2-CZ 3.86Å; V88-N125 VanDerWaalsContact O-CB 3.24Å; V88-N125 WeakPolarHBondContact O-CB 3.47Å; V88-N125 PolarHBondContact O-N 3.06Å; V88-A128 HydrophobicContact CG2-CB 3.94Å; V88-Q129 HydrophobicContact CG2-CG 3.76Å
89	D	97.6	Very high	98.4	Very high	116 Å²	116	39.6 Å²	39.6	62%	0.62	20%	0.204	S	C	*	.	S	Bend	trans	-89.4	-34.6	177.5	58.7	-12.4	0	0	0	112.8	S93 N125	D89-S93 WeakPolarHBondContact OD1-CB 3.11Å; D89-S93 PolarHBondContact OD1-OG 3.36Å; D89-N125 PolarHBondContact O-ND2 2.85Å
90	S	98.5	Very high	98.4	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	20%	0.204	S	C	.	.	S	Bend	trans	-150.8	167.6	-175.3	70.5	0	0	0	0	112.1	D92 S93	S90-D92 PolarHBondContact O-N 3.06Å; S90-D92 PolarHBondContact OG-N 3.05Å; S90-S93 WeakPolarHBondContact O-CB 3.35Å; S90-S93 PolarHBondContact O-N 3.42Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact OG-N 2.78Å
91	V	98.6	Very high	98.4	Very high	26 Å²	26	40.8 Å²	40.8	16%	0.158	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.3	176.3	66.7	0	0	0	0	112.9	A128 E131 Y132 K135	V91-A128 HydrophobicContact CB-CB 4.42Å; V91-E131 HydrophobicContact CB-CB 4.14Å; V91-E131 HydrophobicContact CG2-CB 3.81Å; V91-Y132 HydrophobicContact CG2-CD2 4.37Å; V91-K135 HydrophobicContact CG2-CD 4Å; V91-K135 PolarHBondContact O-NZ 2.73Å
92	D	98.3	Very high	98.4	Very high	122 Å²	122	44.5 Å²	44.5	65%	0.652	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	8.2	175.4	-71.8	-69.7	0	0	0	112.5	S90 K135	S90-D92 PolarHBondContact O-N 3.06Å; S90-D92 PolarHBondContact OG-N 3.05Å; D92-K135 IonicContact OD1-NZ 2.88Å; D92-K135 PolarHBondContact OD1-NZ 3.34Å; D92-K135 IonicContact OD2-NZ 3.46Å; D92-K135 PolarHBondContact OD2-NZ 3.07Å; D92-K135 VanDerWaalsContact OD2-NZ 3.09Å
93	S	98.1	Very high	98.4	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	24%	0.241	C	C	.	.			trans	-57.1	131.3	179.8	-167	0	0	0	0	111.1	D89 S90 R95 F96	D89-S93 WeakPolarHBondContact OD1-CB 3.11Å; D89-S93 PolarHBondContact OD1-OG 3.36Å; S90-S93 WeakPolarHBondContact O-CB 3.35Å; S90-S93 PolarHBondContact O-N 3.42Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact OG-N 2.78Å; S93-R95 PolarHBondContact O-N 3.3Å; S93-R95 VanDerWaalsContact O-N 3.1Å; S93-F96 PolarHBondContact O-N 3.14Å
94	P	96.9	Very high	98.4	Very high	71 Å²	71	45.3 Å²	45.3	46%	0.461	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	179	26.7	-35.4	0	0	0	112.4	F96 Q97 E98	P94-F96 PolarHBondContact O-N 3.49Å; P94-Q97 WeakPolarHBondContact O-CA 3.45Å; P94-Q97 WeakPolarHBondContact O-CB 3.41Å; P94-Q97 PolarHBondContact O-N 2.9Å; P94-E98 PolarHBondContact O-N 3.43Å
95	R	98.4	Very high	98.4	Very high	17 Å²	17	49.5 Å²	49.5	6%	0.064	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-34.5	176.3	-67.3	-64.7	-57.9	-78.1	5.7	113.4	G45 L47 Y52 F83 Y84 V88 S93 Q97 E98 T99	G45-R95 PolarHBondContact O-NH2 3.26Å; L47-R95 PolarHBondContact O-NH2 2.91Å; Y52-R95 VanDerWaalsContact CD1-CD 3.49Å; F83-R95 HydrophobicContact CD1-CB 3.87Å; F83-R95 HydrophobicContact CE1-CB 4.21Å; F83-R95 WeakPolarHBondContact CE1-O 3.33Å; Y84-R95 PolarHBondContact O-NH1 2.92Å; Y84-R95 PolarHBondContact O-NH2 3.02Å; V88-R95 HydrophobicContact CG1-CB 3.93Å; S93-R95 PolarHBondContact O-N 3.3Å; S93-R95 VanDerWaalsContact O-N 3.1Å; R95-Q97 VanDerWaalsContact C-N 3.28Å; R95-Q97 PolarHBondContact O-N 3.3Å; R95-E98 PolarHBondContact O-N 3.17Å; R95-T99 PolarHBondContact NE-OG1 3.17Å; R95-T99 WeakPolarHBondContact O-CA 3.45Å; R95-T99 VanDerWaalsContact O-CB 3.26Å; R95-T99 WeakPolarHBondContact O-CB 3.45Å; R95-T99 PolarHBondContact O-N 3.26Å
96	F	98.8	Very high	98.4	Very high	2 Å²	2	47 Å²	47	1%	0.009	26%	0.26	C	S	.	.	I	π-helix	trans	-60.3	-40.7	173.9	-73.1	-71	0	0	0	111.8	F83 V88 S93 P94 F100 E101 Q129 Y132 W139	F83-F96 HydrophobicContact CE1-CD1 4.41Å; F83-F96 AromaticContact CE2-CD1 3.95Å; F83-F96 HydrophobicContact CE2-CD1 3.95Å; F83-F96 AromaticContact CE2-CE1 3.66Å; F83-F96 HydrophobicContact CE2-CE1 3.66Å; F83-F96 HydrophobicContact CE2-CZ 4.35Å; F83-F96 AromaticContact CZ-CD1 3.48Å; F83-F96 HydrophobicContact CZ-CD1 3.48Å; F83-F96 VanDerWaalsContact CZ-CD1 3.48Å; F83-F96 AromaticContact CZ-CE1 3.72Å; F83-F96 HydrophobicContact CZ-CE1 3.72Å; F83-F96 HydrophobicContact CZ-CG 4.24Å; V88-F96 HydrophobicContact CB-CE2 4.23Å; V88-F96 HydrophobicContact CB-CZ 4.49Å; V88-F96 HydrophobicContact CG1-CD2 4.42Å; V88-F96 HydrophobicContact CG1-CE2 4.01Å; V88-F96 HydrophobicContact CG1-CZ 4.17Å; V88-F96 HydrophobicContact CG2-CE2 3.95Å; V88-F96 HydrophobicContact CG2-CZ 3.86Å; S93-F96 PolarHBondContact O-N 3.14Å; P94-F96 PolarHBondContact O-N 3.49Å; F96-F100 VanDerWaalsContact O-CB 3.32Å; F96-F100 WeakPolarHBondContact O-CB 3.27Å; F96-F100 PolarHBondContact O-N 2.9Å; F96-E101 WeakPolarHBondContact O-CG 3.45Å; F96-E101 PolarHBondContact O-N 2.85Å; F96-Q129 HydrophobicContact CE1-CG 4.35Å; F96-Q129 HydrophobicContact CZ-CB 4.41Å; F96-Q129 HydrophobicContact CZ-CG 4.05Å; F96-Y132 HydrophobicContact CB-CD2 4.14Å; F96-Y132 HydrophobicContact CB-CE1 4Å; F96-Y132 HydrophobicContact CB-CE2 3.57Å; F96-Y132 AromaticContact CD1-CD1 3.34Å; F96-Y132 HydrophobicContact CD1-CD1 3.34Å; F96-Y132 AromaticContact CD1-CD2 3.81Å; F96-Y132 HydrophobicContact CD1-CD2 3.81Å; F96-Y132 AromaticContact CD1-CE1 3.56Å; F96-Y132 HydrophobicContact CD1-CE1 3.56Å; F96-Y132 HydrophobicContact CD1-CE2 4.01Å; F96-Y132 AromaticContact CD1-CG 3.49Å; F96-Y132 HydrophobicContact CD1-CG 3.49Å; F96-Y132 VanDerWaalsContact CD1-CG 3.49Å; F96-Y132 AromaticContact CD1-CZ 3.91Å; F96-Y132 AromaticContact CD2-CD2 3.64Å; F96-Y132 HydrophobicContact CD2-CD2 3.64Å; F96-Y132 AromaticContact CD2-CE2 3.92Å; F96-Y132 HydrophobicContact CD2-CE2 3.92Å; F96-Y132 HydrophobicContact CD2-CG 4.07Å; F96-Y132 AromaticContact CE1-CD1 3.57Å; F96-Y132 HydrophobicContact CE1-CD1 3.57Å; F96-Y132 HydrophobicContact CE1-CD2 4.09Å; F96-Y132 HydrophobicContact CE1-CE1 4.27Å; F96-Y132 AromaticContact CE1-CG 3.48Å; F96-Y132 HydrophobicContact CE1-CG 3.48Å; F96-Y132 VanDerWaalsContact CE1-CG 3.48Å; F96-Y132 AromaticContact CE2-CD2 3.93Å; F96-Y132 HydrophobicContact CE2-CD2 3.93Å; F96-Y132 HydrophobicContact CE2-CG 4.06Å; F96-Y132 AromaticContact CG-CD1 3.96Å; F96-Y132 HydrophobicContact CG-CD1 3.96Å; F96-Y132 AromaticContact CG-CD2 3.59Å; F96-Y132 HydrophobicContact CG-CD2 3.59Å; F96-Y132 AromaticContact CG-CE1 3.94Å; F96-Y132 HydrophobicContact CG-CE1 3.94Å; F96-Y132 AromaticContact CG-CE2 3.57Å; F96-Y132 HydrophobicContact CG-CE2 3.57Å; F96-Y132 AromaticContact CG-CG 3.81Å; F96-Y132 HydrophobicContact CG-CG 3.81Å; F96-Y132 AromaticContact CG-CZ 3.77Å; F96-Y132 HydrophobicContact CZ-CD1 4.34Å; F96-Y132 HydrophobicContact CZ-CD2 4.14Å; F96-Y132 AromaticContact CZ-CG 3.78Å; F96-Y132 HydrophobicContact CZ-CG 3.78Å; F96-W139 HydrophobicContact CE1-CZ2 4.21Å
97	Q	98.5	Very high	98.4	Very high	98 Å²	98	46.8 Å²	46.8	46%	0.458	26%	0.259	S	S	.	.	I	π-helix	trans	-75.6	-46.2	178.4	-65.3	-58.2	-37.4	0	0	111.8	P94 R95 E101 S102 Y132	P94-Q97 WeakPolarHBondContact O-CA 3.45Å; P94-Q97 WeakPolarHBondContact O-CB 3.41Å; P94-Q97 PolarHBondContact O-N 2.9Å; R95-Q97 VanDerWaalsContact C-N 3.28Å; R95-Q97 PolarHBondContact O-N 3.3Å; Q97-E101 PolarHBondContact O-N 2.9Å; Q97-S102 WeakPolarHBondContact O-CB 3.41Å; Q97-S102 PolarHBondContact O-N 2.84Å; Q97-S102 PolarHBondContact O-OG 2.96Å; Q97-Y132 PolarHBondContact NE2-OH 3.06Å
98	E	98.2	Very high	98.4	Very high	70 Å²	70	51.4 Å²	51.4	33%	0.327	28%	0.275	S	S	.	.	I	π-helix	trans	-80.2	-37.5	-169.5	-65.9	171.5	148.5	0	0	112.9	Y52 V53 P94 R95 V103	Y52-E98 HydrophobicContact CD2-CB 4.02Å; Y52-E98 VanDerWaalsContact CD2-CD 3.42Å; Y52-E98 HydrophobicContact CD2-CG 4.26Å; Y52-E98 WeakPolarHBondContact CD2-OE2 3.36Å; Y52-E98 VanDerWaalsContact CE2-CD 3.47Å; Y52-E98 WeakPolarHBondContact CE2-OE2 3.34Å; Y52-E98 HydrophobicContact CG-CB 4.37Å; V53-E98 WeakPolarHBondContact CG1-O 3.35Å; P94-E98 PolarHBondContact O-N 3.43Å; R95-E98 PolarHBondContact O-N 3.17Å; E98-V103 WeakPolarHBondContact O-CG2 3.4Å
99	T	98.9	Very high	98.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	I	π-helix	trans	-96.6	-21.2	-177.6	-55.2	0	0	0	0	112.6	G45 Y52 Q57 F83 R95 V103	G45-T99 VanDerWaalsContact C-CG2 3.45Å; G45-T99 WeakPolarHBondContact O-CG2 3.32Å; Y52-T99 PolarHBondContact O-OG1 2.85Å; Q57-T99 PolarHBondContact NE2-O 3.11Å; F83-T99 HydrophobicContact CD1-CG2 4.05Å; F83-T99 HydrophobicContact CE1-CG2 4.31Å; R95-T99 PolarHBondContact NE-OG1 3.17Å; R95-T99 WeakPolarHBondContact O-CA 3.45Å; R95-T99 VanDerWaalsContact O-CB 3.26Å; R95-T99 WeakPolarHBondContact O-CB 3.45Å; R95-T99 PolarHBondContact O-N 3.26Å; T99-V103 WeakPolarHBondContact O-CG2 3.26Å
100	F	98.9	Very high	98.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-119.2	-61.4	-178.3	174.7	-108.2	0	0	0	114.1	W44 F83 F96 S102 V103 Y104 W113 R138 W139	W44-F100 HydrophobicContact CH2-CB 4.35Å; W44-F100 AromaticContact CH2-CD2 3.91Å; W44-F100 HydrophobicContact CH2-CD2 3.91Å; W44-F100 HydrophobicContact CH2-CG 4.43Å; W44-F100 HydrophobicContact CZ3-CB 4.12Å; W44-F100 HydrophobicContact CZ3-CD2 4.02Å; F83-F100 HydrophobicContact CE1-CB 4.42Å; F83-F100 HydrophobicContact CZ-CB 4.44Å; F96-F100 VanDerWaalsContact O-CB 3.32Å; F96-F100 WeakPolarHBondContact O-CB 3.27Å; F96-F100 PolarHBondContact O-N 2.9Å; F100-S102 PolarHBondContact O-N 3.23Å; F100-V103 PolarHBondContact O-N 3.01Å; F100-Y104 AromaticContact CD2-CD2 3.65Å; F100-Y104 HydrophobicContact CD2-CD2 3.65Å; F100-Y104 HydrophobicContact CD2-CE2 4.12Å; F100-Y104 HydrophobicContact CE2-CD2 4.1Å; F100-Y104 WeakPolarHBondContact O-CD2 3.48Å; F100-Y104 PolarHBondContact O-N 2.75Å; F100-Y104 VanDerWaalsContact O-N 3.08Å; F100-W113 HydrophobicContact CD2-CE3 4.47Å; F100-W113 AromaticContact CE2-CD2 3.49Å; F100-W113 HydrophobicContact CE2-CD2 3.49Å; F100-W113 VanDerWaalsContact CE2-CD2 3.49Å; F100-W113 AromaticContact CE2-CE2 3.7Å; F100-W113 AromaticContact CE2-CE3 3.61Å; F100-W113 HydrophobicContact CE2-CE3 3.61Å; F100-W113 AromaticContact CE2-CG 3.97Å; F100-W113 HydrophobicContact CE2-CG 3.97Å; F100-W113 HydrophobicContact CE2-CH2 4.18Å; F100-W113 HydrophobicContact CE2-CZ2 4.06Å; F100-W113 AromaticContact CE2-CZ3 3.95Å; F100-W113 HydrophobicContact CE2-CZ3 3.95Å; F100-W113 HydrophobicContact CZ-CB 4.41Å; F100-W113 AromaticContact CZ-CD2 3.91Å; F100-W113 HydrophobicContact CZ-CD2 3.91Å; F100-W113 HydrophobicContact CZ-CE3 4.39Å; F100-W113 AromaticContact CZ-CG 3.87Å; F100-W113 HydrophobicContact CZ-CG 3.87Å; F100-R138 HydrophobicContact CE1-CG 4.24Å; F100-R138 HydrophobicContact CZ-CG 4.19Å; F100-R138 VanDerWaalsContact CZ-CZ 3.45Å; F100-R138 PolarHBondContact O-NH2 2.62Å; F100-W139 AromaticContact CD1-CE3 3.93Å; F100-W139 HydrophobicContact CD1-CE3 3.93Å; F100-W139 HydrophobicContact CD1-CZ3 4.24Å; F100-W139 HydrophobicContact CD2-CE3 4.41Å; F100-W139 HydrophobicContact CD2-CZ3 4.14Å; F100-W139 AromaticContact CE1-CE3 3.71Å; F100-W139 HydrophobicContact CE1-CE3 3.71Å; F100-W139 HydrophobicContact CE1-CZ3 4.36Å; F100-W139 HydrophobicContact CE2-CE3 4.22Å; F100-W139 HydrophobicContact CE2-CZ3 4.27Å; F100-W139 HydrophobicContact CG-CE3 4.28Å; F100-W139 HydrophobicContact CG-CZ3 4.14Å; F100-W139 AromaticContact CZ-CE3 3.86Å; F100-W139 HydrophobicContact CZ-CE3 3.86Å; F100-W139 HydrophobicContact CZ-CZ3 4.37Å
101	E	98.8	Very high	98.4	Very high	26 Å²	26	49.8 Å²	49.8	12%	0.121	26%	0.259	C	S	.	.	I	π-helix	trans	-67.3	-39.2	-171.2	-60	-64.2	-177.3	0	0	113.6	F96 Q97 Y132 S136 R138	F96-E101 WeakPolarHBondContact O-CG 3.45Å; F96-E101 PolarHBondContact O-N 2.85Å; Q97-E101 PolarHBondContact O-N 2.9Å; E101-Y132 WeakPolarHBondContact CG-OH 3.47Å; E101-Y132 PolarHBondContact OE1-OH 3.05Å; E101-Y132 VanDerWaalsContact OE1-OH 3.08Å; E101-S136 VanDerWaalsContact OE1-CB 3.26Å; E101-S136 WeakPolarHBondContact OE1-CB 3.41Å; E101-S136 PolarHBondContact OE1-OG 3.37Å; E101-R138 IonicContact OE2-CZ 3.96Å; E101-R138 VanDerWaalsContact OE2-CZ 3.26Å; E101-R138 IonicContact OE2-NE 3.23Å; E101-R138 PolarHBondContact OE2-NE 2.96Å; E101-R138 IonicContact OE2-NH2 3.21Å; E101-R138 PolarHBondContact OE2-NH2 2.76Å
102	S	98.5	Very high	98.4	Very high	78 Å²	78	50.6 Å²	50.6	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.3	-179	-54.4	0	0	0	0	113.5	Q97 F100 T105	Q97-S102 WeakPolarHBondContact O-CB 3.41Å; Q97-S102 PolarHBondContact O-N 2.84Å; Q97-S102 PolarHBondContact O-OG 2.96Å; F100-S102 PolarHBondContact O-N 3.23Å; S102-T105 WeakPolarHBondContact O-CG2 3.48Å
103	V	98.8	Very high	98.4	Very high	18 Å²	18	44.8 Å²	44.8	11%	0.109	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-52.5	177.9	179.4	0	0	0	0	110.7	V53 Q57 A61 E98 T99 F100 T105	V53-V103 HydrophobicContact CG1-CG2 3.44Å; V53-V103 VanDerWaalsContact CG1-CG2 3.44Å; Q57-V103 HydrophobicContact CG-CG1 4.1Å; A61-V103 HydrophobicContact CB-CG1 3.67Å; E98-V103 WeakPolarHBondContact O-CG2 3.4Å; T99-V103 WeakPolarHBondContact O-CG2 3.26Å; F100-V103 PolarHBondContact O-N 3.01Å; V103-T105 VanDerWaalsContact C-N 3.3Å; V103-T105 PolarHBondContact O-N 3.47Å
104	Y	98.8	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-89.8	66.1	-176.6	-57.1	-80.5	0	0	0	111	W44 A61 M64 F100 L109 K110 W113 R138	W44-Y104 WeakPolarHBondContact CB-OH 3.4Å; W44-Y104 HydrophobicContact CD2-CE2 4.47Å; W44-Y104 AromaticContact CE3-CE2 3.78Å; W44-Y104 HydrophobicContact CE3-CE2 3.78Å; W44-Y104 HydrophobicContact CZ3-CE2 4.13Å; A61-Y104 HydrophobicContact CB-CD1 3.47Å; A61-Y104 VanDerWaalsContact CB-CD1 3.47Å; A61-Y104 HydrophobicContact CB-CE1 3.43Å; A61-Y104 VanDerWaalsContact CB-CE1 3.43Å; A61-Y104 HydrophobicContact CB-CG 4.33Å; M64-Y104 HydrophobicContact SD-CD1 4.46Å; M64-Y104 HydrophobicContact SD-CE1 3.97Å; F100-Y104 AromaticContact CD2-CD2 3.65Å; F100-Y104 HydrophobicContact CD2-CD2 3.65Å; F100-Y104 HydrophobicContact CD2-CE2 4.12Å; F100-Y104 HydrophobicContact CE2-CD2 4.1Å; F100-Y104 WeakPolarHBondContact O-CD2 3.48Å; F100-Y104 PolarHBondContact O-N 2.75Å; F100-Y104 VanDerWaalsContact O-N 3.08Å; Y104-L109 HydrophobicContact CD1-CD1 4.12Å; Y104-K110 PolarHBondContact O-NZ 2.62Å; Y104-W113 AromaticContact CD1-CH2 3.48Å; Y104-W113 HydrophobicContact CD1-CH2 3.48Å; Y104-W113 VanDerWaalsContact CD1-CH2 3.48Å; Y104-W113 AromaticContact CD1-CZ2 3.66Å; Y104-W113 HydrophobicContact CD1-CZ2 3.66Å; Y104-W113 AromaticContact CD2-CH2 3.87Å; Y104-W113 HydrophobicContact CD2-CH2 3.87Å; Y104-W113 HydrophobicContact CD2-CZ2 4.17Å; Y104-W113 AromaticContact CE1-CH2 3.61Å; Y104-W113 HydrophobicContact CE1-CH2 3.61Å; Y104-W113 HydrophobicContact CE1-CZ2 4.27Å; Y104-W113 HydrophobicContact CE2-CH2 4.01Å; Y104-W113 AromaticContact CG-CH2 3.62Å; Y104-W113 HydrophobicContact CG-CH2 3.62Å; Y104-W113 AromaticContact CG-CZ2 3.61Å; Y104-W113 HydrophobicContact CG-CZ2 3.61Å; Y104-W113 AromaticContact CZ-CH2 3.89Å; Y104-R138 PolarHBondContact O-NH1 2.94Å; Y104-R138 PolarHBondContact O-NH2 2.74Å
105	T	98.6	Very high	98.6	Very high	88 Å²	88	41.6 Å²	41.6	54%	0.54	21%	0.211	S	C	.	.			trans	-92.7	-18.7	-169.4	55.6	0	0	0	0	114.8	S102 V103 K107	S102-T105 WeakPolarHBondContact O-CG2 3.48Å; V103-T105 VanDerWaalsContact C-N 3.3Å; V103-T105 PolarHBondContact O-N 3.47Å; T105-K107 PolarHBondContact O-N 3.43Å
106	S	98.5	Very high	98.6	Very high	35 Å²	35	40.8 Å²	40.8	25%	0.245	21%	0.208	C	C	.	.			trans	-51	136.2	177.8	172.1	0	0	0	0	111.3	Y108 L109 K110	S106-Y108 PolarHBondContact O-N 3.16Å; S106-Y108 VanDerWaalsContact O-N 3.13Å; S106-Y108 PolarHBondContact OG-N 2.95Å; S106-L109 WeakPolarHBondContact O-CA 3.49Å; S106-L109 PolarHBondContact O-N 2.98Å; S106-K110 PolarHBondContact O-N 2.68Å
107	K	98.1	Very high	98.6	Very high	152 Å²	152	40.7 Å²	40.7	66%	0.661	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-57.8	-27.5	177.6	69.6	179.5	-175.9	178.2	0	112.8	T105 L109 K110	T105-K107 PolarHBondContact O-N 3.43Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 2.69Å; K107-K110 PolarHBondContact O-N 3.32Å
108	Y	98.2	Very high	98.6	Very high	103 Å²	103	36 Å²	36	40%	0.404	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-78.8	-10.5	177.7	-55	-65.9	0	0	0	113.1	G69 S106	G69-Y108 VanDerWaalsContact CA-CG 3.49Å; S106-Y108 PolarHBondContact O-N 3.16Å; S106-Y108 VanDerWaalsContact O-N 3.13Å; S106-Y108 PolarHBondContact OG-N 2.95Å
109	L	98.5	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-103.8	6.6	174.2	-54	-178.9	0	0	0	112.5	L39 A61 M64 A68 I76 Y104 S106 K107 V111 W113 R138	L39-L109 HydrophobicContact CD1-CD2 3.87Å; A61-L109 WeakPolarHBondContact O-CD1 3.17Å; M64-L109 HydrophobicContact CB-CD1 4.03Å; M64-L109 HydrophobicContact CB-CD2 3.99Å; A68-L109 HydrophobicContact CB-CD2 4Å; I76-L109 HydrophobicContact CD1-CB 4.31Å; I76-L109 HydrophobicContact CD1-CD2 3.68Å; Y104-L109 HydrophobicContact CD1-CD1 4.12Å; S106-L109 WeakPolarHBondContact O-CA 3.49Å; S106-L109 PolarHBondContact O-N 2.98Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 2.69Å; L109-V111 PolarHBondContact O-N 2.64Å; L109-V111 VanDerWaalsContact O-N 3.16Å; L109-W113 PolarHBondContact O-NE1 3.29Å; L109-R138 PolarHBondContact O-NH1 2.93Å; L109-R138 VanDerWaalsContact O-NH1 3.08Å
110	K	97.9	Very high	98.6	Very high	100 Å²	100	34.1 Å²	34.1	44%	0.435	18%	0.177	S	C	.	.			trans	-84.4	42.2	169.5	-57.9	-53.7	-174.5	-169.9	0	111.3	Y104 S106 K107	Y104-K110 PolarHBondContact O-NZ 2.62Å; S106-K110 PolarHBondContact O-N 2.68Å; K107-K110 PolarHBondContact O-N 3.32Å
111	V	98	Very high	98.6	Very high	27 Å²	27	34.1 Å²	34.1	16%	0.164	18%	0.177	C	C	.	.	S	Bend	trans	-109.2	164.8	173	-64.4	0	0	0	0	109.2	I76 L109 W113 R138	I76-V111 HydrophobicContact CD1-CG2 4.03Å; I76-V111 HydrophobicContact CG1-CG2 3.97Å; L109-V111 PolarHBondContact O-N 2.64Å; L109-V111 VanDerWaalsContact O-N 3.16Å; V111-W113 VanDerWaalsContact O-CD1 3.23Å; V111-W113 PolarHBondContact O-N 3.28Å; V111-R138 WeakPolarHBondContact O-CB 3.42Å
112	P	98.7	Very high	98.6	Very high	43 Å²	43	35.2 Å²	35.2	28%	0.279	18%	0.182	S	C	.	.			trans	-56	134.4	176.3	-26.1	35.8	0	0	0	113.1	D74 F75 I76 Y114 K140	D74-P112 WeakPolarHBondContact O-CD 3.28Å; F75-P112 CarbonylContact C-O 3.58Å; F75-P112 WeakPolarHBondContact CA-O 3.45Å; F75-P112 HydrophobicContact CB-CB 4.37Å; F75-P112 VanDerWaalsContact CB-O 3.29Å; F75-P112 WeakPolarHBondContact CB-O 3.21Å; I76-P112 PolarHBondContact N-O 3.21Å; P112-Y114 HydrophobicContact CB-CE2 4.12Å; P112-K140 HydrophobicContact CB-CG 4Å
113	W	98.9	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.1	168.9	-74.6	62.3	0	0	0	107.8	V41 M64 I76 A78 F100 Y104 L109 V111 V115 R138 K140	V41-W113 HydrophobicContact CG1-CH2 4.34Å; V41-W113 HydrophobicContact CG1-CZ3 4.03Å; M64-W113 HydrophobicContact CE-CH2 3.91Å; M64-W113 HydrophobicContact CE-CZ2 4.21Å; I76-W113 HydrophobicContact CB-CD2 3.93Å; I76-W113 HydrophobicContact CB-CE3 4.36Å; I76-W113 HydrophobicContact CB-CG 4.12Å; I76-W113 HydrophobicContact CD1-CD2 4.22Å; I76-W113 VanDerWaalsContact CD1-CE2 3.41Å; I76-W113 HydrophobicContact CD1-CH2 4.36Å; I76-W113 HydrophobicContact CD1-CZ2 3.48Å; I76-W113 VanDerWaalsContact CD1-CZ2 3.48Å; I76-W113 HydrophobicContact CG2-CD2 3.83Å; I76-W113 HydrophobicContact CG2-CE3 3.77Å; I76-W113 HydrophobicContact CG2-CG 4.5Å; I76-W113 HydrophobicContact CG2-CH2 4.07Å; I76-W113 HydrophobicContact CG2-CZ2 4.14Å; I76-W113 HydrophobicContact CG2-CZ3 3.9Å; I76-W113 CarbonylContact O-C 3.38Å; I76-W113 WeakPolarHBondContact O-CA 3.28Å; A78-W113 HydrophobicContact CB-CE3 4.05Å; A78-W113 HydrophobicContact CB-CZ3 4.48Å; F100-W113 HydrophobicContact CD2-CE3 4.47Å; F100-W113 AromaticContact CE2-CD2 3.49Å; F100-W113 HydrophobicContact CE2-CD2 3.49Å; F100-W113 VanDerWaalsContact CE2-CD2 3.49Å; F100-W113 AromaticContact CE2-CE2 3.7Å; F100-W113 AromaticContact CE2-CE3 3.61Å; F100-W113 HydrophobicContact CE2-CE3 3.61Å; F100-W113 AromaticContact CE2-CG 3.97Å; F100-W113 HydrophobicContact CE2-CG 3.97Å; F100-W113 HydrophobicContact CE2-CH2 4.18Å; F100-W113 HydrophobicContact CE2-CZ2 4.06Å; F100-W113 AromaticContact CE2-CZ3 3.95Å; F100-W113 HydrophobicContact CE2-CZ3 3.95Å; F100-W113 HydrophobicContact CZ-CB 4.41Å; F100-W113 AromaticContact CZ-CD2 3.91Å; F100-W113 HydrophobicContact CZ-CD2 3.91Å; F100-W113 HydrophobicContact CZ-CE3 4.39Å; F100-W113 AromaticContact CZ-CG 3.87Å; F100-W113 HydrophobicContact CZ-CG 3.87Å; Y104-W113 AromaticContact CD1-CH2 3.48Å; Y104-W113 HydrophobicContact CD1-CH2 3.48Å; Y104-W113 VanDerWaalsContact CD1-CH2 3.48Å; Y104-W113 AromaticContact CD1-CZ2 3.66Å; Y104-W113 HydrophobicContact CD1-CZ2 3.66Å; Y104-W113 AromaticContact CD2-CH2 3.87Å; Y104-W113 HydrophobicContact CD2-CH2 3.87Å; Y104-W113 HydrophobicContact CD2-CZ2 4.17Å; Y104-W113 AromaticContact CE1-CH2 3.61Å; Y104-W113 HydrophobicContact CE1-CH2 3.61Å; Y104-W113 HydrophobicContact CE1-CZ2 4.27Å; Y104-W113 HydrophobicContact CE2-CH2 4.01Å; Y104-W113 AromaticContact CG-CH2 3.62Å; Y104-W113 HydrophobicContact CG-CH2 3.62Å; Y104-W113 AromaticContact CG-CZ2 3.61Å; Y104-W113 HydrophobicContact CG-CZ2 3.61Å; Y104-W113 AromaticContact CZ-CH2 3.89Å; L109-W113 PolarHBondContact O-NE1 3.29Å; V111-W113 VanDerWaalsContact O-CD1 3.23Å; V111-W113 PolarHBondContact O-N 3.28Å; W113-V115 HydrophobicContact CB-CG2 4.29Å; W113-V115 WeakPolarHBondContact O-CG2 3.32Å; W113-R138 WeakPolarHBondContact CB-O 3.43Å; W113-R138 PolarHBondContact N-O 3.45Å; W113-K140 WeakPolarHBondContact O-CA 3.48Å; W113-K140 VanDerWaalsContact O-CB 3.31Å; W113-K140 WeakPolarHBondContact O-CB 3.26Å; W113-K140 PolarHBondContact O-N 2.85Å
114	Y	98.9	Very high	98.6	Very high	17 Å²	17	34.5 Å²	34.5	7%	0.067	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.3	173	-65.7	-67.2	0	0	0	109.1	Q24 F75 I76 L77 A78 P112 K140 Y146 L148 F150	Q24-Y114 PolarHBondContact OE1-OH 2.73Å; Q24-Y114 VanDerWaalsContact OE1-OH 3.06Å; F75-Y114 HydrophobicContact CB-CD2 3.87Å; F75-Y114 HydrophobicContact CB-CE2 3.69Å; F75-Y114 HydrophobicContact CD1-CE2 4.35Å; F75-Y114 AromaticContact CD2-CD2 3.81Å; F75-Y114 HydrophobicContact CD2-CD2 3.81Å; F75-Y114 HydrophobicContact CD2-CE2 4.15Å; F75-Y114 AromaticContact CG-CD2 3.94Å; F75-Y114 HydrophobicContact CG-CD2 3.94Å; F75-Y114 AromaticContact CG-CE2 3.83Å; F75-Y114 HydrophobicContact CG-CE2 3.83Å; I76-Y114 PolarHBondContact O-N 3.37Å; L77-Y114 WeakPolarHBondContact CA-O 3.34Å; L77-Y114 HydrophobicContact CD2-CD2 4.32Å; A78-Y114 PolarHBondContact N-O 2.96Å; P112-Y114 HydrophobicContact CB-CE2 4.12Å; Y114-K140 WeakPolarHBondContact CA-O 3.37Å; Y114-K140 HydrophobicContact CD1-CB 3.53Å; Y114-K140 HydrophobicContact CD1-CG 4.26Å; Y114-K140 HydrophobicContact CE1-CB 3.73Å; Y114-K140 HydrophobicContact CE1-CG 4.02Å; Y114-K140 HydrophobicContact CG-CB 4.43Å; Y114-Y146 VanDerWaalsContact C-OH 3.31Å; Y114-Y146 HydrophobicContact CD1-CE2 4.26Å; Y114-L148 HydrophobicContact CD1-CD1 3.72Å; Y114-L148 HydrophobicContact CD1-CD2 3.64Å; Y114-L148 HydrophobicContact CD1-CG 4.3Å; Y114-L148 HydrophobicContact CD2-CD1 3.63Å; Y114-L148 HydrophobicContact CE1-CD1 4.16Å; Y114-L148 HydrophobicContact CE1-CD2 3.46Å; Y114-L148 VanDerWaalsContact CE1-CD2 3.46Å; Y114-L148 HydrophobicContact CE1-CG 4.46Å; Y114-L148 HydrophobicContact CE2-CD1 4.08Å; Y114-L148 HydrophobicContact CG-CD1 3.43Å; Y114-L148 VanDerWaalsContact CG-CD1 3.43Å; Y114-L148 HydrophobicContact CG-CD2 4.25Å; Y114-L148 HydrophobicContact CG-CG 4.47Å; Y114-F150 AromaticContact CE2-CZ 3.9Å; Y114-F150 HydrophobicContact CE2-CZ 3.9Å
115	V	98.9	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.5	-165.5	-171.6	0	0	0	0	111.5	A78 N82 W113 W139 K140 F141 Y146	A78-V115 HydrophobicContact CB-CB 4.31Å; A78-V115 HydrophobicContact CB-CG1 4.13Å; A78-V115 HydrophobicContact CB-CG2 4.07Å; N82-V115 WeakPolarHBondContact ND2-CG1 3.38Å; W113-V115 HydrophobicContact CB-CG2 4.29Å; W113-V115 WeakPolarHBondContact O-CG2 3.32Å; V115-W139 HydrophobicContact CB-CZ2 4.22Å; V115-W139 HydrophobicContact CG1-CH2 3.87Å; V115-W139 HydrophobicContact CG1-CZ2 3.76Å; V115-W139 HydrophobicContact CG2-CD2 3.98Å; V115-W139 HydrophobicContact CG2-CE3 4.03Å; V115-W139 HydrophobicContact CG2-CH2 4.02Å; V115-W139 HydrophobicContact CG2-CZ2 3.97Å; V115-W139 HydrophobicContact CG2-CZ3 4.04Å; V115-K140 PolarHBondContact N-O 3.39Å; V115-F141 HydrophobicContact CB-CB 4.02Å; V115-F141 HydrophobicContact CB-CD1 4.05Å; V115-F141 HydrophobicContact CB-CG 4.03Å; V115-F141 HydrophobicContact CG1-CD1 3.91Å; V115-F141 HydrophobicContact CG1-CE1 4.24Å; V115-F141 HydrophobicContact CG1-CG 4.4Å; V115-F141 WeakPolarHBondContact O-CD2 3.29Å; V115-F141 VanDerWaalsContact O-CE2 3.29Å; V115-F141 WeakPolarHBondContact O-CE2 3.15Å; V115-Y146 PolarHBondContact N-OH 3.47Å; V115-Y146 WeakPolarHBondContact O-CE1 3.32Å; V115-Y146 PolarHBondContact O-OH 2.83Å
116	V	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	164.4	159.8	-69.9	0	0	0	0	110.2	A78 G80 N82 M163	A78-V116 WeakPolarHBondContact O-CG2 3.42Å; A78-V116 PolarHBondContact O-N 2.83Å; G80-V116 VanDerWaalsContact CA-O 3.24Å; G80-V116 WeakPolarHBondContact CA-O 3.36Å; G80-V116 PolarHBondContact N-O 3.45Å; N82-V116 PolarHBondContact ND2-O 2.81Å; V116-M163 HydrophobicContact CG1-CB 3.68Å; V116-M163 HydrophobicContact CG1-CE 3.78Å
117	A	98.9	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.			trans	-94.3	145.7	176.9	0	0	0	0	0	111.9	D121 V126 F141	A117-D121 HydrophobicContact CB-CB 3.89Å; A117-V126 HydrophobicContact CB-CG1 3.77Å; A117-V126 HydrophobicContact CB-CG2 3.88Å; A117-F141 HydrophobicContact CB-CE1 4.17Å; A117-F141 HydrophobicContact CB-CZ 3.89Å
118	G	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.			trans	-104.9	-172.7	168.7	0	0	0	0	0	113.4	D81 H120 D121 H122 H214	D81-G118 VanDerWaalsContact OD1-C 3.24Å; D81-G118 VanDerWaalsContact OD1-CA 3.31Å; D81-G118 WeakPolarHBondContact OD1-CA 3.4Å; G118-H120 PolarHBondContact O-N 3Å; G118-D121 PolarHBondContact N-OD2 2.8Å; G118-D121 PolarHBondContact O-N 3.28Å; G118-H122 PolarHBondContact O-CD2 2.91Å; G118-H122 PolarHBondContact O-N 3.49Å; G118-H214 WeakPolarHBondContact CA-CD2 3.02Å
119	N	98.9	Very high	98.7	Very high	2 Å²	2	25 Å²	25	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-42.7	-179.5	39.9	-72.1	0	0	0	112.8	D81 D121 H122 A123 N172 S173 D174 H214 Y215 H249	D81-N119 PolarHBondContact OD1-N 3.27Å; D81-N119 PolarHBondContact OD2-OD1 3.25Å; N119-D121 VanDerWaalsContact C-N 3.26Å; N119-D121 PolarHBondContact O-N 3.34Å; N119-H122 PolarHBondContact O-N 3.06Å; N119-A123 PolarHBondContact O-N 3.17Å; N119-N172 WeakPolarHBondContact CB-OD1 2.99Å; N119-N172 PolarHBondContact O-ND2 3.4Å; N119-S173 WeakPolarHBondContact CB-OG 3.16Å; N119-D174 PolarHBondContact ND2-OD1 3.23Å; N119-H214 PolarHBondContact OD1-CD2 3.19Å; N119-H214 PolarHBondContact OD1-NE2 2.93Å; N119-Y215 HydrophobicContact CB-CE1 4.39Å; N119-H249 PolarHBondContact OD1-CE1 3.04Å; N119-H249 VanDerWaalsContact OD1-CE1 3.25Å; N119-H249 PolarHBondContact OD1-ND1 3.34Å
120	H	98.8	Very high	98.7	Very high	28 Å²	28	26.3 Å²	26.3	13%	0.13	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-30	-178.7	-72.9	-63.5	0	0	0	111.8	D81 Y84 F85 K86 G87 G118 A123 D174	D81-H120 WeakPolarHBondContact OD1-CB 3.36Å; D81-H120 IonicContact OD1-CD2 3.27Å; D81-H120 IonicContact OD1-CG 3.74Å; D81-H120 PolarHBondContact OD1-N 2.89Å; D81-H120 IonicContact OD2-CD2 3.31Å; D81-H120 PolarHBondContact OD2-CD2 2.8Å; D81-H120 VanDerWaalsContact OD2-CD2 3.27Å; Y84-H120 HydrophobicContact CD1-CB 4.15Å; Y84-H120 AromaticContact CD1-CD2 3.29Å; Y84-H120 WeakPolarHBondContact CD1-CD2 3.27Å; Y84-H120 AromaticContact CD1-CG 3.65Å; Y84-H120 AromaticContact CD1-NE2 3.77Å; Y84-H120 AromaticContact CE1-CD2 3.18Å; Y84-H120 WeakPolarHBondContact CE1-CD2 3.43Å; Y84-H120 AromaticContact CE1-CG 3.98Å; Y84-H120 AromaticContact CE1-NE2 3.7Å; F85-H120 AromaticContact CD1-CE1 3.73Å; F85-H120 PolarHBondContact O-ND1 3.11Å; K86-H120 CarbonylContact C-O 3.58Å; K86-H120 VanDerWaalsContact C-O 3.26Å; K86-H120 WeakPolarHBondContact CA-O 2.96Å; G87-H120 WeakPolarHBondContact CA-O 3.4Å; G87-H120 PolarHBondContact N-O 2.76Å; G118-H120 PolarHBondContact O-N 3Å; H120-A123 PolarHBondContact O-N 2.04Å; H120-D174 IonicContact CE1-OD1 2.88Å; H120-D174 IonicContact CE1-OD2 3.09Å; H120-D174 PolarHBondContact CE1-OD2 2.71Å; H120-D174 IonicContact CG-OD2 2.75Å; H120-D174 IonicContact ND1-OD2 3.26Å; H120-D174 PolarHBondContact ND1-OD2 2.76Å
121	D	98.9	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-41.6	173.4	-61.5	-52.9	0	0	0	111.7	D81 N82 F83 A117 G118 N119 A123 G124 V126 Q129	D81-D121 VanDerWaalsContact CA-OD2 3.3Å; D81-D121 WeakPolarHBondContact CA-OD2 3.23Å; D81-D121 PolarHBondContact N-OD2 2.85Å; N82-D121 WeakPolarHBondContact CB-OD1 3.25Å; N82-D121 PolarHBondContact N-OD1 2.81Å; N82-D121 VanDerWaalsContact N-OD1 3.12Å; N82-D121 PolarHBondContact N-OD2 2.79Å; N82-D121 PolarHBondContact ND2-OD2 2.85Å; F83-D121 PolarHBondContact N-OD1 2.87Å; A117-D121 HydrophobicContact CB-CB 3.89Å; G118-D121 PolarHBondContact N-OD2 2.8Å; G118-D121 PolarHBondContact O-N 3.28Å; N119-D121 VanDerWaalsContact C-N 3.26Å; N119-D121 PolarHBondContact O-N 3.34Å; D121-A123 VanDerWaalsContact C-N 3.31Å; D121-G124 CarbonylContact O-C 3.47Å; D121-G124 WeakPolarHBondContact O-CA 3.12Å; D121-G124 PolarHBondContact O-N 2.96Å; D121-V126 HydrophobicContact CB-CG2 4.1Å; D121-V126 WeakPolarHBondContact O-CG2 3.08Å; D121-Q129 VanDerWaalsContact CG-NE2 3.33Å; D121-Q129 PolarHBondContact OD1-NE2 2.96Å
122	H	98.8	Very high	98.8	Very high	49 Å²	49	23.7 Å²	23.7	23%	0.227	13%	0.131	C	C	.	.	H	α-helix	trans	-71.6	-20.3	175.6	-86	-86.3	0	0	0	114	G118 N119 G124 V126 D165 V167	G118-H122 PolarHBondContact O-CD2 2.91Å; G118-H122 PolarHBondContact O-N 3.49Å; N119-H122 PolarHBondContact O-N 3.06Å; H122-G124 PolarHBondContact O-N 2.85Å; H122-V126 HydrophobicContact CB-CG2 4.33Å; H122-D165 IonicContact CD2-OD1 2.62Å; H122-D165 IonicContact CD2-OD2 3.57Å; H122-D165 IonicContact CE1-OD1 2.77Å; H122-D165 IonicContact CE1-OD2 3.27Å; H122-D165 PolarHBondContact CE1-OD2 3.2Å; H122-D165 VanDerWaalsContact NE2-CG 3.27Å; H122-D165 IonicContact NE2-OD1 3.04Å; H122-D165 PolarHBondContact NE2-OD1 2.68Å; H122-D165 VanDerWaalsContact NE2-OD1 3.07Å; H122-D165 IonicContact NE2-OD2 3.68Å; H122-D165 PolarHBondContact NE2-OD2 2.46Å; H122-V167 HydrophobicContact CB-CB 4.49Å; H122-V167 HydrophobicContact CB-CG1 3.81Å; H122-V167 VanDerWaalsContact CD2-CB 3.46Å; H122-V167 WeakPolarHBondContact CD2-CB 3.33Å
123	A	97.8	Very high	98.8	Very high	48 Å²	48	23 Å²	23	40%	0.397	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.1	166.9	0	0	0	0	0	112.6	K86 N119 H120 D121	K86-A123 HydrophobicContact CB-CB 4.47Å; K86-A123 HydrophobicContact CG-CB 4.44Å; N119-A123 PolarHBondContact O-N 3.17Å; H120-A123 PolarHBondContact O-N 2.04Å; D121-A123 VanDerWaalsContact C-N 3.31Å
124	G	98.1	Very high	98.7	Very high	32 Å²	32	31.5 Å²	31.5	33%	0.33	17%	0.167	S	C	.	.	S	Bend	trans	-111.4	-139.3	171.1	0	0	0	0	0	112.8	K86 D121 H122	K86-G124 WeakPolarHBondContact O-CA 3.2Å; K86-G124 PolarHBondContact O-N 3.36Å; D121-G124 CarbonylContact O-C 3.47Å; D121-G124 WeakPolarHBondContact O-CA 3.12Å; D121-G124 PolarHBondContact O-N 2.96Å; H122-G124 PolarHBondContact O-N 2.85Å
125	N	98.6	Very high	98.7	Very high	57 Å²	57	35.4 Å²	35.4	31%	0.305	19%	0.185	S	C	.	.			trans	-112.6	88.4	-177.9	-172	-9.5	0	0	0	111.3	V88 D89 K127 A128 Q129	V88-N125 VanDerWaalsContact O-CB 3.24Å; V88-N125 WeakPolarHBondContact O-CB 3.47Å; V88-N125 PolarHBondContact O-N 3.06Å; D89-N125 PolarHBondContact O-ND2 2.85Å; N125-K127 PolarHBondContact O-N 2.61Å; N125-K127 VanDerWaalsContact OD1-CB 3.31Å; N125-K127 WeakPolarHBondContact OD1-CB 3.37Å; N125-K127 PolarHBondContact OD1-N 2.92Å; N125-A128 HydrophobicContact CB-CB 4.05Å; N125-A128 WeakPolarHBondContact O-CB 3.43Å; N125-A128 PolarHBondContact O-N 2.79Å; N125-A128 VanDerWaalsContact O-N 3.12Å; N125-A128 PolarHBondContact OD1-N 3.46Å; N125-A128 VanDerWaalsContact OD1-N 3.07Å; N125-Q129 PolarHBondContact O-N 2.81Å
126	V	98.9	Very high	98.7	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.036	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-31.6	175.3	178.6	0	0	0	0	111.9	A117 D121 H122 A128 Q129 I130 F141 Y144	A117-V126 HydrophobicContact CB-CG1 3.77Å; A117-V126 HydrophobicContact CB-CG2 3.88Å; D121-V126 HydrophobicContact CB-CG2 4.1Å; D121-V126 WeakPolarHBondContact O-CG2 3.08Å; H122-V126 HydrophobicContact CB-CG2 4.33Å; V126-A128 VanDerWaalsContact C-N 3.27Å; V126-A128 PolarHBondContact O-N 3.17Å; V126-Q129 WeakPolarHBondContact O-CA 3.44Å; V126-Q129 WeakPolarHBondContact O-CB 3.27Å; V126-Q129 PolarHBondContact O-N 3.1Å; V126-I130 HydrophobicContact CG1-CD1 4.35Å; V126-I130 PolarHBondContact O-N 3.11Å; V126-F141 HydrophobicContact CG1-CE1 4.05Å; V126-F141 HydrophobicContact CG1-CZ 4.01Å; V126-Y144 HydrophobicContact CB-CD1 4.5Å; V126-Y144 HydrophobicContact CB-CE1 3.75Å; V126-Y144 HydrophobicContact CG1-CD1 3.7Å; V126-Y144 HydrophobicContact CG1-CE1 3.38Å
127	K	98.8	Very high	98.6	Very high	115 Å²	115	43.1 Å²	43.1	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-37.4	177.2	-167.8	-170.7	179.7	-128	0	111.4	N125 Q129 I130 E131	N125-K127 PolarHBondContact O-N 2.61Å; N125-K127 VanDerWaalsContact OD1-CB 3.31Å; N125-K127 WeakPolarHBondContact OD1-CB 3.37Å; N125-K127 PolarHBondContact OD1-N 2.92Å; K127-Q129 VanDerWaalsContact C-N 3.29Å; K127-Q129 PolarHBondContact O-N 2.84Å; K127-I130 WeakPolarHBondContact O-CB 3.43Å; K127-I130 PolarHBondContact O-N 2.82Å; K127-E131 WeakPolarHBondContact CE-OE1 3.38Å; K127-E131 HydrophobicContact CG-CG 4.49Å; K127-E131 IonicContact NZ-OE1 3.94Å; K127-E131 PolarHBondContact NZ-OE1 2.91Å; K127-E131 WeakPolarHBondContact O-CB 3.49Å; K127-E131 VanDerWaalsContact O-CG 3.32Å; K127-E131 WeakPolarHBondContact O-CG 3.47Å; K127-E131 PolarHBondContact O-N 2.95Å
128	A	98.9	Very high	98.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-35.5	173.1	0	0	0	0	0	112.6	V88 V91 N125 V126 E131 Y132	V88-A128 HydrophobicContact CG2-CB 3.94Å; V91-A128 HydrophobicContact CB-CB 4.42Å; N125-A128 HydrophobicContact CB-CB 4.05Å; N125-A128 WeakPolarHBondContact O-CB 3.43Å; N125-A128 PolarHBondContact O-N 2.79Å; N125-A128 VanDerWaalsContact O-N 3.12Å; N125-A128 PolarHBondContact OD1-N 3.46Å; N125-A128 VanDerWaalsContact OD1-N 3.07Å; V126-A128 VanDerWaalsContact C-N 3.27Å; V126-A128 PolarHBondContact O-N 3.17Å; A128-E131 PolarHBondContact O-N 3.14Å; A128-Y132 WeakPolarHBondContact O-CB 3.27Å; A128-Y132 PolarHBondContact O-N 3.16Å
129	Q	98.9	Very high	98.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-39.6	173	-58.8	-168.4	33.7	0	0	112	N82 F83 V88 F96 D121 N125 V126 K127 Y132 W139 F141	N82-Q129 PolarHBondContact ND2-OE1 2.77Å; F83-Q129 HydrophobicContact CE2-CG 4.37Å; V88-Q129 HydrophobicContact CG2-CG 3.76Å; F96-Q129 HydrophobicContact CE1-CG 4.35Å; F96-Q129 HydrophobicContact CZ-CB 4.41Å; F96-Q129 HydrophobicContact CZ-CG 4.05Å; D121-Q129 VanDerWaalsContact CG-NE2 3.33Å; D121-Q129 PolarHBondContact OD1-NE2 2.96Å; N125-Q129 PolarHBondContact O-N 2.81Å; V126-Q129 WeakPolarHBondContact O-CA 3.44Å; V126-Q129 WeakPolarHBondContact O-CB 3.27Å; V126-Q129 PolarHBondContact O-N 3.1Å; K127-Q129 VanDerWaalsContact C-N 3.29Å; K127-Q129 PolarHBondContact O-N 2.84Å; Q129-Y132 PolarHBondContact O-N 2.91Å; Q129-W139 HydrophobicContact CB-CZ2 4.13Å; Q129-W139 PolarHBondContact O-NE1 3.4Å; Q129-F141 HydrophobicContact CB-CD1 3.89Å; Q129-F141 HydrophobicContact CB-CE1 4.07Å
130	I	98.9	Very high	98.5	Very high	29 Å²	29	47.1 Å²	47.1	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-46.5	172.9	-69	166.4	0	0	0	110.6	V126 K127 Y132 S133 F141 Y144	V126-I130 HydrophobicContact CG1-CD1 4.35Å; V126-I130 PolarHBondContact O-N 3.11Å; K127-I130 WeakPolarHBondContact O-CB 3.43Å; K127-I130 PolarHBondContact O-N 2.82Å; I130-Y132 PolarHBondContact O-N 3.28Å; I130-S133 WeakPolarHBondContact O-CB 3.44Å; I130-S133 PolarHBondContact O-N 2.99Å; I130-F141 WeakPolarHBondContact CA-O 3.2Å; I130-F141 HydrophobicContact CG1-CD1 4.13Å; I130-F141 HydrophobicContact CG1-CD2 4.02Å; I130-F141 HydrophobicContact CG1-CE1 4.3Å; I130-F141 HydrophobicContact CG1-CE2 4.21Å; I130-F141 HydrophobicContact CG1-CG 3.99Å; I130-F141 HydrophobicContact CG1-CZ 4.33Å; I130-F141 WeakPolarHBondContact CG2-O 3.47Å; I130-Y144 HydrophobicContact CD1-CD1 4.24Å; I130-Y144 HydrophobicContact CD1-CD2 3.77Å; I130-Y144 HydrophobicContact CD1-CE1 4.26Å; I130-Y144 HydrophobicContact CD1-CE2 3.74Å; I130-Y144 HydrophobicContact CD1-CG 4.01Å
131	E	98.8	Very high	98.5	Very high	61 Å²	61	45.8 Å²	45.8	29%	0.285	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-29.4	178.8	-71.3	169.9	178.3	0	0	112.3	V91 K127 A128 S133 Q134	V91-E131 HydrophobicContact CB-CB 4.14Å; V91-E131 HydrophobicContact CG2-CB 3.81Å; K127-E131 WeakPolarHBondContact CE-OE1 3.38Å; K127-E131 HydrophobicContact CG-CG 4.49Å; K127-E131 IonicContact NZ-OE1 3.94Å; K127-E131 PolarHBondContact NZ-OE1 2.91Å; K127-E131 WeakPolarHBondContact O-CB 3.49Å; K127-E131 VanDerWaalsContact O-CG 3.32Å; K127-E131 WeakPolarHBondContact O-CG 3.47Å; K127-E131 PolarHBondContact O-N 2.95Å; A128-E131 PolarHBondContact O-N 3.14Å; E131-S133 PolarHBondContact O-N 2.83Å; E131-S133 VanDerWaalsContact O-N 3.12Å; E131-Q134 WeakPolarHBondContact O-CB 3.42Å; E131-Q134 PolarHBondContact O-N 3.43Å
132	Y	98.8	Very high	98.5	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.039	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-63	-18.5	177.4	-168.1	-105.9	0	0	0	113.3	V91 F96 Q97 E101 A128 Q129 I130 Q134 K135 S136 W139	V91-Y132 HydrophobicContact CG2-CD2 4.37Å; F96-Y132 HydrophobicContact CB-CD2 4.14Å; F96-Y132 HydrophobicContact CB-CE1 4Å; F96-Y132 HydrophobicContact CB-CE2 3.57Å; F96-Y132 AromaticContact CD1-CD1 3.34Å; F96-Y132 HydrophobicContact CD1-CD1 3.34Å; F96-Y132 AromaticContact CD1-CD2 3.81Å; F96-Y132 HydrophobicContact CD1-CD2 3.81Å; F96-Y132 AromaticContact CD1-CE1 3.56Å; F96-Y132 HydrophobicContact CD1-CE1 3.56Å; F96-Y132 HydrophobicContact CD1-CE2 4.01Å; F96-Y132 AromaticContact CD1-CG 3.49Å; F96-Y132 HydrophobicContact CD1-CG 3.49Å; F96-Y132 VanDerWaalsContact CD1-CG 3.49Å; F96-Y132 AromaticContact CD1-CZ 3.91Å; F96-Y132 AromaticContact CD2-CD2 3.64Å; F96-Y132 HydrophobicContact CD2-CD2 3.64Å; F96-Y132 AromaticContact CD2-CE2 3.92Å; F96-Y132 HydrophobicContact CD2-CE2 3.92Å; F96-Y132 HydrophobicContact CD2-CG 4.07Å; F96-Y132 AromaticContact CE1-CD1 3.57Å; F96-Y132 HydrophobicContact CE1-CD1 3.57Å; F96-Y132 HydrophobicContact CE1-CD2 4.09Å; F96-Y132 HydrophobicContact CE1-CE1 4.27Å; F96-Y132 AromaticContact CE1-CG 3.48Å; F96-Y132 HydrophobicContact CE1-CG 3.48Å; F96-Y132 VanDerWaalsContact CE1-CG 3.48Å; F96-Y132 AromaticContact CE2-CD2 3.93Å; F96-Y132 HydrophobicContact CE2-CD2 3.93Å; F96-Y132 HydrophobicContact CE2-CG 4.06Å; F96-Y132 AromaticContact CG-CD1 3.96Å; F96-Y132 HydrophobicContact CG-CD1 3.96Å; F96-Y132 AromaticContact CG-CD2 3.59Å; F96-Y132 HydrophobicContact CG-CD2 3.59Å; F96-Y132 AromaticContact CG-CE1 3.94Å; F96-Y132 HydrophobicContact CG-CE1 3.94Å; F96-Y132 AromaticContact CG-CE2 3.57Å; F96-Y132 HydrophobicContact CG-CE2 3.57Å; F96-Y132 AromaticContact CG-CG 3.81Å; F96-Y132 HydrophobicContact CG-CG 3.81Å; F96-Y132 AromaticContact CG-CZ 3.77Å; F96-Y132 HydrophobicContact CZ-CD1 4.34Å; F96-Y132 HydrophobicContact CZ-CD2 4.14Å; F96-Y132 AromaticContact CZ-CG 3.78Å; F96-Y132 HydrophobicContact CZ-CG 3.78Å; Q97-Y132 PolarHBondContact NE2-OH 3.06Å; E101-Y132 WeakPolarHBondContact CG-OH 3.47Å; E101-Y132 PolarHBondContact OE1-OH 3.05Å; E101-Y132 VanDerWaalsContact OE1-OH 3.08Å; A128-Y132 WeakPolarHBondContact O-CB 3.27Å; A128-Y132 PolarHBondContact O-N 3.16Å; Q129-Y132 PolarHBondContact O-N 2.91Å; I130-Y132 PolarHBondContact O-N 3.28Å; Y132-Q134 PolarHBondContact O-N 3.49Å; Y132-Q134 VanDerWaalsContact O-N 3.11Å; Y132-K135 HydrophobicContact CD2-CB 3.95Å; Y132-K135 HydrophobicContact CD2-CD 4.21Å; Y132-K135 HydrophobicContact CE2-CB 3.95Å; Y132-K135 HydrophobicContact CE2-CD 4.39Å; Y132-K135 PolarHBondContact O-N 3.2Å; Y132-S136 PolarHBondContact O-N 3.42Å; Y132-S136 VanDerWaalsContact O-N 3.09Å; Y132-W139 HydrophobicContact CD1-CB 3.88Å; Y132-W139 AromaticContact CD1-CD1 3.82Å; Y132-W139 AromaticContact CD1-CD2 3.93Å; Y132-W139 HydrophobicContact CD1-CD2 3.93Å; Y132-W139 AromaticContact CD1-CG 3.61Å; Y132-W139 HydrophobicContact CD1-CG 3.61Å; Y132-W139 HydrophobicContact CE1-CB 4.17Å; Y132-W139 HydrophobicContact CE1-CG 4.28Å
133	S	98.6	Very high	98.5	Very high	30 Å²	30	49.8 Å²	49.8	21%	0.21	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.6	-17.6	170.2	-80.7	0	0	0	0	114.4	I130 E131 W139 F141	I130-S133 WeakPolarHBondContact O-CB 3.44Å; I130-S133 PolarHBondContact O-N 2.99Å; E131-S133 PolarHBondContact O-N 2.83Å; E131-S133 VanDerWaalsContact O-N 3.12Å; S133-W139 WeakPolarHBondContact CA-O 3.29Å; S133-W139 WeakPolarHBondContact CB-O 3.27Å; S133-W139 PolarHBondContact OG-O 2.79Å; S133-F141 PolarHBondContact OG-N 3.37Å
134	Q	98.2	Very high	98.5	Very high	177 Å²	177	51.2 Å²	51.2	83%	0.827	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-85.2	-13.8	173.5	-60.2	-178.7	-7.9	0	0	112.9	E131 Y132	E131-Q134 WeakPolarHBondContact O-CB 3.42Å; E131-Q134 PolarHBondContact O-N 3.43Å; Y132-Q134 PolarHBondContact O-N 3.49Å; Y132-Q134 VanDerWaalsContact O-N 3.11Å
135	K	98.4	Very high	98.5	Very high	99 Å²	99	52.2 Å²	52.2	43%	0.43	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-26.7	-178	-66.7	-168.3	-179.8	171.8	0	113.7	V91 D92 Y132	V91-K135 HydrophobicContact CG2-CD 4Å; V91-K135 PolarHBondContact O-NZ 2.73Å; D92-K135 IonicContact OD1-NZ 2.88Å; D92-K135 PolarHBondContact OD1-NZ 3.34Å; D92-K135 IonicContact OD2-NZ 3.46Å; D92-K135 PolarHBondContact OD2-NZ 3.07Å; D92-K135 VanDerWaalsContact OD2-NZ 3.09Å; Y132-K135 HydrophobicContact CD2-CB 3.95Å; Y132-K135 HydrophobicContact CD2-CD 4.21Å; Y132-K135 HydrophobicContact CE2-CB 3.95Å; Y132-K135 HydrophobicContact CE2-CD 4.39Å; Y132-K135 PolarHBondContact O-N 3.2Å
136	S	98.4	Very high	98.5	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.063	25%	0.247	C	C	.	.			trans	-121.7	120.5	-179.3	178.1	0	0	0	0	111.4	E101 Y132 R138 W139	E101-S136 VanDerWaalsContact OE1-CB 3.26Å; E101-S136 WeakPolarHBondContact OE1-CB 3.41Å; E101-S136 PolarHBondContact OE1-OG 3.37Å; Y132-S136 PolarHBondContact O-N 3.42Å; Y132-S136 VanDerWaalsContact O-N 3.09Å; S136-R138 PolarHBondContact O-N 3.15Å; S136-R138 VanDerWaalsContact O-N 3.13Å; S136-W139 PolarHBondContact O-N 2.75Å; S136-W139 VanDerWaalsContact O-N 3.15Å
137	D	96.9	Very high	98.5	Very high	153 Å²	153	50.8 Å²	50.8	82%	0.818	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.1	-179.5	-72.7	-26.9	0	0	0	113.1	K140	D137-K140 WeakPolarHBondContact O-CE 3.26Å; D137-K140 PolarHBondContact O-NZ 3.06Å
138	R	97.9	Very high	98.5	Very high	17 Å²	17	45.7 Å²	45.7	6%	0.064	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-14.2	179.5	67.8	178.2	-174.4	134.9	8	113.8	F100 E101 Y104 L109 V111 W113 S136 K140	F100-R138 HydrophobicContact CE1-CG 4.24Å; F100-R138 HydrophobicContact CZ-CG 4.19Å; F100-R138 VanDerWaalsContact CZ-CZ 3.45Å; F100-R138 PolarHBondContact O-NH2 2.62Å; E101-R138 IonicContact OE2-CZ 3.96Å; E101-R138 VanDerWaalsContact OE2-CZ 3.26Å; E101-R138 IonicContact OE2-NE 3.23Å; E101-R138 PolarHBondContact OE2-NE 2.96Å; E101-R138 IonicContact OE2-NH2 3.21Å; E101-R138 PolarHBondContact OE2-NH2 2.76Å; Y104-R138 PolarHBondContact O-NH1 2.94Å; Y104-R138 PolarHBondContact O-NH2 2.74Å; L109-R138 PolarHBondContact O-NH1 2.93Å; L109-R138 VanDerWaalsContact O-NH1 3.08Å; V111-R138 WeakPolarHBondContact O-CB 3.42Å; W113-R138 WeakPolarHBondContact CB-O 3.43Å; W113-R138 PolarHBondContact N-O 3.45Å; S136-R138 PolarHBondContact O-N 3.15Å; S136-R138 VanDerWaalsContact O-N 3.13Å; R138-K140 PolarHBondContact O-N 2.95Å
139	W	98.8	Very high	98.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	109.9	176.8	-173.7	-92	0	0	0	110.8	W44 N82 F83 F96 F100 V115 Q129 Y132 S133 S136 F141	W44-W139 HydrophobicContact CH2-CH2 4.05Å; W44-W139 AromaticContact CH2-CZ3 3.8Å; W44-W139 HydrophobicContact CH2-CZ3 3.8Å; W44-W139 HydrophobicContact CZ2-CH2 4.23Å; W44-W139 HydrophobicContact CZ2-CZ3 4.13Å; N82-W139 HydrophobicContact CB-CH2 4.19Å; F83-W139 AromaticContact CE2-CH2 3.89Å; F83-W139 HydrophobicContact CE2-CH2 3.89Å; F83-W139 HydrophobicContact CE2-CZ2 4.43Å; F83-W139 HydrophobicContact CZ-CH2 4.18Å; F83-W139 HydrophobicContact CZ-CZ3 4.49Å; F96-W139 HydrophobicContact CE1-CZ2 4.21Å; F100-W139 AromaticContact CD1-CE3 3.93Å; F100-W139 HydrophobicContact CD1-CE3 3.93Å; F100-W139 HydrophobicContact CD1-CZ3 4.24Å; F100-W139 HydrophobicContact CD2-CE3 4.41Å; F100-W139 HydrophobicContact CD2-CZ3 4.14Å; F100-W139 AromaticContact CE1-CE3 3.71Å; F100-W139 HydrophobicContact CE1-CE3 3.71Å; F100-W139 HydrophobicContact CE1-CZ3 4.36Å; F100-W139 HydrophobicContact CE2-CE3 4.22Å; F100-W139 HydrophobicContact CE2-CZ3 4.27Å; F100-W139 HydrophobicContact CG-CE3 4.28Å; F100-W139 HydrophobicContact CG-CZ3 4.14Å; F100-W139 AromaticContact CZ-CE3 3.86Å; F100-W139 HydrophobicContact CZ-CE3 3.86Å; F100-W139 HydrophobicContact CZ-CZ3 4.37Å; V115-W139 HydrophobicContact CB-CZ2 4.22Å; V115-W139 HydrophobicContact CG1-CH2 3.87Å; V115-W139 HydrophobicContact CG1-CZ2 3.76Å; V115-W139 HydrophobicContact CG2-CD2 3.98Å; V115-W139 HydrophobicContact CG2-CE3 4.03Å; V115-W139 HydrophobicContact CG2-CH2 4.02Å; V115-W139 HydrophobicContact CG2-CZ2 3.97Å; V115-W139 HydrophobicContact CG2-CZ3 4.04Å; Q129-W139 HydrophobicContact CB-CZ2 4.13Å; Q129-W139 PolarHBondContact O-NE1 3.4Å; Y132-W139 HydrophobicContact CD1-CB 3.88Å; Y132-W139 AromaticContact CD1-CD1 3.82Å; Y132-W139 AromaticContact CD1-CD2 3.93Å; Y132-W139 HydrophobicContact CD1-CD2 3.93Å; Y132-W139 AromaticContact CD1-CG 3.61Å; Y132-W139 HydrophobicContact CD1-CG 3.61Å; Y132-W139 HydrophobicContact CE1-CB 4.17Å; Y132-W139 HydrophobicContact CE1-CG 4.28Å; S133-W139 WeakPolarHBondContact CA-O 3.29Å; S133-W139 WeakPolarHBondContact CB-O 3.27Å; S133-W139 PolarHBondContact OG-O 2.79Å; S136-W139 PolarHBondContact O-N 2.75Å; S136-W139 VanDerWaalsContact O-N 3.15Å; W139-F141 HydrophobicContact CZ2-CD1 4.41Å
140	K	98.8	Very high	98.3	Very high	70 Å²	70	45.9 Å²	45.9	30%	0.304	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	92.3	-177.8	-55.7	-56.8	176.9	-161.6	0	110.9	P112 W113 Y114 V115 D137 R138 Y146	P112-K140 HydrophobicContact CB-CG 4Å; W113-K140 WeakPolarHBondContact O-CA 3.48Å; W113-K140 VanDerWaalsContact O-CB 3.31Å; W113-K140 WeakPolarHBondContact O-CB 3.26Å; W113-K140 PolarHBondContact O-N 2.85Å; Y114-K140 WeakPolarHBondContact CA-O 3.37Å; Y114-K140 HydrophobicContact CD1-CB 3.53Å; Y114-K140 HydrophobicContact CD1-CG 4.26Å; Y114-K140 HydrophobicContact CE1-CB 3.73Å; Y114-K140 HydrophobicContact CE1-CG 4.02Å; Y114-K140 HydrophobicContact CG-CB 4.43Å; V115-K140 PolarHBondContact N-O 3.39Å; D137-K140 WeakPolarHBondContact O-CE 3.26Å; D137-K140 PolarHBondContact O-NZ 3.06Å; R138-K140 PolarHBondContact O-N 2.95Å; K140-Y146 PolarHBondContact O-OH 2.77Å
141	F	98.8	Very high	98.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.			trans	-131.7	72.4	175.5	-161.8	177	0	0	0	110.1	V115 A117 V126 Q129 I130 S133 W139 S143 Y146	V115-F141 HydrophobicContact CB-CB 4.02Å; V115-F141 HydrophobicContact CB-CD1 4.05Å; V115-F141 HydrophobicContact CB-CG 4.03Å; V115-F141 HydrophobicContact CG1-CD1 3.91Å; V115-F141 HydrophobicContact CG1-CE1 4.24Å; V115-F141 HydrophobicContact CG1-CG 4.4Å; V115-F141 WeakPolarHBondContact O-CD2 3.29Å; V115-F141 VanDerWaalsContact O-CE2 3.29Å; V115-F141 WeakPolarHBondContact O-CE2 3.15Å; A117-F141 HydrophobicContact CB-CE1 4.17Å; A117-F141 HydrophobicContact CB-CZ 3.89Å; V126-F141 HydrophobicContact CG1-CE1 4.05Å; V126-F141 HydrophobicContact CG1-CZ 4.01Å; Q129-F141 HydrophobicContact CB-CD1 3.89Å; Q129-F141 HydrophobicContact CB-CE1 4.07Å; I130-F141 WeakPolarHBondContact CA-O 3.2Å; I130-F141 HydrophobicContact CG1-CD1 4.13Å; I130-F141 HydrophobicContact CG1-CD2 4.02Å; I130-F141 HydrophobicContact CG1-CE1 4.3Å; I130-F141 HydrophobicContact CG1-CE2 4.21Å; I130-F141 HydrophobicContact CG1-CG 3.99Å; I130-F141 HydrophobicContact CG1-CZ 4.33Å; I130-F141 WeakPolarHBondContact CG2-O 3.47Å; S133-F141 PolarHBondContact OG-N 3.37Å; W139-F141 HydrophobicContact CZ2-CD1 4.41Å; F141-S143 VanDerWaalsContact CD2-O 3.29Å; F141-S143 WeakPolarHBondContact CD2-O 3.35Å; F141-S143 WeakPolarHBondContact CE2-O 3.47Å; F141-S143 PolarHBondContact O-N 3.03Å; F141-Y146 HydrophobicContact CD2-CE1 4.08Å; F141-Y146 HydrophobicContact CE2-CE1 4.42Å
142	P	98.1	Very high	98	Very high	86 Å²	86	48 Å²	48	56%	0.558	23%	0.232	S	C	*	.			trans	-71.8	-26.5	-168.8	29.3	-36.7	0	0	0	114.3	Y146	P142-Y146 HydrophobicContact CG-CD1 3.99Å; P142-Y146 HydrophobicContact CG-CD2 3.87Å; P142-Y146 HydrophobicContact CG-CE1 4.36Å; P142-Y146 HydrophobicContact CG-CE2 4.23Å; P142-Y146 HydrophobicContact CG-CG 3.74Å
143	S	98.5	Very high	97.8	Very high	47 Å²	47	48.8 Å²	48.8	33%	0.329	24%	0.238	S	C	.	.	S	Bend	trans	-161.4	165.7	177.6	52.7	0	0	0	0	109.7	F141 Y145 Y146	F141-S143 VanDerWaalsContact CD2-O 3.29Å; F141-S143 WeakPolarHBondContact CD2-O 3.35Å; F141-S143 WeakPolarHBondContact CE2-O 3.47Å; F141-S143 PolarHBondContact O-N 3.03Å; S143-Y145 PolarHBondContact O-N 2.92Å; S143-Y145 PolarHBondContact OG-O 2.73Å; S143-Y146 VanDerWaalsContact O-CD1 3.26Å; S143-Y146 WeakPolarHBondContact O-CD1 3.02Å
144	Y	98.6	Very high	97.5	Very high	77 Å²	77	52.6 Å²	52.6	30%	0.302	26%	0.257	S	S	.	.	S	Bend	trans	-51.1	-42	178.9	-69.1	-86.9	0	0	0	113	V126 I130 D165 M168	V126-Y144 HydrophobicContact CB-CD1 4.5Å; V126-Y144 HydrophobicContact CB-CE1 3.75Å; V126-Y144 HydrophobicContact CG1-CD1 3.7Å; V126-Y144 HydrophobicContact CG1-CE1 3.38Å; I130-Y144 HydrophobicContact CD1-CD1 4.24Å; I130-Y144 HydrophobicContact CD1-CD2 3.77Å; I130-Y144 HydrophobicContact CD1-CE1 4.26Å; I130-Y144 HydrophobicContact CD1-CE2 3.74Å; I130-Y144 HydrophobicContact CD1-CG 4.01Å; Y144-D165 WeakPolarHBondContact CD1-OD2 3.46Å; Y144-D165 WeakPolarHBondContact O-CB 3.2Å; Y144-M168 HydrophobicContact CD1-SD 3.55Å; Y144-M168 VanDerWaalsContact CD1-SD 3.55Å; Y144-M168 HydrophobicContact CD2-SD 4.21Å; Y144-M168 HydrophobicContact CE1-SD 4.22Å; Y144-M168 HydrophobicContact CG-SD 3.53Å; Y144-M168 VanDerWaalsContact CG-SD 3.53Å
145	Y	98.8	Very high	97.3	Very high	54 Å²	54	45.9 Å²	45.9	21%	0.212	23%	0.228	C	C	.	.	S	Bend	trans	-136	143.3	172.6	56.3	-91.1	0	0	0	109.6	S143 M163 Q193 W196	S143-Y145 PolarHBondContact O-N 2.92Å; S143-Y145 PolarHBondContact OG-O 2.73Å; Y145-M163 CarbonylContact C-O 3.41Å; Y145-M163 WeakPolarHBondContact CA-O 3.39Å; Y145-M163 VanDerWaalsContact CB-O 3.28Å; Y145-M163 WeakPolarHBondContact CB-O 3.32Å; Y145-Q193 HydrophobicContact CD1-CB 3.98Å; Y145-Q193 HydrophobicContact CD1-CG 3.55Å; Y145-Q193 HydrophobicContact CD2-CG 4.05Å; Y145-Q193 HydrophobicContact CE1-CB 3.71Å; Y145-Q193 HydrophobicContact CE1-CG 3.82Å; Y145-Q193 HydrophobicContact CE2-CB 4.46Å; Y145-Q193 HydrophobicContact CE2-CG 4.28Å; Y145-Q193 HydrophobicContact CG-CB 4.46Å; Y145-Q193 HydrophobicContact CG-CG 3.67Å; Y145-W196 AromaticContact CD2-CD2 3.65Å; Y145-W196 HydrophobicContact CD2-CD2 3.65Å; Y145-W196 AromaticContact CD2-CE3 3.45Å; Y145-W196 HydrophobicContact CD2-CE3 3.45Å; Y145-W196 VanDerWaalsContact CD2-CE3 3.45Å; Y145-W196 HydrophobicContact CD2-CG 4.28Å; Y145-W196 HydrophobicContact CD2-CH2 4.1Å; Y145-W196 HydrophobicContact CD2-CZ2 4.27Å; Y145-W196 AromaticContact CD2-CZ3 3.7Å; Y145-W196 HydrophobicContact CD2-CZ3 3.7Å; Y145-W196 HydrophobicContact CE2-CB 4.13Å; Y145-W196 AromaticContact CE2-CD2 3.66Å; Y145-W196 HydrophobicContact CE2-CD2 3.66Å; Y145-W196 AromaticContact CE2-CE3 3.86Å; Y145-W196 HydrophobicContact CE2-CE3 3.86Å; Y145-W196 AromaticContact CE2-CG 3.78Å; Y145-W196 HydrophobicContact CE2-CG 3.78Å; Y145-W196 HydrophobicContact CG-CE3 4.45Å; Y145-W196 HydrophobicContact CG-CZ3 4.47Å
146	Y	98.8	Very high	97	Very high	14 Å²	14	45 Å²	45	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	170.9	-173.7	58.6	-81	0	0	0	111.7	Y114 V115 K140 F141 P142 S143 L148 M163	Y114-Y146 VanDerWaalsContact C-OH 3.31Å; Y114-Y146 HydrophobicContact CD1-CE2 4.26Å; V115-Y146 PolarHBondContact N-OH 3.47Å; V115-Y146 WeakPolarHBondContact O-CE1 3.32Å; V115-Y146 PolarHBondContact O-OH 2.83Å; K140-Y146 PolarHBondContact O-OH 2.77Å; F141-Y146 HydrophobicContact CD2-CE1 4.08Å; F141-Y146 HydrophobicContact CE2-CE1 4.42Å; P142-Y146 HydrophobicContact CG-CD1 3.99Å; P142-Y146 HydrophobicContact CG-CD2 3.87Å; P142-Y146 HydrophobicContact CG-CE1 4.36Å; P142-Y146 HydrophobicContact CG-CE2 4.23Å; P142-Y146 HydrophobicContact CG-CG 3.74Å; S143-Y146 VanDerWaalsContact O-CD1 3.26Å; S143-Y146 WeakPolarHBondContact O-CD1 3.02Å; Y146-L148 HydrophobicContact CD2-CD2 4.05Å; Y146-L148 HydrophobicContact CD2-CG 4.15Å; Y146-L148 HydrophobicContact CE2-CD1 4.14Å; Y146-L148 HydrophobicContact CE2-CD2 3.87Å; Y146-L148 HydrophobicContact CE2-CG 3.92Å; Y146-M163 HydrophobicContact CD1-CB 4Å; Y146-M163 HydrophobicContact CD2-CB 4.22Å; Y146-M163 HydrophobicContact CD2-CG 4.02Å; Y146-M163 HydrophobicContact CE1-CB 3.76Å; Y146-M163 HydrophobicContact CE1-CG 4.17Å; Y146-M163 HydrophobicContact CE2-CB 4.01Å; Y146-M163 HydrophobicContact CE2-CG 3.55Å; Y146-M163 HydrophobicContact CG-CB 4.21Å; Y146-M163 PolarHBondContact N-O 2.8Å; Y146-M163 PolarHBondContact O-N 2.96Å
147	E	97.9	Very high	96.9	Very high	19 Å²	19	47.2 Å²	47.2	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141	-179.3	-178.5	-177.8	-121.9	0	0	109.8	A21 N149 T160 I162 W196 R200	A21-E147 WeakPolarHBondContact CB-O 3.23Å; E147-N149 PolarHBondContact OE2-ND2 2.73Å; E147-N149 VanDerWaalsContact OE2-ND2 3.13Å; E147-T160 HydrophobicContact CG-CG2 3.84Å; E147-I162 HydrophobicContact CG-CG1 4.41Å; E147-W196 HydrophobicContact CB-CH2 4.41Å; E147-W196 HydrophobicContact CB-CZ2 4.22Å; E147-R200 IonicContact OE2-NE 3.5Å
148	L	98.3	Very high	97	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131	172.2	-58.7	170.8	0	0	0	108.9	Y114 Y146 F150 T160 I161 M163	Y114-L148 HydrophobicContact CD1-CD1 3.72Å; Y114-L148 HydrophobicContact CD1-CD2 3.64Å; Y114-L148 HydrophobicContact CD1-CG 4.3Å; Y114-L148 HydrophobicContact CD2-CD1 3.63Å; Y114-L148 HydrophobicContact CE1-CD1 4.16Å; Y114-L148 HydrophobicContact CE1-CD2 3.46Å; Y114-L148 VanDerWaalsContact CE1-CD2 3.46Å; Y114-L148 HydrophobicContact CE1-CG 4.46Å; Y114-L148 HydrophobicContact CE2-CD1 4.08Å; Y114-L148 HydrophobicContact CG-CD1 3.43Å; Y114-L148 VanDerWaalsContact CG-CD1 3.43Å; Y114-L148 HydrophobicContact CG-CD2 4.25Å; Y114-L148 HydrophobicContact CG-CG 4.47Å; Y146-L148 HydrophobicContact CD2-CD2 4.05Å; Y146-L148 HydrophobicContact CD2-CG 4.15Å; Y146-L148 HydrophobicContact CE2-CD1 4.14Å; Y146-L148 HydrophobicContact CE2-CD2 3.87Å; Y146-L148 HydrophobicContact CE2-CG 3.92Å; L148-F150 HydrophobicContact CB-CD2 4.41Å; L148-F150 HydrophobicContact CB-CE2 3.55Å; L148-F150 HydrophobicContact CB-CZ 3.88Å; L148-F150 HydrophobicContact CD1-CE2 4.28Å; L148-F150 HydrophobicContact CD1-CZ 4.27Å; L148-F150 HydrophobicContact CG-CE2 4.48Å; L148-F150 HydrophobicContact CG-CZ 4.48Å; L148-T160 CarbonylContact O-C 3.6Å; L148-T160 VanDerWaalsContact O-CA 3.29Å; L148-T160 WeakPolarHBondContact O-CA 3.2Å; L148-I161 HydrophobicContact CB-CB 4.29Å; L148-I161 PolarHBondContact N-O 3.32Å; L148-I161 PolarHBondContact O-N 3.07Å; L148-M163 HydrophobicContact CD1-CG 4.22Å; L148-M163 HydrophobicContact CD1-SD 4.38Å; L148-M163 HydrophobicContact CG-CG 4.49Å
149	N	97.8	Very high	97	Very high	5 Å²	5	40 Å²	40	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.9	-179.4	-68	-49.7	0	0	0	109	A21 F23 Q24 E147 T160	A21-N149 PolarHBondContact O-ND2 3.42Å; F23-N149 WeakPolarHBondContact CA-O 3.45Å; F23-N149 HydrophobicContact CD1-CB 3.86Å; F23-N149 HydrophobicContact CD2-CB 4.07Å; F23-N149 HydrophobicContact CE1-CB 3.89Å; F23-N149 HydrophobicContact CE2-CB 4.11Å; F23-N149 HydrophobicContact CG-CB 3.95Å; F23-N149 HydrophobicContact CZ-CB 4.03Å; Q24-N149 PolarHBondContact N-O 2.96Å; E147-N149 PolarHBondContact OE2-ND2 2.73Å; E147-N149 VanDerWaalsContact OE2-ND2 3.13Å; N149-T160 WeakPolarHBondContact OD1-CB 3.42Å; N149-T160 VanDerWaalsContact OD1-CG2 3.3Å; N149-T160 WeakPolarHBondContact OD1-CG2 3.22Å; N149-T160 PolarHBondContact OD1-OG1 2.9Å
150	F	96.8	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.6	-176.6	-56.7	-77.9	0	0	0	111.7	F23 Q24 L26 I36 F75 Y114 L148 T158 L159 I161	F23-F150 WeakPolarHBondContact CE1-O 3.16Å; Q24-F150 HydrophobicContact CB-CD1 3.97Å; Q24-F150 HydrophobicContact CB-CE1 4.14Å; L26-F150 HydrophobicContact CD1-CD1 4.46Å; L26-F150 HydrophobicContact CD2-CD1 4.21Å; L26-F150 HydrophobicContact CD2-CE1 4.13Å; L26-F150 HydrophobicContact CG-CD1 4.23Å; I36-F150 HydrophobicContact CD1-CB 3.51Å; I36-F150 HydrophobicContact CD1-CG 4.27Å; F75-F150 HydrophobicContact CD1-CZ 4.24Å; F75-F150 HydrophobicContact CE1-CD2 4.47Å; F75-F150 HydrophobicContact CE1-CE1 4.33Å; F75-F150 AromaticContact CE1-CE2 4Å; F75-F150 HydrophobicContact CE1-CE2 4Å; F75-F150 AromaticContact CE1-CZ 3.93Å; F75-F150 HydrophobicContact CE1-CZ 3.93Å; F75-F150 HydrophobicContact CZ-CE2 4.01Å; F75-F150 HydrophobicContact CZ-CZ 4.29Å; Y114-F150 AromaticContact CE2-CZ 3.9Å; Y114-F150 HydrophobicContact CE2-CZ 3.9Å; L148-F150 HydrophobicContact CB-CD2 4.41Å; L148-F150 HydrophobicContact CB-CE2 3.55Å; L148-F150 HydrophobicContact CB-CZ 3.88Å; L148-F150 HydrophobicContact CD1-CE2 4.28Å; L148-F150 HydrophobicContact CD1-CZ 4.27Å; L148-F150 HydrophobicContact CG-CE2 4.48Å; L148-F150 HydrophobicContact CG-CZ 4.48Å; F150-T158 WeakPolarHBondContact O-CA 3.45Å; F150-L159 HydrophobicContact CB-CB 4.36Å; F150-L159 HydrophobicContact CD2-CD2 4.23Å; F150-L159 HydrophobicContact CD2-CG 4.32Å; F150-L159 PolarHBondContact N-O 3.02Å; F150-L159 PolarHBondContact O-N 2.89Å; F150-I161 HydrophobicContact CE2-CD1 4.14Å; F150-I161 HydrophobicContact CE2-CG1 4.45Å
151	R	96.1	Very high	97	Very high	130 Å²	130	36.9 Å²	36.9	49%	0.491	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.9	166.1	-60.8	-173.6	-171.7	-87.3	-1.4	108.9	F23 Q24 D25 P153	F23-R151 HydrophobicContact CB-CG 4.21Å; F23-R151 HydrophobicContact CD1-CG 3.82Å; F23-R151 HydrophobicContact CG-CG 4.31Å; Q24-R151 PolarHBondContact O-N 2.82Å; D25-R151 WeakPolarHBondContact OD1-CD 3.47Å; R151-P153 WeakPolarHBondContact O-CD 2.93Å
152	I	95.6	Very high	97	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-74.7	116.1	174.5	-57.4	174.2	0	0	0	107.1	T34 I36 N154 T155 K157 L159 F208 V305 T306	T34-I152 WeakPolarHBondContact O-CG2 3.41Å; I36-I152 HydrophobicContact CD1-CG1 3.92Å; I36-I152 HydrophobicContact CG1-CG1 4.24Å; I152-N154 PolarHBondContact O-N 2.85Å; I152-T155 WeakPolarHBondContact CB-OG1 3.4Å; I152-T155 HydrophobicContact CG2-CG2 3.85Å; I152-T155 WeakPolarHBondContact CG2-OG1 3.38Å; I152-T155 PolarHBondContact O-N 2.82Å; I152-T155 PolarHBondContact O-OG1 2.92Å; I152-K157 HydrophobicContact CB-CB 4.27Å; I152-K157 HydrophobicContact CD1-CB 3.89Å; I152-K157 HydrophobicContact CG1-CB 4.45Å; I152-K157 PolarHBondContact N-O 3.23Å; I152-L159 HydrophobicContact CG1-CB 4.48Å; I152-F208 HydrophobicContact CD1-CD2 3.92Å; I152-F208 HydrophobicContact CD1-CE2 4.13Å; I152-V305 HydrophobicContact CD1-CB 4.49Å; I152-V305 HydrophobicContact CD1-CG1 3.62Å; I152-T306 WeakPolarHBondContact CD1-O 3.21Å
153	P	93.4	Very high	97	Very high	27 Å²	27	32.8 Å²	32.8	18%	0.175	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	137.3	-169.1	-28.3	36	0	0	0	112.5	R33 T34 R151 T155	R33-P153 HydrophobicContact CB-CB 4.48Å; R33-P153 HydrophobicContact CG-CB 4.34Å; R33-P153 HydrophobicContact CG-CG 4.44Å; R33-P153 CarbonylContact O-C 3.07Å; T34-P153 WeakPolarHBondContact CA-O 3.23Å; R151-P153 WeakPolarHBondContact O-CD 2.93Å; P153-T155 WeakPolarHBondContact O-CG2 3.23Å; P153-T155 PolarHBondContact O-N 2.88Å
154	N	92.4	Very high	97.1	Very high	111 Å²	111	30.5 Å²	30.5	59%	0.594	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	21.2	174.6	-50.3	-56.5	0	0	0	116.8	R31 R33 T34 I152	R31-N154 PolarHBondContact O-ND2 2.74Å; R33-N154 WeakPolarHBondContact O-CB 3.44Å; R33-N154 PolarHBondContact O-ND2 3.03Å; T34-N154 HydrophobicContact CG2-CB 4.45Å; I152-N154 PolarHBondContact O-N 2.85Å
155	T	93.8	Very high	97.1	Very high	36 Å²	36	26.9 Å²	26.9	22%	0.221	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-18.2	179.3	63.5	0	0	0	0	114.2	T34 I152 P153 K157 D307	T34-T155 HydrophobicContact CG2-CG2 4.31Å; T34-T155 WeakPolarHBondContact O-CG2 3.24Å; I152-T155 WeakPolarHBondContact CB-OG1 3.4Å; I152-T155 HydrophobicContact CG2-CG2 3.85Å; I152-T155 WeakPolarHBondContact CG2-OG1 3.38Å; I152-T155 PolarHBondContact O-N 2.82Å; I152-T155 PolarHBondContact O-OG1 2.92Å; P153-T155 WeakPolarHBondContact O-CG2 3.23Å; P153-T155 PolarHBondContact O-N 2.88Å; T155-K157 PolarHBondContact O-N 3.46Å; T155-K157 WeakPolarHBondContact OG1-CB 3.26Å; T155-K157 PolarHBondContact OG1-N 3.49Å; T155-K157 VanDerWaalsContact OG1-N 3.11Å; T155-D307 HydrophobicContact CG2-CB 3.68Å
156	G	93.7	Very high	97.1	Very high	80 Å²	80	24.3 Å²	24.3	83%	0.825	14%	0.138	S	C	*	.	S	Bend	trans	72.4	5.2	-169	0	0	0	0	0	114.1
157	K	96.1	Very high	97.1	Very high	55 Å²	55	24 Å²	24	24%	0.239	14%	0.138	C	C	.	.			trans	-98.2	161.5	-177.3	-60.8	-74.3	179.6	170.7	0	112.1	I152 T155 D207 D307	I152-K157 HydrophobicContact CB-CB 4.27Å; I152-K157 HydrophobicContact CD1-CB 3.89Å; I152-K157 HydrophobicContact CG1-CB 4.45Å; I152-K157 PolarHBondContact N-O 3.23Å; T155-K157 PolarHBondContact O-N 3.46Å; T155-K157 WeakPolarHBondContact OG1-CB 3.26Å; T155-K157 PolarHBondContact OG1-N 3.49Å; T155-K157 VanDerWaalsContact OG1-N 3.11Å; K157-D207 WeakPolarHBondContact CA-OD2 3.37Å; K157-D207 HydrophobicContact CB-CB 4.48Å; K157-D207 HydrophobicContact CD-CB 3.96Å; K157-D207 WeakPolarHBondContact CD-OD1 3.31Å; K157-D207 IonicContact NZ-OD1 3.35Å; K157-D207 PolarHBondContact NZ-OD1 3.48Å; K157-D307 HydrophobicContact CG-CB 4.46Å
158	T	97.5	Very high	97.1	Very high	20 Å²	20	25.1 Å²	25.1	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.9	-172	51.2	0	0	0	0	112.8	F23 F150 A206 D207 F208	F23-T158 HydrophobicContact CD1-CG2 4.27Å; F23-T158 HydrophobicContact CE1-CG2 3.51Å; F23-T158 HydrophobicContact CZ-CG2 3.92Å; F150-T158 WeakPolarHBondContact O-CA 3.45Å; T158-A206 VanDerWaalsContact OG1-CA 3.32Å; T158-A206 WeakPolarHBondContact OG1-CA 3.19Å; T158-D207 PolarHBondContact N-OD2 2.62Å; T158-D207 PolarHBondContact O-N 2.98Å; T158-D207 PolarHBondContact OG1-N 2.9Å; T158-D207 PolarHBondContact OG1-OD2 2.77Å; T158-F208 PolarHBondContact O-N 2.8Å
159	L	98.3	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.9	175.1	168.8	65.1	0	0	0	108.8	I36 F38 F150 I152 I161 F208 L210 V305	I36-L159 HydrophobicContact CD1-CB 4.41Å; I36-L159 HydrophobicContact CD1-CD2 4.21Å; I36-L159 HydrophobicContact CG2-CD2 4.26Å; F38-L159 HydrophobicContact CE1-CD2 4.33Å; F150-L159 HydrophobicContact CB-CB 4.36Å; F150-L159 HydrophobicContact CD2-CD2 4.23Å; F150-L159 HydrophobicContact CD2-CG 4.32Å; F150-L159 PolarHBondContact N-O 3.02Å; F150-L159 PolarHBondContact O-N 2.89Å; I152-L159 HydrophobicContact CG1-CB 4.48Å; L159-I161 HydrophobicContact CD1-CG1 4.14Å; L159-I161 HydrophobicContact CD2-CD1 4.21Å; L159-I161 HydrophobicContact CD2-CG1 4.4Å; L159-I161 HydrophobicContact CG-CD1 4.44Å; L159-I161 HydrophobicContact CG-CG1 4.09Å; L159-F208 WeakPolarHBondContact CA-O 3.45Å; L159-F208 HydrophobicContact CB-CB 4.48Å; L159-F208 HydrophobicContact CD1-CB 3.63Å; L159-L210 HydrophobicContact CD1-CD1 3.86Å; L159-L210 HydrophobicContact CD1-CG 3.91Å; L159-V305 HydrophobicContact CD1-CG2 4.49Å; L159-V305 HydrophobicContact CD2-CG2 4.07Å
160	T	98.7	Very high	97.2	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.3	168.3	-67.5	0	0	0	0	109.7	E147 L148 N149 I162 A206 F208 L209 L210	E147-T160 HydrophobicContact CG-CG2 3.84Å; L148-T160 CarbonylContact O-C 3.6Å; L148-T160 VanDerWaalsContact O-CA 3.29Å; L148-T160 WeakPolarHBondContact O-CA 3.2Å; N149-T160 WeakPolarHBondContact OD1-CB 3.42Å; N149-T160 VanDerWaalsContact OD1-CG2 3.3Å; N149-T160 WeakPolarHBondContact OD1-CG2 3.22Å; N149-T160 PolarHBondContact OD1-OG1 2.9Å; T160-I162 HydrophobicContact CG2-CG1 4.12Å; T160-A206 VanDerWaalsContact OG1-CB 3.26Å; T160-A206 WeakPolarHBondContact OG1-CB 3.04Å; T160-F208 PolarHBondContact N-O 3Å; T160-L209 HydrophobicContact CG2-CD1 3.66Å; T160-L209 WeakPolarHBondContact O-CA 3.12Å; T160-L210 PolarHBondContact O-N 2.95Å
161	I	98.9	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.3	173.5	-45.2	-177.2	0	0	0	108.4	F75 L77 L148 F150 L159 M163 L210	F75-I161 HydrophobicContact CE2-CD1 3.97Å; F75-I161 HydrophobicContact CZ-CD1 3.85Å; L77-I161 HydrophobicContact CD1-CD1 4.18Å; L77-I161 HydrophobicContact CD1-CG2 4.27Å; L77-I161 HydrophobicContact CD2-CD1 4.43Å; L148-I161 HydrophobicContact CB-CB 4.29Å; L148-I161 PolarHBondContact N-O 3.32Å; L148-I161 PolarHBondContact O-N 3.07Å; F150-I161 HydrophobicContact CE2-CD1 4.14Å; F150-I161 HydrophobicContact CE2-CG1 4.45Å; L159-I161 HydrophobicContact CD1-CG1 4.14Å; L159-I161 HydrophobicContact CD2-CD1 4.21Å; L159-I161 HydrophobicContact CD2-CG1 4.4Å; L159-I161 HydrophobicContact CG-CD1 4.44Å; L159-I161 HydrophobicContact CG-CG1 4.09Å; I161-M163 HydrophobicContact CG2-SD 3.56Å; I161-M163 VanDerWaalsContact CG2-SD 3.56Å; I161-L210 CarbonylContact C-O 3.59Å; I161-L210 WeakPolarHBondContact CA-O 3.28Å; I161-L210 HydrophobicContact CB-CB 4.42Å; I161-L210 HydrophobicContact CD1-CD1 4.29Å; I161-L210 HydrophobicContact CG1-CB 4.22Å; I161-L210 HydrophobicContact CG1-CD1 4.23Å; I161-L210 HydrophobicContact CG2-CB 4.1Å
162	I	98.9	Very high	97.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.2	176.6	-59.1	177.7	0	0	0	108.6	E147 T160 L164 W196 L197 R200 L201 L209 L210 V211 A212	E147-I162 HydrophobicContact CG-CG1 4.41Å; T160-I162 HydrophobicContact CG2-CG1 4.12Å; I162-L164 HydrophobicContact CG2-CD2 3.85Å; I162-L164 HydrophobicContact CG2-CG 4.38Å; I162-W196 HydrophobicContact CG2-CH2 3.73Å; I162-W196 HydrophobicContact CG2-CZ3 3.61Å; I162-L197 HydrophobicContact CD1-CD1 4.24Å; I162-L197 HydrophobicContact CG2-CD1 3.88Å; I162-R200 HydrophobicContact CD1-CB 3.84Å; I162-L201 HydrophobicContact CD1-CD2 3.67Å; I162-L201 HydrophobicContact CD1-CG 4.08Å; I162-L209 HydrophobicContact CD1-CD1 4.14Å; I162-L209 HydrophobicContact CG1-CD1 4.34Å; I162-L210 PolarHBondContact N-O 2.86Å; I162-V211 HydrophobicContact CB-CG2 4.31Å; I162-V211 CarbonylContact O-C 3.45Å; I162-V211 WeakPolarHBondContact O-CA 3.41Å; I162-A212 PolarHBondContact O-N 2.85Å
163	M	98.9	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.1	-178.6	-52.8	-63.1	-65.6	0	0	109.4	L77 V116 Y145 Y146 L148 I161 A212	L77-M163 HydrophobicContact CD2-CE 4.19Å; L77-M163 HydrophobicContact CD2-SD 4.19Å; V116-M163 HydrophobicContact CG1-CB 3.68Å; V116-M163 HydrophobicContact CG1-CE 3.78Å; Y145-M163 CarbonylContact C-O 3.41Å; Y145-M163 WeakPolarHBondContact CA-O 3.39Å; Y145-M163 VanDerWaalsContact CB-O 3.28Å; Y145-M163 WeakPolarHBondContact CB-O 3.32Å; Y146-M163 HydrophobicContact CD1-CB 4Å; Y146-M163 HydrophobicContact CD2-CB 4.22Å; Y146-M163 HydrophobicContact CD2-CG 4.02Å; Y146-M163 HydrophobicContact CE1-CB 3.76Å; Y146-M163 HydrophobicContact CE1-CG 4.17Å; Y146-M163 HydrophobicContact CE2-CB 4.01Å; Y146-M163 HydrophobicContact CE2-CG 3.55Å; Y146-M163 HydrophobicContact CG-CB 4.21Å; Y146-M163 PolarHBondContact N-O 2.8Å; Y146-M163 PolarHBondContact O-N 2.96Å; L148-M163 HydrophobicContact CD1-CG 4.22Å; L148-M163 HydrophobicContact CD1-SD 4.38Å; L148-M163 HydrophobicContact CG-CG 4.49Å; I161-M163 HydrophobicContact CG2-SD 3.56Å; I161-M163 VanDerWaalsContact CG2-SD 3.56Å; M163-A212 CarbonylContact C-O 3.58Å; M163-A212 HydrophobicContact CE-CB 4.02Å; M163-A212 HydrophobicContact SD-CB 3.75Å
164	L	98.9	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.131	C	C	.	.			trans	-115	147.6	-173.2	-61.3	-177	0	0	0	112.3	I162 W196 L197 V211 A212 L233	I162-L164 HydrophobicContact CG2-CD2 3.85Å; I162-L164 HydrophobicContact CG2-CG 4.38Å; L164-W196 HydrophobicContact CD2-CZ3 3.98Å; L164-L197 HydrophobicContact CD1-CD1 4.44Å; L164-L197 HydrophobicContact CD1-CD2 4Å; L164-L197 HydrophobicContact CD2-CD1 4.18Å; L164-L197 HydrophobicContact CD2-CD2 4.44Å; L164-V211 HydrophobicContact CD1-CG1 3.51Å; L164-V211 HydrophobicContact CG-CG1 3.98Å; L164-A212 WeakPolarHBondContact CB-O 3.19Å; L164-A212 PolarHBondContact N-O 3.27Å; L164-L233 HydrophobicContact CD1-CD1 4.06Å; L164-L233 HydrophobicContact CD1-CD2 4.19Å
165	D	98.9	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.			trans	-96.5	96.3	165.1	-167	-51.8	0	0	0	109.1	H122 Y144 V167 M168 L169 Q193	H122-D165 IonicContact CD2-OD1 2.62Å; H122-D165 IonicContact CD2-OD2 3.57Å; H122-D165 IonicContact CE1-OD1 2.77Å; H122-D165 IonicContact CE1-OD2 3.27Å; H122-D165 PolarHBondContact CE1-OD2 3.2Å; H122-D165 VanDerWaalsContact NE2-CG 3.27Å; H122-D165 IonicContact NE2-OD1 3.04Å; H122-D165 PolarHBondContact NE2-OD1 2.68Å; H122-D165 VanDerWaalsContact NE2-OD1 3.07Å; H122-D165 IonicContact NE2-OD2 3.68Å; H122-D165 PolarHBondContact NE2-OD2 2.46Å; Y144-D165 WeakPolarHBondContact CD1-OD2 3.46Å; Y144-D165 WeakPolarHBondContact O-CB 3.2Å; D165-V167 VanDerWaalsContact C-N 3.29Å; D165-V167 PolarHBondContact O-N 3.26Å; D165-V167 PolarHBondContact OD1-N 3.14Å; D165-V167 VanDerWaalsContact OD1-N 3.15Å; D165-M168 HydrophobicContact CB-CB 4.09Å; D165-M168 HydrophobicContact CB-CG 4.17Å; D165-M168 HydrophobicContact CB-SD 4.26Å; D165-M168 PolarHBondContact O-N 2.82Å; D165-M168 WeakPolarHBondContact OD1-CG 3.44Å; D165-M168 PolarHBondContact OD1-N 2.71Å; D165-L169 PolarHBondContact O-N 2.93Å; D165-Q193 PolarHBondContact O-NE2 3.21Å; D165-Q193 PolarHBondContact O-OE1 3.23Å
166	T	98.9	Very high	98	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-71.9	-24.9	-176.6	53.9	0	0	0	0	112.5	L169 C170 H214 Y215 L229	T166-L169 PolarHBondContact O-N 3.06Å; T166-C170 VanDerWaalsContact O-CB 3.27Å; T166-C170 WeakPolarHBondContact O-CB 3.44Å; T166-C170 PolarHBondContact O-N 2.7Å; T166-H214 PolarHBondContact OG1-N 3.41Å; T166-Y215 WeakPolarHBondContact OG1-CD2 3.41Å; T166-Y215 PolarHBondContact OG1-N 3.06Å; T166-L229 HydrophobicContact CG2-CD1 4.1Å; T166-L229 HydrophobicContact CG2-CD2 4.3Å
167	V	98.9	Very high	98	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-69.3	-46.6	175.7	178.7	0	0	0	0	110.2	H122 D165 L169 C170 G171 N172 Y215	H122-V167 HydrophobicContact CB-CB 4.49Å; H122-V167 HydrophobicContact CB-CG1 3.81Å; H122-V167 VanDerWaalsContact CD2-CB 3.46Å; H122-V167 WeakPolarHBondContact CD2-CB 3.33Å; D165-V167 VanDerWaalsContact C-N 3.29Å; D165-V167 PolarHBondContact O-N 3.26Å; D165-V167 PolarHBondContact OD1-N 3.14Å; D165-V167 VanDerWaalsContact OD1-N 3.15Å; V167-L169 PolarHBondContact O-N 2.94Å; V167-C170 PolarHBondContact O-N 2.73Å; V167-G171 CarbonylContact O-C 3.54Å; V167-G171 VanDerWaalsContact O-CA 3.32Å; V167-G171 WeakPolarHBondContact O-CA 3.47Å; V167-G171 PolarHBondContact O-N 2.83Å; V167-N172 HydrophobicContact CG1-CB 3.85Å; V167-Y215 HydrophobicContact CG2-CE2 4Å
168	M	98.7	Very high	97.9	Very high	42 Å²	42	25.6 Å²	25.6	21%	0.207	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-31.3	173.2	-73.3	-172.1	72.7	0	0	112.5	Y144 D165 P184 D189 A190	Y144-M168 HydrophobicContact CD1-SD 3.55Å; Y144-M168 VanDerWaalsContact CD1-SD 3.55Å; Y144-M168 HydrophobicContact CD2-SD 4.21Å; Y144-M168 HydrophobicContact CE1-SD 4.22Å; Y144-M168 HydrophobicContact CG-SD 3.53Å; Y144-M168 VanDerWaalsContact CG-SD 3.53Å; D165-M168 HydrophobicContact CB-CB 4.09Å; D165-M168 HydrophobicContact CB-CG 4.17Å; D165-M168 HydrophobicContact CB-SD 4.26Å; D165-M168 PolarHBondContact O-N 2.82Å; D165-M168 WeakPolarHBondContact OD1-CG 3.44Å; D165-M168 PolarHBondContact OD1-N 2.71Å; M168-P184 WeakPolarHBondContact O-CB 3.18Å; M168-D189 HydrophobicContact CE-CB 3.72Å; M168-A190 VanDerWaalsContact O-CB 3.28Å; M168-A190 WeakPolarHBondContact O-CB 3.05Å
169	L	98.7	Very high	97.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-79.6	-33	-179.1	-174	60.3	0	0	0	113.4	D165 T166 V167 L194 L229 K232	D165-L169 PolarHBondContact O-N 2.93Å; T166-L169 PolarHBondContact O-N 3.06Å; V167-L169 PolarHBondContact O-N 2.94Å; L169-L194 HydrophobicContact CD1-CB 4.09Å; L169-L229 HydrophobicContact CD2-CD2 3.88Å; L169-K232 HydrophobicContact CD1-CD 4.14Å; L169-K232 HydrophobicContact CG-CD 4.37Å; L169-K232 PolarHBondContact O-NZ 3.41Å
170	C	98.8	Very high	97.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-124.4	-16.8	-165.6	-64	0	0	0	0	115.7	T166 V167 P181 R182 A183 C228 L229	T166-C170 VanDerWaalsContact O-CB 3.27Å; T166-C170 WeakPolarHBondContact O-CB 3.44Å; T166-C170 PolarHBondContact O-N 2.7Å; V167-C170 PolarHBondContact O-N 2.73Å; C170-P181 HydrophobicContact CB-CB 4.19Å; C170-P181 HydrophobicContact CB-CG 4.37Å; C170-R182 CarbonylContact O-C 3.58Å; C170-A183 CarbonylContact O-C 3.53Å; C170-A183 VanDerWaalsContact O-C 3.25Å; C170-A183 WeakPolarHBondContact O-CA 3.46Å; C170-A183 PolarHBondContact O-N 3.34Å; C170-A183 VanDerWaalsContact O-N 3.17Å; C170-C228 WeakPolarHBondContact CA-SG 3.47Å; C170-C228 HydrophobicContact CB-CB 3.49Å; C170-C228 VanDerWaalsContact CB-CB 3.49Å; C170-C228 WeakPolarHBondContact CB-SG 3.42Å; C170-C228 WeakPolarHBondContact SG-CB 3.49Å; C170-C228 CovalentContact SG-SG 2.04Å; C170-C228 PolarHBondContact SG-SG 3.01Å; C170-L229 VanDerWaalsContact SG-CD2 3.53Å
171	G	98.7	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.01	17%	0.166	C	C	.	.			trans	103.5	163.8	-169.9	0	0	0	0	0	111.8	V167 P181 A183 Y215	V167-G171 CarbonylContact O-C 3.54Å; V167-G171 VanDerWaalsContact O-CA 3.32Å; V167-G171 WeakPolarHBondContact O-CA 3.47Å; V167-G171 PolarHBondContact O-N 2.83Å; G171-P181 VanDerWaalsContact O-CB 3.22Å; G171-P181 WeakPolarHBondContact O-CB 3.27Å; G171-A183 WeakPolarHBondContact CA-O 3.21Å; G171-Y215 WeakPolarHBondContact O-CE2 3.43Å; G171-Y215 PolarHBondContact O-OH 3.06Å
172	N	98.7	Very high	97.5	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.08	20%	0.195	C	C	.	.			trans	-85	131.3	173.4	-164.1	-27.2	0	0	0	109.3	N119 V167 D174	N119-N172 WeakPolarHBondContact CB-OD1 2.99Å; N119-N172 PolarHBondContact O-ND2 3.4Å; V167-N172 HydrophobicContact CG1-CB 3.85Å; N172-D174 VanDerWaalsContact C-N 3.29Å; N172-D174 WeakPolarHBondContact OD1-CB 3.26Å; N172-D174 PolarHBondContact OD1-N 3.42Å
173	S	98.2	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-64.3	-34.6	175	44.4	0	0	0	0	111.7	N119 D175 F176 A179 Y215	N119-S173 WeakPolarHBondContact CB-OG 3.16Å; S173-D175 PolarHBondContact O-N 3.34Å; S173-D175 VanDerWaalsContact O-N 3.15Å; S173-F176 PolarHBondContact O-N 2.95Å; S173-F176 VanDerWaalsContact O-N 3.15Å; S173-A179 WeakPolarHBondContact CB-O 3.23Å; S173-A179 WeakPolarHBondContact O-CA 3.28Å; S173-Y215 WeakPolarHBondContact CB-OH 3.44Å; S173-Y215 PolarHBondContact N-OH 3Å; S173-Y215 PolarHBondContact OG-OH 3.12Å
174	D	96.9	Very high	97.3	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.364	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.6	-14.6	-176.9	-64.7	-7.5	0	0	0	112.9	N119 H120 N172 F176	N119-D174 PolarHBondContact ND2-OD1 3.23Å; H120-D174 IonicContact CE1-OD1 2.88Å; H120-D174 IonicContact CE1-OD2 3.09Å; H120-D174 PolarHBondContact CE1-OD2 2.71Å; H120-D174 IonicContact CG-OD2 2.75Å; H120-D174 IonicContact ND1-OD2 3.26Å; H120-D174 PolarHBondContact ND1-OD2 2.76Å; N172-D174 VanDerWaalsContact C-N 3.29Å; N172-D174 WeakPolarHBondContact OD1-CB 3.26Å; N172-D174 PolarHBondContact OD1-N 3.42Å; D174-F176 PolarHBondContact O-N 3.36Å
175	D	96.1	Very high	97.2	Very high	114 Å²	114	48.2 Å²	48.2	61%	0.61	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-72.4	-11.6	176.1	-66.4	-21.6	0	0	0	112.7	S173	S173-D175 PolarHBondContact O-N 3.34Å; S173-D175 VanDerWaalsContact O-N 3.15Å
176	F	96.1	Very high	97.2	Very high	61 Å²	61	50.1 Å²	50.1	27%	0.268	29%	0.285	S	S	.	.	S	Bend	trans	-131.8	140.7	-173.4	-54.1	-78.6	0	0	0	112.2	S173 D174 D178 A179 Q180 R182	S173-F176 PolarHBondContact O-N 2.95Å; S173-F176 VanDerWaalsContact O-N 3.15Å; D174-F176 PolarHBondContact O-N 3.36Å; F176-D178 VanDerWaalsContact CB-OD1 3.22Å; F176-D178 WeakPolarHBondContact CB-OD1 3.09Å; F176-D178 PolarHBondContact O-N 3.03Å; F176-A179 PolarHBondContact O-N 2.87Å; F176-Q180 VanDerWaalsContact CD2-O 3.26Å; F176-Q180 WeakPolarHBondContact CD2-O 3.31Å; F176-R182 HydrophobicContact CD1-CG 4.12Å; F176-R182 HydrophobicContact CD2-CB 4.39Å; F176-R182 HydrophobicContact CD2-CG 3.87Å; F176-R182 HydrophobicContact CE1-CB 4.29Å; F176-R182 HydrophobicContact CE1-CG 4.03Å; F176-R182 HydrophobicContact CE2-CB 3.79Å; F176-R182 HydrophobicContact CE2-CG 3.78Å; F176-R182 HydrophobicContact CG-CG 4.05Å; F176-R182 HydrophobicContact CZ-CB 3.73Å; F176-R182 HydrophobicContact CZ-CG 3.86Å
177	A	94.3	Very high	97.2	Very high	120 Å²	120	53.7 Å²	53.7	99%	0.992	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.5	-176.4	0	0	0	0	0	114.5	A179	A177-A179 VanDerWaalsContact C-N 3.28Å
178	D	93.1	Very high	97.2	Very high	83 Å²	83	57.4 Å²	57.4	44%	0.444	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.9	174.4	55.6	-0.7	0	0	0	112.9	F176 Q180 R182	F176-D178 VanDerWaalsContact CB-OD1 3.22Å; F176-D178 WeakPolarHBondContact CB-OD1 3.09Å; F176-D178 PolarHBondContact O-N 3.03Å; D178-Q180 HydrophobicContact CB-CG 4.41Å; D178-Q180 PolarHBondContact O-N 2.79Å; D178-Q180 PolarHBondContact OD1-N 3.43Å; D178-R182 IonicContact OD1-NH2 3.95Å; D178-R182 PolarHBondContact OD1-NH2 3.05Å; D178-R182 IonicContact OD2-CZ 3.96Å; D178-R182 IonicContact OD2-NE 3.34Å; D178-R182 IonicContact OD2-NH2 2.73Å; D178-R182 PolarHBondContact OD2-NH2 3.03Å
179	A	95.3	Very high	97.1	Very high	26 Å²	26	57.7 Å²	57.7	22%	0.215	34%	0.339	C	S	.	.			trans	52.2	36.8	-176.7	0	0	0	0	0	113.2	S173 F176 A177 H223	S173-A179 WeakPolarHBondContact CB-O 3.23Å; S173-A179 WeakPolarHBondContact O-CA 3.28Å; F176-A179 PolarHBondContact O-N 2.87Å; A177-A179 VanDerWaalsContact C-N 3.28Å; A179-H223 PolarHBondContact O-ND1 3.07Å
180	Q	97.7	Very high	97.1	Very high	35 Å²	35	57.8 Å²	57.8	16%	0.164	34%	0.34	C	S	.	.			trans	-114	125.4	178.4	-68.9	-67.2	-50.4	0	0	110.9	F176 D178 R182 H223	F176-Q180 VanDerWaalsContact CD2-O 3.26Å; F176-Q180 WeakPolarHBondContact CD2-O 3.31Å; D178-Q180 HydrophobicContact CB-CG 4.41Å; D178-Q180 PolarHBondContact O-N 2.79Å; D178-Q180 PolarHBondContact OD1-N 3.43Å; Q180-R182 PolarHBondContact O-N 2.99Å; Q180-H223 PolarHBondContact NE2-O 2.85Å
181	P	97.5	Very high	97.1	Very high	12 Å²	12	62.3 Å²	62.3	8%	0.078	36%	0.364	C	S	.	.			trans	-71.1	123.2	177.8	30.7	-35.4	0	0	0	110.5	C170 G171 Y215 T226	C170-P181 HydrophobicContact CB-CB 4.19Å; C170-P181 HydrophobicContact CB-CG 4.37Å; G171-P181 VanDerWaalsContact O-CB 3.22Å; G171-P181 WeakPolarHBondContact O-CB 3.27Å; P181-Y215 HydrophobicContact CB-CE2 3.91Å; P181-Y215 HydrophobicContact CG-CD2 4.07Å; P181-Y215 HydrophobicContact CG-CE2 3.81Å; P181-T226 HydrophobicContact CG-CG2 3.71Å
182	R	94.9	Very high	97.1	Very high	159 Å²	159	69.1 Å²	69.1	60%	0.6	39%	0.389	S	S	*	.			trans	-100.6	-44.5	-175.2	-58.4	-170.2	-176.7	178.3	-4.7	113.9	C170 F176 D178 Q180	C170-R182 CarbonylContact O-C 3.58Å; F176-R182 HydrophobicContact CD1-CG 4.12Å; F176-R182 HydrophobicContact CD2-CB 4.39Å; F176-R182 HydrophobicContact CD2-CG 3.87Å; F176-R182 HydrophobicContact CE1-CB 4.29Å; F176-R182 HydrophobicContact CE1-CG 4.03Å; F176-R182 HydrophobicContact CE2-CB 3.79Å; F176-R182 HydrophobicContact CE2-CG 3.78Å; F176-R182 HydrophobicContact CG-CG 4.05Å; F176-R182 HydrophobicContact CZ-CB 3.73Å; F176-R182 HydrophobicContact CZ-CG 3.86Å; D178-R182 IonicContact OD1-NH2 3.95Å; D178-R182 PolarHBondContact OD1-NH2 3.05Å; D178-R182 IonicContact OD2-CZ 3.96Å; D178-R182 IonicContact OD2-NE 3.34Å; D178-R182 IonicContact OD2-NH2 2.73Å; D178-R182 PolarHBondContact OD2-NH2 3.03Å; Q180-R182 PolarHBondContact O-N 2.99Å
183	A	96.9	Very high	97.1	Very high	59 Å²	59	68.4 Å²	68.4	49%	0.488	39%	0.386	S	S	.	.	S	Bend	trans	-153.9	144.1	-179.1	0	0	0	0	0	111.2	C170 G171	C170-A183 CarbonylContact O-C 3.53Å; C170-A183 VanDerWaalsContact O-C 3.25Å; C170-A183 WeakPolarHBondContact O-CA 3.46Å; C170-A183 PolarHBondContact O-N 3.34Å; C170-A183 VanDerWaalsContact O-N 3.17Å; G171-A183 WeakPolarHBondContact CA-O 3.21Å
184	P	97.7	Very high	97.2	Very high	28 Å²	28	69.6 Å²	69.6	18%	0.182	39%	0.392	C	S	.	.			trans	-65.8	147.1	176.2	30.7	-36.7	0	0	0	111.3	M168 S186 A190	M168-P184 WeakPolarHBondContact O-CB 3.18Å; P184-S186 PolarHBondContact O-N 3.49Å; P184-A190 HydrophobicContact CB-CB 3.66Å; P184-A190 HydrophobicContact CG-CB 3.57Å
185	L	97.4	Very high	97.2	Very high	180 Å²	180	70 Å²	70	94%	0.942	40%	0.397	S	S	*	.	S	Bend	trans	-56.3	-38.7	174.3	-179.1	63.4	0	0	0	112
186	S	98.4	Very high	97.4	Very high	40 Å²	40	66.8 Å²	66.8	28%	0.28	38%	0.376	S	S	.	.			trans	-126.6	108.4	176.4	171.8	0	0	0	0	110.2	P184 V188 D189 A190	P184-S186 PolarHBondContact O-N 3.49Å; S186-V188 PolarHBondContact O-N 3.31Å; S186-D189 WeakPolarHBondContact CB-OD2 3.4Å; S186-D189 PolarHBondContact O-N 2.88Å; S186-D189 VanDerWaalsContact OG-CG 3.32Å; S186-D189 PolarHBondContact OG-N 2.98Å; S186-D189 PolarHBondContact OG-OD2 3.17Å; S186-A190 WeakPolarHBondContact O-CB 3.09Å; S186-A190 PolarHBondContact O-N 2.83Å
187	A	98.3	Very high	97.5	Very high	74 Å²	74	64 Å²	64	61%	0.612	36%	0.364	S	S	*	.	H	α-helix	trans	-61.4	-31	175.9	0	0	0	0	0	112.4	N191	A187-N191 VanDerWaalsContact O-CB 3.31Å; A187-N191 WeakPolarHBondContact O-CB 3.33Å; A187-N191 PolarHBondContact O-N 2.95Å
188	V	98.4	Very high	97.7	Very high	87 Å²	87	62.2 Å²	62.2	53%	0.527	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-47.4	177.5	175.4	0	0	0	0	110.5	S186 N191 R192	S186-V188 PolarHBondContact O-N 3.31Å; V188-N191 PolarHBondContact O-N 2.87Å; V188-R192 WeakPolarHBondContact O-CG 3.36Å; V188-R192 PolarHBondContact O-N 2.95Å
189	D	98.3	Very high	97.9	Very high	48 Å²	48	60.5 Å²	60.5	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-71	-38.1	-179.5	-63	-48.6	0	0	0	112.1	M168 S186 N191 R192 Q193	M168-D189 HydrophobicContact CE-CB 3.72Å; S186-D189 WeakPolarHBondContact CB-OD2 3.4Å; S186-D189 PolarHBondContact O-N 2.88Å; S186-D189 VanDerWaalsContact OG-CG 3.32Å; S186-D189 PolarHBondContact OG-N 2.98Å; S186-D189 PolarHBondContact OG-OD2 3.17Å; D189-N191 VanDerWaalsContact C-N 3.27Å; D189-N191 PolarHBondContact O-N 2.81Å; D189-R192 PolarHBondContact O-N 3.25Å; D189-R192 IonicContact OD1-CZ 2.67Å; D189-R192 IonicContact OD1-NE 3.57Å; D189-R192 IonicContact OD1-NH1 3.92Å; D189-R192 PolarHBondContact OD1-NH1 3.13Å; D189-Q193 PolarHBondContact O-N 3.02Å
190	A	98.6	Very high	98.1	Very high	3 Å²	3	60 Å²	60	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-43.1	170.7	0	0	0	0	0	111.7	M168 P184 S186 L194	M168-A190 VanDerWaalsContact O-CB 3.28Å; M168-A190 WeakPolarHBondContact O-CB 3.05Å; P184-A190 HydrophobicContact CB-CB 3.66Å; P184-A190 HydrophobicContact CG-CB 3.57Å; S186-A190 WeakPolarHBondContact O-CB 3.09Å; S186-A190 PolarHBondContact O-N 2.83Å; A190-L194 WeakPolarHBondContact O-CB 2.97Å; A190-L194 PolarHBondContact O-N 3.06Å
191	N	98.5	Very high	98.1	Very high	95 Å²	95	58.4 Å²	58.4	51%	0.508	31%	0.311	S	S	.	.	H	α-helix	trans	-69.7	-38.3	177.6	-171.5	70.5	0	0	0	112.3	A187 V188 D189 Q193 L194 V195	A187-N191 VanDerWaalsContact O-CB 3.31Å; A187-N191 WeakPolarHBondContact O-CB 3.33Å; A187-N191 PolarHBondContact O-N 2.95Å; V188-N191 PolarHBondContact O-N 2.87Å; D189-N191 VanDerWaalsContact C-N 3.27Å; D189-N191 PolarHBondContact O-N 2.81Å; N191-Q193 PolarHBondContact O-N 3.15Å; N191-L194 PolarHBondContact O-N 3.33Å; N191-V195 WeakPolarHBondContact O-CB 3.31Å; N191-V195 WeakPolarHBondContact O-CG2 3.5Å; N191-V195 PolarHBondContact O-N 3.15Å
192	R	98.7	Very high	98.1	Very high	144 Å²	144	60.7 Å²	60.7	54%	0.543	33%	0.331	S	S	.	.	H	α-helix	trans	-58.4	-47.4	173.8	-73.6	172.4	-171.4	162.7	-2.8	111.3	V188 D189 W196	V188-R192 WeakPolarHBondContact O-CG 3.36Å; V188-R192 PolarHBondContact O-N 2.95Å; D189-R192 PolarHBondContact O-N 3.25Å; D189-R192 IonicContact OD1-CZ 2.67Å; D189-R192 IonicContact OD1-NE 3.57Å; D189-R192 IonicContact OD1-NH1 3.92Å; D189-R192 PolarHBondContact OD1-NH1 3.13Å; R192-W196 VanDerWaalsContact O-CB 3.28Å; R192-W196 WeakPolarHBondContact O-CB 3.38Å; R192-W196 PolarHBondContact O-N 3.19Å
193	Q	98.8	Very high	98.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-43.3	176.4	-173.5	178.1	172.1	0	0	111.6	Y145 D165 D189 N191 W196 L197	Y145-Q193 HydrophobicContact CD1-CB 3.98Å; Y145-Q193 HydrophobicContact CD1-CG 3.55Å; Y145-Q193 HydrophobicContact CD2-CG 4.05Å; Y145-Q193 HydrophobicContact CE1-CB 3.71Å; Y145-Q193 HydrophobicContact CE1-CG 3.82Å; Y145-Q193 HydrophobicContact CE2-CB 4.46Å; Y145-Q193 HydrophobicContact CE2-CG 4.28Å; Y145-Q193 HydrophobicContact CG-CB 4.46Å; Y145-Q193 HydrophobicContact CG-CG 3.67Å; D165-Q193 PolarHBondContact O-NE2 3.21Å; D165-Q193 PolarHBondContact O-OE1 3.23Å; D189-Q193 PolarHBondContact O-N 3.02Å; N191-Q193 PolarHBondContact O-N 3.15Å; Q193-W196 PolarHBondContact O-N 3.09Å; Q193-L197 WeakPolarHBondContact O-CB 3.33Å; Q193-L197 PolarHBondContact O-N 2.89Å
194	L	98.7	Very high	98.1	Very high	25 Å²	25	58.6 Å²	58.6	13%	0.131	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-44.3	179.8	-177	60.5	0	0	0	112.6	L169 A190 N191 L197 Q198 K232 L236	L169-L194 HydrophobicContact CD1-CB 4.09Å; A190-L194 WeakPolarHBondContact O-CB 2.97Å; A190-L194 PolarHBondContact O-N 3.06Å; N191-L194 PolarHBondContact O-N 3.33Å; L194-L197 PolarHBondContact O-N 3.35Å; L194-Q198 VanDerWaalsContact O-CG 3.28Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 3.35Å; L194-K232 HydrophobicContact CD1-CB 4.31Å; L194-K232 HydrophobicContact CD2-CD 4.35Å; L194-L236 HydrophobicContact CD1-CD1 4Å
195	V	98.6	Very high	98	Very high	76 Å²	76	64.7 Å²	64.7	46%	0.461	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-42	176.5	170.3	0	0	0	0	110.6	N191 Q198 D199	N191-V195 WeakPolarHBondContact O-CB 3.31Å; N191-V195 WeakPolarHBondContact O-CG2 3.5Å; N191-V195 PolarHBondContact O-N 3.15Å; V195-Q198 PolarHBondContact O-N 3.47Å; V195-D199 PolarHBondContact O-N 2.8Å
196	W	98.7	Very high	98	Very high	47 Å²	47	56.2 Å²	56.2	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-46.4	174.4	173.8	89.7	0	0	0	111.7	Y145 E147 I162 L164 R192 Q193 Q198 D199 R200	Y145-W196 AromaticContact CD2-CD2 3.65Å; Y145-W196 HydrophobicContact CD2-CD2 3.65Å; Y145-W196 AromaticContact CD2-CE3 3.45Å; Y145-W196 HydrophobicContact CD2-CE3 3.45Å; Y145-W196 VanDerWaalsContact CD2-CE3 3.45Å; Y145-W196 HydrophobicContact CD2-CG 4.28Å; Y145-W196 HydrophobicContact CD2-CH2 4.1Å; Y145-W196 HydrophobicContact CD2-CZ2 4.27Å; Y145-W196 AromaticContact CD2-CZ3 3.7Å; Y145-W196 HydrophobicContact CD2-CZ3 3.7Å; Y145-W196 HydrophobicContact CE2-CB 4.13Å; Y145-W196 AromaticContact CE2-CD2 3.66Å; Y145-W196 HydrophobicContact CE2-CD2 3.66Å; Y145-W196 AromaticContact CE2-CE3 3.86Å; Y145-W196 HydrophobicContact CE2-CE3 3.86Å; Y145-W196 AromaticContact CE2-CG 3.78Å; Y145-W196 HydrophobicContact CE2-CG 3.78Å; Y145-W196 HydrophobicContact CG-CE3 4.45Å; Y145-W196 HydrophobicContact CG-CZ3 4.47Å; E147-W196 HydrophobicContact CB-CH2 4.41Å; E147-W196 HydrophobicContact CB-CZ2 4.22Å; I162-W196 HydrophobicContact CG2-CH2 3.73Å; I162-W196 HydrophobicContact CG2-CZ3 3.61Å; L164-W196 HydrophobicContact CD2-CZ3 3.98Å; R192-W196 VanDerWaalsContact O-CB 3.28Å; R192-W196 WeakPolarHBondContact O-CB 3.38Å; R192-W196 PolarHBondContact O-N 3.19Å; Q193-W196 PolarHBondContact O-N 3.09Å; W196-Q198 PolarHBondContact O-N 2.77Å; W196-D199 PolarHBondContact O-N 3.02Å; W196-R200 HydrophobicContact CD2-CG 4.03Å; W196-R200 HydrophobicContact CE3-CG 4.46Å; W196-R200 HydrophobicContact CH2-CG 4.24Å; W196-R200 HydrophobicContact CZ2-CG 3.78Å; W196-R200 WeakPolarHBondContact O-CG 3.5Å; W196-R200 PolarHBondContact O-N 3.37Å
197	L	98.8	Very high	97.9	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-45.5	177.3	169.4	63.9	0	0	0	111.6	I162 L164 Q193 L194 D199 R200 L201 L233 L236	I162-L197 HydrophobicContact CD1-CD1 4.24Å; I162-L197 HydrophobicContact CG2-CD1 3.88Å; L164-L197 HydrophobicContact CD1-CD1 4.44Å; L164-L197 HydrophobicContact CD1-CD2 4Å; L164-L197 HydrophobicContact CD2-CD1 4.18Å; L164-L197 HydrophobicContact CD2-CD2 4.44Å; Q193-L197 WeakPolarHBondContact O-CB 3.33Å; Q193-L197 PolarHBondContact O-N 2.89Å; L194-L197 PolarHBondContact O-N 3.35Å; L197-D199 VanDerWaalsContact C-N 3.31Å; L197-D199 PolarHBondContact O-N 2.76Å; L197-R200 PolarHBondContact O-N 3.3Å; L197-L201 HydrophobicContact CD1-CD1 3.65Å; L197-L201 HydrophobicContact CD1-CD2 4.35Å; L197-L201 HydrophobicContact CD1-CG 3.7Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.47Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 2.81Å; L197-L233 HydrophobicContact CD2-CD1 3.6Å; L197-L236 HydrophobicContact CD2-CD1 4.04Å; L197-L236 HydrophobicContact CG-CD1 4.35Å
198	Q	98.7	Very high	97.9	Very high	83 Å²	83	52 Å²	52	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-42.8	177.4	-74.1	170.9	-10.6	0	0	111.7	L194 V195 W196 A202 L236	L194-Q198 VanDerWaalsContact O-CG 3.28Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 3.35Å; V195-Q198 PolarHBondContact O-N 3.47Å; W196-Q198 PolarHBondContact O-N 2.77Å; Q198-A202 VanDerWaalsContact O-CB 3.23Å; Q198-A202 WeakPolarHBondContact O-CB 3.29Å; Q198-A202 PolarHBondContact O-N 3.01Å; Q198-L236 HydrophobicContact CG-CD1 3.76Å; Q198-L236 HydrophobicContact CG-CD2 4.02Å
199	D	98.3	Very high	98	Very high	48 Å²	48	47.8 Å²	47.8	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-47.4	175.6	177.9	80.4	0	0	0	111.8	V195 W196 L197 A202 R203	V195-D199 PolarHBondContact O-N 2.8Å; W196-D199 PolarHBondContact O-N 3.02Å; L197-D199 VanDerWaalsContact C-N 3.31Å; L197-D199 PolarHBondContact O-N 2.76Å; D199-A202 PolarHBondContact O-N 2.93Å; D199-R203 VanDerWaalsContact CG-NE 3.29Å; D199-R203 WeakPolarHBondContact O-CB 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.24Å; D199-R203 PolarHBondContact O-N 3.18Å; D199-R203 IonicContact OD1-CZ 3.28Å; D199-R203 VanDerWaalsContact OD1-CZ 3.28Å; D199-R203 IonicContact OD1-NE 2.74Å; D199-R203 PolarHBondContact OD1-NE 2.85Å; D199-R203 IonicContact OD1-NH2 2.94Å; D199-R203 PolarHBondContact OD1-NH2 3.38Å; D199-R203 IonicContact OD2-CZ 3.95Å; D199-R203 IonicContact OD2-NE 3.2Å; D199-R203 PolarHBondContact OD2-NE 2.76Å
200	R	97.9	Very high	98	Very high	16 Å²	16	45.6 Å²	45.6	6%	0.06	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-46.3	179.7	-66	-56	-176.6	-121.7	15.6	112.6	C18 Y19 E147 I162 W196 L197 A202 R203 S204	C18-R200 PolarHBondContact O-NH2 3.47Å; Y19-R200 PolarHBondContact O-NH2 3.27Å; Y19-R200 VanDerWaalsContact O-NH2 3.16Å; E147-R200 IonicContact OE2-NE 3.5Å; I162-R200 HydrophobicContact CD1-CB 3.84Å; W196-R200 HydrophobicContact CD2-CG 4.03Å; W196-R200 HydrophobicContact CE3-CG 4.46Å; W196-R200 HydrophobicContact CH2-CG 4.24Å; W196-R200 HydrophobicContact CZ2-CG 3.78Å; W196-R200 WeakPolarHBondContact O-CG 3.5Å; W196-R200 PolarHBondContact O-N 3.37Å; L197-R200 PolarHBondContact O-N 3.3Å; R200-A202 VanDerWaalsContact C-N 3.33Å; R200-A202 PolarHBondContact O-N 2.8Å; R200-R203 PolarHBondContact O-N 3.07Å; R200-S204 WeakPolarHBondContact O-CB 3.23Å; R200-S204 PolarHBondContact O-N 3.29Å
201	L	97.8	Very high	98	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-38.8	175.9	-70.4	176.8	0	0	0	112.5	I162 L197 L209 V211 L236 H240 V242	I162-L201 HydrophobicContact CD1-CD2 3.67Å; I162-L201 HydrophobicContact CD1-CG 4.08Å; L197-L201 HydrophobicContact CD1-CD1 3.65Å; L197-L201 HydrophobicContact CD1-CD2 4.35Å; L197-L201 HydrophobicContact CD1-CG 3.7Å; L197-L201 HydrophobicContact CG-CD1 3.9Å; L197-L201 HydrophobicContact CG-CG 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.47Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 2.81Å; L201-L209 HydrophobicContact CD2-CD2 3.77Å; L201-L209 HydrophobicContact CD2-CG 4.36Å; L201-V211 HydrophobicContact CD2-CG2 4.14Å; L201-L236 HydrophobicContact CD1-CB 3.65Å; L201-L236 HydrophobicContact CD1-CD1 4.39Å; L201-H240 HydrophobicContact CB-CB 4.2Å; L201-H240 PolarHBondContact O-ND1 2.8Å; L201-H240 VanDerWaalsContact O-ND1 3.16Å; L201-V242 HydrophobicContact CD2-CG2 3.83Å
202	A	97.1	Very high	98	Very high	60 Å²	60	40.9 Å²	40.9	50%	0.496	19%	0.193	S	C	.	.	H	α-helix	trans	-69.1	-34.3	178.8	0	0	0	0	0	113	Q198 D199 R200	Q198-A202 VanDerWaalsContact O-CB 3.23Å; Q198-A202 WeakPolarHBondContact O-CB 3.29Å; Q198-A202 PolarHBondContact O-N 3.01Å; D199-A202 PolarHBondContact O-N 2.93Å; R200-A202 VanDerWaalsContact C-N 3.33Å; R200-A202 PolarHBondContact O-N 2.8Å
203	R	95.7	Very high	98	Very high	161 Å²	161	34 Å²	34	61%	0.608	17%	0.167	S	C	*	.	H	α-helix	trans	-84.4	-26.4	-179.8	-69.2	-179.1	-167.8	-123.1	2.6	113.8	D199 R200 K205	D199-R203 VanDerWaalsContact CG-NE 3.29Å; D199-R203 WeakPolarHBondContact O-CB 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.24Å; D199-R203 PolarHBondContact O-N 3.18Å; D199-R203 IonicContact OD1-CZ 3.28Å; D199-R203 VanDerWaalsContact OD1-CZ 3.28Å; D199-R203 IonicContact OD1-NE 2.74Å; D199-R203 PolarHBondContact OD1-NE 2.85Å; D199-R203 IonicContact OD1-NH2 2.94Å; D199-R203 PolarHBondContact OD1-NH2 3.38Å; D199-R203 IonicContact OD2-CZ 3.95Å; D199-R203 IonicContact OD2-NE 3.2Å; D199-R203 PolarHBondContact OD2-NE 2.76Å; R200-R203 PolarHBondContact O-N 3.07Å; R203-K205 PolarHBondContact O-N 2.92Å
204	S	96.1	Very high	98	Very high	12 Å²	12	34 Å²	34	8%	0.084	17%	0.167	C	C	.	.			trans	-63.5	119.7	-172.6	-178	0	0	0	0	112.6	R200 A206 R330	R200-S204 WeakPolarHBondContact O-CB 3.23Å; R200-S204 PolarHBondContact O-N 3.29Å; S204-A206 PolarHBondContact OG-N 2.74Å; S204-R330 PolarHBondContact O-NH1 3.21Å
205	K	95.7	Very high	98.1	Very high	157 Å²	157	32.8 Å²	32.8	68%	0.683	16%	0.161	S	C	*	.			trans	-101.6	14	170.4	-58.9	-56.8	-175.5	-178.5	0	112.6	R203 F332	R203-K205 PolarHBondContact O-N 2.92Å; K205-F332 HydrophobicContact CD-CE1 4.42Å
206	A	97.2	Very high	98.1	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	14%	0.139	C	C	.	.			trans	-65.8	138.3	-177.8	0	0	0	0	0	111.8	T158 T160 S204 F208 R330 F332	T158-A206 VanDerWaalsContact OG1-CA 3.32Å; T158-A206 WeakPolarHBondContact OG1-CA 3.19Å; T160-A206 VanDerWaalsContact OG1-CB 3.26Å; T160-A206 WeakPolarHBondContact OG1-CB 3.04Å; S204-A206 PolarHBondContact OG-N 2.74Å; A206-F208 VanDerWaalsContact C-N 3.26Å; A206-F208 WeakPolarHBondContact CB-O 3.48Å; A206-F208 PolarHBondContact O-N 2.6Å; A206-R330 PolarHBondContact O-NH1 3.19Å; A206-F332 WeakPolarHBondContact O-CZ 3.22Å
207	D	97.9	Very high	98.1	Very high	24 Å²	24	27 Å²	27	13%	0.128	13%	0.13	C	C	.	.	S	Bend	trans	-63.3	-36.2	177.5	-54.6	-94.1	0	0	0	110.9	K157 T158 Q329 R330	K157-D207 WeakPolarHBondContact CA-OD2 3.37Å; K157-D207 HydrophobicContact CB-CB 4.48Å; K157-D207 HydrophobicContact CD-CB 3.96Å; K157-D207 WeakPolarHBondContact CD-OD1 3.31Å; K157-D207 IonicContact NZ-OD1 3.35Å; K157-D207 PolarHBondContact NZ-OD1 3.48Å; T158-D207 PolarHBondContact N-OD2 2.62Å; T158-D207 PolarHBondContact O-N 2.98Å; T158-D207 PolarHBondContact OG1-N 2.9Å; T158-D207 PolarHBondContact OG1-OD2 2.77Å; D207-Q329 HydrophobicContact CB-CB 4.48Å; D207-R330 WeakPolarHBondContact O-CB 3.42Å; D207-R330 WeakPolarHBondContact O-CG 3.47Å; D207-R330 PolarHBondContact O-N 2.8Å
208	F	98.6	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.4	168.4	-65.4	-90.1	0	0	0	109.6	I152 T158 L159 T160 A206 T243 V305 T306 L310 Q329	I152-F208 HydrophobicContact CD1-CD2 3.92Å; I152-F208 HydrophobicContact CD1-CE2 4.13Å; T158-F208 PolarHBondContact O-N 2.8Å; L159-F208 WeakPolarHBondContact CA-O 3.45Å; L159-F208 HydrophobicContact CB-CB 4.48Å; L159-F208 HydrophobicContact CD1-CB 3.63Å; T160-F208 PolarHBondContact N-O 3Å; A206-F208 VanDerWaalsContact C-N 3.26Å; A206-F208 WeakPolarHBondContact CB-O 3.48Å; A206-F208 PolarHBondContact O-N 2.6Å; F208-T243 HydrophobicContact CD1-CG2 4.16Å; F208-V305 HydrophobicContact CB-CG1 4.22Å; F208-V305 HydrophobicContact CD1-CG1 3.94Å; F208-V305 HydrophobicContact CD2-CG1 3.38Å; F208-V305 HydrophobicContact CE1-CG1 4.13Å; F208-V305 HydrophobicContact CE2-CG1 3.59Å; F208-V305 HydrophobicContact CG-CG1 3.56Å; F208-V305 HydrophobicContact CZ-CG1 3.96Å; F208-T306 WeakPolarHBondContact CE2-O 3.37Å; F208-L310 HydrophobicContact CD1-CB 4.01Å; F208-L310 HydrophobicContact CE1-CB 3.83Å; F208-Q329 HydrophobicContact CD2-CB 4.43Å; F208-Q329 HydrophobicContact CE1-CB 3.99Å; F208-Q329 HydrophobicContact CE2-CB 3.87Å; F208-Q329 HydrophobicContact CZ-CB 3.63Å
209	L	98.7	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.5	176.1	-177.6	55.9	0	0	0	108.7	T160 I162 L201 V242 T243 R330	T160-L209 HydrophobicContact CG2-CD1 3.66Å; T160-L209 WeakPolarHBondContact O-CA 3.12Å; I162-L209 HydrophobicContact CD1-CD1 4.14Å; I162-L209 HydrophobicContact CG1-CD1 4.34Å; L201-L209 HydrophobicContact CD2-CD2 3.77Å; L201-L209 HydrophobicContact CD2-CG 4.36Å; L209-V242 HydrophobicContact CD2-CG2 3.99Å; L209-V242 HydrophobicContact CG-CG2 4.18Å; L209-V242 VanDerWaalsContact O-CG1 3.29Å; L209-V242 WeakPolarHBondContact O-CG1 3.27Å; L209-T243 PolarHBondContact N-OG1 3.2Å; L209-T243 WeakPolarHBondContact O-CB 3.5Å; L209-T243 PolarHBondContact O-N 2.88Å; L209-R330 VanDerWaalsContact CB-CD 3.49Å
210	L	98.9	Very high	98.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148.3	176.2	-53.2	-177	0	0	0	109.4	F38 L159 T160 I161 I162 T243 A244 L246 L310	F38-L210 HydrophobicContact CZ-CD1 3.78Å; L159-L210 HydrophobicContact CD1-CD1 3.86Å; L159-L210 HydrophobicContact CD1-CG 3.91Å; T160-L210 PolarHBondContact O-N 2.95Å; I161-L210 CarbonylContact C-O 3.59Å; I161-L210 WeakPolarHBondContact CA-O 3.28Å; I161-L210 HydrophobicContact CB-CB 4.42Å; I161-L210 HydrophobicContact CD1-CD1 4.29Å; I161-L210 HydrophobicContact CG1-CB 4.22Å; I161-L210 HydrophobicContact CG1-CD1 4.23Å; I161-L210 HydrophobicContact CG2-CB 4.1Å; I162-L210 PolarHBondContact N-O 2.86Å; L210-T243 HydrophobicContact CD2-CG2 4.44Å; L210-A244 WeakPolarHBondContact CA-O 3.36Å; L210-A244 HydrophobicContact CD2-CB 3.95Å; L210-L246 HydrophobicContact CB-CD1 3.85Å; L210-L246 HydrophobicContact CD1-CD1 4.19Å; L210-L246 HydrophobicContact CD2-CD1 4.5Å; L210-L246 HydrophobicContact CG-CD1 4.4Å; L210-L310 HydrophobicContact CD2-CD2 3.84Å
211	V	98.9	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.6	169	-179.4	0	0	0	0	107.4	I162 L164 L201 L233 L237 V242 A244 Y245 L246	I162-V211 HydrophobicContact CB-CG2 4.31Å; I162-V211 CarbonylContact O-C 3.45Å; I162-V211 WeakPolarHBondContact O-CA 3.41Å; L164-V211 HydrophobicContact CD1-CG1 3.51Å; L164-V211 HydrophobicContact CG-CG1 3.98Å; L201-V211 HydrophobicContact CD2-CG2 4.14Å; V211-L233 HydrophobicContact CG1-CD1 4.39Å; V211-L237 HydrophobicContact CB-CD2 4.03Å; V211-L237 HydrophobicContact CG1-CD2 4.43Å; V211-L237 HydrophobicContact CG2-CD2 3.79Å; V211-V242 HydrophobicContact CB-CG1 4.46Å; V211-V242 HydrophobicContact CG2-CG1 3.91Å; V211-V242 HydrophobicContact CG2-CG2 4.13Å; V211-A244 PolarHBondContact N-O 3.49Å; V211-Y245 HydrophobicContact CB-CD2 3.97Å; V211-Y245 HydrophobicContact CG1-CD2 3.88Å; V211-Y245 HydrophobicContact CG1-CE2 4.03Å; V211-Y245 CarbonylContact O-C 3.54Å; V211-Y245 VanDerWaalsContact O-CA 3.23Å; V211-Y245 WeakPolarHBondContact O-CA 3.04Å; V211-Y245 WeakPolarHBondContact O-CD2 3.22Å; V211-L246 PolarHBondContact O-N 2.69Å
212	A	98.9	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.3	179.1	0	0	0	0	0	110.5	L79 I162 M163 L164 L246	L79-A212 HydrophobicContact CD2-CB 3.93Å; I162-A212 PolarHBondContact O-N 2.85Å; M163-A212 CarbonylContact C-O 3.58Å; M163-A212 HydrophobicContact CE-CB 4.02Å; M163-A212 HydrophobicContact SD-CB 3.75Å; L164-A212 WeakPolarHBondContact CB-O 3.19Å; L164-A212 PolarHBondContact N-O 3.27Å; A212-L246 VanDerWaalsContact CA-O 3.25Å; A212-L246 WeakPolarHBondContact CA-O 3.45Å; A212-L246 HydrophobicContact CB-CB 4.27Å
213	G	98.9	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.089	C	C	.	.			trans	-168.4	165.9	176.6	0	0	0	0	0	109.6	L246 C247	G213-L246 PolarHBondContact N-O 3.42Å; G213-C247 WeakPolarHBondContact O-CA 3.44Å; G213-C247 WeakPolarHBondContact O-CB 3.44Å
214	H	98.9	Very high	98.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-70.8	-51.4	-173.1	-179.9	64.7	0	0	0	112.8	D43 L79 D81 G118 N119 T166 C247 G248 H249	D43-H214 IonicContact OD1-CE1 3.74Å; D43-H214 PolarHBondContact OD1-CE1 2.85Å; L79-H214 WeakPolarHBondContact O-CA 3.48Å; L79-H214 WeakPolarHBondContact O-CB 3.42Å; L79-H214 PolarHBondContact O-ND1 3.46Å; D81-H214 IonicContact OD1-CE1 2.57Å; D81-H214 IonicContact OD1-NE2 3.77Å; D81-H214 IonicContact OD2-CE1 3.98Å; D81-H214 PolarHBondContact OD2-CE1 3.31Å; D81-H214 VanDerWaalsContact OD2-CE1 3.23Å; D81-H214 IonicContact OD2-NE2 3.07Å; D81-H214 PolarHBondContact OD2-NE2 3.38Å; G118-H214 WeakPolarHBondContact CA-CD2 3.02Å; N119-H214 PolarHBondContact OD1-CD2 3.19Å; N119-H214 PolarHBondContact OD1-NE2 2.93Å; T166-H214 PolarHBondContact OG1-N 3.41Å; H214-C247 WeakPolarHBondContact O-CB 3.44Å; H214-G248 CarbonylContact O-C 3.43Å; H214-G248 PolarHBondContact O-N 2.85Å; H214-H249 AromaticContact CD2-ND1 3.82Å; H214-H249 WeakPolarHBondContact NE2-CB 3.41Å; H214-H249 AromaticContact NE2-CG 3.62Å; H214-H249 AromaticContact NE2-ND1 3.13Å; H214-H249 PolarHBondContact NE2-ND1 3.13Å; H214-H249 VanDerWaalsContact NE2-ND1 3.13Å
215	Y	98.9	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-75	143.7	-175.5	-64.7	-35.4	0	0	0	114	N119 T166 V167 G171 S173 P181 T226 L229 Y245 H249	N119-Y215 HydrophobicContact CB-CE1 4.39Å; T166-Y215 WeakPolarHBondContact OG1-CD2 3.41Å; T166-Y215 PolarHBondContact OG1-N 3.06Å; V167-Y215 HydrophobicContact CG2-CE2 4Å; G171-Y215 WeakPolarHBondContact O-CE2 3.43Å; G171-Y215 PolarHBondContact O-OH 3.06Å; S173-Y215 WeakPolarHBondContact CB-OH 3.44Å; S173-Y215 PolarHBondContact N-OH 3Å; S173-Y215 PolarHBondContact OG-OH 3.12Å; P181-Y215 HydrophobicContact CB-CE2 3.91Å; P181-Y215 HydrophobicContact CG-CD2 4.07Å; P181-Y215 HydrophobicContact CG-CE2 3.81Å; Y215-T226 HydrophobicContact CD2-CG2 4.46Å; Y215-L229 VanDerWaalsContact O-CD1 3.27Å; Y215-L229 WeakPolarHBondContact O-CD1 3.35Å; Y215-Y245 WeakPolarHBondContact O-CE1 3.35Å; Y215-Y245 PolarHBondContact O-OH 2.9Å; Y215-H249 HydrophobicContact CD1-CB 4.16Å; Y215-H249 AromaticContact CD1-CD2 3.7Å; Y215-H249 AromaticContact CD1-CE1 3.97Å; Y215-H249 AromaticContact CD1-CG 3.66Å; Y215-H249 AromaticContact CD1-ND1 3.83Å; Y215-H249 AromaticContact CD1-NE2 3.84Å; Y215-H249 AromaticContact CE1-CE1 3.6Å; Y215-H249 AromaticContact CE1-ND1 3.71Å; Y215-H249 AromaticContact CE1-NE2 3.78Å
216	P	98.9	Very high	98.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.			trans	-73.9	138.1	176.3	28.9	-36.1	0	0	0	112.7	G224 T226 C247	P216-G224 WeakPolarHBondContact CG-O 3.48Å; P216-T226 WeakPolarHBondContact O-CB 3.43Å; P216-T226 PolarHBondContact O-N 3Å; P216-T226 VanDerWaalsContact O-N 3.1Å; P216-T226 PolarHBondContact O-OG1 3.49Å; P216-C247 VanDerWaalsContact CA-SG 3.52Å
217	V	98.9	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-68.8	-51.7	161.1	174.2	0	0	0	0	108.9	P225 L229 L230 L233 R234 L237 Y245 Y263	V217-P225 WeakPolarHBondContact O-CA 3.47Å; V217-P225 WeakPolarHBondContact O-CB 3.14Å; V217-L229 HydrophobicContact CG2-CB 4.05Å; V217-L229 HydrophobicContact CG2-CD1 4.35Å; V217-L230 HydrophobicContact CG1-CD2 3.82Å; V217-L230 WeakPolarHBondContact O-CD2 3.5Å; V217-L233 HydrophobicContact CG2-CD2 3.92Å; V217-L233 HydrophobicContact CG2-CG 4.39Å; V217-R234 HydrophobicContact CG1-CB 3.89Å; V217-R234 HydrophobicContact CG1-CG 4.33Å; V217-L237 HydrophobicContact CG2-CD1 4.16Å; V217-Y245 HydrophobicContact CB-CD1 4.21Å; V217-Y245 HydrophobicContact CB-CE1 4.33Å; V217-Y245 HydrophobicContact CG2-CD1 3.72Å; V217-Y245 HydrophobicContact CG2-CE1 3.7Å; V217-Y245 HydrophobicContact CG2-CG 4.18Å; V217-Y263 HydrophobicContact CB-CD1 3.88Å; V217-Y263 HydrophobicContact CB-CE1 3.65Å; V217-Y263 HydrophobicContact CG1-CD1 4.24Å; V217-Y263 HydrophobicContact CG1-CE1 3.58Å; V217-Y263 HydrophobicContact CG2-CE1 4.16Å
218	W	98.8	Very high	98.7	Very high	25 Å²	25	13.2 Å²	13.2	10%	0.095	6%	0.061	C	C	.	.	S	Bend	trans	-124.4	138.2	175.2	-64	125.3	0	0	0	109.8	P225 L230 L256 E258 Y263 H281 V282 P283	W218-P225 HydrophobicContact CE3-CB 3.74Å; W218-P225 HydrophobicContact CE3-CG 3.79Å; W218-P225 HydrophobicContact CZ3-CB 3.99Å; W218-P225 HydrophobicContact CZ3-CG 4.1Å; W218-L230 HydrophobicContact CD2-CD2 3.86Å; W218-L230 HydrophobicContact CE3-CD2 3.74Å; W218-L230 HydrophobicContact CH2-CD1 4.15Å; W218-L230 HydrophobicContact CH2-CD2 3.38Å; W218-L230 HydrophobicContact CH2-CG 4.42Å; W218-L230 HydrophobicContact CZ2-CD2 3.5Å; W218-L230 HydrophobicContact CZ3-CD1 3.88Å; W218-L230 HydrophobicContact CZ3-CD2 3.49Å; W218-L230 VanDerWaalsContact CZ3-CD2 3.49Å; W218-L230 HydrophobicContact CZ3-CG 4.33Å; W218-L256 HydrophobicContact CB-CD2 4.03Å; W218-E258 PolarHBondContact NE1-OE2 2.95Å; W218-Y263 AromaticContact CD1-CD1 3.9Å; W218-Y263 AromaticContact CD1-CD2 3.87Å; W218-Y263 AromaticContact CD1-CE1 3.69Å; W218-Y263 AromaticContact CD1-CE2 3.69Å; W218-Y263 AromaticContact CD1-CG 3.97Å; W218-Y263 AromaticContact CD1-CZ 3.55Å; W218-Y263 AromaticContact NE1-CZ 3.84Å; W218-H281 WeakPolarHBondContact CZ3-O 3.36Å; W218-V282 HydrophobicContact CB-CG1 4.32Å; W218-V282 HydrophobicContact CE3-CB 4.34Å; W218-V282 HydrophobicContact CE3-CG1 4.15Å; W218-P283 HydrophobicContact CD2-CG 4.37Å; W218-P283 HydrophobicContact CH2-CG 3.99Å; W218-P283 HydrophobicContact CZ2-CG 3.56Å
219	S	98.8	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.			trans	-160.3	149	169.9	165.2	0	0	0	0	108.1	S221 G224 P225 D250 Q254 V282	S219-S221 PolarHBondContact OG-N 3.42Å; S219-G224 WeakPolarHBondContact O-CA 3.1Å; S219-P225 VanDerWaalsContact O-CD 3.27Å; S219-P225 WeakPolarHBondContact O-CD 3.39Å; S219-D250 WeakPolarHBondContact CB-OD2 3.29Å; S219-D250 PolarHBondContact OG-OD2 3.09Å; S219-Q254 PolarHBondContact OG-NE2 3.17Å; S219-V282 VanDerWaalsContact O-CG1 3.29Å; S219-V282 WeakPolarHBondContact O-CG1 3.36Å
220	V	98.8	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-92.4	-2	174	-63.3	0	0	0	0	113.9	Q254 T276 H278 W279 V282 L287 F290	V220-Q254 VanDerWaalsContact N-OE1 3.14Å; V220-T276 HydrophobicContact CG2-CG2 4.25Å; V220-T276 CarbonylContact O-C 3.56Å; V220-T276 WeakPolarHBondContact O-CA 3.43Å; V220-H278 CarbonylContact O-C 3.55Å; V220-H278 VanDerWaalsContact O-C 3.31Å; V220-H278 VanDerWaalsContact O-CA 3.31Å; V220-H278 WeakPolarHBondContact O-CA 3.42Å; V220-H278 PolarHBondContact O-N 2.97Å; V220-W279 HydrophobicContact CB-CE3 4.22Å; V220-W279 HydrophobicContact CG1-CE3 4.29Å; V220-W279 HydrophobicContact CG2-CE3 4.2Å; V220-W279 PolarHBondContact O-N 3.32Å; V220-V282 HydrophobicContact CG1-CB 4.37Å; V220-V282 HydrophobicContact CG1-CG1 3.82Å; V220-V282 HydrophobicContact CG1-CG2 3.6Å; V220-L287 HydrophobicContact CG1-CD1 4.47Å; V220-L287 HydrophobicContact CG1-CD2 4Å; V220-L287 HydrophobicContact CG2-CD1 4.42Å; V220-L287 HydrophobicContact CG2-CD2 4.02Å; V220-F290 HydrophobicContact CG2-CD2 3.74Å; V220-F290 HydrophobicContact CG2-CE2 4.08Å; V220-F290 HydrophobicContact CG2-CG 4.5Å
221	S	98.4	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-97.5	-151.8	-159.1	-144.9	0	0	0	0	114.9	S219 H223 N252 D275 H278	S219-S221 PolarHBondContact OG-N 3.42Å; S221-H223 PolarHBondContact O-N 3.18Å; S221-N252 WeakPolarHBondContact CB-ND2 3.44Å; S221-N252 PolarHBondContact OG-ND2 2.95Å; S221-D275 VanDerWaalsContact CA-O 3.26Å; S221-D275 WeakPolarHBondContact CA-O 3.3Å; S221-D275 WeakPolarHBondContact CB-O 3.34Å; S221-D275 PolarHBondContact OG-O 3.11Å; S221-H278 PolarHBondContact O-ND1 2.89Å
222	E	97.7	Very high	98.7	Very high	19 Å²	19	26.6 Å²	26.6	9%	0.089	12%	0.121	C	C	.	.	S	Bend	trans	-61.8	-37.9	-168.4	68.3	-82.7	-157.2	0	0	114.2	D250 H251 N252 D275 H278	E222-D250 PolarHBondContact N-OD1 3.43Å; E222-D250 WeakPolarHBondContact OE1-CA 3.47Å; E222-H251 IonicContact OE1-CG 3.84Å; E222-H251 PolarHBondContact OE1-N 2.71Å; E222-H251 IonicContact OE1-ND1 2.92Å; E222-N252 PolarHBondContact OE2-ND2 3.09Å; E222-D275 HydrophobicContact CB-CB 4.15Å; E222-H278 PolarHBondContact O-CE1 3.13Å; E222-H278 VanDerWaalsContact O-CE1 3.26Å
223	H	98.3	Very high	98.7	Very high	33 Å²	33	26.6 Å²	26.6	15%	0.153	12%	0.121	C	C	.	.	S	Bend	trans	-94.5	-41.6	174.5	-60.6	-78.7	0	0	0	111.8	A179 Q180 S221 H249 D250 H278	A179-H223 PolarHBondContact O-ND1 3.07Å; Q180-H223 PolarHBondContact NE2-O 2.85Å; S221-H223 PolarHBondContact O-N 3.18Å; H223-H249 AromaticContact CD2-CD2 3.58Å; H223-H249 AromaticContact CD2-CE1 3.89Å; H223-H249 AromaticContact CD2-NE2 3.47Å; H223-H249 PolarHBondContact CD2-NE2 3.2Å; H223-H249 AromaticContact CE1-CE1 3.75Å; H223-H249 AromaticContact CE1-NE2 3.62Å; H223-H249 AromaticContact CG-CD2 3.52Å; H223-H249 AromaticContact CG-NE2 3.21Å; H223-H249 AromaticContact ND1-CE1 3.9Å; H223-H249 AromaticContact ND1-NE2 3.3Å; H223-H249 PolarHBondContact ND1-NE2 3.19Å; H223-H249 AromaticContact NE2-CE1 3.77Å; H223-H249 AromaticContact NE2-NE2 3.75Å; H223-D250 WeakPolarHBondContact CA-OD1 3.41Å; H223-D250 WeakPolarHBondContact CB-OD1 3.36Å; H223-D250 IonicContact CD2-OD1 3.72Å; H223-D250 PolarHBondContact CD2-OD1 2.89Å; H223-D250 VanDerWaalsContact CD2-OD1 3.27Å; H223-D250 IonicContact CG-OD1 2.62Å; H223-D250 PolarHBondContact N-OD1 2.86Å; H223-H278 PolarHBondContact O-CE1 3.33Å; H223-H278 VanDerWaalsContact O-CE1 3.27Å
224	G	98.5	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.133	C	C	.	.			trans	71.9	-156.3	175	0	0	0	0	0	114.4	P216 S219 T226 D250	P216-G224 WeakPolarHBondContact CG-O 3.48Å; S219-G224 WeakPolarHBondContact O-CA 3.1Å; G224-T226 PolarHBondContact O-N 3.02Å; G224-D250 PolarHBondContact N-OD2 2.81Å
225	P	98.7	Very high	98.6	Very high	12 Å²	12	32.7 Å²	32.7	8%	0.078	15%	0.152	C	C	.	.			trans	-69.2	127	-172.4	-20.6	34.1	0	0	0	113.6	V217 W218 S219 K227 L230 H281 V282	V217-P225 WeakPolarHBondContact O-CA 3.47Å; V217-P225 WeakPolarHBondContact O-CB 3.14Å; W218-P225 HydrophobicContact CE3-CB 3.74Å; W218-P225 HydrophobicContact CE3-CG 3.79Å; W218-P225 HydrophobicContact CZ3-CB 3.99Å; W218-P225 HydrophobicContact CZ3-CG 4.1Å; S219-P225 VanDerWaalsContact O-CD 3.27Å; S219-P225 WeakPolarHBondContact O-CD 3.39Å; P225-K227 PolarHBondContact O-N 3.35Å; P225-L230 HydrophobicContact CB-CD1 3.82Å; P225-L230 HydrophobicContact CB-CG 4.42Å; P225-H281 HydrophobicContact CG-CB 4Å; P225-V282 HydrophobicContact CG-CG1 4.17Å
226	T	98.8	Very high	98.6	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.025	16%	0.157	C	C	.	.			trans	-78.3	106.2	178.1	-56.1	0	0	0	0	111.2	P181 Y215 P216 G224 C228 L229 L230	P181-T226 HydrophobicContact CG-CG2 3.71Å; Y215-T226 HydrophobicContact CD2-CG2 4.46Å; P216-T226 WeakPolarHBondContact O-CB 3.43Å; P216-T226 PolarHBondContact O-N 3Å; P216-T226 VanDerWaalsContact O-N 3.1Å; P216-T226 PolarHBondContact O-OG1 3.49Å; G224-T226 PolarHBondContact O-N 3.02Å; T226-C228 VanDerWaalsContact C-N 3.25Å; T226-C228 HydrophobicContact CG2-CB 4.33Å; T226-C228 PolarHBondContact O-N 3.27Å; T226-C228 VanDerWaalsContact O-N 3.11Å; T226-L229 HydrophobicContact CG2-CB 4.39Å; T226-L229 HydrophobicContact CG2-CD1 4.32Å; T226-L229 HydrophobicContact CG2-CG 3.92Å; T226-L229 PolarHBondContact O-N 2.75Å; T226-L230 PolarHBondContact O-N 3.15Å
227	K	98.6	Very high	98.6	Very high	165 Å²	165	33.6 Å²	33.6	72%	0.717	16%	0.157	S	C	*	.	H	α-helix	trans	-50.5	-40.8	-177.3	-70.2	177.5	-178	168.1	0	114	P225 L230 K231	P225-K227 PolarHBondContact O-N 3.35Å; K227-L230 PolarHBondContact O-N 3.12Å; K227-K231 PolarHBondContact O-N 2.72Å
228	C	98.6	Very high	98.6	Very high	19 Å²	19	35.6 Å²	35.6	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-44.6	176.6	165.9	0	0	0	0	112.1	C170 T226 K231 K232	C170-C228 WeakPolarHBondContact CA-SG 3.47Å; C170-C228 HydrophobicContact CB-CB 3.49Å; C170-C228 VanDerWaalsContact CB-CB 3.49Å; C170-C228 WeakPolarHBondContact CB-SG 3.42Å; C170-C228 WeakPolarHBondContact SG-CB 3.49Å; C170-C228 CovalentContact SG-SG 2.04Å; C170-C228 PolarHBondContact SG-SG 3.01Å; T226-C228 VanDerWaalsContact C-N 3.25Å; T226-C228 HydrophobicContact CG2-CB 4.33Å; T226-C228 PolarHBondContact O-N 3.27Å; T226-C228 VanDerWaalsContact O-N 3.11Å; C228-K231 PolarHBondContact O-N 3.13Å; C228-K232 WeakPolarHBondContact O-CB 3.24Å; C228-K232 WeakPolarHBondContact O-CG 3.23Å; C228-K232 PolarHBondContact O-N 3.41Å
229	L	98.9	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.7	-35.8	179.5	-61.4	-173.9	0	0	0	112.2	T166 L169 C170 Y215 V217 T226 K231 K232 L233 R234	T166-L229 HydrophobicContact CG2-CD1 4.1Å; T166-L229 HydrophobicContact CG2-CD2 4.3Å; L169-L229 HydrophobicContact CD2-CD2 3.88Å; C170-L229 VanDerWaalsContact SG-CD2 3.53Å; Y215-L229 VanDerWaalsContact O-CD1 3.27Å; Y215-L229 WeakPolarHBondContact O-CD1 3.35Å; V217-L229 HydrophobicContact CG2-CB 4.05Å; V217-L229 HydrophobicContact CG2-CD1 4.35Å; T226-L229 HydrophobicContact CG2-CB 4.39Å; T226-L229 HydrophobicContact CG2-CD1 4.32Å; T226-L229 HydrophobicContact CG2-CG 3.92Å; T226-L229 PolarHBondContact O-N 2.75Å; L229-K231 PolarHBondContact O-N 2.8Å; L229-K232 PolarHBondContact O-N 3.04Å; L229-L233 HydrophobicContact CB-CB 4.23Å; L229-L233 HydrophobicContact CD1-CD2 4.49Å; L229-L233 HydrophobicContact CD2-CB 4.14Å; L229-L233 HydrophobicContact CD2-CD2 4.14Å; L229-L233 WeakPolarHBondContact O-CA 3.35Å; L229-L233 WeakPolarHBondContact O-CB 3.43Å; L229-L233 PolarHBondContact O-N 3.19Å; L229-R234 PolarHBondContact O-N 3.17Å
230	L	98.8	Very high	98.4	Very high	44 Å²	44	43.4 Å²	43.4	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-56.8	-36.2	170.9	-69.9	179.3	0	0	0	112.3	V217 W218 P225 T226 K227 P235	V217-L230 HydrophobicContact CG1-CD2 3.82Å; V217-L230 WeakPolarHBondContact O-CD2 3.5Å; W218-L230 HydrophobicContact CD2-CD2 3.86Å; W218-L230 HydrophobicContact CE3-CD2 3.74Å; W218-L230 HydrophobicContact CH2-CD1 4.15Å; W218-L230 HydrophobicContact CH2-CD2 3.38Å; W218-L230 HydrophobicContact CH2-CG 4.42Å; W218-L230 HydrophobicContact CZ2-CD2 3.5Å; W218-L230 HydrophobicContact CZ3-CD1 3.88Å; W218-L230 HydrophobicContact CZ3-CD2 3.49Å; W218-L230 VanDerWaalsContact CZ3-CD2 3.49Å; W218-L230 HydrophobicContact CZ3-CG 4.33Å; P225-L230 HydrophobicContact CB-CD1 3.82Å; P225-L230 HydrophobicContact CB-CG 4.42Å; T226-L230 PolarHBondContact O-N 3.15Å; K227-L230 PolarHBondContact O-N 3.12Å; L230-P235 WeakPolarHBondContact O-CD 3.42Å
231	K	98.6	Very high	98.3	Very high	173 Å²	173	47.5 Å²	47.5	75%	0.752	22%	0.224	S	C	*	.	H	α-helix	trans	-83	-42.4	179.6	-173	175.2	180	178.5	0	113.1	K227 C228 L229	K227-K231 PolarHBondContact O-N 2.72Å; C228-K231 PolarHBondContact O-N 3.13Å; L229-K231 PolarHBondContact O-N 2.8Å
232	K	98.4	Very high	98.3	Very high	64 Å²	64	47.6 Å²	47.6	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-100.3	-36.1	-168.7	-63.4	-178.1	-176.3	178.6	0	114.1	L169 L194 C228 L229 L236	L169-K232 HydrophobicContact CD1-CD 4.14Å; L169-K232 HydrophobicContact CG-CD 4.37Å; L169-K232 PolarHBondContact O-NZ 3.41Å; L194-K232 HydrophobicContact CD1-CB 4.31Å; L194-K232 HydrophobicContact CD2-CD 4.35Å; C228-K232 WeakPolarHBondContact O-CB 3.24Å; C228-K232 WeakPolarHBondContact O-CG 3.23Å; C228-K232 PolarHBondContact O-N 3.41Å; L229-K232 PolarHBondContact O-N 3.04Å; K232-L236 VanDerWaalsContact O-CD1 3.31Å; K232-L236 WeakPolarHBondContact O-CD1 3.31Å
233	L	98.8	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-51.9	-171.7	179.8	60.3	0	0	0	111.9	L164 L197 V211 V217 L229 P235 L236 L237 Y245	L164-L233 HydrophobicContact CD1-CD1 4.06Å; L164-L233 HydrophobicContact CD1-CD2 4.19Å; L197-L233 HydrophobicContact CD2-CD1 3.6Å; V211-L233 HydrophobicContact CG1-CD1 4.39Å; V217-L233 HydrophobicContact CG2-CD2 3.92Å; V217-L233 HydrophobicContact CG2-CG 4.39Å; L229-L233 HydrophobicContact CB-CB 4.23Å; L229-L233 HydrophobicContact CD1-CD2 4.49Å; L229-L233 HydrophobicContact CD2-CB 4.14Å; L229-L233 HydrophobicContact CD2-CD2 4.14Å; L229-L233 WeakPolarHBondContact O-CA 3.35Å; L229-L233 WeakPolarHBondContact O-CB 3.43Å; L229-L233 PolarHBondContact O-N 3.19Å; L233-P235 VanDerWaalsContact C-CD 3.49Å; L233-L236 WeakPolarHBondContact O-CA 3.32Å; L233-L236 VanDerWaalsContact O-CB 3.32Å; L233-L236 WeakPolarHBondContact O-CB 3.49Å; L233-L236 PolarHBondContact O-N 3.28Å; L233-L237 HydrophobicContact CD1-CD2 3.78Å; L233-L237 HydrophobicContact CD1-CG 4.1Å; L233-L237 HydrophobicContact CG-CD1 4.07Å; L233-L237 HydrophobicContact CG-CD2 4.09Å; L233-L237 HydrophobicContact CG-CG 3.96Å; L233-L237 PolarHBondContact O-N 2.98Å; L233-Y245 HydrophobicContact CD2-CD2 3.97Å; L233-Y245 HydrophobicContact CD2-CE2 3.51Å
234	R	98.7	Very high	98.4	Very high	67 Å²	67	45.5 Å²	45.5	25%	0.253	22%	0.216	S	C	.	.	H	α-helix	trans	-49.1	-47	-177	177.8	-178.2	168.2	-85.1	1.5	113.4	V217 L229 L236 L237 L238 E258	V217-R234 HydrophobicContact CG1-CB 3.89Å; V217-R234 HydrophobicContact CG1-CG 4.33Å; L229-R234 PolarHBondContact O-N 3.17Å; R234-L236 PolarHBondContact O-N 3.16Å; R234-L237 PolarHBondContact O-N 2.86Å; R234-L238 HydrophobicContact CG-CD1 4.36Å; R234-L238 WeakPolarHBondContact O-CG 3.14Å; R234-L238 PolarHBondContact O-N 3.39Å; R234-L238 VanDerWaalsContact O-N 3.12Å; R234-E258 IonicContact CZ-OE1 2.78Å; R234-E258 IonicContact CZ-OE2 3.34Å; R234-E258 IonicContact NE-OE1 3.54Å; R234-E258 PolarHBondContact NE-OE1 2.81Å; R234-E258 IonicContact NE-OE2 3.21Å; R234-E258 PolarHBondContact NE-OE2 2.93Å; R234-E258 VanDerWaalsContact NH2-CD 3.32Å; R234-E258 IonicContact NH2-OE1 2.78Å; R234-E258 PolarHBondContact NH2-OE1 3.25Å; R234-E258 IonicContact NH2-OE2 3.72Å; R234-E258 PolarHBondContact NH2-OE2 2.96Å
235	P	98.7	Very high	98.4	Very high	62 Å²	62	45.5 Å²	45.5	40%	0.403	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-31.5	178.4	-23.2	35.5	0	0	0	113.3	L230 L233 K239	L230-P235 WeakPolarHBondContact O-CD 3.42Å; L233-P235 VanDerWaalsContact C-CD 3.49Å; P235-K239 WeakPolarHBondContact O-CB 3.34Å; P235-K239 PolarHBondContact O-N 2.85Å
236	L	98.7	Very high	98.4	Very high	18 Å²	18	45 Å²	45	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-73.9	-40.1	176.8	-57.6	177.1	0	0	0	111.4	L194 L197 Q198 L201 K232 L233 R234 L238 K239 H240	L194-L236 HydrophobicContact CD1-CD1 4Å; L197-L236 HydrophobicContact CD2-CD1 4.04Å; L197-L236 HydrophobicContact CG-CD1 4.35Å; Q198-L236 HydrophobicContact CG-CD1 3.76Å; Q198-L236 HydrophobicContact CG-CD2 4.02Å; L201-L236 HydrophobicContact CD1-CB 3.65Å; L201-L236 HydrophobicContact CD1-CD1 4.39Å; K232-L236 VanDerWaalsContact O-CD1 3.31Å; K232-L236 WeakPolarHBondContact O-CD1 3.31Å; L233-L236 WeakPolarHBondContact O-CA 3.32Å; L233-L236 VanDerWaalsContact O-CB 3.32Å; L233-L236 WeakPolarHBondContact O-CB 3.49Å; L233-L236 PolarHBondContact O-N 3.28Å; R234-L236 PolarHBondContact O-N 3.16Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.08Å; L236-K239 PolarHBondContact O-N 3.4Å; L236-H240 WeakPolarHBondContact O-CB 3.48Å; L236-H240 PolarHBondContact O-CD2 3.16Å; L236-H240 VanDerWaalsContact O-CD2 3.29Å; L236-H240 PolarHBondContact O-N 3.24Å
237	L	98.6	Very high	98.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-48.9	175.6	-58.5	-178.5	0	0	0	110.8	V211 V217 L233 R234 N241 V242 Y245 Y263	V211-L237 HydrophobicContact CB-CD2 4.03Å; V211-L237 HydrophobicContact CG1-CD2 4.43Å; V211-L237 HydrophobicContact CG2-CD2 3.79Å; V217-L237 HydrophobicContact CG2-CD1 4.16Å; L233-L237 HydrophobicContact CD1-CD2 3.78Å; L233-L237 HydrophobicContact CD1-CG 4.1Å; L233-L237 HydrophobicContact CG-CD1 4.07Å; L233-L237 HydrophobicContact CG-CD2 4.09Å; L233-L237 HydrophobicContact CG-CG 3.96Å; L233-L237 PolarHBondContact O-N 2.98Å; R234-L237 PolarHBondContact O-N 2.86Å; L237-N241 PolarHBondContact O-N 2.89Å; L237-V242 HydrophobicContact CB-CB 4.24Å; L237-V242 HydrophobicContact CB-CG2 4.37Å; L237-V242 HydrophobicContact CD2-CB 4.06Å; L237-V242 HydrophobicContact CD2-CG1 4.03Å; L237-V242 HydrophobicContact CD2-CG2 3.85Å; L237-V242 PolarHBondContact O-N 3.3Å; L237-Y245 HydrophobicContact CD1-CD2 4.43Å; L237-Y245 HydrophobicContact CD1-CG 4.24Å; L237-Y263 HydrophobicContact CD1-CE1 3.97Å
238	L	97.8	Very high	98.4	Very high	43 Å²	43	37 Å²	37	23%	0.225	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-48.2	178.3	-61.5	-178.4	0	0	0	111.8	R234 L236 H240 N241 V261	R234-L238 HydrophobicContact CG-CD1 4.36Å; R234-L238 WeakPolarHBondContact O-CG 3.14Å; R234-L238 PolarHBondContact O-N 3.39Å; R234-L238 VanDerWaalsContact O-N 3.12Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.08Å; L238-H240 PolarHBondContact O-N 3.12Å; L238-N241 PolarHBondContact O-N 3.05Å; L238-N241 PolarHBondContact O-OD1 3.48Å; L238-V261 HydrophobicContact CD2-CG2 3.75Å
239	K	97.3	Very high	98.4	Very high	158 Å²	158	36.2 Å²	36.2	69%	0.687	17%	0.172	S	C	*	.	H	α-helix	trans	-59.1	-35.8	-178	178.6	180	177.2	-174.9	0	113	P235 L236	P235-K239 WeakPolarHBondContact O-CB 3.34Å; P235-K239 PolarHBondContact O-N 2.85Å; L236-K239 PolarHBondContact O-N 3.4Å
240	H	97.1	Very high	98.4	Very high	30 Å²	30	36.2 Å²	36.2	14%	0.139	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.2	-175.5	-67.6	-83	0	0	0	113.2	L201 L236 L238 V242 R330	L201-H240 HydrophobicContact CB-CB 4.2Å; L201-H240 PolarHBondContact O-ND1 2.8Å; L201-H240 VanDerWaalsContact O-ND1 3.16Å; L236-H240 WeakPolarHBondContact O-CB 3.48Å; L236-H240 PolarHBondContact O-CD2 3.16Å; L236-H240 VanDerWaalsContact O-CD2 3.29Å; L236-H240 PolarHBondContact O-N 3.24Å; L238-H240 PolarHBondContact O-N 3.12Å; H240-V242 VanDerWaalsContact C-N 3.3Å; H240-V242 PolarHBondContact O-N 2.9Å; H240-R330 PolarHBondContact O-NE 3.45Å; H240-R330 PolarHBondContact O-NH2 3.46Å
241	N	96.6	Very high	98.4	Very high	86 Å²	86	35.5 Å²	35.5	46%	0.46	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	51.1	-177.1	-61.6	-18.1	0	0	0	111.2	L237 L238 T243 R330	L237-N241 PolarHBondContact O-N 2.89Å; L238-N241 PolarHBondContact O-N 3.05Å; L238-N241 PolarHBondContact O-OD1 3.48Å; N241-T243 PolarHBondContact O-N 2.91Å; N241-R330 VanDerWaalsContact O-CD 3.23Å; N241-R330 WeakPolarHBondContact O-CD 2.94Å; N241-R330 WeakPolarHBondContact O-CG 2.94Å; N241-R330 PolarHBondContact O-NE 2.81Å; N241-R330 VanDerWaalsContact O-NE 3.09Å
242	V	98.3	Very high	98.4	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	13%	0.132	C	C	.	.			trans	-62.4	133.5	174.8	172.6	0	0	0	0	108.5	L201 L209 V211 L237 H240 A244 V261	L201-V242 HydrophobicContact CD2-CG2 3.83Å; L209-V242 HydrophobicContact CD2-CG2 3.99Å; L209-V242 HydrophobicContact CG-CG2 4.18Å; L209-V242 VanDerWaalsContact O-CG1 3.29Å; L209-V242 WeakPolarHBondContact O-CG1 3.27Å; V211-V242 HydrophobicContact CB-CG1 4.46Å; V211-V242 HydrophobicContact CG2-CG1 3.91Å; V211-V242 HydrophobicContact CG2-CG2 4.13Å; L237-V242 HydrophobicContact CB-CB 4.24Å; L237-V242 HydrophobicContact CB-CG2 4.37Å; L237-V242 HydrophobicContact CD2-CB 4.06Å; L237-V242 HydrophobicContact CD2-CG1 4.03Å; L237-V242 HydrophobicContact CD2-CG2 3.85Å; L237-V242 PolarHBondContact O-N 3.3Å; H240-V242 VanDerWaalsContact C-N 3.3Å; H240-V242 PolarHBondContact O-N 2.9Å; V242-A244 WeakPolarHBondContact CG1-O 3.36Å; V242-V261 WeakPolarHBondContact O-CG2 3.35Å
243	T	98.7	Very high	98.5	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.043	12%	0.119	C	C	.	.	S	Bend	trans	-66.4	-49.2	-178.1	-51.4	0	0	0	0	111.1	F208 L209 L210 N241 G262 L310 L327	F208-T243 HydrophobicContact CD1-CG2 4.16Å; L209-T243 PolarHBondContact N-OG1 3.2Å; L209-T243 WeakPolarHBondContact O-CB 3.5Å; L209-T243 PolarHBondContact O-N 2.88Å; L210-T243 HydrophobicContact CD2-CG2 4.44Å; N241-T243 PolarHBondContact O-N 2.91Å; T243-G262 PolarHBondContact O-N 3.27Å; T243-G262 VanDerWaalsContact O-N 3.11Å; T243-L310 HydrophobicContact CG2-CD2 3.98Å; T243-L327 HydrophobicContact CG2-CB 3.86Å; T243-L327 HydrophobicContact CG2-CD1 4.27Å
244	A	98.9	Very high	98.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	152.6	174.1	0	0	0	0	0	113.4	L210 V211 V242 G262 L327	L210-A244 WeakPolarHBondContact CA-O 3.36Å; L210-A244 HydrophobicContact CD2-CB 3.95Å; V211-A244 PolarHBondContact N-O 3.49Å; V242-A244 WeakPolarHBondContact CG1-O 3.36Å; A244-G262 CarbonylContact C-O 3.54Å; A244-G262 WeakPolarHBondContact CA-O 3.33Å; A244-G262 WeakPolarHBondContact CB-O 3.24Å; A244-L327 HydrophobicContact CB-CD1 3.92Å
245	Y	98.9	Very high	98.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.5	164	-179.7	-107.7	0	0	0	110.1	V211 Y215 V217 L233 L237 C247 G262 Y263 V264	V211-Y245 HydrophobicContact CB-CD2 3.97Å; V211-Y245 HydrophobicContact CG1-CD2 3.88Å; V211-Y245 HydrophobicContact CG1-CE2 4.03Å; V211-Y245 CarbonylContact O-C 3.54Å; V211-Y245 VanDerWaalsContact O-CA 3.23Å; V211-Y245 WeakPolarHBondContact O-CA 3.04Å; V211-Y245 WeakPolarHBondContact O-CD2 3.22Å; Y215-Y245 WeakPolarHBondContact O-CE1 3.35Å; Y215-Y245 PolarHBondContact O-OH 2.9Å; V217-Y245 HydrophobicContact CB-CD1 4.21Å; V217-Y245 HydrophobicContact CB-CE1 4.33Å; V217-Y245 HydrophobicContact CG2-CD1 3.72Å; V217-Y245 HydrophobicContact CG2-CE1 3.7Å; V217-Y245 HydrophobicContact CG2-CG 4.18Å; L233-Y245 HydrophobicContact CD2-CD2 3.97Å; L233-Y245 HydrophobicContact CD2-CE2 3.51Å; L237-Y245 HydrophobicContact CD1-CD2 4.43Å; L237-Y245 HydrophobicContact CD1-CG 4.24Å; Y245-C247 HydrophobicContact CD1-CB 4.3Å; Y245-C247 HydrophobicContact CE1-CB 3.57Å; Y245-G262 PolarHBondContact N-O 2.96Å; Y245-Y263 HydrophobicContact CD1-CD1 4.19Å; Y245-Y263 WeakPolarHBondContact O-CA 3.47Å; Y245-V264 PolarHBondContact O-N 3.2Å
246	L	98.9	Very high	98.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.6	-179.6	-53.4	97.1	0	0	0	110.6	V40 L79 L210 V211 A212 G213 V264	V40-L246 HydrophobicContact CB-CD2 4.43Å; V40-L246 HydrophobicContact CG1-CD2 3.95Å; V40-L246 HydrophobicContact CG2-CD2 3.74Å; L79-L246 HydrophobicContact CD1-CB 4.22Å; L79-L246 HydrophobicContact CD2-CB 4.45Å; L210-L246 HydrophobicContact CB-CD1 3.85Å; L210-L246 HydrophobicContact CD1-CD1 4.19Å; L210-L246 HydrophobicContact CD2-CD1 4.5Å; L210-L246 HydrophobicContact CG-CD1 4.4Å; V211-L246 PolarHBondContact O-N 2.69Å; A212-L246 VanDerWaalsContact CA-O 3.25Å; A212-L246 WeakPolarHBondContact CA-O 3.45Å; A212-L246 HydrophobicContact CB-CB 4.27Å; G213-L246 PolarHBondContact N-O 3.42Å; L246-V264 CarbonylContact C-O 3.53Å; L246-V264 WeakPolarHBondContact CA-O 3.46Å; L246-V264 HydrophobicContact CD2-CB 4.44Å; L246-V264 HydrophobicContact CD2-CG1 4.33Å; L246-V264 HydrophobicContact CG-CB 4.21Å
247	C	98.9	Very high	98.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	173.2	-179.4	63.7	0	0	0	0	114	L79 G213 H214 P216 Y245 V264 V265 S266	L79-C247 VanDerWaalsContact CD1-C 3.45Å; L79-C247 VanDerWaalsContact CD1-O 3.28Å; L79-C247 WeakPolarHBondContact CD1-O 3.08Å; G213-C247 WeakPolarHBondContact O-CA 3.44Å; G213-C247 WeakPolarHBondContact O-CB 3.44Å; H214-C247 WeakPolarHBondContact O-CB 3.44Å; P216-C247 VanDerWaalsContact CA-SG 3.52Å; Y245-C247 HydrophobicContact CD1-CB 4.3Å; Y245-C247 HydrophobicContact CE1-CB 3.57Å; C247-V264 PolarHBondContact N-O 3.23Å; C247-V265 CarbonylContact O-C 3.25Å; C247-V265 WeakPolarHBondContact O-CA 3.47Å; C247-S266 PolarHBondContact O-N 2.85Å
248	G	98.8	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.			trans	-124.5	-123.4	173.7	0	0	0	0	0	109.8	D43 H214 D250	D43-G248 WeakPolarHBondContact OD2-CA 3.3Å; H214-G248 CarbonylContact O-C 3.43Å; H214-G248 PolarHBondContact O-N 2.85Å; G248-D250 PolarHBondContact O-N 3.3Å
249	H	98.8	Very high	98.2	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	13%	0.13	C	C	.	.	S	Bend	trans	68.7	-54.2	176.1	-171.1	60.3	0	0	0	114.8	D43 N119 H214 Y215 H223	D43-H249 VanDerWaalsContact CG-N 3.33Å; D43-H249 VanDerWaalsContact OD1-CA 3.3Å; D43-H249 WeakPolarHBondContact OD1-CA 3.47Å; D43-H249 PolarHBondContact OD1-N 3.11Å; D43-H249 PolarHBondContact OD2-N 2.86Å; N119-H249 PolarHBondContact OD1-CE1 3.04Å; N119-H249 VanDerWaalsContact OD1-CE1 3.25Å; N119-H249 PolarHBondContact OD1-ND1 3.34Å; H214-H249 AromaticContact CD2-ND1 3.82Å; H214-H249 WeakPolarHBondContact NE2-CB 3.41Å; H214-H249 AromaticContact NE2-CG 3.62Å; H214-H249 AromaticContact NE2-ND1 3.13Å; H214-H249 PolarHBondContact NE2-ND1 3.13Å; H214-H249 VanDerWaalsContact NE2-ND1 3.13Å; Y215-H249 HydrophobicContact CD1-CB 4.16Å; Y215-H249 AromaticContact CD1-CD2 3.7Å; Y215-H249 AromaticContact CD1-CE1 3.97Å; Y215-H249 AromaticContact CD1-CG 3.66Å; Y215-H249 AromaticContact CD1-ND1 3.83Å; Y215-H249 AromaticContact CD1-NE2 3.84Å; Y215-H249 AromaticContact CE1-CE1 3.6Å; Y215-H249 AromaticContact CE1-ND1 3.71Å; Y215-H249 AromaticContact CE1-NE2 3.78Å; H223-H249 AromaticContact CD2-CD2 3.58Å; H223-H249 AromaticContact CD2-CE1 3.89Å; H223-H249 AromaticContact CD2-NE2 3.47Å; H223-H249 PolarHBondContact CD2-NE2 3.2Å; H223-H249 AromaticContact CE1-CE1 3.75Å; H223-H249 AromaticContact CE1-NE2 3.62Å; H223-H249 AromaticContact CG-CD2 3.52Å; H223-H249 AromaticContact CG-NE2 3.21Å; H223-H249 AromaticContact ND1-CE1 3.9Å; H223-H249 AromaticContact ND1-NE2 3.3Å; H223-H249 PolarHBondContact ND1-NE2 3.19Å; H223-H249 AromaticContact NE2-CE1 3.77Å; H223-H249 AromaticContact NE2-NE2 3.75Å
250	D	98.8	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-77.2	125	168.1	-78.9	-48.3	0	0	0	108.8	S219 E222 H223 G224 G248 N252 V265 G267	S219-D250 WeakPolarHBondContact CB-OD2 3.29Å; S219-D250 PolarHBondContact OG-OD2 3.09Å; E222-D250 PolarHBondContact N-OD1 3.43Å; E222-D250 WeakPolarHBondContact OE1-CA 3.47Å; H223-D250 WeakPolarHBondContact CA-OD1 3.41Å; H223-D250 WeakPolarHBondContact CB-OD1 3.36Å; H223-D250 IonicContact CD2-OD1 3.72Å; H223-D250 PolarHBondContact CD2-OD1 2.89Å; H223-D250 VanDerWaalsContact CD2-OD1 3.27Å; H223-D250 IonicContact CG-OD1 2.62Å; H223-D250 PolarHBondContact N-OD1 2.86Å; G224-D250 PolarHBondContact N-OD2 2.81Å; G248-D250 PolarHBondContact O-N 3.3Å; D250-N252 PolarHBondContact O-N 2.97Å; D250-V265 HydrophobicContact CB-CG1 4.4Å; D250-G267 WeakPolarHBondContact O-CA 3.23Å
251	H	98.8	Very high	98.1	Very high	30 Å²	30	19.4 Å²	19.4	14%	0.139	12%	0.117	C	C	.	.	S	Bend	trans	-78.4	57.9	-167.7	-65.4	140.8	0	0	0	112.8	D43 Y84 E222 G267 F271 L272 D273	D43-H251 IonicContact OD1-CD2 3.3Å; D43-H251 IonicContact OD1-NE2 3.96Å; Y84-H251 AromaticContact CZ-NE2 3.78Å; Y84-H251 PolarHBondContact OH-NE2 2.85Å; E222-H251 IonicContact OE1-CG 3.84Å; E222-H251 PolarHBondContact OE1-N 2.71Å; E222-H251 IonicContact OE1-ND1 2.92Å; H251-G267 VanDerWaalsContact CA-O 3.32Å; H251-G267 WeakPolarHBondContact CA-O 3.41Å; H251-F271 HydrophobicContact CB-CB 3.94Å; H251-F271 AromaticContact CE1-CD2 3.82Å; H251-F271 AromaticContact NE2-CD2 3.84Å; H251-L272 CarbonylContact O-C 3.45Å; H251-L272 WeakPolarHBondContact O-CA 3.5Å; H251-D273 HydrophobicContact CB-CB 4.19Å; H251-D273 PolarHBondContact O-N 3.48Å
252	N	98.8	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-160.7	-177.6	-176.6	45.3	79.7	0	0	0	110.9	S221 E222 D250 Q254 G267 D273 F290 T291	S221-N252 WeakPolarHBondContact CB-ND2 3.44Å; S221-N252 PolarHBondContact OG-ND2 2.95Å; E222-N252 PolarHBondContact OE2-ND2 3.09Å; D250-N252 PolarHBondContact O-N 2.97Å; N252-Q254 VanDerWaalsContact OD1-CG 3.23Å; N252-Q254 WeakPolarHBondContact OD1-CG 3.18Å; N252-Q254 PolarHBondContact OD1-NE2 3.14Å; N252-G267 PolarHBondContact O-N 2.88Å; N252-G267 VanDerWaalsContact O-N 3.07Å; N252-D273 WeakPolarHBondContact CB-O 2.93Å; N252-D273 PolarHBondContact ND2-O 3.42Å; N252-F290 HydrophobicContact CB-CE2 4.31Å; N252-T291 VanDerWaalsContact CB-O 3.23Å; N252-T291 WeakPolarHBondContact CB-O 3.46Å
253	L	98.9	Very high	98.2	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.3	175.3	-60	-177.8	0	0	0	110.2	V265 A268 F289 F290 T291 Y314	L253-V265 WeakPolarHBondContact CA-O 3.37Å; L253-A268 HydrophobicContact CD2-CB 3.83Å; L253-A268 HydrophobicContact CG-CB 3.95Å; L253-F289 HydrophobicContact CB-CE1 3.97Å; L253-F290 CarbonylContact O-C 3.53Å; L253-F290 WeakPolarHBondContact O-CA 3.5Å; L253-T291 HydrophobicContact CB-CG2 3.83Å; L253-T291 HydrophobicContact CD1-CG2 4.22Å; L253-T291 HydrophobicContact CG-CG2 4.35Å; L253-T291 PolarHBondContact N-O 2.99Å; L253-T291 PolarHBondContact O-N 3.2Å; L253-Y314 HydrophobicContact CB-CD1 3.96Å; L253-Y314 HydrophobicContact CB-CE1 4.47Å; L253-Y314 HydrophobicContact CD1-CD1 4.25Å; L253-Y314 HydrophobicContact CD2-CD1 4.46Å; L253-Y314 HydrophobicContact CG-CD1 4.46Å
254	Q	98.9	Very high	98.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.2	177.3	-40.2	-179.3	31.4	0	0	111.6	S219 V220 N252 L256 V265 L287 F289 F290 Y314	S219-Q254 PolarHBondContact OG-NE2 3.17Å; V220-Q254 VanDerWaalsContact N-OE1 3.14Å; N252-Q254 VanDerWaalsContact OD1-CG 3.23Å; N252-Q254 WeakPolarHBondContact OD1-CG 3.18Å; N252-Q254 PolarHBondContact OD1-NE2 3.14Å; Q254-L256 HydrophobicContact CB-CD1 3.96Å; Q254-V265 HydrophobicContact CB-CB 3.78Å; Q254-V265 HydrophobicContact CB-CG2 3.88Å; Q254-V265 HydrophobicContact CG-CB 3.89Å; Q254-V265 HydrophobicContact CG-CG1 4.3Å; Q254-V265 HydrophobicContact CG-CG2 4.12Å; Q254-V265 PolarHBondContact N-O 3.28Å; Q254-V265 PolarHBondContact O-N 2.75Å; Q254-L287 HydrophobicContact CB-CD1 4.35Å; Q254-F289 VanDerWaalsContact CA-O 3.28Å; Q254-F289 WeakPolarHBondContact CA-O 3.5Å; Q254-F290 HydrophobicContact CG-CD2 3.84Å; Q254-F290 HydrophobicContact CG-CE2 4.43Å; Q254-Y314 WeakPolarHBondContact O-CE1 3.47Å; Q254-Y314 PolarHBondContact O-OH 2.85Å; Q254-Y314 VanDerWaalsContact O-OH 3.07Å
255	Y	98.9	Very high	98.2	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.3	161	-175.6	-115.2	0	0	0	109.4	E257 Y263 V264 K288 F289 L312 Y314 F323 T325 L327	Y255-E257 HydrophobicContact CE1-CB 4.3Å; Y255-E257 PolarHBondContact OH-OE2 2.95Å; Y255-Y263 WeakPolarHBondContact CA-O 3.17Å; Y255-V264 HydrophobicContact CD2-CG2 4.23Å; Y255-V264 HydrophobicContact CE2-CG2 4.46Å; Y255-K288 HydrophobicContact CD1-CB 3.77Å; Y255-K288 HydrophobicContact CD1-CG 4.02Å; Y255-K288 HydrophobicContact CE1-CB 4.37Å; Y255-K288 HydrophobicContact CE1-CG 4.17Å; Y255-K288 PolarHBondContact O-N 3.28Å; Y255-F289 PolarHBondContact N-O 3.06Å; Y255-F289 PolarHBondContact O-N 3.02Å; Y255-F289 VanDerWaalsContact O-N 3.14Å; Y255-L312 HydrophobicContact CE2-CD1 4.28Å; Y255-Y314 WeakPolarHBondContact CB-OH 3.49Å; Y255-F323 AromaticContact CD1-CE1 3.61Å; Y255-F323 HydrophobicContact CD1-CE1 3.61Å; Y255-F323 AromaticContact CD1-CZ 3.89Å; Y255-F323 HydrophobicContact CD1-CZ 3.89Å; Y255-F323 AromaticContact CG-CE1 3.85Å; Y255-F323 HydrophobicContact CG-CE1 3.85Å; Y255-T325 HydrophobicContact CD1-CG2 3.85Å; Y255-T325 HydrophobicContact CD2-CG2 3.94Å; Y255-T325 HydrophobicContact CE1-CG2 3.7Å; Y255-T325 WeakPolarHBondContact CE1-OG1 3.18Å; Y255-T325 HydrophobicContact CE2-CG2 3.7Å; Y255-T325 HydrophobicContact CG-CG2 4.02Å; Y255-L327 WeakPolarHBondContact OH-CD2 3.3Å
256	L	98.8	Very high	98.2	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157.3	169.2	-48.8	89.7	0	0	0	109.8	W218 Q254 Y263 V265 V282 S286 L287	W218-L256 HydrophobicContact CB-CD2 4.03Å; Q254-L256 HydrophobicContact CB-CD1 3.96Å; L256-Y263 PolarHBondContact N-O 3.35Å; L256-Y263 PolarHBondContact O-N 2.65Å; L256-V265 HydrophobicContact CD1-CG2 4.45Å; L256-V282 HydrophobicContact CD2-CB 4.11Å; L256-V282 HydrophobicContact CD2-CG1 3.96Å; L256-V282 HydrophobicContact CD2-CG2 4.26Å; L256-S286 CarbonylContact C-O 3.54Å; L256-S286 VanDerWaalsContact CA-O 3.27Å; L256-S286 WeakPolarHBondContact CA-O 3.4Å; L256-L287 HydrophobicContact CD1-CD1 4.21Å; L256-L287 HydrophobicContact CD2-CB 4.19Å; L256-L287 HydrophobicContact CD2-CD1 4.07Å; L256-L287 HydrophobicContact CG-CB 4.35Å; L256-L287 HydrophobicContact CG-CD1 3.71Å
257	E	98.4	Very high	98.2	Very high	71 Å²	71	14.8 Å²	14.8	33%	0.332	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.8	176.1	-165.8	176	121.9	0	0	110.9	Y255 V261 S286	Y255-E257 HydrophobicContact CE1-CB 4.3Å; Y255-E257 PolarHBondContact OH-OE2 2.95Å; E257-V261 WeakPolarHBondContact CA-O 3.07Å; E257-S286 PolarHBondContact N-O 3.08Å; E257-S286 WeakPolarHBondContact O-CA 3.29Å; E257-S286 WeakPolarHBondContact O-CB 2.99Å
258	E	96.4	Very high	98.2	Very high	22 Å²	22	14.8 Å²	14.8	10%	0.103	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	120.3	177.6	-178.8	-173.5	-138.5	0	0	109.8	W218 R234 G260 V261 Y263 P283	W218-E258 PolarHBondContact NE1-OE2 2.95Å; R234-E258 IonicContact CZ-OE1 2.78Å; R234-E258 IonicContact CZ-OE2 3.34Å; R234-E258 IonicContact NE-OE1 3.54Å; R234-E258 PolarHBondContact NE-OE1 2.81Å; R234-E258 IonicContact NE-OE2 3.21Å; R234-E258 PolarHBondContact NE-OE2 2.93Å; R234-E258 VanDerWaalsContact NH2-CD 3.32Å; R234-E258 IonicContact NH2-OE1 2.78Å; R234-E258 PolarHBondContact NH2-OE1 3.25Å; R234-E258 IonicContact NH2-OE2 3.72Å; R234-E258 PolarHBondContact NH2-OE2 2.96Å; E258-G260 PolarHBondContact O-N 3.09Å; E258-G260 VanDerWaalsContact O-N 3.13Å; E258-V261 PolarHBondContact N-O 3.23Å; E258-V261 PolarHBondContact O-N 3.11Å; E258-Y263 HydrophobicContact CB-CE2 3.81Å; E258-Y263 PolarHBondContact OE2-OH 2.57Å; E258-P283 WeakPolarHBondContact OE1-CG 3.41Å
259	T	94.1	Very high	98.2	Very high	124 Å²	124	14.8 Å²	14.8	76%	0.761	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	40	175	-45.2	0	0	0	0	112.5	V261	T259-V261 VanDerWaalsContact C-N 3.3Å; T259-V261 PolarHBondContact O-N 3.08Å
260	G	93.9	Very high	98.2	Very high	50 Å²	50	14.7 Å²	14.7	52%	0.515	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-3.9	179.3	0	0	0	0	0	115.6	E258	E258-G260 PolarHBondContact O-N 3.09Å; E258-G260 VanDerWaalsContact O-N 3.13Å
261	V	98.3	Very high	98.2	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.1	172.5	-175.6	0	0	0	0	109.4	L238 V242 E257 E258 T259 Y263	L238-V261 HydrophobicContact CD2-CG2 3.75Å; V242-V261 WeakPolarHBondContact O-CG2 3.35Å; E257-V261 WeakPolarHBondContact CA-O 3.07Å; E258-V261 PolarHBondContact N-O 3.23Å; E258-V261 PolarHBondContact O-N 3.11Å; T259-V261 VanDerWaalsContact C-N 3.3Å; T259-V261 PolarHBondContact O-N 3.08Å; V261-Y263 HydrophobicContact CB-CE2 4.04Å; V261-Y263 HydrophobicContact CG1-CE2 3.98Å; V261-Y263 WeakPolarHBondContact O-CD2 3.01Å; V261-Y263 WeakPolarHBondContact O-CE2 3.21Å
262	G	98.8	Very high	98.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	139.2	170.3	0	0	0	0	0	112	T243 A244 Y245	T243-G262 PolarHBondContact O-N 3.27Å; T243-G262 VanDerWaalsContact O-N 3.11Å; A244-G262 CarbonylContact C-O 3.54Å; A244-G262 WeakPolarHBondContact CA-O 3.33Å; A244-G262 WeakPolarHBondContact CB-O 3.24Å; Y245-G262 PolarHBondContact N-O 2.96Å
263	Y	98.9	Very high	98.1	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.4	171.8	-61.4	-95.2	0	0	0	108	V217 W218 L237 Y245 Y255 L256 E258 V261	V217-Y263 HydrophobicContact CB-CD1 3.88Å; V217-Y263 HydrophobicContact CB-CE1 3.65Å; V217-Y263 HydrophobicContact CG1-CD1 4.24Å; V217-Y263 HydrophobicContact CG1-CE1 3.58Å; V217-Y263 HydrophobicContact CG2-CE1 4.16Å; W218-Y263 AromaticContact CD1-CD1 3.9Å; W218-Y263 AromaticContact CD1-CD2 3.87Å; W218-Y263 AromaticContact CD1-CE1 3.69Å; W218-Y263 AromaticContact CD1-CE2 3.69Å; W218-Y263 AromaticContact CD1-CG 3.97Å; W218-Y263 AromaticContact CD1-CZ 3.55Å; W218-Y263 AromaticContact NE1-CZ 3.84Å; L237-Y263 HydrophobicContact CD1-CE1 3.97Å; Y245-Y263 HydrophobicContact CD1-CD1 4.19Å; Y245-Y263 WeakPolarHBondContact O-CA 3.47Å; Y255-Y263 WeakPolarHBondContact CA-O 3.17Å; L256-Y263 PolarHBondContact N-O 3.35Å; L256-Y263 PolarHBondContact O-N 2.65Å; E258-Y263 HydrophobicContact CB-CE2 3.81Å; E258-Y263 PolarHBondContact OE2-OH 2.57Å; V261-Y263 HydrophobicContact CB-CE2 4.04Å; V261-Y263 HydrophobicContact CG1-CE2 3.98Å; V261-Y263 WeakPolarHBondContact O-CD2 3.01Å; V261-Y263 WeakPolarHBondContact O-CE2 3.21Å
264	V	98.9	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110	-173.7	176.1	0	0	0	0	108.1	Y245 L246 C247 Y255 V301 L312 Y314	Y245-V264 PolarHBondContact O-N 3.2Å; L246-V264 CarbonylContact C-O 3.53Å; L246-V264 WeakPolarHBondContact CA-O 3.46Å; L246-V264 HydrophobicContact CD2-CB 4.44Å; L246-V264 HydrophobicContact CD2-CG1 4.33Å; L246-V264 HydrophobicContact CG-CB 4.21Å; C247-V264 PolarHBondContact N-O 3.23Å; Y255-V264 HydrophobicContact CD2-CG2 4.23Å; Y255-V264 HydrophobicContact CE2-CG2 4.46Å; V264-V301 HydrophobicContact CG1-CG2 4.04Å; V264-L312 HydrophobicContact CG2-CD1 3.57Å; V264-Y314 HydrophobicContact CG1-CE1 4.42Å; V264-Y314 WeakPolarHBondContact CG1-OH 3.47Å
265	V	98.9	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.9	170.8	-174.3	0	0	0	0	107.8	C247 D250 L253 Q254 L256	C247-V265 CarbonylContact O-C 3.25Å; C247-V265 WeakPolarHBondContact O-CA 3.47Å; D250-V265 HydrophobicContact CB-CG1 4.4Å; L253-V265 WeakPolarHBondContact CA-O 3.37Å; Q254-V265 HydrophobicContact CB-CB 3.78Å; Q254-V265 HydrophobicContact CB-CG2 3.88Å; Q254-V265 HydrophobicContact CG-CB 3.89Å; Q254-V265 HydrophobicContact CG-CG1 4.3Å; Q254-V265 HydrophobicContact CG-CG2 4.12Å; Q254-V265 PolarHBondContact N-O 3.28Å; Q254-V265 PolarHBondContact O-N 2.75Å; L256-V265 HydrophobicContact CD1-CG2 4.45Å
266	S	98.9	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	53.1	-178.6	-173.2	0	0	0	0	111.5	V40 G42 C247	V40-S266 PolarHBondContact O-OG 3.35Å; G42-S266 WeakPolarHBondContact CA-O 3.39Å; G42-S266 PolarHBondContact N-O 2.97Å; C247-S266 PolarHBondContact O-N 2.85Å
267	G	98.8	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.			trans	-95.2	20.4	-177.3	0	0	0	0	0	115	D43 D250 H251 N252 G269	D43-G267 WeakPolarHBondContact CB-O 3.32Å; D43-G267 WeakPolarHBondContact OD2-CA 3.32Å; D250-G267 WeakPolarHBondContact O-CA 3.23Å; H251-G267 VanDerWaalsContact CA-O 3.32Å; H251-G267 WeakPolarHBondContact CA-O 3.41Å; N252-G267 PolarHBondContact O-N 2.88Å; N252-G267 VanDerWaalsContact O-N 3.07Å; G267-G269 VanDerWaalsContact C-N 3.34Å; G267-G269 PolarHBondContact O-N 3.21Å
268	A	98.7	Very high	98	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	19%	0.193	C	C	.	.			trans	-95.5	28.5	-176	0	0	0	0	0	113.5	L253 G298 G299	L253-A268 HydrophobicContact CD2-CB 3.83Å; L253-A268 HydrophobicContact CG-CB 3.95Å; A268-G298 CarbonylContact O-C 3.31Å; A268-G298 WeakPolarHBondContact O-CA 3.47Å; A268-G299 CarbonylContact C-O 3.57Å; A268-G299 PolarHBondContact O-N 3.43Å
269	G	98.7	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-73.3	-24.6	-175.3	0	0	0	0	0	114.7	G42 D43 Q57 G267	G42-G269 WeakPolarHBondContact O-CA 3.33Å; G42-G269 PolarHBondContact O-N 3.45Å; D43-G269 CarbonylContact O-C 3.58Å; Q57-G269 VanDerWaalsContact CA-O 3.27Å; Q57-G269 WeakPolarHBondContact CA-O 3.37Å; G267-G269 VanDerWaalsContact C-N 3.34Å; G267-G269 PolarHBondContact O-N 3.21Å
270	N	98.6	Very high	98.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-144.4	-39.9	-174.6	-173.9	76.7	0	0	0	112.8	D43 G46 T54 E56 Y84	D43-N270 WeakPolarHBondContact O-CB 3.31Å; D43-N270 PolarHBondContact O-N 3.39Å; G46-N270 VanDerWaalsContact CA-OD1 3.23Å; G46-N270 WeakPolarHBondContact CA-OD1 3.11Å; G46-N270 PolarHBondContact N-OD1 3.36Å; G46-N270 PolarHBondContact O-ND2 3.09Å; T54-N270 WeakPolarHBondContact CB-OD1 3.02Å; T54-N270 WeakPolarHBondContact CG2-OD1 3.3Å; T54-N270 PolarHBondContact OG1-OD1 3.08Å; E56-N270 WeakPolarHBondContact CB-O 3.32Å; Y84-N270 HydrophobicContact CE2-CB 4.31Å
271	F	98.3	Very high	98.4	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.237	21%	0.212	C	C	.	.			trans	-114.9	159.8	179.2	-62.2	-55.5	0	0	0	111.6	L47 Y84 F85 H251	L47-F271 HydrophobicContact CD2-CE1 4.38Å; L47-F271 HydrophobicContact CD2-CZ 3.92Å; Y84-F271 HydrophobicContact CD1-CE2 4.09Å; Y84-F271 HydrophobicContact CD2-CD2 4.41Å; Y84-F271 AromaticContact CD2-CE2 3.76Å; Y84-F271 HydrophobicContact CD2-CE2 3.76Å; Y84-F271 HydrophobicContact CE1-CD2 4.36Å; Y84-F271 HydrophobicContact CE1-CE2 4.06Å; Y84-F271 AromaticContact CE2-CD2 3.96Å; Y84-F271 HydrophobicContact CE2-CD2 3.96Å; Y84-F271 AromaticContact CE2-CE2 3.77Å; Y84-F271 HydrophobicContact CE2-CE2 3.77Å; Y84-F271 AromaticContact CG-CE2 3.95Å; Y84-F271 HydrophobicContact CG-CE2 3.95Å; Y84-F271 AromaticContact CZ-CD2 3.95Å; Y84-F271 AromaticContact CZ-CE2 3.94Å; F85-F271 HydrophobicContact CE1-CE2 4.04Å; F85-F271 HydrophobicContact CE1-CZ 4.18Å; F85-F271 HydrophobicContact CZ-CE2 4.21Å; F85-F271 AromaticContact CZ-CZ 3.87Å; F85-F271 HydrophobicContact CZ-CZ 3.87Å; H251-F271 HydrophobicContact CB-CB 3.94Å; H251-F271 AromaticContact CE1-CD2 3.82Å; H251-F271 AromaticContact NE2-CD2 3.84Å
272	L	98.3	Very high	98.5	Very high	42 Å²	42	45.7 Å²	45.7	22%	0.22	22%	0.217	C	C	.	.			trans	-135.1	125.1	176.5	-63.5	107.4	0	0	0	110	E56 H251 K293 T296	E56-L272 HydrophobicContact CB-CD1 4.4Å; E56-L272 HydrophobicContact CG-CD1 3.59Å; H251-L272 CarbonylContact O-C 3.45Å; H251-L272 WeakPolarHBondContact O-CA 3.5Å; L272-K293 WeakPolarHBondContact CD2-O 3.19Å; L272-T296 WeakPolarHBondContact CD2-OG1 3.27Å
273	D	98.1	Very high	98.4	Very high	50 Å²	50	47.4 Å²	47.4	27%	0.267	23%	0.229	S	C	.	.			trans	-130.1	123.8	175	-161.4	-30.2	0	0	0	109.7	H251 N252 D275 G292	H251-D273 HydrophobicContact CB-CB 4.19Å; H251-D273 PolarHBondContact O-N 3.48Å; N252-D273 WeakPolarHBondContact CB-O 2.93Å; N252-D273 PolarHBondContact ND2-O 3.42Å; D273-D275 WeakPolarHBondContact OD1-CB 3.37Å; D273-D275 PolarHBondContact OD1-N 3.49Å; D273-G292 VanDerWaalsContact O-CA 3.24Å; D273-G292 WeakPolarHBondContact O-CA 3.33Å
274	D	98	Very high	98.3	Very high	110 Å²	110	56 Å²	56	59%	0.588	27%	0.266	S	S	*	.			trans	-94.2	8.2	178.9	71.9	-15.9	0	0	0	113.8
275	D	98.1	Very high	98.2	Very high	36 Å²	36	61.7 Å²	61.7	19%	0.193	30%	0.297	C	S	.	.			trans	-57.6	138.3	175.7	-161.7	-49	0	0	0	111.2	S221 E222 D273 R277	S221-D275 VanDerWaalsContact CA-O 3.26Å; S221-D275 WeakPolarHBondContact CA-O 3.3Å; S221-D275 WeakPolarHBondContact CB-O 3.34Å; S221-D275 PolarHBondContact OG-O 3.11Å; E222-D275 HydrophobicContact CB-CB 4.15Å; D273-D275 WeakPolarHBondContact OD1-CB 3.37Å; D273-D275 PolarHBondContact OD1-N 3.49Å; D275-R277 VanDerWaalsContact CG-NE 3.25Å; D275-R277 WeakPolarHBondContact OD1-CA 3.46Å; D275-R277 WeakPolarHBondContact OD1-CB 3.33Å; D275-R277 WeakPolarHBondContact OD1-CG 3.26Å; D275-R277 PolarHBondContact OD1-N 2.81Å; D275-R277 IonicContact OD1-NE 2.83Å; D275-R277 PolarHBondContact OD1-NE 2.97Å; D275-R277 IonicContact OD2-CZ 2.74Å; D275-R277 IonicContact OD2-NE 2.75Å; D275-R277 PolarHBondContact OD2-NE 3.02Å; D275-R277 IonicContact OD2-NH2 3.14Å; D275-R277 PolarHBondContact OD2-NH2 2.89Å
276	T	98.3	Very high	98.1	Very high	55 Å²	55	61.9 Å²	61.9	34%	0.337	30%	0.298	S	S	.	.			trans	-132.8	27.3	177.7	49.5	0	0	0	0	111.9	V220 H278 W279 F290	V220-T276 HydrophobicContact CG2-CG2 4.25Å; V220-T276 CarbonylContact O-C 3.56Å; V220-T276 WeakPolarHBondContact O-CA 3.43Å; T276-H278 PolarHBondContact O-N 2.9Å; T276-W279 HydrophobicContact CG2-CE3 4.28Å; T276-W279 WeakPolarHBondContact O-CB 3.37Å; T276-W279 PolarHBondContact O-N 2.63Å; T276-F290 HydrophobicContact CG2-CD1 4.19Å; T276-F290 HydrophobicContact CG2-CD2 4.43Å; T276-F290 HydrophobicContact CG2-CE1 3.63Å; T276-F290 HydrophobicContact CG2-CE2 3.94Å; T276-F290 HydrophobicContact CG2-CZ 3.5Å
277	R	98.2	Very high	98.1	Very high	159 Å²	159	63.4 Å²	63.4	60%	0.6	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.1	-176.1	68.7	-179.1	68.7	159.2	-3.8	113	D275	D275-R277 VanDerWaalsContact CG-NE 3.25Å; D275-R277 WeakPolarHBondContact OD1-CA 3.46Å; D275-R277 WeakPolarHBondContact OD1-CB 3.33Å; D275-R277 WeakPolarHBondContact OD1-CG 3.26Å; D275-R277 PolarHBondContact OD1-N 2.81Å; D275-R277 IonicContact OD1-NE 2.83Å; D275-R277 PolarHBondContact OD1-NE 2.97Å; D275-R277 IonicContact OD2-CZ 2.74Å; D275-R277 IonicContact OD2-NE 2.75Å; D275-R277 PolarHBondContact OD2-NE 3.02Å; D275-R277 IonicContact OD2-NH2 3.14Å; D275-R277 PolarHBondContact OD2-NH2 2.89Å
278	H	98.5	Very high	98.1	Very high	39 Å²	39	68.7 Å²	68.7	18%	0.181	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	15.3	175.9	-62.8	96.5	0	0	0	114	V220 S221 E222 H223 T276 N280 H281	V220-H278 CarbonylContact O-C 3.55Å; V220-H278 VanDerWaalsContact O-C 3.31Å; V220-H278 VanDerWaalsContact O-CA 3.31Å; V220-H278 WeakPolarHBondContact O-CA 3.42Å; V220-H278 PolarHBondContact O-N 2.97Å; S221-H278 PolarHBondContact O-ND1 2.89Å; E222-H278 PolarHBondContact O-CE1 3.13Å; E222-H278 VanDerWaalsContact O-CE1 3.26Å; H223-H278 PolarHBondContact O-CE1 3.33Å; H223-H278 VanDerWaalsContact O-CE1 3.27Å; T276-H278 PolarHBondContact O-N 2.9Å; H278-N280 PolarHBondContact O-N 3.2Å; H278-N280 VanDerWaalsContact O-N 3.16Å; H278-H281 WeakPolarHBondContact CA-ND1 3.32Å; H278-H281 HydrophobicContact CB-CB 4.26Å; H278-H281 AromaticContact CD2-CE1 3.81Å; H278-H281 AromaticContact CD2-ND1 3.14Å; H278-H281 PolarHBondContact CD2-ND1 2.82Å; H278-H281 AromaticContact CG-ND1 3.65Å; H278-H281 WeakPolarHBondContact O-CB 3.49Å; H278-H281 PolarHBondContact O-N 2.86Å
279	W	97.9	Very high	98.1	Very high	133 Å²	133	70 Å²	70	50%	0.504	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-50.3	-41.4	177.1	-173.2	-84.1	0	0	0	114	V220 T276 H281 V282 L287	V220-W279 HydrophobicContact CB-CE3 4.22Å; V220-W279 HydrophobicContact CG1-CE3 4.29Å; V220-W279 HydrophobicContact CG2-CE3 4.2Å; V220-W279 PolarHBondContact O-N 3.32Å; T276-W279 HydrophobicContact CG2-CE3 4.28Å; T276-W279 WeakPolarHBondContact O-CB 3.37Å; T276-W279 PolarHBondContact O-N 2.63Å; W279-H281 VanDerWaalsContact C-N 3.28Å; W279-H281 PolarHBondContact O-N 2.85Å; W279-V282 WeakPolarHBondContact O-CG2 3.24Å; W279-L287 HydrophobicContact CE3-CD2 3.83Å; W279-L287 HydrophobicContact CH2-CD2 3.4Å; W279-L287 VanDerWaalsContact CH2-CD2 3.4Å; W279-L287 HydrophobicContact CZ2-CD2 4.21Å; W279-L287 HydrophobicContact CZ3-CD2 3.17Å
280	N	97.9	Very high	98.1	Very high	145 Å²	145	72.5 Å²	72.5	78%	0.775	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-87.2	7.2	-179.1	-63.8	-45.6	0	0	0	113.7	H278	H278-N280 PolarHBondContact O-N 3.2Å; H278-N280 VanDerWaalsContact O-N 3.16Å
281	H	98.2	Very high	98.1	Very high	112 Å²	112	73.1 Å²	73.1	52%	0.519	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-104.2	-1	179.2	-58	129.1	0	0	0	113.5	W218 P225 H278 W279	W218-H281 WeakPolarHBondContact CZ3-O 3.36Å; P225-H281 HydrophobicContact CG-CB 4Å; H278-H281 WeakPolarHBondContact CA-ND1 3.32Å; H278-H281 HydrophobicContact CB-CB 4.26Å; H278-H281 AromaticContact CD2-CE1 3.81Å; H278-H281 AromaticContact CD2-ND1 3.14Å; H278-H281 PolarHBondContact CD2-ND1 2.82Å; H278-H281 AromaticContact CG-ND1 3.65Å; H278-H281 WeakPolarHBondContact O-CB 3.49Å; H278-H281 PolarHBondContact O-N 2.86Å; W279-H281 VanDerWaalsContact C-N 3.28Å; W279-H281 PolarHBondContact O-N 2.85Å
282	V	98.4	Very high	98	Very high	21 Å²	21	70.6 Å²	70.6	13%	0.127	34%	0.339	C	S	.	.	S	Bend	trans	-100.8	159.7	172	-57.3	0	0	0	0	110.8	W218 S219 V220 P225 L256 W279 K284	W218-V282 HydrophobicContact CB-CG1 4.32Å; W218-V282 HydrophobicContact CE3-CB 4.34Å; W218-V282 HydrophobicContact CE3-CG1 4.15Å; S219-V282 VanDerWaalsContact O-CG1 3.29Å; S219-V282 WeakPolarHBondContact O-CG1 3.36Å; V220-V282 HydrophobicContact CG1-CB 4.37Å; V220-V282 HydrophobicContact CG1-CG1 3.82Å; V220-V282 HydrophobicContact CG1-CG2 3.6Å; P225-V282 HydrophobicContact CG-CG1 4.17Å; L256-V282 HydrophobicContact CD2-CB 4.11Å; L256-V282 HydrophobicContact CD2-CG1 3.96Å; L256-V282 HydrophobicContact CD2-CG2 4.26Å; W279-V282 WeakPolarHBondContact O-CG2 3.24Å; V282-K284 PolarHBondContact O-N 3.42Å
283	P	97.8	Very high	97.9	Very high	36 Å²	36	74.9 Å²	74.9	23%	0.234	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-56.9	140.5	175.4	-22.6	32.8	0	0	0	111.3	W218 E258 D285 S286	W218-P283 HydrophobicContact CD2-CG 4.37Å; W218-P283 HydrophobicContact CH2-CG 3.99Å; W218-P283 HydrophobicContact CZ2-CG 3.56Å; E258-P283 WeakPolarHBondContact OE1-CG 3.41Å; P283-D285 PolarHBondContact O-N 3.45Å; P283-S286 VanDerWaalsContact O-CB 3.26Å; P283-S286 WeakPolarHBondContact O-CB 3.3Å; P283-S286 PolarHBondContact O-N 3.46Å; P283-S286 VanDerWaalsContact O-N 3.16Å; P283-S286 PolarHBondContact O-OG 3.01Å
284	K	96.9	Very high	97.8	Very high	182 Å²	182	76.6 Å²	76.6	79%	0.791	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	139.1	178.9	-167.8	-174.9	171	-177.7	0	110.5	V282 S286	V282-K284 PolarHBondContact O-N 3.42Å; K284-S286 PolarHBondContact O-N 3.28Å
285	D	96.1	Very high	97.6	Very high	120 Å²	120	75 Å²	75	64%	0.642	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	9.8	178.7	-50.4	-44.4	0	0	0	114.9	P283 K288	P283-D285 PolarHBondContact O-N 3.45Å; D285-K288 WeakPolarHBondContact O-CE 3.5Å; D285-K288 PolarHBondContact O-NZ 3.37Å
286	S	98.2	Very high	97.5	Very high	4 Å²	4	73.6 Å²	73.6	3%	0.028	36%	0.362	C	S	.	.			trans	-76.8	-38.2	179.1	63.5	0	0	0	0	113.3	L256 E257 P283 K284 K288	L256-S286 CarbonylContact C-O 3.54Å; L256-S286 VanDerWaalsContact CA-O 3.27Å; L256-S286 WeakPolarHBondContact CA-O 3.4Å; E257-S286 PolarHBondContact N-O 3.08Å; E257-S286 WeakPolarHBondContact O-CA 3.29Å; E257-S286 WeakPolarHBondContact O-CB 2.99Å; P283-S286 VanDerWaalsContact O-CB 3.26Å; P283-S286 WeakPolarHBondContact O-CB 3.3Å; P283-S286 PolarHBondContact O-N 3.46Å; P283-S286 VanDerWaalsContact O-N 3.16Å; P283-S286 PolarHBondContact O-OG 3.01Å; K284-S286 PolarHBondContact O-N 3.28Å; S286-K288 WeakPolarHBondContact O-CG 3.44Å; S286-K288 PolarHBondContact O-N 3.1Å
287	L	98.6	Very high	97.5	Very high	32 Å²	32	74.9 Å²	74.9	17%	0.168	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123.3	177.7	-176.9	72.3	0	0	0	110.5	V220 Q254 L256 W279 F289 F290	V220-L287 HydrophobicContact CG1-CD1 4.47Å; V220-L287 HydrophobicContact CG1-CD2 4Å; V220-L287 HydrophobicContact CG2-CD1 4.42Å; V220-L287 HydrophobicContact CG2-CD2 4.02Å; Q254-L287 HydrophobicContact CB-CD1 4.35Å; L256-L287 HydrophobicContact CD1-CD1 4.21Å; L256-L287 HydrophobicContact CD2-CB 4.19Å; L256-L287 HydrophobicContact CD2-CD1 4.07Å; L256-L287 HydrophobicContact CG-CB 4.35Å; L256-L287 HydrophobicContact CG-CD1 3.71Å; W279-L287 HydrophobicContact CE3-CD2 3.83Å; W279-L287 HydrophobicContact CH2-CD2 3.4Å; W279-L287 VanDerWaalsContact CH2-CD2 3.4Å; W279-L287 HydrophobicContact CZ2-CD2 4.21Å; W279-L287 HydrophobicContact CZ3-CD2 3.17Å; L287-F289 VanDerWaalsContact CD1-O 3.26Å; L287-F289 WeakPolarHBondContact CD1-O 3.23Å; L287-F290 HydrophobicContact CD1-CB 4.33Å; L287-F290 HydrophobicContact CD2-CB 4.17Å
288	K	98.6	Very high	97.4	Very high	110 Å²	110	67.3 Å²	67.3	48%	0.478	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-26.6	-179.4	-53.8	-52.4	-176.7	-176	0	112.8	Y255 D285 S286 F323	Y255-K288 HydrophobicContact CD1-CB 3.77Å; Y255-K288 HydrophobicContact CD1-CG 4.02Å; Y255-K288 HydrophobicContact CE1-CB 4.37Å; Y255-K288 HydrophobicContact CE1-CG 4.17Å; Y255-K288 PolarHBondContact O-N 3.28Å; D285-K288 WeakPolarHBondContact O-CE 3.5Å; D285-K288 PolarHBondContact O-NZ 3.37Å; S286-K288 WeakPolarHBondContact O-CG 3.44Å; S286-K288 PolarHBondContact O-N 3.1Å; K288-F323 HydrophobicContact CB-CZ 4.29Å
289	F	98.7	Very high	97.4	Very high	28 Å²	28	65.4 Å²	65.4	12%	0.123	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	141	178.7	172.4	-110.9	0	0	0	110.6	L253 Q254 Y255 L287 T291 Y314 L322 F323	L253-F289 HydrophobicContact CB-CE1 3.97Å; Q254-F289 VanDerWaalsContact CA-O 3.28Å; Q254-F289 WeakPolarHBondContact CA-O 3.5Å; Y255-F289 PolarHBondContact N-O 3.06Å; Y255-F289 PolarHBondContact O-N 3.02Å; Y255-F289 VanDerWaalsContact O-N 3.14Å; L287-F289 VanDerWaalsContact CD1-O 3.26Å; L287-F289 WeakPolarHBondContact CD1-O 3.23Å; F289-T291 HydrophobicContact CE1-CG2 4.04Å; F289-T291 HydrophobicContact CE2-CG2 4.35Å; F289-T291 HydrophobicContact CZ-CG2 3.53Å; F289-Y314 HydrophobicContact CD1-CD1 4.06Å; F289-Y314 HydrophobicContact CD1-CD2 4.42Å; F289-Y314 HydrophobicContact CD1-CE1 4.35Å; F289-Y314 HydrophobicContact CD1-CG 4.08Å; F289-Y314 AromaticContact CE1-CD1 3.75Å; F289-Y314 HydrophobicContact CE1-CD1 3.75Å; F289-Y314 HydrophobicContact CE1-CE1 4.44Å; F289-Y314 AromaticContact CE1-CG 3.78Å; F289-Y314 HydrophobicContact CE1-CG 3.78Å; F289-L322 HydrophobicContact CE2-CB 4.02Å; F289-L322 HydrophobicContact CZ-CB 3.67Å; F289-L322 HydrophobicContact CZ-CD1 4.1Å; F289-F323 HydrophobicContact CB-CB 4.23Å; F289-F323 HydrophobicContact CB-CD1 3.56Å; F289-F323 HydrophobicContact CB-CD2 3.82Å; F289-F323 HydrophobicContact CB-CE1 3.78Å; F289-F323 HydrophobicContact CB-CE2 4Å; F289-F323 HydrophobicContact CB-CG 3.6Å; F289-F323 HydrophobicContact CB-CZ 3.99Å; F289-F323 HydrophobicContact CD1-CB 3.81Å; F289-F323 AromaticContact CD1-CD1 3.89Å; F289-F323 HydrophobicContact CD1-CD1 3.89Å; F289-F323 AromaticContact CD1-CG 3.99Å; F289-F323 HydrophobicContact CD1-CG 3.99Å; F289-F323 HydrophobicContact CD2-CB 3.43Å; F289-F323 VanDerWaalsContact CD2-CB 3.43Å; F289-F323 HydrophobicContact CD2-CD1 4.4Å; F289-F323 HydrophobicContact CD2-CD2 4.04Å; F289-F323 AromaticContact CD2-CG 3.72Å; F289-F323 HydrophobicContact CD2-CG 3.72Å; F289-F323 HydrophobicContact CE1-CB 3.96Å; F289-F323 HydrophobicContact CE2-CB 3.6Å; F289-F323 HydrophobicContact CE2-CG 4.38Å; F289-F323 HydrophobicContact CG-CB 3.54Å; F289-F323 AromaticContact CG-CD1 3.7Å; F289-F323 HydrophobicContact CG-CD1 3.7Å; F289-F323 HydrophobicContact CG-CD2 4.03Å; F289-F323 HydrophobicContact CG-CE1 4.41Å; F289-F323 AromaticContact CG-CG 3.48Å; F289-F323 HydrophobicContact CG-CG 3.48Å; F289-F323 VanDerWaalsContact CG-CG 3.48Å; F289-F323 HydrophobicContact CZ-CB 3.85Å
290	F	98.6	Very high	97.5	Very high	53 Å²	53	59.1 Å²	59.1	23%	0.232	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	137.9	174.6	172.3	-93	0	0	0	110.1	V220 N252 L253 Q254 T276 L287	V220-F290 HydrophobicContact CG2-CD2 3.74Å; V220-F290 HydrophobicContact CG2-CE2 4.08Å; V220-F290 HydrophobicContact CG2-CG 4.5Å; N252-F290 HydrophobicContact CB-CE2 4.31Å; L253-F290 CarbonylContact O-C 3.53Å; L253-F290 WeakPolarHBondContact O-CA 3.5Å; Q254-F290 HydrophobicContact CG-CD2 3.84Å; Q254-F290 HydrophobicContact CG-CE2 4.43Å; T276-F290 HydrophobicContact CG2-CD1 4.19Å; T276-F290 HydrophobicContact CG2-CD2 4.43Å; T276-F290 HydrophobicContact CG2-CE1 3.63Å; T276-F290 HydrophobicContact CG2-CE2 3.94Å; T276-F290 HydrophobicContact CG2-CZ 3.5Å; L287-F290 HydrophobicContact CD1-CB 4.33Å; L287-F290 HydrophobicContact CD2-CB 4.17Å
291	T	97.9	Very high	97.5	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	126.6	160.8	179.9	0	0	0	0	111.3	N252 L253 F289 K293 L322	N252-T291 VanDerWaalsContact CB-O 3.23Å; N252-T291 WeakPolarHBondContact CB-O 3.46Å; L253-T291 HydrophobicContact CB-CG2 3.83Å; L253-T291 HydrophobicContact CD1-CG2 4.22Å; L253-T291 HydrophobicContact CG-CG2 4.35Å; L253-T291 PolarHBondContact N-O 2.99Å; L253-T291 PolarHBondContact O-N 3.2Å; F289-T291 HydrophobicContact CE1-CG2 4.04Å; F289-T291 HydrophobicContact CE2-CG2 4.35Å; F289-T291 HydrophobicContact CZ-CG2 3.53Å; T291-K293 PolarHBondContact OG1-N 3.28Å; T291-L322 HydrophobicContact CG2-CD1 3.69Å
292	G	96.7	Very high	97.5	Very high	2 Å²	2	47 Å²	47	2%	0.021	24%	0.24	C	C	.	.			trans	-118.5	12.6	166.1	0	0	0	0	0	113.2	D273 S294	D273-G292 VanDerWaalsContact O-CA 3.24Å; D273-G292 WeakPolarHBondContact O-CA 3.33Å; G292-S294 PolarHBondContact O-N 2.98Å
293	K	96.4	Very high	97.5	Very high	131 Å²	131	46 Å²	46	57%	0.57	23%	0.234	S	C	*	.			trans	-65.8	124.7	-172.1	-66.5	-177.3	178.7	179.9	0	111.2	L272 T291 S295 T296	L272-K293 WeakPolarHBondContact CD2-O 3.19Å; T291-K293 PolarHBondContact OG1-N 3.28Å; K293-S295 PolarHBondContact O-N 2.74Å; K293-T296 HydrophobicContact CB-CG2 4.33Å; K293-T296 WeakPolarHBondContact O-CB 3.42Å; K293-T296 WeakPolarHBondContact O-CG2 3.12Å; K293-T296 PolarHBondContact O-N 2.88Å; K293-T296 PolarHBondContact O-OG1 2.84Å
294	S	94.9	Very high	97.6	Very high	86 Å²	86	45.8 Å²	45.8	60%	0.601	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-55.7	-23.3	174.8	63.1	0	0	0	0	114.3	G292 T296 K297	G292-S294 PolarHBondContact O-N 2.98Å; S294-T296 PolarHBondContact O-N 2.96Å; S294-K297 PolarHBondContact O-N 3.19Å
295	S	95.5	Very high	97.7	Very high	76 Å²	76	37.1 Å²	37.1	53%	0.531	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-64.2	-20.2	174.6	63.1	0	0	0	0	114	K293 K297	K293-S295 PolarHBondContact O-N 2.74Å; S295-K297 VanDerWaalsContact C-N 3.28Å
296	T	96.1	Very high	97.7	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.049	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-75.3	-18.8	176.8	62.9	0	0	0	0	112.6	L272 K293 S294 G298 Q316 A317 L322	L272-T296 WeakPolarHBondContact CD2-OG1 3.27Å; K293-T296 HydrophobicContact CB-CG2 4.33Å; K293-T296 WeakPolarHBondContact O-CB 3.42Å; K293-T296 WeakPolarHBondContact O-CG2 3.12Å; K293-T296 PolarHBondContact O-N 2.88Å; K293-T296 PolarHBondContact O-OG1 2.84Å; S294-T296 PolarHBondContact O-N 2.96Å; T296-G298 PolarHBondContact O-N 3.17Å; T296-Q316 HydrophobicContact CG2-CB 4.17Å; T296-A317 PolarHBondContact O-N 3.01Å; T296-L322 HydrophobicContact CG2-CD1 4.2Å
297	K	97.1	Very high	97.5	Very high	81 Å²	81	36 Å²	36	35%	0.352	19%	0.187	S	C	.	.			trans	59.6	17.6	-179.3	-60.1	-61.5	-173.7	-178.1	0	115.4	E56 L59 S294 S295 A317 I318	E56-K297 VanDerWaalsContact CA-O 3.29Å; E56-K297 WeakPolarHBondContact CA-O 3.38Å; L59-K297 HydrophobicContact CD1-CB 3.83Å; L59-K297 HydrophobicContact CD1-CG 4.14Å; S294-K297 PolarHBondContact O-N 3.19Å; S295-K297 VanDerWaalsContact C-N 3.28Å; K297-A317 HydrophobicContact CB-CB 4.22Å; K297-A317 WeakPolarHBondContact O-CB 3.36Å; K297-I318 HydrophobicContact CB-CG2 4.07Å; K297-I318 HydrophobicContact CG-CG2 4.01Å
298	G	96.9	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.			trans	117.8	-175.2	-177.3	0	0	0	0	0	110.7	A268 T296 Q316 A317	A268-G298 CarbonylContact O-C 3.31Å; A268-G298 WeakPolarHBondContact O-CA 3.47Å; T296-G298 PolarHBondContact O-N 3.17Å; G298-Q316 WeakPolarHBondContact O-CA 3.23Å; G298-A317 PolarHBondContact O-N 2.84Å
299	G	98.1	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	172.9	179.1	0	0	0	0	0	114.1	A268 F315	A268-G299 CarbonylContact C-O 3.57Å; A268-G299 PolarHBondContact O-N 3.43Å; G299-F315 CarbonylContact C-O 3.48Å; G299-F315 WeakPolarHBondContact CA-O 3.5Å
300	F	98.9	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	175.3	-174.8	61.4	-83.2	0	0	0	109.8	L39 V40 V41 T60 E63 M64 V67 F315	L39-F300 HydrophobicContact CD1-CE2 4.41Å; L39-F300 HydrophobicContact CD2-CD2 4.22Å; L39-F300 HydrophobicContact CD2-CE2 3.97Å; V40-F300 WeakPolarHBondContact O-CB 3.43Å; V41-F300 HydrophobicContact CB-CB 4.28Å; V41-F300 HydrophobicContact CG2-CB 4.43Å; T60-F300 HydrophobicContact CG2-CD1 3.99Å; E63-F300 HydrophobicContact CB-CE1 4.04Å; E63-F300 HydrophobicContact CG-CE1 3.94Å; E63-F300 HydrophobicContact CG-CZ 4.18Å; M64-F300 VanDerWaalsContact CA-CZ 3.48Å; M64-F300 HydrophobicContact CB-CE1 4.36Å; M64-F300 HydrophobicContact CB-CE2 4.48Å; M64-F300 HydrophobicContact CB-CZ 4.25Å; M64-F300 HydrophobicContact CG-CB 4.4Å; M64-F300 HydrophobicContact CG-CD1 3.56Å; M64-F300 HydrophobicContact CG-CD2 3.84Å; M64-F300 HydrophobicContact CG-CE1 3.65Å; M64-F300 HydrophobicContact CG-CE2 3.92Å; M64-F300 HydrophobicContact CG-CG 3.66Å; M64-F300 HydrophobicContact CG-CZ 3.83Å; V67-F300 HydrophobicContact CB-CE2 4.07Å; V67-F300 HydrophobicContact CB-CZ 3.94Å; V67-F300 HydrophobicContact CG1-CE2 4.12Å; V67-F300 HydrophobicContact CG1-CZ 4.46Å; V67-F300 HydrophobicContact CG2-CE2 4.19Å; V67-F300 HydrophobicContact CG2-CZ 3.72Å; F300-F315 HydrophobicContact CD1-CB 4.41Å; F300-F315 HydrophobicContact CE1-CB 3.99Å; F300-F315 HydrophobicContact CE2-CB 4.23Å; F300-F315 HydrophobicContact CE2-CD2 4.26Å; F300-F315 HydrophobicContact CE2-CG 4.46Å; F300-F315 HydrophobicContact CZ-CB 3.89Å; F300-F315 HydrophobicContact CZ-CG 4.31Å; F300-F315 PolarHBondContact N-O 3.34Å; F300-F315 VanDerWaalsContact N-O 3.09Å; F300-F315 PolarHBondContact O-N 3.26Å
301	V	98.9	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.4	176.7	-179.7	0	0	0	0	110.5	L39 V40 V264 L312 T313 Y314	L39-V301 CarbonylContact C-O 3.49Å; L39-V301 WeakPolarHBondContact CA-O 3.28Å; V40-V301 HydrophobicContact CB-CB 4.18Å; V40-V301 PolarHBondContact N-O 3.39Å; V40-V301 PolarHBondContact O-N 3.29Å; V264-V301 HydrophobicContact CG1-CG2 4.04Å; V301-L312 HydrophobicContact CG1-CB 4.3Å; V301-L312 HydrophobicContact CG1-CD2 3.97Å; V301-T313 WeakPolarHBondContact CA-O 3.27Å; V301-Y314 HydrophobicContact CG2-CD1 3.4Å; V301-Y314 HydrophobicContact CG2-CD2 4.4Å; V301-Y314 HydrophobicContact CG2-CE1 3.38Å; V301-Y314 HydrophobicContact CG2-CE2 4.37Å; V301-Y314 HydrophobicContact CG2-CG 3.95Å
302	H	98.8	Very high	97.4	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.9	161.8	179.1	-85.3	0	0	0	109	L39 V67 G72 T313 F315	L39-H302 HydrophobicContact CD2-CB 4.05Å; V67-H302 HydrophobicContact CG1-CB 4.17Å; G72-H302 PolarHBondContact O-NE2 2.9Å; H302-T313 PolarHBondContact N-O 2.91Å; H302-T313 PolarHBondContact O-N 3.42Å; H302-F315 HydrophobicContact CB-CD2 4.16Å; H302-F315 HydrophobicContact CB-CE2 3.73Å
303	A	98.9	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.8	175.8	0	0	0	0	0	110.7	R37 F38 L310 F311 L312	R37-A303 CarbonylContact C-O 3.51Å; R37-A303 VanDerWaalsContact CA-O 3.24Å; R37-A303 WeakPolarHBondContact CA-O 3.35Å; F38-A303 HydrophobicContact CD1-CB 3.91Å; F38-A303 HydrophobicContact CD2-CB 3.81Å; F38-A303 HydrophobicContact CE1-CB 3.55Å; F38-A303 HydrophobicContact CE2-CB 3.43Å; F38-A303 VanDerWaalsContact CE2-CB 3.43Å; F38-A303 HydrophobicContact CG-CB 4.04Å; F38-A303 HydrophobicContact CZ-CB 3.29Å; F38-A303 PolarHBondContact N-O 3.21Å; F38-A303 PolarHBondContact O-N 3.18Å; A303-L310 HydrophobicContact CB-CD1 4.12Å; A303-F311 CarbonylContact C-O 3.59Å; A303-F311 VanDerWaalsContact CA-O 3.27Å; A303-F311 WeakPolarHBondContact CA-O 3.42Å; A303-L312 HydrophobicContact CB-CD2 3.91Å
304	E	98.7	Very high	97.6	Very high	33 Å²	33	26.9 Å²	26.9	15%	0.154	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.3	169.7	176.8	167.3	-148.3	0	0	109.9	S35 I36 R37 T306 L310 F311	S35-E304 WeakPolarHBondContact CB-OE1 3.34Å; S35-E304 PolarHBondContact OG-OE1 3.16Å; I36-E304 CarbonylContact O-C 3.59Å; I36-E304 WeakPolarHBondContact O-CA 3.49Å; R37-E304 HydrophobicContact CG-CB 4.22Å; R37-E304 HydrophobicContact CG-CG 4Å; R37-E304 IonicContact CZ-OE1 3.75Å; R37-E304 VanDerWaalsContact CZ-OE1 3.31Å; R37-E304 IonicContact NE-OE1 2.68Å; R37-E304 PolarHBondContact NE-OE1 2.79Å; R37-E304 IonicContact NH2-OE1 3.48Å; R37-E304 PolarHBondContact NH2-OE1 3.49Å; E304-T306 HydrophobicContact CG-CG2 4.28Å; E304-L310 CarbonylContact O-C 3.48Å; E304-L310 WeakPolarHBondContact O-CA 3.34Å; E304-F311 HydrophobicContact CB-CB 4.39Å; E304-F311 PolarHBondContact N-O 2.94Å; E304-F311 PolarHBondContact O-N 3.39Å
305	V	98.5	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.2	177.6	-169.5	0	0	0	0	108.7	S35 I36 F38 I152 L159 F208 K309 L310	S35-V305 CarbonylContact C-O 3.54Å; S35-V305 WeakPolarHBondContact CA-O 3.4Å; S35-V305 WeakPolarHBondContact CB-O 3.16Å; I36-V305 PolarHBondContact N-O 3.38Å; I36-V305 PolarHBondContact O-N 3.32Å; F38-V305 HydrophobicContact CE1-CG2 3.94Å; I152-V305 HydrophobicContact CD1-CB 4.49Å; I152-V305 HydrophobicContact CD1-CG1 3.62Å; L159-V305 HydrophobicContact CD1-CG2 4.49Å; L159-V305 HydrophobicContact CD2-CG2 4.07Å; F208-V305 HydrophobicContact CB-CG1 4.22Å; F208-V305 HydrophobicContact CD1-CG1 3.94Å; F208-V305 HydrophobicContact CD2-CG1 3.38Å; F208-V305 HydrophobicContact CE1-CG1 4.13Å; F208-V305 HydrophobicContact CE2-CG1 3.59Å; F208-V305 HydrophobicContact CG-CG1 3.56Å; F208-V305 HydrophobicContact CZ-CG1 3.96Å; V305-K309 WeakPolarHBondContact CA-O 3.34Å; V305-L310 HydrophobicContact CG2-CD1 3.66Å
306	T	97.1	Very high	97.9	Very high	22 Å²	22	21.1 Å²	21.1	14%	0.135	11%	0.106	C	C	.	.			trans	-99.1	-170.4	175.5	80	0	0	0	0	110.7	I152 F208 E304 S308 K309 F311	I152-T306 WeakPolarHBondContact CD1-O 3.21Å; F208-T306 WeakPolarHBondContact CE2-O 3.37Å; E304-T306 HydrophobicContact CG-CG2 4.28Å; T306-S308 PolarHBondContact O-N 3.1Å; T306-S308 VanDerWaalsContact O-N 3.14Å; T306-S308 PolarHBondContact OG1-N 3.18Å; T306-K309 PolarHBondContact N-O 3.26Å; T306-K309 PolarHBondContact OG1-N 2.86Å; T306-K309 VanDerWaalsContact OG1-N 3.17Å; T306-F311 HydrophobicContact CG2-CD2 4.21Å; T306-F311 HydrophobicContact CG2-CE2 3.8Å
307	D	94.5	Very high	97.9	Very high	78 Å²	78	21 Å²	21	42%	0.417	11%	0.105	S	C	.	.	S	Bend	trans	-55.5	-19.8	169.7	64.6	-15.9	0	0	0	115.9	T155 K157	T155-D307 HydrophobicContact CG2-CB 3.68Å; K157-D307 HydrophobicContact CG-CB 4.46Å
308	S	95.4	Very high	97.6	Very high	44 Å²	44	21.6 Å²	21.6	31%	0.308	11%	0.111	S	C	.	.	S	Bend	trans	-146.8	-20.3	-165.8	56.9	0	0	0	0	114.7	T306 Q329	T306-S308 PolarHBondContact O-N 3.1Å; T306-S308 VanDerWaalsContact O-N 3.14Å; T306-S308 PolarHBondContact OG1-N 3.18Å; S308-Q329 PolarHBondContact O-N 2.97Å
309	K	98.1	Very high	96.9	Very high	75 Å²	75	23.4 Å²	23.4	33%	0.326	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.7	-177.1	-60.4	-64	172.6	178.5	0	113	V305 T306 F311 V326 L327 S328	V305-K309 WeakPolarHBondContact CA-O 3.34Å; T306-K309 PolarHBondContact N-O 3.26Å; T306-K309 PolarHBondContact OG1-N 2.86Å; T306-K309 VanDerWaalsContact OG1-N 3.17Å; K309-F311 HydrophobicContact CB-CD2 4.21Å; K309-F311 HydrophobicContact CB-CE2 3.59Å; K309-F311 HydrophobicContact CB-CZ 3.83Å; K309-F311 HydrophobicContact CG-CE2 4.47Å; K309-F311 HydrophobicContact CG-CZ 4.3Å; K309-V326 HydrophobicContact CB-CG1 3.82Å; K309-V326 HydrophobicContact CD-CG1 3.78Å; K309-V326 HydrophobicContact CG-CG1 4.04Å; K309-L327 WeakPolarHBondContact CA-O 3.29Å; K309-S328 PolarHBondContact NZ-OG 2.92Å
310	L	98.7	Very high	96.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115	161.7	163.4	62.3	0	0	0	108	F208 L210 T243 A303 E304 V305 L312 V326 L327	F208-L310 HydrophobicContact CD1-CB 4.01Å; F208-L310 HydrophobicContact CE1-CB 3.83Å; L210-L310 HydrophobicContact CD2-CD2 3.84Å; T243-L310 HydrophobicContact CG2-CD2 3.98Å; A303-L310 HydrophobicContact CB-CD1 4.12Å; E304-L310 CarbonylContact O-C 3.48Å; E304-L310 WeakPolarHBondContact O-CA 3.34Å; V305-L310 HydrophobicContact CG2-CD1 3.66Å; L310-L312 HydrophobicContact CD1-CD2 3.98Å; L310-L312 HydrophobicContact CD1-CG 4.23Å; L310-L312 HydrophobicContact CD2-CD1 4.46Å; L310-L312 HydrophobicContact CD2-CD2 4.48Å; L310-L312 HydrophobicContact CD2-CG 4.45Å; L310-L312 HydrophobicContact CG-CD2 4.34Å; L310-L312 HydrophobicContact CG-CG 4.14Å; L310-V326 CarbonylContact O-C 3.56Å; L310-V326 WeakPolarHBondContact O-CA 3.39Å; L310-L327 HydrophobicContact CB-CB 4.29Å; L310-L327 HydrophobicContact CD2-CB 4.46Å; L310-L327 HydrophobicContact CD2-CD1 4.1Å; L310-L327 PolarHBondContact N-O 3.48Å; L310-L327 PolarHBondContact O-N 2.94Å
311	F	98.8	Very high	96.1	Very high	47 Å²	47	30.2 Å²	30.2	21%	0.206	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.9	171.7	-60.8	-88.5	0	0	0	109.4	A303 E304 T306 K309 V326	A303-F311 CarbonylContact C-O 3.59Å; A303-F311 VanDerWaalsContact CA-O 3.27Å; A303-F311 WeakPolarHBondContact CA-O 3.42Å; E304-F311 HydrophobicContact CB-CB 4.39Å; E304-F311 PolarHBondContact N-O 2.94Å; E304-F311 PolarHBondContact O-N 3.39Å; T306-F311 HydrophobicContact CG2-CD2 4.21Å; T306-F311 HydrophobicContact CG2-CE2 3.8Å; K309-F311 HydrophobicContact CB-CD2 4.21Å; K309-F311 HydrophobicContact CB-CE2 3.59Å; K309-F311 HydrophobicContact CB-CZ 3.83Å; K309-F311 HydrophobicContact CG-CE2 4.47Å; K309-F311 HydrophobicContact CG-CZ 4.3Å; F311-V326 HydrophobicContact CD1-CB 4.36Å; F311-V326 HydrophobicContact CD1-CG1 3.97Å; F311-V326 HydrophobicContact CD1-CG2 3.56Å; F311-V326 HydrophobicContact CE1-CB 4.49Å; F311-V326 HydrophobicContact CE1-CG1 3.86Å; F311-V326 HydrophobicContact CE1-CG2 3.74Å; F311-V326 HydrophobicContact CZ-CG1 4.35Å
312	L	98.8	Very high	95.9	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.2	174.6	-64.8	165.9	0	0	0	108.3	Y255 V264 V301 A303 L310 Y314 R324 T325 L327	Y255-L312 HydrophobicContact CE2-CD1 4.28Å; V264-L312 HydrophobicContact CG2-CD1 3.57Å; V301-L312 HydrophobicContact CG1-CB 4.3Å; V301-L312 HydrophobicContact CG1-CD2 3.97Å; A303-L312 HydrophobicContact CB-CD2 3.91Å; L310-L312 HydrophobicContact CD1-CD2 3.98Å; L310-L312 HydrophobicContact CD1-CG 4.23Å; L310-L312 HydrophobicContact CD2-CD1 4.46Å; L310-L312 HydrophobicContact CD2-CD2 4.48Å; L310-L312 HydrophobicContact CD2-CG 4.45Å; L310-L312 HydrophobicContact CG-CD2 4.34Å; L310-L312 HydrophobicContact CG-CG 4.14Å; L312-Y314 HydrophobicContact CB-CE2 4.38Å; L312-R324 VanDerWaalsContact O-CA 3.27Å; L312-R324 WeakPolarHBondContact O-CA 3.39Å; L312-T325 HydrophobicContact CB-CG2 3.87Å; L312-T325 HydrophobicContact CD1-CG2 4.09Å; L312-T325 PolarHBondContact N-O 3.2Å; L312-T325 PolarHBondContact O-N 2.88Å; L312-L327 HydrophobicContact CD1-CD1 3.93Å
313	T	98.8	Very high	95.8	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.1	179.6	-49	0	0	0	0	109.5	V301 H302 F315 F323	V301-T313 WeakPolarHBondContact CA-O 3.27Å; H302-T313 PolarHBondContact N-O 2.91Å; H302-T313 PolarHBondContact O-N 3.42Å; T313-F315 HydrophobicContact CG2-CD2 4.18Å; T313-F315 HydrophobicContact CG2-CE2 3.44Å; T313-F315 VanDerWaalsContact CG2-CE2 3.44Å; T313-F315 HydrophobicContact CG2-CZ 3.64Å; T313-F315 WeakPolarHBondContact O-CD2 3.15Å; T313-F323 WeakPolarHBondContact CA-O 3.26Å
314	Y	98.8	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.6	-178.3	-68.2	-106.3	0	0	0	109.3	L253 Q254 Y255 V264 F289 V301 L312 S321 L322 F323	L253-Y314 HydrophobicContact CB-CD1 3.96Å; L253-Y314 HydrophobicContact CB-CE1 4.47Å; L253-Y314 HydrophobicContact CD1-CD1 4.25Å; L253-Y314 HydrophobicContact CD2-CD1 4.46Å; L253-Y314 HydrophobicContact CG-CD1 4.46Å; Q254-Y314 WeakPolarHBondContact O-CE1 3.47Å; Q254-Y314 PolarHBondContact O-OH 2.85Å; Q254-Y314 VanDerWaalsContact O-OH 3.07Å; Y255-Y314 WeakPolarHBondContact CB-OH 3.49Å; V264-Y314 HydrophobicContact CG1-CE1 4.42Å; V264-Y314 WeakPolarHBondContact CG1-OH 3.47Å; F289-Y314 HydrophobicContact CD1-CD1 4.06Å; F289-Y314 HydrophobicContact CD1-CD2 4.42Å; F289-Y314 HydrophobicContact CD1-CE1 4.35Å; F289-Y314 HydrophobicContact CD1-CG 4.08Å; F289-Y314 AromaticContact CE1-CD1 3.75Å; F289-Y314 HydrophobicContact CE1-CD1 3.75Å; F289-Y314 HydrophobicContact CE1-CE1 4.44Å; F289-Y314 AromaticContact CE1-CG 3.78Å; F289-Y314 HydrophobicContact CE1-CG 3.78Å; V301-Y314 HydrophobicContact CG2-CD1 3.4Å; V301-Y314 HydrophobicContact CG2-CD2 4.4Å; V301-Y314 HydrophobicContact CG2-CE1 3.38Å; V301-Y314 HydrophobicContact CG2-CE2 4.37Å; V301-Y314 HydrophobicContact CG2-CG 3.95Å; L312-Y314 HydrophobicContact CB-CE2 4.38Å; Y314-S321 CarbonylContact O-C 3.43Å; Y314-S321 WeakPolarHBondContact O-CA 3.21Å; Y314-L322 PolarHBondContact O-N 3.03Å; Y314-F323 HydrophobicContact CD2-CB 4.32Å; Y314-F323 AromaticContact CD2-CD1 3.65Å; Y314-F323 HydrophobicContact CD2-CD1 3.65Å; Y314-F323 HydrophobicContact CD2-CG 4.48Å; Y314-F323 AromaticContact CE2-CD1 3.83Å; Y314-F323 HydrophobicContact CE2-CD1 3.83Å; Y314-F323 HydrophobicContact CE2-CE1 4.32Å; Y314-F323 PolarHBondContact N-O 2.8Å
315	F	98.6	Very high	95.8	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.6	-179.4	-72.3	-88.4	0	0	0	110.5	V67 M71 G299 F300 H302 T313	V67-F315 HydrophobicContact CG1-CD2 4.45Å; V67-F315 HydrophobicContact CG1-CE2 4.1Å; V67-F315 HydrophobicContact CG1-CZ 4.33Å; V67-F315 HydrophobicContact CG2-CD1 3.9Å; V67-F315 HydrophobicContact CG2-CD2 4.36Å; V67-F315 HydrophobicContact CG2-CE1 3.96Å; V67-F315 HydrophobicContact CG2-CE2 4.4Å; V67-F315 HydrophobicContact CG2-CG 4.12Å; V67-F315 HydrophobicContact CG2-CZ 4.21Å; M71-F315 HydrophobicContact CE-CZ 4.49Å; M71-F315 HydrophobicContact SD-CE2 4.13Å; M71-F315 HydrophobicContact SD-CZ 3.63Å; G299-F315 CarbonylContact C-O 3.48Å; G299-F315 WeakPolarHBondContact CA-O 3.5Å; F300-F315 HydrophobicContact CD1-CB 4.41Å; F300-F315 HydrophobicContact CE1-CB 3.99Å; F300-F315 HydrophobicContact CE2-CB 4.23Å; F300-F315 HydrophobicContact CE2-CD2 4.26Å; F300-F315 HydrophobicContact CE2-CG 4.46Å; F300-F315 HydrophobicContact CZ-CB 3.89Å; F300-F315 HydrophobicContact CZ-CG 4.31Å; F300-F315 PolarHBondContact N-O 3.34Å; F300-F315 VanDerWaalsContact N-O 3.09Å; F300-F315 PolarHBondContact O-N 3.26Å; H302-F315 HydrophobicContact CB-CD2 4.16Å; H302-F315 HydrophobicContact CB-CE2 3.73Å; T313-F315 HydrophobicContact CG2-CD2 4.18Å; T313-F315 HydrophobicContact CG2-CE2 3.44Å; T313-F315 VanDerWaalsContact CG2-CE2 3.44Å; T313-F315 HydrophobicContact CG2-CZ 3.64Å; T313-F315 WeakPolarHBondContact O-CD2 3.15Å
316	Q	97.6	Very high	95.8	Very high	24 Å²	24	44.7 Å²	44.7	11%	0.112	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	155.5	160.3	54.8	-179.4	5.2	0	0	110.8	T296 G298 I318 G319 T320 L322	T296-Q316 HydrophobicContact CG2-CB 4.17Å; G298-Q316 WeakPolarHBondContact O-CA 3.23Å; Q316-I318 HydrophobicContact CB-CG1 4.4Å; Q316-I318 HydrophobicContact CG-CG1 3.73Å; Q316-I318 PolarHBondContact O-N 3.3Å; Q316-G319 PolarHBondContact O-N 3.38Å; Q316-G319 VanDerWaalsContact O-N 3.14Å; Q316-T320 WeakPolarHBondContact CG-O 3.4Å; Q316-T320 PolarHBondContact N-O 3.4Å; Q316-T320 PolarHBondContact NE2-OG1 3.34Å; Q316-L322 HydrophobicContact CB-CD1 4Å; Q316-L322 HydrophobicContact CB-CD2 4.4Å; Q316-L322 HydrophobicContact CB-CG 4.22Å; Q316-L322 HydrophobicContact CG-CD1 4.48Å; Q316-L322 HydrophobicContact CG-CD2 4.01Å; Q316-L322 HydrophobicContact CG-CG 4.21Å
317	A	95.3	Very high	95.9	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.1	-178.8	0	0	0	0	0	114.6	L59 E63 T296 K297 G298	L59-A317 HydrophobicContact CB-CB 4Å; E63-A317 WeakPolarHBondContact CB-O 3.38Å; T296-A317 PolarHBondContact O-N 3.01Å; K297-A317 HydrophobicContact CB-CB 4.22Å; K297-A317 WeakPolarHBondContact O-CB 3.36Å; G298-A317 PolarHBondContact O-N 2.84Å
318	I	92.1	Very high	95.9	Very high	93 Å²	93	43.5 Å²	43.5	48%	0.477	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	17.6	177	63	172.7	0	0	0	113.8	K297 Q316	K297-I318 HydrophobicContact CB-CG2 4.07Å; K297-I318 HydrophobicContact CG-CG2 4.01Å; Q316-I318 HydrophobicContact CB-CG1 4.4Å; Q316-I318 HydrophobicContact CG-CG1 3.73Å; Q316-I318 PolarHBondContact O-N 3.3Å
319	G	82.4	Confident	95.9	Very high	39 Å²	39	44.3 Å²	44.3	40%	0.402	24%	0.24	S	C	.	.	S	Bend	trans	87.4	22.1	163.7	0	0	0	0	0	117.4	E63 Q316	E63-G319 VanDerWaalsContact OE1-CA 3.3Å; E63-G319 WeakPolarHBondContact OE1-CA 3.42Å; Q316-G319 PolarHBondContact O-N 3.38Å; Q316-G319 VanDerWaalsContact O-N 3.14Å
320	T	88.3	Confident	95.7	Very high	71 Å²	71	41.9 Å²	41.9	44%	0.436	23%	0.229	S	C	.	.			trans	-113.9	135.3	173.5	-40.1	0	0	0	0	110.7	Q316 L322	Q316-T320 WeakPolarHBondContact CG-O 3.4Å; Q316-T320 PolarHBondContact N-O 3.4Å; Q316-T320 PolarHBondContact NE2-OG1 3.34Å; T320-L322 PolarHBondContact O-N 3.36Å
321	S	91.1	Very high	95.1	Very high	71 Å²	71	49.6 Å²	49.6	50%	0.497	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.2	165.5	62.1	0	0	0	0	109.5	Y314	Y314-S321 CarbonylContact O-C 3.43Å; Y314-S321 WeakPolarHBondContact O-CA 3.21Å
322	L	94.1	Very high	94	Very high	60 Å²	60	51.9 Å²	51.9	31%	0.314	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-35.6	-178	-62.8	-176.7	0	0	0	112.9	F289 T291 T296 Y314 Q316 T320	F289-L322 HydrophobicContact CE2-CB 4.02Å; F289-L322 HydrophobicContact CZ-CB 3.67Å; F289-L322 HydrophobicContact CZ-CD1 4.1Å; T291-L322 HydrophobicContact CG2-CD1 3.69Å; T296-L322 HydrophobicContact CG2-CD1 4.2Å; Y314-L322 PolarHBondContact O-N 3.03Å; Q316-L322 HydrophobicContact CB-CD1 4Å; Q316-L322 HydrophobicContact CB-CD2 4.4Å; Q316-L322 HydrophobicContact CB-CG 4.22Å; Q316-L322 HydrophobicContact CG-CD1 4.48Å; Q316-L322 HydrophobicContact CG-CD2 4.01Å; Q316-L322 HydrophobicContact CG-CG 4.21Å; T320-L322 PolarHBondContact O-N 3.36Å
323	F	98.2	Very high	92	Very high	52 Å²	52	63.9 Å²	63.9	23%	0.228	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	149.1	-173.9	178.8	-106.3	0	0	0	110.3	Y255 K288 F289 T313 Y314 T325	Y255-F323 AromaticContact CD1-CE1 3.61Å; Y255-F323 HydrophobicContact CD1-CE1 3.61Å; Y255-F323 AromaticContact CD1-CZ 3.89Å; Y255-F323 HydrophobicContact CD1-CZ 3.89Å; Y255-F323 AromaticContact CG-CE1 3.85Å; Y255-F323 HydrophobicContact CG-CE1 3.85Å; K288-F323 HydrophobicContact CB-CZ 4.29Å; F289-F323 HydrophobicContact CB-CB 4.23Å; F289-F323 HydrophobicContact CB-CD1 3.56Å; F289-F323 HydrophobicContact CB-CD2 3.82Å; F289-F323 HydrophobicContact CB-CE1 3.78Å; F289-F323 HydrophobicContact CB-CE2 4Å; F289-F323 HydrophobicContact CB-CG 3.6Å; F289-F323 HydrophobicContact CB-CZ 3.99Å; F289-F323 HydrophobicContact CD1-CB 3.81Å; F289-F323 AromaticContact CD1-CD1 3.89Å; F289-F323 HydrophobicContact CD1-CD1 3.89Å; F289-F323 AromaticContact CD1-CG 3.99Å; F289-F323 HydrophobicContact CD1-CG 3.99Å; F289-F323 HydrophobicContact CD2-CB 3.43Å; F289-F323 VanDerWaalsContact CD2-CB 3.43Å; F289-F323 HydrophobicContact CD2-CD1 4.4Å; F289-F323 HydrophobicContact CD2-CD2 4.04Å; F289-F323 AromaticContact CD2-CG 3.72Å; F289-F323 HydrophobicContact CD2-CG 3.72Å; F289-F323 HydrophobicContact CE1-CB 3.96Å; F289-F323 HydrophobicContact CE2-CB 3.6Å; F289-F323 HydrophobicContact CE2-CG 4.38Å; F289-F323 HydrophobicContact CG-CB 3.54Å; F289-F323 AromaticContact CG-CD1 3.7Å; F289-F323 HydrophobicContact CG-CD1 3.7Å; F289-F323 HydrophobicContact CG-CD2 4.03Å; F289-F323 HydrophobicContact CG-CE1 4.41Å; F289-F323 AromaticContact CG-CG 3.48Å; F289-F323 HydrophobicContact CG-CG 3.48Å; F289-F323 VanDerWaalsContact CG-CG 3.48Å; F289-F323 HydrophobicContact CZ-CB 3.85Å; T313-F323 WeakPolarHBondContact CA-O 3.26Å; Y314-F323 HydrophobicContact CD2-CB 4.32Å; Y314-F323 AromaticContact CD2-CD1 3.65Å; Y314-F323 HydrophobicContact CD2-CD1 3.65Å; Y314-F323 HydrophobicContact CD2-CG 4.48Å; Y314-F323 AromaticContact CE2-CD1 3.83Å; Y314-F323 HydrophobicContact CE2-CD1 3.83Å; Y314-F323 HydrophobicContact CE2-CE1 4.32Å; Y314-F323 PolarHBondContact N-O 2.8Å; F323-T325 HydrophobicContact CE1-CG2 3.96Å
324	R	98.3	Very high	91.7	Very high	139 Å²	139	66.6 Å²	66.6	53%	0.525	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.2	173.3	-173.6	175.4	-177.7	179.5	2.8	110	L312	L312-R324 VanDerWaalsContact O-CA 3.27Å; L312-R324 WeakPolarHBondContact O-CA 3.39Å
325	T	98.6	Very high	91.3	Very high	21 Å²	21	70.1 Å²	70.1	13%	0.129	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	165.3	173.4	-171.1	0	0	0	0	110.6	Y255 L312 F323	Y255-T325 HydrophobicContact CD1-CG2 3.85Å; Y255-T325 HydrophobicContact CD2-CG2 3.94Å; Y255-T325 HydrophobicContact CE1-CG2 3.7Å; Y255-T325 WeakPolarHBondContact CE1-OG1 3.18Å; Y255-T325 HydrophobicContact CE2-CG2 3.7Å; Y255-T325 HydrophobicContact CG-CG2 4.02Å; L312-T325 HydrophobicContact CB-CG2 3.87Å; L312-T325 HydrophobicContact CD1-CG2 4.09Å; L312-T325 PolarHBondContact N-O 3.2Å; L312-T325 PolarHBondContact O-N 2.88Å; F323-T325 HydrophobicContact CE1-CG2 3.96Å
326	V	98.4	Very high	90.9	Very high	67 Å²	67	73 Å²	73	41%	0.406	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126.7	-177.1	-166.9	0	0	0	0	109.8	K309 L310 F311	K309-V326 HydrophobicContact CB-CG1 3.82Å; K309-V326 HydrophobicContact CD-CG1 3.78Å; K309-V326 HydrophobicContact CG-CG1 4.04Å; L310-V326 CarbonylContact O-C 3.56Å; L310-V326 WeakPolarHBondContact O-CA 3.39Å; F311-V326 HydrophobicContact CD1-CB 4.36Å; F311-V326 HydrophobicContact CD1-CG1 3.97Å; F311-V326 HydrophobicContact CD1-CG2 3.56Å; F311-V326 HydrophobicContact CE1-CB 4.49Å; F311-V326 HydrophobicContact CE1-CG1 3.86Å; F311-V326 HydrophobicContact CE1-CG2 3.74Å; F311-V326 HydrophobicContact CZ-CG1 4.35Å
327	L	98.1	Very high	90.5	Very high	10 Å²	10	75.9 Å²	75.9	5%	0.052	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147	174	-69.3	163.8	0	0	0	109.7	T243 A244 Y255 K309 L310 L312	T243-L327 HydrophobicContact CG2-CB 3.86Å; T243-L327 HydrophobicContact CG2-CD1 4.27Å; A244-L327 HydrophobicContact CB-CD1 3.92Å; Y255-L327 WeakPolarHBondContact OH-CD2 3.3Å; K309-L327 WeakPolarHBondContact CA-O 3.29Å; L310-L327 HydrophobicContact CB-CB 4.29Å; L310-L327 HydrophobicContact CD2-CB 4.46Å; L310-L327 HydrophobicContact CD2-CD1 4.1Å; L310-L327 PolarHBondContact N-O 3.48Å; L310-L327 PolarHBondContact O-N 2.94Å; L312-L327 HydrophobicContact CD1-CD1 3.93Å
328	S	96.5	Very high	90.2	Very high	66 Å²	66	80.3 Å²	80.3	46%	0.462	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	158.2	176	-60.2	0	0	0	0	111	K309	K309-S328 PolarHBondContact NZ-OG 2.92Å
329	Q	93.8	Very high	90.1	Very high	60 Å²	60	79.5 Å²	79.5	28%	0.28	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-57.2	161.6	166.5	70.3	-175.9	-26.1	0	0	111.5	D207 F208 S308	D207-Q329 HydrophobicContact CB-CB 4.48Å; F208-Q329 HydrophobicContact CD2-CB 4.43Å; F208-Q329 HydrophobicContact CE1-CB 3.99Å; F208-Q329 HydrophobicContact CE2-CB 3.87Å; F208-Q329 HydrophobicContact CZ-CB 3.63Å; S308-Q329 PolarHBondContact O-N 2.97Å
330	R	94.6	Very high	90.7	Very high	25 Å²	25	82.4 Å²	82.4	9%	0.094	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-67	136.9	175.1	-64.5	172.6	64.4	-146.5	5.8	110.5	S204 A206 D207 L209 H240 N241 F332	S204-R330 PolarHBondContact O-NH1 3.21Å; A206-R330 PolarHBondContact O-NH1 3.19Å; D207-R330 WeakPolarHBondContact O-CB 3.42Å; D207-R330 WeakPolarHBondContact O-CG 3.47Å; D207-R330 PolarHBondContact O-N 2.8Å; L209-R330 VanDerWaalsContact CB-CD 3.49Å; H240-R330 PolarHBondContact O-NE 3.45Å; H240-R330 PolarHBondContact O-NH2 3.46Å; N241-R330 VanDerWaalsContact O-CD 3.23Å; N241-R330 WeakPolarHBondContact O-CD 2.94Å; N241-R330 WeakPolarHBondContact O-CG 2.94Å; N241-R330 PolarHBondContact O-NE 2.81Å; N241-R330 VanDerWaalsContact O-NE 3.09Å; R330-F332 HydrophobicContact CB-CE2 4.42Å; R330-F332 VanDerWaalsContact NH1-CZ 3.35Å
331	E	86.3	Confident	90.8	Very high	162 Å²	162	83.2 Å²	83.2	76%	0.757	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-96.8	117.5	167.2	-64.1	-174.1	174	0	0	108.3
332	F	76.4	Confident	90.8	Very high	96 Å²	96	84.3 Å²	84.3	42%	0.421	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-88	116.2	169.4	-62.1	-80.5	0	0	0	107.4	K205 A206 R330	K205-F332 HydrophobicContact CD-CE1 4.42Å; A206-F332 WeakPolarHBondContact O-CZ 3.22Å; R330-F332 HydrophobicContact CB-CE2 4.42Å; R330-F332 VanDerWaalsContact NH1-CZ 3.35Å
333	M	56.5	Low	90.5	Very high	253 Å²	253	86.5 Å²	86.5	100%	1.246	42%	0.418	S	S	*	.			trans	-71	0	169.8	-70.4	-174.2	-68.3	0	0	111.5

Retrieved 333 of 333 residues in 362.4 ms (Link to these results)

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