A0A096NJB1_PAPAN Loading...

Leucine-rich repeat-containing protein 1

AlphaFold DB , UniProt , Accession A0A096NJB1, Species PAPAN (Papio anubis, Olive baboon), Gene LRRC1, Length 524 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	37.9	Very low	42.1	Very low	244 Å²	244	170.6 Å²	170.6	100%	1.202	84%	0.843	S	S	*	*				0	111.5	0	-159.1	175.3	-87.8	0	0	105.6
2	F	34.3	Very low	43.9	Very low	208 Å²	208	172.3 Å²	172.3	91%	0.912	83%	0.833	S	S	*	*			trans	-67.4	137.5	-162.9	-82.2	-95	0	0	0	112.7	C4	F2-C4 PolarHBondContact O-N 3.39Å
3	H	40.8	Very low	46.9	Very low	185 Å²	185	168.8 Å²	168.8	86%	0.856	81%	0.814	S	S	*	*			trans	-60.3	120.3	168.1	-79.9	-59.4	0	0	0	110.8	I5	H3-I5 PolarHBondContact O-N 2.96Å; H3-I5 VanDerWaalsContact O-N 3.14Å
4	C	35.5	Very low	49.9	Very low	131 Å²	131	159.2 Å²	159.2	89%	0.885	77%	0.77	S	S	*	*			trans	-74.1	97.9	164.8	-70.7	0	0	0	0	109.2	F2	F2-C4 PolarHBondContact O-N 3.39Å
5	I	40.9	Very low	52.8	Low	128 Å²	128	155.1 Å²	155.1	66%	0.656	75%	0.75	S	S	*	*			trans	-71.9	127	161.1	-60.9	166.7	0	0	0	106.8	H3 L7	H3-I5 PolarHBondContact O-N 2.96Å; H3-I5 VanDerWaalsContact O-N 3.14Å; I5-L7 HydrophobicContact CG2-CG 4.34Å; I5-L7 PolarHBondContact O-N 3.14Å
6	P	40.3	Very low	55.6	Low	117 Å²	117	149.1 Å²	149.1	76%	0.76	73%	0.728	S	S	*	*			trans	-73.3	94.6	170.1	10.6	1.3	0	0	0	108.9	W8	P6-W8 PolarHBondContact O-N 3.06Å
7	L	42	Very low	58.1	Low	150 Å²	150	141.6 Å²	141.6	79%	0.785	69%	0.692	S	S	*	*			trans	-77.6	59.1	173	-83.6	162.6	0	0	0	111.6	I5	I5-L7 HydrophobicContact CG2-CG 4.34Å; I5-L7 PolarHBondContact O-N 3.14Å
8	W	45.9	Very low	60.3	Low	238 Å²	238	138.2 Å²	138.2	90%	0.902	68%	0.677	S	S	*	*			trans	-140.3	44.4	172.4	-79.3	71.6	0	0	0	111.5	P6	P6-W8 PolarHBondContact O-N 3.06Å
9	R	44.6	Very low	62.2	Low	237 Å²	237	135.6 Å²	135.6	89%	0.894	66%	0.662	S	S	*	*			trans	-98.6	71.2	160.8	-75.2	-170.1	-178.8	-176.7	0.3	109	N11	R9-N11 VanDerWaalsContact C-N 3.31Å; R9-N11 PolarHBondContact O-N 2.78Å
10	C	47.3	Very low	64	Low	100 Å²	100	134.4 Å²	134.4	68%	0.676	65%	0.65	S	S	*	*			trans	-68.6	99	157.4	-66.6	0	0	0	0	106.2	R12	C10-R12 HydrophobicContact CB-CG 4.33Å; C10-R12 PolarHBondContact O-N 3.07Å
11	N	53.3	Low	65.5	Low	139 Å²	139	135 Å²	135	74%	0.743	65%	0.652	S	S	*	*			trans	-62.2	83.5	157.4	-93.5	0.2	0	0	0	106.1	R9 H13	R9-N11 VanDerWaalsContact C-N 3.31Å; R9-N11 PolarHBondContact O-N 2.78Å; N11-H13 PolarHBondContact O-N 3.33Å
12	R	63.7	Low	68.3	Low	191 Å²	191	126.3 Å²	126.3	72%	0.721	61%	0.614	S	S	*	*			trans	-63.2	120.9	169	-76.9	-174.4	175.7	-178.2	-1.4	105.8	C10 V14 Y34	C10-R12 HydrophobicContact CB-CG 4.33Å; C10-R12 PolarHBondContact O-N 3.07Å; R12-V14 HydrophobicContact CB-CG2 4.34Å; R12-V14 PolarHBondContact O-N 3.2Å; R12-Y34 WeakPolarHBondContact O-CD1 3.46Å
13	H	82.9	Confident	71.3	Confident	127 Å²	127	120.6 Å²	120.6	59%	0.588	60%	0.6	S	S	*	*			trans	-67.1	110.7	171.8	-173.2	76.2	0	0	0	107	N11 E15 S37	N11-H13 PolarHBondContact O-N 3.33Å; H13-E15 IonicContact CD2-OE1 3.83Å; H13-E15 PolarHBondContact CD2-OE1 3.41Å; H13-E15 IonicContact CE1-OE1 3.06Å; H13-E15 VanDerWaalsContact NE2-CG 3.26Å; H13-E15 WeakPolarHBondContact NE2-CG 3.41Å; H13-E15 IonicContact NE2-OE1 2.7Å; H13-E15 PolarHBondContact NE2-OE1 3.23Å; H13-S37 VanDerWaalsContact ND1-CB 3.33Å; H13-S37 WeakPolarHBondContact ND1-CB 3.44Å
14	V	88.8	Confident	73.9	Confident	34 Å²	34	113.3 Å²	113.3	21%	0.206	57%	0.567	C	S	.	*			trans	-120	119.4	178.3	178	0	0	0	0	106.8	R12 S16 I17 Y34 S37 L38	R12-V14 HydrophobicContact CB-CG2 4.34Å; R12-V14 PolarHBondContact O-N 3.2Å; V14-S16 WeakPolarHBondContact CG1-O 3.32Å; V14-I17 HydrophobicContact CG1-CD1 4.21Å; V14-I17 HydrophobicContact CG1-CG1 3.75Å; V14-Y34 HydrophobicContact CB-CD1 3.63Å; V14-Y34 HydrophobicContact CB-CD2 4.41Å; V14-Y34 HydrophobicContact CB-CE1 3.94Å; V14-Y34 HydrophobicContact CB-CG 3.88Å; V14-Y34 HydrophobicContact CG2-CD1 3.63Å; V14-Y34 HydrophobicContact CG2-CE1 3.4Å; V14-Y34 HydrophobicContact CG2-CE2 4.48Å; V14-Y34 HydrophobicContact CG2-CG 4.27Å; V14-S37 PolarHBondContact N-OG 3.23Å; V14-S37 CarbonylContact O-C 3.59Å; V14-S37 VanDerWaalsContact O-C 3.27Å; V14-S37 WeakPolarHBondContact O-CB 3.35Å; V14-S37 PolarHBondContact O-OG 2.96Å; V14-L38 HydrophobicContact CG1-CD1 4.44Å; V14-L38 WeakPolarHBondContact O-CA 3.42Å; V14-L38 PolarHBondContact O-N 3.32Å
15	E	94.1	Very high	76.8	Confident	98 Å²	98	111.1 Å²	111.1	46%	0.458	55%	0.55	S	S	.	.			trans	-99.7	-27.4	-177	-65.4	175.2	169	0	0	112	H13 E39 E40	H13-E15 IonicContact CD2-OE1 3.83Å; H13-E15 PolarHBondContact CD2-OE1 3.41Å; H13-E15 IonicContact CE1-OE1 3.06Å; H13-E15 VanDerWaalsContact NE2-CG 3.26Å; H13-E15 WeakPolarHBondContact NE2-CG 3.41Å; H13-E15 IonicContact NE2-OE1 2.7Å; H13-E15 PolarHBondContact NE2-OE1 3.23Å; E15-E39 CarbonylContact O-C 3.16Å; E15-E39 WeakPolarHBondContact O-CA 3.13Å; E15-E39 PolarHBondContact O-N 2.84Å; E15-E40 PolarHBondContact O-N 2.81Å
16	S	97.1	Very high	79.5	Confident	58 Å²	58	113 Å²	113	41%	0.406	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.7	-178.6	-176.6	0	0	0	0	111.2	V14 E40	V14-S16 WeakPolarHBondContact CG1-O 3.32Å; S16-E40 CarbonylContact C-O 3.13Å; S16-E40 WeakPolarHBondContact CA-O 3.44Å; S16-E40 WeakPolarHBondContact CB-OE2 3.46Å; S16-E40 PolarHBondContact OG-OE2 3.31Å
17	I	97.6	Very high	82.1	Confident	22 Å²	22	107.7 Å²	107.7	11%	0.113	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.8	173.6	-68.2	173.6	0	0	0	108.5	V14 K19 I31 Y34 L38 E40 L41 L42	V14-I17 HydrophobicContact CG1-CD1 4.21Å; V14-I17 HydrophobicContact CG1-CG1 3.75Å; I17-K19 HydrophobicContact CG2-CG 3.9Å; I17-I31 HydrophobicContact CD1-CG1 4.14Å; I17-Y34 HydrophobicContact CD1-CD2 3.68Å; I17-Y34 HydrophobicContact CD1-CE2 4.15Å; I17-L38 HydrophobicContact CB-CD1 4.05Å; I17-L38 HydrophobicContact CD1-CD1 3.66Å; I17-L38 HydrophobicContact CD1-CD2 4.09Å; I17-L38 HydrophobicContact CG1-CD1 3.59Å; I17-E40 PolarHBondContact N-O 3.27Å; I17-L41 HydrophobicContact CB-CD1 3.96Å; I17-L41 HydrophobicContact CG2-CD1 3.91Å; I17-L41 WeakPolarHBondContact O-CA 3.32Å; I17-L42 PolarHBondContact O-N 2.97Å
18	D	97.7	Very high	84.6	Confident	80 Å²	80	101.7 Å²	101.7	43%	0.428	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	171.8	-171.1	-14.3	0	0	0	109.7	R20	D18-R20 WeakPolarHBondContact OD1-CB 3.48Å; D18-R20 VanDerWaalsContact OD1-CG 3.26Å; D18-R20 WeakPolarHBondContact OD1-CG 3.47Å; D18-R20 PolarHBondContact OD1-N 2.97Å; D18-R20 IonicContact OD1-NE 2.63Å; D18-R20 PolarHBondContact OD1-NE 3.11Å; D18-R20 IonicContact OD2-CZ 3.08Å; D18-R20 VanDerWaalsContact OD2-CZ 3.32Å; D18-R20 IonicContact OD2-NE 3.64Å; D18-R20 PolarHBondContact OD2-NE 3.32Å; D18-R20 VanDerWaalsContact OD2-NE 3.12Å; D18-R20 IonicContact OD2-NH2 2.81Å; D18-R20 PolarHBondContact OD2-NH2 3.48Å
19	K	97.2	Very high	86.9	Confident	90 Å²	90	96.1 Å²	96.1	39%	0.391	47%	0.469	S	S	.	.			trans	-133.9	35.8	174.5	-66.6	-70.1	-172.5	175.7	0	110.9	I17 C22 L24 L42 L43 N46	I17-K19 HydrophobicContact CG2-CG 3.9Å; K19-C22 WeakPolarHBondContact O-CB 3.48Å; K19-C22 PolarHBondContact O-SG 2.96Å; K19-L24 HydrophobicContact CB-CD1 3.82Å; K19-L42 CarbonylContact C-O 3.27Å; K19-L42 PolarHBondContact N-O 3.32Å; K19-L43 HydrophobicContact CB-CD2 3.81Å; K19-N46 PolarHBondContact O-ND2 2.75Å
20	R	97.4	Very high	89.2	Confident	110 Å²	110	90.5 Å²	90.5	42%	0.415	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	149.1	173	-63.4	178.9	-73	177.2	-3.4	111.2	D18 C22 L42 D44	D18-R20 WeakPolarHBondContact OD1-CB 3.48Å; D18-R20 VanDerWaalsContact OD1-CG 3.26Å; D18-R20 WeakPolarHBondContact OD1-CG 3.47Å; D18-R20 PolarHBondContact OD1-N 2.97Å; D18-R20 IonicContact OD1-NE 2.63Å; D18-R20 PolarHBondContact OD1-NE 3.11Å; D18-R20 IonicContact OD2-CZ 3.08Å; D18-R20 VanDerWaalsContact OD2-CZ 3.32Å; D18-R20 IonicContact OD2-NE 3.64Å; D18-R20 PolarHBondContact OD2-NE 3.32Å; D18-R20 VanDerWaalsContact OD2-NE 3.12Å; D18-R20 IonicContact OD2-NH2 2.81Å; D18-R20 PolarHBondContact OD2-NH2 3.48Å; R20-C22 PolarHBondContact O-N 3.27Å; R20-C22 VanDerWaalsContact O-N 3.11Å; R20-C22 PolarHBondContact O-SG 2.68Å; R20-L42 HydrophobicContact CG-CB 3.83Å; R20-D44 CarbonylContact C-O 3.23Å; R20-D44 WeakPolarHBondContact CA-O 3.32Å; R20-D44 HydrophobicContact CB-CB 4.45Å; R20-D44 VanDerWaalsContact CD-OD2 3.23Å; R20-D44 WeakPolarHBondContact CD-OD2 3.44Å; R20-D44 HydrophobicContact CG-CB 3.73Å; R20-D44 WeakPolarHBondContact CG-OD2 3.44Å
21	H	96.3	Very high	91.4	Very high	149 Å²	149	86 Å²	86	69%	0.69	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	33	175.9	-53.3	-76.9	0	0	0	114.5	D44 A45	H21-D44 PolarHBondContact N-O 3.36Å; H21-A45 WeakPolarHBondContact CA-O 3.41Å; H21-A45 WeakPolarHBondContact CE1-CB 3.23Å; H21-A45 PolarHBondContact N-O 3.31Å; H21-A45 WeakPolarHBondContact ND1-CB 3.26Å
22	C	96.8	Very high	93.3	Very high	60 Å²	60	81.1 Å²	81.1	41%	0.405	39%	0.393	S	S	.	.	S	Bend	trans	-98.1	3.8	-176.1	-75.6	0	0	0	0	113.3	K19 R20 L24 N46	K19-C22 WeakPolarHBondContact O-CB 3.48Å; K19-C22 PolarHBondContact O-SG 2.96Å; R20-C22 PolarHBondContact O-N 3.27Å; R20-C22 VanDerWaalsContact O-N 3.11Å; R20-C22 PolarHBondContact O-SG 2.68Å; C22-L24 HydrophobicContact CB-CD1 4.22Å; C22-L24 HydrophobicContact CB-CD2 4.15Å; C22-L24 HydrophobicContact CB-CG 3.74Å; C22-L24 PolarHBondContact O-N 3.12Å; C22-N46 WeakPolarHBondContact CA-OD1 3.33Å; C22-N46 PolarHBondContact N-OD1 2.89Å
23	S	96.3	Very high	94.7	Very high	89 Å²	89	80.7 Å²	80.7	62%	0.622	39%	0.392	S	S	*	.			trans	53.3	37.2	-174.4	-52.2	0	0	0	0	112.7	N46	S23-N46 PolarHBondContact N-OD1 3.33Å
24	L	96.8	Very high	95.1	Very high	31 Å²	31	77.6 Å²	77.6	16%	0.162	38%	0.375	C	S	.	.			trans	-72.2	129.1	179.6	-61.9	176.4	0	0	0	110.6	K19 C22 P28 L43 N46 Q47 L48	K19-L24 HydrophobicContact CB-CD1 3.82Å; C22-L24 HydrophobicContact CB-CD1 4.22Å; C22-L24 HydrophobicContact CB-CD2 4.15Å; C22-L24 HydrophobicContact CB-CG 3.74Å; C22-L24 PolarHBondContact O-N 3.12Å; L24-P28 HydrophobicContact CD1-CG 4.04Å; L24-P28 HydrophobicContact CD2-CG 3.98Å; L24-L43 HydrophobicContact CD1-CD2 4.1Å; L24-N46 HydrophobicContact CB-CB 4.08Å; L24-N46 PolarHBondContact N-OD1 2.7Å; L24-Q47 CarbonylContact O-C 3.52Å; L24-Q47 VanDerWaalsContact O-C 3.29Å; L24-Q47 WeakPolarHBondContact O-CA 3.35Å; L24-Q47 PolarHBondContact O-N 2.72Å; L24-L48 HydrophobicContact CB-CD2 4.08Å; L24-L48 PolarHBondContact O-N 2.92Å
25	V	96.9	Very high	95.3	Very high	86 Å²	86	76.9 Å²	76.9	52%	0.521	37%	0.373	S	S	.	.	S	Bend	trans	-94	-23.2	173.9	-174.9	0	0	0	0	111.5	Q47	V25-Q47 HydrophobicContact CG2-CB 4.5Å
26	Y	96.3	Very high	95.1	Very high	167 Å²	167	83 Å²	83	66%	0.655	39%	0.392	S	S	*	.	S	Bend	trans	-141	156.9	176.5	53.9	-92	0	0	0	109.9	P28	Y26-P28 VanDerWaalsContact O-CD 3.32Å; Y26-P28 WeakPolarHBondContact O-CD 3.43Å
27	V	95.9	Very high	95	Very high	5 Å²	5	80.9 Å²	80.9	3%	0.03	38%	0.377	C	S	.	.			trans	-67.1	123.6	175.1	-178	0	0	0	0	109.3	E29 I31 Y32 L43 L48 L51 F55	V27-E29 PolarHBondContact O-N 3.34Å; V27-I31 HydrophobicContact CG1-CD1 3.68Å; V27-Y32 WeakPolarHBondContact CB-OH 3.35Å; V27-Y32 HydrophobicContact CG1-CE1 4.33Å; V27-L43 HydrophobicContact CG1-CD1 4.31Å; V27-L43 HydrophobicContact CG2-CD1 4.15Å; V27-L48 HydrophobicContact CG2-CD1 4.26Å; V27-L48 HydrophobicContact CG2-CD2 4.29Å; V27-L51 HydrophobicContact CG2-CD2 4.14Å; V27-F55 HydrophobicContact CG1-CD2 3.99Å; V27-F55 HydrophobicContact CG1-CE2 4.15Å; V27-F55 HydrophobicContact CG2-CD2 4.09Å; V27-F55 HydrophobicContact CG2-CE2 4.17Å
28	P	94.8	Very high	95	Very high	25 Å²	25	79.9 Å²	79.9	16%	0.162	37%	0.372	C	S	.	.			trans	-61	128.2	-179.2	-27.1	34.3	0	0	0	113.8	L24 Y26 E30 I31	L24-P28 HydrophobicContact CD1-CG 4.04Å; L24-P28 HydrophobicContact CD2-CG 3.98Å; Y26-P28 VanDerWaalsContact O-CD 3.32Å; Y26-P28 WeakPolarHBondContact O-CD 3.43Å; P28-E30 PolarHBondContact O-N 2.75Å; P28-I31 HydrophobicContact CB-CD1 4.29Å; P28-I31 HydrophobicContact CB-CG1 4.47Å; P28-I31 HydrophobicContact CG-CD1 4.29Å; P28-I31 VanDerWaalsContact O-CB 3.32Å; P28-I31 WeakPolarHBondContact O-CB 3.41Å; P28-I31 WeakPolarHBondContact O-CG1 3.45Å; P28-I31 PolarHBondContact O-N 3.33Å
29	E	93.1	Very high	95	Very high	121 Å²	121	79.3 Å²	79.3	57%	0.565	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.9	178.2	-71.7	-67.3	150.3	0	0	114.6	V27 I31 Y32	V27-E29 PolarHBondContact O-N 3.34Å; E29-I31 PolarHBondContact O-N 2.9Å; E29-Y32 HydrophobicContact CB-CD2 4.5Å; E29-Y32 WeakPolarHBondContact O-CD2 3.46Å; E29-Y32 PolarHBondContact O-N 2.89Å; E29-Y32 WeakPolarHBondContact OE2-CD2 3.2Å
30	E	92	Very high	95.1	Very high	119 Å²	119	77.8 Å²	77.8	56%	0.556	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.6	178	-62.3	176.3	-171.8	0	0	112.8	P28 Y32 R33 Y34	P28-E30 PolarHBondContact O-N 2.75Å; E30-Y32 VanDerWaalsContact C-N 3.28Å; E30-Y32 PolarHBondContact O-N 2.92Å; E30-R33 WeakPolarHBondContact O-CB 3.41Å; E30-R33 PolarHBondContact O-N 3.38Å; E30-Y34 WeakPolarHBondContact O-CD2 3.17Å; E30-Y34 WeakPolarHBondContact O-CE2 3.33Å
31	I	94.4	Very high	95.1	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.026	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-61.4	-39.7	178.4	-68	169.4	0	0	0	110.3	I17 V27 P28 E29 R33 Y34 L38 L41 L43 L58	I17-I31 HydrophobicContact CD1-CG1 4.14Å; V27-I31 HydrophobicContact CG1-CD1 3.68Å; P28-I31 HydrophobicContact CB-CD1 4.29Å; P28-I31 HydrophobicContact CB-CG1 4.47Å; P28-I31 HydrophobicContact CG-CD1 4.29Å; P28-I31 VanDerWaalsContact O-CB 3.32Å; P28-I31 WeakPolarHBondContact O-CB 3.41Å; P28-I31 WeakPolarHBondContact O-CG1 3.45Å; P28-I31 PolarHBondContact O-N 3.33Å; E29-I31 PolarHBondContact O-N 2.9Å; I31-R33 PolarHBondContact O-N 2.82Å; I31-R33 VanDerWaalsContact O-N 3.11Å; I31-Y34 PolarHBondContact O-N 3.07Å; I31-L38 HydrophobicContact CG2-CD2 3.77Å; I31-L41 HydrophobicContact CD1-CD1 3.99Å; I31-L41 HydrophobicContact CG2-CD1 4.42Å; I31-L41 HydrophobicContact CG2-CD2 4.07Å; I31-L43 HydrophobicContact CD1-CD2 4.31Å; I31-L58 HydrophobicContact CG2-CD1 3.98Å; I31-L58 HydrophobicContact CG2-CD2 4.4Å
32	Y	93.4	Very high	95.2	Very high	36 Å²	36	66.1 Å²	66.1	14%	0.141	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-65.9	-17.6	-177.7	-49.8	-48.7	0	0	0	113.3	V27 E29 E30 Y34 A35 P52 Q54 F55	V27-Y32 WeakPolarHBondContact CB-OH 3.35Å; V27-Y32 HydrophobicContact CG1-CE1 4.33Å; E29-Y32 HydrophobicContact CB-CD2 4.5Å; E29-Y32 WeakPolarHBondContact O-CD2 3.46Å; E29-Y32 PolarHBondContact O-N 2.89Å; E29-Y32 WeakPolarHBondContact OE2-CD2 3.2Å; E30-Y32 VanDerWaalsContact C-N 3.28Å; E30-Y32 PolarHBondContact O-N 2.92Å; Y32-Y34 PolarHBondContact O-N 2.91Å; Y32-A35 WeakPolarHBondContact O-CB 3.26Å; Y32-A35 PolarHBondContact O-N 3.01Å; Y32-P52 WeakPolarHBondContact OH-CG 3.43Å; Y32-Q54 HydrophobicContact CD1-CB 4.46Å; Y32-Q54 HydrophobicContact CE1-CB 4.4Å; Y32-F55 HydrophobicContact CE1-CB 4.39Å; Y32-F55 HydrophobicContact CE1-CD2 4.45Å
33	R	92.2	Very high	95.3	Very high	183 Å²	183	63.3 Å²	63.3	69%	0.691	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-64.8	-22.9	172.7	-59.7	-178.4	-179.5	173.3	3.9	112.4	E30 I31	E30-R33 WeakPolarHBondContact O-CB 3.41Å; E30-R33 PolarHBondContact O-N 3.38Å; I31-R33 PolarHBondContact O-N 2.82Å; I31-R33 VanDerWaalsContact O-N 3.11Å
34	Y	93.1	Very high	95.4	Very high	61 Å²	61	59.8 Å²	59.8	24%	0.239	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-103.3	14.9	-177.7	-48.2	-67.3	0	0	0	112.9	R12 V14 I17 E30 I31 Y32 R36 S37 L38	R12-Y34 WeakPolarHBondContact O-CD1 3.46Å; V14-Y34 HydrophobicContact CB-CD1 3.63Å; V14-Y34 HydrophobicContact CB-CD2 4.41Å; V14-Y34 HydrophobicContact CB-CE1 3.94Å; V14-Y34 HydrophobicContact CB-CG 3.88Å; V14-Y34 HydrophobicContact CG2-CD1 3.63Å; V14-Y34 HydrophobicContact CG2-CE1 3.4Å; V14-Y34 HydrophobicContact CG2-CE2 4.48Å; V14-Y34 HydrophobicContact CG2-CG 4.27Å; I17-Y34 HydrophobicContact CD1-CD2 3.68Å; I17-Y34 HydrophobicContact CD1-CE2 4.15Å; E30-Y34 WeakPolarHBondContact O-CD2 3.17Å; E30-Y34 WeakPolarHBondContact O-CE2 3.33Å; I31-Y34 PolarHBondContact O-N 3.07Å; Y32-Y34 PolarHBondContact O-N 2.91Å; Y34-R36 PolarHBondContact O-N 3.11Å; Y34-S37 PolarHBondContact O-N 3.02Å; Y34-S37 PolarHBondContact O-OG 3.04Å; Y34-L38 WeakPolarHBondContact O-CB 3.2Å; Y34-L38 PolarHBondContact O-N 2.88Å
35	A	91.1	Very high	95.4	Very high	20 Å²	20	59.5 Å²	59.5	17%	0.165	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.5	-175.9	0	0	0	0	0	115.7	Y32 L58	Y32-A35 WeakPolarHBondContact O-CB 3.26Å; Y32-A35 PolarHBondContact O-N 3.01Å; A35-L58 HydrophobicContact CB-CD2 3.78Å
36	R	91.2	Very high	95.4	Very high	225 Å²	225	56 Å²	56	85%	0.849	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-9.8	178.4	-62.5	-174.8	-178.4	-176.9	-0.2	114.6	Y34	Y34-R36 PolarHBondContact O-N 3.11Å
37	S	94.9	Very high	95.5	Very high	14 Å²	14	52.2 Å²	52.2	10%	0.098	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-21.8	-174.5	61.7	0	0	0	0	114.4	H13 V14 Y34 E39	H13-S37 VanDerWaalsContact ND1-CB 3.33Å; H13-S37 WeakPolarHBondContact ND1-CB 3.44Å; V14-S37 PolarHBondContact N-OG 3.23Å; V14-S37 CarbonylContact O-C 3.59Å; V14-S37 VanDerWaalsContact O-C 3.27Å; V14-S37 WeakPolarHBondContact O-CB 3.35Å; V14-S37 PolarHBondContact O-OG 2.96Å; Y34-S37 PolarHBondContact O-N 3.02Å; Y34-S37 PolarHBondContact O-OG 3.04Å; S37-E39 PolarHBondContact O-N 3.44Å
38	L	97.4	Very high	95.6	Very high	1 Å²	1	52 Å²	52	1%	0.005	24%	0.235	C	C	.	.			trans	-70.4	120.4	-172.7	-168.1	67.3	0	0	0	111.4	V14 I17 I31 Y34 E40 L41 L58 K60 L61	V14-L38 HydrophobicContact CG1-CD1 4.44Å; V14-L38 WeakPolarHBondContact O-CA 3.42Å; V14-L38 PolarHBondContact O-N 3.32Å; I17-L38 HydrophobicContact CB-CD1 4.05Å; I17-L38 HydrophobicContact CD1-CD1 3.66Å; I17-L38 HydrophobicContact CD1-CD2 4.09Å; I17-L38 HydrophobicContact CG1-CD1 3.59Å; I31-L38 HydrophobicContact CG2-CD2 3.77Å; Y34-L38 WeakPolarHBondContact O-CB 3.2Å; Y34-L38 PolarHBondContact O-N 2.88Å; L38-E40 WeakPolarHBondContact CD1-O 3.32Å; L38-L41 HydrophobicContact CD2-CB 4.15Å; L38-L41 HydrophobicContact CD2-CD1 4.4Å; L38-L41 HydrophobicContact CD2-CD2 4.24Å; L38-L58 HydrophobicContact CD2-CD1 4.27Å; L38-L58 HydrophobicContact CD2-CD2 4.36Å; L38-K60 CarbonylContact O-C 3.59Å; L38-K60 VanDerWaalsContact O-CB 3.31Å; L38-K60 WeakPolarHBondContact O-CB 3.48Å; L38-L61 HydrophobicContact CD2-CD2 4.26Å; L38-L61 HydrophobicContact CG-CD2 4.06Å; L38-L61 PolarHBondContact O-N 3.23Å
39	E	97.9	Very high	95.6	Very high	68 Å²	68	57.4 Å²	57.4	32%	0.318	25%	0.252	S	S	.	.			trans	-108.6	-28.9	178.7	-59.4	-165.5	-179.9	0	0	112.4	E15 S37 K60 R62 K63	E15-E39 CarbonylContact O-C 3.16Å; E15-E39 WeakPolarHBondContact O-CA 3.13Å; E15-E39 PolarHBondContact O-N 2.84Å; S37-E39 PolarHBondContact O-N 3.44Å; E39-K60 WeakPolarHBondContact CA-O 3.34Å; E39-R62 HydrophobicContact CB-CG 4.39Å; E39-R62 WeakPolarHBondContact O-CA 3.33Å; E39-R62 PolarHBondContact O-N 3.36Å; E39-R62 WeakPolarHBondContact OE2-CD 3.28Å; E39-R62 IonicContact OE2-NH1 2.77Å; E39-K63 PolarHBondContact O-N 3.13Å
40	E	98.5	Very high	95.7	Very high	58 Å²	58	58.9 Å²	58.9	27%	0.271	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.3	180	178.8	178.1	-154.9	0	0	110.6	E15 S16 I17 L38 L42 K63	E15-E40 PolarHBondContact O-N 2.81Å; S16-E40 CarbonylContact C-O 3.13Å; S16-E40 WeakPolarHBondContact CA-O 3.44Å; S16-E40 WeakPolarHBondContact CB-OE2 3.46Å; S16-E40 PolarHBondContact OG-OE2 3.31Å; I17-E40 PolarHBondContact N-O 3.27Å; L38-E40 WeakPolarHBondContact CD1-O 3.32Å; E40-L42 HydrophobicContact CG-CD2 4.2Å; E40-L42 HydrophobicContact CG-CG 4.15Å; E40-K63 WeakPolarHBondContact CA-O 3.49Å; E40-K63 HydrophobicContact CB-CB 4.31Å; E40-K63 HydrophobicContact CG-CB 4.05Å; E40-K63 HydrophobicContact CG-CD 4.17Å; E40-K63 HydrophobicContact CG-CG 4.13Å; E40-K63 WeakPolarHBondContact OE1-CD 3.07Å
41	L	98.4	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	113.8	177.1	178.8	57.3	0	0	0	109.8	I17 I31 L38 L43 F55 L58 L61 K63 L64 G65	I17-L41 HydrophobicContact CB-CD1 3.96Å; I17-L41 HydrophobicContact CG2-CD1 3.91Å; I17-L41 WeakPolarHBondContact O-CA 3.32Å; I31-L41 HydrophobicContact CD1-CD1 3.99Å; I31-L41 HydrophobicContact CG2-CD1 4.42Å; I31-L41 HydrophobicContact CG2-CD2 4.07Å; L38-L41 HydrophobicContact CD2-CB 4.15Å; L38-L41 HydrophobicContact CD2-CD1 4.4Å; L38-L41 HydrophobicContact CD2-CD2 4.24Å; L41-L43 HydrophobicContact CD1-CD1 4.24Å; L41-L43 HydrophobicContact CD1-CD2 3.91Å; L41-L43 HydrophobicContact CD1-CG 3.89Å; L41-L43 HydrophobicContact CD2-CD1 3.99Å; L41-L43 HydrophobicContact CD2-CG 4.43Å; L41-L43 HydrophobicContact CG-CD1 4.03Å; L41-L43 HydrophobicContact CG-CD2 4.48Å; L41-L43 HydrophobicContact CG-CG 3.91Å; L41-F55 HydrophobicContact CD2-CE2 3.62Å; L41-F55 HydrophobicContact CD2-CZ 3.97Å; L41-L58 HydrophobicContact CD2-CD1 3.84Å; L41-L61 HydrophobicContact CB-CD2 3.69Å; L41-K63 PolarHBondContact N-O 3.47Å; L41-L64 HydrophobicContact CB-CD1 4.27Å; L41-L64 HydrophobicContact CD2-CD1 4.37Å; L41-L64 HydrophobicContact CG-CD1 4.31Å; L41-L64 WeakPolarHBondContact O-CA 3.47Å; L41-G65 PolarHBondContact O-N 2.84Å
42	L	98.5	Very high	95.9	Very high	15 Å²	15	55.9 Å²	55.9	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.3	179.1	-51.5	179.3	0	0	0	109.4	I17 K19 R20 E40 K63	I17-L42 PolarHBondContact O-N 2.97Å; K19-L42 CarbonylContact C-O 3.27Å; K19-L42 PolarHBondContact N-O 3.32Å; R20-L42 HydrophobicContact CG-CB 3.83Å; E40-L42 HydrophobicContact CG-CD2 4.2Å; E40-L42 HydrophobicContact CG-CG 4.15Å; L42-K63 HydrophobicContact CD2-CD 4.41Å; L42-K63 HydrophobicContact CD2-CG 4.21Å
43	L	98.2	Very high	95.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.277	C	S	.	.			trans	-124.4	21.2	-177.2	-63.9	-179.5	0	0	0	111.5	K19 L24 V27 I31 L41 N46 L48 F55 G65 L66 N69	K19-L43 HydrophobicContact CB-CD2 3.81Å; L24-L43 HydrophobicContact CD1-CD2 4.1Å; V27-L43 HydrophobicContact CG1-CD1 4.31Å; V27-L43 HydrophobicContact CG2-CD1 4.15Å; I31-L43 HydrophobicContact CD1-CD2 4.31Å; L41-L43 HydrophobicContact CD1-CD1 4.24Å; L41-L43 HydrophobicContact CD1-CD2 3.91Å; L41-L43 HydrophobicContact CD1-CG 3.89Å; L41-L43 HydrophobicContact CD2-CD1 3.99Å; L41-L43 HydrophobicContact CD2-CG 4.43Å; L41-L43 HydrophobicContact CG-CD1 4.03Å; L41-L43 HydrophobicContact CG-CD2 4.48Å; L41-L43 HydrophobicContact CG-CG 3.91Å; L43-N46 VanDerWaalsContact C-ND2 3.34Å; L43-N46 PolarHBondContact O-ND2 2.86Å; L43-L48 HydrophobicContact CB-CD1 3.95Å; L43-L48 HydrophobicContact CD1-CD1 3.98Å; L43-F55 HydrophobicContact CD1-CE2 4.08Å; L43-G65 WeakPolarHBondContact CA-O 2.98Å; L43-G65 PolarHBondContact N-O 2.94Å; L43-L66 HydrophobicContact CB-CD2 3.87Å; L43-L66 HydrophobicContact CD1-CD2 3.99Å; L43-L66 HydrophobicContact CG-CD2 4.47Å; L43-N69 PolarHBondContact O-ND2 3.28Å
44	D	97.8	Very high	95.9	Very high	16 Å²	16	57.5 Å²	57.5	9%	0.086	27%	0.266	C	S	.	.			trans	-61.7	152.9	-177.7	-46.5	-85.3	0	0	0	113.2	R20 H21 N46 G65 L66 S67	R20-D44 CarbonylContact C-O 3.23Å; R20-D44 WeakPolarHBondContact CA-O 3.32Å; R20-D44 HydrophobicContact CB-CB 4.45Å; R20-D44 VanDerWaalsContact CD-OD2 3.23Å; R20-D44 WeakPolarHBondContact CD-OD2 3.44Å; R20-D44 HydrophobicContact CG-CB 3.73Å; R20-D44 WeakPolarHBondContact CG-OD2 3.44Å; H21-D44 PolarHBondContact N-O 3.36Å; D44-N46 PolarHBondContact O-N 3.04Å; D44-N46 PolarHBondContact O-ND2 2.98Å; D44-G65 VanDerWaalsContact OD1-C 3.25Å; D44-G65 WeakPolarHBondContact OD1-CA 3.47Å; D44-L66 PolarHBondContact OD1-N 3.45Å; D44-S67 CarbonylContact C-O 3.55Å; D44-S67 WeakPolarHBondContact CA-O 3.44Å; D44-S67 VanDerWaalsContact CB-OG 3.27Å; D44-S67 WeakPolarHBondContact CB-OG 3.4Å; D44-S67 VanDerWaalsContact CG-OG 3.3Å; D44-S67 WeakPolarHBondContact OD1-CB 3.47Å; D44-S67 PolarHBondContact OD1-N 3.06Å; D44-S67 PolarHBondContact OD1-OG 3.25Å
45	A	97.3	Very high	96	Very high	24 Å²	24	54.6 Å²	54.6	20%	0.198	25%	0.254	C	S	.	.	S	Bend	trans	53.9	55.7	176	0	0	0	0	0	113	H21 S67 D68	H21-A45 WeakPolarHBondContact CA-O 3.41Å; H21-A45 WeakPolarHBondContact CE1-CB 3.23Å; H21-A45 PolarHBondContact N-O 3.31Å; H21-A45 WeakPolarHBondContact ND1-CB 3.26Å; A45-S67 PolarHBondContact N-O 2.98Å; A45-D68 CarbonylContact C-O 3.51Å; A45-D68 WeakPolarHBondContact CA-O 3.31Å; A45-D68 HydrophobicContact CB-CB 4.16Å; A45-D68 PolarHBondContact N-O 2.77Å
46	N	97.8	Very high	96.3	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.064	25%	0.247	C	C	.	.	S	Bend	trans	-126.6	-162.2	176.4	-77.9	-63.2	0	0	0	109.7	K19 C22 S23 L24 L43 D44 L48 D68 N69	K19-N46 PolarHBondContact O-ND2 2.75Å; C22-N46 WeakPolarHBondContact CA-OD1 3.33Å; C22-N46 PolarHBondContact N-OD1 2.89Å; S23-N46 PolarHBondContact N-OD1 3.33Å; L24-N46 HydrophobicContact CB-CB 4.08Å; L24-N46 PolarHBondContact N-OD1 2.7Å; L43-N46 VanDerWaalsContact C-ND2 3.34Å; L43-N46 PolarHBondContact O-ND2 2.86Å; D44-N46 PolarHBondContact O-N 3.04Å; D44-N46 PolarHBondContact O-ND2 2.98Å; N46-L48 HydrophobicContact CB-CG 4.21Å; N46-D68 PolarHBondContact N-O 3.13Å; N46-D68 VanDerWaalsContact N-O 3.11Å; N46-N69 WeakPolarHBondContact CA-OD1 3.33Å; N46-N69 WeakPolarHBondContact CB-OD1 3.41Å; N46-N69 PolarHBondContact O-OD1 2.93Å
47	Q	97.6	Very high	96.5	Very high	89 Å²	89	48.7 Å²	48.7	42%	0.416	23%	0.233	S	C	.	.			trans	-125.2	34.2	-178.4	-64.6	171	-13.1	0	0	110.3	L24 V25 R49 N69	L24-Q47 CarbonylContact O-C 3.52Å; L24-Q47 VanDerWaalsContact O-C 3.29Å; L24-Q47 WeakPolarHBondContact O-CA 3.35Å; L24-Q47 PolarHBondContact O-N 2.72Å; V25-Q47 HydrophobicContact CG2-CB 4.5Å; Q47-R49 PolarHBondContact O-N 3.3Å; Q47-N69 PolarHBondContact N-OD1 2.78Å
48	L	97.7	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.			trans	-71.6	126.1	-178.4	-59.2	177.5	0	0	0	109.7	L24 V27 L43 N46 L66 N69 E70 I71	L24-L48 HydrophobicContact CB-CD2 4.08Å; L24-L48 PolarHBondContact O-N 2.92Å; V27-L48 HydrophobicContact CG2-CD1 4.26Å; V27-L48 HydrophobicContact CG2-CD2 4.29Å; L43-L48 HydrophobicContact CB-CD1 3.95Å; L43-L48 HydrophobicContact CD1-CD1 3.98Å; N46-L48 HydrophobicContact CB-CG 4.21Å; L48-L66 HydrophobicContact CD1-CD2 4.1Å; L48-N69 HydrophobicContact CB-CB 4.34Å; L48-N69 VanDerWaalsContact CB-OD1 3.27Å; L48-N69 WeakPolarHBondContact CB-OD1 3.41Å; L48-N69 VanDerWaalsContact CG-OD1 3.28Å; L48-N69 WeakPolarHBondContact CG-OD1 3.34Å; L48-N69 PolarHBondContact N-OD1 2.94Å; L48-E70 CarbonylContact O-C 3.56Å; L48-E70 VanDerWaalsContact O-CA 3.3Å; L48-E70 WeakPolarHBondContact O-CA 3.4Å; L48-E70 PolarHBondContact O-N 3.17Å; L48-I71 HydrophobicContact CB-CG1 4.29Å; L48-I71 WeakPolarHBondContact O-CG1 3.45Å; L48-I71 PolarHBondContact O-N 2.65Å
49	R	96.1	Very high	96.5	Very high	138 Å²	138	51.3 Å²	51.3	52%	0.521	25%	0.248	S	C	.	.			trans	-100.4	-31.8	178.7	-68.2	-179.9	178.4	-178.5	-1.4	114.3	Q47 E70 I71 Q72	Q47-R49 PolarHBondContact O-N 3.3Å; R49-E70 WeakPolarHBondContact CA-O 3.47Å; R49-E70 HydrophobicContact CG-CB 3.84Å; R49-E70 IonicContact CZ-OE2 2.68Å; R49-E70 IonicContact NE-OE2 3.33Å; R49-E70 PolarHBondContact NE-OE2 3.29Å; R49-E70 IonicContact NH2-OE2 3.85Å; R49-E70 PolarHBondContact NH2-OE2 2.93Å; R49-I71 WeakPolarHBondContact O-CA 3.38Å; R49-Q72 PolarHBondContact O-N 2.97Å; R49-Q72 VanDerWaalsContact O-N 3.13Å
50	E	95.1	Very high	96.4	Very high	152 Å²	152	52 Å²	52	71%	0.71	25%	0.25	S	S	*	.			trans	-142	151	-176.3	63	-179.3	-167.5	0	0	111
51	L	95.4	Very high	96.4	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.094	24%	0.237	C	C	.	.			trans	-107.4	115.1	171.8	-60.5	175.9	0	0	0	107.8	V27 F55 F56 L66 I71	V27-L51 HydrophobicContact CG2-CD2 4.14Å; L51-F55 HydrophobicContact CB-CD1 4.18Å; L51-F55 HydrophobicContact CB-CG 4.39Å; L51-F55 HydrophobicContact CD1-CD1 4.21Å; L51-F55 HydrophobicContact CD1-CE1 4.02Å; L51-F55 HydrophobicContact CD2-CD1 4.3Å; L51-F55 HydrophobicContact CD2-CD2 4.46Å; L51-F55 HydrophobicContact CD2-CE1 4.15Å; L51-F55 HydrophobicContact CD2-CE2 4.3Å; L51-F55 HydrophobicContact CD2-CG 4.45Å; L51-F55 HydrophobicContact CD2-CZ 4.14Å; L51-F55 HydrophobicContact CG-CD1 4.47Å; L51-F56 HydrophobicContact CB-CE2 3.92Å; L51-F56 HydrophobicContact CB-CZ 3.79Å; L51-F56 HydrophobicContact CD1-CZ 4.04Å; L51-L66 HydrophobicContact CD1-CD1 3.87Å; L51-L66 HydrophobicContact CD2-CD1 4.42Å; L51-L66 HydrophobicContact CD2-CD2 4.12Å; L51-I71 HydrophobicContact CD2-CD1 4.38Å; L51-I71 HydrophobicContact CG-CD1 4.47Å
52	P	93.8	Very high	96.4	Very high	44 Å²	44	55.1 Å²	55.1	29%	0.286	26%	0.259	S	S	.	.			trans	-71.1	156.5	-176.8	28.8	-35.3	0	0	0	111.6	Y32 Q54 F55	Y32-P52 WeakPolarHBondContact OH-CG 3.43Å; P52-Q54 PolarHBondContact O-N 2.95Å; P52-F55 HydrophobicContact CG-CB 4.32Å; P52-F55 WeakPolarHBondContact O-CA 3.22Å; P52-F55 WeakPolarHBondContact O-CB 3.27Å; P52-F55 PolarHBondContact O-N 2.86Å
53	E	92.1	Very high	96.4	Very high	157 Å²	157	58 Å²	58	73%	0.734	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-52.3	-35.7	-178.2	-68.3	-178.6	179.6	0	0	113.9	F55 F56	E53-F55 PolarHBondContact O-N 3.34Å; E53-F56 PolarHBondContact O-N 3.5Å; E53-F56 VanDerWaalsContact O-N 3.15Å
54	Q	93.9	Very high	96.4	Very high	95 Å²	95	58.1 Å²	58.1	44%	0.444	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.5	-26.1	178.5	-66.3	161.2	5	0	0	112.6	Y32 P52 F56 Q57	Y32-Q54 HydrophobicContact CD1-CB 4.46Å; Y32-Q54 HydrophobicContact CE1-CB 4.4Å; P52-Q54 PolarHBondContact O-N 2.95Å; Q54-F56 PolarHBondContact O-N 3.02Å; Q54-Q57 VanDerWaalsContact O-CB 3.32Å; Q54-Q57 WeakPolarHBondContact O-CB 3.44Å; Q54-Q57 PolarHBondContact O-N 3.23Å; Q54-Q57 VanDerWaalsContact O-N 3.13Å
55	F	96.3	Very high	96.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58	-39.2	174.1	-171.6	-99.1	0	0	0	111.9	V27 Y32 L41 L43 L51 P52 E53 Q57 L58 L64 F81	V27-F55 HydrophobicContact CG1-CD2 3.99Å; V27-F55 HydrophobicContact CG1-CE2 4.15Å; V27-F55 HydrophobicContact CG2-CD2 4.09Å; V27-F55 HydrophobicContact CG2-CE2 4.17Å; Y32-F55 HydrophobicContact CE1-CB 4.39Å; Y32-F55 HydrophobicContact CE1-CD2 4.45Å; L41-F55 HydrophobicContact CD2-CE2 3.62Å; L41-F55 HydrophobicContact CD2-CZ 3.97Å; L43-F55 HydrophobicContact CD1-CE2 4.08Å; L51-F55 HydrophobicContact CB-CD1 4.18Å; L51-F55 HydrophobicContact CB-CG 4.39Å; L51-F55 HydrophobicContact CD1-CD1 4.21Å; L51-F55 HydrophobicContact CD1-CE1 4.02Å; L51-F55 HydrophobicContact CD2-CD1 4.3Å; L51-F55 HydrophobicContact CD2-CD2 4.46Å; L51-F55 HydrophobicContact CD2-CE1 4.15Å; L51-F55 HydrophobicContact CD2-CE2 4.3Å; L51-F55 HydrophobicContact CD2-CG 4.45Å; L51-F55 HydrophobicContact CD2-CZ 4.14Å; L51-F55 HydrophobicContact CG-CD1 4.47Å; P52-F55 HydrophobicContact CG-CB 4.32Å; P52-F55 WeakPolarHBondContact O-CA 3.22Å; P52-F55 WeakPolarHBondContact O-CB 3.27Å; P52-F55 PolarHBondContact O-N 2.86Å; E53-F55 PolarHBondContact O-N 3.34Å; F55-Q57 PolarHBondContact O-N 2.82Å; F55-Q57 VanDerWaalsContact O-N 3.11Å; F55-L58 HydrophobicContact CD2-CD1 4.13Å; F55-L58 HydrophobicContact CE2-CD1 4.21Å; F55-L58 WeakPolarHBondContact O-CB 3.45Å; F55-L58 WeakPolarHBondContact O-CG 3.41Å; F55-L58 PolarHBondContact O-N 2.79Å; F55-L64 HydrophobicContact CE1-CD1 4.41Å; F55-L64 HydrophobicContact CE1-CD2 3.95Å; F55-L64 HydrophobicContact CZ-CD1 3.78Å; F55-L64 HydrophobicContact CZ-CD2 4.17Å; F55-F81 HydrophobicContact CD1-CE2 4.23Å; F55-F81 AromaticContact CD1-CZ 3.82Å; F55-F81 HydrophobicContact CD1-CZ 3.82Å; F55-F81 AromaticContact CE1-CE2 3.94Å; F55-F81 HydrophobicContact CE1-CE2 3.94Å; F55-F81 AromaticContact CE1-CZ 3.85Å; F55-F81 HydrophobicContact CE1-CZ 3.85Å; F55-F81 WeakPolarHBondContact O-CZ 2.88Å
56	F	96.3	Very high	96.5	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-78.1	7.8	-178.9	-56.7	-80.5	0	0	0	113.5	L51 E53 Q54 P75 E77 I78 N80 F81	L51-F56 HydrophobicContact CB-CE2 3.92Å; L51-F56 HydrophobicContact CB-CZ 3.79Å; L51-F56 HydrophobicContact CD1-CZ 4.04Å; E53-F56 PolarHBondContact O-N 3.5Å; E53-F56 VanDerWaalsContact O-N 3.15Å; Q54-F56 PolarHBondContact O-N 3.02Å; F56-P75 HydrophobicContact CD2-CG 4.35Å; F56-P75 HydrophobicContact CE1-CG 4.08Å; F56-P75 HydrophobicContact CE2-CG 3.4Å; F56-P75 HydrophobicContact CZ-CG 3.24Å; F56-E77 HydrophobicContact CB-CB 3.64Å; F56-E77 HydrophobicContact CD1-CB 3.96Å; F56-E77 WeakPolarHBondContact CD1-O 3.41Å; F56-E77 HydrophobicContact CD2-CB 3.8Å; F56-E77 HydrophobicContact CE2-CB 4.5Å; F56-E77 HydrophobicContact CG-CB 3.5Å; F56-E77 VanDerWaalsContact CG-CB 3.5Å; F56-I78 HydrophobicContact CE1-CB 4.34Å; F56-I78 HydrophobicContact CE1-CD1 4.24Å; F56-N80 WeakPolarHBondContact O-CB 3.21Å; F56-N80 PolarHBondContact O-ND2 2.99Å; F56-N80 VanDerWaalsContact O-ND2 3.13Å; F56-F81 AromaticContact CD1-CE2 3.87Å; F56-F81 HydrophobicContact CD1-CE2 3.87Å; F56-F81 AromaticContact CD1-CZ 3.84Å; F56-F81 HydrophobicContact CD1-CZ 3.84Å; F56-F81 HydrophobicContact CE1-CE2 4.17Å; F56-F81 HydrophobicContact CE1-CZ 4.46Å; F56-F81 HydrophobicContact CG-CZ 4.46Å
57	Q	95.3	Very high	96.5	Very high	119 Å²	119	56.6 Å²	56.6	56%	0.556	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-91.6	-4.7	170.3	-56.6	-179.6	6.7	0	0	112.6	Q54 F55 V59	Q54-Q57 VanDerWaalsContact O-CB 3.32Å; Q54-Q57 WeakPolarHBondContact O-CB 3.44Å; Q54-Q57 PolarHBondContact O-N 3.23Å; Q54-Q57 VanDerWaalsContact O-N 3.13Å; F55-Q57 PolarHBondContact O-N 2.82Å; F55-Q57 VanDerWaalsContact O-N 3.11Å; Q57-V59 PolarHBondContact O-N 3.15Å
58	L	96.3	Very high	96.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.262	C	S	.	.			trans	-75	55.6	174.9	-55.7	174.3	0	0	0	111.3	I31 A35 L38 L41 F55 K60 L61 F81	I31-L58 HydrophobicContact CG2-CD1 3.98Å; I31-L58 HydrophobicContact CG2-CD2 4.4Å; A35-L58 HydrophobicContact CB-CD2 3.78Å; L38-L58 HydrophobicContact CD2-CD1 4.27Å; L38-L58 HydrophobicContact CD2-CD2 4.36Å; L41-L58 HydrophobicContact CD2-CD1 3.84Å; F55-L58 HydrophobicContact CD2-CD1 4.13Å; F55-L58 HydrophobicContact CE2-CD1 4.21Å; F55-L58 WeakPolarHBondContact O-CB 3.45Å; F55-L58 WeakPolarHBondContact O-CG 3.41Å; F55-L58 PolarHBondContact O-N 2.79Å; L58-K60 PolarHBondContact O-N 3.11Å; L58-L61 HydrophobicContact CB-CD1 3.6Å; L58-L61 HydrophobicContact CB-CG 3.81Å; L58-L61 HydrophobicContact CD1-CD1 3.94Å; L58-L61 HydrophobicContact CG-CD1 4.43Å; L58-L61 WeakPolarHBondContact O-CB 3.2Å; L58-L61 WeakPolarHBondContact O-CG 3.27Å; L58-L61 PolarHBondContact O-N 3.42Å; L58-F81 HydrophobicContact CB-CE1 4.02Å
59	V	95.4	Very high	96.4	Very high	71 Å²	71	56.5 Å²	56.5	43%	0.43	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-7.4	-169.1	-65.3	0	0	0	0	115.2	Q57	Q57-V59 PolarHBondContact O-N 3.15Å
60	K	96.8	Very high	96.5	Very high	83 Å²	83	52.7 Å²	52.7	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.5	176	-69.4	-59.2	-170.8	177.7	0	113.4	L38 E39 L58 R62	L38-K60 CarbonylContact O-C 3.59Å; L38-K60 VanDerWaalsContact O-CB 3.31Å; L38-K60 WeakPolarHBondContact O-CB 3.48Å; E39-K60 WeakPolarHBondContact CA-O 3.34Å; L58-K60 PolarHBondContact O-N 3.11Å; K60-R62 PolarHBondContact O-N 3.13Å
61	L	98.1	Very high	96.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.			trans	-58.4	129	178.1	-75.3	175.5	0	0	0	111.3	L38 L41 L58 F81 Q83 L84	L38-L61 HydrophobicContact CD2-CD2 4.26Å; L38-L61 HydrophobicContact CG-CD2 4.06Å; L38-L61 PolarHBondContact O-N 3.23Å; L41-L61 HydrophobicContact CB-CD2 3.69Å; L58-L61 HydrophobicContact CB-CD1 3.6Å; L58-L61 HydrophobicContact CB-CG 3.81Å; L58-L61 HydrophobicContact CD1-CD1 3.94Å; L58-L61 HydrophobicContact CG-CD1 4.43Å; L58-L61 WeakPolarHBondContact O-CB 3.2Å; L58-L61 WeakPolarHBondContact O-CG 3.27Å; L58-L61 PolarHBondContact O-N 3.42Å; L61-F81 HydrophobicContact CD1-CD1 4.4Å; L61-F81 HydrophobicContact CD1-CE1 3.94Å; L61-F81 HydrophobicContact CD1-CE2 4.31Å; L61-F81 HydrophobicContact CD1-CZ 3.89Å; L61-Q83 CarbonylContact O-C 3.5Å; L61-L84 HydrophobicContact CB-CD1 4.24Å; L61-L84 WeakPolarHBondContact O-CA 3.15Å; L61-L84 PolarHBondContact O-N 2.95Å
62	R	98.4	Very high	96.6	Very high	122 Å²	122	49.7 Å²	49.7	46%	0.46	24%	0.239	S	C	.	.	S	Bend	trans	-112.4	-29.7	173	-63.4	-173.9	62	-126	-8.9	111.1	E39 K60 Q83 V85 E86	E39-R62 HydrophobicContact CB-CG 4.39Å; E39-R62 WeakPolarHBondContact O-CA 3.33Å; E39-R62 PolarHBondContact O-N 3.36Å; E39-R62 WeakPolarHBondContact OE2-CD 3.28Å; E39-R62 IonicContact OE2-NH1 2.77Å; K60-R62 PolarHBondContact O-N 3.13Å; R62-Q83 HydrophobicContact CG-CB 4.49Å; R62-V85 HydrophobicContact CB-CG2 4.38Å; R62-V85 WeakPolarHBondContact O-CA 3.04Å; R62-V85 WeakPolarHBondContact O-CB 3.37Å; R62-V85 PolarHBondContact O-N 3.01Å; R62-E86 PolarHBondContact O-N 3.16Å
63	K	98.7	Very high	96.7	Very high	76 Å²	76	54.4 Å²	54.4	33%	0.33	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.2	177.1	178	165	-177.6	145.3	0	110.8	E39 E40 L41 L42 E86	E39-K63 PolarHBondContact O-N 3.13Å; E40-K63 WeakPolarHBondContact CA-O 3.49Å; E40-K63 HydrophobicContact CB-CB 4.31Å; E40-K63 HydrophobicContact CG-CB 4.05Å; E40-K63 HydrophobicContact CG-CD 4.17Å; E40-K63 HydrophobicContact CG-CG 4.13Å; E40-K63 WeakPolarHBondContact OE1-CD 3.07Å; L41-K63 PolarHBondContact N-O 3.47Å; L42-K63 HydrophobicContact CD2-CD 4.41Å; L42-K63 HydrophobicContact CD2-CG 4.21Å; K63-E86 WeakPolarHBondContact CA-O 3.39Å; K63-E86 HydrophobicContact CB-CB 4.37Å; K63-E86 VanDerWaalsContact CD-OE2 3.26Å; K63-E86 WeakPolarHBondContact CD-OE2 3.28Å; K63-E86 WeakPolarHBondContact CE-OE2 3.42Å; K63-E86 HydrophobicContact CG-CB 4.11Å; K63-E86 IonicContact NZ-OE2 3.12Å; K63-E86 PolarHBondContact NZ-OE2 3.19Å
64	L	98.6	Very high	96.9	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	112.2	179	177.7	55.8	0	0	0	110.1	L41 F55 L66 F81 L84 E86 L87 D88	L41-L64 HydrophobicContact CB-CD1 4.27Å; L41-L64 HydrophobicContact CD2-CD1 4.37Å; L41-L64 HydrophobicContact CG-CD1 4.31Å; L41-L64 WeakPolarHBondContact O-CA 3.47Å; F55-L64 HydrophobicContact CE1-CD1 4.41Å; F55-L64 HydrophobicContact CE1-CD2 3.95Å; F55-L64 HydrophobicContact CZ-CD1 3.78Å; F55-L64 HydrophobicContact CZ-CD2 4.17Å; L64-L66 HydrophobicContact CD1-CD1 3.94Å; L64-L66 HydrophobicContact CD1-CD2 4.37Å; L64-L66 HydrophobicContact CD1-CG 3.83Å; L64-L66 HydrophobicContact CD2-CD1 3.76Å; L64-L66 HydrophobicContact CG-CD1 3.79Å; L64-L66 HydrophobicContact CG-CG 4.02Å; L64-F81 HydrophobicContact CD2-CD2 4.27Å; L64-F81 HydrophobicContact CD2-CE2 3.85Å; L64-L84 HydrophobicContact CB-CD1 3.81Å; L64-E86 PolarHBondContact N-O 3.1Å; L64-L87 HydrophobicContact CB-CD1 4.16Å; L64-L87 HydrophobicContact CD2-CD1 3.9Å; L64-L87 HydrophobicContact CG-CD1 4.07Å; L64-D88 PolarHBondContact O-N 3.11Å
65	G	98.4	Very high	97	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.5	171.9	0	0	0	0	0	110.6	L41 L43 D44	L41-G65 PolarHBondContact O-N 2.84Å; L43-G65 WeakPolarHBondContact CA-O 2.98Å; L43-G65 PolarHBondContact N-O 2.94Å; D44-G65 VanDerWaalsContact OD1-C 3.25Å; D44-G65 WeakPolarHBondContact OD1-CA 3.47Å
66	L	98.2	Very high	97	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.219	C	C	.	.			trans	-135.4	17.4	178.9	-71.6	167	0	0	0	110.9	L43 D44 L48 L51 L64 N69 I71 D88 V89 N92	L43-L66 HydrophobicContact CB-CD2 3.87Å; L43-L66 HydrophobicContact CD1-CD2 3.99Å; L43-L66 HydrophobicContact CG-CD2 4.47Å; D44-L66 PolarHBondContact OD1-N 3.45Å; L48-L66 HydrophobicContact CD1-CD2 4.1Å; L51-L66 HydrophobicContact CD1-CD1 3.87Å; L51-L66 HydrophobicContact CD2-CD1 4.42Å; L51-L66 HydrophobicContact CD2-CD2 4.12Å; L64-L66 HydrophobicContact CD1-CD1 3.94Å; L64-L66 HydrophobicContact CD1-CD2 4.37Å; L64-L66 HydrophobicContact CD1-CG 3.83Å; L64-L66 HydrophobicContact CD2-CD1 3.76Å; L64-L66 HydrophobicContact CG-CD1 3.79Å; L64-L66 HydrophobicContact CG-CG 4.02Å; L66-N69 PolarHBondContact O-ND2 2.75Å; L66-N69 VanDerWaalsContact O-ND2 3.16Å; L66-I71 HydrophobicContact CB-CD1 3.92Å; L66-I71 HydrophobicContact CD1-CD1 4.14Å; L66-I71 HydrophobicContact CD2-CD1 3.97Å; L66-I71 HydrophobicContact CG-CD1 4.25Å; L66-D88 WeakPolarHBondContact CA-O 3.11Å; L66-D88 WeakPolarHBondContact CB-O 3.36Å; L66-D88 PolarHBondContact N-O 3.04Å; L66-V89 HydrophobicContact CB-CG1 4.11Å; L66-V89 HydrophobicContact CD1-CG1 4.03Å; L66-N92 PolarHBondContact O-ND2 3Å
67	S	97.4	Very high	97.1	Very high	15 Å²	15	49.8 Å²	49.8	11%	0.105	24%	0.236	C	C	.	.			trans	-62.2	156.1	-177.5	63.5	0	0	0	0	111.8	D44 A45 N69 D88 S90	D44-S67 CarbonylContact C-O 3.55Å; D44-S67 WeakPolarHBondContact CA-O 3.44Å; D44-S67 VanDerWaalsContact CB-OG 3.27Å; D44-S67 WeakPolarHBondContact CB-OG 3.4Å; D44-S67 VanDerWaalsContact CG-OG 3.3Å; D44-S67 WeakPolarHBondContact OD1-CB 3.47Å; D44-S67 PolarHBondContact OD1-N 3.06Å; D44-S67 PolarHBondContact OD1-OG 3.25Å; A45-S67 PolarHBondContact N-O 2.98Å; S67-N69 PolarHBondContact O-ND2 2.97Å; S67-D88 WeakPolarHBondContact CB-OD1 3.38Å; S67-S90 CarbonylContact C-O 3.59Å; S67-S90 VanDerWaalsContact CA-O 3.22Å; S67-S90 WeakPolarHBondContact CA-O 3.3Å; S67-S90 WeakPolarHBondContact CB-OG 3.45Å
68	D	96.8	Very high	97.1	Very high	75 Å²	75	44.2 Å²	44.2	40%	0.401	21%	0.21	S	C	.	.	S	Bend	trans	52.9	61.2	176.5	-73.8	-50.7	0	0	0	112.7	A45 N46 S90 R91	A45-D68 CarbonylContact C-O 3.51Å; A45-D68 WeakPolarHBondContact CA-O 3.31Å; A45-D68 HydrophobicContact CB-CB 4.16Å; A45-D68 PolarHBondContact N-O 2.77Å; N46-D68 PolarHBondContact N-O 3.13Å; N46-D68 VanDerWaalsContact N-O 3.11Å; D68-S90 PolarHBondContact N-O 3.18Å; D68-S90 VanDerWaalsContact N-O 3.08Å; D68-R91 WeakPolarHBondContact CA-O 3.49Å; D68-R91 PolarHBondContact N-O 3.25Å; D68-R91 WeakPolarHBondContact OD1-CB 3.32Å; D68-R91 WeakPolarHBondContact OD1-CD 3.3Å
69	N	97.7	Very high	97.1	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.07	22%	0.215	C	C	.	.	S	Bend	trans	-134.2	-171.9	176.6	-86.4	-82.8	0	0	0	110.4	L43 N46 Q47 L48 L66 S67 I71 R91 N92	L43-N69 PolarHBondContact O-ND2 3.28Å; N46-N69 WeakPolarHBondContact CA-OD1 3.33Å; N46-N69 WeakPolarHBondContact CB-OD1 3.41Å; N46-N69 PolarHBondContact O-OD1 2.93Å; Q47-N69 PolarHBondContact N-OD1 2.78Å; L48-N69 HydrophobicContact CB-CB 4.34Å; L48-N69 VanDerWaalsContact CB-OD1 3.27Å; L48-N69 WeakPolarHBondContact CB-OD1 3.41Å; L48-N69 VanDerWaalsContact CG-OD1 3.28Å; L48-N69 WeakPolarHBondContact CG-OD1 3.34Å; L48-N69 PolarHBondContact N-OD1 2.94Å; L66-N69 PolarHBondContact O-ND2 2.75Å; L66-N69 VanDerWaalsContact O-ND2 3.16Å; S67-N69 PolarHBondContact O-ND2 2.97Å; N69-I71 HydrophobicContact CB-CD1 4.26Å; N69-I71 HydrophobicContact CB-CG1 4.07Å; N69-R91 PolarHBondContact N-O 2.72Å; N69-N92 WeakPolarHBondContact CA-OD1 3.2Å; N69-N92 WeakPolarHBondContact CB-OD1 3.26Å; N69-N92 PolarHBondContact O-OD1 2.96Å
70	E	97.1	Very high	97.2	Very high	57 Å²	57	44.9 Å²	44.9	27%	0.266	21%	0.213	S	C	.	.			trans	-111.4	28.1	178.6	-64.3	176.1	-159.4	0	0	111.1	L48 R49 Q72	L48-E70 CarbonylContact O-C 3.56Å; L48-E70 VanDerWaalsContact O-CA 3.3Å; L48-E70 WeakPolarHBondContact O-CA 3.4Å; L48-E70 PolarHBondContact O-N 3.17Å; R49-E70 WeakPolarHBondContact CA-O 3.47Å; R49-E70 HydrophobicContact CG-CB 3.84Å; R49-E70 IonicContact CZ-OE2 2.68Å; R49-E70 IonicContact NE-OE2 3.33Å; R49-E70 PolarHBondContact NE-OE2 3.29Å; R49-E70 IonicContact NH2-OE2 3.85Å; R49-E70 PolarHBondContact NH2-OE2 2.93Å; E70-Q72 WeakPolarHBondContact O-CG 3.46Å; E70-Q72 PolarHBondContact O-N 2.94Å
71	I	97.5	Very high	97.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.196	C	C	.	.			trans	-68.7	121.5	-170.8	-61.5	169.1	0	0	0	109.7	L48 R49 L51 L66 N69 R73 N92 E93 I94	L48-I71 HydrophobicContact CB-CG1 4.29Å; L48-I71 WeakPolarHBondContact O-CG1 3.45Å; L48-I71 PolarHBondContact O-N 2.65Å; R49-I71 WeakPolarHBondContact O-CA 3.38Å; L51-I71 HydrophobicContact CD2-CD1 4.38Å; L51-I71 HydrophobicContact CG-CD1 4.47Å; L66-I71 HydrophobicContact CB-CD1 3.92Å; L66-I71 HydrophobicContact CD1-CD1 4.14Å; L66-I71 HydrophobicContact CD2-CD1 3.97Å; L66-I71 HydrophobicContact CG-CD1 4.25Å; N69-I71 HydrophobicContact CB-CD1 4.26Å; N69-I71 HydrophobicContact CB-CG1 4.07Å; I71-R73 WeakPolarHBondContact CG2-O 3.49Å; I71-N92 HydrophobicContact CB-CB 4.27Å; I71-N92 WeakPolarHBondContact CB-OD1 3.42Å; I71-N92 VanDerWaalsContact CG1-OD1 3.28Å; I71-N92 WeakPolarHBondContact CG1-OD1 3.33Å; I71-N92 PolarHBondContact N-OD1 3Å; I71-E93 CarbonylContact O-C 3.33Å; I71-E93 VanDerWaalsContact O-CA 3.32Å; I71-E93 WeakPolarHBondContact O-CA 3.38Å; I71-E93 PolarHBondContact O-N 3.06Å; I71-I94 HydrophobicContact CB-CG1 4.44Å; I71-I94 HydrophobicContact CG2-CD1 4.26Å; I71-I94 HydrophobicContact CG2-CG1 4.14Å; I71-I94 WeakPolarHBondContact O-CG1 3.31Å; I71-I94 PolarHBondContact O-N 2.97Å
72	Q	95.8	Very high	97.1	Very high	106 Å²	106	46.6 Å²	46.6	50%	0.495	22%	0.224	S	C	.	.			trans	-91.6	-14.8	-172.8	-61.5	-179.1	0.6	0	0	113.9	R49 E70 E93 P95	R49-Q72 PolarHBondContact O-N 2.97Å; R49-Q72 VanDerWaalsContact O-N 3.13Å; E70-Q72 WeakPolarHBondContact O-CG 3.46Å; E70-Q72 PolarHBondContact O-N 2.94Å; Q72-E93 HydrophobicContact CG-CB 4.4Å; Q72-P95 WeakPolarHBondContact O-CD 3.22Å
73	R	95.8	Very high	97	Very high	142 Å²	142	44.8 Å²	44.8	54%	0.536	22%	0.221	S	C	.	.			trans	-158.9	140	-177.2	-171.4	178.1	-175.9	-161.8	0.7	112	I71	I71-R73 WeakPolarHBondContact CG2-O 3.49Å
74	L	95.8	Very high	97	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	21%	0.205	C	C	.	.			trans	-98.4	108.4	162.7	-169	62	0	0	0	108.9	I78 I94 P98 F112	L74-I78 HydrophobicContact CD1-CB 4.24Å; L74-I78 HydrophobicContact CD1-CD1 3.92Å; L74-I78 HydrophobicContact CD1-CG1 4.09Å; L74-I78 HydrophobicContact CD2-CG1 4.26Å; L74-I78 HydrophobicContact CG-CB 4.24Å; L74-I78 HydrophobicContact CG-CG1 4.28Å; L74-I78 HydrophobicContact CG-CG2 4.42Å; L74-I94 HydrophobicContact CB-CD1 4.49Å; L74-I94 HydrophobicContact CB-CG2 4.23Å; L74-P98 HydrophobicContact CG-CG 4.38Å; L74-P98 WeakPolarHBondContact O-CD 3.49Å; L74-P98 WeakPolarHBondContact O-CG 3.3Å; L74-F112 HydrophobicContact CD2-CE1 4.41Å
75	P	95.8	Very high	97	Very high	19 Å²	19	41.8 Å²	41.8	12%	0.123	21%	0.209	C	C	.	.			trans	-82.5	161.6	-173.2	38.4	-39.8	0	0	0	111.5	F56 E77 I78	F56-P75 HydrophobicContact CD2-CG 4.35Å; F56-P75 HydrophobicContact CE1-CG 4.08Å; F56-P75 HydrophobicContact CE2-CG 3.4Å; F56-P75 HydrophobicContact CZ-CG 3.24Å; P75-E77 VanDerWaalsContact CB-OE2 3.3Å; P75-E77 WeakPolarHBondContact CB-OE2 3.36Å; P75-E77 PolarHBondContact O-N 3.27Å; P75-I78 WeakPolarHBondContact O-CG2 3.44Å; P75-I78 PolarHBondContact O-N 3.02Å; P75-I78 VanDerWaalsContact O-N 3.1Å
76	P	96.8	Very high	97	Very high	59 Å²	59	45 Å²	45	38%	0.383	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.4	-22.8	-174.2	-26.3	35.7	0	0	0	115.4	I78 A79 S100	P76-I78 PolarHBondContact O-N 3.48Å; P76-I78 VanDerWaalsContact O-N 3.1Å; P76-A79 WeakPolarHBondContact O-CB 3.28Å; P76-A79 PolarHBondContact O-N 2.91Å; P76-S100 WeakPolarHBondContact CA-OG 3.32Å; P76-S100 PolarHBondContact O-OG 2.91Å
77	E	97.5	Very high	97.1	Very high	76 Å²	76	45.2 Å²	45.2	36%	0.355	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-61.3	-11.8	176.5	-66.5	74.1	-167.3	0	0	113.5	F56 P75 A79 N80	F56-E77 HydrophobicContact CB-CB 3.64Å; F56-E77 HydrophobicContact CD1-CB 3.96Å; F56-E77 WeakPolarHBondContact CD1-O 3.41Å; F56-E77 HydrophobicContact CD2-CB 3.8Å; F56-E77 HydrophobicContact CE2-CB 4.5Å; F56-E77 HydrophobicContact CG-CB 3.5Å; F56-E77 VanDerWaalsContact CG-CB 3.5Å; P75-E77 VanDerWaalsContact CB-OE2 3.3Å; P75-E77 WeakPolarHBondContact CB-OE2 3.36Å; P75-E77 PolarHBondContact O-N 3.27Å; E77-A79 PolarHBondContact O-N 2.77Å; E77-N80 VanDerWaalsContact O-CB 3.28Å; E77-N80 WeakPolarHBondContact O-CB 3.49Å; E77-N80 PolarHBondContact O-N 3.05Å
78	I	97	Very high	97.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-51.2	-29.4	168.6	-168.3	62.3	0	0	0	112.2	F56 L74 P75 P76 N80 F81 P98 I101 C104	F56-I78 HydrophobicContact CE1-CB 4.34Å; F56-I78 HydrophobicContact CE1-CD1 4.24Å; L74-I78 HydrophobicContact CD1-CB 4.24Å; L74-I78 HydrophobicContact CD1-CD1 3.92Å; L74-I78 HydrophobicContact CD1-CG1 4.09Å; L74-I78 HydrophobicContact CD2-CG1 4.26Å; L74-I78 HydrophobicContact CG-CB 4.24Å; L74-I78 HydrophobicContact CG-CG1 4.28Å; L74-I78 HydrophobicContact CG-CG2 4.42Å; P75-I78 WeakPolarHBondContact O-CG2 3.44Å; P75-I78 PolarHBondContact O-N 3.02Å; P75-I78 VanDerWaalsContact O-N 3.1Å; P76-I78 PolarHBondContact O-N 3.48Å; P76-I78 VanDerWaalsContact O-N 3.1Å; I78-N80 PolarHBondContact O-N 3.37Å; I78-F81 HydrophobicContact CD1-CD2 3.5Å; I78-F81 VanDerWaalsContact CD1-CD2 3.5Å; I78-F81 HydrophobicContact CD1-CE2 3.82Å; I78-F81 PolarHBondContact O-N 2.87Å; I78-P98 HydrophobicContact CG2-CG 3.81Å; I78-I101 HydrophobicContact CG1-CD1 3.81Å; I78-I101 HydrophobicContact CG2-CD1 4.14Å; I78-C104 PolarHBondContact O-SG 3.02Å; I78-C104 VanDerWaalsContact O-SG 3.37Å
79	A	96.5	Very high	97.2	Very high	14 Å²	14	43.2 Å²	43.2	12%	0.116	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-55.7	-19.1	173.8	0	0	0	0	0	114.8	P76 E77 F81 S100 F103	P76-A79 WeakPolarHBondContact O-CB 3.28Å; P76-A79 PolarHBondContact O-N 2.91Å; E77-A79 PolarHBondContact O-N 2.77Å; A79-F81 VanDerWaalsContact C-N 3.28Å; A79-F81 PolarHBondContact O-N 3.08Å; A79-S100 WeakPolarHBondContact CB-O 3.31Å; A79-F103 HydrophobicContact CB-CB 3.74Å; A79-F103 HydrophobicContact CB-CD2 3.84Å; A79-F103 HydrophobicContact CB-CG 4.12Å
80	N	96.7	Very high	97.1	Very high	71 Å²	71	43 Å²	43	38%	0.38	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-71.5	-22.3	176.7	-69.2	-18.7	0	0	0	112.9	F56 E77 I78 M82	F56-N80 WeakPolarHBondContact O-CB 3.21Å; F56-N80 PolarHBondContact O-ND2 2.99Å; F56-N80 VanDerWaalsContact O-ND2 3.13Å; E77-N80 VanDerWaalsContact O-CB 3.28Å; E77-N80 WeakPolarHBondContact O-CB 3.49Å; E77-N80 PolarHBondContact O-N 3.05Å; I78-N80 PolarHBondContact O-N 3.37Å; N80-M82 PolarHBondContact O-N 2.96Å
81	F	96.9	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.			trans	-82.5	57.9	178.3	-55.1	-33.6	0	0	0	111.7	F55 F56 L58 L61 L64 I78 A79 Q83 L84	F55-F81 HydrophobicContact CD1-CE2 4.23Å; F55-F81 AromaticContact CD1-CZ 3.82Å; F55-F81 HydrophobicContact CD1-CZ 3.82Å; F55-F81 AromaticContact CE1-CE2 3.94Å; F55-F81 HydrophobicContact CE1-CE2 3.94Å; F55-F81 AromaticContact CE1-CZ 3.85Å; F55-F81 HydrophobicContact CE1-CZ 3.85Å; F55-F81 WeakPolarHBondContact O-CZ 2.88Å; F56-F81 AromaticContact CD1-CE2 3.87Å; F56-F81 HydrophobicContact CD1-CE2 3.87Å; F56-F81 AromaticContact CD1-CZ 3.84Å; F56-F81 HydrophobicContact CD1-CZ 3.84Å; F56-F81 HydrophobicContact CE1-CE2 4.17Å; F56-F81 HydrophobicContact CE1-CZ 4.46Å; F56-F81 HydrophobicContact CG-CZ 4.46Å; L58-F81 HydrophobicContact CB-CE1 4.02Å; L61-F81 HydrophobicContact CD1-CD1 4.4Å; L61-F81 HydrophobicContact CD1-CE1 3.94Å; L61-F81 HydrophobicContact CD1-CE2 4.31Å; L61-F81 HydrophobicContact CD1-CZ 3.89Å; L64-F81 HydrophobicContact CD2-CD2 4.27Å; L64-F81 HydrophobicContact CD2-CE2 3.85Å; I78-F81 HydrophobicContact CD1-CD2 3.5Å; I78-F81 VanDerWaalsContact CD1-CD2 3.5Å; I78-F81 HydrophobicContact CD1-CE2 3.82Å; I78-F81 PolarHBondContact O-N 2.87Å; A79-F81 VanDerWaalsContact C-N 3.28Å; A79-F81 PolarHBondContact O-N 3.08Å; F81-Q83 PolarHBondContact O-N 3.46Å; F81-L84 HydrophobicContact CB-CB 3.86Å; F81-L84 HydrophobicContact CB-CD2 4.17Å; F81-L84 HydrophobicContact CB-CG 4.48Å; F81-L84 HydrophobicContact CD2-CD2 4.3Å; F81-L84 WeakPolarHBondContact O-CB 3.33Å; F81-L84 PolarHBondContact O-N 3.08Å
82	M	95.6	Very high	97	Very high	120 Å²	120	45 Å²	45	59%	0.591	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.7	-178.3	-60.5	-179.1	-176.6	0	0	113.9	N80 A106	N80-M82 PolarHBondContact O-N 2.96Å; M82-A106 WeakPolarHBondContact O-CB 3.18Å
83	Q	97.3	Very high	97	Very high	84 Å²	84	45 Å²	45	39%	0.393	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	0.5	178.7	-53.5	-162.5	-15.3	0	0	113	L61 R62 F81 V85	L61-Q83 CarbonylContact O-C 3.5Å; R62-Q83 HydrophobicContact CG-CB 4.49Å; F81-Q83 PolarHBondContact O-N 3.46Å; Q83-V85 PolarHBondContact O-N 2.93Å
84	L	98.4	Very high	97	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.			trans	-66.4	125.1	-177	-162.6	66	0	0	0	110.3	L61 L64 F81 E86 L87 A106 L107	L61-L84 HydrophobicContact CB-CD1 4.24Å; L61-L84 WeakPolarHBondContact O-CA 3.15Å; L61-L84 PolarHBondContact O-N 2.95Å; L64-L84 HydrophobicContact CB-CD1 3.81Å; F81-L84 HydrophobicContact CB-CB 3.86Å; F81-L84 HydrophobicContact CB-CD2 4.17Å; F81-L84 HydrophobicContact CB-CG 4.48Å; F81-L84 HydrophobicContact CD2-CD2 4.3Å; F81-L84 WeakPolarHBondContact O-CB 3.33Å; F81-L84 PolarHBondContact O-N 3.08Å; L84-E86 WeakPolarHBondContact CD1-O 3.21Å; L84-L87 HydrophobicContact CD2-CB 3.86Å; L84-L87 HydrophobicContact CD2-CD1 4.11Å; L84-L87 HydrophobicContact CD2-CD2 4.27Å; L84-L87 HydrophobicContact CD2-CG 4.3Å; L84-A106 CarbonylContact O-C 3.25Å; L84-A106 WeakPolarHBondContact O-CB 3.3Å; L84-L107 HydrophobicContact CD2-CD1 4.25Å; L84-L107 HydrophobicContact CG-CD1 4.12Å; L84-L107 WeakPolarHBondContact O-CA 3.38Å; L84-L107 PolarHBondContact O-N 3.48Å
85	V	98.6	Very high	96.9	Very high	16 Å²	16	41 Å²	41	10%	0.097	21%	0.21	C	C	.	.			trans	-105.5	-39.6	-179.9	-178.4	0	0	0	0	110.2	R62 Q83 Q108 V109	R62-V85 HydrophobicContact CB-CG2 4.38Å; R62-V85 WeakPolarHBondContact O-CA 3.04Å; R62-V85 WeakPolarHBondContact O-CB 3.37Å; R62-V85 PolarHBondContact O-N 3.01Å; Q83-V85 PolarHBondContact O-N 2.93Å; V85-Q108 HydrophobicContact CG1-CB 3.9Å; V85-Q108 HydrophobicContact CG1-CG 3.98Å; V85-Q108 PolarHBondContact O-N 3.35Å; V85-V109 PolarHBondContact O-N 3.1Å
86	E	98.7	Very high	96.9	Very high	71 Å²	71	45.3 Å²	45.3	33%	0.332	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.4	-179.1	-59.8	-177.7	-165.6	0	0	110	R62 K63 L64 L84 V109	R62-E86 PolarHBondContact O-N 3.16Å; K63-E86 WeakPolarHBondContact CA-O 3.39Å; K63-E86 HydrophobicContact CB-CB 4.37Å; K63-E86 VanDerWaalsContact CD-OE2 3.26Å; K63-E86 WeakPolarHBondContact CD-OE2 3.28Å; K63-E86 WeakPolarHBondContact CE-OE2 3.42Å; K63-E86 HydrophobicContact CG-CB 4.11Å; K63-E86 IonicContact NZ-OE2 3.12Å; K63-E86 PolarHBondContact NZ-OE2 3.19Å; L64-E86 PolarHBondContact N-O 3.1Å; L84-E86 WeakPolarHBondContact CD1-O 3.21Å; E86-V109 WeakPolarHBondContact CA-O 3.48Å; E86-V109 HydrophobicContact CB-CB 4.49Å; E86-V109 HydrophobicContact CG-CB 4.09Å; E86-V109 HydrophobicContact CG-CG2 4.28Å
87	L	98.6	Very high	96.9	Very high	4 Å²	4	43 Å²	43	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119	174.1	178.5	59.3	0	0	0	109.2	L64 L84 V89 I101 L107 V109 A110 D111 F112	L64-L87 HydrophobicContact CB-CD1 4.16Å; L64-L87 HydrophobicContact CD2-CD1 3.9Å; L64-L87 HydrophobicContact CG-CD1 4.07Å; L84-L87 HydrophobicContact CD2-CB 3.86Å; L84-L87 HydrophobicContact CD2-CD1 4.11Å; L84-L87 HydrophobicContact CD2-CD2 4.27Å; L84-L87 HydrophobicContact CD2-CG 4.3Å; L87-V89 HydrophobicContact CD1-CG1 3.66Å; L87-V89 HydrophobicContact CG-CG1 4.12Å; L87-I101 HydrophobicContact CD2-CD1 4.23Å; L87-L107 HydrophobicContact CB-CD1 3.76Å; L87-V109 PolarHBondContact N-O 3.48Å; L87-A110 CarbonylContact O-C 3.29Å; L87-A110 VanDerWaalsContact O-CA 3.3Å; L87-A110 WeakPolarHBondContact O-CA 3.44Å; L87-D111 PolarHBondContact O-N 3.43Å; L87-F112 HydrophobicContact CD2-CE1 4.16Å; L87-F112 HydrophobicContact CD2-CZ 4.11Å
88	D	98.4	Very high	96.8	Very high	47 Å²	47	40.1 Å²	40.1	25%	0.251	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.1	169.2	-174.4	-8.3	0	0	0	108.7	L64 L66 S67 S90	L64-D88 PolarHBondContact O-N 3.11Å; L66-D88 WeakPolarHBondContact CA-O 3.11Å; L66-D88 WeakPolarHBondContact CB-O 3.36Å; L66-D88 PolarHBondContact N-O 3.04Å; S67-D88 WeakPolarHBondContact CB-OD1 3.38Å; D88-S90 VanDerWaalsContact OD1-CB 3.24Å; D88-S90 WeakPolarHBondContact OD1-CB 3.33Å; D88-S90 PolarHBondContact OD1-N 2.94Å; D88-S90 PolarHBondContact OD1-OG 3.48Å
89	V	97.7	Very high	96.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.22	C	C	.	.			trans	-123.6	23.4	173.1	-66.2	0	0	0	0	110.3	L66 L87 N92 I94 D111 F112 N115	L66-V89 HydrophobicContact CB-CG1 4.11Å; L66-V89 HydrophobicContact CD1-CG1 4.03Å; L87-V89 HydrophobicContact CD1-CG1 3.66Å; L87-V89 HydrophobicContact CG-CG1 4.12Å; V89-N92 PolarHBondContact O-ND2 2.8Å; V89-N92 VanDerWaalsContact O-ND2 3.08Å; V89-I94 HydrophobicContact CB-CD1 3.96Å; V89-I94 HydrophobicContact CG2-CD1 4.15Å; V89-D111 PolarHBondContact N-O 3.34Å; V89-F112 HydrophobicContact CG2-CD1 3.27Å; V89-F112 HydrophobicContact CG2-CE1 3.62Å; V89-F112 HydrophobicContact CG2-CG 4.24Å; V89-N115 PolarHBondContact O-ND2 3.48Å
90	S	97	Very high	96.9	Very high	8 Å²	8	44.6 Å²	44.6	6%	0.056	22%	0.221	C	C	.	.			trans	-62.4	156.6	-178.8	65	0	0	0	0	112	S67 D68 D88 N92 D111 S113	S67-S90 CarbonylContact C-O 3.59Å; S67-S90 VanDerWaalsContact CA-O 3.22Å; S67-S90 WeakPolarHBondContact CA-O 3.3Å; S67-S90 WeakPolarHBondContact CB-OG 3.45Å; D68-S90 PolarHBondContact N-O 3.18Å; D68-S90 VanDerWaalsContact N-O 3.08Å; D88-S90 VanDerWaalsContact OD1-CB 3.24Å; D88-S90 WeakPolarHBondContact OD1-CB 3.33Å; D88-S90 PolarHBondContact OD1-N 2.94Å; D88-S90 PolarHBondContact OD1-OG 3.48Å; S90-N92 PolarHBondContact O-N 3.49Å; S90-N92 PolarHBondContact O-ND2 3.01Å; S90-D111 PolarHBondContact N-O 3Å; S90-S113 CarbonylContact C-O 3.57Å; S90-S113 WeakPolarHBondContact CA-O 3.37Å; S90-S113 VanDerWaalsContact CB-O 3.32Å; S90-S113 WeakPolarHBondContact CB-O 3.44Å
91	R	95.5	Very high	96.9	Very high	93 Å²	93	41.2 Å²	41.2	35%	0.351	20%	0.203	S	C	.	.	S	Bend	trans	53.6	58.7	176.2	-55.4	175.2	-175	-118.9	4.8	112.2	D68 N69 S113 G114 P481	D68-R91 WeakPolarHBondContact CA-O 3.49Å; D68-R91 PolarHBondContact N-O 3.25Å; D68-R91 WeakPolarHBondContact OD1-CB 3.32Å; D68-R91 WeakPolarHBondContact OD1-CD 3.3Å; N69-R91 PolarHBondContact N-O 2.72Å; R91-S113 PolarHBondContact N-O 2.85Å; R91-G114 WeakPolarHBondContact CA-O 3.48Å; R91-P481 HydrophobicContact CG-CG 4.48Å
92	N	96.6	Very high	96.8	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.053	21%	0.205	C	C	.	.	S	Bend	trans	-132.8	-172	177.4	-85.5	-81.8	0	0	0	110	L66 N69 I71 V89 S90 I94 G114 N115	L66-N92 PolarHBondContact O-ND2 3Å; N69-N92 WeakPolarHBondContact CA-OD1 3.2Å; N69-N92 WeakPolarHBondContact CB-OD1 3.26Å; N69-N92 PolarHBondContact O-OD1 2.96Å; I71-N92 HydrophobicContact CB-CB 4.27Å; I71-N92 WeakPolarHBondContact CB-OD1 3.42Å; I71-N92 VanDerWaalsContact CG1-OD1 3.28Å; I71-N92 WeakPolarHBondContact CG1-OD1 3.33Å; I71-N92 PolarHBondContact N-OD1 3Å; V89-N92 PolarHBondContact O-ND2 2.8Å; V89-N92 VanDerWaalsContact O-ND2 3.08Å; S90-N92 PolarHBondContact O-N 3.49Å; S90-N92 PolarHBondContact O-ND2 3.01Å; N92-I94 HydrophobicContact CB-CD1 4.22Å; N92-I94 HydrophobicContact CB-CG1 4.1Å; N92-G114 PolarHBondContact N-O 2.93Å; N92-N115 WeakPolarHBondContact CA-OD1 3.28Å; N92-N115 WeakPolarHBondContact CB-OD1 3.06Å; N92-N115 PolarHBondContact N-OD1 3.25Å; N92-N115 PolarHBondContact O-OD1 3.35Å
93	E	95.9	Very high	96.9	Very high	104 Å²	104	41.2 Å²	41.2	49%	0.486	20%	0.201	S	C	.	.			trans	-107.5	27.9	-179.9	-59.8	-171.5	169.6	0	0	112.6	I71 Q72 P95	I71-E93 CarbonylContact O-C 3.33Å; I71-E93 VanDerWaalsContact O-CA 3.32Å; I71-E93 WeakPolarHBondContact O-CA 3.38Å; I71-E93 PolarHBondContact O-N 3.06Å; Q72-E93 HydrophobicContact CG-CB 4.4Å; E93-P95 VanDerWaalsContact O-CD 3.28Å; E93-P95 WeakPolarHBondContact O-CD 3.4Å
94	I	96	Very high	96.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.182	C	C	.	.			trans	-77.9	117.3	-173.2	-56.2	170.9	0	0	0	110.3	I71 L74 V89 N92 E96 N115 P116 L117	I71-I94 HydrophobicContact CB-CG1 4.44Å; I71-I94 HydrophobicContact CG2-CD1 4.26Å; I71-I94 HydrophobicContact CG2-CG1 4.14Å; I71-I94 WeakPolarHBondContact O-CG1 3.31Å; I71-I94 PolarHBondContact O-N 2.97Å; L74-I94 HydrophobicContact CB-CD1 4.49Å; L74-I94 HydrophobicContact CB-CG2 4.23Å; V89-I94 HydrophobicContact CB-CD1 3.96Å; V89-I94 HydrophobicContact CG2-CD1 4.15Å; N92-I94 HydrophobicContact CB-CD1 4.22Å; N92-I94 HydrophobicContact CB-CG1 4.1Å; I94-E96 VanDerWaalsContact CG2-O 3.23Å; I94-E96 WeakPolarHBondContact CG2-O 3.24Å; I94-N115 HydrophobicContact CB-CB 4.44Å; I94-N115 VanDerWaalsContact CB-OD1 3.32Å; I94-N115 WeakPolarHBondContact CB-OD1 3.11Å; I94-N115 WeakPolarHBondContact CG1-OD1 3.49Å; I94-N115 PolarHBondContact N-OD1 3.03Å; I94-P116 VanDerWaalsContact O-CD 3.3Å; I94-P116 WeakPolarHBondContact O-CD 3.2Å; I94-L117 HydrophobicContact CG2-CD2 4.09Å; I94-L117 WeakPolarHBondContact O-CD2 3.18Å
95	P	93.9	Very high	96.7	Very high	61 Å²	61	43.6 Å²	43.6	40%	0.396	21%	0.21	S	C	.	.			trans	-87.2	-20.8	-176.8	33.9	-35.5	0	0	0	114.1	Q72 E93	Q72-P95 WeakPolarHBondContact O-CD 3.22Å; E93-P95 VanDerWaalsContact O-CD 3.28Å; E93-P95 WeakPolarHBondContact O-CD 3.4Å
96	E	95.3	Very high	96.6	Very high	109 Å²	109	44 Å²	44	51%	0.509	22%	0.215	S	C	.	.			trans	-149.3	147.6	179.5	64.6	-179.8	-169.3	0	0	111.8	I94	I94-E96 VanDerWaalsContact CG2-O 3.23Å; I94-E96 WeakPolarHBondContact CG2-O 3.24Å
97	I	96.3	Very high	96.6	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.056	20%	0.199	C	C	.	.			trans	-95.6	127.7	167.9	-58.8	170.7	0	0	0	107.6	I101 F112 L117 L120 P121 F124	I97-I101 HydrophobicContact CG2-CB 3.86Å; I97-I101 HydrophobicContact CG2-CG1 4.1Å; I97-I101 HydrophobicContact CG2-CG2 3.74Å; I97-F112 HydrophobicContact CD1-CB 4.33Å; I97-F112 HydrophobicContact CD1-CD1 3.57Å; I97-F112 HydrophobicContact CD1-CD2 3.92Å; I97-F112 HydrophobicContact CD1-CE1 3.75Å; I97-F112 HydrophobicContact CD1-CE2 4.05Å; I97-F112 HydrophobicContact CD1-CG 3.68Å; I97-F112 HydrophobicContact CD1-CZ 3.99Å; I97-F112 HydrophobicContact CG1-CD1 4.03Å; I97-F112 HydrophobicContact CG1-CE1 4.1Å; I97-L117 HydrophobicContact CD1-CD1 3.85Å; I97-L117 HydrophobicContact CG1-CD1 3.95Å; I97-L117 HydrophobicContact CG1-CD2 3.97Å; I97-L120 HydrophobicContact CD1-CD2 3.94Å; I97-P121 HydrophobicContact CB-CG 4.2Å; I97-P121 HydrophobicContact CG2-CG 4.06Å; I97-F124 HydrophobicContact CD1-CE2 4.2Å
98	P	96.6	Very high	96.6	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.104	22%	0.218	C	C	.	.			trans	-68.7	145.1	-179.1	29.3	-35.8	0	0	0	111.6	L74 I78 S100 I101	L74-P98 HydrophobicContact CG-CG 4.38Å; L74-P98 WeakPolarHBondContact O-CD 3.49Å; L74-P98 WeakPolarHBondContact O-CG 3.3Å; I78-P98 HydrophobicContact CG2-CG 3.81Å; P98-S100 PolarHBondContact O-N 2.84Å; P98-I101 WeakPolarHBondContact O-CB 3.09Å; P98-I101 VanDerWaalsContact O-CG2 3.25Å; P98-I101 WeakPolarHBondContact O-CG2 3.38Å; P98-I101 PolarHBondContact O-N 3.18Å
99	E	96.8	Very high	96.6	Very high	89 Å²	89	44.8 Å²	44.8	42%	0.416	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-55.2	-25.3	175.7	-69.2	-68.1	157.3	0	0	113.1	I101 S102 P121 E122 S123	E99-I101 PolarHBondContact O-N 3.12Å; E99-S102 PolarHBondContact O-OG 3.35Å; E99-P121 HydrophobicContact CG-CB 4.24Å; E99-P121 WeakPolarHBondContact OE1-CA 3.48Å; E99-P121 WeakPolarHBondContact OE1-CB 3.47Å; E99-E122 PolarHBondContact OE1-N 2.98Å; E99-E122 PolarHBondContact OE2-N 2.92Å; E99-S123 PolarHBondContact O-OG 2.68Å; E99-S123 WeakPolarHBondContact OE2-CB 3.33Å; E99-S123 PolarHBondContact OE2-N 3.05Å; E99-S123 PolarHBondContact OE2-OG 2.94Å
100	S	97.3	Very high	96.6	Very high	19 Å²	19	44.8 Å²	44.8	13%	0.133	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-72.8	-5.5	178.4	67.8	0	0	0	0	113.9	P76 A79 P98 S102 F103	P76-S100 WeakPolarHBondContact CA-OG 3.32Å; P76-S100 PolarHBondContact O-OG 2.91Å; A79-S100 WeakPolarHBondContact CB-O 3.31Å; P98-S100 PolarHBondContact O-N 2.84Å; S100-S102 PolarHBondContact O-N 2.94Å; S100-S102 VanDerWaalsContact O-N 3.15Å; S100-F103 VanDerWaalsContact O-CD2 3.31Å; S100-F103 WeakPolarHBondContact O-CD2 3.36Å; S100-F103 PolarHBondContact O-N 3.42Å; S100-F103 VanDerWaalsContact O-N 3.12Å
101	I	97.1	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-55.7	-30.1	171.9	-166.8	63	0	0	0	111.4	I78 L87 I97 P98 E99 F103 C104 P121 F124 L127	I78-I101 HydrophobicContact CG1-CD1 3.81Å; I78-I101 HydrophobicContact CG2-CD1 4.14Å; L87-I101 HydrophobicContact CD2-CD1 4.23Å; I97-I101 HydrophobicContact CG2-CB 3.86Å; I97-I101 HydrophobicContact CG2-CG1 4.1Å; I97-I101 HydrophobicContact CG2-CG2 3.74Å; P98-I101 WeakPolarHBondContact O-CB 3.09Å; P98-I101 VanDerWaalsContact O-CG2 3.25Å; P98-I101 WeakPolarHBondContact O-CG2 3.38Å; P98-I101 PolarHBondContact O-N 3.18Å; E99-I101 PolarHBondContact O-N 3.12Å; I101-F103 PolarHBondContact O-N 3.15Å; I101-C104 VanDerWaalsContact O-CB 3.31Å; I101-C104 WeakPolarHBondContact O-CB 3.15Å; I101-C104 PolarHBondContact O-N 2.86Å; I101-P121 HydrophobicContact CG2-CG 4.02Å; I101-F124 HydrophobicContact CG2-CD2 4.06Å; I101-L127 HydrophobicContact CG1-CD1 4.25Å; I101-L127 HydrophobicContact CG2-CD1 4.48Å; I101-L127 WeakPolarHBondContact O-CD2 3.38Å
102	S	96	Very high	96.7	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.049	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-59.5	-18	178.8	68.6	0	0	0	0	114.5	E99 S100 C104 E126	E99-S102 PolarHBondContact O-OG 3.35Å; S100-S102 PolarHBondContact O-N 2.94Å; S100-S102 VanDerWaalsContact O-N 3.15Å; S102-C104 VanDerWaalsContact C-N 3.27Å; S102-C104 PolarHBondContact O-N 2.84Å; S102-E126 WeakPolarHBondContact CB-OE2 3.42Å; S102-E126 PolarHBondContact OG-OE2 3.4Å
103	F	96.8	Very high	96.7	Very high	113 Å²	113	41.7 Å²	41.7	50%	0.496	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-74.8	-14.6	173.8	-68.3	-72.6	0	0	0	113.6	A79 S100 I101 K105	A79-F103 HydrophobicContact CB-CB 3.74Å; A79-F103 HydrophobicContact CB-CD2 3.84Å; A79-F103 HydrophobicContact CB-CG 4.12Å; S100-F103 VanDerWaalsContact O-CD2 3.31Å; S100-F103 WeakPolarHBondContact O-CD2 3.36Å; S100-F103 PolarHBondContact O-N 3.42Å; S100-F103 VanDerWaalsContact O-N 3.12Å; I101-F103 PolarHBondContact O-N 3.15Å; F103-K105 PolarHBondContact O-N 2.99Å
104	C	97	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.			trans	-75.8	57.3	173.3	-58.9	0	0	0	0	110.9	I78 I101 S102 A106 L107 L127	I78-C104 PolarHBondContact O-SG 3.02Å; I78-C104 VanDerWaalsContact O-SG 3.37Å; I101-C104 VanDerWaalsContact O-CB 3.31Å; I101-C104 WeakPolarHBondContact O-CB 3.15Å; I101-C104 PolarHBondContact O-N 2.86Å; S102-C104 VanDerWaalsContact C-N 3.27Å; S102-C104 PolarHBondContact O-N 2.84Å; C104-A106 PolarHBondContact O-N 2.77Å; C104-L107 HydrophobicContact CB-CB 4.35Å; C104-L107 WeakPolarHBondContact O-CB 3.23Å; C104-L107 PolarHBondContact O-N 2.72Å; C104-L127 HydrophobicContact CB-CD2 4.37Å; C104-L127 WeakPolarHBondContact O-CD2 3.32Å
105	K	93.8	Very high	96.5	Very high	135 Å²	135	37.4 Å²	37.4	59%	0.587	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.1	-170.2	-64.6	-172	178	-171.9	0	114.5	F103 L107 N129	F103-K105 PolarHBondContact O-N 2.99Å; K105-L107 VanDerWaalsContact C-N 3.3Å; K105-N129 PolarHBondContact O-ND2 3.04Å
106	A	97.6	Very high	96.5	Very high	25 Å²	25	36.8 Å²	36.8	21%	0.207	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.6	176.3	0	0	0	0	0	113.4	M82 L84 C104 Q108	M82-A106 WeakPolarHBondContact O-CB 3.18Å; L84-A106 CarbonylContact O-C 3.25Å; L84-A106 WeakPolarHBondContact O-CB 3.3Å; C104-A106 PolarHBondContact O-N 2.77Å; A106-Q108 PolarHBondContact O-N 3.34Å
107	L	98.4	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.			trans	-65.7	126.6	-171.8	-162.7	68.4	0	0	0	110.5	L84 L87 C104 K105 A110 L127 N129 L130	L84-L107 HydrophobicContact CD2-CD1 4.25Å; L84-L107 HydrophobicContact CG-CD1 4.12Å; L84-L107 WeakPolarHBondContact O-CA 3.38Å; L84-L107 PolarHBondContact O-N 3.48Å; L87-L107 HydrophobicContact CB-CD1 3.76Å; C104-L107 HydrophobicContact CB-CB 4.35Å; C104-L107 WeakPolarHBondContact O-CB 3.23Å; C104-L107 PolarHBondContact O-N 2.72Å; K105-L107 VanDerWaalsContact C-N 3.3Å; L107-A110 HydrophobicContact CD2-CB 3.85Å; L107-A110 HydrophobicContact CG-CB 4.35Å; L107-L127 HydrophobicContact CB-CD2 4.49Å; L107-L127 HydrophobicContact CD2-CD1 4.22Å; L107-N129 CarbonylContact O-C 3.13Å; L107-N129 WeakPolarHBondContact O-CB 3.5Å; L107-L130 HydrophobicContact CB-CD2 4.37Å; L107-L130 HydrophobicContact CD2-CD2 4.1Å; L107-L130 HydrophobicContact CG-CD2 3.92Å; L107-L130 PolarHBondContact O-N 3.16Å; L107-L130 VanDerWaalsContact O-N 3.14Å
108	Q	98.5	Very high	95.8	Very high	87 Å²	87	34.6 Å²	34.6	41%	0.407	19%	0.185	S	C	.	.			trans	-117.8	-33.5	-179.1	-69.2	176.4	28.8	0	0	111.8	V85 A106 N129 T131 C132	V85-Q108 HydrophobicContact CG1-CB 3.9Å; V85-Q108 HydrophobicContact CG1-CG 3.98Å; V85-Q108 PolarHBondContact O-N 3.35Å; A106-Q108 PolarHBondContact O-N 3.34Å; Q108-N129 WeakPolarHBondContact CA-O 3.35Å; Q108-N129 WeakPolarHBondContact CG-O 3.48Å; Q108-T131 PolarHBondContact O-N 3.26Å; Q108-T131 PolarHBondContact O-OG1 3.34Å; Q108-C132 PolarHBondContact O-N 3.03Å
109	V	98.6	Very high	95.6	Very high	51 Å²	51	40 Å²	40	31%	0.309	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.1	178.3	-175.8	0	0	0	0	108.3	V85 E86 L87 C132	V85-V109 PolarHBondContact O-N 3.1Å; E86-V109 WeakPolarHBondContact CA-O 3.48Å; E86-V109 HydrophobicContact CB-CB 4.49Å; E86-V109 HydrophobicContact CG-CB 4.09Å; E86-V109 HydrophobicContact CG-CG2 4.28Å; L87-V109 PolarHBondContact N-O 3.48Å; V109-C132 WeakPolarHBondContact CA-O 3.35Å; V109-C132 HydrophobicContact CG1-CB 4.26Å; V109-C132 HydrophobicContact CG2-CB 4.33Å
110	A	98.3	Very high	95.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.4	176.4	0	0	0	0	0	110.6	L87 L107 F112 L130 C132 L133 S134	L87-A110 CarbonylContact O-C 3.29Å; L87-A110 VanDerWaalsContact O-CA 3.3Å; L87-A110 WeakPolarHBondContact O-CA 3.44Å; L107-A110 HydrophobicContact CD2-CB 3.85Å; L107-A110 HydrophobicContact CG-CB 4.35Å; A110-F112 HydrophobicContact CB-CD2 4.24Å; A110-F112 HydrophobicContact CB-CE2 3.62Å; A110-F112 HydrophobicContact CB-CZ 4.3Å; A110-L130 HydrophobicContact CB-CD2 3.91Å; A110-C132 PolarHBondContact N-O 3.05Å; A110-C132 VanDerWaalsContact N-O 3.08Å; A110-L133 HydrophobicContact CB-CD1 4.17Å; A110-L133 WeakPolarHBondContact O-CA 3.49Å; A110-S134 PolarHBondContact O-N 2.96Å
111	D	98	Very high	95.5	Very high	38 Å²	38	35.4 Å²	35.4	20%	0.203	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.5	171.9	-164.2	-12.8	0	0	0	110.4	L87 V89 S90 S113 S134	L87-D111 PolarHBondContact O-N 3.43Å; V89-D111 PolarHBondContact N-O 3.34Å; S90-D111 PolarHBondContact N-O 3Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.25Å; D111-S113 PolarHBondContact OD1-OG 3.49Å; D111-S134 WeakPolarHBondContact CA-O 3.23Å; D111-S134 WeakPolarHBondContact OD1-CB 3.28Å
112	F	96.9	Very high	95.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	21%	0.212	C	C	.	.			trans	-116.5	8.5	176.7	-61.6	-78.7	0	0	0	112	L74 L87 V89 I97 A110 N115 L117 F124 L133 S134 V135 I138	L74-F112 HydrophobicContact CD2-CE1 4.41Å; L87-F112 HydrophobicContact CD2-CE1 4.16Å; L87-F112 HydrophobicContact CD2-CZ 4.11Å; V89-F112 HydrophobicContact CG2-CD1 3.27Å; V89-F112 HydrophobicContact CG2-CE1 3.62Å; V89-F112 HydrophobicContact CG2-CG 4.24Å; I97-F112 HydrophobicContact CD1-CB 4.33Å; I97-F112 HydrophobicContact CD1-CD1 3.57Å; I97-F112 HydrophobicContact CD1-CD2 3.92Å; I97-F112 HydrophobicContact CD1-CE1 3.75Å; I97-F112 HydrophobicContact CD1-CE2 4.05Å; I97-F112 HydrophobicContact CD1-CG 3.68Å; I97-F112 HydrophobicContact CD1-CZ 3.99Å; I97-F112 HydrophobicContact CG1-CD1 4.03Å; I97-F112 HydrophobicContact CG1-CE1 4.1Å; A110-F112 HydrophobicContact CB-CD2 4.24Å; A110-F112 HydrophobicContact CB-CE2 3.62Å; A110-F112 HydrophobicContact CB-CZ 4.3Å; F112-N115 PolarHBondContact O-ND2 3.43Å; F112-L117 HydrophobicContact CB-CD1 3.83Å; F112-F124 HydrophobicContact CD2-CZ 4.39Å; F112-F124 AromaticContact CE2-CE2 3.77Å; F112-F124 HydrophobicContact CE2-CE2 3.77Å; F112-F124 AromaticContact CE2-CZ 3.78Å; F112-F124 HydrophobicContact CE2-CZ 3.78Å; F112-F124 HydrophobicContact CZ-CE2 4.26Å; F112-L133 HydrophobicContact CD2-CD1 4.18Å; F112-L133 HydrophobicContact CE2-CD1 4.38Å; F112-S134 PolarHBondContact N-O 3.25Å; F112-V135 HydrophobicContact CB-CG1 4.09Å; F112-V135 HydrophobicContact CD2-CG1 4.24Å; F112-I138 WeakPolarHBondContact O-CG2 3.17Å
113	S	96.1	Very high	95.2	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.035	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	152	-172.1	-54	0	0	0	0	112.9	S90 R91 D111 N115 N136	S90-S113 CarbonylContact C-O 3.57Å; S90-S113 WeakPolarHBondContact CA-O 3.37Å; S90-S113 VanDerWaalsContact CB-O 3.32Å; S90-S113 WeakPolarHBondContact CB-O 3.44Å; R91-S113 PolarHBondContact N-O 2.85Å; D111-S113 WeakPolarHBondContact OD1-CB 3.45Å; D111-S113 PolarHBondContact OD1-N 3.25Å; D111-S113 PolarHBondContact OD1-OG 3.49Å; S113-N115 VanDerWaalsContact C-N 3.29Å; S113-N115 PolarHBondContact O-N 3.37Å; S113-N115 PolarHBondContact O-ND2 3.08Å; S113-N136 CarbonylContact C-O 3.6Å; S113-N136 WeakPolarHBondContact CA-O 3.39Å; S113-N136 WeakPolarHBondContact CB-O 3.24Å; S113-N136 PolarHBondContact OG-N 3.03Å
114	G	94.1	Very high	95.1	Very high	14 Å²	14	37.1 Å²	37.1	14%	0.144	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	31.2	175.7	0	0	0	0	0	114	R91 N92 N136	R91-G114 WeakPolarHBondContact CA-O 3.48Å; N92-G114 PolarHBondContact N-O 2.93Å; G114-N136 PolarHBondContact N-O 2.75Å
115	N	94.1	Very high	95.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.011	19%	0.191	C	C	.	.	S	Bend	trans	-113.8	152.9	169.9	-79.3	-83.2	0	0	0	109.8	V89 N92 I94 F112 S113 L117 I138	V89-N115 PolarHBondContact O-ND2 3.48Å; N92-N115 WeakPolarHBondContact CA-OD1 3.28Å; N92-N115 WeakPolarHBondContact CB-OD1 3.06Å; N92-N115 PolarHBondContact N-OD1 3.25Å; N92-N115 PolarHBondContact O-OD1 3.35Å; I94-N115 HydrophobicContact CB-CB 4.44Å; I94-N115 VanDerWaalsContact CB-OD1 3.32Å; I94-N115 WeakPolarHBondContact CB-OD1 3.11Å; I94-N115 WeakPolarHBondContact CG1-OD1 3.49Å; I94-N115 PolarHBondContact N-OD1 3.03Å; F112-N115 PolarHBondContact O-ND2 3.43Å; S113-N115 VanDerWaalsContact C-N 3.29Å; S113-N115 PolarHBondContact O-N 3.37Å; S113-N115 PolarHBondContact O-ND2 3.08Å; N115-L117 HydrophobicContact CB-CD1 4.01Å; N115-L117 HydrophobicContact CB-CG 3.76Å; N115-L117 PolarHBondContact O-N 2.76Å; N115-I138 WeakPolarHBondContact O-CA 3.46Å; N115-I138 WeakPolarHBondContact O-CB 3.42Å; N115-I138 WeakPolarHBondContact O-CG2 3.21Å
116	P	92.1	Very high	95.2	Very high	49 Å²	49	35.8 Å²	35.8	32%	0.318	19%	0.187	S	C	.	.			trans	-74.9	48.9	177.1	32.5	-36.8	0	0	0	113.7	I94	I94-P116 VanDerWaalsContact O-CD 3.3Å; I94-P116 WeakPolarHBondContact O-CD 3.2Å
117	L	90.4	Very high	95.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.177	C	C	.	.			trans	-89.1	110.4	-176	-57.6	168.6	0	0	0	112.7	I94 I97 F112 N115 R119 I138	I94-L117 HydrophobicContact CG2-CD2 4.09Å; I94-L117 WeakPolarHBondContact O-CD2 3.18Å; I97-L117 HydrophobicContact CD1-CD1 3.85Å; I97-L117 HydrophobicContact CG1-CD1 3.95Å; I97-L117 HydrophobicContact CG1-CD2 3.97Å; F112-L117 HydrophobicContact CB-CD1 3.83Å; N115-L117 HydrophobicContact CB-CD1 4.01Å; N115-L117 HydrophobicContact CB-CG 3.76Å; N115-L117 PolarHBondContact O-N 2.76Å; L117-R119 PolarHBondContact O-N 3.14Å; L117-I138 CarbonylContact C-O 3.19Å; L117-I138 VanDerWaalsContact C-O 3.24Å; L117-I138 HydrophobicContact CB-CB 3.92Å; L117-I138 HydrophobicContact CB-CD1 3.86Å; L117-I138 HydrophobicContact CB-CG1 4.33Å; L117-I138 HydrophobicContact CB-CG2 4.44Å; L117-I138 HydrophobicContact CD1-CD1 4.28Å; L117-I138 HydrophobicContact CD1-CG2 4.32Å; L117-I138 PolarHBondContact N-O 3.03Å; L117-I138 CarbonylContact O-C 3.2Å; L117-I138 WeakPolarHBondContact O-CG1 3.48Å
118	T	87.2	Confident	95	Very high	73 Å²	73	38.5 Å²	38.5	45%	0.448	20%	0.195	S	C	.	.			trans	-78.7	-19.8	-179.2	56.6	0	0	0	0	114.8
119	R	93.1	Very high	95	Very high	129 Å²	129	37.9 Å²	37.9	49%	0.487	20%	0.195	S	C	.	.			trans	-154.2	156.4	-177.2	60.9	177.4	-78.5	-178.5	-3.8	112.3	L117 E122	L117-R119 PolarHBondContact O-N 3.14Å; R119-E122 IonicContact NH2-OE1 3.38Å
120	L	95.5	Very high	95	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	18%	0.18	C	C	.	.			trans	-86.3	149.6	160.9	-61.5	177.5	0	0	0	110.2	I97 F124 V135 L140 P144	I97-L120 HydrophobicContact CD1-CD2 3.94Å; L120-F124 HydrophobicContact CB-CB 4.38Å; L120-F124 HydrophobicContact CB-CG 4.42Å; L120-F124 HydrophobicContact CD1-CD1 4.35Å; L120-F124 HydrophobicContact CD2-CD2 4.41Å; L120-F124 HydrophobicContact CD2-CE2 4.35Å; L120-V135 HydrophobicContact CD2-CG1 4.12Å; L120-L140 HydrophobicContact CG-CD1 4.41Å; L120-P144 HydrophobicContact CB-CG 4Å
121	P	95	Very high	95	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.032	19%	0.194	C	C	.	.			trans	-66.9	156	175.5	21.4	-26.2	0	0	0	111.8	I97 E99 I101 S123 F124	I97-P121 HydrophobicContact CB-CG 4.2Å; I97-P121 HydrophobicContact CG2-CG 4.06Å; E99-P121 HydrophobicContact CG-CB 4.24Å; E99-P121 WeakPolarHBondContact OE1-CA 3.48Å; E99-P121 WeakPolarHBondContact OE1-CB 3.47Å; I101-P121 HydrophobicContact CG2-CG 4.02Å; P121-S123 VanDerWaalsContact C-N 3.26Å; P121-S123 PolarHBondContact O-N 3.37Å; P121-F124 HydrophobicContact CG-CB 3.96Å; P121-F124 HydrophobicContact CG-CD2 3.91Å; P121-F124 HydrophobicContact CG-CG 4.43Å; P121-F124 WeakPolarHBondContact O-CB 3.27Å; P121-F124 PolarHBondContact O-N 2.87Å; P121-F124 VanDerWaalsContact O-N 3.11Å
122	E	92.9	Very high	95	Very high	140 Å²	140	36.6 Å²	36.6	65%	0.654	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.6	-178.2	-74.4	179	-164.2	0	0	112.2	E99 R119 F124 P125	E99-E122 PolarHBondContact OE1-N 2.98Å; E99-E122 PolarHBondContact OE2-N 2.92Å; R119-E122 IonicContact NH2-OE1 3.38Å; E122-F124 VanDerWaalsContact C-N 3.26Å; E122-F124 PolarHBondContact O-N 2.87Å; E122-P125 WeakPolarHBondContact O-CD 3.13Å
123	S	94.9	Very high	95	Very high	15 Å²	15	36.5 Å²	36.5	11%	0.105	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.9	174.3	74.7	0	0	0	0	113.8	E99 P121 P125 E126	E99-S123 PolarHBondContact O-OG 2.68Å; E99-S123 WeakPolarHBondContact OE2-CB 3.33Å; E99-S123 PolarHBondContact OE2-N 3.05Å; E99-S123 PolarHBondContact OE2-OG 2.94Å; P121-S123 VanDerWaalsContact C-N 3.26Å; P121-S123 PolarHBondContact O-N 3.37Å; S123-P125 VanDerWaalsContact C-N 3.33Å; S123-E126 WeakPolarHBondContact O-CB 3.47Å; S123-E126 VanDerWaalsContact O-CG 3.27Å; S123-E126 WeakPolarHBondContact O-CG 3.33Å; S123-E126 PolarHBondContact O-N 2.93Å
124	F	95.5	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55.5	-41.8	-173.1	-161.1	-86.9	0	0	0	113.1	I97 I101 F112 L120 P121 E122 E126 L127 L130 L133	I97-F124 HydrophobicContact CD1-CE2 4.2Å; I101-F124 HydrophobicContact CG2-CD2 4.06Å; F112-F124 HydrophobicContact CD2-CZ 4.39Å; F112-F124 AromaticContact CE2-CE2 3.77Å; F112-F124 HydrophobicContact CE2-CE2 3.77Å; F112-F124 AromaticContact CE2-CZ 3.78Å; F112-F124 HydrophobicContact CE2-CZ 3.78Å; F112-F124 HydrophobicContact CZ-CE2 4.26Å; L120-F124 HydrophobicContact CB-CB 4.38Å; L120-F124 HydrophobicContact CB-CG 4.42Å; L120-F124 HydrophobicContact CD1-CD1 4.35Å; L120-F124 HydrophobicContact CD2-CD2 4.41Å; L120-F124 HydrophobicContact CD2-CE2 4.35Å; P121-F124 HydrophobicContact CG-CB 3.96Å; P121-F124 HydrophobicContact CG-CD2 3.91Å; P121-F124 HydrophobicContact CG-CG 4.43Å; P121-F124 WeakPolarHBondContact O-CB 3.27Å; P121-F124 PolarHBondContact O-N 2.87Å; P121-F124 VanDerWaalsContact O-N 3.11Å; E122-F124 VanDerWaalsContact C-N 3.26Å; E122-F124 PolarHBondContact O-N 2.87Å; F124-E126 PolarHBondContact O-N 2.62Å; F124-L127 HydrophobicContact CD1-CD1 4.48Å; F124-L127 HydrophobicContact CD2-CD1 4.2Å; F124-L127 HydrophobicContact CE1-CD1 4.31Å; F124-L127 HydrophobicContact CE2-CD1 4.05Å; F124-L127 HydrophobicContact CG-CD1 4.42Å; F124-L127 HydrophobicContact CZ-CD1 4.1Å; F124-L127 WeakPolarHBondContact O-CB 3.47Å; F124-L127 WeakPolarHBondContact O-CG 3.25Å; F124-L127 PolarHBondContact O-N 2.85Å; F124-L127 VanDerWaalsContact O-N 3.09Å; F124-L130 HydrophobicContact CE1-CD1 3.83Å; F124-L130 HydrophobicContact CZ-CD1 4.24Å; F124-L133 HydrophobicContact CE1-CD1 3.89Å; F124-L133 HydrophobicContact CE1-CD2 3.67Å; F124-L133 HydrophobicContact CE1-CG 4.45Å; F124-L133 HydrophobicContact CZ-CD1 3.67Å; F124-L133 HydrophobicContact CZ-CD2 4.29Å
125	P	95.4	Very high	95.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-69.3	3.9	177.8	-22.5	39	0	0	0	115.3	E122 S123 L127 P144 N146 I147 N149 L150	E122-P125 WeakPolarHBondContact O-CD 3.13Å; S123-P125 VanDerWaalsContact C-N 3.33Å; P125-L127 VanDerWaalsContact C-N 3.28Å; P125-P144 HydrophobicContact CG-CB 4.01Å; P125-P144 HydrophobicContact CG-CG 4.35Å; P125-N146 WeakPolarHBondContact CB-O 3.42Å; P125-N146 WeakPolarHBondContact CG-OD1 3.33Å; P125-I147 HydrophobicContact CG-CD1 4.44Å; P125-N149 HydrophobicContact CB-CB 3.91Å; P125-N149 WeakPolarHBondContact O-CB 3.46Å; P125-L150 HydrophobicContact CB-CG 4.41Å
126	E	95.9	Very high	95.2	Very high	106 Å²	106	36.1 Å²	36.1	50%	0.495	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-77	-13.4	167.4	-62.8	-178.4	-177.8	0	0	113.1	S102 S123 F124 Q128	S102-E126 WeakPolarHBondContact CB-OE2 3.42Å; S102-E126 PolarHBondContact OG-OE2 3.4Å; S123-E126 WeakPolarHBondContact O-CB 3.47Å; S123-E126 VanDerWaalsContact O-CG 3.27Å; S123-E126 WeakPolarHBondContact O-CG 3.33Å; S123-E126 PolarHBondContact O-N 2.93Å; F124-E126 PolarHBondContact O-N 2.62Å; E126-Q128 PolarHBondContact O-N 2.92Å
127	L	96.9	Very high	95.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.169	C	C	.	.			trans	-75.2	58.1	176.3	-64.7	172	0	0	0	111.8	I101 C104 L107 F124 P125 N129 L130 L150	I101-L127 HydrophobicContact CG1-CD1 4.25Å; I101-L127 HydrophobicContact CG2-CD1 4.48Å; I101-L127 WeakPolarHBondContact O-CD2 3.38Å; C104-L127 HydrophobicContact CB-CD2 4.37Å; C104-L127 WeakPolarHBondContact O-CD2 3.32Å; L107-L127 HydrophobicContact CB-CD2 4.49Å; L107-L127 HydrophobicContact CD2-CD1 4.22Å; F124-L127 HydrophobicContact CD1-CD1 4.48Å; F124-L127 HydrophobicContact CD2-CD1 4.2Å; F124-L127 HydrophobicContact CE1-CD1 4.31Å; F124-L127 HydrophobicContact CE2-CD1 4.05Å; F124-L127 HydrophobicContact CG-CD1 4.42Å; F124-L127 HydrophobicContact CZ-CD1 4.1Å; F124-L127 WeakPolarHBondContact O-CB 3.47Å; F124-L127 WeakPolarHBondContact O-CG 3.25Å; F124-L127 PolarHBondContact O-N 2.85Å; F124-L127 VanDerWaalsContact O-N 3.09Å; P125-L127 VanDerWaalsContact C-N 3.28Å; L127-N129 PolarHBondContact O-N 3.46Å; L127-L130 HydrophobicContact CB-CD1 3.54Å; L127-L130 HydrophobicContact CB-CG 3.83Å; L127-L130 HydrophobicContact CD1-CD1 3.95Å; L127-L130 HydrophobicContact CG-CD1 4.4Å; L127-L130 WeakPolarHBondContact O-CB 3.43Å; L127-L130 WeakPolarHBondContact O-CG 3.22Å; L127-L130 PolarHBondContact O-N 3.26Å; L127-L150 HydrophobicContact CB-CD2 4.31Å; L127-L150 VanDerWaalsContact O-CD2 3.28Å; L127-L150 WeakPolarHBondContact O-CD2 3.32Å
128	Q	96.1	Very high	95.3	Very high	82 Å²	82	34 Å²	34	38%	0.383	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.2	-169.2	-66.4	175.6	10.4	0	0	114.7	E126 L130 Y151 N152	E126-Q128 PolarHBondContact O-N 2.92Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-Y151 HydrophobicContact CB-CE1 3.73Å; Q128-Y151 HydrophobicContact CG-CD1 4.49Å; Q128-Y151 HydrophobicContact CG-CE1 3.71Å; Q128-Y151 PolarHBondContact OE1-OH 2.93Å; Q128-N152 WeakPolarHBondContact O-CB 3.46Å; Q128-N152 PolarHBondContact O-ND2 3.46Å
129	N	97.6	Very high	95.5	Very high	73 Å²	73	30.8 Å²	30.8	39%	0.39	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.6	175.4	-74.4	-23.3	0	0	0	113.2	K105 L107 Q108 L127 T131	K105-N129 PolarHBondContact O-ND2 3.04Å; L107-N129 CarbonylContact O-C 3.13Å; L107-N129 WeakPolarHBondContact O-CB 3.5Å; Q108-N129 WeakPolarHBondContact CA-O 3.35Å; Q108-N129 WeakPolarHBondContact CG-O 3.48Å; L127-N129 PolarHBondContact O-N 3.46Å; N129-T131 PolarHBondContact O-N 3.47Å
130	L	98.3	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.			trans	-58.9	132.5	175.9	-78.7	173.7	0	0	0	110.8	L107 A110 F124 L127 Q128 L150 N152 L153	L107-L130 HydrophobicContact CB-CD2 4.37Å; L107-L130 HydrophobicContact CD2-CD2 4.1Å; L107-L130 HydrophobicContact CG-CD2 3.92Å; L107-L130 PolarHBondContact O-N 3.16Å; L107-L130 VanDerWaalsContact O-N 3.14Å; A110-L130 HydrophobicContact CB-CD2 3.91Å; F124-L130 HydrophobicContact CE1-CD1 3.83Å; F124-L130 HydrophobicContact CZ-CD1 4.24Å; L127-L130 HydrophobicContact CB-CD1 3.54Å; L127-L130 HydrophobicContact CB-CG 3.83Å; L127-L130 HydrophobicContact CD1-CD1 3.95Å; L127-L130 HydrophobicContact CG-CD1 4.4Å; L127-L130 WeakPolarHBondContact O-CB 3.43Å; L127-L130 WeakPolarHBondContact O-CG 3.22Å; L127-L130 PolarHBondContact O-N 3.26Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; L130-L150 HydrophobicContact CB-CD2 4.44Å; L130-L150 HydrophobicContact CD1-CD1 4.39Å; L130-L150 HydrophobicContact CD1-CD2 4.14Å; L130-N152 CarbonylContact O-C 3.54Å; L130-L153 HydrophobicContact CB-CD1 4.05Å; L130-L153 WeakPolarHBondContact O-CA 3.34Å; L130-L153 PolarHBondContact O-N 3.16Å; L130-L153 VanDerWaalsContact O-N 3.15Å
131	T	98.3	Very high	95.3	Very high	51 Å²	51	29.2 Å²	29.2	31%	0.313	15%	0.147	S	C	.	.	S	Bend	trans	-117.8	-32	177.5	62.2	0	0	0	0	111.1	Q108 N129 A154 S155	Q108-T131 PolarHBondContact O-N 3.26Å; Q108-T131 PolarHBondContact O-OG1 3.34Å; N129-T131 PolarHBondContact O-N 3.47Å; T131-A154 WeakPolarHBondContact O-CA 3.48Å; T131-A154 PolarHBondContact O-N 2.74Å; T131-S155 PolarHBondContact O-N 2.86Å
132	C	98.4	Very high	95.3	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.088	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.7	176.3	-177.7	0	0	0	0	109.3	Q108 V109 A110 S155 R478	Q108-C132 PolarHBondContact O-N 3.03Å; V109-C132 WeakPolarHBondContact CA-O 3.35Å; V109-C132 HydrophobicContact CG1-CB 4.26Å; V109-C132 HydrophobicContact CG2-CB 4.33Å; A110-C132 PolarHBondContact N-O 3.05Å; A110-C132 VanDerWaalsContact N-O 3.08Å; C132-S155 WeakPolarHBondContact CA-O 3.45Å; C132-R478 PolarHBondContact SG-NH1 2.82Å
133	L	98.1	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.6	176.1	176.6	62.7	0	0	0	109.2	A110 F112 F124 V135 L150 L153 S155 L156 E157	A110-L133 HydrophobicContact CB-CD1 4.17Å; A110-L133 WeakPolarHBondContact O-CA 3.49Å; F112-L133 HydrophobicContact CD2-CD1 4.18Å; F112-L133 HydrophobicContact CE2-CD1 4.38Å; F124-L133 HydrophobicContact CE1-CD1 3.89Å; F124-L133 HydrophobicContact CE1-CD2 3.67Å; F124-L133 HydrophobicContact CE1-CG 4.45Å; F124-L133 HydrophobicContact CZ-CD1 3.67Å; F124-L133 HydrophobicContact CZ-CD2 4.29Å; L133-V135 HydrophobicContact CD1-CG1 3.99Å; L133-V135 HydrophobicContact CG-CG1 4.28Å; L133-V135 HydrophobicContact CG-CG2 4.41Å; L133-L150 HydrophobicContact CD2-CD1 4.4Å; L133-L153 HydrophobicContact CB-CD1 3.92Å; L133-S155 PolarHBondContact N-O 2.81Å; L133-L156 HydrophobicContact CB-CD1 4.17Å; L133-L156 HydrophobicContact CD2-CD1 3.86Å; L133-L156 HydrophobicContact CG-CD1 4.16Å; L133-E157 PolarHBondContact O-N 3.4Å
134	S	97.3	Very high	95.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.6	174	-64.9	0	0	0	0	110	A110 D111 F112 E157	A110-S134 PolarHBondContact O-N 2.96Å; D111-S134 WeakPolarHBondContact CA-O 3.23Å; D111-S134 WeakPolarHBondContact OD1-CB 3.28Å; F112-S134 PolarHBondContact N-O 3.25Å; S134-E157 PolarHBondContact OG-OE2 2.93Å
135	V	95.8	Very high	95.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.			trans	-137.9	47	-179.6	-77.3	0	0	0	0	108.7	F112 L120 L133 I138 E157 L158 N161	F112-V135 HydrophobicContact CB-CG1 4.09Å; F112-V135 HydrophobicContact CD2-CG1 4.24Å; L120-V135 HydrophobicContact CD2-CG1 4.12Å; L133-V135 HydrophobicContact CD1-CG1 3.99Å; L133-V135 HydrophobicContact CG-CG1 4.28Å; L133-V135 HydrophobicContact CG-CG2 4.41Å; V135-I138 HydrophobicContact CB-CD1 3.88Å; V135-I138 HydrophobicContact CG1-CD1 4.26Å; V135-E157 VanDerWaalsContact CG2-O 3.25Å; V135-E157 WeakPolarHBondContact CG2-O 3.42Å; V135-E157 PolarHBondContact N-O 3.14Å; V135-L158 HydrophobicContact CG2-CD2 3.27Å; V135-L158 HydrophobicContact CG2-CG 4.01Å; V135-N161 PolarHBondContact O-ND2 3.26Å
136	N	94.6	Very high	95.3	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	144.8	-179	-58.5	-52.6	0	0	0	110.9	S113 G114 I138 E157 L158 R159	S113-N136 CarbonylContact C-O 3.6Å; S113-N136 WeakPolarHBondContact CA-O 3.39Å; S113-N136 WeakPolarHBondContact CB-O 3.24Å; S113-N136 PolarHBondContact OG-N 3.03Å; G114-N136 PolarHBondContact N-O 2.75Å; N136-I138 WeakPolarHBondContact O-CG2 3.46Å; N136-I138 PolarHBondContact O-N 2.68Å; N136-E157 PolarHBondContact ND2-OE2 3.42Å; N136-E157 VanDerWaalsContact OD1-C 3.26Å; N136-E157 WeakPolarHBondContact OD1-CB 3.3Å; N136-E157 PolarHBondContact OD1-O 3.49Å; N136-L158 PolarHBondContact OD1-N 3.42Å; N136-R159 CarbonylContact C-O 3.15Å; N136-R159 VanDerWaalsContact CA-O 3.27Å; N136-R159 WeakPolarHBondContact CA-O 3.36Å; N136-R159 HydrophobicContact CB-CB 4.46Å; N136-R159 WeakPolarHBondContact OD1-CB 3.28Å; N136-R159 PolarHBondContact OD1-N 3.5Å
137	D	92.5	Very high	95.3	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.032	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	48.6	175	-174.1	44.6	0	0	0	114.3	R159 E160 H482 K490	D137-R159 PolarHBondContact N-O 3.11Å; D137-E160 WeakPolarHBondContact CA-O 3.44Å; D137-E160 HydrophobicContact CB-CB 3.95Å; D137-H482 IonicContact OD2-CD2 3.32Å; D137-H482 PolarHBondContact OD2-CD2 3.14Å; D137-H482 IonicContact OD2-NE2 2.7Å; D137-K490 PolarHBondContact O-NZ 2.99Å; D137-K490 IonicContact OD1-NZ 3.06Å; D137-K490 PolarHBondContact OD1-NZ 3.04Å; D137-K490 IonicContact OD2-NZ 2.67Å; D137-K490 PolarHBondContact OD2-NZ 2.66Å
138	I	91.8	Very high	95.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-108.3	-4	175.3	69.7	168.8	0	0	0	114	F112 N115 L117 V135 N136 L140 N161	F112-I138 WeakPolarHBondContact O-CG2 3.17Å; N115-I138 WeakPolarHBondContact O-CA 3.46Å; N115-I138 WeakPolarHBondContact O-CB 3.42Å; N115-I138 WeakPolarHBondContact O-CG2 3.21Å; L117-I138 CarbonylContact C-O 3.19Å; L117-I138 VanDerWaalsContact C-O 3.24Å; L117-I138 HydrophobicContact CB-CB 3.92Å; L117-I138 HydrophobicContact CB-CD1 3.86Å; L117-I138 HydrophobicContact CB-CG1 4.33Å; L117-I138 HydrophobicContact CB-CG2 4.44Å; L117-I138 HydrophobicContact CD1-CD1 4.28Å; L117-I138 HydrophobicContact CD1-CG2 4.32Å; L117-I138 PolarHBondContact N-O 3.03Å; L117-I138 CarbonylContact O-C 3.2Å; L117-I138 WeakPolarHBondContact O-CG1 3.48Å; V135-I138 HydrophobicContact CB-CD1 3.88Å; V135-I138 HydrophobicContact CG1-CD1 4.26Å; N136-I138 WeakPolarHBondContact O-CG2 3.46Å; N136-I138 PolarHBondContact O-N 2.68Å; I138-L140 VanDerWaalsContact C-N 3.32Å; I138-L140 HydrophobicContact CD1-CB 3.98Å; I138-L140 HydrophobicContact CD1-CD1 4.26Å; I138-L140 HydrophobicContact CD1-CD2 4.46Å; I138-L140 HydrophobicContact CD1-CG 4.47Å; I138-L140 HydrophobicContact CG1-CB 3.78Å; I138-N161 WeakPolarHBondContact CG1-OD1 3.49Å; I138-N161 PolarHBondContact N-OD1 3.38Å
139	S	90.8	Very high	95.3	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.042	15%	0.152	C	C	.	.			trans	66.1	34.1	-172.4	-49.6	0	0	0	0	112.9	Q141 N161 K490 E494	S139-Q141 PolarHBondContact O-N 2.81Å; S139-N161 PolarHBondContact N-OD1 3.35Å; S139-K490 WeakPolarHBondContact OG-CE 3.24Å; S139-E494 WeakPolarHBondContact CB-OE1 3.43Å; S139-E494 WeakPolarHBondContact CB-OE2 3.4Å; S139-E494 PolarHBondContact OG-OE1 3.04Å; S139-E494 PolarHBondContact OG-OE2 3.03Å
140	L	93.9	Very high	95.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.			trans	-63.3	125.5	176.8	-170.6	63.7	0	0	0	110.8	L120 I138 S142 L143 L158 N161 L162 L163	L120-L140 HydrophobicContact CG-CD1 4.41Å; I138-L140 VanDerWaalsContact C-N 3.32Å; I138-L140 HydrophobicContact CD1-CB 3.98Å; I138-L140 HydrophobicContact CD1-CD1 4.26Å; I138-L140 HydrophobicContact CD1-CD2 4.46Å; I138-L140 HydrophobicContact CD1-CG 4.47Å; I138-L140 HydrophobicContact CG1-CB 3.78Å; L140-S142 WeakPolarHBondContact CD1-O 3.47Å; L140-S142 WeakPolarHBondContact CG-O 3.4Å; L140-L143 HydrophobicContact CD2-CD2 3.95Å; L140-L158 HydrophobicContact CD2-CD2 3.67Å; L140-N161 HydrophobicContact CB-CB 3.99Å; L140-N161 WeakPolarHBondContact CB-OD1 3.25Å; L140-N161 PolarHBondContact N-OD1 3.37Å; L140-L162 CarbonylContact O-C 3.58Å; L140-L162 VanDerWaalsContact O-C 3.25Å; L140-L162 WeakPolarHBondContact O-CA 3.44Å; L140-L162 PolarHBondContact O-N 3.35Å; L140-L163 HydrophobicContact CD2-CD2 4.15Å; L140-L163 HydrophobicContact CG-CD2 4.07Å; L140-L163 PolarHBondContact O-N 3.31Å
141	Q	92.3	Very high	95.1	Very high	103 Å²	103	29.8 Å²	29.8	48%	0.481	15%	0.154	S	C	.	.			trans	-92.1	-32.3	-178.7	-63.7	178.8	22.5	0	0	113.2	S139	S139-Q141 PolarHBondContact O-N 2.81Å
142	S	94.7	Very high	95	Very high	51 Å²	51	28.6 Å²	28.6	36%	0.357	15%	0.145	S	C	.	.			trans	-151.4	153.5	177.7	61.2	0	0	0	0	111.5	L140	L140-S142 WeakPolarHBondContact CD1-O 3.47Å; L140-S142 WeakPolarHBondContact CG-O 3.4Å
143	L	95.4	Very high	95	Very high	4 Å²	4	28 Å²	28	2%	0.021	14%	0.141	C	C	.	.			trans	-84.9	151.5	167.3	-71.4	169.3	0	0	0	110.2	L140 L158 L163 L166 P167 L170	L140-L143 HydrophobicContact CD2-CD2 3.95Å; L143-L158 HydrophobicContact CD1-CD1 3.85Å; L143-L158 HydrophobicContact CD2-CD1 4.04Å; L143-L158 HydrophobicContact CD2-CD2 3.72Å; L143-L158 HydrophobicContact CG-CD1 4.39Å; L143-L163 HydrophobicContact CG-CD2 4.31Å; L143-L166 HydrophobicContact CD1-CD2 4.26Å; L143-P167 HydrophobicContact CB-CG 3.97Å; L143-L170 HydrophobicContact CD1-CD1 4.42Å
144	P	94.7	Very high	95	Very high	19 Å²	19	29.6 Å²	29.6	12%	0.123	15%	0.154	C	C	.	.			trans	-56.4	138.1	169.1	-23.4	33.3	0	0	0	111.9	L120 P125 N146 I147	L120-P144 HydrophobicContact CB-CG 4Å; P125-P144 HydrophobicContact CG-CB 4.01Å; P125-P144 HydrophobicContact CG-CG 4.35Å; P144-N146 WeakPolarHBondContact CB-OD1 3.26Å; P144-N146 PolarHBondContact O-N 3.46Å; P144-I147 WeakPolarHBondContact O-CB 3.42Å; P144-I147 PolarHBondContact O-N 3.08Å
145	E	93.1	Very high	95	Very high	121 Å²	121	29.9 Å²	29.9	57%	0.565	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.2	-179.5	-70.6	-61.2	152.5	0	0	113.4	S169	E145-S169 WeakPolarHBondContact O-CB 3.27Å; E145-S169 PolarHBondContact O-OG 3.43Å
146	N	94.6	Very high	95.1	Very high	60 Å²	60	29.9 Å²	29.9	32%	0.321	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	18.7	178.6	61.4	-25.2	0	0	0	113.5	P125 P144 G148 N149	P125-N146 WeakPolarHBondContact CB-O 3.42Å; P125-N146 WeakPolarHBondContact CG-OD1 3.33Å; P144-N146 WeakPolarHBondContact CB-OD1 3.26Å; P144-N146 PolarHBondContact O-N 3.46Å; N146-G148 PolarHBondContact O-N 3.34Å; N146-N149 WeakPolarHBondContact O-CB 3.49Å; N146-N149 PolarHBondContact O-N 3.36Å
147	I	96.3	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-53.9	-29.6	178.6	-165.9	65.1	0	0	0	112.7	P125 P144 N149 L150 P167 S169 L170	P125-I147 HydrophobicContact CG-CD1 4.44Å; P144-I147 WeakPolarHBondContact O-CB 3.42Å; P144-I147 PolarHBondContact O-N 3.08Å; I147-N149 PolarHBondContact O-N 2.91Å; I147-L150 HydrophobicContact CD1-CD1 3.61Å; I147-L150 HydrophobicContact CD1-CG 4.43Å; I147-L150 HydrophobicContact CG1-CD1 4.41Å; I147-L150 PolarHBondContact O-N 2.62Å; I147-L150 VanDerWaalsContact O-N 3.09Å; I147-P167 HydrophobicContact CG2-CG 3.68Å; I147-S169 PolarHBondContact N-OG 3.46Å; I147-L170 HydrophobicContact CG2-CD1 4.2Å
148	G	95.4	Very high	95.5	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-54.5	-18.8	172.7	0	0	0	0	0	116.3	N146 L150 S169 Q172	N146-G148 PolarHBondContact O-N 3.34Å; G148-L150 PolarHBondContact O-N 2.92Å; G148-S169 WeakPolarHBondContact CA-O 3.2Å; G148-S169 PolarHBondContact N-OG 2.77Å; G148-Q172 WeakPolarHBondContact O-CB 3.37Å
149	N	96.8	Very high	95.6	Very high	69 Å²	69	31 Å²	31	37%	0.369	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-68	-13.8	175.7	-72.5	-12.8	0	0	0	113.4	P125 N146 I147 Y151	P125-N149 HydrophobicContact CB-CB 3.91Å; P125-N149 WeakPolarHBondContact O-CB 3.46Å; N146-N149 WeakPolarHBondContact O-CB 3.49Å; N146-N149 PolarHBondContact O-N 3.36Å; I147-N149 PolarHBondContact O-N 2.91Å; N149-Y151 WeakPolarHBondContact O-CD1 3.42Å; N149-Y151 PolarHBondContact O-N 3.32Å
150	L	96.9	Very high	95.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.			trans	-76.8	55	171.8	-58.7	179.5	0	0	0	111.1	P125 L127 L130 L133 I147 G148 N152 L153 L173	P125-L150 HydrophobicContact CB-CG 4.41Å; L127-L150 HydrophobicContact CB-CD2 4.31Å; L127-L150 VanDerWaalsContact O-CD2 3.28Å; L127-L150 WeakPolarHBondContact O-CD2 3.32Å; L130-L150 HydrophobicContact CB-CD2 4.44Å; L130-L150 HydrophobicContact CD1-CD1 4.39Å; L130-L150 HydrophobicContact CD1-CD2 4.14Å; L133-L150 HydrophobicContact CD2-CD1 4.4Å; I147-L150 HydrophobicContact CD1-CD1 3.61Å; I147-L150 HydrophobicContact CD1-CG 4.43Å; I147-L150 HydrophobicContact CG1-CD1 4.41Å; I147-L150 PolarHBondContact O-N 2.62Å; I147-L150 VanDerWaalsContact O-N 3.09Å; G148-L150 PolarHBondContact O-N 2.92Å; L150-N152 PolarHBondContact O-N 2.79Å; L150-L153 HydrophobicContact CB-CB 4.1Å; L150-L153 HydrophobicContact CB-CD2 4.43Å; L150-L153 HydrophobicContact CD1-CD2 4.27Å; L150-L153 WeakPolarHBondContact O-CB 3.39Å; L150-L153 PolarHBondContact O-N 3.05Å; L150-L173 HydrophobicContact CB-CD2 3.91Å; L150-L173 WeakPolarHBondContact O-CD2 3.28Å
151	Y	94.6	Very high	95.8	Very high	109 Å²	109	31.1 Å²	31.1	43%	0.427	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.2	-170.3	57.4	-97.8	0	0	0	115.3	Q128 N149	Q128-Y151 HydrophobicContact CB-CE1 3.73Å; Q128-Y151 HydrophobicContact CG-CD1 4.49Å; Q128-Y151 HydrophobicContact CG-CE1 3.71Å; Q128-Y151 PolarHBondContact OE1-OH 2.93Å; N149-Y151 WeakPolarHBondContact O-CD1 3.42Å; N149-Y151 PolarHBondContact O-N 3.32Å
152	N	96.9	Very high	96	Very high	26 Å²	26	27.4 Å²	27.4	14%	0.139	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-4.4	173.5	-70.3	-43.7	0	0	0	113.7	Q128 L130 L150 A154 R175	Q128-N152 WeakPolarHBondContact O-CB 3.46Å; Q128-N152 PolarHBondContact O-ND2 3.46Å; L130-N152 CarbonylContact O-C 3.54Å; L150-N152 PolarHBondContact O-N 2.79Å; N152-A154 PolarHBondContact O-N 3.4Å; N152-R175 PolarHBondContact OD1-NH1 2.76Å
153	L	98.3	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.			trans	-65	126.1	-176.2	-159.2	70.5	0	0	0	110.3	L130 L133 L150 L156 L173 R175 L176	L130-L153 HydrophobicContact CB-CD1 4.05Å; L130-L153 WeakPolarHBondContact O-CA 3.34Å; L130-L153 PolarHBondContact O-N 3.16Å; L130-L153 VanDerWaalsContact O-N 3.15Å; L133-L153 HydrophobicContact CB-CD1 3.92Å; L150-L153 HydrophobicContact CB-CB 4.1Å; L150-L153 HydrophobicContact CB-CD2 4.43Å; L150-L153 HydrophobicContact CD1-CD2 4.27Å; L150-L153 WeakPolarHBondContact O-CB 3.39Å; L150-L153 PolarHBondContact O-N 3.05Å; L153-L156 HydrophobicContact CD2-CB 3.8Å; L153-L156 HydrophobicContact CD2-CD1 4.12Å; L153-L156 HydrophobicContact CD2-CD2 4.15Å; L153-L156 HydrophobicContact CD2-CG 4.24Å; L153-L173 HydrophobicContact CB-CD2 4.26Å; L153-L173 HydrophobicContact CD2-CD1 4.17Å; L153-L173 HydrophobicContact CD2-CD2 4.5Å; L153-R175 CarbonylContact O-C 3.58Å; L153-R175 VanDerWaalsContact O-C 3.23Å; L153-L176 HydrophobicContact CB-CD1 4.49Å; L153-L176 HydrophobicContact CD2-CD1 4.25Å; L153-L176 HydrophobicContact CG-CD1 4.19Å; L153-L176 WeakPolarHBondContact O-CA 3.2Å; L153-L176 PolarHBondContact O-N 3.01Å; L153-L176 VanDerWaalsContact O-N 3.16Å
154	A	98.1	Very high	96.1	Very high	33 Å²	33	27.1 Å²	27.1	27%	0.273	14%	0.139	S	C	.	.			trans	-109	-31.3	179	0	0	0	0	0	111.6	T131 N152 E177 E178	T131-A154 WeakPolarHBondContact O-CA 3.48Å; T131-A154 PolarHBondContact O-N 2.74Å; N152-A154 PolarHBondContact O-N 3.4Å; A154-E177 WeakPolarHBondContact O-CA 3.21Å; A154-E177 PolarHBondContact O-N 3.34Å; A154-E178 PolarHBondContact O-N 3.29Å
155	S	98.1	Very high	96.1	Very high	8 Å²	8	30.6 Å²	30.6	6%	0.056	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126	178.1	-178.4	0	0	0	0	110.5	T131 C132 L133 E178	T131-S155 PolarHBondContact O-N 2.86Å; C132-S155 WeakPolarHBondContact CA-O 3.45Å; L133-S155 PolarHBondContact N-O 2.81Å; S155-E178 WeakPolarHBondContact CB-OE2 3.39Å; S155-E178 PolarHBondContact OG-OE2 2.77Å
156	L	98.1	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	111	177.6	178.3	55.1	0	0	0	109.6	L133 L153 L158 L170 L173 L176 E178 L179 D180	L133-L156 HydrophobicContact CB-CD1 4.17Å; L133-L156 HydrophobicContact CD2-CD1 3.86Å; L133-L156 HydrophobicContact CG-CD1 4.16Å; L153-L156 HydrophobicContact CD2-CB 3.8Å; L153-L156 HydrophobicContact CD2-CD1 4.12Å; L153-L156 HydrophobicContact CD2-CD2 4.15Å; L153-L156 HydrophobicContact CD2-CG 4.24Å; L156-L158 HydrophobicContact CD1-CD1 3.94Å; L156-L158 HydrophobicContact CD1-CD2 4.48Å; L156-L158 HydrophobicContact CD1-CG 3.95Å; L156-L158 HydrophobicContact CD2-CD1 3.77Å; L156-L158 HydrophobicContact CG-CD1 3.66Å; L156-L158 HydrophobicContact CG-CG 4.05Å; L156-L170 HydrophobicContact CD2-CD1 4.02Å; L156-L173 HydrophobicContact CD2-CD1 4.13Å; L156-L176 HydrophobicContact CB-CD1 3.85Å; L156-E178 PolarHBondContact N-O 2.87Å; L156-L179 HydrophobicContact CB-CD1 4.15Å; L156-L179 HydrophobicContact CD2-CD1 4.01Å; L156-L179 HydrophobicContact CG-CD1 4.1Å; L156-D180 PolarHBondContact O-N 3.37Å
157	E	97.4	Very high	96.1	Very high	13 Å²	13	22.7 Å²	22.7	6%	0.061	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.9	-179.8	-55.9	173.9	-165.7	0	0	110.7	L133 S134 V135 N136 D180 R478	L133-E157 PolarHBondContact O-N 3.4Å; S134-E157 PolarHBondContact OG-OE2 2.93Å; V135-E157 VanDerWaalsContact CG2-O 3.25Å; V135-E157 WeakPolarHBondContact CG2-O 3.42Å; V135-E157 PolarHBondContact N-O 3.14Å; N136-E157 PolarHBondContact ND2-OE2 3.42Å; N136-E157 VanDerWaalsContact OD1-C 3.26Å; N136-E157 WeakPolarHBondContact OD1-CB 3.3Å; N136-E157 PolarHBondContact OD1-O 3.49Å; E157-D180 HydrophobicContact CB-CB 4.35Å; E157-D180 HydrophobicContact CG-CB 4.41Å; E157-R478 VanDerWaalsContact OE1-CD 3.23Å; E157-R478 WeakPolarHBondContact OE1-CD 3.31Å; E157-R478 IonicContact OE1-CZ 3.07Å; E157-R478 VanDerWaalsContact OE1-CZ 3.28Å; E157-R478 IonicContact OE1-NE 2.98Å; E157-R478 PolarHBondContact OE1-NE 2.9Å; E157-R478 IonicContact OE1-NH1 3.32Å; E157-R478 PolarHBondContact OE1-NH1 2.87Å
158	L	96.5	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.			trans	-129.9	23.2	-173.6	-72.1	159.9	0	0	0	111.5	V135 N136 L140 L143 L156 N161 L163 D180 L181 N184	V135-L158 HydrophobicContact CG2-CD2 3.27Å; V135-L158 HydrophobicContact CG2-CG 4.01Å; N136-L158 PolarHBondContact OD1-N 3.42Å; L140-L158 HydrophobicContact CD2-CD2 3.67Å; L143-L158 HydrophobicContact CD1-CD1 3.85Å; L143-L158 HydrophobicContact CD2-CD1 4.04Å; L143-L158 HydrophobicContact CD2-CD2 3.72Å; L143-L158 HydrophobicContact CG-CD1 4.39Å; L156-L158 HydrophobicContact CD1-CD1 3.94Å; L156-L158 HydrophobicContact CD1-CD2 4.48Å; L156-L158 HydrophobicContact CD1-CG 3.95Å; L156-L158 HydrophobicContact CD2-CD1 3.77Å; L156-L158 HydrophobicContact CG-CD1 3.66Å; L156-L158 HydrophobicContact CG-CG 4.05Å; L158-N161 VanDerWaalsContact C-ND2 3.33Å; L158-N161 PolarHBondContact O-ND2 3.39Å; L158-L163 HydrophobicContact CB-CD1 4.07Å; L158-L163 HydrophobicContact CD1-CD1 4.13Å; L158-L163 HydrophobicContact CD2-CD1 4.22Å; L158-L163 HydrophobicContact CG-CD1 4.41Å; L158-D180 CarbonylContact C-O 3.22Å; L158-D180 WeakPolarHBondContact CA-O 3.4Å; L158-D180 WeakPolarHBondContact CB-O 3.28Å; L158-D180 PolarHBondContact N-O 2.96Å; L158-L181 HydrophobicContact CB-CD2 3.94Å; L158-L181 HydrophobicContact CD1-CD2 3.67Å; L158-L181 HydrophobicContact CG-CD2 4.48Å; L158-N184 PolarHBondContact O-ND2 3.3Å
159	R	94.7	Very high	95.8	Very high	26 Å²	26	28.9 Å²	28.9	10%	0.098	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	153.3	-175.4	-155.5	-161.5	172.8	41.3	-11.5	111.4	N136 D137 N161 G182 N183 D205 R477 T480	N136-R159 CarbonylContact C-O 3.15Å; N136-R159 VanDerWaalsContact CA-O 3.27Å; N136-R159 WeakPolarHBondContact CA-O 3.36Å; N136-R159 HydrophobicContact CB-CB 4.46Å; N136-R159 WeakPolarHBondContact OD1-CB 3.28Å; N136-R159 PolarHBondContact OD1-N 3.5Å; D137-R159 PolarHBondContact N-O 3.11Å; R159-N161 PolarHBondContact O-N 3.08Å; R159-N161 PolarHBondContact O-ND2 3.08Å; R159-G182 CarbonylContact C-O 3.22Å; R159-G182 WeakPolarHBondContact CA-O 3.39Å; R159-G182 WeakPolarHBondContact CG-O 3.41Å; R159-G182 VanDerWaalsContact NH1-CA 3.31Å; R159-N183 HydrophobicContact CG-CB 4.47Å; R159-N183 PolarHBondContact NH2-ND2 3.16Å; R159-D205 IonicContact CZ-OD2 2.66Å; R159-D205 VanDerWaalsContact CZ-OD2 3.23Å; R159-D205 VanDerWaalsContact NH1-CG 3.26Å; R159-D205 IonicContact NH1-OD1 2.96Å; R159-D205 PolarHBondContact NH1-OD1 3.29Å; R159-D205 IonicContact NH1-OD2 3.12Å; R159-D205 PolarHBondContact NH1-OD2 3.48Å; R159-D205 IonicContact NH2-OD2 3.27Å; R159-D205 PolarHBondContact NH2-OD2 2.73Å; R159-R477 VanDerWaalsContact CZ-NH2 3.26Å; R159-T480 HydrophobicContact CB-CG2 4.37Å; R159-T480 HydrophobicContact CG-CG2 4.42Å
160	E	93.9	Very high	95.7	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.047	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	30.9	171	-69.5	170	-154.5	0	0	113.5	D137 G182 N183 T480	D137-E160 WeakPolarHBondContact CA-O 3.44Å; D137-E160 HydrophobicContact CB-CB 3.95Å; E160-G182 PolarHBondContact N-O 3.33Å; E160-N183 CarbonylContact C-O 3.18Å; E160-N183 WeakPolarHBondContact CA-O 3.39Å; E160-N183 HydrophobicContact CB-CB 4.49Å; E160-N183 HydrophobicContact CG-CB 3.77Å; E160-N183 PolarHBondContact N-O 3.21Å; E160-T480 WeakPolarHBondContact OE1-CB 3.26Å; E160-T480 PolarHBondContact OE1-OG1 3.1Å
161	N	95.3	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-101.9	-166.8	174.4	-76.6	-56.9	0	0	0	111.8	V135 I138 S139 L140 L158 R159 L163 N183 N184 K487	V135-N161 PolarHBondContact O-ND2 3.26Å; I138-N161 WeakPolarHBondContact CG1-OD1 3.49Å; I138-N161 PolarHBondContact N-OD1 3.38Å; S139-N161 PolarHBondContact N-OD1 3.35Å; L140-N161 HydrophobicContact CB-CB 3.99Å; L140-N161 WeakPolarHBondContact CB-OD1 3.25Å; L140-N161 PolarHBondContact N-OD1 3.37Å; L158-N161 VanDerWaalsContact C-ND2 3.33Å; L158-N161 PolarHBondContact O-ND2 3.39Å; R159-N161 PolarHBondContact O-N 3.08Å; R159-N161 PolarHBondContact O-ND2 3.08Å; N161-L163 HydrophobicContact CB-CG 4.32Å; N161-N183 PolarHBondContact N-O 3.31Å; N161-N184 VanDerWaalsContact CA-OD1 3.28Å; N161-N184 WeakPolarHBondContact CA-OD1 3.33Å; N161-N184 WeakPolarHBondContact CB-OD1 3.43Å; N161-N184 PolarHBondContact N-OD1 3.46Å; N161-N184 PolarHBondContact O-OD1 2.81Å; N161-K487 WeakPolarHBondContact O-CE 3.27Å; N161-K487 PolarHBondContact O-NZ 3.4Å
162	L	95.5	Very high	95.1	Very high	25 Å²	25	26.5 Å²	26.5	13%	0.131	14%	0.139	C	C	.	.			trans	-118.4	26.9	-179.2	-57.3	175.4	0	0	0	111	L140 T164 N184 E185 K491	L140-L162 CarbonylContact O-C 3.58Å; L140-L162 VanDerWaalsContact O-C 3.25Å; L140-L162 WeakPolarHBondContact O-CA 3.44Å; L140-L162 PolarHBondContact O-N 3.35Å; L162-T164 PolarHBondContact O-N 3.38Å; L162-N184 PolarHBondContact N-OD1 3Å; L162-E185 WeakPolarHBondContact CD2-OE1 3.43Å; L162-K491 HydrophobicContact CD2-CD 4.43Å
163	L	96.4	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.			trans	-65.6	130.9	-179.6	-63	174.3	0	0	0	109.9	L140 L143 L158 N161 L181 N184 E185 I186	L140-L163 HydrophobicContact CD2-CD2 4.15Å; L140-L163 HydrophobicContact CG-CD2 4.07Å; L140-L163 PolarHBondContact O-N 3.31Å; L143-L163 HydrophobicContact CG-CD2 4.31Å; L158-L163 HydrophobicContact CB-CD1 4.07Å; L158-L163 HydrophobicContact CD1-CD1 4.13Å; L158-L163 HydrophobicContact CD2-CD1 4.22Å; L158-L163 HydrophobicContact CG-CD1 4.41Å; N161-L163 HydrophobicContact CB-CG 4.32Å; L163-L181 HydrophobicContact CD1-CD2 3.93Å; L163-N184 HydrophobicContact CB-CB 4.28Å; L163-N184 WeakPolarHBondContact CB-OD1 3.17Å; L163-N184 WeakPolarHBondContact CG-OD1 3.36Å; L163-N184 PolarHBondContact N-OD1 2.99Å; L163-E185 CarbonylContact O-C 3.4Å; L163-E185 VanDerWaalsContact O-CA 3.27Å; L163-E185 WeakPolarHBondContact O-CA 3.42Å; L163-E185 PolarHBondContact O-N 2.95Å; L163-I186 HydrophobicContact CB-CG1 4.27Å; L163-I186 WeakPolarHBondContact O-CG1 3.4Å; L163-I186 PolarHBondContact O-N 2.92Å; L163-I186 VanDerWaalsContact O-N 3.1Å
164	T	96.3	Very high	94.8	Very high	48 Å²	48	34.1 Å²	34.1	29%	0.294	17%	0.166	S	C	.	.			trans	-105.1	-24.3	177.6	52.2	0	0	0	0	112.9	L162 E185 I186 Y187	L162-T164 PolarHBondContact O-N 3.38Å; T164-E185 HydrophobicContact CG2-CB 4.05Å; T164-I186 WeakPolarHBondContact O-CA 3.41Å; T164-Y187 WeakPolarHBondContact O-CD1 3.41Å; T164-Y187 WeakPolarHBondContact O-CE1 3.17Å; T164-Y187 PolarHBondContact O-N 3.39Å
165	Y	95.1	Very high	94.7	Very high	93 Å²	93	39.6 Å²	39.6	37%	0.365	18%	0.18	S	C	.	.			trans	-149	167.7	177.6	67	-86.9	0	0	0	110.7
166	L	95.1	Very high	94.7	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.058	18%	0.177	C	C	.	.			trans	-111.9	138.1	173.3	-59.2	173	0	0	0	109.4	L143 L170 L181 I186 L189 P190	L143-L166 HydrophobicContact CD1-CD2 4.26Å; L166-L170 HydrophobicContact CB-CD2 4.16Å; L166-L170 HydrophobicContact CD1-CD2 3.82Å; L166-L170 HydrophobicContact CD2-CD2 4.36Å; L166-L170 HydrophobicContact CG-CD2 4.33Å; L166-L181 HydrophobicContact CD1-CD1 3.59Å; L166-L181 HydrophobicContact CD2-CD1 3.87Å; L166-L181 HydrophobicContact CD2-CD2 3.72Å; L166-L181 HydrophobicContact CD2-CG 4.48Å; L166-L181 HydrophobicContact CG-CD1 4.31Å; L166-I186 HydrophobicContact CD2-CD1 4.25Å; L166-I186 HydrophobicContact CG-CD1 4.46Å; L166-L189 HydrophobicContact CD1-CD2 3.97Å; L166-P190 HydrophobicContact CB-CG 4.39Å
167	P	93.6	Very high	94.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.019	19%	0.192	C	C	.	.			trans	-71	147.8	176.8	30	-34.8	0	0	0	111.2	L143 I147 S169 L170	L143-P167 HydrophobicContact CB-CG 3.97Å; I147-P167 HydrophobicContact CG2-CG 3.68Å; P167-S169 PolarHBondContact O-N 3.36Å; P167-S169 VanDerWaalsContact O-N 3.12Å; P167-L170 VanDerWaalsContact O-CB 3.25Å; P167-L170 WeakPolarHBondContact O-CB 3.11Å; P167-L170 PolarHBondContact O-N 3.12Å
168	D	89.9	Confident	94.8	Very high	119 Å²	119	44.8 Å²	44.8	64%	0.636	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-58.6	-29	-179.5	-76.6	-24.9	0	0	0	113.2	L170 T171	D168-L170 PolarHBondContact O-N 2.96Å; D168-T171 PolarHBondContact O-N 3.23Å; D168-T171 PolarHBondContact O-OG1 3.4Å
169	S	94.2	Very high	94.9	Very high	13 Å²	13	44.8 Å²	44.8	9%	0.091	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.1	-17	178.7	71.9	0	0	0	0	113.5	E145 I147 G148 P167 T171 Q172	E145-S169 WeakPolarHBondContact O-CB 3.27Å; E145-S169 PolarHBondContact O-OG 3.43Å; I147-S169 PolarHBondContact N-OG 3.46Å; G148-S169 WeakPolarHBondContact CA-O 3.2Å; G148-S169 PolarHBondContact N-OG 2.77Å; P167-S169 PolarHBondContact O-N 3.36Å; P167-S169 VanDerWaalsContact O-N 3.12Å; S169-T171 PolarHBondContact O-N 3.28Å; S169-Q172 VanDerWaalsContact O-CB 3.27Å; S169-Q172 WeakPolarHBondContact O-CB 3.19Å; S169-Q172 WeakPolarHBondContact O-CG 3.21Å; S169-Q172 PolarHBondContact O-N 3.45Å
170	L	94.2	Very high	95	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-52.5	-32.1	176.3	-169	78.1	0	0	0	111.6	L143 I147 L156 L166 P167 D168 Q172 L173 L179	L143-L170 HydrophobicContact CD1-CD1 4.42Å; I147-L170 HydrophobicContact CG2-CD1 4.2Å; L156-L170 HydrophobicContact CD2-CD1 4.02Å; L166-L170 HydrophobicContact CB-CD2 4.16Å; L166-L170 HydrophobicContact CD1-CD2 3.82Å; L166-L170 HydrophobicContact CD2-CD2 4.36Å; L166-L170 HydrophobicContact CG-CD2 4.33Å; P167-L170 VanDerWaalsContact O-CB 3.25Å; P167-L170 WeakPolarHBondContact O-CB 3.11Å; P167-L170 PolarHBondContact O-N 3.12Å; D168-L170 PolarHBondContact O-N 2.96Å; L170-Q172 PolarHBondContact O-N 2.71Å; L170-Q172 VanDerWaalsContact O-N 3.11Å; L170-L173 HydrophobicContact CD1-CD1 3.59Å; L170-L173 HydrophobicContact CG-CD1 4.25Å; L170-L173 VanDerWaalsContact O-CB 3.3Å; L170-L173 WeakPolarHBondContact O-CB 3.18Å; L170-L173 VanDerWaalsContact O-CG 3.27Å; L170-L173 WeakPolarHBondContact O-CG 3.2Å; L170-L173 PolarHBondContact O-N 3.49Å; L170-L173 VanDerWaalsContact O-N 3.08Å; L170-L179 HydrophobicContact CD2-CD2 4.18Å
171	T	87.1	Confident	95.2	Very high	32 Å²	32	43.4 Å²	43.4	20%	0.196	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.3	175.8	59	0	0	0	0	116	D168 S169 S192 A195	D168-T171 PolarHBondContact O-N 3.23Å; D168-T171 PolarHBondContact O-OG1 3.4Å; S169-T171 PolarHBondContact O-N 3.28Å; T171-S192 WeakPolarHBondContact CG2-O 3.47Å; T171-S192 WeakPolarHBondContact CG2-OG 3.06Å; T171-A195 HydrophobicContact CG2-CB 4.26Å
172	Q	93.5	Very high	95.2	Very high	93 Å²	93	43.4 Å²	43.4	44%	0.435	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-79.8	-10.8	178	-57.5	176.1	-1.1	0	0	112.1	G148 S169 L170 R174	G148-Q172 WeakPolarHBondContact O-CB 3.37Å; S169-Q172 VanDerWaalsContact O-CB 3.27Å; S169-Q172 WeakPolarHBondContact O-CB 3.19Å; S169-Q172 WeakPolarHBondContact O-CG 3.21Å; S169-Q172 PolarHBondContact O-N 3.45Å; L170-Q172 PolarHBondContact O-N 2.71Å; L170-Q172 VanDerWaalsContact O-N 3.11Å; Q172-R174 PolarHBondContact O-N 2.87Å
173	L	96.1	Very high	95.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.198	C	C	.	.			trans	-73	61.5	173.1	-55.4	-179.4	0	0	0	111.2	L150 L153 L156 L170 R175 L176 L196	L150-L173 HydrophobicContact CB-CD2 3.91Å; L150-L173 WeakPolarHBondContact O-CD2 3.28Å; L153-L173 HydrophobicContact CB-CD2 4.26Å; L153-L173 HydrophobicContact CD2-CD1 4.17Å; L153-L173 HydrophobicContact CD2-CD2 4.5Å; L156-L173 HydrophobicContact CD2-CD1 4.13Å; L170-L173 HydrophobicContact CD1-CD1 3.59Å; L170-L173 HydrophobicContact CG-CD1 4.25Å; L170-L173 VanDerWaalsContact O-CB 3.3Å; L170-L173 WeakPolarHBondContact O-CB 3.18Å; L170-L173 VanDerWaalsContact O-CG 3.27Å; L170-L173 WeakPolarHBondContact O-CG 3.2Å; L170-L173 PolarHBondContact O-N 3.49Å; L170-L173 VanDerWaalsContact O-N 3.08Å; L173-R175 PolarHBondContact O-N 2.81Å; L173-L176 HydrophobicContact CB-CB 4.05Å; L173-L176 HydrophobicContact CB-CD2 4.45Å; L173-L176 HydrophobicContact CD1-CD1 4.49Å; L173-L176 HydrophobicContact CD1-CD2 4.21Å; L173-L176 VanDerWaalsContact O-CB 3.25Å; L173-L176 WeakPolarHBondContact O-CB 3.42Å; L173-L176 PolarHBondContact O-N 2.76Å; L173-L196 HydrophobicContact CB-CD2 4.34Å; L173-L196 WeakPolarHBondContact O-CD2 3.31Å
174	R	91.8	Very high	95.3	Very high	184 Å²	184	43.8 Å²	43.8	69%	0.694	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.8	-171.9	-65.7	-177.2	-178.1	-178.4	1.3	114.4	Q172 H198	Q172-R174 PolarHBondContact O-N 2.87Å; R174-H198 PolarHBondContact O-CD2 2.99Å
175	R	96.8	Very high	95.3	Very high	149 Å²	149	43.4 Å²	43.4	56%	0.562	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	0.8	176.1	-69.1	-169.8	178.3	168.6	8	113.4	N152 L153 L173 E177	N152-R175 PolarHBondContact OD1-NH1 2.76Å; L153-R175 CarbonylContact O-C 3.58Å; L153-R175 VanDerWaalsContact O-C 3.23Å; L173-R175 PolarHBondContact O-N 2.81Å; R175-E177 WeakPolarHBondContact O-CG 3.34Å; R175-E177 PolarHBondContact O-N 2.79Å
176	L	98.3	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.177	C	C	.	.			trans	-63.9	122.4	-177.4	-159.1	70.1	0	0	0	109.7	L153 L156 L173 E178 L179 L196 H198 L199	L153-L176 HydrophobicContact CB-CD1 4.49Å; L153-L176 HydrophobicContact CD2-CD1 4.25Å; L153-L176 HydrophobicContact CG-CD1 4.19Å; L153-L176 WeakPolarHBondContact O-CA 3.2Å; L153-L176 PolarHBondContact O-N 3.01Å; L153-L176 VanDerWaalsContact O-N 3.16Å; L156-L176 HydrophobicContact CB-CD1 3.85Å; L173-L176 HydrophobicContact CB-CB 4.05Å; L173-L176 HydrophobicContact CB-CD2 4.45Å; L173-L176 HydrophobicContact CD1-CD1 4.49Å; L173-L176 HydrophobicContact CD1-CD2 4.21Å; L173-L176 VanDerWaalsContact O-CB 3.25Å; L173-L176 WeakPolarHBondContact O-CB 3.42Å; L173-L176 PolarHBondContact O-N 2.76Å; L176-E178 WeakPolarHBondContact CD1-O 3.48Å; L176-L179 HydrophobicContact CD2-CB 3.91Å; L176-L179 HydrophobicContact CD2-CD1 4.23Å; L176-L179 HydrophobicContact CD2-CD2 4.23Å; L176-L179 HydrophobicContact CD2-CG 4.35Å; L176-L196 HydrophobicContact CD2-CD1 4.13Å; L176-H198 CarbonylContact O-C 3.09Å; L176-L199 HydrophobicContact CB-CD1 4.42Å; L176-L199 HydrophobicContact CD2-CD1 4.14Å; L176-L199 HydrophobicContact CG-CD1 4.07Å; L176-L199 WeakPolarHBondContact O-CA 3.48Å; L176-L199 PolarHBondContact O-N 2.94Å; L176-L199 VanDerWaalsContact O-N 3.13Å
177	E	98.3	Very high	95.5	Very high	69 Å²	69	44 Å²	44	32%	0.322	20%	0.197	S	C	.	.			trans	-105.7	-32.4	176.3	-55.4	-161.5	154.8	0	0	110.8	A154 R175 K200 D201	A154-E177 WeakPolarHBondContact O-CA 3.21Å; A154-E177 PolarHBondContact O-N 3.34Å; R175-E177 WeakPolarHBondContact O-CG 3.34Å; R175-E177 PolarHBondContact O-N 2.79Å; E177-K200 HydrophobicContact CB-CD 4.34Å; E177-K200 WeakPolarHBondContact O-CA 3.08Å; E177-K200 PolarHBondContact O-N 2.97Å; E177-K200 IonicContact OE1-NZ 3.79Å; E177-K200 PolarHBondContact OE1-NZ 3.09Å; E177-K200 IonicContact OE2-NZ 3.46Å; E177-K200 PolarHBondContact OE2-NZ 2.7Å; E177-D201 PolarHBondContact O-N 3.06Å
178	E	98.1	Very high	95.6	Very high	60 Å²	60	47.3 Å²	47.3	28%	0.28	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.8	-178.3	-64.1	170.1	-172.1	0	0	110.5	A154 S155 L156 L176 D201 W203	A154-E178 PolarHBondContact O-N 3.29Å; S155-E178 WeakPolarHBondContact CB-OE2 3.39Å; S155-E178 PolarHBondContact OG-OE2 2.77Å; L156-E178 PolarHBondContact N-O 2.87Å; L176-E178 WeakPolarHBondContact CD1-O 3.48Å; E178-D201 HydrophobicContact CG-CB 4.29Å; E178-W203 HydrophobicContact CB-CZ3 4.32Å
179	L	98	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	107.3	173.9	179.6	56.1	0	0	0	109.9	L156 L170 L176 L181 I193 L196 L199 D201 L202 W203	L156-L179 HydrophobicContact CB-CD1 4.15Å; L156-L179 HydrophobicContact CD2-CD1 4.01Å; L156-L179 HydrophobicContact CG-CD1 4.1Å; L170-L179 HydrophobicContact CD2-CD2 4.18Å; L176-L179 HydrophobicContact CD2-CB 3.91Å; L176-L179 HydrophobicContact CD2-CD1 4.23Å; L176-L179 HydrophobicContact CD2-CD2 4.23Å; L176-L179 HydrophobicContact CD2-CG 4.35Å; L179-L181 HydrophobicContact CD1-CD1 4.08Å; L179-L181 HydrophobicContact CD1-CD2 4.34Å; L179-L181 HydrophobicContact CD1-CG 3.89Å; L179-L181 HydrophobicContact CD2-CD1 3.83Å; L179-L181 HydrophobicContact CD2-CG 4.49Å; L179-L181 HydrophobicContact CG-CD1 3.85Å; L179-L181 HydrophobicContact CG-CG 3.98Å; L179-I193 HydrophobicContact CD2-CD1 4.15Å; L179-L196 HydrophobicContact CD2-CD1 4.24Å; L179-L199 HydrophobicContact CB-CD1 3.84Å; L179-D201 PolarHBondContact N-O 2.96Å; L179-L202 HydrophobicContact CB-CD1 4.09Å; L179-L202 HydrophobicContact CD2-CD1 3.96Å; L179-L202 HydrophobicContact CG-CD1 4.06Å; L179-W203 PolarHBondContact O-N 3.32Å
180	D	97.8	Very high	95.8	Very high	6 Å²	6	43 Å²	43	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	111	173.6	-165.6	-20.6	0	0	0	110.6	L156 E157 L158 G182 W203 R477	L156-D180 PolarHBondContact O-N 3.37Å; E157-D180 HydrophobicContact CB-CB 4.35Å; E157-D180 HydrophobicContact CG-CB 4.41Å; L158-D180 CarbonylContact C-O 3.22Å; L158-D180 WeakPolarHBondContact CA-O 3.4Å; L158-D180 WeakPolarHBondContact CB-O 3.28Å; L158-D180 PolarHBondContact N-O 2.96Å; D180-G182 PolarHBondContact OD1-N 2.76Å; D180-W203 HydrophobicContact CB-CD2 4.44Å; D180-W203 HydrophobicContact CB-CE3 3.55Å; D180-W203 HydrophobicContact CB-CZ3 4.16Å; D180-R477 IonicContact OD1-CZ 3.97Å; D180-R477 IonicContact OD1-NH2 3.16Å; D180-R477 PolarHBondContact OD1-NH2 3.12Å; D180-R477 IonicContact OD2-CZ 2.72Å; D180-R477 VanDerWaalsContact OD2-CZ 3.26Å; D180-R477 IonicContact OD2-NE 3.04Å; D180-R477 PolarHBondContact OD2-NE 3.07Å; D180-R477 IonicContact OD2-NH2 3.28Å; D180-R477 PolarHBondContact OD2-NH2 2.96Å
181	L	97.4	Very high	95.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.22	C	C	.	.			trans	-119.7	15.1	176	-71	167.7	0	0	0	111.7	L158 L163 L166 L179 N184 I186 W203 L204 N207	L158-L181 HydrophobicContact CB-CD2 3.94Å; L158-L181 HydrophobicContact CD1-CD2 3.67Å; L158-L181 HydrophobicContact CG-CD2 4.48Å; L163-L181 HydrophobicContact CD1-CD2 3.93Å; L166-L181 HydrophobicContact CD1-CD1 3.59Å; L166-L181 HydrophobicContact CD2-CD1 3.87Å; L166-L181 HydrophobicContact CD2-CD2 3.72Å; L166-L181 HydrophobicContact CD2-CG 4.48Å; L166-L181 HydrophobicContact CG-CD1 4.31Å; L179-L181 HydrophobicContact CD1-CD1 4.08Å; L179-L181 HydrophobicContact CD1-CD2 4.34Å; L179-L181 HydrophobicContact CD1-CG 3.89Å; L179-L181 HydrophobicContact CD2-CD1 3.83Å; L179-L181 HydrophobicContact CD2-CG 4.49Å; L179-L181 HydrophobicContact CG-CD1 3.85Å; L179-L181 HydrophobicContact CG-CG 3.98Å; L181-N184 PolarHBondContact O-ND2 3.06Å; L181-I186 HydrophobicContact CB-CD1 3.99Å; L181-I186 HydrophobicContact CD1-CD1 4.1Å; L181-I186 HydrophobicContact CD2-CD1 4.06Å; L181-I186 HydrophobicContact CG-CD1 4.29Å; L181-W203 CarbonylContact C-O 3.17Å; L181-W203 WeakPolarHBondContact CA-O 3.13Å; L181-W203 WeakPolarHBondContact CB-O 3.3Å; L181-W203 PolarHBondContact N-O 3.26Å; L181-L204 HydrophobicContact CB-CD2 3.95Å; L181-L204 HydrophobicContact CD1-CD2 3.9Å; L181-N207 PolarHBondContact O-ND2 3.01Å
182	G	96.5	Very high	96.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.222	C	C	.	.			trans	-66.1	157.3	-174.2	0	0	0	0	0	112.8	R159 E160 D180 N184 W203 D205	R159-G182 CarbonylContact C-O 3.22Å; R159-G182 WeakPolarHBondContact CA-O 3.39Å; R159-G182 WeakPolarHBondContact CG-O 3.41Å; R159-G182 VanDerWaalsContact NH1-CA 3.31Å; E160-G182 PolarHBondContact N-O 3.33Å; D180-G182 PolarHBondContact OD1-N 2.76Å; G182-N184 PolarHBondContact O-N 3.31Å; G182-N184 PolarHBondContact O-ND2 3.01Å; G182-W203 PolarHBondContact N-O 3.41Å; G182-D205 CarbonylContact C-O 3.58Å; G182-D205 WeakPolarHBondContact CA-O 3.42Å
183	N	95.8	Very high	96.2	Very high	28 Å²	28	45 Å²	45	15%	0.15	20%	0.202	C	C	.	.	S	Bend	trans	50	55.5	-175.7	-68.7	-28.5	0	0	0	112.5	R159 E160 N161 D205 G206 K487	R159-N183 HydrophobicContact CG-CB 4.47Å; R159-N183 PolarHBondContact NH2-ND2 3.16Å; E160-N183 CarbonylContact C-O 3.18Å; E160-N183 WeakPolarHBondContact CA-O 3.39Å; E160-N183 HydrophobicContact CB-CB 4.49Å; E160-N183 HydrophobicContact CG-CB 3.77Å; E160-N183 PolarHBondContact N-O 3.21Å; N161-N183 PolarHBondContact N-O 3.31Å; N183-D205 PolarHBondContact N-O 2.83Å; N183-G206 CarbonylContact C-O 3.38Å; N183-G206 VanDerWaalsContact CA-O 3.24Å; N183-G206 WeakPolarHBondContact CA-O 3.18Å; N183-K487 PolarHBondContact O-NZ 3.18Å
184	N	96.8	Very high	96.2	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.032	20%	0.203	C	C	.	.	S	Bend	trans	-118.4	-162	172.2	-86.4	-79	0	0	0	110.4	L158 N161 L162 L163 L181 G182 I186 G206 N207	L158-N184 PolarHBondContact O-ND2 3.3Å; N161-N184 VanDerWaalsContact CA-OD1 3.28Å; N161-N184 WeakPolarHBondContact CA-OD1 3.33Å; N161-N184 WeakPolarHBondContact CB-OD1 3.43Å; N161-N184 PolarHBondContact N-OD1 3.46Å; N161-N184 PolarHBondContact O-OD1 2.81Å; L162-N184 PolarHBondContact N-OD1 3Å; L163-N184 HydrophobicContact CB-CB 4.28Å; L163-N184 WeakPolarHBondContact CB-OD1 3.17Å; L163-N184 WeakPolarHBondContact CG-OD1 3.36Å; L163-N184 PolarHBondContact N-OD1 2.99Å; L181-N184 PolarHBondContact O-ND2 3.06Å; G182-N184 PolarHBondContact O-N 3.31Å; G182-N184 PolarHBondContact O-ND2 3.01Å; N184-I186 HydrophobicContact CB-CD1 4.22Å; N184-I186 HydrophobicContact CB-CG1 4.02Å; N184-G206 PolarHBondContact N-O 3.11Å; N184-N207 VanDerWaalsContact CA-OD1 3.32Å; N184-N207 WeakPolarHBondContact CA-OD1 3.2Å; N184-N207 WeakPolarHBondContact CB-OD1 3.44Å; N184-N207 PolarHBondContact N-OD1 2.75Å
185	E	97.1	Very high	96.4	Very high	39 Å²	39	38.7 Å²	38.7	18%	0.182	19%	0.19	C	C	.	.			trans	-120.8	27.9	176.4	-62.7	-174.7	-163.9	0	0	111.2	L162 L163 T164 Y187 N207 K491	L162-E185 WeakPolarHBondContact CD2-OE1 3.43Å; L163-E185 CarbonylContact O-C 3.4Å; L163-E185 VanDerWaalsContact O-CA 3.27Å; L163-E185 WeakPolarHBondContact O-CA 3.42Å; L163-E185 PolarHBondContact O-N 2.95Å; T164-E185 HydrophobicContact CG2-CB 4.05Å; E185-Y187 PolarHBondContact O-N 2.75Å; E185-N207 PolarHBondContact N-OD1 2.83Å; E185-K491 VanDerWaalsContact CD-NZ 3.33Å; E185-K491 IonicContact OE1-NZ 2.83Å; E185-K491 PolarHBondContact OE1-NZ 2.83Å; E185-K491 IonicContact OE2-NZ 3.74Å; E185-K491 PolarHBondContact OE2-NZ 3.04Å
186	I	97.8	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.			trans	-70	120.6	-175.1	-58.3	171.8	0	0	0	108.7	L163 T164 L166 L181 N184 N188 L189 N207 Q208 L209	L163-I186 HydrophobicContact CB-CG1 4.27Å; L163-I186 WeakPolarHBondContact O-CG1 3.4Å; L163-I186 PolarHBondContact O-N 2.92Å; L163-I186 VanDerWaalsContact O-N 3.1Å; T164-I186 WeakPolarHBondContact O-CA 3.41Å; L166-I186 HydrophobicContact CD2-CD1 4.25Å; L166-I186 HydrophobicContact CG-CD1 4.46Å; L181-I186 HydrophobicContact CB-CD1 3.99Å; L181-I186 HydrophobicContact CD1-CD1 4.1Å; L181-I186 HydrophobicContact CD2-CD1 4.06Å; L181-I186 HydrophobicContact CG-CD1 4.29Å; N184-I186 HydrophobicContact CB-CD1 4.22Å; N184-I186 HydrophobicContact CB-CG1 4.02Å; I186-N188 VanDerWaalsContact CG2-O 3.25Å; I186-N188 WeakPolarHBondContact CG2-O 3.4Å; I186-L189 HydrophobicContact CG2-CD2 4.37Å; I186-N207 HydrophobicContact CB-CB 4.45Å; I186-N207 WeakPolarHBondContact CB-OD1 3.5Å; I186-N207 WeakPolarHBondContact CG1-OD1 3.18Å; I186-N207 PolarHBondContact N-OD1 2.96Å; I186-Q208 CarbonylContact O-C 3.58Å; I186-Q208 VanDerWaalsContact O-C 3.32Å; I186-Q208 WeakPolarHBondContact O-CA 3.35Å; I186-Q208 PolarHBondContact O-N 3.39Å; I186-L209 HydrophobicContact CG2-CD2 3.92Å; I186-L209 PolarHBondContact O-N 2.69Å
187	Y	96.6	Very high	96.3	Very high	118 Å²	118	36.2 Å²	36.2	46%	0.463	19%	0.187	S	C	.	.			trans	-97.7	-22.2	-179.2	60.6	-91.1	0	0	0	113.2	T164 E185	T164-Y187 WeakPolarHBondContact O-CD1 3.41Å; T164-Y187 WeakPolarHBondContact O-CE1 3.17Å; T164-Y187 PolarHBondContact O-N 3.39Å; E185-Y187 PolarHBondContact O-N 2.75Å
188	N	95.4	Very high	96.3	Very high	71 Å²	71	37.7 Å²	37.7	38%	0.38	19%	0.194	S	C	.	.			trans	-146.5	148.2	174.7	-77	-37.5	0	0	0	111.3	I186	I186-N188 VanDerWaalsContact CG2-O 3.25Å; I186-N188 WeakPolarHBondContact CG2-O 3.4Å
189	L	95.6	Very high	96.3	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.079	18%	0.181	C	C	.	.			trans	-95.7	140.5	166.4	-64.7	172.4	0	0	0	110	L166 I186 L204 L209 L212 P213	L166-L189 HydrophobicContact CD1-CD2 3.97Å; I186-L189 HydrophobicContact CG2-CD2 4.37Å; L189-L204 HydrophobicContact CD1-CD1 3.55Å; L189-L204 HydrophobicContact CD1-CD2 4.43Å; L189-L204 HydrophobicContact CD2-CD1 4.41Å; L189-L204 HydrophobicContact CD2-CD2 3.77Å; L189-L209 HydrophobicContact CD1-CD1 4.24Å; L189-L209 HydrophobicContact CD2-CD2 4.48Å; L189-L209 HydrophobicContact CG-CD1 4.31Å; L189-L209 HydrophobicContact CG-CD2 3.91Å; L189-L212 HydrophobicContact CD1-CD2 3.86Å; L189-P213 HydrophobicContact CB-CG 4.04Å
190	P	93.9	Very high	96.3	Very high	26 Å²	26	37.9 Å²	37.9	17%	0.169	19%	0.194	C	C	.	.			trans	-70.1	143.9	173.5	31.6	-35.1	0	0	0	110.2	L166 S192 I193	L166-P190 HydrophobicContact CB-CG 4.39Å; P190-S192 WeakPolarHBondContact CB-OG 3.44Å; P190-S192 PolarHBondContact O-N 2.86Å; P190-I193 WeakPolarHBondContact O-CB 3.5Å; P190-I193 WeakPolarHBondContact O-CG2 3.43Å; P190-I193 PolarHBondContact O-N 3.04Å
191	E	94.1	Very high	96.3	Very high	135 Å²	135	39.3 Å²	39.3	63%	0.631	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-51.3	-31.8	173.2	-64.5	179.4	178.8	0	0	111.7	I193 G194 E215	E191-I193 PolarHBondContact O-N 2.84Å; E191-I193 VanDerWaalsContact O-N 3.08Å; E191-G194 PolarHBondContact O-N 2.79Å; E191-E215 HydrophobicContact CB-CG 4.12Å; E191-E215 WeakPolarHBondContact O-CB 3.46Å; E191-E215 WeakPolarHBondContact O-CG 3.18Å
192	S	92.9	Very high	96.3	Very high	34 Å²	34	39.3 Å²	39.3	24%	0.238	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.5	-18.5	-179.8	79.4	0	0	0	0	112.8	T171 P190 G194 A195	T171-S192 WeakPolarHBondContact CG2-O 3.47Å; T171-S192 WeakPolarHBondContact CG2-OG 3.06Å; P190-S192 WeakPolarHBondContact CB-OG 3.44Å; P190-S192 PolarHBondContact O-N 2.86Å; S192-G194 PolarHBondContact O-N 3.27Å; S192-G194 VanDerWaalsContact O-N 3.09Å; S192-A195 WeakPolarHBondContact O-CB 3.47Å; S192-A195 PolarHBondContact O-N 3.36Å
193	I	95.4	Very high	96.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-52.4	-34.1	174.2	-164.3	68.8	0	0	0	112.9	L179 P190 E191 A195 L196 P213	L179-I193 HydrophobicContact CD2-CD1 4.15Å; P190-I193 WeakPolarHBondContact O-CB 3.5Å; P190-I193 WeakPolarHBondContact O-CG2 3.43Å; P190-I193 PolarHBondContact O-N 3.04Å; E191-I193 PolarHBondContact O-N 2.84Å; E191-I193 VanDerWaalsContact O-N 3.08Å; I193-A195 PolarHBondContact O-N 2.9Å; I193-L196 HydrophobicContact CD1-CD1 3.69Å; I193-L196 PolarHBondContact O-N 3.46Å; I193-L196 VanDerWaalsContact O-N 3.16Å; I193-P213 HydrophobicContact CG2-CG 3.82Å
194	G	95.6	Very high	96.5	Very high	4 Å²	4	39 Å²	39	4%	0.041	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-65.1	-7.4	178.1	0	0	0	0	0	114.8	E191 S192 E215 N218	E191-G194 PolarHBondContact O-N 2.79Å; S192-G194 PolarHBondContact O-N 3.27Å; S192-G194 VanDerWaalsContact O-N 3.09Å; G194-E215 VanDerWaalsContact CA-O 3.28Å; G194-E215 WeakPolarHBondContact CA-O 3.31Å; G194-N218 WeakPolarHBondContact O-CB 3.38Å
195	A	96.3	Very high	96.5	Very high	49 Å²	49	39 Å²	39	41%	0.405	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-81.3	-10.8	175.1	0	0	0	0	0	113.8	T171 S192 I193 L197	T171-A195 HydrophobicContact CG2-CB 4.26Å; S192-A195 WeakPolarHBondContact O-CB 3.47Å; S192-A195 PolarHBondContact O-N 3.36Å; I193-A195 PolarHBondContact O-N 2.9Å; A195-L197 PolarHBondContact O-N 2.9Å
196	L	97.1	Very high	96.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.196	C	C	.	.			trans	-79.2	63.9	178.2	-59.8	179.5	0	0	0	111.4	L173 L176 L179 I193 H198 L199 L219	L173-L196 HydrophobicContact CB-CD2 4.34Å; L173-L196 WeakPolarHBondContact O-CD2 3.31Å; L176-L196 HydrophobicContact CD2-CD1 4.13Å; L179-L196 HydrophobicContact CD2-CD1 4.24Å; I193-L196 HydrophobicContact CD1-CD1 3.69Å; I193-L196 PolarHBondContact O-N 3.46Å; I193-L196 VanDerWaalsContact O-N 3.16Å; L196-H198 PolarHBondContact O-N 3.09Å; L196-L199 HydrophobicContact CB-CB 4.15Å; L196-L199 HydrophobicContact CD1-CD2 4.39Å; L196-L199 VanDerWaalsContact O-CB 3.23Å; L196-L199 WeakPolarHBondContact O-CB 3.47Å; L196-L199 PolarHBondContact O-N 3.23Å; L196-L219 HydrophobicContact CB-CD2 4.22Å; L196-L219 VanDerWaalsContact O-CD2 3.3Å; L196-L219 WeakPolarHBondContact O-CD2 3.32Å
197	L	96.4	Very high	96.5	Very high	98 Å²	98	38.3 Å²	38.3	51%	0.513	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	-168.9	-57.4	178.5	0	0	0	115.1	A195 N221	A195-L197 PolarHBondContact O-N 2.9Å; L197-N221 PolarHBondContact O-ND2 3.22Å
198	H	97.6	Very high	96.6	Very high	100 Å²	100	35.8 Å²	35.8	46%	0.463	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.8	178.9	-72.1	-84.1	0	0	0	113.6	R174 L176 L196 K200	R174-H198 PolarHBondContact O-CD2 2.99Å; L176-H198 CarbonylContact O-C 3.09Å; L196-H198 PolarHBondContact O-N 3.09Å; H198-K200 PolarHBondContact O-N 2.81Å
199	L	98.1	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.			trans	-63.8	129.8	-177.8	-157.6	70.9	0	0	0	110.5	L176 L179 L196 L202 L219 N221 L222	L176-L199 HydrophobicContact CB-CD1 4.42Å; L176-L199 HydrophobicContact CD2-CD1 4.14Å; L176-L199 HydrophobicContact CG-CD1 4.07Å; L176-L199 WeakPolarHBondContact O-CA 3.48Å; L176-L199 PolarHBondContact O-N 2.94Å; L176-L199 VanDerWaalsContact O-N 3.13Å; L179-L199 HydrophobicContact CB-CD1 3.84Å; L196-L199 HydrophobicContact CB-CB 4.15Å; L196-L199 HydrophobicContact CD1-CD2 4.39Å; L196-L199 VanDerWaalsContact O-CB 3.23Å; L196-L199 WeakPolarHBondContact O-CB 3.47Å; L196-L199 PolarHBondContact O-N 3.23Å; L199-L202 HydrophobicContact CD2-CB 3.87Å; L199-L202 HydrophobicContact CD2-CD1 4.2Å; L199-L202 HydrophobicContact CD2-CD2 4.11Å; L199-L202 HydrophobicContact CD2-CG 4.29Å; L199-L219 HydrophobicContact CD2-CD1 4.14Å; L199-N221 CarbonylContact O-C 3.32Å; L199-L222 HydrophobicContact CB-CD1 4.28Å; L199-L222 HydrophobicContact CD2-CD1 4.05Å; L199-L222 HydrophobicContact CG-CD1 3.99Å; L199-L222 WeakPolarHBondContact O-CA 3.2Å; L199-L222 PolarHBondContact O-N 3.29Å; L199-L222 VanDerWaalsContact O-N 3.16Å
200	K	98	Very high	96.8	Very high	64 Å²	64	34.4 Å²	34.4	28%	0.278	19%	0.189	S	C	.	.			trans	-110.2	-42.1	178.2	-65.1	175.8	-169.9	159.3	0	110.4	E177 H198 L222 L223 C224	E177-K200 HydrophobicContact CB-CD 4.34Å; E177-K200 WeakPolarHBondContact O-CA 3.08Å; E177-K200 PolarHBondContact O-N 2.97Å; E177-K200 IonicContact OE1-NZ 3.79Å; E177-K200 PolarHBondContact OE1-NZ 3.09Å; E177-K200 IonicContact OE2-NZ 3.46Å; E177-K200 PolarHBondContact OE2-NZ 2.7Å; H198-K200 PolarHBondContact O-N 2.81Å; K200-L222 WeakPolarHBondContact O-CD1 3.49Å; K200-L223 HydrophobicContact CB-CD1 4.23Å; K200-L223 HydrophobicContact CB-CG 4.29Å; K200-L223 HydrophobicContact CG-CD1 4.43Å; K200-L223 PolarHBondContact O-N 3.46Å; K200-C224 PolarHBondContact O-N 3.49Å
201	D	97.9	Very high	97	Very high	35 Å²	35	37.7 Å²	37.7	19%	0.187	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.3	-177.2	-56.6	-44.3	0	0	0	110.6	E177 E178 L179 W203 C224	E177-D201 PolarHBondContact O-N 3.06Å; E178-D201 HydrophobicContact CG-CB 4.29Å; L179-D201 PolarHBondContact N-O 2.96Å; D201-W203 HydrophobicContact CB-CE3 4.44Å; D201-W203 HydrophobicContact CB-CH2 3.61Å; D201-W203 HydrophobicContact CB-CZ2 3.77Å; D201-W203 HydrophobicContact CB-CZ3 3.97Å; D201-C224 HydrophobicContact CB-CB 4.5Å; D201-C224 VanDerWaalsContact OD1-CB 3.31Å; D201-C224 WeakPolarHBondContact OD1-CB 3.4Å
202	L	98.1	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	110.1	177	179.2	55.2	0	0	0	109.8	L179 L199 L204 I216 L219 L222 C224 L225 D226	L179-L202 HydrophobicContact CB-CD1 4.09Å; L179-L202 HydrophobicContact CD2-CD1 3.96Å; L179-L202 HydrophobicContact CG-CD1 4.06Å; L199-L202 HydrophobicContact CD2-CB 3.87Å; L199-L202 HydrophobicContact CD2-CD1 4.2Å; L199-L202 HydrophobicContact CD2-CD2 4.11Å; L199-L202 HydrophobicContact CD2-CG 4.29Å; L202-L204 HydrophobicContact CD1-CD1 4.07Å; L202-L204 HydrophobicContact CD1-CD2 4.36Å; L202-L204 HydrophobicContact CD1-CG 3.94Å; L202-L204 HydrophobicContact CD2-CD1 3.86Å; L202-L204 HydrophobicContact CG-CD1 3.79Å; L202-L204 HydrophobicContact CG-CG 4.03Å; L202-I216 HydrophobicContact CD2-CD1 3.87Å; L202-L219 HydrophobicContact CD2-CD1 4.22Å; L202-L222 HydrophobicContact CB-CD1 3.83Å; L202-L222 HydrophobicContact CB-CD2 4.47Å; L202-C224 PolarHBondContact N-O 3.05Å; L202-L225 HydrophobicContact CB-CD1 4.09Å; L202-L225 HydrophobicContact CD2-CD1 3.9Å; L202-L225 HydrophobicContact CG-CD1 3.97Å; L202-D226 PolarHBondContact O-N 3Å
203	W	98	Very high	97.4	Very high	21 Å²	21	30.9 Å²	30.9	8%	0.08	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.9	175.6	-56.8	-75.9	0	0	0	110.4	E178 L179 D180 L181 G182 D201	E178-W203 HydrophobicContact CB-CZ3 4.32Å; L179-W203 PolarHBondContact O-N 3.32Å; D180-W203 HydrophobicContact CB-CD2 4.44Å; D180-W203 HydrophobicContact CB-CE3 3.55Å; D180-W203 HydrophobicContact CB-CZ3 4.16Å; L181-W203 CarbonylContact C-O 3.17Å; L181-W203 WeakPolarHBondContact CA-O 3.13Å; L181-W203 WeakPolarHBondContact CB-O 3.3Å; L181-W203 PolarHBondContact N-O 3.26Å; G182-W203 PolarHBondContact N-O 3.41Å; D201-W203 HydrophobicContact CB-CE3 4.44Å; D201-W203 HydrophobicContact CB-CH2 3.61Å; D201-W203 HydrophobicContact CB-CZ2 3.77Å; D201-W203 HydrophobicContact CB-CZ3 3.97Å
204	L	97.9	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.			trans	-129.6	12.2	-178.7	-70	164.2	0	0	0	111.1	L181 L189 L202 N207 L209 L225 D226 V227 N230	L181-L204 HydrophobicContact CB-CD2 3.95Å; L181-L204 HydrophobicContact CD1-CD2 3.9Å; L189-L204 HydrophobicContact CD1-CD1 3.55Å; L189-L204 HydrophobicContact CD1-CD2 4.43Å; L189-L204 HydrophobicContact CD2-CD1 4.41Å; L189-L204 HydrophobicContact CD2-CD2 3.77Å; L202-L204 HydrophobicContact CD1-CD1 4.07Å; L202-L204 HydrophobicContact CD1-CD2 4.36Å; L202-L204 HydrophobicContact CD1-CG 3.94Å; L202-L204 HydrophobicContact CD2-CD1 3.86Å; L202-L204 HydrophobicContact CG-CD1 3.79Å; L202-L204 HydrophobicContact CG-CG 4.03Å; L204-N207 PolarHBondContact O-ND2 3.46Å; L204-L209 HydrophobicContact CB-CD1 4.16Å; L204-L209 HydrophobicContact CD1-CD1 4.27Å; L204-L209 HydrophobicContact CD2-CD1 4.44Å; L204-L225 HydrophobicContact CD1-CD1 4.48Å; L204-D226 CarbonylContact C-O 3.02Å; L204-D226 WeakPolarHBondContact CA-O 3.39Å; L204-D226 WeakPolarHBondContact CB-O 3.07Å; L204-D226 PolarHBondContact N-O 3.48Å; L204-V227 HydrophobicContact CB-CG1 3.94Å; L204-V227 HydrophobicContact CD1-CG1 3.84Å; L204-N230 PolarHBondContact O-ND2 2.81Å
205	D	97.6	Very high	97.6	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.032	20%	0.197	C	C	.	.			trans	-55.9	145.1	-179.8	65.1	-69.1	0	0	0	111.8	R159 G182 N183 N207 D226 S228 R477	R159-D205 IonicContact CZ-OD2 2.66Å; R159-D205 VanDerWaalsContact CZ-OD2 3.23Å; R159-D205 VanDerWaalsContact NH1-CG 3.26Å; R159-D205 IonicContact NH1-OD1 2.96Å; R159-D205 PolarHBondContact NH1-OD1 3.29Å; R159-D205 IonicContact NH1-OD2 3.12Å; R159-D205 PolarHBondContact NH1-OD2 3.48Å; R159-D205 IonicContact NH2-OD2 3.27Å; R159-D205 PolarHBondContact NH2-OD2 2.73Å; G182-D205 CarbonylContact C-O 3.58Å; G182-D205 WeakPolarHBondContact CA-O 3.42Å; N183-D205 PolarHBondContact N-O 2.83Å; D205-N207 PolarHBondContact O-ND2 2.89Å; D205-D226 PolarHBondContact N-O 3.47Å; D205-S228 CarbonylContact C-O 3.5Å; D205-S228 WeakPolarHBondContact CA-O 3.46Å; D205-S228 WeakPolarHBondContact CB-OG 3.38Å; D205-R477 IonicContact OD1-CZ 2.77Å; D205-R477 IonicContact OD1-NH1 3.43Å; D205-R477 PolarHBondContact OD1-NH1 2.87Å; D205-R477 IonicContact OD1-NH2 3.88Å; D205-R477 PolarHBondContact OD1-NH2 2.76Å; D205-R477 IonicContact OD2-NH1 2.76Å; D205-R477 PolarHBondContact OD2-NH1 3.05Å
206	G	96.2	Very high	97.7	Very high	14 Å²	14	35 Å²	35	14%	0.144	18%	0.177	C	C	.	.	S	Bend	trans	67.1	44.1	174.1	0	0	0	0	0	114	N183 N184 S228 E229	N183-G206 CarbonylContact C-O 3.38Å; N183-G206 VanDerWaalsContact CA-O 3.24Å; N183-G206 WeakPolarHBondContact CA-O 3.18Å; N184-G206 PolarHBondContact N-O 3.11Å; G206-S228 PolarHBondContact N-O 2.92Å; G206-E229 VanDerWaalsContact CA-O 3.28Å; G206-E229 WeakPolarHBondContact CA-O 3.25Å; G206-E229 PolarHBondContact N-O 2.8Å
207	N	98.3	Very high	97.8	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.059	18%	0.181	C	C	.	.	S	Bend	trans	-119.4	-165.5	177	-85.3	-74.8	0	0	0	111	L181 N184 E185 I186 L204 D205 L209 E229 N230	L181-N207 PolarHBondContact O-ND2 3.01Å; N184-N207 VanDerWaalsContact CA-OD1 3.32Å; N184-N207 WeakPolarHBondContact CA-OD1 3.2Å; N184-N207 WeakPolarHBondContact CB-OD1 3.44Å; N184-N207 PolarHBondContact N-OD1 2.75Å; E185-N207 PolarHBondContact N-OD1 2.83Å; I186-N207 HydrophobicContact CB-CB 4.45Å; I186-N207 WeakPolarHBondContact CB-OD1 3.5Å; I186-N207 WeakPolarHBondContact CG1-OD1 3.18Å; I186-N207 PolarHBondContact N-OD1 2.96Å; L204-N207 PolarHBondContact O-ND2 3.46Å; D205-N207 PolarHBondContact O-ND2 2.89Å; N207-L209 HydrophobicContact CB-CG 4.31Å; N207-E229 PolarHBondContact N-O 3.48Å; N207-N230 WeakPolarHBondContact CA-OD1 3.39Å; N207-N230 WeakPolarHBondContact CB-OD1 3.24Å; N207-N230 PolarHBondContact O-OD1 2.63Å
208	Q	98	Very high	97.9	Very high	65 Å²	65	34.4 Å²	34.4	30%	0.304	18%	0.176	S	C	.	.			trans	-117.8	23.7	-179.2	-56.9	-175.9	27	0	0	112.4	I186 S210 N230	I186-Q208 CarbonylContact O-C 3.58Å; I186-Q208 VanDerWaalsContact O-C 3.32Å; I186-Q208 WeakPolarHBondContact O-CA 3.35Å; I186-Q208 PolarHBondContact O-N 3.39Å; Q208-S210 PolarHBondContact O-N 2.96Å; Q208-N230 PolarHBondContact N-OD1 2.77Å
209	L	98.4	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.			trans	-64.2	125	-175.9	-61.7	172.6	0	0	0	110.9	I186 L189 L204 N207 L212 N230 R231 L232	I186-L209 HydrophobicContact CG2-CD2 3.92Å; I186-L209 PolarHBondContact O-N 2.69Å; L189-L209 HydrophobicContact CD1-CD1 4.24Å; L189-L209 HydrophobicContact CD2-CD2 4.48Å; L189-L209 HydrophobicContact CG-CD1 4.31Å; L189-L209 HydrophobicContact CG-CD2 3.91Å; L204-L209 HydrophobicContact CB-CD1 4.16Å; L204-L209 HydrophobicContact CD1-CD1 4.27Å; L204-L209 HydrophobicContact CD2-CD1 4.44Å; N207-L209 HydrophobicContact CB-CG 4.31Å; L209-L212 HydrophobicContact CD1-CD2 4.17Å; L209-N230 HydrophobicContact CB-CB 4.3Å; L209-N230 VanDerWaalsContact CB-OD1 3.27Å; L209-N230 WeakPolarHBondContact CB-OD1 3.17Å; L209-N230 WeakPolarHBondContact CG-OD1 3.34Å; L209-N230 PolarHBondContact N-OD1 2.9Å; L209-R231 CarbonylContact O-C 3.32Å; L209-R231 VanDerWaalsContact O-CA 3.27Å; L209-R231 WeakPolarHBondContact O-CA 3.28Å; L209-R231 PolarHBondContact O-N 3.4Å; L209-L232 HydrophobicContact CB-CD2 4.02Å; L209-L232 PolarHBondContact O-N 3.16Å
210	S	97.4	Very high	97.9	Very high	58 Å²	58	35.6 Å²	35.6	41%	0.406	18%	0.18	S	C	.	.	S	Bend	trans	-90.9	-25.9	171.9	52.6	0	0	0	0	113.4	Q208	Q208-S210 PolarHBondContact O-N 2.96Å
211	E	97.8	Very high	97.9	Very high	95 Å²	95	36.2 Å²	36.2	44%	0.444	19%	0.187	S	C	.	.			trans	-149.8	161.9	175.9	61.3	-176.5	-163.2	0	0	111.4
212	L	98.3	Very high	97.9	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.047	18%	0.178	C	C	.	.			trans	-103.8	139.4	167.4	-61.4	176.5	0	0	0	109.1	L189 L209 V227 L232 L235 P236	L189-L212 HydrophobicContact CD1-CD2 3.86Å; L209-L212 HydrophobicContact CD1-CD2 4.17Å; L212-V227 HydrophobicContact CD1-CG1 4.27Å; L212-V227 HydrophobicContact CD1-CG2 4.5Å; L212-V227 HydrophobicContact CD2-CG1 4.05Å; L212-L232 HydrophobicContact CD1-CD1 4.37Å; L212-L232 HydrophobicContact CD2-CD2 4.39Å; L212-L232 HydrophobicContact CG-CD1 4.25Å; L212-L232 HydrophobicContact CG-CD2 4.1Å; L212-L235 HydrophobicContact CD1-CD2 3.97Å; L212-P236 HydrophobicContact CB-CG 4.2Å
213	P	97.3	Very high	97.9	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.104	19%	0.192	C	C	.	.			trans	-65.1	147.7	175.3	27.8	-34.3	0	0	0	110.6	L189 I193 E215 I216	L189-P213 HydrophobicContact CB-CG 4.04Å; I193-P213 HydrophobicContact CG2-CG 3.82Å; P213-E215 PolarHBondContact O-N 3.37Å; P213-E215 VanDerWaalsContact O-N 3.16Å; P213-I216 WeakPolarHBondContact O-CB 3.5Å; P213-I216 WeakPolarHBondContact O-CG2 3.41Å; P213-I216 PolarHBondContact O-N 3.26Å; P213-I216 VanDerWaalsContact O-N 3.07Å
214	Q	98	Very high	97.9	Very high	108 Å²	108	36.4 Å²	36.4	51%	0.505	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-58.1	-30.1	177.8	65.9	-179.3	-0.6	0	0	111.8	I216 G217 E238	Q214-I216 PolarHBondContact O-N 3.38Å; Q214-I216 VanDerWaalsContact O-N 3.1Å; Q214-G217 PolarHBondContact O-N 3.48Å; Q214-G217 VanDerWaalsContact O-N 3.09Å; Q214-E238 HydrophobicContact CB-CB 4.37Å; Q214-E238 HydrophobicContact CB-CG 3.9Å; Q214-E238 WeakPolarHBondContact O-CB 3.08Å
215	E	97.9	Very high	97.9	Very high	33 Å²	33	36.4 Å²	36.4	15%	0.154	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.4	-14	179.9	-68.1	71.9	-154.4	0	0	113.1	E191 G194 P213 G217 N218	E191-E215 HydrophobicContact CB-CG 4.12Å; E191-E215 WeakPolarHBondContact O-CB 3.46Å; E191-E215 WeakPolarHBondContact O-CG 3.18Å; G194-E215 VanDerWaalsContact CA-O 3.28Å; G194-E215 WeakPolarHBondContact CA-O 3.31Å; P213-E215 PolarHBondContact O-N 3.37Å; P213-E215 VanDerWaalsContact O-N 3.16Å; E215-G217 PolarHBondContact O-N 3.4Å; E215-G217 VanDerWaalsContact O-N 3.16Å; E215-N218 VanDerWaalsContact O-CB 3.23Å; E215-N218 WeakPolarHBondContact O-CB 3.39Å; E215-N218 PolarHBondContact O-N 2.97Å; E215-N218 PolarHBondContact O-ND2 3.25Å
216	I	98	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-53.4	-34.3	170.3	-160.6	73.4	0	0	0	110.9	L202 P213 Q214 N218 L219 P236 I239 L242	L202-I216 HydrophobicContact CD2-CD1 3.87Å; P213-I216 WeakPolarHBondContact O-CB 3.5Å; P213-I216 WeakPolarHBondContact O-CG2 3.41Å; P213-I216 PolarHBondContact O-N 3.26Å; P213-I216 VanDerWaalsContact O-N 3.07Å; Q214-I216 PolarHBondContact O-N 3.38Å; Q214-I216 VanDerWaalsContact O-N 3.1Å; I216-N218 PolarHBondContact O-N 3.04Å; I216-L219 HydrophobicContact CD1-CD1 3.65Å; I216-L219 HydrophobicContact CG1-CD1 4.37Å; I216-L219 WeakPolarHBondContact O-CB 3.35Å; I216-L219 WeakPolarHBondContact O-CG 3.34Å; I216-L219 PolarHBondContact O-N 3.03Å; I216-L219 VanDerWaalsContact O-N 3.1Å; I216-P236 HydrophobicContact CG2-CG 3.94Å; I216-I239 HydrophobicContact CG2-CD1 4.36Å; I216-L242 WeakPolarHBondContact O-CD2 3.21Å
217	G	98.1	Very high	98.1	Very high	7 Å²	7	36.3 Å²	36.3	7%	0.072	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-62.5	-11.9	176.6	0	0	0	0	0	115.2	Q214 E215 L219 E238 G241	Q214-G217 PolarHBondContact O-N 3.48Å; Q214-G217 VanDerWaalsContact O-N 3.09Å; E215-G217 PolarHBondContact O-N 3.4Å; E215-G217 VanDerWaalsContact O-N 3.16Å; G217-L219 VanDerWaalsContact C-N 3.32Å; G217-E238 WeakPolarHBondContact CA-O 3.32Å; G217-G241 CarbonylContact O-C 3.06Å; G217-G241 WeakPolarHBondContact O-CA 3.26Å
218	N	98.3	Very high	98.1	Very high	80 Å²	80	36.2 Å²	36.2	43%	0.428	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-78.8	-15.7	176.2	-65.4	-34.4	0	0	0	113.1	G194 E215 I216 K220	G194-N218 WeakPolarHBondContact O-CB 3.38Å; E215-N218 VanDerWaalsContact O-CB 3.23Å; E215-N218 WeakPolarHBondContact O-CB 3.39Å; E215-N218 PolarHBondContact O-N 2.97Å; E215-N218 PolarHBondContact O-ND2 3.25Å; I216-N218 PolarHBondContact O-N 3.04Å; N218-K220 PolarHBondContact O-N 3.37Å
219	L	98.2	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.			trans	-77.8	64.6	-177.8	-55.4	179.6	0	0	0	111.8	L196 L199 L202 I216 G217 N221 L222 L242	L196-L219 HydrophobicContact CB-CD2 4.22Å; L196-L219 VanDerWaalsContact O-CD2 3.3Å; L196-L219 WeakPolarHBondContact O-CD2 3.32Å; L199-L219 HydrophobicContact CD2-CD1 4.14Å; L202-L219 HydrophobicContact CD2-CD1 4.22Å; I216-L219 HydrophobicContact CD1-CD1 3.65Å; I216-L219 HydrophobicContact CG1-CD1 4.37Å; I216-L219 WeakPolarHBondContact O-CB 3.35Å; I216-L219 WeakPolarHBondContact O-CG 3.34Å; I216-L219 PolarHBondContact O-N 3.03Å; I216-L219 VanDerWaalsContact O-N 3.1Å; G217-L219 VanDerWaalsContact C-N 3.32Å; L219-N221 PolarHBondContact O-N 3.3Å; L219-N221 VanDerWaalsContact O-N 3.14Å; L219-L222 HydrophobicContact CB-CB 4.01Å; L219-L222 HydrophobicContact CB-CD2 4.44Å; L219-L222 HydrophobicContact CD1-CD2 4.29Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.41Å; L219-L242 HydrophobicContact CB-CD2 3.8Å; L219-L242 WeakPolarHBondContact O-CD2 3.22Å
220	K	98.1	Very high	98	Very high	125 Å²	125	37.9 Å²	37.9	54%	0.543	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.7	-172.8	-65.3	176	-176.6	177	0	114.9	N218 S244	N218-K220 PolarHBondContact O-N 3.37Å; K220-S244 WeakPolarHBondContact O-CB 3.49Å; K220-S244 PolarHBondContact O-N 3.06Å; K220-S244 PolarHBondContact O-OG 2.92Å
221	N	98.1	Very high	98.1	Very high	78 Å²	78	41.8 Å²	41.8	42%	0.417	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.9	177.3	-68.8	-35.4	0	0	0	112.9	L197 L199 L219 L223	L197-N221 PolarHBondContact O-ND2 3.22Å; L199-N221 CarbonylContact O-C 3.32Å; L219-N221 PolarHBondContact O-N 3.3Å; L219-N221 VanDerWaalsContact O-N 3.14Å; N221-L223 PolarHBondContact O-N 3.38Å
222	L	98.6	Very high	98.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.			trans	-64.4	128	179.9	-158.2	72.8	0	0	0	109.6	L199 K200 L202 L219 L225 L242 S244 L245	L199-L222 HydrophobicContact CB-CD1 4.28Å; L199-L222 HydrophobicContact CD2-CD1 4.05Å; L199-L222 HydrophobicContact CG-CD1 3.99Å; L199-L222 WeakPolarHBondContact O-CA 3.2Å; L199-L222 PolarHBondContact O-N 3.29Å; L199-L222 VanDerWaalsContact O-N 3.16Å; K200-L222 WeakPolarHBondContact O-CD1 3.49Å; L202-L222 HydrophobicContact CB-CD1 3.83Å; L202-L222 HydrophobicContact CB-CD2 4.47Å; L219-L222 HydrophobicContact CB-CB 4.01Å; L219-L222 HydrophobicContact CB-CD2 4.44Å; L219-L222 HydrophobicContact CD1-CD2 4.29Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.41Å; L222-L225 HydrophobicContact CD2-CB 3.88Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 HydrophobicContact CD2-CD2 4.47Å; L222-L225 HydrophobicContact CD2-CG 4.44Å; L222-L242 HydrophobicContact CB-CD2 4.2Å; L222-L242 HydrophobicContact CD2-CD1 4.18Å; L222-L242 HydrophobicContact CD2-CD2 4.03Å; L222-S244 CarbonylContact O-C 3.11Å; L222-L245 HydrophobicContact CB-CD1 4.4Å; L222-L245 HydrophobicContact CD2-CD1 4.14Å; L222-L245 HydrophobicContact CG-CD1 4.17Å; L222-L245 VanDerWaalsContact O-CA 3.24Å; L222-L245 WeakPolarHBondContact O-CA 3.38Å; L222-L245 PolarHBondContact O-N 2.82Å
223	L	98.1	Very high	98.1	Very high	55 Å²	55	43.2 Å²	43.2	29%	0.288	21%	0.206	S	C	.	.			trans	-103.3	-45.9	178.9	-56.7	-180	0	0	0	109.5	K200 N221 S244 L245 T246 D247	K200-L223 HydrophobicContact CB-CD1 4.23Å; K200-L223 HydrophobicContact CB-CG 4.29Å; K200-L223 HydrophobicContact CG-CD1 4.43Å; K200-L223 PolarHBondContact O-N 3.46Å; N221-L223 PolarHBondContact O-N 3.38Å; L223-S244 WeakPolarHBondContact CD2-O 3.11Å; L223-L245 WeakPolarHBondContact O-CD1 3.49Å; L223-T246 PolarHBondContact O-N 3.03Å; L223-T246 PolarHBondContact O-OG1 2.83Å; L223-T246 VanDerWaalsContact O-OG1 3.07Å; L223-D247 PolarHBondContact O-N 3.02Å
224	C	97.6	Very high	98.1	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.7	179.3	174	0	0	0	0	111.8	K200 D201 L202 D247 L475	K200-C224 PolarHBondContact O-N 3.49Å; D201-C224 HydrophobicContact CB-CB 4.5Å; D201-C224 VanDerWaalsContact OD1-CB 3.31Å; D201-C224 WeakPolarHBondContact OD1-CB 3.4Å; L202-C224 PolarHBondContact N-O 3.05Å; C224-D247 HydrophobicContact CB-CB 4.34Å; C224-L475 HydrophobicContact CB-CD2 4.22Å; C224-L475 WeakPolarHBondContact SG-CD2 3.18Å
225	L	98.6	Very high	98.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.9	166.8	-179.7	59	0	0	0	109.7	L202 L204 L222 V227 I239 L242 L245 D247 L248 V249	L202-L225 HydrophobicContact CB-CD1 4.09Å; L202-L225 HydrophobicContact CD2-CD1 3.9Å; L202-L225 HydrophobicContact CG-CD1 3.97Å; L204-L225 HydrophobicContact CD1-CD1 4.48Å; L222-L225 HydrophobicContact CD2-CB 3.88Å; L222-L225 HydrophobicContact CD2-CD1 4.28Å; L222-L225 HydrophobicContact CD2-CD2 4.47Å; L222-L225 HydrophobicContact CD2-CG 4.44Å; L225-V227 HydrophobicContact CD1-CG1 3.79Å; L225-V227 HydrophobicContact CG-CG1 4.12Å; L225-I239 HydrophobicContact CD2-CD1 3.93Å; L225-L242 HydrophobicContact CD2-CD1 3.93Å; L225-L245 HydrophobicContact CB-CD1 3.94Å; L225-D247 PolarHBondContact N-O 2.84Å; L225-L248 HydrophobicContact CB-CD1 4.04Å; L225-L248 HydrophobicContact CD2-CD1 3.92Å; L225-L248 HydrophobicContact CG-CD1 4.09Å; L225-V249 PolarHBondContact O-N 3.01Å
226	D	98.4	Very high	98.1	Very high	18 Å²	18	44.9 Å²	44.9	10%	0.096	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.2	170.7	-164.7	-14.7	0	0	0	109.9	L202 L204 D205 S228 V249	L202-D226 PolarHBondContact O-N 3Å; L204-D226 CarbonylContact C-O 3.02Å; L204-D226 WeakPolarHBondContact CA-O 3.39Å; L204-D226 WeakPolarHBondContact CB-O 3.07Å; L204-D226 PolarHBondContact N-O 3.48Å; D205-D226 PolarHBondContact N-O 3.47Å; D226-S228 WeakPolarHBondContact OD1-CB 3.2Å; D226-S228 PolarHBondContact OD1-N 2.91Å; D226-S228 PolarHBondContact OD1-OG 3.48Å; D226-S228 VanDerWaalsContact OD1-OG 3.08Å; D226-V249 HydrophobicContact CB-CB 4.32Å
227	V	98.4	Very high	98.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.			trans	-126.2	27.1	174.7	-64.8	0	0	0	0	110.3	L204 L212 L225 N230 L232 V249 I250 N253	L204-V227 HydrophobicContact CB-CG1 3.94Å; L204-V227 HydrophobicContact CD1-CG1 3.84Å; L212-V227 HydrophobicContact CD1-CG1 4.27Å; L212-V227 HydrophobicContact CD1-CG2 4.5Å; L212-V227 HydrophobicContact CD2-CG1 4.05Å; L225-V227 HydrophobicContact CD1-CG1 3.79Å; L225-V227 HydrophobicContact CG-CG1 4.12Å; V227-N230 PolarHBondContact O-ND2 3.07Å; V227-N230 VanDerWaalsContact O-ND2 3.17Å; V227-L232 HydrophobicContact CB-CD1 3.97Å; V227-L232 HydrophobicContact CG2-CD1 3.67Å; V227-V249 PolarHBondContact N-O 2.75Å; V227-I250 HydrophobicContact CG2-CB 4.04Å; V227-I250 HydrophobicContact CG2-CG2 3.34Å; V227-N253 PolarHBondContact O-ND2 2.89Å
228	S	97.6	Very high	98.1	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.063	25%	0.245	C	C	.	.			trans	-63.4	164.5	178.5	68.5	0	0	0	0	112.6	D205 G206 D226 N230 S251	D205-S228 CarbonylContact C-O 3.5Å; D205-S228 WeakPolarHBondContact CA-O 3.46Å; D205-S228 WeakPolarHBondContact CB-OG 3.38Å; G206-S228 PolarHBondContact N-O 2.92Å; D226-S228 WeakPolarHBondContact OD1-CB 3.2Å; D226-S228 PolarHBondContact OD1-N 2.91Å; D226-S228 PolarHBondContact OD1-OG 3.48Å; D226-S228 VanDerWaalsContact OD1-OG 3.08Å; S228-N230 VanDerWaalsContact C-N 3.3Å; S228-N230 PolarHBondContact O-N 3.47Å; S228-N230 PolarHBondContact O-ND2 2.87Å; S228-S251 CarbonylContact C-O 3.5Å; S228-S251 WeakPolarHBondContact CA-O 3.21Å; S228-S251 VanDerWaalsContact CB-O 3.23Å; S228-S251 WeakPolarHBondContact CB-O 3.47Å
229	E	97.5	Very high	98.1	Very high	88 Å²	88	49.4 Å²	49.4	41%	0.411	22%	0.224	S	C	.	.	S	Bend	trans	54.7	47.8	173.8	-61.9	176.7	-127.4	0	0	112.1	G206 N207 S251 Q252	G206-E229 VanDerWaalsContact CA-O 3.28Å; G206-E229 WeakPolarHBondContact CA-O 3.25Å; G206-E229 PolarHBondContact N-O 2.8Å; N207-E229 PolarHBondContact N-O 3.48Å; E229-S251 PolarHBondContact N-O 2.77Å; E229-Q252 VanDerWaalsContact CA-O 3.29Å; E229-Q252 WeakPolarHBondContact CA-O 3.44Å; E229-Q252 HydrophobicContact CB-CB 4.47Å; E229-Q252 HydrophobicContact CG-CB 3.82Å; E229-Q252 HydrophobicContact CG-CG 4.28Å; E229-Q252 PolarHBondContact N-O 3.24Å
230	N	98.6	Very high	98	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.064	23%	0.229	C	C	.	.	S	Bend	trans	-124.7	-164.2	177.2	-86.9	-81.8	0	0	0	109.5	L204 N207 Q208 L209 V227 S228 L232 Q252 N253	L204-N230 PolarHBondContact O-ND2 2.81Å; N207-N230 WeakPolarHBondContact CA-OD1 3.39Å; N207-N230 WeakPolarHBondContact CB-OD1 3.24Å; N207-N230 PolarHBondContact O-OD1 2.63Å; Q208-N230 PolarHBondContact N-OD1 2.77Å; L209-N230 HydrophobicContact CB-CB 4.3Å; L209-N230 VanDerWaalsContact CB-OD1 3.27Å; L209-N230 WeakPolarHBondContact CB-OD1 3.17Å; L209-N230 WeakPolarHBondContact CG-OD1 3.34Å; L209-N230 PolarHBondContact N-OD1 2.9Å; V227-N230 PolarHBondContact O-ND2 3.07Å; V227-N230 VanDerWaalsContact O-ND2 3.17Å; S228-N230 VanDerWaalsContact C-N 3.3Å; S228-N230 PolarHBondContact O-N 3.47Å; S228-N230 PolarHBondContact O-ND2 2.87Å; N230-L232 HydrophobicContact CB-CG 4.23Å; N230-Q252 PolarHBondContact N-O 3.01Å; N230-N253 WeakPolarHBondContact CA-OD1 3.48Å; N230-N253 WeakPolarHBondContact CB-OD1 3.47Å; N230-N253 PolarHBondContact O-OD1 3.15Å
231	R	98.3	Very high	98.1	Very high	140 Å²	140	45.1 Å²	45.1	53%	0.528	21%	0.213	S	C	.	.			trans	-120.5	29.5	179.8	-57.3	-179.9	-175.3	169.8	5	111.6	L209 E233 N253 L254	L209-R231 CarbonylContact O-C 3.32Å; L209-R231 VanDerWaalsContact O-CA 3.27Å; L209-R231 WeakPolarHBondContact O-CA 3.28Å; L209-R231 PolarHBondContact O-N 3.4Å; R231-E233 PolarHBondContact O-N 3.42Å; R231-N253 PolarHBondContact N-OD1 2.99Å; R231-L254 HydrophobicContact CB-CD1 4.36Å
232	L	98.6	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.193	C	C	.	.			trans	-66.5	120.9	-176.3	-60.6	175.7	0	0	0	110.5	L209 L212 V227 N230 L235 N253 L254 L255	L209-L232 HydrophobicContact CB-CD2 4.02Å; L209-L232 PolarHBondContact O-N 3.16Å; L212-L232 HydrophobicContact CD1-CD1 4.37Å; L212-L232 HydrophobicContact CD2-CD2 4.39Å; L212-L232 HydrophobicContact CG-CD1 4.25Å; L212-L232 HydrophobicContact CG-CD2 4.1Å; V227-L232 HydrophobicContact CB-CD1 3.97Å; V227-L232 HydrophobicContact CG2-CD1 3.67Å; N230-L232 HydrophobicContact CB-CG 4.23Å; L232-L235 HydrophobicContact CD1-CD2 4.38Å; L232-N253 HydrophobicContact CB-CB 4.26Å; L232-N253 VanDerWaalsContact CB-OD1 3.29Å; L232-N253 WeakPolarHBondContact CB-OD1 3.44Å; L232-N253 WeakPolarHBondContact CG-OD1 3.47Å; L232-N253 PolarHBondContact N-OD1 2.93Å; L232-L254 CarbonylContact O-C 3.56Å; L232-L254 VanDerWaalsContact O-C 3.23Å; L232-L254 VanDerWaalsContact O-CA 3.3Å; L232-L254 WeakPolarHBondContact O-CA 3.46Å; L232-L254 WeakPolarHBondContact O-CB 3.33Å; L232-L254 PolarHBondContact O-N 3.27Å; L232-L255 HydrophobicContact CB-CD2 4.1Å; L232-L255 PolarHBondContact O-N 2.93Å
233	E	97.8	Very high	98	Very high	133 Å²	133	45 Å²	45	62%	0.621	22%	0.215	S	C	*	.	S	Bend	trans	-88.3	-25.5	174.5	-64.7	-176.1	-176	0	0	112.3	R231 L254	R231-E233 PolarHBondContact O-N 3.42Å; E233-L254 HydrophobicContact CG-CB 4.35Å
234	R	97.8	Very high	98.1	Very high	162 Å²	162	43.1 Å²	43.1	61%	0.611	21%	0.207	S	C	*	.			trans	-151.4	157.3	179.3	57.8	-176.4	163.5	-175.3	-3.3	111.3
235	L	98.2	Very high	98.1	Very high	11 Å²	11	43 Å²	43	6%	0.058	21%	0.206	C	C	.	.			trans	-97.6	145.8	163.1	-65.9	179.6	0	0	0	110.1	L212 L232 I250 L255 I258 P259	L212-L235 HydrophobicContact CD1-CD2 3.97Å; L232-L235 HydrophobicContact CD1-CD2 4.38Å; L235-I250 HydrophobicContact CD1-CD1 3.62Å; L235-I250 HydrophobicContact CG-CD1 4.4Å; L235-L255 HydrophobicContact CG-CD1 4.41Å; L235-L255 HydrophobicContact CG-CD2 4.28Å; L235-I258 HydrophobicContact CD1-CD1 4.33Å; L235-P259 HydrophobicContact CB-CG 4.01Å
236	P	97.7	Very high	98.1	Very high	20 Å²	20	44.9 Å²	44.9	13%	0.13	22%	0.218	C	C	.	.			trans	-67.6	149.3	171.1	28.7	-34	0	0	0	111.3	L212 I216 E238 I239	L212-P236 HydrophobicContact CB-CG 4.2Å; I216-P236 HydrophobicContact CG2-CG 3.94Å; P236-E238 WeakPolarHBondContact CB-OE2 3.48Å; P236-E238 PolarHBondContact O-N 3.34Å; P236-I239 WeakPolarHBondContact O-CB 3.37Å; P236-I239 VanDerWaalsContact O-CG2 3.26Å; P236-I239 WeakPolarHBondContact O-CG2 3.47Å; P236-I239 PolarHBondContact O-N 3.32Å; P236-I239 VanDerWaalsContact O-N 3.12Å
237	E	97.3	Very high	98.1	Very high	99 Å²	99	44.5 Å²	44.5	46%	0.463	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-63.8	-25.4	175.3	-76.9	-66.5	158.2	0	0	112	I239 S240 P259 G261	E237-I239 PolarHBondContact O-N 3.18Å; E237-S240 WeakPolarHBondContact O-CB 3.22Å; E237-S240 PolarHBondContact O-N 3.08Å; E237-S240 PolarHBondContact O-OG 3Å; E237-P259 VanDerWaalsContact CD-CB 3.43Å; E237-P259 HydrophobicContact CG-CB 4.4Å; E237-P259 WeakPolarHBondContact OE1-CB 3.37Å; E237-G261 PolarHBondContact OE2-N 2.92Å
238	E	98.3	Very high	98.1	Very high	82 Å²	82	44.6 Å²	44.6	38%	0.383	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-65.7	-12.4	176	-67	73.1	-158.1	0	0	113	Q214 G217 P236 S240 G241	Q214-E238 HydrophobicContact CB-CB 4.37Å; Q214-E238 HydrophobicContact CB-CG 3.9Å; Q214-E238 WeakPolarHBondContact O-CB 3.08Å; G217-E238 WeakPolarHBondContact CA-O 3.32Å; P236-E238 WeakPolarHBondContact CB-OE2 3.48Å; P236-E238 PolarHBondContact O-N 3.34Å; E238-S240 PolarHBondContact O-N 3Å; E238-G241 PolarHBondContact O-N 3.15Å
239	I	97.9	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-52.6	-28	169.1	-158.9	73.8	0	0	0	111.5	I216 L225 P236 E237 G241 L242 P259	I216-I239 HydrophobicContact CG2-CD1 4.36Å; L225-I239 HydrophobicContact CD2-CD1 3.93Å; P236-I239 WeakPolarHBondContact O-CB 3.37Å; P236-I239 VanDerWaalsContact O-CG2 3.26Å; P236-I239 WeakPolarHBondContact O-CG2 3.47Å; P236-I239 PolarHBondContact O-N 3.32Å; P236-I239 VanDerWaalsContact O-N 3.12Å; E237-I239 PolarHBondContact O-N 3.18Å; I239-G241 PolarHBondContact O-N 3.16Å; I239-G241 VanDerWaalsContact O-N 3.12Å; I239-L242 HydrophobicContact CD1-CD1 3.44Å; I239-L242 VanDerWaalsContact CD1-CD1 3.44Å; I239-L242 HydrophobicContact CD1-CG 4.39Å; I239-L242 HydrophobicContact CG1-CD1 4.02Å; I239-L242 WeakPolarHBondContact O-CB 3.49Å; I239-L242 WeakPolarHBondContact O-CG 3.41Å; I239-L242 PolarHBondContact O-N 3.24Å; I239-L242 VanDerWaalsContact O-N 3.12Å; I239-P259 HydrophobicContact CG2-CG 3.86Å
240	S	97.8	Very high	98.1	Very high	15 Å²	15	40.5 Å²	40.5	11%	0.105	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-64	-11.7	174.9	70.5	0	0	0	0	114.9	E237 E238 G261 K264	E237-S240 WeakPolarHBondContact O-CB 3.22Å; E237-S240 PolarHBondContact O-N 3.08Å; E237-S240 PolarHBondContact O-OG 3Å; E238-S240 PolarHBondContact O-N 3Å; S240-G261 WeakPolarHBondContact CB-O 3.4Å; S240-K264 PolarHBondContact OG-NZ 3.07Å; S240-K264 VanDerWaalsContact OG-NZ 3.07Å
241	G	98.4	Very high	98.1	Very high	20 Å²	20	40.3 Å²	40.3	21%	0.206	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-78.6	-14.3	173.5	0	0	0	0	0	114.5	G217 E238 I239 T243	G217-G241 CarbonylContact O-C 3.06Å; G217-G241 WeakPolarHBondContact O-CA 3.26Å; E238-G241 PolarHBondContact O-N 3.15Å; I239-G241 PolarHBondContact O-N 3.16Å; I239-G241 VanDerWaalsContact O-N 3.12Å; G241-T243 PolarHBondContact O-N 2.67Å
242	L	98.6	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.			trans	-74.5	58.3	176.7	-57.4	-179	0	0	0	111.8	I216 L219 L222 L225 I239 S244 L245 L265	I216-L242 WeakPolarHBondContact O-CD2 3.21Å; L219-L242 HydrophobicContact CB-CD2 3.8Å; L219-L242 WeakPolarHBondContact O-CD2 3.22Å; L222-L242 HydrophobicContact CB-CD2 4.2Å; L222-L242 HydrophobicContact CD2-CD1 4.18Å; L222-L242 HydrophobicContact CD2-CD2 4.03Å; L225-L242 HydrophobicContact CD2-CD1 3.93Å; I239-L242 HydrophobicContact CD1-CD1 3.44Å; I239-L242 VanDerWaalsContact CD1-CD1 3.44Å; I239-L242 HydrophobicContact CD1-CG 4.39Å; I239-L242 HydrophobicContact CG1-CD1 4.02Å; I239-L242 WeakPolarHBondContact O-CB 3.49Å; I239-L242 WeakPolarHBondContact O-CG 3.41Å; I239-L242 PolarHBondContact O-N 3.24Å; I239-L242 VanDerWaalsContact O-N 3.12Å; L242-S244 PolarHBondContact O-N 2.73Å; L242-L245 HydrophobicContact CB-CB 3.95Å; L242-L245 HydrophobicContact CB-CD2 4.27Å; L242-L245 HydrophobicContact CD1-CD1 4.27Å; L242-L245 HydrophobicContact CD1-CD2 3.92Å; L242-L245 WeakPolarHBondContact O-CB 3.19Å; L242-L245 PolarHBondContact O-N 3.03Å; L242-L265 HydrophobicContact CB-CD2 4.28Å; L242-L265 WeakPolarHBondContact O-CD2 3.21Å
243	T	97.8	Very high	98	Very high	75 Å²	75	37.7 Å²	37.7	46%	0.46	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.2	-167.6	55.9	0	0	0	0	115.2	G241	G241-T243 PolarHBondContact O-N 2.67Å
244	S	98.4	Very high	98.1	Very high	17 Å²	17	33.9 Å²	33.9	12%	0.119	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-4.3	174.5	-59.6	0	0	0	0	114.4	K220 L222 L223 L242 T246	K220-S244 WeakPolarHBondContact O-CB 3.49Å; K220-S244 PolarHBondContact O-N 3.06Å; K220-S244 PolarHBondContact O-OG 2.92Å; L222-S244 CarbonylContact O-C 3.11Å; L223-S244 WeakPolarHBondContact CD2-O 3.11Å; L242-S244 PolarHBondContact O-N 2.73Å; S244-T246 PolarHBondContact O-N 2.96Å
245	L	98.6	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.			trans	-61.9	129.1	-171.5	-160.3	74	0	0	0	111.5	L222 L223 L225 L242 L248 L265 K267 L268	L222-L245 HydrophobicContact CB-CD1 4.4Å; L222-L245 HydrophobicContact CD2-CD1 4.14Å; L222-L245 HydrophobicContact CG-CD1 4.17Å; L222-L245 VanDerWaalsContact O-CA 3.24Å; L222-L245 WeakPolarHBondContact O-CA 3.38Å; L222-L245 PolarHBondContact O-N 2.82Å; L223-L245 WeakPolarHBondContact O-CD1 3.49Å; L225-L245 HydrophobicContact CB-CD1 3.94Å; L242-L245 HydrophobicContact CB-CB 3.95Å; L242-L245 HydrophobicContact CB-CD2 4.27Å; L242-L245 HydrophobicContact CD1-CD1 4.27Å; L242-L245 HydrophobicContact CD1-CD2 3.92Å; L242-L245 WeakPolarHBondContact O-CB 3.19Å; L242-L245 PolarHBondContact O-N 3.03Å; L245-L248 HydrophobicContact CD2-CB 3.84Å; L245-L248 HydrophobicContact CD2-CD1 4.2Å; L245-L248 HydrophobicContact CD2-CD2 4.29Å; L245-L248 HydrophobicContact CD2-CG 4.32Å; L245-L265 HydrophobicContact CD2-CD1 3.93Å; L245-K267 CarbonylContact O-C 3.58Å; L245-L268 HydrophobicContact CD2-CD1 4.22Å; L245-L268 HydrophobicContact CG-CD1 4.37Å; L245-L268 WeakPolarHBondContact O-CA 3.43Å; L245-L268 PolarHBondContact O-N 3.1Å; L245-L268 VanDerWaalsContact O-N 3.11Å
246	T	98.2	Very high	98.1	Very high	41 Å²	41	31.2 Å²	31.2	25%	0.252	17%	0.168	S	C	.	.			trans	-109	-34.1	176.4	56.3	0	0	0	0	111.2	L223 S244 K267 S269 I270	L223-T246 PolarHBondContact O-N 3.03Å; L223-T246 PolarHBondContact O-OG1 2.83Å; L223-T246 VanDerWaalsContact O-OG1 3.07Å; S244-T246 PolarHBondContact O-N 2.96Å; T246-K267 HydrophobicContact CG2-CB 4.47Å; T246-S269 PolarHBondContact O-N 3Å; T246-I270 PolarHBondContact O-N 3.38Å
247	D	97.7	Very high	98	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.059	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.5	-172.5	-64.2	-112.5	0	0	0	109.4	L223 C224 L225 I270 L475	L223-D247 PolarHBondContact O-N 3.02Å; C224-D247 HydrophobicContact CB-CB 4.34Å; L225-D247 PolarHBondContact N-O 2.84Å; D247-I270 WeakPolarHBondContact OD1-CD1 3.25Å; D247-L475 HydrophobicContact CB-CD2 4.37Å
248	L	98.5	Very high	98.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110.5	173.2	-177.7	55.8	0	0	0	109.6	L225 L245 I250 I262 L268 I270 L271 K272	L225-L248 HydrophobicContact CB-CD1 4.04Å; L225-L248 HydrophobicContact CD2-CD1 3.92Å; L225-L248 HydrophobicContact CG-CD1 4.09Å; L245-L248 HydrophobicContact CD2-CB 3.84Å; L245-L248 HydrophobicContact CD2-CD1 4.2Å; L245-L248 HydrophobicContact CD2-CD2 4.29Å; L245-L248 HydrophobicContact CD2-CG 4.32Å; L248-I250 HydrophobicContact CD1-CG2 3.57Å; L248-I250 HydrophobicContact CG-CG2 3.9Å; L248-I262 HydrophobicContact CD2-CD1 3.85Å; L248-L268 HydrophobicContact CB-CD1 3.74Å; L248-I270 PolarHBondContact N-O 2.92Å; L248-L271 HydrophobicContact CB-CD1 4.11Å; L248-L271 HydrophobicContact CD2-CD1 3.97Å; L248-L271 HydrophobicContact CG-CD1 4.06Å; L248-L271 WeakPolarHBondContact O-CA 3.49Å; L248-K272 PolarHBondContact O-N 2.94Å
249	V	98.3	Very high	98	Very high	11 Å²	11	25.6 Å²	25.6	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.5	178.5	-174.4	0	0	0	0	108.4	L225 D226 V227 K272 L475	L225-V249 PolarHBondContact O-N 3.01Å; D226-V249 HydrophobicContact CB-CB 4.32Å; V227-V249 PolarHBondContact N-O 2.75Å; V249-K272 HydrophobicContact CG1-CB 4.19Å; V249-K272 HydrophobicContact CG1-CD 4.46Å; V249-K272 HydrophobicContact CG2-CB 4.48Å; V249-K272 HydrophobicContact CG2-CD 4.31Å; V249-L475 HydrophobicContact CG2-CD1 4.31Å
250	I	98	Very high	98	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.173	C	C	.	.			trans	-130.1	23.9	-178.4	66.3	-176.9	0	0	0	111.9	V227 L235 L248 N253 L255 I258 K272 V273 N276	V227-I250 HydrophobicContact CG2-CB 4.04Å; V227-I250 HydrophobicContact CG2-CG2 3.34Å; L235-I250 HydrophobicContact CD1-CD1 3.62Å; L235-I250 HydrophobicContact CG-CD1 4.4Å; L248-I250 HydrophobicContact CD1-CG2 3.57Å; L248-I250 HydrophobicContact CG-CG2 3.9Å; I250-N253 PolarHBondContact O-ND2 3.23Å; I250-N253 VanDerWaalsContact O-ND2 3.16Å; I250-L255 HydrophobicContact CB-CD1 4.29Å; I250-L255 HydrophobicContact CD1-CD1 3.45Å; I250-L255 VanDerWaalsContact CD1-CD1 3.45Å; I250-L255 HydrophobicContact CG1-CD1 3.93Å; I250-I258 HydrophobicContact CD1-CD1 3.75Å; I250-K272 WeakPolarHBondContact CG1-O 3.27Å; I250-K272 PolarHBondContact N-O 3.04Å; I250-V273 HydrophobicContact CD1-CG1 3.36Å; I250-V273 HydrophobicContact CG1-CB 4.38Å; I250-V273 HydrophobicContact CG1-CG1 3.33Å; I250-N276 PolarHBondContact O-ND2 2.96Å
251	S	97.3	Very high	97.9	Very high	7 Å²	7	30.2 Å²	30.2	5%	0.049	17%	0.17	C	C	.	.			trans	-59.7	156.8	-180	-51	0	0	0	0	112.2	S228 E229 N253 D274	S228-S251 CarbonylContact C-O 3.5Å; S228-S251 WeakPolarHBondContact CA-O 3.21Å; S228-S251 VanDerWaalsContact CB-O 3.23Å; S228-S251 WeakPolarHBondContact CB-O 3.47Å; E229-S251 PolarHBondContact N-O 2.77Å; S251-N253 PolarHBondContact O-ND2 2.97Å; S251-D274 CarbonylContact C-O 3.12Å; S251-D274 WeakPolarHBondContact CA-O 3.3Å; S251-D274 WeakPolarHBondContact CB-OD1 3.48Å; S251-D274 WeakPolarHBondContact CB-OD2 3.27Å; S251-D274 VanDerWaalsContact OG-CG 3.28Å; S251-D274 PolarHBondContact OG-OD1 3.03Å
252	Q	97.6	Very high	97.9	Very high	79 Å²	79	29.3 Å²	29.3	37%	0.369	16%	0.16	S	C	.	.	S	Bend	trans	56.1	56.7	175.6	-63.3	-176	69.9	0	0	113.1	E229 N230 D274 Q275	E229-Q252 VanDerWaalsContact CA-O 3.29Å; E229-Q252 WeakPolarHBondContact CA-O 3.44Å; E229-Q252 HydrophobicContact CB-CB 4.47Å; E229-Q252 HydrophobicContact CG-CB 3.82Å; E229-Q252 HydrophobicContact CG-CG 4.28Å; E229-Q252 PolarHBondContact N-O 3.24Å; N230-Q252 PolarHBondContact N-O 3.01Å; Q252-D274 PolarHBondContact N-O 3.06Å; Q252-Q275 VanDerWaalsContact CA-O 3.24Å; Q252-Q275 WeakPolarHBondContact CA-O 3.35Å; Q252-Q275 HydrophobicContact CB-CB 4.48Å; Q252-Q275 HydrophobicContact CG-CB 3.76Å; Q252-Q275 HydrophobicContact CG-CG 4.27Å; Q252-Q275 VanDerWaalsContact CG-OE1 3.24Å; Q252-Q275 PolarHBondContact N-O 3.16Å
253	N	98.6	Very high	97.9	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	16%	0.164	C	C	.	.	S	Bend	trans	-132.2	-168.3	176.2	-87.6	-77.4	0	0	0	109.8	V227 N230 R231 L232 I250 S251 L255 Q275 N276	V227-N253 PolarHBondContact O-ND2 2.89Å; N230-N253 WeakPolarHBondContact CA-OD1 3.48Å; N230-N253 WeakPolarHBondContact CB-OD1 3.47Å; N230-N253 PolarHBondContact O-OD1 3.15Å; R231-N253 PolarHBondContact N-OD1 2.99Å; L232-N253 HydrophobicContact CB-CB 4.26Å; L232-N253 VanDerWaalsContact CB-OD1 3.29Å; L232-N253 WeakPolarHBondContact CB-OD1 3.44Å; L232-N253 WeakPolarHBondContact CG-OD1 3.47Å; L232-N253 PolarHBondContact N-OD1 2.93Å; I250-N253 PolarHBondContact O-ND2 3.23Å; I250-N253 VanDerWaalsContact O-ND2 3.16Å; S251-N253 PolarHBondContact O-ND2 2.97Å; N253-L255 HydrophobicContact CB-CG 4.22Å; N253-Q275 PolarHBondContact N-O 2.9Å; N253-N276 WeakPolarHBondContact CA-OD1 3.44Å; N253-N276 WeakPolarHBondContact CB-OD1 3.35Å; N253-N276 PolarHBondContact N-OD1 3.38Å; N253-N276 PolarHBondContact O-OD1 2.71Å
254	L	98.4	Very high	97.9	Very high	52 Å²	52	32 Å²	32	27%	0.272	17%	0.168	S	C	.	.			trans	-111.5	20.6	-177.5	-54.9	178.2	0	0	0	112.4	R231 L232 E233 E256 N276	R231-L254 HydrophobicContact CB-CD1 4.36Å; L232-L254 CarbonylContact O-C 3.56Å; L232-L254 VanDerWaalsContact O-C 3.23Å; L232-L254 VanDerWaalsContact O-CA 3.3Å; L232-L254 WeakPolarHBondContact O-CA 3.46Å; L232-L254 WeakPolarHBondContact O-CB 3.33Å; L232-L254 PolarHBondContact O-N 3.27Å; E233-L254 HydrophobicContact CG-CB 4.35Å; L254-E256 PolarHBondContact O-N 3.07Å; L254-N276 PolarHBondContact N-OD1 3.38Å
255	L	98.5	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.			trans	-65.4	127.8	-172.1	-59.7	172.9	0	0	0	111.5	L232 L235 I250 N253 I258 N276 R277 L278	L232-L255 HydrophobicContact CB-CD2 4.1Å; L232-L255 PolarHBondContact O-N 2.93Å; L235-L255 HydrophobicContact CG-CD1 4.41Å; L235-L255 HydrophobicContact CG-CD2 4.28Å; I250-L255 HydrophobicContact CB-CD1 4.29Å; I250-L255 HydrophobicContact CD1-CD1 3.45Å; I250-L255 VanDerWaalsContact CD1-CD1 3.45Å; I250-L255 HydrophobicContact CG1-CD1 3.93Å; N253-L255 HydrophobicContact CB-CG 4.22Å; L255-I258 HydrophobicContact CD1-CD1 4.03Å; L255-N276 HydrophobicContact CB-CB 4.37Å; L255-N276 VanDerWaalsContact CB-OD1 3.28Å; L255-N276 WeakPolarHBondContact CB-OD1 3.24Å; L255-N276 WeakPolarHBondContact CG-OD1 3.45Å; L255-N276 PolarHBondContact N-OD1 3.26Å; L255-R277 CarbonylContact O-C 3.23Å; L255-R277 VanDerWaalsContact O-CA 3.24Å; L255-R277 WeakPolarHBondContact O-CA 3.36Å; L255-R277 WeakPolarHBondContact O-CB 3.24Å; L255-R277 PolarHBondContact O-N 2.89Å; L255-L278 HydrophobicContact CB-CD2 4.02Å; L255-L278 PolarHBondContact O-N 2.92Å; L255-L278 VanDerWaalsContact O-N 3.1Å
256	E	97.4	Very high	97.9	Very high	118 Å²	118	35.2 Å²	35.2	55%	0.551	18%	0.179	S	C	*	.	S	Bend	trans	-94	-25.3	173.4	-64.2	-170.4	175.7	0	0	113.1	L254 R277 L278 T279	L254-E256 PolarHBondContact O-N 3.07Å; E256-R277 HydrophobicContact CG-CB 4.32Å; E256-L278 WeakPolarHBondContact O-CA 3.47Å; E256-T279 PolarHBondContact O-N 3.45Å
257	T	97	Very high	97.9	Very high	64 Å²	64	38.5 Å²	38.5	39%	0.393	19%	0.19	S	C	.	.			trans	-145.7	159.5	179.8	61.3	0	0	0	0	111.1
258	I	98	Very high	97.9	Very high	9 Å²	9	38 Å²	38	5%	0.046	19%	0.187	C	C	.	.			trans	-108.5	134.7	167.1	-59.9	-59.2	0	0	0	107.6	L235 I250 L255 I262 V273 L278 L281 P282	L235-I258 HydrophobicContact CD1-CD1 4.33Å; I250-I258 HydrophobicContact CD1-CD1 3.75Å; L255-I258 HydrophobicContact CD1-CD1 4.03Å; I258-I262 HydrophobicContact CG2-CB 3.9Å; I258-I262 HydrophobicContact CG2-CD1 4.45Å; I258-I262 HydrophobicContact CG2-CG1 4.17Å; I258-I262 HydrophobicContact CG2-CG2 3.97Å; I258-V273 HydrophobicContact CD1-CG1 3.75Å; I258-V273 HydrophobicContact CG1-CG1 4.35Å; I258-L278 HydrophobicContact CD1-CD1 4.43Å; I258-L278 HydrophobicContact CD1-CD2 4.1Å; I258-L278 HydrophobicContact CG1-CD1 4.11Å; I258-L278 HydrophobicContact CG1-CD2 3.95Å; I258-L281 HydrophobicContact CG1-CD1 4.47Å; I258-P282 HydrophobicContact CB-CG 4.24Å; I258-P282 HydrophobicContact CG2-CG 4.38Å; I258-P282 WeakPolarHBondContact O-CG 3.36Å
259	P	97.5	Very high	97.9	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.058	20%	0.199	C	C	.	.			trans	-63.7	148.3	-179.7	25.2	-34.7	0	0	0	112.1	L235 E237 I239 G261 I262	L235-P259 HydrophobicContact CB-CG 4.01Å; E237-P259 VanDerWaalsContact CD-CB 3.43Å; E237-P259 HydrophobicContact CG-CB 4.4Å; E237-P259 WeakPolarHBondContact OE1-CB 3.37Å; I239-P259 HydrophobicContact CG2-CG 3.86Å; P259-G261 PolarHBondContact O-N 2.93Å; P259-G261 VanDerWaalsContact O-N 3.14Å; P259-I262 WeakPolarHBondContact O-CB 3.23Å; P259-I262 WeakPolarHBondContact O-CG2 3.38Å; P259-I262 PolarHBondContact O-N 2.91Å; P259-I262 VanDerWaalsContact O-N 3.11Å
260	D	97.2	Very high	97.9	Very high	109 Å²	109	40.3 Å²	40.3	58%	0.583	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-61.3	-24.1	176.7	-80.1	-22.2	0	0	0	111.6	I262 G263 P282 A284	D260-I262 PolarHBondContact O-N 2.96Å; D260-G263 PolarHBondContact O-N 3.25Å; D260-P282 WeakPolarHBondContact OD1-CB 3.34Å; D260-A284 HydrophobicContact CB-CB 4.28Å; D260-A284 WeakPolarHBondContact O-CB 3.39Å
261	G	96.8	Very high	97.9	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.031	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-51.8	-23.4	172.2	0	0	0	0	0	115.2	E237 S240 P259 G263 K264	E237-G261 PolarHBondContact OE2-N 2.92Å; S240-G261 WeakPolarHBondContact CB-O 3.4Å; P259-G261 PolarHBondContact O-N 2.93Å; P259-G261 VanDerWaalsContact O-N 3.14Å; G261-G263 PolarHBondContact O-N 3.09Å; G261-K264 WeakPolarHBondContact O-CB 3.45Å; G261-K264 PolarHBondContact O-N 3.46Å
262	I	98.1	Very high	98	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.4	-35.1	178.9	-163.3	72.9	0	0	0	112.6	L248 I258 P259 D260 K264 L265 L268 L271 P282 A284 C288	L248-I262 HydrophobicContact CD2-CD1 3.85Å; I258-I262 HydrophobicContact CG2-CB 3.9Å; I258-I262 HydrophobicContact CG2-CD1 4.45Å; I258-I262 HydrophobicContact CG2-CG1 4.17Å; I258-I262 HydrophobicContact CG2-CG2 3.97Å; P259-I262 WeakPolarHBondContact O-CB 3.23Å; P259-I262 WeakPolarHBondContact O-CG2 3.38Å; P259-I262 PolarHBondContact O-N 2.91Å; P259-I262 VanDerWaalsContact O-N 3.11Å; D260-I262 PolarHBondContact O-N 2.96Å; I262-K264 PolarHBondContact O-N 2.99Å; I262-L265 HydrophobicContact CD1-CD1 3.74Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 2.91Å; I262-L268 HydrophobicContact CD1-CD2 4.09Å; I262-L268 HydrophobicContact CG1-CD2 4.38Å; I262-L271 HydrophobicContact CG1-CD2 4.4Å; I262-P282 HydrophobicContact CG2-CG 4.11Å; I262-A284 HydrophobicContact CG2-CB 4.41Å; I262-C288 PolarHBondContact O-SG 2.92Å; I262-C288 VanDerWaalsContact O-SG 3.34Å
263	G	97.7	Very high	98	Very high	7 Å²	7	38.3 Å²	38.3	7%	0.072	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.3	-11.4	-179.5	0	0	0	0	0	114.7	D260 G261 K266 A284	D260-G263 PolarHBondContact O-N 3.25Å; G261-G263 PolarHBondContact O-N 3.09Å; G263-K266 WeakPolarHBondContact O-CE 3.47Å; G263-A284 WeakPolarHBondContact CA-O 3.42Å
264	K	98.3	Very high	97.9	Very high	126 Å²	126	39.1 Å²	39.1	55%	0.548	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-80.8	-15.7	173.4	-55.7	-168.9	-155.8	145.9	0	112.9	S240 G261 I262 K266	S240-K264 PolarHBondContact OG-NZ 3.07Å; S240-K264 VanDerWaalsContact OG-NZ 3.07Å; G261-K264 WeakPolarHBondContact O-CB 3.45Å; G261-K264 PolarHBondContact O-N 3.46Å; I262-K264 PolarHBondContact O-N 2.99Å; K264-K266 VanDerWaalsContact C-N 3.26Å; K264-K266 PolarHBondContact O-N 2.96Å
265	L	98.4	Very high	97.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.197	C	C	.	.			trans	-79.4	72.3	-178.3	-54.6	-171.7	0	0	0	110.9	L242 L245 I262 K267 L268	L242-L265 HydrophobicContact CB-CD2 4.28Å; L242-L265 WeakPolarHBondContact O-CD2 3.21Å; L245-L265 HydrophobicContact CD2-CD1 3.93Å; I262-L265 HydrophobicContact CD1-CD1 3.74Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 2.91Å; L265-K267 PolarHBondContact O-N 3.27Å; L265-L268 HydrophobicContact CB-CB 3.9Å; L265-L268 HydrophobicContact CB-CD2 4.43Å; L265-L268 HydrophobicContact CD1-CD2 4.39Å; L265-L268 VanDerWaalsContact O-CB 3.24Å; L265-L268 WeakPolarHBondContact O-CB 3.41Å; L265-L268 PolarHBondContact O-N 3.09Å
266	K	97.9	Very high	97.9	Very high	83 Å²	83	40.2 Å²	40.2	36%	0.361	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.3	-173.3	-60.3	-54.1	-173.1	165.3	0	114.8	G263 K264 D287 E289 S290	G263-K266 WeakPolarHBondContact O-CE 3.47Å; K264-K266 VanDerWaalsContact C-N 3.26Å; K264-K266 PolarHBondContact O-N 2.96Å; K266-D287 VanDerWaalsContact CD-O 3.32Å; K266-D287 WeakPolarHBondContact CD-O 3.1Å; K266-D287 PolarHBondContact NZ-O 3.44Å; K266-E289 IonicContact NZ-OE1 2.84Å; K266-E289 PolarHBondContact NZ-OE1 3.28Å; K266-S290 VanDerWaalsContact O-CB 3.23Å; K266-S290 WeakPolarHBondContact O-CB 3.49Å; K266-S290 PolarHBondContact O-OG 2.61Å
267	K	98.4	Very high	97.9	Very high	110 Å²	110	40.2 Å²	40.2	48%	0.478	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-6.1	176.5	-61.1	-167.6	-165.1	166.8	0	113.6	L245 T246 L265 S269	L245-K267 CarbonylContact O-C 3.58Å; T246-K267 HydrophobicContact CG2-CB 4.47Å; L265-K267 PolarHBondContact O-N 3.27Å; K267-S269 PolarHBondContact O-N 2.98Å; K267-S269 VanDerWaalsContact O-N 3.14Å
268	L	98.6	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.			trans	-61.7	118.8	-177.8	-169.9	69.2	0	0	0	109.5	L245 L248 I262 L265 L271 S290 L291	L245-L268 HydrophobicContact CD2-CD1 4.22Å; L245-L268 HydrophobicContact CG-CD1 4.37Å; L245-L268 WeakPolarHBondContact O-CA 3.43Å; L245-L268 PolarHBondContact O-N 3.1Å; L245-L268 VanDerWaalsContact O-N 3.11Å; L248-L268 HydrophobicContact CB-CD1 3.74Å; I262-L268 HydrophobicContact CD1-CD2 4.09Å; I262-L268 HydrophobicContact CG1-CD2 4.38Å; L265-L268 HydrophobicContact CB-CB 3.9Å; L265-L268 HydrophobicContact CB-CD2 4.43Å; L265-L268 HydrophobicContact CD1-CD2 4.39Å; L265-L268 VanDerWaalsContact O-CB 3.24Å; L265-L268 WeakPolarHBondContact O-CB 3.41Å; L265-L268 PolarHBondContact O-N 3.09Å; L268-L271 HydrophobicContact CD2-CB 4.08Å; L268-L271 HydrophobicContact CD2-CD2 4.25Å; L268-S290 CarbonylContact O-C 3.46Å; L268-L291 HydrophobicContact CD2-CD1 4.15Å; L268-L291 HydrophobicContact CG-CD1 3.98Å; L268-L291 VanDerWaalsContact O-CA 3.26Å; L268-L291 WeakPolarHBondContact O-CA 3.2Å; L268-L291 PolarHBondContact O-N 3.03Å
269	S	97.9	Very high	98	Very high	34 Å²	34	39.9 Å²	39.9	24%	0.238	19%	0.193	C	C	.	.			trans	-104.7	-41.2	-179.4	-163.1	0	0	0	0	110.7	T246 K267 L291 T292 E293	T246-S269 PolarHBondContact O-N 3Å; K267-S269 PolarHBondContact O-N 2.98Å; K267-S269 VanDerWaalsContact O-N 3.14Å; S269-L291 WeakPolarHBondContact O-CD1 3.48Å; S269-T292 PolarHBondContact O-N 2.67Å; S269-T292 PolarHBondContact O-OG1 3.18Å; S269-T292 VanDerWaalsContact O-OG1 3.05Å; S269-T292 PolarHBondContact OG-OG1 2.81Å; S269-E293 PolarHBondContact O-N 2.92Å
270	I	98.1	Very high	97.9	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.138	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.9	-177	-64	171.9	0	0	0	108.8	T246 D247 L248 K272 E293	T246-I270 PolarHBondContact O-N 3.38Å; D247-I270 WeakPolarHBondContact OD1-CD1 3.25Å; L248-I270 PolarHBondContact N-O 2.92Å; I270-K272 HydrophobicContact CG2-CD 4.36Å; I270-K272 HydrophobicContact CG2-CG 3.97Å; I270-E293 HydrophobicContact CG1-CB 4.12Å
271	L	98.5	Very high	97.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	111	172.3	177.7	54.8	0	0	0	109.7	L248 I262 L268 V273 V285 L291 E293 L294 V295	L248-L271 HydrophobicContact CB-CD1 4.11Å; L248-L271 HydrophobicContact CD2-CD1 3.97Å; L248-L271 HydrophobicContact CG-CD1 4.06Å; L248-L271 WeakPolarHBondContact O-CA 3.49Å; I262-L271 HydrophobicContact CG1-CD2 4.4Å; L268-L271 HydrophobicContact CD2-CB 4.08Å; L268-L271 HydrophobicContact CD2-CD2 4.25Å; L271-V273 HydrophobicContact CD1-CG2 4.22Å; L271-V273 HydrophobicContact CD2-CG2 4.49Å; L271-V273 HydrophobicContact CG-CG2 3.9Å; L271-V285 HydrophobicContact CD2-CG2 4.47Å; L271-L291 HydrophobicContact CB-CD1 3.76Å; L271-E293 PolarHBondContact N-O 3.09Å; L271-L294 HydrophobicContact CB-CD1 4.01Å; L271-L294 HydrophobicContact CD2-CD1 3.9Å; L271-L294 HydrophobicContact CG-CD1 3.89Å; L271-L294 WeakPolarHBondContact O-CA 3.44Å; L271-V295 PolarHBondContact O-N 3.04Å
272	K	98.4	Very high	98	Very high	43 Å²	43	41.1 Å²	41.1	19%	0.187	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.5	177.2	-61.5	-174.3	179.3	175.9	0	110.4	L248 V249 I250 I270 E293 V295	L248-K272 PolarHBondContact O-N 2.94Å; V249-K272 HydrophobicContact CG1-CB 4.19Å; V249-K272 HydrophobicContact CG1-CD 4.46Å; V249-K272 HydrophobicContact CG2-CB 4.48Å; V249-K272 HydrophobicContact CG2-CD 4.31Å; I250-K272 WeakPolarHBondContact CG1-O 3.27Å; I250-K272 PolarHBondContact N-O 3.04Å; I270-K272 HydrophobicContact CG2-CD 4.36Å; I270-K272 HydrophobicContact CG2-CG 3.97Å; K272-E293 VanDerWaalsContact CE-OE1 3.25Å; K272-E293 WeakPolarHBondContact CE-OE1 3.33Å; K272-E293 IonicContact NZ-OE1 3.87Å; K272-V295 HydrophobicContact CB-CB 4.45Å; K272-V295 HydrophobicContact CG-CB 4.15Å; K272-V295 HydrophobicContact CG-CG2 4.03Å
273	V	97.9	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.			trans	-135	16.7	-171.3	-112.1	0	0	0	0	110.9	I250 I258 L271 N276 L278 L294 V295 L296 N299	I250-V273 HydrophobicContact CD1-CG1 3.36Å; I250-V273 HydrophobicContact CG1-CB 4.38Å; I250-V273 HydrophobicContact CG1-CG1 3.33Å; I258-V273 HydrophobicContact CD1-CG1 3.75Å; I258-V273 HydrophobicContact CG1-CG1 4.35Å; L271-V273 HydrophobicContact CD1-CG2 4.22Å; L271-V273 HydrophobicContact CD2-CG2 4.49Å; L271-V273 HydrophobicContact CG-CG2 3.9Å; V273-N276 PolarHBondContact O-ND2 2.95Å; V273-L278 HydrophobicContact CB-CD1 4.01Å; V273-L278 HydrophobicContact CG1-CD1 3.98Å; V273-L294 HydrophobicContact CG2-CD1 4.22Å; V273-V295 CarbonylContact C-O 3.43Å; V273-V295 WeakPolarHBondContact CG2-O 3.32Å; V273-V295 PolarHBondContact N-O 3.19Å; V273-L296 HydrophobicContact CB-CD2 4.25Å; V273-L296 HydrophobicContact CG2-CD2 3.56Å; V273-L296 HydrophobicContact CG2-CG 4.5Å; V273-N299 PolarHBondContact O-ND2 3.14Å
274	D	96.9	Very high	98	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.134	22%	0.219	C	C	.	.			trans	-64.6	157	-178.4	54.4	-75.4	0	0	0	112.8	S251 Q252 N276 V295 T297	S251-D274 CarbonylContact C-O 3.12Å; S251-D274 WeakPolarHBondContact CA-O 3.3Å; S251-D274 WeakPolarHBondContact CB-OD1 3.48Å; S251-D274 WeakPolarHBondContact CB-OD2 3.27Å; S251-D274 VanDerWaalsContact OG-CG 3.28Å; S251-D274 PolarHBondContact OG-OD1 3.03Å; Q252-D274 PolarHBondContact N-O 3.06Å; D274-N276 PolarHBondContact O-N 2.84Å; D274-N276 PolarHBondContact O-ND2 2.97Å; D274-N276 VanDerWaalsContact O-ND2 3.12Å; D274-V295 HydrophobicContact CB-CG1 4.01Å; D274-V295 PolarHBondContact N-O 3.25Å; D274-T297 CarbonylContact C-O 3.59Å; D274-T297 WeakPolarHBondContact CA-O 3.38Å; D274-T297 VanDerWaalsContact CB-O 3.27Å; D274-T297 WeakPolarHBondContact CB-O 3.27Å
275	Q	97.8	Very high	98	Very high	63 Å²	63	40.1 Å²	40.1	29%	0.294	19%	0.193	S	C	.	.	S	Bend	trans	54	53.4	179.6	-56.9	-171.3	19.2	0	0	112.5	Q252 N253 T297 E298	Q252-Q275 VanDerWaalsContact CA-O 3.24Å; Q252-Q275 WeakPolarHBondContact CA-O 3.35Å; Q252-Q275 HydrophobicContact CB-CB 4.48Å; Q252-Q275 HydrophobicContact CG-CB 3.76Å; Q252-Q275 HydrophobicContact CG-CG 4.27Å; Q252-Q275 VanDerWaalsContact CG-OE1 3.24Å; Q252-Q275 PolarHBondContact N-O 3.16Å; N253-Q275 PolarHBondContact N-O 2.9Å; Q275-T297 PolarHBondContact N-O 3.29Å; Q275-E298 VanDerWaalsContact CA-O 3.31Å; Q275-E298 WeakPolarHBondContact CA-O 3.41Å; Q275-E298 HydrophobicContact CG-CB 3.97Å; Q275-E298 PolarHBondContact N-O 2.74Å
276	N	98.6	Very high	98	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.059	19%	0.194	C	C	.	.	S	Bend	trans	-125.2	-168.5	175.1	-88.7	-83.5	0	0	0	109.6	I250 N253 L254 L255 V273 D274 L278 E298 N299	I250-N276 PolarHBondContact O-ND2 2.96Å; N253-N276 WeakPolarHBondContact CA-OD1 3.44Å; N253-N276 WeakPolarHBondContact CB-OD1 3.35Å; N253-N276 PolarHBondContact N-OD1 3.38Å; N253-N276 PolarHBondContact O-OD1 2.71Å; L254-N276 PolarHBondContact N-OD1 3.38Å; L255-N276 HydrophobicContact CB-CB 4.37Å; L255-N276 VanDerWaalsContact CB-OD1 3.28Å; L255-N276 WeakPolarHBondContact CB-OD1 3.24Å; L255-N276 WeakPolarHBondContact CG-OD1 3.45Å; L255-N276 PolarHBondContact N-OD1 3.26Å; V273-N276 PolarHBondContact O-ND2 2.95Å; D274-N276 PolarHBondContact O-N 2.84Å; D274-N276 PolarHBondContact O-ND2 2.97Å; D274-N276 VanDerWaalsContact O-ND2 3.12Å; N276-L278 HydrophobicContact CB-CG 4.23Å; N276-E298 PolarHBondContact N-O 2.89Å; N276-N299 WeakPolarHBondContact CA-OD1 3.31Å; N276-N299 WeakPolarHBondContact CB-OD1 3.47Å; N276-N299 PolarHBondContact O-OD1 3.39Å
277	R	98.3	Very high	98	Very high	118 Å²	118	38.9 Å²	38.9	45%	0.445	19%	0.191	S	C	.	.			trans	-112.8	23.9	179.9	-59.5	179.2	179	-175.9	0.9	112.1	L255 E256 T279 N299	L255-R277 CarbonylContact O-C 3.23Å; L255-R277 VanDerWaalsContact O-CA 3.24Å; L255-R277 WeakPolarHBondContact O-CA 3.36Å; L255-R277 WeakPolarHBondContact O-CB 3.24Å; L255-R277 PolarHBondContact O-N 2.89Å; E256-R277 HydrophobicContact CG-CB 4.32Å; R277-T279 PolarHBondContact O-N 2.93Å; R277-N299 PolarHBondContact N-OD1 3.35Å
278	L	98.6	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.			trans	-61.2	122.8	-172.8	-61.8	176.7	0	0	0	110.6	L255 E256 I258 V273 N276 L296 N299 Q300 L301	L255-L278 HydrophobicContact CB-CD2 4.02Å; L255-L278 PolarHBondContact O-N 2.92Å; L255-L278 VanDerWaalsContact O-N 3.1Å; E256-L278 WeakPolarHBondContact O-CA 3.47Å; I258-L278 HydrophobicContact CD1-CD1 4.43Å; I258-L278 HydrophobicContact CD1-CD2 4.1Å; I258-L278 HydrophobicContact CG1-CD1 4.11Å; I258-L278 HydrophobicContact CG1-CD2 3.95Å; V273-L278 HydrophobicContact CB-CD1 4.01Å; V273-L278 HydrophobicContact CG1-CD1 3.98Å; N276-L278 HydrophobicContact CB-CG 4.23Å; L278-L296 HydrophobicContact CD1-CD2 4.43Å; L278-N299 HydrophobicContact CB-CB 4.18Å; L278-N299 VanDerWaalsContact CB-OD1 3.22Å; L278-N299 WeakPolarHBondContact CB-OD1 3.17Å; L278-N299 VanDerWaalsContact CG-OD1 3.28Å; L278-N299 WeakPolarHBondContact CG-OD1 3.24Å; L278-N299 PolarHBondContact N-OD1 2.98Å; L278-Q300 CarbonylContact O-C 3.08Å; L278-Q300 WeakPolarHBondContact O-CA 3.23Å; L278-Q300 WeakPolarHBondContact O-CB 3.37Å; L278-Q300 PolarHBondContact O-N 3.07Å; L278-L301 HydrophobicContact CB-CD2 4.02Å; L278-L301 PolarHBondContact O-N 3.13Å; L278-L301 VanDerWaalsContact O-N 3.11Å
279	T	97.2	Very high	97.8	Very high	66 Å²	66	39.2 Å²	39.2	41%	0.405	19%	0.194	S	C	.	.	S	Bend	trans	-92.8	-26.1	176.3	57	0	0	0	0	112.2	E256 R277 Q300	E256-T279 PolarHBondContact O-N 3.45Å; R277-T279 PolarHBondContact O-N 2.93Å; T279-Q300 HydrophobicContact CG2-CB 4.47Å
280	Q	96.7	Very high	97.8	Very high	120 Å²	120	39 Å²	39	56%	0.561	19%	0.193	S	C	*	.			trans	-148.9	157.4	177.7	61.8	-176.1	-6.4	0	0	110.3
281	L	97.6	Very high	97.8	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.052	19%	0.186	C	C	.	.			trans	-111.7	133.3	169.7	-171.7	72	0	0	0	107.6	I258 V285 L294 L296 L301 P305	I258-L281 HydrophobicContact CG1-CD1 4.47Å; L281-V285 HydrophobicContact CD1-CG2 4.38Å; L281-V285 HydrophobicContact CD2-CB 4.15Å; L281-V285 HydrophobicContact CD2-CG1 3.68Å; L281-V285 HydrophobicContact CD2-CG2 4.05Å; L281-V285 HydrophobicContact CG-CB 4.06Å; L281-V285 HydrophobicContact CG-CG1 3.9Å; L281-V285 HydrophobicContact CG-CG2 4.27Å; L281-L294 HydrophobicContact CD2-CD2 4.3Å; L281-L296 HydrophobicContact CD1-CD2 4.15Å; L281-L296 HydrophobicContact CD2-CD1 4.09Å; L281-L296 HydrophobicContact CD2-CD2 4.46Å; L281-L301 HydrophobicContact CB-CD2 4.41Å; L281-P305 HydrophobicContact CB-CG 4.22Å; L281-P305 HydrophobicContact CD2-CG 4.13Å; L281-P305 HydrophobicContact CG-CG 4.34Å
282	P	97.5	Very high	97.8	Very high	17 Å²	17	39.7 Å²	39.7	11%	0.11	20%	0.198	C	C	.	.			trans	-65.8	150.4	-175.9	27.8	-35.9	0	0	0	111.6	I258 D260 I262 A284 V285	I258-P282 HydrophobicContact CB-CG 4.24Å; I258-P282 HydrophobicContact CG2-CG 4.38Å; I258-P282 WeakPolarHBondContact O-CG 3.36Å; D260-P282 WeakPolarHBondContact OD1-CB 3.34Å; I262-P282 HydrophobicContact CG2-CG 4.11Å; P282-A284 HydrophobicContact CB-CB 4.39Å; P282-A284 PolarHBondContact O-N 2.69Å; P282-A284 VanDerWaalsContact O-N 3.15Å; P282-V285 WeakPolarHBondContact O-CB 3.4Å; P282-V285 VanDerWaalsContact O-CG1 3.24Å; P282-V285 WeakPolarHBondContact O-CG1 3.25Å; P282-V285 PolarHBondContact O-N 3.24Å; P282-V285 VanDerWaalsContact O-N 3.08Å
283	E	98.3	Very high	97.8	Very high	99 Å²	99	39 Å²	39	46%	0.463	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60.6	-24.4	173	-73.3	-73.2	157.9	0	0	111.6	V285 G286 P305 K306 S307	E283-V285 PolarHBondContact O-N 2.65Å; E283-G286 PolarHBondContact O-N 3.45Å; E283-P305 HydrophobicContact CG-CB 4.26Å; E283-P305 WeakPolarHBondContact OE1-CA 3.09Å; E283-P305 WeakPolarHBondContact OE1-CB 3.32Å; E283-K306 PolarHBondContact OE1-N 2.83Å; E283-K306 PolarHBondContact OE2-N 2.98Å; E283-S307 WeakPolarHBondContact CA-OG 3.46Å; E283-S307 WeakPolarHBondContact O-CB 3.34Å; E283-S307 PolarHBondContact O-OG 3.05Å; E283-S307 WeakPolarHBondContact OE2-CB 3.42Å; E283-S307 PolarHBondContact OE2-N 3.06Å; E283-S307 PolarHBondContact OE2-OG 2.79Å
284	A	98.4	Very high	97.9	Very high	14 Å²	14	39 Å²	39	12%	0.116	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61	-21.1	175.3	0	0	0	0	0	114	D260 I262 G263 P282 G286 D287	D260-A284 HydrophobicContact CB-CB 4.28Å; D260-A284 WeakPolarHBondContact O-CB 3.39Å; I262-A284 HydrophobicContact CG2-CB 4.41Å; G263-A284 WeakPolarHBondContact CA-O 3.42Å; P282-A284 HydrophobicContact CB-CB 4.39Å; P282-A284 PolarHBondContact O-N 2.69Å; P282-A284 VanDerWaalsContact O-N 3.15Å; A284-G286 PolarHBondContact O-N 2.85Å; A284-D287 WeakPolarHBondContact O-CB 3.07Å; A284-D287 PolarHBondContact O-N 3.01Å
285	V	98.3	Very high	97.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35.3	177.9	75.6	0	0	0	0	112.1	L271 L281 P282 E283 D287 C288 P305	L271-V285 HydrophobicContact CD2-CG2 4.47Å; L281-V285 HydrophobicContact CD1-CG2 4.38Å; L281-V285 HydrophobicContact CD2-CB 4.15Å; L281-V285 HydrophobicContact CD2-CG1 3.68Å; L281-V285 HydrophobicContact CD2-CG2 4.05Å; L281-V285 HydrophobicContact CG-CB 4.06Å; L281-V285 HydrophobicContact CG-CG1 3.9Å; L281-V285 HydrophobicContact CG-CG2 4.27Å; P282-V285 WeakPolarHBondContact O-CB 3.4Å; P282-V285 VanDerWaalsContact O-CG1 3.24Å; P282-V285 WeakPolarHBondContact O-CG1 3.25Å; P282-V285 PolarHBondContact O-N 3.24Å; P282-V285 VanDerWaalsContact O-N 3.08Å; E283-V285 PolarHBondContact O-N 2.65Å; V285-D287 PolarHBondContact O-N 3.39Å; V285-D287 VanDerWaalsContact O-N 3.12Å; V285-C288 WeakPolarHBondContact O-CB 3.35Å; V285-C288 PolarHBondContact O-N 3.29Å; V285-C288 PolarHBondContact O-SG 2.9Å; V285-C288 VanDerWaalsContact O-SG 3.4Å; V285-P305 HydrophobicContact CG1-CG 3.74Å
286	G	97.9	Very high	97.9	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-68.1	-9.5	179	0	0	0	0	0	114.1	E283 A284 S307 K310	E283-G286 PolarHBondContact O-N 3.45Å; A284-G286 PolarHBondContact O-N 2.85Å; G286-S307 VanDerWaalsContact CA-O 3.31Å; G286-S307 WeakPolarHBondContact CA-O 3.36Å; G286-S307 PolarHBondContact N-OG 3.34Å; G286-K310 VanDerWaalsContact O-CB 3.23Å; G286-K310 WeakPolarHBondContact O-CB 3.16Å
287	D	98.4	Very high	97.9	Very high	56 Å²	56	35.9 Å²	35.9	30%	0.299	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-89.9	-1.2	174.9	-59.9	-25.8	0	0	0	112.1	K266 A284 V285 E289 K310	K266-D287 VanDerWaalsContact CD-O 3.32Å; K266-D287 WeakPolarHBondContact CD-O 3.1Å; K266-D287 PolarHBondContact NZ-O 3.44Å; A284-D287 WeakPolarHBondContact O-CB 3.07Å; A284-D287 PolarHBondContact O-N 3.01Å; V285-D287 PolarHBondContact O-N 3.39Å; V285-D287 VanDerWaalsContact O-N 3.12Å; D287-E289 PolarHBondContact O-N 3.39Å; D287-K310 IonicContact OD1-NZ 2.81Å; D287-K310 PolarHBondContact OD1-NZ 3.03Å
288	C	98.1	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.			trans	-76.3	71.5	169.4	-57.2	0	0	0	0	110.4	I262 V285 S290 L291 L311	I262-C288 PolarHBondContact O-SG 2.92Å; I262-C288 VanDerWaalsContact O-SG 3.34Å; V285-C288 WeakPolarHBondContact O-CB 3.35Å; V285-C288 PolarHBondContact O-N 3.29Å; V285-C288 PolarHBondContact O-SG 2.9Å; V285-C288 VanDerWaalsContact O-SG 3.4Å; C288-S290 PolarHBondContact O-N 2.63Å; C288-L291 HydrophobicContact CB-CB 4.14Å; C288-L291 VanDerWaalsContact O-CB 3.28Å; C288-L291 WeakPolarHBondContact O-CB 3.36Å; C288-L291 PolarHBondContact O-N 3.2Å; C288-L311 HydrophobicContact CB-CD2 4.4Å; C288-L311 WeakPolarHBondContact O-CD2 3.24Å
289	E	94.8	Very high	97.8	Very high	117 Å²	117	33.6 Å²	33.6	55%	0.547	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	-168.9	-69.5	162.8	-140.2	0	0	115.2	K266 D287	K266-E289 IonicContact NZ-OE1 2.84Å; K266-E289 PolarHBondContact NZ-OE1 3.28Å; D287-E289 PolarHBondContact O-N 3.39Å
290	S	98.1	Very high	97.9	Very high	30 Å²	30	34 Å²	34	21%	0.21	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.1	178.6	-60.5	0	0	0	0	114.4	K266 L268 C288 T292	K266-S290 VanDerWaalsContact O-CB 3.23Å; K266-S290 WeakPolarHBondContact O-CB 3.49Å; K266-S290 PolarHBondContact O-OG 2.61Å; L268-S290 CarbonylContact O-C 3.46Å; C288-S290 PolarHBondContact O-N 2.63Å; S290-T292 PolarHBondContact O-N 3.16Å
291	L	98.6	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.			trans	-65.5	123.4	-170.7	-158.9	72.7	0	0	0	111.4	L268 S269 L271 C288 L294 L311 K313 L314	L268-L291 HydrophobicContact CD2-CD1 4.15Å; L268-L291 HydrophobicContact CG-CD1 3.98Å; L268-L291 VanDerWaalsContact O-CA 3.26Å; L268-L291 WeakPolarHBondContact O-CA 3.2Å; L268-L291 PolarHBondContact O-N 3.03Å; S269-L291 WeakPolarHBondContact O-CD1 3.48Å; L271-L291 HydrophobicContact CB-CD1 3.76Å; C288-L291 HydrophobicContact CB-CB 4.14Å; C288-L291 VanDerWaalsContact O-CB 3.28Å; C288-L291 WeakPolarHBondContact O-CB 3.36Å; C288-L291 PolarHBondContact O-N 3.2Å; L291-L294 HydrophobicContact CD2-CB 3.94Å; L291-L294 HydrophobicContact CD2-CD1 4.37Å; L291-L294 HydrophobicContact CD2-CD2 4.17Å; L291-L294 HydrophobicContact CD2-CG 4.39Å; L291-L311 HydrophobicContact CB-CD2 4.21Å; L291-L311 HydrophobicContact CD2-CD1 3.91Å; L291-K313 CarbonylContact O-C 3.45Å; L291-L314 HydrophobicContact CD2-CD1 4.37Å; L291-L314 HydrophobicContact CG-CD1 4.36Å; L291-L314 WeakPolarHBondContact O-CA 3.42Å; L291-L314 PolarHBondContact O-N 3Å
292	T	98.2	Very high	97.9	Very high	41 Å²	41	32.3 Å²	32.3	25%	0.252	17%	0.168	S	C	.	.			trans	-110.7	-30.5	179.7	58.8	0	0	0	0	112.5	S269 S290 K313 S315 N316	S269-T292 PolarHBondContact O-N 2.67Å; S269-T292 PolarHBondContact O-OG1 3.18Å; S269-T292 VanDerWaalsContact O-OG1 3.05Å; S269-T292 PolarHBondContact OG-OG1 2.81Å; S290-T292 PolarHBondContact O-N 3.16Å; T292-K313 HydrophobicContact CG2-CB 4.43Å; T292-S315 PolarHBondContact O-N 2.8Å; T292-S315 PolarHBondContact O-OG 2.96Å; T292-N316 PolarHBondContact O-N 2.97Å
293	E	98.3	Very high	97.9	Very high	30 Å²	30	35 Å²	35	14%	0.14	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.6	-180	-173.8	176.9	164.4	0	0	110.3	S269 I270 L271 K272 V295 N316	S269-E293 PolarHBondContact O-N 2.92Å; I270-E293 HydrophobicContact CG1-CB 4.12Å; L271-E293 PolarHBondContact N-O 3.09Å; K272-E293 VanDerWaalsContact CE-OE1 3.25Å; K272-E293 WeakPolarHBondContact CE-OE1 3.33Å; K272-E293 IonicContact NZ-OE1 3.87Å; E293-V295 HydrophobicContact CG-CG2 3.97Å; E293-N316 WeakPolarHBondContact CA-O 3.41Å; E293-N316 HydrophobicContact CG-CB 4.27Å
294	L	98.6	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	114.7	174.5	179	55.8	0	0	0	109.9	L271 V273 L281 L291 L296 I308 L314 N316 L317 N318	L271-L294 HydrophobicContact CB-CD1 4.01Å; L271-L294 HydrophobicContact CD2-CD1 3.9Å; L271-L294 HydrophobicContact CG-CD1 3.89Å; L271-L294 WeakPolarHBondContact O-CA 3.44Å; V273-L294 HydrophobicContact CG2-CD1 4.22Å; L281-L294 HydrophobicContact CD2-CD2 4.3Å; L291-L294 HydrophobicContact CD2-CB 3.94Å; L291-L294 HydrophobicContact CD2-CD1 4.37Å; L291-L294 HydrophobicContact CD2-CD2 4.17Å; L291-L294 HydrophobicContact CD2-CG 4.39Å; L294-L296 HydrophobicContact CD1-CD1 4.4Å; L294-L296 HydrophobicContact CD1-CD2 4.11Å; L294-L296 HydrophobicContact CD1-CG 4.06Å; L294-L296 HydrophobicContact CD2-CD1 4Å; L294-L296 HydrophobicContact CG-CD1 3.97Å; L294-L296 HydrophobicContact CG-CG 4.01Å; L294-I308 HydrophobicContact CD2-CD1 3.82Å; L294-L314 HydrophobicContact CB-CD1 3.86Å; L294-N316 PolarHBondContact N-O 2.99Å; L294-L317 HydrophobicContact CB-CD1 3.9Å; L294-L317 HydrophobicContact CD2-CD1 3.82Å; L294-L317 HydrophobicContact CG-CD1 3.83Å; L294-L317 WeakPolarHBondContact O-CA 3.36Å; L294-N318 PolarHBondContact O-N 2.77Å
295	V	98.1	Very high	97.9	Very high	16 Å²	16	30.2 Å²	30.2	10%	0.097	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.5	-178.3	-170.6	0	0	0	0	109.8	L271 K272 V273 D274 E293 N318	L271-V295 PolarHBondContact O-N 3.04Å; K272-V295 HydrophobicContact CB-CB 4.45Å; K272-V295 HydrophobicContact CG-CB 4.15Å; K272-V295 HydrophobicContact CG-CG2 4.03Å; V273-V295 CarbonylContact C-O 3.43Å; V273-V295 WeakPolarHBondContact CG2-O 3.32Å; V273-V295 PolarHBondContact N-O 3.19Å; D274-V295 HydrophobicContact CB-CG1 4.01Å; D274-V295 PolarHBondContact N-O 3.25Å; E293-V295 HydrophobicContact CG-CG2 3.97Å; V295-N318 HydrophobicContact CG1-CB 4.32Å
296	L	98.1	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.			trans	-120.4	11.6	-175	-63	163.9	0	0	0	112.1	V273 L278 L281 L294 N299 L301 L304 L317 N318 A319 N322	V273-L296 HydrophobicContact CB-CD2 4.25Å; V273-L296 HydrophobicContact CG2-CD2 3.56Å; V273-L296 HydrophobicContact CG2-CG 4.5Å; L278-L296 HydrophobicContact CD1-CD2 4.43Å; L281-L296 HydrophobicContact CD1-CD2 4.15Å; L281-L296 HydrophobicContact CD2-CD1 4.09Å; L281-L296 HydrophobicContact CD2-CD2 4.46Å; L294-L296 HydrophobicContact CD1-CD1 4.4Å; L294-L296 HydrophobicContact CD1-CD2 4.11Å; L294-L296 HydrophobicContact CD1-CG 4.06Å; L294-L296 HydrophobicContact CD2-CD1 4Å; L294-L296 HydrophobicContact CG-CD1 3.97Å; L294-L296 HydrophobicContact CG-CG 4.01Å; L296-N299 PolarHBondContact O-ND2 3.05Å; L296-L301 HydrophobicContact CB-CD1 4.03Å; L296-L301 HydrophobicContact CD1-CD1 4.01Å; L296-L301 HydrophobicContact CD2-CD1 4.29Å; L296-L301 HydrophobicContact CG-CD1 4.35Å; L296-L304 HydrophobicContact CD1-CD2 4.07Å; L296-L317 HydrophobicContact CD1-CD1 4.28Å; L296-N318 WeakPolarHBondContact CA-O 3.21Å; L296-N318 WeakPolarHBondContact CB-O 3.26Å; L296-N318 PolarHBondContact N-O 2.95Å; L296-A319 HydrophobicContact CB-CB 4.29Å; L296-N322 PolarHBondContact O-ND2 3.13Å
297	T	97.6	Very high	97.9	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.098	19%	0.188	C	C	.	.			trans	-50.6	141.2	-175.8	-52	0	0	0	0	112	D274 Q275 N299 N318 D320	D274-T297 CarbonylContact C-O 3.59Å; D274-T297 WeakPolarHBondContact CA-O 3.38Å; D274-T297 VanDerWaalsContact CB-O 3.27Å; D274-T297 WeakPolarHBondContact CB-O 3.27Å; Q275-T297 PolarHBondContact N-O 3.29Å; T297-N299 PolarHBondContact O-ND2 3.28Å; T297-N318 PolarHBondContact OG1-OD1 2.95Å; T297-D320 CarbonylContact C-O 3.46Å; T297-D320 VanDerWaalsContact CA-O 3.32Å; T297-D320 WeakPolarHBondContact CA-O 3.23Å; T297-D320 HydrophobicContact CG2-CB 3.98Å
298	E	97.6	Very high	97.9	Very high	63 Å²	63	33.9 Å²	33.9	29%	0.294	17%	0.174	S	C	.	.	S	Bend	trans	56.3	57.6	175.8	-69.4	-179.7	-160.6	0	0	113.4	Q275 N276 D320 R321	Q275-E298 VanDerWaalsContact CA-O 3.31Å; Q275-E298 WeakPolarHBondContact CA-O 3.41Å; Q275-E298 HydrophobicContact CG-CB 3.97Å; Q275-E298 PolarHBondContact N-O 2.74Å; N276-E298 PolarHBondContact N-O 2.89Å; E298-D320 PolarHBondContact N-O 2.95Å; E298-R321 WeakPolarHBondContact CA-O 3.08Å; E298-R321 HydrophobicContact CG-CB 3.67Å; E298-R321 HydrophobicContact CG-CG 4.27Å; E298-R321 VanDerWaalsContact OE1-CD 3.3Å; E298-R321 WeakPolarHBondContact OE1-CD 3.36Å; E298-R321 IonicContact OE1-CZ 2.86Å; E298-R321 IonicContact OE1-NE 3.04Å; E298-R321 IonicContact OE1-NH1 2.84Å; E298-R321 PolarHBondContact OE1-NH1 3.03Å
299	N	98.6	Very high	97.9	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.043	18%	0.178	C	C	.	.	S	Bend	trans	-122.7	-168.6	170	-86.6	-80.4	0	0	0	110.2	V273 N276 R277 L278 L296 T297 L301 N322	V273-N299 PolarHBondContact O-ND2 3.14Å; N276-N299 WeakPolarHBondContact CA-OD1 3.31Å; N276-N299 WeakPolarHBondContact CB-OD1 3.47Å; N276-N299 PolarHBondContact O-OD1 3.39Å; R277-N299 PolarHBondContact N-OD1 3.35Å; L278-N299 HydrophobicContact CB-CB 4.18Å; L278-N299 VanDerWaalsContact CB-OD1 3.22Å; L278-N299 WeakPolarHBondContact CB-OD1 3.17Å; L278-N299 VanDerWaalsContact CG-OD1 3.28Å; L278-N299 WeakPolarHBondContact CG-OD1 3.24Å; L278-N299 PolarHBondContact N-OD1 2.98Å; L296-N299 PolarHBondContact O-ND2 3.05Å; T297-N299 PolarHBondContact O-ND2 3.28Å; N299-L301 HydrophobicContact CB-CG 4.23Å; N299-N322 WeakPolarHBondContact CA-OD1 3.32Å; N299-N322 WeakPolarHBondContact CB-OD1 3.3Å; N299-N322 PolarHBondContact O-OD1 2.85Å
300	Q	98.3	Very high	98.1	Very high	73 Å²	73	34 Å²	34	34%	0.341	18%	0.175	S	C	.	.			trans	-114.9	25	-179.4	-53.5	-166.9	43.6	0	0	112.8	L278 T279 L302 N322 K323	L278-Q300 CarbonylContact O-C 3.08Å; L278-Q300 WeakPolarHBondContact O-CA 3.23Å; L278-Q300 WeakPolarHBondContact O-CB 3.37Å; L278-Q300 PolarHBondContact O-N 3.07Å; T279-Q300 HydrophobicContact CG2-CB 4.47Å; Q300-L302 PolarHBondContact O-N 3.13Å; Q300-N322 PolarHBondContact N-OD1 2.84Å; Q300-K323 HydrophobicContact CB-CD 4.38Å
301	L	98.4	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.			trans	-63.4	130.9	-173.6	-62.1	171.5	0	0	0	111.3	L278 L281 L296 N299 L304 N322 K323 L324	L278-L301 HydrophobicContact CB-CD2 4.02Å; L278-L301 PolarHBondContact O-N 3.13Å; L278-L301 VanDerWaalsContact O-N 3.11Å; L281-L301 HydrophobicContact CB-CD2 4.41Å; L296-L301 HydrophobicContact CB-CD1 4.03Å; L296-L301 HydrophobicContact CD1-CD1 4.01Å; L296-L301 HydrophobicContact CD2-CD1 4.29Å; L296-L301 HydrophobicContact CG-CD1 4.35Å; N299-L301 HydrophobicContact CB-CG 4.23Å; L301-L304 HydrophobicContact CD1-CD2 4.31Å; L301-N322 HydrophobicContact CB-CB 4.33Å; L301-N322 VanDerWaalsContact CB-OD1 3.26Å; L301-N322 WeakPolarHBondContact CB-OD1 3.05Å; L301-N322 VanDerWaalsContact CG-OD1 3.31Å; L301-N322 WeakPolarHBondContact CG-OD1 3.3Å; L301-N322 PolarHBondContact N-OD1 3.17Å; L301-K323 CarbonylContact O-C 3.06Å; L301-K323 VanDerWaalsContact O-CA 3.23Å; L301-K323 WeakPolarHBondContact O-CA 3.46Å; L301-K323 WeakPolarHBondContact O-CB 3.21Å; L301-K323 PolarHBondContact O-N 2.75Å; L301-L324 HydrophobicContact CB-CD2 3.89Å; L301-L324 PolarHBondContact O-N 3.13Å
302	L	96.9	Very high	98	Very high	95 Å²	95	37.6 Å²	37.6	50%	0.497	19%	0.187	S	C	.	.	S	Bend	trans	-90.8	-30.5	175.2	-63.9	175.7	0	0	0	112.9	Q300 K323 L324 V325	Q300-L302 PolarHBondContact O-N 3.13Å; L302-K323 HydrophobicContact CD2-CB 3.93Å; L302-L324 WeakPolarHBondContact O-CA 3.29Å; L302-V325 PolarHBondContact O-N 3.09Å; L302-V325 VanDerWaalsContact O-N 3.12Å
303	T	97.2	Very high	98	Very high	73 Å²	73	41.1 Å²	41.1	45%	0.448	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-150.2	155.9	179.6	57.5	0	0	0	0	109.9
304	L	98.3	Very high	98	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	19%	0.192	C	C	.	.			trans	-89.5	144.9	162.4	-60.5	175.9	0	0	0	109.8	L296 L301 L317 L324 L327 P328 F340	L296-L304 HydrophobicContact CD1-CD2 4.07Å; L301-L304 HydrophobicContact CD1-CD2 4.31Å; L304-L317 HydrophobicContact CD1-CD2 4.34Å; L304-L324 HydrophobicContact CD2-CD2 4.34Å; L304-L324 HydrophobicContact CG-CD1 4.28Å; L304-L324 HydrophobicContact CG-CD2 4.16Å; L304-L327 HydrophobicContact CD1-CD2 4.12Å; L304-P328 HydrophobicContact CB-CG 4.09Å; L304-F340 HydrophobicContact CD1-CZ 4.49Å
305	P	98.1	Very high	98	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	21%	0.205	C	C	.	.			trans	-66.5	153.1	178.7	27.2	-34.1	0	0	0	111.2	L281 E283 V285 S307 I308	L281-P305 HydrophobicContact CB-CG 4.22Å; L281-P305 HydrophobicContact CD2-CG 4.13Å; L281-P305 HydrophobicContact CG-CG 4.34Å; E283-P305 HydrophobicContact CG-CB 4.26Å; E283-P305 WeakPolarHBondContact OE1-CA 3.09Å; E283-P305 WeakPolarHBondContact OE1-CB 3.32Å; V285-P305 HydrophobicContact CG1-CG 3.74Å; P305-S307 PolarHBondContact O-N 3.01Å; P305-I308 WeakPolarHBondContact O-CB 3.49Å; P305-I308 VanDerWaalsContact O-CG2 3.25Å; P305-I308 WeakPolarHBondContact O-CG2 3.27Å; P305-I308 PolarHBondContact O-N 2.94Å
306	K	98.3	Very high	98	Very high	132 Å²	132	42 Å²	42	57%	0.574	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-66.4	-31.4	-179.9	-67.5	-178.7	-177.5	172.5	0	111.5	E283 I308 G309 P328 E330	E283-K306 PolarHBondContact OE1-N 2.83Å; E283-K306 PolarHBondContact OE2-N 2.98Å; K306-I308 PolarHBondContact O-N 2.97Å; K306-I308 VanDerWaalsContact O-N 3.09Å; K306-G309 PolarHBondContact O-N 2.79Å; K306-P328 HydrophobicContact CG-CB 4.5Å; K306-E330 HydrophobicContact CB-CG 4.18Å; K306-E330 WeakPolarHBondContact O-CB 3.48Å
307	S	98.4	Very high	98	Very high	4 Å²	4	42 Å²	42	3%	0.028	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.3	-16	176.5	67.8	0	0	0	0	114.3	E283 G286 P305 G309 K310	E283-S307 WeakPolarHBondContact CA-OG 3.46Å; E283-S307 WeakPolarHBondContact O-CB 3.34Å; E283-S307 PolarHBondContact O-OG 3.05Å; E283-S307 WeakPolarHBondContact OE2-CB 3.42Å; E283-S307 PolarHBondContact OE2-N 3.06Å; E283-S307 PolarHBondContact OE2-OG 2.79Å; G286-S307 VanDerWaalsContact CA-O 3.31Å; G286-S307 WeakPolarHBondContact CA-O 3.36Å; G286-S307 PolarHBondContact N-OG 3.34Å; P305-S307 PolarHBondContact O-N 3.01Å; S307-G309 PolarHBondContact O-N 3.01Å; S307-G309 VanDerWaalsContact O-N 3.09Å; S307-K310 WeakPolarHBondContact O-CB 3.13Å; S307-K310 WeakPolarHBondContact O-CG 3.16Å; S307-K310 PolarHBondContact O-N 3.07Å
308	I	98.1	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-52.8	-35.1	175.6	-159.2	76.9	0	0	0	111.6	L294 P305 K306 K310 L311 L317 P328 I331 C334	L294-I308 HydrophobicContact CD2-CD1 3.82Å; P305-I308 WeakPolarHBondContact O-CB 3.49Å; P305-I308 VanDerWaalsContact O-CG2 3.25Å; P305-I308 WeakPolarHBondContact O-CG2 3.27Å; P305-I308 PolarHBondContact O-N 2.94Å; K306-I308 PolarHBondContact O-N 2.97Å; K306-I308 VanDerWaalsContact O-N 3.09Å; I308-K310 PolarHBondContact O-N 2.83Å; I308-K310 VanDerWaalsContact O-N 3.07Å; I308-L311 HydrophobicContact CD1-CD1 3.59Å; I308-L311 HydrophobicContact CG1-CD1 4.28Å; I308-L311 WeakPolarHBondContact O-CB 3.44Å; I308-L311 WeakPolarHBondContact O-CG 3.45Å; I308-L311 PolarHBondContact O-N 2.75Å; I308-L317 HydrophobicContact CG1-CD2 4.42Å; I308-P328 HydrophobicContact CG2-CG 3.92Å; I308-I331 HydrophobicContact CG1-CD1 4.2Å; I308-I331 HydrophobicContact CG2-CD1 3.85Å; I308-C334 PolarHBondContact O-SG 2.97Å
309	G	97.6	Very high	98	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-64.7	-10.7	177.2	0	0	0	0	0	115.6	K306 S307 K312 E330 G333	K306-G309 PolarHBondContact O-N 2.79Å; S307-G309 PolarHBondContact O-N 3.01Å; S307-G309 VanDerWaalsContact O-N 3.09Å; G309-K312 PolarHBondContact O-NZ 3.4Å; G309-E330 WeakPolarHBondContact CA-O 3.33Å; G309-G333 CarbonylContact O-C 3.16Å
310	K	98.3	Very high	98	Very high	112 Å²	112	38.8 Å²	38.8	49%	0.487	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-78.3	-21	172.4	-64	175.8	175.1	176.1	0	112.3	G286 D287 S307 I308 K312	G286-K310 VanDerWaalsContact O-CB 3.23Å; G286-K310 WeakPolarHBondContact O-CB 3.16Å; D287-K310 IonicContact OD1-NZ 2.81Å; D287-K310 PolarHBondContact OD1-NZ 3.03Å; S307-K310 WeakPolarHBondContact O-CB 3.13Å; S307-K310 WeakPolarHBondContact O-CG 3.16Å; S307-K310 PolarHBondContact O-N 3.07Å; I308-K310 PolarHBondContact O-N 2.83Å; I308-K310 VanDerWaalsContact O-N 3.07Å; K310-K312 VanDerWaalsContact C-N 3.29Å; K310-K312 WeakPolarHBondContact O-CG 3.16Å; K310-K312 PolarHBondContact O-N 3.05Å
311	L	98.3	Very high	98	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.19	C	C	.	.			trans	-75.3	77.7	-175.4	-58.8	178.4	0	0	0	111.3	C288 L291 I308 K313 L314	C288-L311 HydrophobicContact CB-CD2 4.4Å; C288-L311 WeakPolarHBondContact O-CD2 3.24Å; L291-L311 HydrophobicContact CB-CD2 4.21Å; L291-L311 HydrophobicContact CD2-CD1 3.91Å; I308-L311 HydrophobicContact CD1-CD1 3.59Å; I308-L311 HydrophobicContact CG1-CD1 4.28Å; I308-L311 WeakPolarHBondContact O-CB 3.44Å; I308-L311 WeakPolarHBondContact O-CG 3.45Å; I308-L311 PolarHBondContact O-N 2.75Å; L311-K313 VanDerWaalsContact C-N 3.25Å; L311-K313 PolarHBondContact O-N 3.13Å; L311-L314 HydrophobicContact CB-CB 3.83Å; L311-L314 HydrophobicContact CB-CD2 4.35Å; L311-L314 HydrophobicContact CD1-CD2 4.05Å; L311-L314 WeakPolarHBondContact O-CB 3.38Å; L311-L314 PolarHBondContact O-N 3.04Å
312	K	97.4	Very high	98	Very high	104 Å²	104	39.8 Å²	39.8	45%	0.452	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.3	-173.7	-58.6	-45.6	-171.6	-171.6	0	114.1	G309 K310 G333 S336	G309-K312 PolarHBondContact O-NZ 3.4Å; K310-K312 VanDerWaalsContact C-N 3.29Å; K310-K312 WeakPolarHBondContact O-CG 3.16Å; K310-K312 PolarHBondContact O-N 3.05Å; K312-G333 WeakPolarHBondContact CD-O 3.45Å; K312-G333 PolarHBondContact NZ-O 3.16Å; K312-S336 WeakPolarHBondContact O-CB 3.25Å; K312-S336 PolarHBondContact O-OG 3.03Å
313	K	98.1	Very high	98	Very high	115 Å²	115	38.6 Å²	38.6	50%	0.5	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-3.8	178.6	-63.9	-174.1	-173.1	173.6	0	113.7	L291 T292 L311 S315	L291-K313 CarbonylContact O-C 3.45Å; T292-K313 HydrophobicContact CG2-CB 4.43Å; L311-K313 VanDerWaalsContact C-N 3.25Å; L311-K313 PolarHBondContact O-N 3.13Å; K313-S315 PolarHBondContact O-N 3Å; K313-S315 VanDerWaalsContact O-N 3.13Å
314	L	98.4	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.162	C	C	.	.			trans	-64.9	117.8	-177.5	-172.4	67.7	0	0	0	109.1	L291 L294 L311 L317 S336 L337	L291-L314 HydrophobicContact CD2-CD1 4.37Å; L291-L314 HydrophobicContact CG-CD1 4.36Å; L291-L314 WeakPolarHBondContact O-CA 3.42Å; L291-L314 PolarHBondContact O-N 3Å; L294-L314 HydrophobicContact CB-CD1 3.86Å; L311-L314 HydrophobicContact CB-CB 3.83Å; L311-L314 HydrophobicContact CB-CD2 4.35Å; L311-L314 HydrophobicContact CD1-CD2 4.05Å; L311-L314 WeakPolarHBondContact O-CB 3.38Å; L311-L314 PolarHBondContact O-N 3.04Å; L314-L317 HydrophobicContact CD2-CB 4.01Å; L314-L317 HydrophobicContact CD2-CD1 4.44Å; L314-L317 HydrophobicContact CD2-CD2 4.18Å; L314-L317 HydrophobicContact CD2-CG 4.44Å; L314-S336 CarbonylContact O-C 3.44Å; L314-L337 HydrophobicContact CD2-CD1 4.4Å; L314-L337 HydrophobicContact CG-CD1 4.24Å; L314-L337 WeakPolarHBondContact O-CA 3.41Å; L314-L337 PolarHBondContact O-N 3.22Å
315	S	97.6	Very high	98	Very high	40 Å²	40	38.2 Å²	38.2	28%	0.28	18%	0.181	S	C	.	.			trans	-105	-37.2	-177.6	70.1	0	0	0	0	111.7	T292 K313 S336 T338 V339	T292-S315 PolarHBondContact O-N 2.8Å; T292-S315 PolarHBondContact O-OG 2.96Å; K313-S315 PolarHBondContact O-N 3Å; K313-S315 VanDerWaalsContact O-N 3.13Å; S315-S336 WeakPolarHBondContact CA-O 3.36Å; S315-T338 PolarHBondContact O-N 3.32Å; S315-T338 PolarHBondContact O-OG1 3.49Å; S315-V339 PolarHBondContact O-N 2.58Å
316	N	97.8	Very high	97.9	Very high	24 Å²	24	40.4 Å²	40.4	13%	0.128	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.7	-179.1	-174.9	1.1	0	0	0	109.8	T292 E293 L294	T292-N316 PolarHBondContact O-N 2.97Å; E293-N316 WeakPolarHBondContact CA-O 3.41Å; E293-N316 HydrophobicContact CG-CB 4.27Å; L294-N316 PolarHBondContact N-O 2.99Å
317	L	98.4	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.7	171.9	178.3	57.2	0	0	0	108.9	L294 L296 L304 I308 L314 I331 L337 V339 F340 C341	L294-L317 HydrophobicContact CB-CD1 3.9Å; L294-L317 HydrophobicContact CD2-CD1 3.82Å; L294-L317 HydrophobicContact CG-CD1 3.83Å; L294-L317 WeakPolarHBondContact O-CA 3.36Å; L296-L317 HydrophobicContact CD1-CD1 4.28Å; L304-L317 HydrophobicContact CD1-CD2 4.34Å; I308-L317 HydrophobicContact CG1-CD2 4.42Å; L314-L317 HydrophobicContact CD2-CB 4.01Å; L314-L317 HydrophobicContact CD2-CD1 4.44Å; L314-L317 HydrophobicContact CD2-CD2 4.18Å; L314-L317 HydrophobicContact CD2-CG 4.44Å; L317-I331 HydrophobicContact CD2-CD1 3.85Å; L317-L337 HydrophobicContact CB-CD1 3.77Å; L317-V339 PolarHBondContact N-O 3.03Å; L317-F340 HydrophobicContact CB-CD2 3.81Å; L317-F340 HydrophobicContact CB-CE2 4.26Å; L317-F340 HydrophobicContact CD2-CD2 3.74Å; L317-F340 HydrophobicContact CD2-CE2 3.38Å; L317-F340 HydrophobicContact CD2-CZ 4.21Å; L317-F340 HydrophobicContact CG-CD2 3.72Å; L317-F340 HydrophobicContact CG-CE2 3.64Å; L317-F340 WeakPolarHBondContact O-CA 3.3Å; L317-F340 WeakPolarHBondContact O-CD2 3.48Å; L317-C341 PolarHBondContact O-N 2.97Å
318	N	98.2	Very high	97.9	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.4	171.2	-168.8	-29.9	0	0	0	109.6	L294 V295 L296 T297 D320 C341	L294-N318 PolarHBondContact O-N 2.77Å; V295-N318 HydrophobicContact CG1-CB 4.32Å; L296-N318 WeakPolarHBondContact CA-O 3.21Å; L296-N318 WeakPolarHBondContact CB-O 3.26Å; L296-N318 PolarHBondContact N-O 2.95Å; T297-N318 PolarHBondContact OG1-OD1 2.95Å; N318-D320 PolarHBondContact ND2-OD2 3.11Å; N318-D320 VanDerWaalsContact ND2-OD2 3.09Å; N318-D320 VanDerWaalsContact OD1-CB 3.24Å; N318-D320 WeakPolarHBondContact OD1-CB 3.28Å; N318-D320 PolarHBondContact OD1-N 2.95Å; N318-D320 PolarHBondContact OD1-OD1 3.08Å; N318-D320 PolarHBondContact OD1-OD2 2.9Å; N318-D320 VanDerWaalsContact OD1-OD2 3.1Å; N318-C341 HydrophobicContact CB-CB 4.45Å
319	A	98.1	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.			trans	-130.6	34.6	172.3	0	0	0	0	0	111.2	L296 N322 L324 C341 V342 N345	L296-A319 HydrophobicContact CB-CB 4.29Å; A319-N322 PolarHBondContact O-ND2 3Å; A319-L324 HydrophobicContact CB-CD1 4.05Å; A319-C341 PolarHBondContact N-O 2.81Å; A319-V342 HydrophobicContact CB-CG1 4.37Å; A319-N345 PolarHBondContact O-ND2 2.97Å
320	D	98	Very high	97.9	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.053	21%	0.209	C	C	.	.			trans	-57.7	154	176.4	-66.3	-21.1	0	0	0	111.4	T297 E298 N318 N322 C341 V342 R343	T297-D320 CarbonylContact C-O 3.46Å; T297-D320 VanDerWaalsContact CA-O 3.32Å; T297-D320 WeakPolarHBondContact CA-O 3.23Å; T297-D320 HydrophobicContact CG2-CB 3.98Å; E298-D320 PolarHBondContact N-O 2.95Å; N318-D320 PolarHBondContact ND2-OD2 3.11Å; N318-D320 VanDerWaalsContact ND2-OD2 3.09Å; N318-D320 VanDerWaalsContact OD1-CB 3.24Å; N318-D320 WeakPolarHBondContact OD1-CB 3.28Å; N318-D320 PolarHBondContact OD1-N 2.95Å; N318-D320 PolarHBondContact OD1-OD1 3.08Å; N318-D320 PolarHBondContact OD1-OD2 2.9Å; N318-D320 VanDerWaalsContact OD1-OD2 3.1Å; D320-N322 VanDerWaalsContact C-N 3.34Å; D320-N322 PolarHBondContact O-N 2.96Å; D320-N322 PolarHBondContact O-ND2 3.03Å; D320-C341 WeakPolarHBondContact OD1-CB 3.45Å; D320-V342 PolarHBondContact OD1-N 3.35Å; D320-V342 VanDerWaalsContact OD1-N 3.13Å; D320-R343 CarbonylContact C-O 3.24Å; D320-R343 WeakPolarHBondContact CA-O 3.01Å; D320-R343 HydrophobicContact CB-CB 4.36Å; D320-R343 WeakPolarHBondContact OD1-CB 3.24Å; D320-R343 PolarHBondContact OD1-N 2.89Å
321	R	97.5	Very high	97.9	Very high	83 Å²	83	37.8 Å²	37.8	31%	0.313	19%	0.185	S	C	.	.	S	Bend	trans	52.2	49.2	172.9	-62.3	177	176.3	178.1	2	112.9	E298 R343 D344 A451	E298-R321 WeakPolarHBondContact CA-O 3.08Å; E298-R321 HydrophobicContact CG-CB 3.67Å; E298-R321 HydrophobicContact CG-CG 4.27Å; E298-R321 VanDerWaalsContact OE1-CD 3.3Å; E298-R321 WeakPolarHBondContact OE1-CD 3.36Å; E298-R321 IonicContact OE1-CZ 2.86Å; E298-R321 IonicContact OE1-NE 3.04Å; E298-R321 IonicContact OE1-NH1 2.84Å; E298-R321 PolarHBondContact OE1-NH1 3.03Å; R321-R343 PolarHBondContact N-O 2.8Å; R321-D344 WeakPolarHBondContact CA-O 3.14Å; R321-D344 HydrophobicContact CG-CB 3.86Å; R321-D344 IonicContact NE-OD2 3.27Å; R321-A451 PolarHBondContact NH2-O 3.3Å
322	N	98.4	Very high	97.8	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	19%	0.186	C	C	.	.	S	Bend	trans	-114.5	-167.4	174.4	-89.4	-86.6	0	0	0	110.4	L296 N299 Q300 L301 A319 D320 L324 N345	L296-N322 PolarHBondContact O-ND2 3.13Å; N299-N322 WeakPolarHBondContact CA-OD1 3.32Å; N299-N322 WeakPolarHBondContact CB-OD1 3.3Å; N299-N322 PolarHBondContact O-OD1 2.85Å; Q300-N322 PolarHBondContact N-OD1 2.84Å; L301-N322 HydrophobicContact CB-CB 4.33Å; L301-N322 VanDerWaalsContact CB-OD1 3.26Å; L301-N322 WeakPolarHBondContact CB-OD1 3.05Å; L301-N322 VanDerWaalsContact CG-OD1 3.31Å; L301-N322 WeakPolarHBondContact CG-OD1 3.3Å; L301-N322 PolarHBondContact N-OD1 3.17Å; A319-N322 PolarHBondContact O-ND2 3Å; D320-N322 VanDerWaalsContact C-N 3.34Å; D320-N322 PolarHBondContact O-N 2.96Å; D320-N322 PolarHBondContact O-ND2 3.03Å; N322-L324 HydrophobicContact CB-CG 4.11Å; N322-N345 VanDerWaalsContact CA-OD1 3.28Å; N322-N345 WeakPolarHBondContact CA-OD1 3.39Å; N322-N345 WeakPolarHBondContact CB-OD1 3.25Å; N322-N345 PolarHBondContact N-OD1 2.99Å; N322-N345 PolarHBondContact O-OD1 3.29Å
323	K	98	Very high	97.8	Very high	70 Å²	70	33.7 Å²	33.7	30%	0.304	17%	0.173	S	C	.	.			trans	-113.2	25.6	177.6	-61.9	174.7	-174.4	168.8	0	111.5	Q300 L301 L302 V325 N345	Q300-K323 HydrophobicContact CB-CD 4.38Å; L301-K323 CarbonylContact O-C 3.06Å; L301-K323 VanDerWaalsContact O-CA 3.23Å; L301-K323 WeakPolarHBondContact O-CA 3.46Å; L301-K323 WeakPolarHBondContact O-CB 3.21Å; L301-K323 PolarHBondContact O-N 2.75Å; L302-K323 HydrophobicContact CD2-CB 3.93Å; K323-V325 PolarHBondContact O-N 2.81Å; K323-N345 PolarHBondContact N-OD1 2.85Å
324	L	98.3	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.			trans	-61.9	122.5	-173	-62	173.9	0	0	0	110.8	L301 L302 L304 A319 N322 L327 N345 R346 L347	L301-L324 HydrophobicContact CB-CD2 3.89Å; L301-L324 PolarHBondContact O-N 3.13Å; L302-L324 WeakPolarHBondContact O-CA 3.29Å; L304-L324 HydrophobicContact CD2-CD2 4.34Å; L304-L324 HydrophobicContact CG-CD1 4.28Å; L304-L324 HydrophobicContact CG-CD2 4.16Å; A319-L324 HydrophobicContact CB-CD1 4.05Å; N322-L324 HydrophobicContact CB-CG 4.11Å; L324-L327 HydrophobicContact CD1-CD2 4.31Å; L324-N345 HydrophobicContact CB-CB 4.21Å; L324-N345 WeakPolarHBondContact CB-OD1 3.15Å; L324-N345 VanDerWaalsContact CG-OD1 3.24Å; L324-N345 WeakPolarHBondContact CG-OD1 3.38Å; L324-N345 PolarHBondContact N-OD1 3.41Å; L324-R346 CarbonylContact O-C 2.99Å; L324-R346 WeakPolarHBondContact O-CA 3.21Å; L324-R346 WeakPolarHBondContact O-CB 3.2Å; L324-R346 PolarHBondContact O-N 3.41Å; L324-L347 HydrophobicContact CB-CD2 3.91Å; L324-L347 PolarHBondContact O-N 3.43Å; L324-L347 VanDerWaalsContact O-N 3.14Å
325	V	96.8	Very high	97.6	Very high	71 Å²	71	30.7 Å²	30.7	43%	0.43	17%	0.166	S	C	.	.			trans	-93.7	-29	179.1	-177.4	0	0	0	0	111.8	L302 K323 R346	L302-V325 PolarHBondContact O-N 3.09Å; L302-V325 VanDerWaalsContact O-N 3.12Å; K323-V325 PolarHBondContact O-N 2.81Å; V325-R346 HydrophobicContact CG2-CB 4.5Å
326	S	96.9	Very high	97.5	Very high	55 Å²	55	31.1 Å²	31.1	39%	0.385	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-151	153.5	177.9	59	0	0	0	0	110.6
327	L	98.1	Very high	97.5	Very high	12 Å²	12	30 Å²	30	6%	0.063	16%	0.163	C	C	.	.			trans	-95.2	143.1	167.3	-59.3	175.1	0	0	0	110.1	L304 L324 F340 V342 L347 I350 P351 M354	L304-L327 HydrophobicContact CD1-CD2 4.12Å; L324-L327 HydrophobicContact CD1-CD2 4.31Å; L327-F340 HydrophobicContact CD1-CE1 3.72Å; L327-F340 HydrophobicContact CD1-CZ 4.04Å; L327-F340 HydrophobicContact CD2-CE1 4.5Å; L327-F340 HydrophobicContact CD2-CZ 3.97Å; L327-V342 HydrophobicContact CD2-CG1 4.36Å; L327-L347 HydrophobicContact CD1-CD1 4.02Å; L327-L347 HydrophobicContact CD2-CD1 4.19Å; L327-L347 HydrophobicContact CD2-CD2 4.06Å; L327-L347 HydrophobicContact CG-CD1 3.96Å; L327-L347 HydrophobicContact CG-CD2 3.86Å; L327-I350 HydrophobicContact CD1-CD1 4.07Å; L327-P351 HydrophobicContact CB-CG 4.09Å; L327-M354 HydrophobicContact CD1-CE 3.85Å
328	P	97.9	Very high	97.5	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.104	17%	0.173	C	C	.	.			trans	-66.2	142.3	172	29	-34.1	0	0	0	109.9	L304 K306 I308 E330 I331	L304-P328 HydrophobicContact CB-CG 4.09Å; K306-P328 HydrophobicContact CG-CB 4.5Å; I308-P328 HydrophobicContact CG2-CG 3.92Å; P328-E330 PolarHBondContact O-N 3.5Å; P328-I331 WeakPolarHBondContact O-CB 3.35Å; P328-I331 WeakPolarHBondContact O-CG2 3.21Å; P328-I331 PolarHBondContact O-N 2.93Å; P328-I331 VanDerWaalsContact O-N 3.14Å
329	K	97.8	Very high	97.5	Very high	117 Å²	117	31.3 Å²	31.3	51%	0.509	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-60.8	-28.1	175.5	62.1	174.9	-175.6	174.7	0	112.1	I331 G332 E353	K329-I331 PolarHBondContact O-N 2.74Å; K329-I331 VanDerWaalsContact O-N 3.1Å; K329-G332 PolarHBondContact O-N 3.37Å; K329-E353 HydrophobicContact CB-CB 4.28Å; K329-E353 HydrophobicContact CB-CG 4.06Å; K329-E353 VanDerWaalsContact O-CB 3.25Å; K329-E353 WeakPolarHBondContact O-CB 3.41Å
330	E	98.3	Very high	97.5	Very high	56 Å²	56	31.3 Å²	31.3	26%	0.262	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-62.3	-15.3	179	-67	76.8	-169.8	0	0	112.8	K306 G309 P328 G332 G333	K306-E330 HydrophobicContact CB-CG 4.18Å; K306-E330 WeakPolarHBondContact O-CB 3.48Å; G309-E330 WeakPolarHBondContact CA-O 3.33Å; P328-E330 PolarHBondContact O-N 3.5Å; E330-G332 PolarHBondContact O-N 2.88Å; E330-G332 VanDerWaalsContact O-N 3.13Å; E330-G333 WeakPolarHBondContact O-CA 3.14Å; E330-G333 PolarHBondContact O-N 2.58Å
331	I	97.5	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56	-28.9	174.2	-162.8	64.2	0	0	0	112.9	I308 L317 P328 K329 G333 C334 F340 P351 M354	I308-I331 HydrophobicContact CG1-CD1 4.2Å; I308-I331 HydrophobicContact CG2-CD1 3.85Å; L317-I331 HydrophobicContact CD2-CD1 3.85Å; P328-I331 WeakPolarHBondContact O-CB 3.35Å; P328-I331 WeakPolarHBondContact O-CG2 3.21Å; P328-I331 PolarHBondContact O-N 2.93Å; P328-I331 VanDerWaalsContact O-N 3.14Å; K329-I331 PolarHBondContact O-N 2.74Å; K329-I331 VanDerWaalsContact O-N 3.1Å; I331-G333 PolarHBondContact O-N 2.88Å; I331-G333 VanDerWaalsContact O-N 3.12Å; I331-C334 WeakPolarHBondContact O-CB 3.34Å; I331-C334 PolarHBondContact O-N 2.87Å; I331-C334 VanDerWaalsContact O-N 3.07Å; I331-F340 HydrophobicContact CD1-CZ 4.46Å; I331-F340 HydrophobicContact CG1-CE1 4.28Å; I331-F340 HydrophobicContact CG1-CZ 4.39Å; I331-P351 HydrophobicContact CG2-CG 3.98Å; I331-M354 HydrophobicContact CB-CE 4.39Å; I331-M354 HydrophobicContact CG1-CE 4.01Å; I331-M354 HydrophobicContact CG1-SD 4.4Å; I331-M354 HydrophobicContact CG2-CE 3.44Å; I331-M354 VanDerWaalsContact CG2-CE 3.44Å; I331-M354 HydrophobicContact CG2-SD 4.03Å
332	G	96.6	Very high	97.5	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.021	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.4	-18.7	171.7	0	0	0	0	0	114	K329 E330 C334 E353 Q356 A357	K329-G332 PolarHBondContact O-N 3.37Å; E330-G332 PolarHBondContact O-N 2.88Å; E330-G332 VanDerWaalsContact O-N 3.13Å; G332-C334 VanDerWaalsContact C-N 3.28Å; G332-C334 PolarHBondContact O-N 2.85Å; G332-E353 WeakPolarHBondContact CA-O 3.49Å; G332-Q356 CarbonylContact O-C 3.19Å; G332-Q356 VanDerWaalsContact O-C 3.22Å; G332-Q356 VanDerWaalsContact O-CB 3.25Å; G332-Q356 WeakPolarHBondContact O-CB 3.36Å; G332-A357 PolarHBondContact O-N 2.88Å
333	G	97.2	Very high	97.4	Very high	17 Å²	17	29 Å²	29	18%	0.175	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-71.7	-17.1	174.8	0	0	0	0	0	114.3	G309 K312 E330 I331 C335	G309-G333 CarbonylContact O-C 3.16Å; K312-G333 WeakPolarHBondContact CD-O 3.45Å; K312-G333 PolarHBondContact NZ-O 3.16Å; E330-G333 WeakPolarHBondContact O-CA 3.14Å; E330-G333 PolarHBondContact O-N 2.58Å; I331-G333 PolarHBondContact O-N 2.88Å; I331-G333 VanDerWaalsContact O-N 3.12Å; G333-C335 PolarHBondContact O-N 3.08Å
334	C	97.1	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.			trans	-75.7	72.7	176.6	-58.2	0	0	0	0	110.2	I308 I331 G332 S336 L337	I308-C334 PolarHBondContact O-SG 2.97Å; I331-C334 WeakPolarHBondContact O-CB 3.34Å; I331-C334 PolarHBondContact O-N 2.87Å; I331-C334 VanDerWaalsContact O-N 3.07Å; G332-C334 VanDerWaalsContact C-N 3.28Å; G332-C334 PolarHBondContact O-N 2.85Å; C334-S336 PolarHBondContact O-N 2.75Å; C334-L337 HydrophobicContact CB-CB 3.87Å; C334-L337 HydrophobicContact CB-CD2 4.22Å; C334-L337 WeakPolarHBondContact O-CB 3.4Å; C334-L337 PolarHBondContact O-N 3.02Å; C334-L337 VanDerWaalsContact O-N 3.09Å
335	C	94.4	Very high	97.2	Very high	51 Å²	51	28.1 Å²	28.1	35%	0.345	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	-169.6	54.7	0	0	0	0	114.6	G333 E359	G333-C335 PolarHBondContact O-N 3.08Å; C335-E359 WeakPolarHBondContact O-CG 3.11Å
336	S	96.8	Very high	97.3	Very high	50 Å²	50	30.1 Å²	30.1	35%	0.35	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.6	177.9	-47.6	0	0	0	0	113.6	K312 L314 S315 C334 T338	K312-S336 WeakPolarHBondContact O-CB 3.25Å; K312-S336 PolarHBondContact O-OG 3.03Å; L314-S336 CarbonylContact O-C 3.44Å; S315-S336 WeakPolarHBondContact CA-O 3.36Å; C334-S336 PolarHBondContact O-N 2.75Å; S336-T338 WeakPolarHBondContact O-CG2 3.19Å; S336-T338 PolarHBondContact O-N 3.43Å
337	L	97.9	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.			trans	-69.1	116.8	-175.7	-173.4	66.9	0	0	0	109.8	L314 L317 C334 V339 F340 E359 L360	L314-L337 HydrophobicContact CD2-CD1 4.4Å; L314-L337 HydrophobicContact CG-CD1 4.24Å; L314-L337 WeakPolarHBondContact O-CA 3.41Å; L314-L337 PolarHBondContact O-N 3.22Å; L317-L337 HydrophobicContact CB-CD1 3.77Å; C334-L337 HydrophobicContact CB-CB 3.87Å; C334-L337 HydrophobicContact CB-CD2 4.22Å; C334-L337 WeakPolarHBondContact O-CB 3.4Å; C334-L337 PolarHBondContact O-N 3.02Å; C334-L337 VanDerWaalsContact O-N 3.09Å; L337-V339 WeakPolarHBondContact CD1-O 3.46Å; L337-F340 HydrophobicContact CD2-CB 3.89Å; L337-F340 HydrophobicContact CD2-CD1 4.45Å; L337-F340 HydrophobicContact CD2-CG 4.07Å; L337-F340 HydrophobicContact CG-CB 4.3Å; L337-E359 CarbonylContact O-C 3.58Å; L337-L360 HydrophobicContact CD2-CD1 4.3Å; L337-L360 HydrophobicContact CG-CD1 4.09Å; L337-L360 WeakPolarHBondContact O-CA 3.35Å; L337-L360 PolarHBondContact O-N 3.25Å
338	T	97.7	Very high	97.1	Very high	34 Å²	34	29.9 Å²	29.9	21%	0.209	16%	0.157	C	C	.	.			trans	-103.9	-37.8	-178.3	63.3	0	0	0	0	112.3	S315 S336 E359 H361 V362	S315-T338 PolarHBondContact O-N 3.32Å; S315-T338 PolarHBondContact O-OG1 3.49Å; S336-T338 WeakPolarHBondContact O-CG2 3.19Å; S336-T338 PolarHBondContact O-N 3.43Å; T338-E359 WeakPolarHBondContact CA-O 3.34Å; T338-E359 HydrophobicContact CG2-CB 4.45Å; T338-H361 PolarHBondContact O-N 3.38Å; T338-V362 PolarHBondContact O-N 3Å
339	V	97.9	Very high	97	Very high	3 Å²	3	37 Å²	37	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.6	178.2	-175.6	0	0	0	0	109.2	S315 L317 L337 V362 F460	S315-V339 PolarHBondContact O-N 2.58Å; L317-V339 PolarHBondContact N-O 3.03Å; L337-V339 WeakPolarHBondContact CD1-O 3.46Å; V339-V362 HydrophobicContact CG1-CB 4.36Å; V339-V362 HydrophobicContact CG1-CG1 4.41Å; V339-V362 HydrophobicContact CG2-CB 4.39Å; V339-F460 HydrophobicContact CG2-CD2 4.25Å; V339-F460 HydrophobicContact CG2-CE2 3.46Å; V339-F460 VanDerWaalsContact CG2-CE2 3.46Å; V339-F460 HydrophobicContact CG2-CZ 4.23Å
340	F	98.3	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.1	172.3	-173.5	-147.6	0	0	0	110.9	L304 L317 L327 I331 L337 V342 M354 L360 V362 L363 D364	L304-F340 HydrophobicContact CD1-CZ 4.49Å; L317-F340 HydrophobicContact CB-CD2 3.81Å; L317-F340 HydrophobicContact CB-CE2 4.26Å; L317-F340 HydrophobicContact CD2-CD2 3.74Å; L317-F340 HydrophobicContact CD2-CE2 3.38Å; L317-F340 HydrophobicContact CD2-CZ 4.21Å; L317-F340 HydrophobicContact CG-CD2 3.72Å; L317-F340 HydrophobicContact CG-CE2 3.64Å; L317-F340 WeakPolarHBondContact O-CA 3.3Å; L317-F340 WeakPolarHBondContact O-CD2 3.48Å; L327-F340 HydrophobicContact CD1-CE1 3.72Å; L327-F340 HydrophobicContact CD1-CZ 4.04Å; L327-F340 HydrophobicContact CD2-CE1 4.5Å; L327-F340 HydrophobicContact CD2-CZ 3.97Å; I331-F340 HydrophobicContact CD1-CZ 4.46Å; I331-F340 HydrophobicContact CG1-CE1 4.28Å; I331-F340 HydrophobicContact CG1-CZ 4.39Å; L337-F340 HydrophobicContact CD2-CB 3.89Å; L337-F340 HydrophobicContact CD2-CD1 4.45Å; L337-F340 HydrophobicContact CD2-CG 4.07Å; L337-F340 HydrophobicContact CG-CB 4.3Å; F340-V342 HydrophobicContact CD2-CG1 3.95Å; F340-V342 HydrophobicContact CE1-CG1 3.88Å; F340-V342 HydrophobicContact CE2-CG1 3.19Å; F340-V342 HydrophobicContact CZ-CB 4.49Å; F340-V342 HydrophobicContact CZ-CG1 3.16Å; F340-M354 HydrophobicContact CD1-CE 3.76Å; F340-M354 HydrophobicContact CD1-SD 4.16Å; F340-M354 HydrophobicContact CE1-CE 3.44Å; F340-M354 VanDerWaalsContact CE1-CE 3.44Å; F340-M354 HydrophobicContact CE1-SD 4.39Å; F340-L360 HydrophobicContact CB-CD1 3.79Å; F340-V362 PolarHBondContact N-O 3.3Å; F340-L363 HydrophobicContact CB-CD1 4.2Å; F340-L363 HydrophobicContact CD1-CD1 3.66Å; F340-L363 HydrophobicContact CE1-CD1 4.45Å; F340-L363 HydrophobicContact CG-CD1 4.26Å; F340-L363 WeakPolarHBondContact O-CA 3.12Å; F340-D364 PolarHBondContact O-N 3.27Å
341	C	97.8	Very high	96.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.4	178.6	-57.2	0	0	0	0	109.8	L317 N318 A319 D320 D364	L317-C341 PolarHBondContact O-N 2.97Å; N318-C341 HydrophobicContact CB-CB 4.45Å; A319-C341 PolarHBondContact N-O 2.81Å; D320-C341 WeakPolarHBondContact OD1-CB 3.45Å; C341-D364 HydrophobicContact CB-CB 4.33Å
342	V	97.6	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.			trans	-137.9	36.5	175.8	-62.9	0	0	0	0	111	A319 D320 L327 F340 N345 L347 D364 V365 N368	A319-V342 HydrophobicContact CB-CG1 4.37Å; D320-V342 PolarHBondContact OD1-N 3.35Å; D320-V342 VanDerWaalsContact OD1-N 3.13Å; L327-V342 HydrophobicContact CD2-CG1 4.36Å; F340-V342 HydrophobicContact CD2-CG1 3.95Å; F340-V342 HydrophobicContact CE1-CG1 3.88Å; F340-V342 HydrophobicContact CE2-CG1 3.19Å; F340-V342 HydrophobicContact CZ-CB 4.49Å; F340-V342 HydrophobicContact CZ-CG1 3.16Å; V342-N345 PolarHBondContact O-ND2 3.24Å; V342-N345 VanDerWaalsContact O-ND2 3.17Å; V342-L347 HydrophobicContact CB-CD1 4.1Å; V342-L347 HydrophobicContact CG2-CD1 3.56Å; V342-D364 WeakPolarHBondContact CG2-O 3.35Å; V342-D364 PolarHBondContact N-O 3.49Å; V342-V365 HydrophobicContact CG2-CB 4.3Å; V342-V365 HydrophobicContact CG2-CG1 3.61Å; V342-N368 PolarHBondContact O-ND2 3.26Å
343	R	95.9	Very high	96.9	Very high	53 Å²	53	35.2 Å²	35.2	20%	0.2	18%	0.184	C	C	.	.			trans	-61.1	153.9	179.8	178.3	171.5	171	174.3	-4.7	111.5	D320 R321 N345 A366 D389	D320-R343 CarbonylContact C-O 3.24Å; D320-R343 WeakPolarHBondContact CA-O 3.01Å; D320-R343 HydrophobicContact CB-CB 4.36Å; D320-R343 WeakPolarHBondContact OD1-CB 3.24Å; D320-R343 PolarHBondContact OD1-N 2.89Å; R321-R343 PolarHBondContact N-O 2.8Å; R343-N345 VanDerWaalsContact C-N 3.34Å; R343-N345 PolarHBondContact O-N 3Å; R343-N345 PolarHBondContact O-ND2 3.31Å; R343-A366 CarbonylContact C-O 3.53Å; R343-A366 WeakPolarHBondContact CA-O 3.34Å; R343-A366 HydrophobicContact CG-CB 4.09Å; R343-A366 WeakPolarHBondContact CG-O 3.21Å; R343-D389 IonicContact CZ-OD1 3.9Å; R343-D389 IonicContact CZ-OD2 3.26Å; R343-D389 IonicContact NE-OD1 2.63Å; R343-D389 PolarHBondContact NE-OD1 3.46Å; R343-D389 IonicContact NE-OD2 2.69Å; R343-D389 IonicContact NH1-OD1 3.28Å; R343-D389 IonicContact NH2-OD1 2.69Å; R343-D389 PolarHBondContact NH2-OD1 3.02Å; R343-D389 IonicContact NH2-OD2 2.92Å; R343-D389 PolarHBondContact NH2-OD2 2.96Å
344	D	96.3	Very high	96.9	Very high	45 Å²	45	34.4 Å²	34.4	24%	0.241	18%	0.176	C	C	.	.	S	Bend	trans	52.9	49.7	173.9	-62.8	-34.2	0	0	0	112.7	R321 A366 G367	R321-D344 WeakPolarHBondContact CA-O 3.14Å; R321-D344 HydrophobicContact CG-CB 3.86Å; R321-D344 IonicContact NE-OD2 3.27Å; D344-A366 PolarHBondContact N-O 2.7Å; D344-G367 WeakPolarHBondContact CA-O 3.37Å
345	N	97.6	Very high	96.8	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.043	19%	0.186	C	C	.	.	S	Bend	trans	-117	-164.8	176.3	-89.2	-81.9	0	0	0	110.6	A319 N322 K323 L324 V342 R343 L347 N368	A319-N345 PolarHBondContact O-ND2 2.97Å; N322-N345 VanDerWaalsContact CA-OD1 3.28Å; N322-N345 WeakPolarHBondContact CA-OD1 3.39Å; N322-N345 WeakPolarHBondContact CB-OD1 3.25Å; N322-N345 PolarHBondContact N-OD1 2.99Å; N322-N345 PolarHBondContact O-OD1 3.29Å; K323-N345 PolarHBondContact N-OD1 2.85Å; L324-N345 HydrophobicContact CB-CB 4.21Å; L324-N345 WeakPolarHBondContact CB-OD1 3.15Å; L324-N345 VanDerWaalsContact CG-OD1 3.24Å; L324-N345 WeakPolarHBondContact CG-OD1 3.38Å; L324-N345 PolarHBondContact N-OD1 3.41Å; V342-N345 PolarHBondContact O-ND2 3.24Å; V342-N345 VanDerWaalsContact O-ND2 3.17Å; R343-N345 VanDerWaalsContact C-N 3.34Å; R343-N345 PolarHBondContact O-N 3Å; R343-N345 PolarHBondContact O-ND2 3.31Å; N345-L347 HydrophobicContact CB-CG 4.29Å; N345-N368 WeakPolarHBondContact CA-OD1 3.29Å; N345-N368 WeakPolarHBondContact CB-OD1 3.14Å; N345-N368 PolarHBondContact O-OD1 2.86Å
346	R	97.3	Very high	96.9	Very high	112 Å²	112	38.8 Å²	38.8	42%	0.423	20%	0.195	S	C	.	.			trans	-119	25.6	-179.2	-57.1	178.3	-177.9	-170	-1.6	111.9	L324 V325 T348 N368	L324-R346 CarbonylContact O-C 2.99Å; L324-R346 WeakPolarHBondContact O-CA 3.21Å; L324-R346 WeakPolarHBondContact O-CB 3.2Å; L324-R346 PolarHBondContact O-N 3.41Å; V325-R346 HydrophobicContact CG2-CB 4.5Å; R346-T348 PolarHBondContact O-N 3.12Å; R346-N368 PolarHBondContact N-OD1 2.72Å
347	L	97.6	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.			trans	-65.2	129.3	-175.6	-60.6	176.5	0	0	0	110.4	L324 L327 V342 N345 I350 N368 R369 L370	L324-L347 HydrophobicContact CB-CD2 3.91Å; L324-L347 PolarHBondContact O-N 3.43Å; L324-L347 VanDerWaalsContact O-N 3.14Å; L327-L347 HydrophobicContact CD1-CD1 4.02Å; L327-L347 HydrophobicContact CD2-CD1 4.19Å; L327-L347 HydrophobicContact CD2-CD2 4.06Å; L327-L347 HydrophobicContact CG-CD1 3.96Å; L327-L347 HydrophobicContact CG-CD2 3.86Å; V342-L347 HydrophobicContact CB-CD1 4.1Å; V342-L347 HydrophobicContact CG2-CD1 3.56Å; N345-L347 HydrophobicContact CB-CG 4.29Å; L347-I350 HydrophobicContact CD1-CD1 4.2Å; L347-N368 HydrophobicContact CB-CB 4.17Å; L347-N368 WeakPolarHBondContact CB-OD1 3.32Å; L347-N368 VanDerWaalsContact CG-OD1 3.25Å; L347-N368 WeakPolarHBondContact CG-OD1 3.11Å; L347-N368 PolarHBondContact N-OD1 3.24Å; L347-R369 CarbonylContact O-C 3.6Å; L347-R369 VanDerWaalsContact O-CA 3.27Å; L347-R369 WeakPolarHBondContact O-CA 3.35Å; L347-R369 WeakPolarHBondContact O-CB 3.38Å; L347-R369 PolarHBondContact O-N 3.04Å; L347-L370 HydrophobicContact CB-CD2 4.11Å; L347-L370 PolarHBondContact O-N 3.22Å
348	T	94.9	Very high	96.6	Very high	63 Å²	63	40.5 Å²	40.5	39%	0.387	20%	0.203	S	C	.	.	S	Bend	trans	-97.2	-20.6	176.7	55.7	0	0	0	0	113	R346	R346-T348 PolarHBondContact O-N 3.12Å
349	R	94.9	Very high	96.5	Very high	164 Å²	164	43.3 Å²	43.3	62%	0.619	21%	0.214	S	C	*	.			trans	-153.6	155.1	179.8	63.8	-176.6	68.8	-162.7	-2.6	110.7
350	I	97.4	Very high	96.5	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.036	21%	0.213	C	C	.	.			trans	-100.1	132.4	165.6	-56.2	-56.8	0	0	0	108	L327 L347 M354 V365 L370 L373 P374 L377	L327-I350 HydrophobicContact CD1-CD1 4.07Å; L347-I350 HydrophobicContact CD1-CD1 4.2Å; I350-M354 HydrophobicContact CG2-CB 4.01Å; I350-M354 HydrophobicContact CG2-CE 4.29Å; I350-M354 HydrophobicContact CG2-CG 4.17Å; I350-V365 HydrophobicContact CD1-CG1 3.81Å; I350-L370 HydrophobicContact CD1-CD1 4.15Å; I350-L370 HydrophobicContact CD1-CD2 3.97Å; I350-L370 HydrophobicContact CG1-CD1 4Å; I350-L370 HydrophobicContact CG1-CD2 3.96Å; I350-L373 HydrophobicContact CG1-CD2 3.94Å; I350-P374 HydrophobicContact CB-CG 4.44Å; I350-P374 WeakPolarHBondContact O-CG 3.27Å; I350-L377 HydrophobicContact CG2-CD1 4.47Å
351	P	96.6	Very high	96.4	Very high	18 Å²	18	45.1 Å²	45.1	12%	0.117	22%	0.222	C	C	.	.			trans	-65.8	141.8	178.3	26.5	-33.7	0	0	0	111.1	L327 I331 E353 M354	L327-P351 HydrophobicContact CB-CG 4.09Å; I331-P351 HydrophobicContact CG2-CG 3.98Å; P351-E353 PolarHBondContact O-N 2.86Å; P351-M354 WeakPolarHBondContact O-CB 3.27Å; P351-M354 PolarHBondContact O-N 2.96Å
352	A	95.8	Very high	96.4	Very high	48 Å²	48	45.4 Å²	45.4	40%	0.397	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.4	-29.2	-178.8	0	0	0	0	0	112.2	M354 S355 P374 S376	A352-M354 PolarHBondContact O-N 3.39Å; A352-S355 WeakPolarHBondContact O-CB 3.05Å; A352-S355 PolarHBondContact O-N 3.25Å; A352-S355 PolarHBondContact O-OG 2.9Å; A352-P374 HydrophobicContact CB-CB 4.27Å; A352-S376 VanDerWaalsContact CA-OG 3.3Å; A352-S376 WeakPolarHBondContact CA-OG 3.27Å; A352-S376 PolarHBondContact O-OG 3.2Å
353	E	97.5	Very high	96.4	Very high	66 Å²	66	45.4 Å²	45.4	31%	0.308	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.1	-16.6	175.7	-64.7	87.5	162	0	0	113.3	K329 G332 P351 S355 Q356	K329-E353 HydrophobicContact CB-CB 4.28Å; K329-E353 HydrophobicContact CB-CG 4.06Å; K329-E353 VanDerWaalsContact O-CB 3.25Å; K329-E353 WeakPolarHBondContact O-CB 3.41Å; G332-E353 WeakPolarHBondContact CA-O 3.49Å; P351-E353 PolarHBondContact O-N 2.86Å; E353-S355 PolarHBondContact O-N 3.27Å; E353-Q356 VanDerWaalsContact O-CB 3.24Å; E353-Q356 WeakPolarHBondContact O-CB 3.2Å; E353-Q356 WeakPolarHBondContact O-CG 3.07Å; E353-Q356 PolarHBondContact O-N 2.9Å
354	M	97.1	Very high	96.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-51.7	-30.8	171	-173.7	63.7	71.2	0	0	112.3	L327 I331 F340 I350 P351 A352 Q356 A357 L360 L377	L327-M354 HydrophobicContact CD1-CE 3.85Å; I331-M354 HydrophobicContact CB-CE 4.39Å; I331-M354 HydrophobicContact CG1-CE 4.01Å; I331-M354 HydrophobicContact CG1-SD 4.4Å; I331-M354 HydrophobicContact CG2-CE 3.44Å; I331-M354 VanDerWaalsContact CG2-CE 3.44Å; I331-M354 HydrophobicContact CG2-SD 4.03Å; F340-M354 HydrophobicContact CD1-CE 3.76Å; F340-M354 HydrophobicContact CD1-SD 4.16Å; F340-M354 HydrophobicContact CE1-CE 3.44Å; F340-M354 VanDerWaalsContact CE1-CE 3.44Å; F340-M354 HydrophobicContact CE1-SD 4.39Å; I350-M354 HydrophobicContact CG2-CB 4.01Å; I350-M354 HydrophobicContact CG2-CE 4.29Å; I350-M354 HydrophobicContact CG2-CG 4.17Å; P351-M354 WeakPolarHBondContact O-CB 3.27Å; P351-M354 PolarHBondContact O-N 2.96Å; A352-M354 PolarHBondContact O-N 3.39Å; M354-Q356 PolarHBondContact O-N 3.17Å; M354-Q356 VanDerWaalsContact O-N 3.08Å; M354-A357 WeakPolarHBondContact O-CB 3.28Å; M354-A357 PolarHBondContact O-N 2.96Å; M354-A357 VanDerWaalsContact O-N 3.08Å; M354-L360 HydrophobicContact CG-CD2 4.22Å; M354-L360 HydrophobicContact SD-CD2 4.06Å; M354-L377 HydrophobicContact CB-CD2 4.04Å; M354-L377 HydrophobicContact CG-CD2 3.88Å
355	S	95	Very high	96.5	Very high	30 Å²	30	41.3 Å²	41.3	21%	0.21	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.3	-13.6	174.7	61.6	0	0	0	0	115.1	A352 E353 S376 L380	A352-S355 WeakPolarHBondContact O-CB 3.05Å; A352-S355 PolarHBondContact O-N 3.25Å; A352-S355 PolarHBondContact O-OG 2.9Å; E353-S355 PolarHBondContact O-N 3.27Å; S355-S376 WeakPolarHBondContact CB-O 3.25Å; S355-L380 WeakPolarHBondContact O-CD2 3.19Å
356	Q	96.4	Very high	96.4	Very high	113 Å²	113	41 Å²	41	53%	0.528	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-82.9	-15.7	176.4	-60.7	173.6	-2.2	0	0	112.9	G332 E353 M354 T358	G332-Q356 CarbonylContact O-C 3.19Å; G332-Q356 VanDerWaalsContact O-C 3.22Å; G332-Q356 VanDerWaalsContact O-CB 3.25Å; G332-Q356 WeakPolarHBondContact O-CB 3.36Å; E353-Q356 VanDerWaalsContact O-CB 3.24Å; E353-Q356 WeakPolarHBondContact O-CB 3.2Å; E353-Q356 WeakPolarHBondContact O-CG 3.07Å; E353-Q356 PolarHBondContact O-N 2.9Å; M354-Q356 PolarHBondContact O-N 3.17Å; M354-Q356 VanDerWaalsContact O-N 3.08Å; Q356-T358 PolarHBondContact O-N 3.03Å
357	A	95.7	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.			trans	-76.7	74.2	169.8	0	0	0	0	0	109.1	G332 M354 E359 L360 L380	G332-A357 PolarHBondContact O-N 2.88Å; M354-A357 WeakPolarHBondContact O-CB 3.28Å; M354-A357 PolarHBondContact O-N 2.96Å; M354-A357 VanDerWaalsContact O-N 3.08Å; A357-E359 PolarHBondContact O-N 3.33Å; A357-E359 VanDerWaalsContact O-N 3.15Å; A357-L360 HydrophobicContact CB-CB 4.33Å; A357-L360 VanDerWaalsContact O-CB 3.22Å; A357-L360 WeakPolarHBondContact O-CB 3.09Å; A357-L360 PolarHBondContact O-N 3.36Å; A357-L380 WeakPolarHBondContact O-CD2 3.23Å
358	T	93.3	Very high	96.2	Very high	85 Å²	85	36.5 Å²	36.5	52%	0.521	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.4	-165.4	52.7	0	0	0	0	114.5	Q356 L360	Q356-T358 PolarHBondContact O-N 3.03Å; T358-L360 VanDerWaalsContact C-N 3.31Å
359	E	96.3	Very high	96.3	Very high	94 Å²	94	38.8 Å²	38.8	44%	0.439	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.4	178.3	-58.8	-50.4	124.8	0	0	113.5	C335 L337 T338 A357 H361	C335-E359 WeakPolarHBondContact O-CG 3.11Å; L337-E359 CarbonylContact O-C 3.58Å; T338-E359 WeakPolarHBondContact CA-O 3.34Å; T338-E359 HydrophobicContact CG2-CB 4.45Å; A357-E359 PolarHBondContact O-N 3.33Å; A357-E359 VanDerWaalsContact O-N 3.15Å; E359-H361 PolarHBondContact O-CD2 2.95Å; E359-H361 PolarHBondContact O-N 3.29Å; E359-H361 VanDerWaalsContact O-N 3.16Å; E359-H361 PolarHBondContact O-ND1 2.87Å
360	L	97.5	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.			trans	-66.6	119.1	-179.4	-170	65.8	0	0	0	110.5	L337 F340 M354 A357 T358 V362 L363 L380 L382	L337-L360 HydrophobicContact CD2-CD1 4.3Å; L337-L360 HydrophobicContact CG-CD1 4.09Å; L337-L360 WeakPolarHBondContact O-CA 3.35Å; L337-L360 PolarHBondContact O-N 3.25Å; F340-L360 HydrophobicContact CB-CD1 3.79Å; M354-L360 HydrophobicContact CG-CD2 4.22Å; M354-L360 HydrophobicContact SD-CD2 4.06Å; A357-L360 HydrophobicContact CB-CB 4.33Å; A357-L360 VanDerWaalsContact O-CB 3.22Å; A357-L360 WeakPolarHBondContact O-CB 3.09Å; A357-L360 PolarHBondContact O-N 3.36Å; T358-L360 VanDerWaalsContact C-N 3.31Å; L360-V362 WeakPolarHBondContact CD1-O 3.22Å; L360-L363 HydrophobicContact CD2-CB 4.23Å; L360-L363 HydrophobicContact CD2-CD2 4.47Å; L360-L380 HydrophobicContact CB-CD1 4.28Å; L360-L380 HydrophobicContact CD2-CD1 3.99Å; L360-L382 HydrophobicContact CB-CD2 4.44Å; L360-L382 HydrophobicContact CD2-CD2 4.23Å; L360-L382 HydrophobicContact CG-CD2 3.93Å; L360-L382 WeakPolarHBondContact O-CD2 3.28Å
361	H	96.4	Very high	96.2	Very high	40 Å²	40	35.9 Å²	35.9	19%	0.185	19%	0.191	C	C	.	.			trans	-111.6	-35.4	-178.4	-67	-31.2	0	0	0	112.3	T338 E359 K383 A384 F460	T338-H361 PolarHBondContact O-N 3.38Å; E359-H361 PolarHBondContact O-CD2 2.95Å; E359-H361 PolarHBondContact O-N 3.29Å; E359-H361 VanDerWaalsContact O-N 3.16Å; E359-H361 PolarHBondContact O-ND1 2.87Å; H361-K383 HydrophobicContact CB-CD 4.27Å; H361-K383 HydrophobicContact CB-CG 4.31Å; H361-K383 PolarHBondContact O-N 3.02Å; H361-A384 PolarHBondContact O-N 2.96Å; H361-F460 HydrophobicContact CB-CZ 4.41Å
362	V	97.4	Very high	96.1	Very high	8 Å²	8	37 Å²	37	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.4	-179.3	178.6	0	0	0	0	108.6	T338 V339 F340 L360 A384 I458 F460	T338-V362 PolarHBondContact O-N 3Å; V339-V362 HydrophobicContact CG1-CB 4.36Å; V339-V362 HydrophobicContact CG1-CG1 4.41Å; V339-V362 HydrophobicContact CG2-CB 4.39Å; F340-V362 PolarHBondContact N-O 3.3Å; L360-V362 WeakPolarHBondContact CD1-O 3.22Å; V362-A384 WeakPolarHBondContact CA-O 3.41Å; V362-A384 HydrophobicContact CG1-CB 4.34Å; V362-A384 HydrophobicContact CG2-CB 4.21Å; V362-I458 HydrophobicContact CG1-CD1 4.03Å; V362-F460 HydrophobicContact CG2-CZ 3.79Å
363	L	97.7	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.8	171.8	177.7	58.1	0	0	0	109	F340 L360 V365 L382 A384 L385 W386	F340-L363 HydrophobicContact CB-CD1 4.2Å; F340-L363 HydrophobicContact CD1-CD1 3.66Å; F340-L363 HydrophobicContact CE1-CD1 4.45Å; F340-L363 HydrophobicContact CG-CD1 4.26Å; F340-L363 WeakPolarHBondContact O-CA 3.12Å; L360-L363 HydrophobicContact CD2-CB 4.23Å; L360-L363 HydrophobicContact CD2-CD2 4.47Å; L363-V365 HydrophobicContact CD1-CG1 3.72Å; L363-V365 HydrophobicContact CD2-CG1 4.35Å; L363-V365 HydrophobicContact CG-CG1 3.87Å; L363-L382 HydrophobicContact CB-CD2 4.19Å; L363-A384 PolarHBondContact N-O 2.71Å; L363-A384 VanDerWaalsContact N-O 3.07Å; L363-L385 HydrophobicContact CB-CD1 3.95Å; L363-L385 HydrophobicContact CD2-CD1 3.88Å; L363-L385 HydrophobicContact CG-CD1 3.86Å; L363-L385 CarbonylContact O-C 3.48Å; L363-L385 VanDerWaalsContact O-CA 3.3Å; L363-L385 WeakPolarHBondContact O-CA 3.39Å; L363-W386 PolarHBondContact O-N 3.1Å
364	D	97	Very high	96.1	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.3	172.8	-165.2	-20.7	0	0	0	110.2	F340 C341 V342 A366 W386	F340-D364 PolarHBondContact O-N 3.27Å; C341-D364 HydrophobicContact CB-CB 4.33Å; V342-D364 WeakPolarHBondContact CG2-O 3.35Å; V342-D364 PolarHBondContact N-O 3.49Å; D364-A366 VanDerWaalsContact OD1-CB 3.31Å; D364-A366 WeakPolarHBondContact OD1-CB 3.28Å; D364-A366 PolarHBondContact OD1-N 3.41Å; D364-W386 HydrophobicContact CB-CB 4.17Å; D364-W386 WeakPolarHBondContact OD1-CB 3.23Å
365	V	97	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.			trans	-125.7	21.9	178.2	-62.3	0	0	0	0	110.6	V342 I350 L363 N368 L370 L385 W386 L387 Q418	V342-V365 HydrophobicContact CG2-CB 4.3Å; V342-V365 HydrophobicContact CG2-CG1 3.61Å; I350-V365 HydrophobicContact CD1-CG1 3.81Å; L363-V365 HydrophobicContact CD1-CG1 3.72Å; L363-V365 HydrophobicContact CD2-CG1 4.35Å; L363-V365 HydrophobicContact CG-CG1 3.87Å; V365-N368 PolarHBondContact O-ND2 3.23Å; V365-L370 HydrophobicContact CB-CD1 3.9Å; V365-L370 HydrophobicContact CG2-CD1 3.62Å; V365-L385 HydrophobicContact CG2-CD1 4.31Å; V365-W386 CarbonylContact C-O 3.58Å; V365-W386 WeakPolarHBondContact CG2-O 3.46Å; V365-W386 PolarHBondContact N-O 3.11Å; V365-L387 HydrophobicContact CG2-CD2 3.44Å; V365-L387 VanDerWaalsContact CG2-CD2 3.44Å; V365-Q418 PolarHBondContact O-NE2 2.91Å
366	A	95.9	Very high	96.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	154.2	177.7	0	0	0	0	0	111.7	R343 D344 D364 N368 W386	R343-A366 CarbonylContact C-O 3.53Å; R343-A366 WeakPolarHBondContact CA-O 3.34Å; R343-A366 HydrophobicContact CG-CB 4.09Å; R343-A366 WeakPolarHBondContact CG-O 3.21Å; D344-A366 PolarHBondContact N-O 2.7Å; D364-A366 VanDerWaalsContact OD1-CB 3.31Å; D364-A366 WeakPolarHBondContact OD1-CB 3.28Å; D364-A366 PolarHBondContact OD1-N 3.41Å; A366-N368 VanDerWaalsContact C-N 3.27Å; A366-N368 PolarHBondContact O-N 3.24Å; A366-N368 PolarHBondContact O-ND2 3.08Å; A366-W386 PolarHBondContact N-O 3.17Å
367	G	94.8	Very high	96	Very high	17 Å²	17	30.2 Å²	30.2	18%	0.175	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	22.9	177.2	0	0	0	0	0	115.5	D344	D344-G367 WeakPolarHBondContact CA-O 3.37Å
368	N	96.8	Very high	95.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	-99.3	-162.1	174.7	-82	-80	0	0	0	111.9	V342 N345 R346 L347 V365 A366 L370 Q418	V342-N368 PolarHBondContact O-ND2 3.26Å; N345-N368 WeakPolarHBondContact CA-OD1 3.29Å; N345-N368 WeakPolarHBondContact CB-OD1 3.14Å; N345-N368 PolarHBondContact O-OD1 2.86Å; R346-N368 PolarHBondContact N-OD1 2.72Å; L347-N368 HydrophobicContact CB-CB 4.17Å; L347-N368 WeakPolarHBondContact CB-OD1 3.32Å; L347-N368 VanDerWaalsContact CG-OD1 3.25Å; L347-N368 WeakPolarHBondContact CG-OD1 3.11Å; L347-N368 PolarHBondContact N-OD1 3.24Å; V365-N368 PolarHBondContact O-ND2 3.23Å; A366-N368 VanDerWaalsContact C-N 3.27Å; A366-N368 PolarHBondContact O-N 3.24Å; A366-N368 PolarHBondContact O-ND2 3.08Å; N368-L370 HydrophobicContact CB-CG 4.17Å; N368-Q418 WeakPolarHBondContact O-CB 3.08Å
369	R	96.1	Very high	96	Very high	111 Å²	111	34.3 Å²	34.3	42%	0.419	19%	0.191	S	C	.	.			trans	-125.1	33.7	-179.2	-56.5	176.6	-175.9	-173.9	-4.1	111	L347 L371	L347-R369 CarbonylContact O-C 3.6Å; L347-R369 VanDerWaalsContact O-CA 3.27Å; L347-R369 WeakPolarHBondContact O-CA 3.35Å; L347-R369 WeakPolarHBondContact O-CB 3.38Å; L347-R369 PolarHBondContact O-N 3.04Å; R369-L371 PolarHBondContact O-N 2.84Å
370	L	96	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.174	C	C	.	.			trans	-68.4	125.5	-176.3	-61.2	176.9	0	0	0	110.5	L347 I350 V365 N368 L373 L416 P417 Q418	L347-L370 HydrophobicContact CB-CD2 4.11Å; L347-L370 PolarHBondContact O-N 3.22Å; I350-L370 HydrophobicContact CD1-CD1 4.15Å; I350-L370 HydrophobicContact CD1-CD2 3.97Å; I350-L370 HydrophobicContact CG1-CD1 4Å; I350-L370 HydrophobicContact CG1-CD2 3.96Å; V365-L370 HydrophobicContact CB-CD1 3.9Å; V365-L370 HydrophobicContact CG2-CD1 3.62Å; N368-L370 HydrophobicContact CB-CG 4.17Å; L370-L373 HydrophobicContact CD1-CD2 3.95Å; L370-L416 HydrophobicContact CB-CD2 3.95Å; L370-L416 WeakPolarHBondContact O-CD2 3.35Å; L370-P417 CarbonylContact O-C 3.22Å; L370-P417 WeakPolarHBondContact O-CA 3.28Å; L370-Q418 HydrophobicContact CB-CG 4.42Å; L370-Q418 VanDerWaalsContact CG-OE1 3.26Å; L370-Q418 VanDerWaalsContact N-OE1 3.14Å; L370-Q418 PolarHBondContact O-N 3.39Å
371	L	93.6	Very high	95.7	Very high	111 Å²	111	39.2 Å²	39.2	58%	0.581	21%	0.211	S	C	*	.	S	Bend	trans	-79.3	-39.7	174.1	-63.5	178.9	0	0	0	111.8	R369 P417	R369-L371 PolarHBondContact O-N 2.84Å; L371-P417 HydrophobicContact CD2-CB 3.77Å
372	H	95.1	Very high	95.6	Very high	42 Å²	42	38.5 Å²	38.5	19%	0.194	21%	0.209	C	C	.	.			trans	-156.3	173.7	-179.2	57	67.7	0	0	0	109.5	D403 I410	H372-D403 IonicContact CD2-OD2 2.76Å; H372-D403 IonicContact CE1-OD2 3.23Å; H372-D403 IonicContact NE2-OD2 3.78Å; H372-D403 PolarHBondContact NE2-OD2 2.92Å; H372-I410 HydrophobicContact CB-CB 4.12Å; H372-I410 HydrophobicContact CB-CD1 3.68Å; H372-I410 HydrophobicContact CB-CG1 4.44Å
373	L	96.8	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.9	173.2	-66.9	175.8	0	0	0	110.1	I350 L370 L377 L385 L387 F398 L411 L416	I350-L373 HydrophobicContact CG1-CD2 3.94Å; L370-L373 HydrophobicContact CD1-CD2 3.95Å; L373-L377 HydrophobicContact CB-CD1 4.12Å; L373-L377 HydrophobicContact CD1-CD1 4.33Å; L373-L377 HydrophobicContact CD2-CD1 4.07Å; L373-L377 HydrophobicContact CG-CD1 4.41Å; L373-L385 HydrophobicContact CD1-CD2 3.85Å; L373-L387 HydrophobicContact CD1-CD1 4.46Å; L373-L387 HydrophobicContact CD1-CD2 4.26Å; L373-F398 HydrophobicContact CD1-CD1 4.48Å; L373-F398 HydrophobicContact CD1-CE1 3.68Å; L373-F398 HydrophobicContact CD1-CZ 3.96Å; L373-L411 HydrophobicContact CB-CB 4.04Å; L373-L411 PolarHBondContact N-O 2.88Å; L373-L411 PolarHBondContact O-N 3.42Å; L373-L416 HydrophobicContact CD1-CD1 4.32Å; L373-L416 HydrophobicContact CG-CD1 4.03Å
374	P	96.3	Very high	95.4	Very high	20 Å²	20	44.4 Å²	44.4	13%	0.13	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	142.1	177.3	28.5	-32.4	0	0	0	111.2	I350 A352 S376 L377 L411	I350-P374 HydrophobicContact CB-CG 4.44Å; I350-P374 WeakPolarHBondContact O-CG 3.27Å; A352-P374 HydrophobicContact CB-CB 4.27Å; P374-S376 PolarHBondContact O-N 3.08Å; P374-S376 VanDerWaalsContact O-N 3.09Å; P374-L377 HydrophobicContact CG-CD1 4.32Å; P374-L377 HydrophobicContact CG-CG 4.05Å; P374-L377 PolarHBondContact O-N 3.46Å; P374-L377 VanDerWaalsContact O-N 3.13Å; P374-L411 WeakPolarHBondContact O-CD1 3.19Å
375	L	95.9	Very high	95.3	Very high	52 Å²	52	44.1 Å²	44.1	27%	0.272	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-56.3	-29	178.6	-178.3	64.3	0	0	0	112.9	L377 T378 T400 K409 L411	L375-L377 PolarHBondContact O-N 2.89Å; L375-L377 VanDerWaalsContact O-N 3.13Å; L375-T378 HydrophobicContact CD1-CG2 4.24Å; L375-T378 WeakPolarHBondContact O-CB 3.25Å; L375-T378 PolarHBondContact O-N 3.07Å; L375-T378 PolarHBondContact O-OG1 2.8Å; L375-T400 HydrophobicContact CD1-CG2 4.24Å; L375-K409 HydrophobicContact CB-CB 4.22Å; L375-K409 VanDerWaalsContact CB-O 3.32Å; L375-K409 WeakPolarHBondContact CB-O 3.34Å; L375-K409 HydrophobicContact CD2-CB 3.59Å; L375-K409 HydrophobicContact CD2-CD 3.79Å; L375-K409 HydrophobicContact CD2-CG 4.35Å; L375-K409 HydrophobicContact CG-CB 4.47Å; L375-L411 HydrophobicContact CD1-CD2 3.73Å; L375-L411 HydrophobicContact CD1-CG 4.22Å
376	S	95.9	Very high	95.3	Very high	34 Å²	34	47.2 Å²	47.2	24%	0.238	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.7	179.6	61.4	0	0	0	0	114	A352 S355 P374 T378 A379	A352-S376 VanDerWaalsContact CA-OG 3.3Å; A352-S376 WeakPolarHBondContact CA-OG 3.27Å; A352-S376 PolarHBondContact O-OG 3.2Å; S355-S376 WeakPolarHBondContact CB-O 3.25Å; P374-S376 PolarHBondContact O-N 3.08Å; P374-S376 VanDerWaalsContact O-N 3.09Å; S376-T378 PolarHBondContact O-N 3.38Å; S376-A379 VanDerWaalsContact O-CB 3.26Å; S376-A379 WeakPolarHBondContact O-CB 2.99Å; S376-A379 PolarHBondContact O-N 3.12Å
377	L	95.5	Very high	95.2	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22	175.2	-70	-179	0	0	0	113.2	I350 M354 L373 P374 L375 A379 L380 L411	I350-L377 HydrophobicContact CG2-CD1 4.47Å; M354-L377 HydrophobicContact CB-CD2 4.04Å; M354-L377 HydrophobicContact CG-CD2 3.88Å; L373-L377 HydrophobicContact CB-CD1 4.12Å; L373-L377 HydrophobicContact CD1-CD1 4.33Å; L373-L377 HydrophobicContact CD2-CD1 4.07Å; L373-L377 HydrophobicContact CG-CD1 4.41Å; P374-L377 HydrophobicContact CG-CD1 4.32Å; P374-L377 HydrophobicContact CG-CG 4.05Å; P374-L377 PolarHBondContact O-N 3.46Å; P374-L377 VanDerWaalsContact O-N 3.13Å; L375-L377 PolarHBondContact O-N 2.89Å; L375-L377 VanDerWaalsContact O-N 3.13Å; L377-A379 PolarHBondContact O-N 2.84Å; L377-L380 HydrophobicContact CD2-CD1 3.89Å; L377-L380 WeakPolarHBondContact O-CB 3.41Å; L377-L380 PolarHBondContact O-N 3.01Å; L377-L380 VanDerWaalsContact O-N 3.08Å; L377-L411 HydrophobicContact CB-CD1 4.45Å
378	T	93.8	Very high	95.1	Very high	94 Å²	94	48.6 Å²	48.6	58%	0.577	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-65	-15.9	173.6	56.2	0	0	0	0	113.5	L375 S376 L380 L411	L375-T378 HydrophobicContact CD1-CG2 4.24Å; L375-T378 WeakPolarHBondContact O-CB 3.25Å; L375-T378 PolarHBondContact O-N 3.07Å; L375-T378 PolarHBondContact O-OG1 2.8Å; S376-T378 PolarHBondContact O-N 3.38Å; T378-L380 VanDerWaalsContact C-N 3.27Å; T378-L411 HydrophobicContact CG2-CD1 3.82Å; T378-L411 HydrophobicContact CG2-CD2 3.99Å; T378-L411 HydrophobicContact CG2-CG 4.49Å
379	A	94.8	Very high	94.5	Very high	77 Å²	77	52 Å²	52	64%	0.636	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-73.1	-21.2	173.8	0	0	0	0	0	112.6	S376 L377	S376-A379 VanDerWaalsContact O-CB 3.26Å; S376-A379 WeakPolarHBondContact O-CB 2.99Å; S376-A379 PolarHBondContact O-N 3.12Å; L377-A379 PolarHBondContact O-N 2.84Å
380	L	94.6	Very high	93.9	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.084	29%	0.29	C	S	.	.	S	Bend	trans	-84	143.5	179.9	-62.4	176.3	0	0	0	111.2	S355 A357 L360 L377 T378 L382	S355-L380 WeakPolarHBondContact O-CD2 3.19Å; A357-L380 WeakPolarHBondContact O-CD2 3.23Å; L360-L380 HydrophobicContact CB-CD1 4.28Å; L360-L380 HydrophobicContact CD2-CD1 3.99Å; L377-L380 HydrophobicContact CD2-CD1 3.89Å; L377-L380 WeakPolarHBondContact O-CB 3.41Å; L377-L380 PolarHBondContact O-N 3.01Å; L377-L380 VanDerWaalsContact O-N 3.08Å; T378-L380 VanDerWaalsContact C-N 3.27Å; L380-L382 HydrophobicContact CB-CD2 4.49Å; L380-L382 HydrophobicContact CB-CG 4Å; L380-L382 PolarHBondContact O-N 2.99Å
381	K	92.3	Very high	93.5	Very high	181 Å²	181	55.2 Å²	55.2	79%	0.787	30%	0.295	S	S	*	.			trans	-90.2	58.8	173.6	-64	179.4	-176.3	171.7	0	110.5	K383	K381-K383 PolarHBondContact O-N 3.05Å
382	L	94.7	Very high	93	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	31%	0.306	C	S	.	.			trans	-61.2	132	179.1	-67.1	171.1	0	0	0	110.1	L360 L363 L380 L385 L395	L360-L382 HydrophobicContact CB-CD2 4.44Å; L360-L382 HydrophobicContact CD2-CD2 4.23Å; L360-L382 HydrophobicContact CG-CD2 3.93Å; L360-L382 WeakPolarHBondContact O-CD2 3.28Å; L363-L382 HydrophobicContact CB-CD2 4.19Å; L380-L382 HydrophobicContact CB-CD2 4.49Å; L380-L382 HydrophobicContact CB-CG 4Å; L380-L382 PolarHBondContact O-N 2.99Å; L382-L385 HydrophobicContact CD1-CB 4.25Å; L382-L385 HydrophobicContact CD1-CD2 4.28Å; L382-L395 HydrophobicContact CB-CD2 4.09Å; L382-L395 WeakPolarHBondContact O-CD1 3.24Å
383	K	95	Very high	92.7	Very high	123 Å²	123	59.4 Å²	59.4	54%	0.535	33%	0.325	S	S	.	.	S	Bend	trans	-87.5	-29.5	168.2	-63.5	-179.8	-176	170.6	0	110.9	H361 K381 L395	H361-K383 HydrophobicContact CB-CD 4.27Å; H361-K383 HydrophobicContact CB-CG 4.31Å; H361-K383 PolarHBondContact O-N 3.02Å; K381-K383 PolarHBondContact O-N 3.05Å; K383-L395 WeakPolarHBondContact O-CD1 3.12Å; K383-L395 WeakPolarHBondContact O-CG 3.32Å
384	A	95.2	Very high	92.2	Very high	8 Å²	8	62.4 Å²	62.4	7%	0.066	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.1	173.9	0	0	0	0	0	111.8	H361 V362 L363 P394	H361-A384 PolarHBondContact O-N 2.96Å; V362-A384 WeakPolarHBondContact CA-O 3.41Å; V362-A384 HydrophobicContact CG1-CB 4.34Å; V362-A384 HydrophobicContact CG2-CB 4.21Å; L363-A384 PolarHBondContact N-O 2.71Å; L363-A384 VanDerWaalsContact N-O 3.07Å; A384-P394 CarbonylContact C-O 3.55Å; A384-P394 VanDerWaalsContact CA-O 3.3Å; A384-P394 WeakPolarHBondContact CA-O 3.31Å; A384-P394 HydrophobicContact CB-CB 3.69Å
385	L	96.3	Very high	91.7	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	106.2	171.1	175.1	54.7	0	0	0	108.3	L363 V365 L373 L382 L387 Q391 P394 L395 F398	L363-L385 HydrophobicContact CB-CD1 3.95Å; L363-L385 HydrophobicContact CD2-CD1 3.88Å; L363-L385 HydrophobicContact CG-CD1 3.86Å; L363-L385 CarbonylContact O-C 3.48Å; L363-L385 VanDerWaalsContact O-CA 3.3Å; L363-L385 WeakPolarHBondContact O-CA 3.39Å; V365-L385 HydrophobicContact CG2-CD1 4.31Å; L373-L385 HydrophobicContact CD1-CD2 3.85Å; L382-L385 HydrophobicContact CD1-CB 4.25Å; L382-L385 HydrophobicContact CD1-CD2 4.28Å; L385-L387 HydrophobicContact CD1-CD2 4.43Å; L385-Q391 PolarHBondContact O-NE2 3.07Å; L385-P394 CarbonylContact C-O 3.04Å; L385-P394 PolarHBondContact N-O 3.24Å; L385-L395 HydrophobicContact CB-CD2 4.12Å; L385-F398 HydrophobicContact CD2-CE2 3.78Å; L385-F398 HydrophobicContact CD2-CZ 3.47Å; L385-F398 VanDerWaalsContact CD2-CZ 3.47Å; L385-F398 HydrophobicContact CG-CZ 4.37Å
386	W	95.9	Very high	91.3	Very high	66 Å²	66	64.5 Å²	64.5	25%	0.25	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.7	-178.5	-58.6	109.1	0	0	0	110.4	L363 D364 V365 A366 Q391 P394	L363-W386 PolarHBondContact O-N 3.1Å; D364-W386 HydrophobicContact CB-CB 4.17Å; D364-W386 WeakPolarHBondContact OD1-CB 3.23Å; V365-W386 CarbonylContact C-O 3.58Å; V365-W386 WeakPolarHBondContact CG2-O 3.46Å; V365-W386 PolarHBondContact N-O 3.11Å; A366-W386 PolarHBondContact N-O 3.17Å; W386-Q391 HydrophobicContact CE3-CB 3.87Å; W386-Q391 HydrophobicContact CE3-CG 4.01Å; W386-Q391 HydrophobicContact CZ3-CB 3.94Å; W386-Q391 HydrophobicContact CZ3-CG 4.02Å; W386-Q391 WeakPolarHBondContact CZ3-O 3.2Å; W386-P394 HydrophobicContact CH2-CB 4.1Å; W386-P394 HydrophobicContact CZ2-CB 3.9Å
387	L	95	Very high	90.9	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.021	38%	0.382	C	S	.	.	S	Bend	trans	-109.1	-14.9	176.1	-65.8	-176.9	0	0	0	112.8	V365 L373 L385 L396 F398 L415 L416 Q418	V365-L387 HydrophobicContact CG2-CD2 3.44Å; V365-L387 VanDerWaalsContact CG2-CD2 3.44Å; L373-L387 HydrophobicContact CD1-CD1 4.46Å; L373-L387 HydrophobicContact CD1-CD2 4.26Å; L385-L387 HydrophobicContact CD1-CD2 4.43Å; L387-L396 HydrophobicContact CD1-CD1 3.87Å; L387-L396 HydrophobicContact CG-CD1 4.33Å; L387-F398 HydrophobicContact CD1-CE1 4.01Å; L387-F398 HydrophobicContact CD1-CZ 4.21Å; L387-L415 HydrophobicContact CB-CB 4.19Å; L387-L415 HydrophobicContact CB-CD1 4.09Å; L387-L415 HydrophobicContact CD1-CB 4.34Å; L387-L416 HydrophobicContact CD1-CD1 4.1Å; L387-L416 HydrophobicContact CD1-CG 4.14Å; L387-Q418 PolarHBondContact O-NE2 2.75Å
388	S	91.3	Very high	90.7	Very high	43 Å²	43	71.6 Å²	71.6	30%	0.301	39%	0.391	S	S	.	.	S	Bend	trans	-153.8	148.3	-178.5	-178.3	0	0	0	0	111.5	N390 Q391	S388-N390 VanDerWaalsContact C-N 3.26Å; S388-N390 PolarHBondContact O-N 2.79Å; S388-Q391 WeakPolarHBondContact O-CB 3.25Å; S388-Q391 PolarHBondContact O-N 3.14Å
389	D	84.3	Confident	90.7	Very high	73 Å²	73	73.9 Å²	73.9	39%	0.39	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-31	-179.1	-62	-2	0	0	0	114.3	R343	R343-D389 IonicContact CZ-OD1 3.9Å; R343-D389 IonicContact CZ-OD2 3.26Å; R343-D389 IonicContact NE-OD1 2.63Å; R343-D389 PolarHBondContact NE-OD1 3.46Å; R343-D389 IonicContact NE-OD2 2.69Å; R343-D389 IonicContact NH1-OD1 3.28Å; R343-D389 IonicContact NH2-OD1 2.69Å; R343-D389 PolarHBondContact NH2-OD1 3.02Å; R343-D389 IonicContact NH2-OD2 2.92Å; R343-D389 PolarHBondContact NH2-OD2 2.96Å
390	N	82.9	Confident	90.7	Very high	156 Å²	156	74.4 Å²	74.4	83%	0.834	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	20.1	-176.6	-66.9	-42.5	0	0	0	112.2	S388 S392	S388-N390 VanDerWaalsContact C-N 3.26Å; S388-N390 PolarHBondContact O-N 2.79Å; N390-S392 PolarHBondContact O-N 2.84Å
391	Q	87.8	Confident	90.7	Very high	22 Å²	22	78 Å²	78	10%	0.103	41%	0.41	C	S	.	.			trans	-69.2	128.1	177.7	-175.5	177.5	-50.4	0	0	110.1	L385 W386 S388 Q393 L396 L415	L385-Q391 PolarHBondContact O-NE2 3.07Å; W386-Q391 HydrophobicContact CE3-CB 3.87Å; W386-Q391 HydrophobicContact CE3-CG 4.01Å; W386-Q391 HydrophobicContact CZ3-CB 3.94Å; W386-Q391 HydrophobicContact CZ3-CG 4.02Å; W386-Q391 WeakPolarHBondContact CZ3-O 3.2Å; S388-Q391 WeakPolarHBondContact O-CB 3.25Å; S388-Q391 PolarHBondContact O-N 3.14Å; Q391-Q393 VanDerWaalsContact CG-O 3.27Å; Q391-Q393 WeakPolarHBondContact CG-O 3.41Å; Q391-Q393 PolarHBondContact NE2-O 3.07Å; Q391-L396 HydrophobicContact CG-CD2 4.38Å; Q391-L415 HydrophobicContact CG-CD1 4.36Å
392	S	83.9	Confident	90.7	Very high	115 Å²	115	73 Å²	73	80%	0.804	40%	0.395	S	S	*	.	S	Bend	trans	-85.2	-19.3	-173.5	57.1	0	0	0	0	114.6	N390	N390-S392 PolarHBondContact O-N 2.84Å
393	Q	88.7	Confident	90.5	Very high	126 Å²	126	72.7 Å²	72.7	59%	0.589	39%	0.394	S	S	*	.	S	Bend	trans	-129.6	144	-178.8	-66.4	-173.9	-5	0	0	110.5	Q391 L395	Q391-Q393 VanDerWaalsContact CG-O 3.27Å; Q391-Q393 WeakPolarHBondContact CG-O 3.41Å; Q391-Q393 PolarHBondContact NE2-O 3.07Å; Q393-L395 VanDerWaalsContact C-N 3.29Å; Q393-L395 PolarHBondContact O-N 3.26Å
394	P	85.4	Confident	90	Very high	62 Å²	62	77.3 Å²	77.3	40%	0.403	41%	0.409	S	S	.	.	S	Bend	trans	-68	-24.4	-177.2	26.6	-34.6	0	0	0	113.6	A384 L385 W386	A384-P394 CarbonylContact C-O 3.55Å; A384-P394 VanDerWaalsContact CA-O 3.3Å; A384-P394 WeakPolarHBondContact CA-O 3.31Å; A384-P394 HydrophobicContact CB-CB 3.69Å; L385-P394 CarbonylContact C-O 3.04Å; L385-P394 PolarHBondContact N-O 3.24Å; W386-P394 HydrophobicContact CH2-CB 4.1Å; W386-P394 HydrophobicContact CZ2-CB 3.9Å
395	L	87.6	Confident	89.6	Confident	72 Å²	72	81.6 Å²	81.6	38%	0.377	44%	0.435	S	S	.	.	S	Bend	trans	-128.2	139	177.7	-71.8	167.2	0	0	0	110.8	L382 K383 L385 Q393	L382-L395 HydrophobicContact CB-CD2 4.09Å; L382-L395 WeakPolarHBondContact O-CD1 3.24Å; K383-L395 WeakPolarHBondContact O-CD1 3.12Å; K383-L395 WeakPolarHBondContact O-CG 3.32Å; L385-L395 HydrophobicContact CB-CD2 4.12Å; Q393-L395 VanDerWaalsContact C-N 3.29Å; Q393-L395 PolarHBondContact O-N 3.26Å
396	L	85.9	Confident	89.2	Confident	45 Å²	45	84.8 Å²	84.8	24%	0.236	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-103.7	160	178.1	-64.1	164.2	0	0	0	111	L387 Q391 F398 L415	L387-L396 HydrophobicContact CD1-CD1 3.87Å; L387-L396 HydrophobicContact CG-CD1 4.33Å; Q391-L396 HydrophobicContact CG-CD2 4.38Å; L396-F398 HydrophobicContact CB-CE2 4.17Å; L396-F398 HydrophobicContact CB-CZ 4.11Å; L396-F398 WeakPolarHBondContact O-CD2 3.4Å; L396-L415 HydrophobicContact CD1-CD1 3.6Å; L396-L415 HydrophobicContact CD1-CG 4.31Å; L396-L415 HydrophobicContact CD2-CD1 4.47Å
397	T	87.4	Confident	88.9	Confident	136 Å²	136	84.2 Å²	84.2	83%	0.834	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-85.8	124	167.4	-55.1	0	0	0	0	109.2
398	F	92.6	Very high	88.7	Confident	53 Å²	53	90.2 Å²	90.2	23%	0.232	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-102.2	148.5	-179.8	-67.2	-80.6	0	0	0	112.2	L373 L385 L387 L396 L411 C413	L373-F398 HydrophobicContact CD1-CD1 4.48Å; L373-F398 HydrophobicContact CD1-CE1 3.68Å; L373-F398 HydrophobicContact CD1-CZ 3.96Å; L385-F398 HydrophobicContact CD2-CE2 3.78Å; L385-F398 HydrophobicContact CD2-CZ 3.47Å; L385-F398 VanDerWaalsContact CD2-CZ 3.47Å; L385-F398 HydrophobicContact CG-CZ 4.37Å; L387-F398 HydrophobicContact CD1-CE1 4.01Å; L387-F398 HydrophobicContact CD1-CZ 4.21Å; L396-F398 HydrophobicContact CB-CE2 4.17Å; L396-F398 HydrophobicContact CB-CZ 4.11Å; L396-F398 WeakPolarHBondContact O-CD2 3.4Å; F398-L411 HydrophobicContact CB-CB 4.32Å; F398-L411 HydrophobicContact CB-CD2 4.02Å; F398-L411 HydrophobicContact CD1-CB 4.19Å; F398-L411 HydrophobicContact CG-CB 4.43Å; F398-C413 HydrophobicContact CD1-CB 3.95Å; F398-C413 HydrophobicContact CE1-CB 4.11Å
399	Q	93.8	Very high	88.8	Confident	143 Å²	143	94.6 Å²	94.6	67%	0.668	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.3	169.6	-63	178.8	6	0	0	109.6	L411 T412	Q399-L411 WeakPolarHBondContact O-CA 3.03Å; Q399-T412 HydrophobicContact CB-CG2 4.25Å; Q399-T412 PolarHBondContact N-O 2.87Å; Q399-T412 PolarHBondContact O-N 3.27Å
400	T	94.8	Very high	89.4	Confident	88 Å²	88	91.9 Å²	91.9	54%	0.54	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.4	173.3	-52.2	0	0	0	0	110	L375 K409 I410	L375-T400 HydrophobicContact CD1-CG2 4.24Å; T400-K409 HydrophobicContact CG2-CB 4.31Å; T400-K409 HydrophobicContact CG2-CD 4.4Å; T400-I410 WeakPolarHBondContact CA-O 3.36Å
401	D	93.3	Very high	90	Very high	91 Å²	91	84.8 Å²	84.8	49%	0.487	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	178.9	174	-158.6	-2.4	0	0	0	110.1	K409 I410 T412	D401-K409 CarbonylContact O-C 3.13Å; D401-K409 WeakPolarHBondContact O-CA 3.26Å; D401-I410 HydrophobicContact CB-CD1 4.34Å; D401-I410 HydrophobicContact CB-CG1 4.04Å; D401-I410 PolarHBondContact N-O 3.2Å; D401-I410 WeakPolarHBondContact O-CG1 3.23Å; D401-I410 PolarHBondContact O-N 2.87Å; D401-T412 HydrophobicContact CB-CG2 4.35Å
402	T	92.7	Very high	90.3	Very high	77 Å²	77	85.4 Å²	85.4	47%	0.472	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.3	175	-52.9	0	0	0	0	109.7	Y404 E408	T402-Y404 PolarHBondContact O-N 2.96Å; T402-E408 CarbonylContact C-O 3.53Å; T402-E408 WeakPolarHBondContact CA-O 3.49Å
403	D	89.8	Confident	90.8	Very high	19 Å²	19	80.8 Å²	80.8	10%	0.102	43%	0.431	C	S	.	.			trans	-64.7	118.1	172.5	-174.8	-25.1	0	0	0	108.9	H372 T405 T406 G407 E408 I410	H372-D403 IonicContact CD2-OD2 2.76Å; H372-D403 IonicContact CE1-OD2 3.23Å; H372-D403 IonicContact NE2-OD2 3.78Å; H372-D403 PolarHBondContact NE2-OD2 2.92Å; D403-T405 PolarHBondContact O-N 3.02Å; D403-T405 WeakPolarHBondContact OD1-CB 3.39Å; D403-T405 PolarHBondContact OD1-N 3.19Å; D403-T405 PolarHBondContact OD1-OG1 2.86Å; D403-T406 WeakPolarHBondContact CB-OG1 3.43Å; D403-G407 VanDerWaalsContact O-CA 3.23Å; D403-G407 WeakPolarHBondContact O-CA 3.48Å; D403-G407 PolarHBondContact O-N 3.16Å; D403-E408 PolarHBondContact N-O 3.09Å; D403-I410 HydrophobicContact CB-CD1 4.4Å; D403-I410 HydrophobicContact CB-CG2 3.93Å
404	Y	85.9	Confident	90.9	Very high	219 Å²	219	81.4 Å²	81.4	86%	0.859	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.3	-177.1	59.5	-89.2	0	0	0	113.3	T402	T402-Y404 PolarHBondContact O-N 2.96Å
405	T	86.7	Confident	91.2	Very high	98 Å²	98	81 Å²	81	60%	0.601	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-42	178.4	64.1	0	0	0	0	112.7	D403	D403-T405 PolarHBondContact O-N 3.02Å; D403-T405 WeakPolarHBondContact OD1-CB 3.39Å; D403-T405 PolarHBondContact OD1-N 3.19Å; D403-T405 PolarHBondContact OD1-OG1 2.86Å
406	T	88.4	Confident	91.5	Very high	73 Å²	73	78.2 Å²	78.2	45%	0.448	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-20.3	-176.6	63.8	0	0	0	0	113.4	D403 E408	D403-T406 WeakPolarHBondContact CB-OG1 3.43Å; T406-E408 PolarHBondContact O-N 3.03Å; T406-E408 WeakPolarHBondContact OG1-CB 3.34Å; T406-E408 PolarHBondContact OG1-N 2.93Å
407	G	88.9	Confident	91.8	Very high	54 Å²	54	79.6 Å²	79.6	56%	0.557	43%	0.434	S	S	*	.			trans	74.3	6.7	-171.2	0	0	0	0	0	113.9	D403	D403-G407 VanDerWaalsContact O-CA 3.23Å; D403-G407 WeakPolarHBondContact O-CA 3.48Å; D403-G407 PolarHBondContact O-N 3.16Å
408	E	91.2	Very high	92.1	Very high	129 Å²	129	74 Å²	74	60%	0.603	40%	0.399	S	S	*	.			trans	-81.8	148.3	-178.2	-65.6	-178.6	151.9	0	0	111.7	T402 D403 T406	T402-E408 CarbonylContact C-O 3.53Å; T402-E408 WeakPolarHBondContact CA-O 3.49Å; D403-E408 PolarHBondContact N-O 3.09Å; T406-E408 PolarHBondContact O-N 3.03Å; T406-E408 WeakPolarHBondContact OG1-CB 3.34Å; T406-E408 PolarHBondContact OG1-N 2.93Å
409	K	93.4	Very high	91.7	Very high	136 Å²	136	78.1 Å²	78.1	59%	0.591	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.4	171.4	-66.3	-172.4	177.1	-176.3	0	110.2	L375 T400 D401	L375-K409 HydrophobicContact CB-CB 4.22Å; L375-K409 VanDerWaalsContact CB-O 3.32Å; L375-K409 WeakPolarHBondContact CB-O 3.34Å; L375-K409 HydrophobicContact CD2-CB 3.59Å; L375-K409 HydrophobicContact CD2-CD 3.79Å; L375-K409 HydrophobicContact CD2-CG 4.35Å; L375-K409 HydrophobicContact CG-CB 4.47Å; T400-K409 HydrophobicContact CG2-CB 4.31Å; T400-K409 HydrophobicContact CG2-CD 4.4Å; D401-K409 CarbonylContact O-C 3.13Å; D401-K409 WeakPolarHBondContact O-CA 3.26Å
410	I	96.2	Very high	90.6	Very high	16 Å²	16	74.8 Å²	74.8	8%	0.082	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	164.5	-176	59.8	163.2	0	0	0	111.1	H372 T400 D401 D403	H372-I410 HydrophobicContact CB-CB 4.12Å; H372-I410 HydrophobicContact CB-CD1 3.68Å; H372-I410 HydrophobicContact CB-CG1 4.44Å; T400-I410 WeakPolarHBondContact CA-O 3.36Å; D401-I410 HydrophobicContact CB-CD1 4.34Å; D401-I410 HydrophobicContact CB-CG1 4.04Å; D401-I410 PolarHBondContact N-O 3.2Å; D401-I410 WeakPolarHBondContact O-CG1 3.23Å; D401-I410 PolarHBondContact O-N 2.87Å; D403-I410 HydrophobicContact CB-CD1 4.4Å; D403-I410 HydrophobicContact CB-CG2 3.93Å
411	L	96	Very high	88.8	Confident	7 Å²	7	74.5 Å²	74.5	4%	0.037	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132	171.4	-61.6	166.8	0	0	0	109.2	L373 P374 L375 L377 T378 F398 Q399	L373-L411 HydrophobicContact CB-CB 4.04Å; L373-L411 PolarHBondContact N-O 2.88Å; L373-L411 PolarHBondContact O-N 3.42Å; P374-L411 WeakPolarHBondContact O-CD1 3.19Å; L375-L411 HydrophobicContact CD1-CD2 3.73Å; L375-L411 HydrophobicContact CD1-CG 4.22Å; L377-L411 HydrophobicContact CB-CD1 4.45Å; T378-L411 HydrophobicContact CG2-CD1 3.82Å; T378-L411 HydrophobicContact CG2-CD2 3.99Å; T378-L411 HydrophobicContact CG2-CG 4.49Å; F398-L411 HydrophobicContact CB-CB 4.32Å; F398-L411 HydrophobicContact CB-CD2 4.02Å; F398-L411 HydrophobicContact CD1-CB 4.19Å; F398-L411 HydrophobicContact CG-CB 4.43Å; Q399-L411 WeakPolarHBondContact O-CA 3.03Å
412	T	94.4	Very high	86.7	Confident	35 Å²	35	77.5 Å²	77.5	22%	0.215	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.3	175.1	-170.1	0	0	0	0	110.8	Q399 D401	Q399-T412 HydrophobicContact CB-CG2 4.25Å; Q399-T412 PolarHBondContact N-O 2.87Å; Q399-T412 PolarHBondContact O-N 3.27Å; D401-T412 HydrophobicContact CB-CG2 4.35Å
413	C	93.4	Very high	84.3	Confident	18 Å²	18	78.9 Å²	78.9	12%	0.122	44%	0.436	C	S	.	.			trans	-154.7	178.6	174	75	0	0	0	0	109.7	F398 L415 L416	F398-C413 HydrophobicContact CD1-CB 3.95Å; F398-C413 HydrophobicContact CE1-CB 4.11Å; C413-L415 PolarHBondContact O-N 3.02Å; C413-L415 VanDerWaalsContact O-N 3.07Å; C413-L415 PolarHBondContact SG-N 2.95Å; C413-L416 PolarHBondContact O-N 3.08Å
414	V	91	Very high	81.8	Confident	139 Å²	139	84.9 Å²	84.9	84%	0.842	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.7	-178.9	68.7	0	0	0	0	114.3
415	L	92.1	Very high	79.2	Confident	52 Å²	52	79 Å²	79	27%	0.272	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.2	178.1	-56.8	-176.8	0	0	0	113.4	L387 Q391 L396 C413	L387-L415 HydrophobicContact CB-CB 4.19Å; L387-L415 HydrophobicContact CB-CD1 4.09Å; L387-L415 HydrophobicContact CD1-CB 4.34Å; Q391-L415 HydrophobicContact CG-CD1 4.36Å; L396-L415 HydrophobicContact CD1-CD1 3.6Å; L396-L415 HydrophobicContact CD1-CG 4.31Å; L396-L415 HydrophobicContact CD2-CD1 4.47Å; C413-L415 PolarHBondContact O-N 3.02Å; C413-L415 VanDerWaalsContact O-N 3.07Å; C413-L415 PolarHBondContact SG-N 2.95Å
416	L	92.9	Very high	77.1	Confident	15 Å²	15	82.9 Å²	82.9	8%	0.079	48%	0.475	C	S	.	.			trans	-119.4	138.6	177.7	-68	164.2	0	0	0	109.9	L370 L373 L387 C413 Q418	L370-L416 HydrophobicContact CB-CD2 3.95Å; L370-L416 WeakPolarHBondContact O-CD2 3.35Å; L373-L416 HydrophobicContact CD1-CD1 4.32Å; L373-L416 HydrophobicContact CG-CD1 4.03Å; L387-L416 HydrophobicContact CD1-CD1 4.1Å; L387-L416 HydrophobicContact CD1-CG 4.14Å; C413-L416 PolarHBondContact O-N 3.08Å; L416-Q418 HydrophobicContact CD2-CG 4.21Å
417	P	93.3	Very high	74.8	Confident	74 Å²	74	87.2 Å²	87.2	48%	0.481	49%	0.49	S	S	.	.	S	Bend	cis	-70.9	146	-0.8	31.7	-36.6	0	0	0	112.4	L370 L371 L419	L370-P417 CarbonylContact O-C 3.22Å; L370-P417 WeakPolarHBondContact O-CA 3.28Å; L371-P417 HydrophobicContact CD2-CB 3.77Å; P417-L419 PolarHBondContact O-N 2.8Å
418	Q	93.1	Very high	72.4	Confident	18 Å²	18	91.4 Å²	91.4	8%	0.084	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-68.8	122.2	169.3	-71.3	174.8	-30.3	0	0	109	V365 N368 L370 L387 L416	V365-Q418 PolarHBondContact O-NE2 2.91Å; N368-Q418 WeakPolarHBondContact O-CB 3.08Å; L370-Q418 HydrophobicContact CB-CG 4.42Å; L370-Q418 VanDerWaalsContact CG-OE1 3.26Å; L370-Q418 VanDerWaalsContact N-OE1 3.14Å; L370-Q418 PolarHBondContact O-N 3.39Å; L387-Q418 PolarHBondContact O-NE2 2.75Å; L416-Q418 HydrophobicContact CD2-CG 4.21Å
419	L	83.5	Confident	69.5	Low	140 Å²	140	93 Å²	93	73%	0.733	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-81.4	147.1	172.8	-65.5	173.1	0	0	0	109.4	P417 S421	P417-L419 PolarHBondContact O-N 2.8Å; L419-S421 PolarHBondContact O-N 3.12Å
420	P	70.8	Confident	66.7	Low	72 Å²	72	92.5 Å²	92.5	47%	0.468	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-54.7	134.4	171.8	-18.9	30	0	0	0	109.7	E422	P420-E422 PolarHBondContact O-N 3.3Å
421	S	58.3	Low	63.8	Low	83 Å²	83	100.3 Å²	100.3	58%	0.58	55%	0.551	S	S	*	*			trans	-60.1	100.6	164.8	-27.2	0	0	0	0	107.1	L419	L419-S421 PolarHBondContact O-N 3.12Å
422	E	47.8	Very low	60.6	Low	154 Å²	154	106.5 Å²	106.5	72%	0.72	59%	0.593	S	S	*	*			trans	-58.5	128.4	169.3	-73.8	-99.4	147	0	0	106.9	P420 T424	P420-E422 PolarHBondContact O-N 3.3Å; E422-T424 PolarHBondContact O-N 2.89Å
423	P	42.4	Very low	57.8	Low	106 Å²	106	108.3 Å²	108.3	69%	0.688	62%	0.619	S	S	*	*			trans	-58.6	128.8	163.2	27	-29.5	0	0	0	105.4	C425	P423-C425 PolarHBondContact O-N 2.94Å
424	T	37.5	Very low	55	Low	145 Å²	145	111.8 Å²	111.8	89%	0.89	65%	0.648	S	S	*	*			trans	-39.9	95.2	-179.2	41.6	0	0	0	0	112.1	E422 Q426	E422-T424 PolarHBondContact O-N 2.89Å; T424-Q426 PolarHBondContact O-N 3.39Å
425	C	31.5	Very low	52.2	Low	94 Å²	94	113.5 Å²	113.5	64%	0.635	65%	0.652	S	S	*	*			trans	-80.2	99.8	164	-84.2	0	0	0	0	106.2	P423	P423-C425 PolarHBondContact O-N 2.94Å
426	Q	42.8	Very low	49.3	Very low	181 Å²	181	117.5 Å²	117.5	85%	0.846	67%	0.669	S	S	*	*			trans	-46.6	137.2	135	-77.8	173.8	-15.5	0	0	107.5	T424	T424-Q426 PolarHBondContact O-N 3.39Å
427	E	40.1	Very low	46.5	Very low	163 Å²	163	124.1 Å²	124.1	76%	0.762	71%	0.705	S	S	*	*	S	Bend	trans	90.9	108.6	-179.7	-52.7	-165.8	159.5	0	0	116.5
428	N	38.7	Very low	43.8	Very low	143 Å²	143	128.6 Å²	128.6	77%	0.765	72%	0.724	S	S	*	*			trans	92.2	73.9	150.4	-52.3	-40.4	0	0	0	118.3
429	L	30.6	Very low	41.2	Very low	161 Å²	161	134 Å²	134	84%	0.843	76%	0.757	S	S	*	*	S	Bend	trans	-138.3	143.1	130.8	-89.8	127.4	0	0	0	110	R431	L429-R431 PolarHBondContact O-N 3.49Å; L429-R431 VanDerWaalsContact O-N 3.16Å
430	P	33.4	Very low	38.8	Very low	127 Å²	127	134.8 Å²	134.8	83%	0.825	76%	0.763	S	S	*	*			trans	-68.2	114.8	-173.9	28.4	-32.4	0	0	0	110.2
431	R	35.3	Very low	37.1	Very low	180 Å²	180	139.1 Å²	139.1	68%	0.679	78%	0.782	S	S	*	*			trans	-63.7	128.2	177	-80.6	171	164.3	169.9	-12.4	111.6	L429 G433 E436	L429-R431 PolarHBondContact O-N 3.49Å; L429-R431 VanDerWaalsContact O-N 3.16Å; R431-G433 PolarHBondContact O-N 2.87Å; R431-E436 VanDerWaalsContact CZ-CD 3.47Å; R431-E436 IonicContact CZ-OE1 2.71Å; R431-E436 IonicContact CZ-OE2 2.74Å; R431-E436 IonicContact NH1-OE1 3.23Å; R431-E436 PolarHBondContact NH1-OE1 3.14Å; R431-E436 IonicContact NH1-OE2 3.88Å; R431-E436 PolarHBondContact NH1-OE2 3.46Å; R431-E436 IonicContact NH2-OE1 3.66Å; R431-E436 PolarHBondContact NH2-OE1 3.27Å
432	C	30.7	Very low	35.7	Very low	136 Å²	136	139.9 Å²	139.9	92%	0.919	78%	0.783	S	S	*	*			trans	-65.3	113.6	145	-89.2	0	0	0	0	107.3
433	G	34.6	Very low	34.9	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	78%	0.777	S	S	*	*			trans	-74.3	128.3	-178.5	0	0	0	0	0	111.9	R431	R431-G433 PolarHBondContact O-N 2.87Å
434	A	34.5	Very low	34.5	Very low	90 Å²	90	138.3 Å²	138.3	74%	0.744	78%	0.78	S	S	*	*			trans	165.6	85.4	138.5	0	0	0	0	0	107.8
435	L	31.3	Very low	34.3	Very low	175 Å²	175	139.5 Å²	139.5	92%	0.916	78%	0.776	S	S	*	*			trans	172.8	44.9	140	-113.4	87.8	0	0	0	111.8	N437	L435-N437 PolarHBondContact O-N 2.88Å
436	E	31.6	Very low	34.1	Very low	136 Å²	136	137.3 Å²	137.3	64%	0.636	76%	0.764	S	S	*	*			trans	-90.4	100	161.1	-94.4	-178.3	150.8	0	0	108.6	R431	R431-E436 VanDerWaalsContact CZ-CD 3.47Å; R431-E436 IonicContact CZ-OE1 2.71Å; R431-E436 IonicContact CZ-OE2 2.74Å; R431-E436 IonicContact NH1-OE1 3.23Å; R431-E436 PolarHBondContact NH1-OE1 3.14Å; R431-E436 IonicContact NH1-OE2 3.88Å; R431-E436 PolarHBondContact NH1-OE2 3.46Å; R431-E436 IonicContact NH2-OE1 3.66Å; R431-E436 PolarHBondContact NH2-OE1 3.27Å
437	N	34	Very low	33.5	Very low	154 Å²	154	137 Å²	137	82%	0.824	76%	0.756	S	S	*	*	S	Bend	trans	177.5	66.9	153.6	-89	-22.1	0	0	0	108.6	L435	L435-N437 PolarHBondContact O-N 2.88Å
438	L	36.6	Very low	33.2	Very low	169 Å²	169	135 Å²	135	89%	0.885	75%	0.75	S	S	*	*	S	Bend	trans	-170.8	18.1	161.7	-111.4	139.2	0	0	0	117.7
439	V	39.3	Very low	32.8	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	74%	0.744	S	S	*	*			trans	-144.5	73.1	173.5	-163.6	0	0	0	0	111.2
440	N	34	Very low	32.8	Very low	158 Å²	158	136 Å²	136	85%	0.845	74%	0.738	S	S	*	*			trans	-127.4	87	157.8	-86.2	-11.4	0	0	0	105.7
441	D	33.6	Very low	32.6	Very low	162 Å²	162	132.5 Å²	132.5	87%	0.866	72%	0.719	S	S	*	*			trans	163.7	68.3	155.5	-91	-14.3	0	0	0	110.5
442	V	30.5	Very low	32.7	Very low	100 Å²	100	128.5 Å²	128.5	61%	0.606	71%	0.71	S	S	*	*	S	Bend	trans	-145.6	121.8	152.3	-172	0	0	0	0	107.2
443	S	30.8	Very low	32.6	Very low	86 Å²	86	128.9 Å²	128.9	60%	0.601	70%	0.703	S	S	*	*			trans	-49.4	134.1	177.2	50.9	0	0	0	0	113.1	E445 A446	S443-E445 PolarHBondContact O-N 3.4Å; S443-E445 VanDerWaalsContact O-N 3.07Å; S443-A446 PolarHBondContact O-N 3.29Å
444	D	34.1	Very low	32.7	Very low	141 Å²	141	134.6 Å²	134.6	75%	0.754	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-5.2	-178.7	-79.8	-36.9	0	0	0	115.3
445	E	31.8	Very low	32.7	Very low	170 Å²	170	134.8 Å²	134.8	79%	0.794	69%	0.694	S	S	*	*	H	α-helix	trans	-79.1	-24.9	179.1	-65.4	-160	162.8	0	0	113.8	S443 W447	S443-E445 PolarHBondContact O-N 3.4Å; S443-E445 VanDerWaalsContact O-N 3.07Å; E445-W447 PolarHBondContact O-N 2.99Å
446	A	28.5	Very low	33	Very low	47 Å²	47	128.5 Å²	128.5	39%	0.388	66%	0.664	S	S	.	*	H	α-helix	trans	-80.5	-14.6	-176.3	0	0	0	0	0	114.3	S443	S443-A446 PolarHBondContact O-N 3.29Å
447	W	30.3	Very low	33.3	Very low	176 Å²	176	125.2 Å²	125.2	67%	0.667	66%	0.66	S	S	*	*	H	α-helix	trans	-86.6	-27.3	-178.3	-83.2	89.8	0	0	0	113.4	E445	E445-W447 PolarHBondContact O-N 2.99Å
448	N	32.5	Very low	33.8	Very low	121 Å²	121	120.6 Å²	120.6	65%	0.647	64%	0.635	S	S	*	*	H	α-helix	trans	-71.7	-33.6	175.3	-88.3	-11.8	0	0	0	112.2	R450 A451 I452	N448-R450 VanDerWaalsContact C-N 3.33Å; N448-R450 PolarHBondContact O-N 3.43Å; N448-A451 PolarHBondContact O-N 2.94Å; N448-I452 WeakPolarHBondContact O-CD1 3.24Å; N448-I452 VanDerWaalsContact O-CG1 3.28Å; N448-I452 WeakPolarHBondContact O-CG1 3.45Å
449	E	30.4	Very low	33.9	Very low	134 Å²	134	120.9 Å²	120.9	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-65.6	-32.2	178.7	-71.7	-175.7	163.2	0	0	113.6	A451 I452	E449-A451 VanDerWaalsContact C-N 3.3Å; E449-A451 PolarHBondContact O-N 3.45Å; E449-I452 PolarHBondContact O-N 2.86Å
450	R	30.1	Very low	33.8	Very low	191 Å²	191	119 Å²	119	72%	0.721	61%	0.606	S	S	*	*	H	α-helix	trans	-72.5	-20	179.1	-78.3	-178.5	176	168.8	0.7	114.1	N448	N448-R450 VanDerWaalsContact C-N 3.33Å; N448-R450 PolarHBondContact O-N 3.43Å
451	A	30.8	Very low	33.8	Very low	53 Å²	53	118.1 Å²	118.1	44%	0.438	61%	0.606	S	S	.	*	H	α-helix	trans	-86.8	-15.8	174.6	0	0	0	0	0	113.2	R321 N448 E449	R321-A451 PolarHBondContact NH2-O 3.3Å; N448-A451 PolarHBondContact O-N 2.94Å; E449-A451 VanDerWaalsContact C-N 3.3Å; E449-A451 PolarHBondContact O-N 3.45Å
452	I	36.5	Very low	33.7	Very low	95 Å²	95	118.7 Å²	118.7	49%	0.487	60%	0.603	S	S	.	*	H	α-helix	trans	-80.8	-27.7	-179.2	-65.7	167.8	0	0	0	111.1	N448 E449 R454	N448-I452 WeakPolarHBondContact O-CD1 3.24Å; N448-I452 VanDerWaalsContact O-CG1 3.28Å; N448-I452 WeakPolarHBondContact O-CG1 3.45Å; E449-I452 PolarHBondContact O-N 2.86Å; I452-R454 VanDerWaalsContact C-N 3.31Å; I452-R454 PolarHBondContact O-N 3.33Å
453	N	29.6	Very low	33.7	Very low	144 Å²	144	121.1 Å²	121.1	77%	0.77	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	13.9	-178.2	-77.1	-25.3	0	0	0	116.1
454	R	36.7	Very low	33.6	Very low	194 Å²	194	126.4 Å²	126.4	73%	0.732	63%	0.628	S	S	*	*			trans	-109	56.3	172	-67.7	-170.8	-176.7	-176.2	2.3	111	I452 S456	I452-R454 VanDerWaalsContact C-N 3.31Å; I452-R454 PolarHBondContact O-N 3.33Å; R454-S456 VanDerWaalsContact C-N 3.3Å; R454-S456 PolarHBondContact O-N 3.24Å
455	V	34.7	Very low	33.4	Very low	95 Å²	95	128.3 Å²	128.3	58%	0.576	63%	0.63	S	S	*	*			trans	-69.3	97.2	157.4	179.8	0	0	0	0	106.1	A457	V455-A457 PolarHBondContact O-N 3.49Å
456	S	36.3	Very low	33.4	Very low	43 Å²	43	128 Å²	128	30%	0.301	63%	0.633	S	S	.	*			trans	-71.2	73.6	176.9	29.2	0	0	0	0	110.3	R454 I458	R454-S456 VanDerWaalsContact C-N 3.3Å; R454-S456 PolarHBondContact O-N 3.24Å; S456-I458 PolarHBondContact O-N 3.01Å
457	A	38.6	Very low	33.3	Very low	67 Å²	67	133.6 Å²	133.6	55%	0.554	65%	0.651	S	S	*	*			trans	-74	82.5	161.4	0	0	0	0	0	107.9	V455 R459	V455-A457 PolarHBondContact O-N 3.49Å; A457-R459 PolarHBondContact O-N 3.45Å
458	I	44.5	Very low	33.3	Very low	57 Å²	57	134.5 Å²	134.5	29%	0.292	66%	0.663	S	S	.	*			trans	-72.1	99.8	172.3	-59.5	173.6	0	0	0	106.8	V362 S456	V362-I458 HydrophobicContact CG1-CD1 4.03Å; S456-I458 PolarHBondContact O-N 3.01Å
459	R	37.8	Very low	33.1	Very low	174 Å²	174	136.3 Å²	136.3	66%	0.657	67%	0.673	S	S	*	*			trans	-100.3	124.2	169	-71.8	-177.2	175.5	172.8	-4.2	108.7	A457 V461	A457-R459 PolarHBondContact O-N 3.45Å; R459-V461 PolarHBondContact O-N 3.27Å
460	F	38.1	Very low	32.8	Very low	92 Å²	92	136 Å²	136	40%	0.404	68%	0.675	S	S	.	*			trans	-73.4	125.1	166.2	-64.6	-74.7	0	0	0	107.6	V339 H361 V362 E462	V339-F460 HydrophobicContact CG2-CD2 4.25Å; V339-F460 HydrophobicContact CG2-CE2 3.46Å; V339-F460 VanDerWaalsContact CG2-CE2 3.46Å; V339-F460 HydrophobicContact CG2-CZ 4.23Å; H361-F460 HydrophobicContact CB-CZ 4.41Å; V362-F460 HydrophobicContact CG2-CZ 3.79Å; F460-E462 PolarHBondContact O-N 3Å
461	V	33.3	Very low	32.9	Very low	138 Å²	138	133.7 Å²	133.7	84%	0.836	67%	0.673	S	S	*	*			trans	-71.1	110.7	166.1	-178.8	0	0	0	0	105.6	R459	R459-V461 PolarHBondContact O-N 3.27Å
462	E	31.8	Very low	33	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.813	69%	0.687	S	S	*	*			trans	-73.3	132.3	170	-70.6	-176.8	166.9	0	0	108.5	F460 E464	F460-E462 PolarHBondContact O-N 3Å; E462-E464 PolarHBondContact O-N 3.16Å
463	D	29.6	Very low	33.2	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	69%	0.692	S	S	*	*			trans	-62	119.8	176.3	-76	-37.8	0	0	0	109.1	K465	D463-K465 PolarHBondContact O-N 3.29Å
464	E	30.3	Very low	33.6	Very low	196 Å²	196	136.9 Å²	136.9	92%	0.916	68%	0.679	S	S	*	*			trans	-51.4	103.9	173.4	-68.5	180	166.9	0	0	110.6	E462	E462-E464 PolarHBondContact O-N 3.16Å
465	K	29	Very low	33.8	Very low	182 Å²	182	131.1 Å²	131.1	79%	0.791	66%	0.663	S	S	*	*			trans	-135.4	99.4	162	-76.8	-170.9	178.8	174.8	0	109.2	D463 E467	D463-K465 PolarHBondContact O-N 3.29Å; K465-E467 PolarHBondContact O-N 2.92Å
466	D	32	Very low	34.2	Very low	163 Å²	163	133.6 Å²	133.6	87%	0.872	67%	0.672	S	S	*	*			trans	27.9	82.1	146.7	-56.3	-30.6	0	0	0	116.5
467	E	27.4	Very low	35.3	Very low	164 Å²	164	134.8 Å²	134.8	77%	0.766	67%	0.67	S	S	*	*			trans	-135.3	92.1	146.2	-74.6	-153.9	176.9	0	0	109.6	K465 D469	K465-E467 PolarHBondContact O-N 2.92Å; E467-D469 VanDerWaalsContact C-N 3.28Å; E467-D469 PolarHBondContact O-N 3.34Å
468	E	28.6	Very low	36.1	Very low	195 Å²	195	138 Å²	138	91%	0.911	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	92.7	152.2	-70.5	178.1	155.5	0	0	107.4
469	D	28.8	Very low	36.3	Very low	159 Å²	159	139.9 Å²	139.9	85%	0.85	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	165	11.4	151.1	-86.8	-15.5	0	0	0	115.7	E467	E467-D469 VanDerWaalsContact C-N 3.28Å; E467-D469 PolarHBondContact O-N 3.34Å
470	N	25.3	Very low	36.9	Very low	128 Å²	128	133.5 Å²	133.5	68%	0.684	67%	0.672	S	S	*	*			trans	-113.5	96.3	166.2	-92.4	-34.4	0	0	0	111.3	T472	N470-T472 PolarHBondContact O-N 3.34Å
471	E	30.9	Very low	37.3	Very low	142 Å²	142	130.1 Å²	130.1	66%	0.664	66%	0.659	S	S	*	*			trans	-60.9	73.9	159.9	-76.4	-168.9	151.1	0	0	110.2	R473	E471-R473 HydrophobicContact CB-CG 4.13Å; E471-R473 VanDerWaalsContact CD-NH2 3.28Å; E471-R473 PolarHBondContact O-N 2.83Å; E471-R473 IonicContact OE1-CZ 3.78Å; E471-R473 IonicContact OE1-NE 3.59Å; E471-R473 PolarHBondContact OE1-NE 3.24Å; E471-R473 IonicContact OE1-NH2 3.03Å; E471-R473 PolarHBondContact OE1-NH2 2.87Å; E471-R473 IonicContact OE2-CZ 3.84Å; E471-R473 VanDerWaalsContact OE2-CZ 3.27Å; E471-R473 IonicContact OE2-NE 2.97Å; E471-R473 PolarHBondContact OE2-NE 3.35Å; E471-R473 IonicContact OE2-NH2 3Å; E471-R473 PolarHBondContact OE2-NH2 2.81Å; E471-R473 VanDerWaalsContact OE2-NH2 3.12Å
472	T	32.2	Very low	37.9	Very low	119 Å²	119	127.4 Å²	127.4	73%	0.73	64%	0.637	S	S	*	*			trans	-70.2	75.3	152.7	48.8	0	0	0	0	106.6	N470 T474	N470-T472 PolarHBondContact O-N 3.34Å; T472-T474 PolarHBondContact O-N 2.71Å
473	R	41.3	Very low	38.7	Very low	157 Å²	157	123.6 Å²	123.6	59%	0.592	63%	0.628	S	S	*	*			trans	-67.2	79.6	169	-74.7	174.6	-174.7	-161.1	3.5	107.6	E471	E471-R473 HydrophobicContact CB-CG 4.13Å; E471-R473 VanDerWaalsContact CD-NH2 3.28Å; E471-R473 PolarHBondContact O-N 2.83Å; E471-R473 IonicContact OE1-CZ 3.78Å; E471-R473 IonicContact OE1-NE 3.59Å; E471-R473 PolarHBondContact OE1-NE 3.24Å; E471-R473 IonicContact OE1-NH2 3.03Å; E471-R473 PolarHBondContact OE1-NH2 2.87Å; E471-R473 IonicContact OE2-CZ 3.84Å; E471-R473 VanDerWaalsContact OE2-CZ 3.27Å; E471-R473 IonicContact OE2-NE 2.97Å; E471-R473 PolarHBondContact OE2-NE 3.35Å; E471-R473 IonicContact OE2-NH2 3Å; E471-R473 PolarHBondContact OE2-NH2 2.81Å; E471-R473 VanDerWaalsContact OE2-NH2 3.12Å
474	T	37.8	Very low	39.5	Very low	83 Å²	83	118.3 Å²	118.3	51%	0.509	61%	0.608	S	S	.	*			trans	-52.1	143.6	157.3	32.7	0	0	0	0	109	T472 L476	T472-T474 PolarHBondContact O-N 2.71Å; T474-L476 WeakPolarHBondContact O-CG 3.38Å; T474-L476 PolarHBondContact O-N 3.13Å
475	L	41.9	Very low	40.4	Very low	73 Å²	73	117 Å²	117	38%	0.382	60%	0.603	S	S	.	*			trans	-37.6	93.9	168.4	-63	167.4	0	0	0	111.2	C224 D247 V249	C224-L475 HydrophobicContact CB-CD2 4.22Å; C224-L475 WeakPolarHBondContact SG-CD2 3.18Å; D247-L475 HydrophobicContact CB-CD2 4.37Å; V249-L475 HydrophobicContact CG2-CD1 4.31Å
476	L	41.7	Very low	41.5	Very low	147 Å²	147	112.7 Å²	112.7	77%	0.77	59%	0.587	S	S	*	*			trans	-106.9	78.6	178.8	-81.5	165.3	0	0	0	107.5	T474	T474-L476 WeakPolarHBondContact O-CG 3.38Å; T474-L476 PolarHBondContact O-N 3.13Å
477	R	60.2	Low	42.6	Very low	68 Å²	68	106.7 Å²	106.7	26%	0.257	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-71.8	142.6	169.1	-160.4	-170.9	-156.3	135	13.6	109.2	R159 D180 D205	R159-R477 VanDerWaalsContact CZ-NH2 3.26Å; D180-R477 IonicContact OD1-CZ 3.97Å; D180-R477 IonicContact OD1-NH2 3.16Å; D180-R477 PolarHBondContact OD1-NH2 3.12Å; D180-R477 IonicContact OD2-CZ 2.72Å; D180-R477 VanDerWaalsContact OD2-CZ 3.26Å; D180-R477 IonicContact OD2-NE 3.04Å; D180-R477 PolarHBondContact OD2-NE 3.07Å; D180-R477 IonicContact OD2-NH2 3.28Å; D180-R477 PolarHBondContact OD2-NH2 2.96Å; D205-R477 IonicContact OD1-CZ 2.77Å; D205-R477 IonicContact OD1-NH1 3.43Å; D205-R477 PolarHBondContact OD1-NH1 2.87Å; D205-R477 IonicContact OD1-NH2 3.88Å; D205-R477 PolarHBondContact OD1-NH2 2.76Å; D205-R477 IonicContact OD2-NH1 2.76Å; D205-R477 PolarHBondContact OD2-NH1 3.05Å
478	R	56.3	Low	43.9	Very low	136 Å²	136	105.7 Å²	105.7	51%	0.513	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-64.5	139.8	166.5	-63.5	-170.5	-173.1	156	-6.5	109.4	C132 E157 T480	C132-R478 PolarHBondContact SG-NH1 2.82Å; E157-R478 VanDerWaalsContact OE1-CD 3.23Å; E157-R478 WeakPolarHBondContact OE1-CD 3.31Å; E157-R478 IonicContact OE1-CZ 3.07Å; E157-R478 VanDerWaalsContact OE1-CZ 3.28Å; E157-R478 IonicContact OE1-NE 2.98Å; E157-R478 PolarHBondContact OE1-NE 2.9Å; E157-R478 IonicContact OE1-NH1 3.32Å; E157-R478 PolarHBondContact OE1-NH1 2.87Å; R478-T480 PolarHBondContact O-N 3.45Å
479	A	47.8	Very low	45.3	Very low	95 Å²	95	102.7 Å²	102.7	79%	0.785	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-66.7	126.6	-178.5	0	0	0	0	0	110.3
480	T	50.9	Low	46.9	Very low	40 Å²	40	97.6 Å²	97.6	25%	0.245	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-82.3	154.2	176	56.8	0	0	0	0	112.1	R159 E160 R478 H482	R159-T480 HydrophobicContact CB-CG2 4.37Å; R159-T480 HydrophobicContact CG-CG2 4.42Å; E160-T480 WeakPolarHBondContact OE1-CB 3.26Å; E160-T480 PolarHBondContact OE1-OG1 3.1Å; R478-T480 PolarHBondContact O-N 3.45Å; T480-H482 VanDerWaalsContact C-N 3.31Å; T480-H482 PolarHBondContact O-N 3.29Å
481	P	47	Very low	48.6	Very low	21 Å²	21	94.6 Å²	94.6	14%	0.136	49%	0.487	C	S	.	.	S	Bend	trans	-64.2	-28.9	-174.4	-23.1	34.6	0	0	0	115.1	R91	R91-P481 HydrophobicContact CG-CG 4.48Å
482	H	45.2	Very low	50.2	Low	82 Å²	82	91.8 Å²	91.8	38%	0.38	48%	0.48	S	S	.	.	S	Bend	trans	-138.7	136.2	-172.2	-61.9	-42.8	0	0	0	113.4	D137 T480 L486	D137-H482 IonicContact OD2-CD2 3.32Å; D137-H482 PolarHBondContact OD2-CD2 3.14Å; D137-H482 IonicContact OD2-NE2 2.7Å; T480-H482 VanDerWaalsContact C-N 3.31Å; T480-H482 PolarHBondContact O-N 3.29Å; H482-L486 HydrophobicContact CB-CD1 4.21Å
483	P	48	Very low	51.9	Low	94 Å²	94	90.7 Å²	90.7	61%	0.61	47%	0.473	S	S	*	.			trans	-68.7	145.8	168	25.2	-30.9	0	0	0	111.8	E485 L486	P483-E485 PolarHBondContact O-N 3.21Å; P483-L486 HydrophobicContact CG-CD1 4.4Å; P483-L486 PolarHBondContact O-N 3.29Å; P483-L486 VanDerWaalsContact O-N 3.11Å
484	G	47.6	Very low	53.1	Low	40 Å²	40	85 Å²	85	41%	0.412	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.9	-167.3	0	0	0	0	0	117.6	L486 K487	G484-L486 VanDerWaalsContact C-N 3.27Å; G484-L486 PolarHBondContact O-N 3.35Å; G484-K487 WeakPolarHBondContact O-CB 3.42Å; G484-K487 PolarHBondContact O-N 3.09Å; G484-K487 VanDerWaalsContact O-N 3.08Å
485	E	47.4	Very low	54.4	Low	170 Å²	170	84.9 Å²	84.9	79%	0.794	45%	0.449	S	S	*	.	H	α-helix	trans	-62.2	-32.8	176.1	-67.2	179.6	178.3	0	0	112.8	P483 K487	P483-E485 PolarHBondContact O-N 3.21Å; E485-K487 PolarHBondContact O-N 3.09Å
486	L	53.3	Low	55.5	Low	90 Å²	90	86.2 Å²	86.2	47%	0.471	46%	0.456	S	S	.	.	H	α-helix	trans	-71.3	-19.2	177.1	-68	169.1	0	0	0	112.3	H482 P483 G484 K490	H482-L486 HydrophobicContact CB-CD1 4.21Å; P483-L486 HydrophobicContact CG-CD1 4.4Å; P483-L486 PolarHBondContact O-N 3.29Å; P483-L486 VanDerWaalsContact O-N 3.11Å; G484-L486 VanDerWaalsContact C-N 3.27Å; G484-L486 PolarHBondContact O-N 3.35Å; L486-K490 WeakPolarHBondContact O-CB 3.47Å; L486-K490 PolarHBondContact O-N 3.21Å
487	K	55.2	Low	56.9	Low	38 Å²	38	86.6 Å²	86.6	17%	0.165	45%	0.448	C	S	.	.	H	α-helix	trans	-69.5	-44.2	-179.2	-170.6	-175.8	-179.4	-173.9	0	112.5	N161 N183 G484 E485 M489 K490 K491	N161-K487 WeakPolarHBondContact O-CE 3.27Å; N161-K487 PolarHBondContact O-NZ 3.4Å; N183-K487 PolarHBondContact O-NZ 3.18Å; G484-K487 WeakPolarHBondContact O-CB 3.42Å; G484-K487 PolarHBondContact O-N 3.09Å; G484-K487 VanDerWaalsContact O-N 3.08Å; E485-K487 PolarHBondContact O-N 3.09Å; K487-M489 VanDerWaalsContact C-N 3.28Å; K487-M489 PolarHBondContact O-N 3.19Å; K487-K490 PolarHBondContact O-N 3.31Å; K487-K491 WeakPolarHBondContact O-CB 3.23Å; K487-K491 PolarHBondContact O-N 3.45Å
488	H	54.3	Low	56.9	Low	143 Å²	143	86.9 Å²	86.9	66%	0.662	45%	0.454	S	S	*	.	H	α-helix	trans	-62.5	-40.6	178.4	-75.3	-60.2	0	0	0	111.2	T492	H488-T492 PolarHBondContact O-N 3.08Å; H488-T492 PolarHBondContact O-OG1 3.34Å; H488-T492 VanDerWaalsContact O-OG1 3.05Å
489	M	57.7	Low	57.4	Low	131 Å²	131	85.6 Å²	85.6	65%	0.645	46%	0.458	S	S	*	.	H	α-helix	trans	-64.8	-45.3	174	-65.1	-176.9	66.5	0	0	111.5	K487 T492 V493	K487-M489 VanDerWaalsContact C-N 3.28Å; K487-M489 PolarHBondContact O-N 3.19Å; M489-T492 PolarHBondContact O-N 3.04Å; M489-V493 WeakPolarHBondContact O-CB 3.2Å; M489-V493 VanDerWaalsContact O-CG2 3.24Å; M489-V493 WeakPolarHBondContact O-CG2 3.46Å; M489-V493 PolarHBondContact O-N 3.05Å
490	K	61.8	Low	58	Low	52 Å²	52	86.6 Å²	86.6	23%	0.226	45%	0.447	C	S	.	.	H	α-helix	trans	-58	-48.1	175.4	-174.2	177.8	177.4	-177.8	0	111.6	D137 S139 L486 K487 T492 V493 E494	D137-K490 PolarHBondContact O-NZ 2.99Å; D137-K490 IonicContact OD1-NZ 3.06Å; D137-K490 PolarHBondContact OD1-NZ 3.04Å; D137-K490 IonicContact OD2-NZ 2.67Å; D137-K490 PolarHBondContact OD2-NZ 2.66Å; S139-K490 WeakPolarHBondContact OG-CE 3.24Å; L486-K490 WeakPolarHBondContact O-CB 3.47Å; L486-K490 PolarHBondContact O-N 3.21Å; K487-K490 PolarHBondContact O-N 3.31Å; K490-T492 PolarHBondContact O-N 3.25Å; K490-V493 CarbonylContact O-C 3.47Å; K490-V493 PolarHBondContact O-N 3.17Å; K490-V493 VanDerWaalsContact O-N 3.16Å; K490-E494 VanDerWaalsContact CE-OE1 3.28Å; K490-E494 WeakPolarHBondContact CE-OE1 3.48Å; K490-E494 HydrophobicContact CG-CG 4.46Å; K490-E494 WeakPolarHBondContact O-CB 3.45Å; K490-E494 WeakPolarHBondContact O-CG 3.48Å; K490-E494 PolarHBondContact O-N 2.81Å
491	K	62.1	Low	58.5	Low	65 Å²	65	88.8 Å²	88.8	28%	0.283	46%	0.457	S	S	.	.	H	α-helix	trans	-59.8	-45.1	176.6	-177.2	174.8	-178.9	171.3	0	112.3	L162 E185 K487 V493 E494 N495	L162-K491 HydrophobicContact CD2-CD 4.43Å; E185-K491 VanDerWaalsContact CD-NZ 3.33Å; E185-K491 IonicContact OE1-NZ 2.83Å; E185-K491 PolarHBondContact OE1-NZ 2.83Å; E185-K491 IonicContact OE2-NZ 3.74Å; E185-K491 PolarHBondContact OE2-NZ 3.04Å; K487-K491 WeakPolarHBondContact O-CB 3.23Å; K487-K491 PolarHBondContact O-N 3.45Å; K491-V493 VanDerWaalsContact C-N 3.32Å; K491-V493 PolarHBondContact O-N 2.98Å; K491-E494 PolarHBondContact O-N 3.1Å; K491-N495 WeakPolarHBondContact O-CB 3.3Å; K491-N495 VanDerWaalsContact O-CG 3.27Å; K491-N495 PolarHBondContact O-N 3.19Å; K491-N495 PolarHBondContact O-ND2 3Å
492	T	63.6	Low	59.1	Low	84 Å²	84	90.6 Å²	90.6	52%	0.515	47%	0.474	S	S	.	.	H	α-helix	trans	-60.8	-43.7	175.5	-60.9	0	0	0	0	111	H488 M489 K490 L496	H488-T492 PolarHBondContact O-N 3.08Å; H488-T492 PolarHBondContact O-OG1 3.34Å; H488-T492 VanDerWaalsContact O-OG1 3.05Å; M489-T492 PolarHBondContact O-N 3.04Å; K490-T492 PolarHBondContact O-N 3.25Å; T492-L496 HydrophobicContact CG2-CD1 4.09Å; T492-L496 WeakPolarHBondContact O-CB 3.02Å; T492-L496 WeakPolarHBondContact O-CD1 3.37Å; T492-L496 WeakPolarHBondContact O-CG 3.36Å; T492-L496 PolarHBondContact O-N 3.12Å
493	V	68.1	Low	59.8	Low	95 Å²	95	89.2 Å²	89.2	58%	0.576	48%	0.477	S	S	*	.	H	α-helix	trans	-66.3	-41.2	178.3	171.4	0	0	0	0	111.9	M489 K490 K491 L496 R497	M489-V493 WeakPolarHBondContact O-CB 3.2Å; M489-V493 VanDerWaalsContact O-CG2 3.24Å; M489-V493 WeakPolarHBondContact O-CG2 3.46Å; M489-V493 PolarHBondContact O-N 3.05Å; K490-V493 CarbonylContact O-C 3.47Å; K490-V493 PolarHBondContact O-N 3.17Å; K490-V493 VanDerWaalsContact O-N 3.16Å; K491-V493 VanDerWaalsContact C-N 3.32Å; K491-V493 PolarHBondContact O-N 2.98Å; V493-L496 PolarHBondContact O-N 3.12Å; V493-R497 WeakPolarHBondContact O-CB 3.46Å; V493-R497 PolarHBondContact O-N 2.84Å
494	E	66.3	Low	60.5	Low	39 Å²	39	91 Å²	91	18%	0.182	48%	0.475	C	S	.	.	H	α-helix	trans	-68.9	-41.4	178.1	-77.7	178.7	178	0	0	112.7	S139 K490 K491 L496 R497 N498	S139-E494 WeakPolarHBondContact CB-OE1 3.43Å; S139-E494 WeakPolarHBondContact CB-OE2 3.4Å; S139-E494 PolarHBondContact OG-OE1 3.04Å; S139-E494 PolarHBondContact OG-OE2 3.03Å; K490-E494 VanDerWaalsContact CE-OE1 3.28Å; K490-E494 WeakPolarHBondContact CE-OE1 3.48Å; K490-E494 HydrophobicContact CG-CG 4.46Å; K490-E494 WeakPolarHBondContact O-CB 3.45Å; K490-E494 WeakPolarHBondContact O-CG 3.48Å; K490-E494 PolarHBondContact O-N 2.81Å; K491-E494 PolarHBondContact O-N 3.1Å; E494-L496 VanDerWaalsContact C-N 3.32Å; E494-L496 PolarHBondContact O-N 2.92Å; E494-R497 WeakPolarHBondContact O-CB 3.48Å; E494-R497 PolarHBondContact O-N 3.2Å; E494-R497 VanDerWaalsContact O-N 3.14Å; E494-N498 WeakPolarHBondContact O-CB 3.39Å; E494-N498 VanDerWaalsContact O-CG 3.31Å; E494-N498 PolarHBondContact O-N 3.1Å; E494-N498 PolarHBondContact O-ND2 2.65Å
495	N	66.8	Low	60.5	Low	80 Å²	80	90.8 Å²	90.8	43%	0.428	47%	0.474	S	S	.	.	H	α-helix	trans	-60.2	-45.1	173	-74.4	-16.1	0	0	0	110.8	K491 R497 N498 D499	K491-N495 WeakPolarHBondContact O-CB 3.3Å; K491-N495 VanDerWaalsContact O-CG 3.27Å; K491-N495 PolarHBondContact O-N 3.19Å; K491-N495 PolarHBondContact O-ND2 3Å; N495-R497 VanDerWaalsContact C-N 3.31Å; N495-R497 PolarHBondContact O-N 3.12Å; N495-N498 PolarHBondContact O-N 3.07Å; N495-D499 WeakPolarHBondContact O-CB 3.1Å; N495-D499 VanDerWaalsContact O-CG 3.25Å; N495-D499 PolarHBondContact O-N 3.39Å
496	L	64.9	Low	60.7	Low	101 Å²	101	88.4 Å²	88.4	53%	0.529	47%	0.465	S	S	.	.	H	α-helix	trans	-59.8	-41	173.5	-73.3	166.5	0	0	0	112	T492 V493 E494 D499 M500	T492-L496 HydrophobicContact CG2-CD1 4.09Å; T492-L496 WeakPolarHBondContact O-CB 3.02Å; T492-L496 WeakPolarHBondContact O-CD1 3.37Å; T492-L496 WeakPolarHBondContact O-CG 3.36Å; T492-L496 PolarHBondContact O-N 3.12Å; V493-L496 PolarHBondContact O-N 3.12Å; E494-L496 VanDerWaalsContact C-N 3.32Å; E494-L496 PolarHBondContact O-N 2.92Å; L496-D499 PolarHBondContact O-N 2.77Å; L496-M500 WeakPolarHBondContact O-CB 3.14Å; L496-M500 VanDerWaalsContact O-CG 3.26Å; L496-M500 WeakPolarHBondContact O-CG 3.1Å; L496-M500 PolarHBondContact O-N 3.23Å
497	R	69.7	Low	60.6	Low	155 Å²	155	88.9 Å²	88.9	59%	0.585	47%	0.469	S	S	*	.	H	α-helix	trans	-65.6	-43	177.6	-174	177.8	179.6	173	-1.8	111.8	V493 E494 N495 M500 N501	V493-R497 WeakPolarHBondContact O-CB 3.46Å; V493-R497 PolarHBondContact O-N 2.84Å; E494-R497 WeakPolarHBondContact O-CB 3.48Å; E494-R497 PolarHBondContact O-N 3.2Å; E494-R497 VanDerWaalsContact O-N 3.14Å; N495-R497 VanDerWaalsContact C-N 3.31Å; N495-R497 PolarHBondContact O-N 3.12Å; R497-M500 PolarHBondContact O-N 3.16Å; R497-N501 WeakPolarHBondContact O-CB 3.12Å; R497-N501 VanDerWaalsContact O-CG 3.3Å; R497-N501 PolarHBondContact O-N 3.09Å; R497-N501 PolarHBondContact O-ND2 3.27Å
498	N	61.5	Low	60.5	Low	73 Å²	73	90.4 Å²	90.4	39%	0.39	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-43.1	176.9	-72.6	-19.8	0	0	0	111.1	E494 N495 M500 N501 A502	E494-N498 WeakPolarHBondContact O-CB 3.39Å; E494-N498 VanDerWaalsContact O-CG 3.31Å; E494-N498 PolarHBondContact O-N 3.1Å; E494-N498 PolarHBondContact O-ND2 2.65Å; N495-N498 PolarHBondContact O-N 3.07Å; N498-M500 PolarHBondContact O-N 3.43Å; N498-N501 PolarHBondContact O-N 3.25Å; N498-A502 WeakPolarHBondContact O-CB 3.15Å; N498-A502 PolarHBondContact O-N 2.85Å
499	D	65.8	Low	60.2	Low	110 Å²	110	88.4 Å²	88.4	59%	0.588	48%	0.478	S	S	*	.	H	α-helix	trans	-62	-42.1	174.8	-72.3	-17.5	0	0	0	111.8	N495 L496 A502 A503	N495-D499 WeakPolarHBondContact O-CB 3.1Å; N495-D499 VanDerWaalsContact O-CG 3.25Å; N495-D499 PolarHBondContact O-N 3.39Å; L496-D499 PolarHBondContact O-N 2.77Å; D499-A502 PolarHBondContact O-N 3.07Å; D499-A503 WeakPolarHBondContact O-CB 3.14Å; D499-A503 PolarHBondContact O-N 3.43Å
500	M	60.7	Low	59.7	Low	116 Å²	116	88.7 Å²	88.7	57%	0.571	48%	0.476	S	S	*	.	H	α-helix	trans	-63.7	-39.8	174.9	-77	-178.2	68.4	0	0	112.6	L496 R497 N498 A503 K504	L496-M500 WeakPolarHBondContact O-CB 3.14Å; L496-M500 VanDerWaalsContact O-CG 3.26Å; L496-M500 WeakPolarHBondContact O-CG 3.1Å; L496-M500 PolarHBondContact O-N 3.23Å; R497-M500 PolarHBondContact O-N 3.16Å; N498-M500 PolarHBondContact O-N 3.43Å; M500-A503 PolarHBondContact O-N 3.12Å; M500-K504 WeakPolarHBondContact O-CG 3.47Å; M500-K504 PolarHBondContact O-N 3.03Å; M500-K504 VanDerWaalsContact O-N 3.08Å
501	N	61.9	Low	58.9	Low	85 Å²	85	91.2 Å²	91.2	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-69.4	-40	177	-73.8	-20.8	0	0	0	111.6	R497 N498 K504 G505	R497-N501 WeakPolarHBondContact O-CB 3.12Å; R497-N501 VanDerWaalsContact O-CG 3.3Å; R497-N501 PolarHBondContact O-N 3.09Å; R497-N501 PolarHBondContact O-ND2 3.27Å; N498-N501 PolarHBondContact O-N 3.25Å; N501-K504 PolarHBondContact O-N 2.86Å; N501-G505 PolarHBondContact O-N 3.1Å; N501-G505 VanDerWaalsContact O-N 3.08Å
502	A	60.2	Low	58.1	Low	59 Å²	59	95 Å²	95	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-40.7	173.7	0	0	0	0	0	111.9	N498 D499 G505 L506	N498-A502 WeakPolarHBondContact O-CB 3.15Å; N498-A502 PolarHBondContact O-N 2.85Å; D499-A502 PolarHBondContact O-N 3.07Å; A502-G505 PolarHBondContact O-N 3.39Å; A502-L506 PolarHBondContact O-N 2.95Å; A502-L506 VanDerWaalsContact O-N 3.16Å
503	A	59.3	Low	57.3	Low	54 Å²	54	95.4 Å²	95.4	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-41.2	175.1	0	0	0	0	0	112.4	D499 M500 G505 L506 D507	D499-A503 WeakPolarHBondContact O-CB 3.14Å; D499-A503 PolarHBondContact O-N 3.43Å; M500-A503 PolarHBondContact O-N 3.12Å; A503-G505 VanDerWaalsContact C-N 3.35Å; A503-G505 PolarHBondContact O-N 2.89Å; A503-L506 PolarHBondContact O-N 3.11Å; A503-D507 PolarHBondContact O-N 3.28Å
504	K	62.9	Low	56.2	Low	130 Å²	130	95.7 Å²	95.7	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-65	-35.4	175	-75.3	177.5	179.7	177.6	0	112.9	M500 N501 S508	M500-K504 WeakPolarHBondContact O-CG 3.47Å; M500-K504 PolarHBondContact O-N 3.03Å; M500-K504 VanDerWaalsContact O-N 3.08Å; N501-K504 PolarHBondContact O-N 2.86Å; K504-S508 PolarHBondContact O-N 3.2Å; K504-S508 VanDerWaalsContact O-N 3.16Å; K504-S508 PolarHBondContact O-OG 3.28Å
505	G	46.8	Very low	55.2	Low	37 Å²	37	100.8 Å²	100.8	38%	0.381	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-37.1	174.5	0	0	0	0	0	113.2	N501 A502 A503 S508 N509	N501-G505 PolarHBondContact O-N 3.1Å; N501-G505 VanDerWaalsContact O-N 3.08Å; A502-G505 PolarHBondContact O-N 3.39Å; A503-G505 VanDerWaalsContact C-N 3.35Å; A503-G505 PolarHBondContact O-N 2.89Å; G505-S508 PolarHBondContact O-N 3.23Å; G505-N509 PolarHBondContact O-N 2.9Å
506	L	53	Low	54.1	Low	119 Å²	119	100.4 Å²	100.4	62%	0.623	54%	0.543	S	S	*	.	H	α-helix	trans	-70.5	-35.5	177.6	-76.1	160.8	0	0	0	113.3	A502 A503 K510	A502-L506 PolarHBondContact O-N 2.95Å; A502-L506 VanDerWaalsContact O-N 3.16Å; A503-L506 PolarHBondContact O-N 3.11Å; L506-K510 PolarHBondContact O-N 3.15Å
507	D	51.1	Low	53.2	Low	100 Å²	100	101.4 Å²	101.4	54%	0.535	55%	0.547	S	S	.	.	H	α-helix	trans	-72.9	-29.9	174.4	-88.4	-13.6	0	0	0	112.7	A503 K510 N511	A503-D507 PolarHBondContact O-N 3.28Å; D507-K510 PolarHBondContact O-N 2.76Å; D507-N511 PolarHBondContact O-N 2.95Å
508	S	51.3	Low	52	Low	71 Å²	71	100.7 Å²	100.7	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-65.2	-41.8	174.6	-53.8	0	0	0	0	111.6	K504 G505 K510 N511 E512	K504-S508 PolarHBondContact O-N 3.2Å; K504-S508 VanDerWaalsContact O-N 3.16Å; K504-S508 PolarHBondContact O-OG 3.28Å; G505-S508 PolarHBondContact O-N 3.23Å; S508-K510 PolarHBondContact O-N 3.5Å; S508-N511 PolarHBondContact O-N 3.27Å; S508-E512 PolarHBondContact O-N 2.6Å
509	N	48.5	Very low	51.3	Low	101 Å²	101	108.2 Å²	108.2	54%	0.54	58%	0.578	S	S	.	*	H	α-helix	trans	-68.7	-28.8	176.3	-83.7	-9.8	0	0	0	113.6	G505 N511 V513	G505-N509 PolarHBondContact O-N 2.9Å; N509-N511 VanDerWaalsContact C-N 3.33Å; N509-V513 WeakPolarHBondContact O-CG2 3.35Å; N509-V513 PolarHBondContact O-N 2.88Å
510	K	48.1	Very low	50.6	Low	137 Å²	137	108.9 Å²	108.9	60%	0.596	59%	0.586	S	S	*	*	H	α-helix	trans	-69.5	-30.5	173.8	-81.1	179.8	179.8	169	0	112.7	L506 D507 S508 N514	L506-K510 PolarHBondContact O-N 3.15Å; D507-K510 PolarHBondContact O-N 2.76Å; S508-K510 PolarHBondContact O-N 3.5Å; K510-N514 PolarHBondContact O-N 3.04Å; K510-N514 PolarHBondContact O-ND2 3.11Å
511	N	45	Very low	49.8	Very low	105 Å²	105	109.4 Å²	109.4	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-76.7	-28.9	177.3	-76.1	-20	0	0	0	113	D507 S508 N509 H515	D507-N511 PolarHBondContact O-N 2.95Å; S508-N511 PolarHBondContact O-N 3.27Å; N509-N511 VanDerWaalsContact C-N 3.33Å; N511-H515 PolarHBondContact O-CD2 3.33Å; N511-H515 PolarHBondContact O-N 3.07Å
512	E	45.4	Very low	48.6	Very low	144 Å²	144	112 Å²	112	67%	0.673	62%	0.615	S	S	*	*	H	α-helix	trans	-73.1	-37.4	173.5	-74.8	-166.9	156.8	0	0	113	S508 N514 H515 A516	S508-E512 PolarHBondContact O-N 2.6Å; E512-N514 VanDerWaalsContact C-N 3.31Å; E512-N514 PolarHBondContact O-N 2.8Å; E512-H515 PolarHBondContact O-N 3.14Å; E512-A516 PolarHBondContact O-N 3.26Å
513	V	46.8	Very low	47.6	Very low	92 Å²	92	114.9 Å²	114.9	56%	0.558	63%	0.631	S	S	*	*	H	α-helix	trans	-67.1	-33.1	177.2	177.1	0	0	0	0	111.7	N509	N509-V513 WeakPolarHBondContact O-CG2 3.35Å; N509-V513 PolarHBondContact O-N 2.88Å
514	N	44.3	Very low	46.7	Very low	101 Å²	101	122.4 Å²	122.4	54%	0.54	67%	0.671	S	S	.	*	H	α-helix	trans	-73.7	-26	176.4	-75	-25.3	0	0	0	113.4	K510 E512	K510-N514 PolarHBondContact O-N 3.04Å; K510-N514 PolarHBondContact O-ND2 3.11Å; E512-N514 VanDerWaalsContact C-N 3.31Å; E512-N514 PolarHBondContact O-N 2.8Å
515	H	44.7	Very low	45.9	Very low	146 Å²	146	122 Å²	122	68%	0.676	68%	0.676	S	S	*	*	H	α-helix	trans	-83	-15.4	176.6	-86.1	-52.7	0	0	0	114.6	N511 E512	N511-H515 PolarHBondContact O-CD2 3.33Å; N511-H515 PolarHBondContact O-N 3.07Å; E512-H515 PolarHBondContact O-N 3.14Å
516	A	44	Very low	45.8	Very low	73 Å²	73	126.5 Å²	126.5	60%	0.603	69%	0.692	S	S	*	*	H	α-helix	trans	-80.7	-21.1	175.9	0	0	0	0	0	113.6	E512	E512-A516 PolarHBondContact O-N 3.26Å
517	I	46	Very low	45.4	Very low	121 Å²	121	126.9 Å²	126.9	62%	0.621	70%	0.696	S	S	*	*	H	α-helix	trans	-83.8	-22	-175.9	-63.5	171.9	0	0	0	112.1	R519	I517-R519 PolarHBondContact O-N 3.16Å
518	D	45.3	Very low	45.1	Very low	140 Å²	140	128.5 Å²	128.5	75%	0.749	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	7.9	-175.7	-83.6	-12.6	0	0	0	115.6
519	R	46.1	Very low	44.7	Very low	232 Å²	232	132.1 Å²	132.1	88%	0.875	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	13.6	-178.6	-83.2	-168.4	178.7	-177.4	2.7	116.6	I517	I517-R519 PolarHBondContact O-N 3.16Å
520	V	50.7	Low	44.4	Very low	123 Å²	123	134.1 Å²	134.1	75%	0.745	73%	0.73	S	S	*	*			trans	-120.5	81.7	173.1	-172.4	0	0	0	0	110.5
521	T	43.6	Very low	44.2	Very low	127 Å²	127	133.9 Å²	133.9	78%	0.779	74%	0.74	S	S	*	*			trans	172.9	108.7	139.8	23.9	0	0	0	0	110.7
522	T	37.6	Very low	44.1	Very low	141 Å²	141	136.2 Å²	136.2	87%	0.865	75%	0.753	S	S	*	*				176.8	143.8	128.3	25.7	0	0	0	0	112.6
523	S	38.5	Very low	44	Very low	118 Å²	118	135.5 Å²	135.5	83%	0.825	76%	0.76	S	S	*	*			trans	86.4	121.6	172.4	75.9	0	0	0	0	116
524	V	40.4	Very low	43.7	Very low	212 Å²	212	139.5 Å²	139.5	100%	1.285	78%	0.779	S	S	*	*			cis	-141.3	0	0.3	171.5	0	0	0	0	107.8

Retrieved 524 of 524 residues in 311.5 ms (Link to these results)

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