A0A087X2P9_POEFO Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A087X2P9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 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	43.2	Very low	53.1	Low	249 Å²	249	164.5 Å²	164.5	100%	1.227	85%	0.852	S	S	*	*				0	98.2	0	-78	179.3	167.1	0	0	107.7
2	S	38.6	Very low	54.7	Low	114 Å²	114	161.3 Å²	161.3	80%	0.797	84%	0.837	S	S	*	*			trans	-120.3	101.2	166.7	54.5	0	0	0	0	105.8	N4	S2-N4 PolarHBondContact O-N 3.44Å
3	E	43.4	Very low	56.6	Low	187 Å²	187	152.4 Å²	152.4	87%	0.874	80%	0.797	S	S	*	*			trans	-63.7	115	175.2	-72.7	177.4	152.6	0	0	109	K5	E3-K5 PolarHBondContact O-N 3.3Å; E3-K5 VanDerWaalsContact O-N 3.14Å
4	N	45.3	Very low	58.2	Low	159 Å²	159	151.9 Å²	151.9	85%	0.85	80%	0.804	S	S	*	*			trans	-64.9	106.6	162.9	-93.3	-12.2	0	0	0	107.6	S2	S2-N4 PolarHBondContact O-N 3.44Å
5	K	48.8	Very low	59.7	Low	191 Å²	191	149.9 Å²	149.9	83%	0.83	80%	0.8	S	S	*	*			trans	-65.4	129.1	163.1	-78.2	-175.2	175.9	-177.5	0	108.3	E3 N7	E3-K5 PolarHBondContact O-N 3.3Å; E3-K5 VanDerWaalsContact O-N 3.14Å; K5-N7 PolarHBondContact O-N 3.02Å
6	P	54.3	Low	61.5	Low	112 Å²	112	146.6 Å²	146.6	73%	0.727	78%	0.782	S	S	*	*			trans	-63.6	135.3	170.1	26.4	-29.9	0	0	0	108.5	D8	P6-D8 PolarHBondContact O-N 2.66Å; P6-D8 VanDerWaalsContact O-N 3.07Å
7	N	52.4	Low	63.3	Low	156 Å²	156	144 Å²	144	83%	0.834	76%	0.759	S	S	*	*			trans	-53.8	114.6	168.4	-92.8	-16.4	0	0	0	108.1	K5 E9	K5-N7 PolarHBondContact O-N 3.02Å; N7-E9 PolarHBondContact O-N 2.9Å
8	D	55.6	Low	64.9	Low	160 Å²	160	141.2 Å²	141.2	86%	0.856	75%	0.748	S	S	*	*			trans	-67.6	82.2	165.6	-88.4	-36.3	0	0	0	107.7	P6	P6-D8 PolarHBondContact O-N 2.66Å; P6-D8 VanDerWaalsContact O-N 3.07Å
9	E	64.1	Low	66.3	Low	162 Å²	162	138.1 Å²	138.1	76%	0.757	74%	0.735	S	S	*	*			trans	-60.2	132.2	161	-75.3	-171.4	171.7	0	0	107.9	N7 K11	N7-E9 PolarHBondContact O-N 2.9Å; E9-K11 PolarHBondContact O-N 2.65Å
10	P	65.4	Low	67.7	Low	110 Å²	110	139.2 Å²	139.2	71%	0.714	73%	0.733	S	S	*	*			trans	-60.6	114.9	-178.5	23.1	-31.1	0	0	0	109	L12	P10-L12 PolarHBondContact O-N 3.28Å
11	K	73	Confident	69	Low	209 Å²	209	137.7 Å²	137.7	91%	0.909	73%	0.734	S	S	*	*			trans	-54.3	108.4	173	-84.4	-177.7	177.6	176.2	0	108.8	E9 S13	E9-K11 PolarHBondContact O-N 2.65Å; K11-S13 PolarHBondContact O-N 3.33Å
12	L	72.4	Confident	71.5	Confident	127 Å²	127	129.5 Å²	129.5	67%	0.665	70%	0.698	S	S	*	*			trans	-67.5	128	173.8	-67.3	173.9	0	0	0	108.7	P10 T14 V18	P10-L12 PolarHBondContact O-N 3.28Å; L12-T14 PolarHBondContact O-N 3.16Å; L12-V18 HydrophobicContact CD1-CG1 4.4Å; L12-V18 HydrophobicContact CD2-CG1 4.22Å
13	S	79.4	Confident	74.3	Confident	45 Å²	45	129.4 Å²	129.4	32%	0.315	69%	0.694	S	S	.	*			trans	-64.3	130.9	172.4	175.4	0	0	0	0	109.4	K11 T15 D16	K11-S13 PolarHBondContact O-N 3.33Å; S13-T15 VanDerWaalsContact C-N 3.29Å; S13-T15 PolarHBondContact OG-N 3.36Å; S13-T15 PolarHBondContact OG-OG1 3.16Å; S13-D16 WeakPolarHBondContact CB-OD2 3.44Å; S13-D16 WeakPolarHBondContact OG-CB 3.47Å; S13-D16 PolarHBondContact OG-N 3.44Å; S13-D16 VanDerWaalsContact OG-N 3.12Å; S13-D16 PolarHBondContact OG-OD2 3.15Å
14	T	78.3	Confident	76.8	Confident	146 Å²	146	127.7 Å²	127.7	90%	0.896	68%	0.684	S	S	*	*	S	Bend	trans	-82.9	-9.1	177.3	52.7	0	0	0	0	112.8	L12	L12-T14 PolarHBondContact O-N 3.16Å
15	T	81.5	Confident	79.3	Confident	122 Å²	122	122.3 Å²	122.3	75%	0.748	66%	0.658	S	S	*	*	S	Bend	trans	-106.3	-24.7	178.3	53.6	0	0	0	0	112.9	S13	S13-T15 VanDerWaalsContact C-N 3.29Å; S13-T15 PolarHBondContact OG-N 3.36Å; S13-T15 PolarHBondContact OG-OG1 3.16Å
16	D	88.9	Confident	81.7	Confident	96 Å²	96	115.3 Å²	115.3	51%	0.513	63%	0.632	S	S	.	*	S	Bend	trans	-90.4	149.7	179.9	-57.5	-47	0	0	0	111.9	S13 V18	S13-D16 WeakPolarHBondContact CB-OD2 3.44Å; S13-D16 WeakPolarHBondContact OG-CB 3.47Å; S13-D16 PolarHBondContact OG-N 3.44Å; S13-D16 VanDerWaalsContact OG-N 3.12Å; S13-D16 PolarHBondContact OG-OD2 3.15Å; D16-V18 PolarHBondContact O-N 2.9Å; D16-V18 VanDerWaalsContact O-N 3.15Å
17	R	91.1	Very high	83.7	Confident	103 Å²	103	115.8 Å²	115.8	39%	0.389	64%	0.638	S	S	.	*			trans	-62.2	117.2	173.2	-173.5	171.5	-176.5	-122.6	5.5	110.5	V19 K20 V22 P23	R17-V19 PolarHBondContact NH1-O 3.3Å; R17-K20 WeakPolarHBondContact O-CG 3.48Å; R17-V22 PolarHBondContact NH1-O 3.33Å; R17-V22 PolarHBondContact NH2-O 3.35Å; R17-P23 PolarHBondContact NH2-O 3.46Å
18	V	92.3	Very high	85.9	Confident	93 Å²	93	112.8 Å²	112.8	56%	0.564	62%	0.619	S	S	*	*	S	Bend	trans	-65.7	-54.6	-176.4	178.5	0	0	0	0	111.7	L12 D16 K20	L12-V18 HydrophobicContact CD1-CG1 4.4Å; L12-V18 HydrophobicContact CD2-CG1 4.22Å; D16-V18 PolarHBondContact O-N 2.9Å; D16-V18 VanDerWaalsContact O-N 3.15Å; V18-K20 PolarHBondContact O-N 3.03Å
19	V	92.3	Very high	87.9	Confident	82 Å²	82	109.2 Å²	109.2	50%	0.497	59%	0.593	S	S	.	*			trans	-94.3	83.4	-177.2	-167.4	0	0	0	0	110.3	R17 S21 V22	R17-V19 PolarHBondContact NH1-O 3.3Å; V19-S21 VanDerWaalsContact C-N 3.3Å; V19-S21 PolarHBondContact O-N 2.94Å; V19-V22 HydrophobicContact CB-CG2 4.41Å; V19-V22 HydrophobicContact CG1-CB 4.34Å; V19-V22 HydrophobicContact CG1-CG2 3.59Å
20	K	93.1	Very high	89.6	Confident	161 Å²	161	102 Å²	102	70%	0.7	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-23.6	-175.7	-62.9	-177.1	-178.7	178.8	0	114.2	R17 V18	R17-K20 WeakPolarHBondContact O-CG 3.48Å; V18-K20 PolarHBondContact O-N 3.03Å
21	S	95.9	Very high	91.2	Very high	108 Å²	108	99 Å²	99	76%	0.755	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-25.5	-177.5	52.4	0	0	0	0	114	V19	V19-S21 VanDerWaalsContact C-N 3.3Å; V19-S21 PolarHBondContact O-N 2.94Å
22	V	95.8	Very high	92.4	Very high	76 Å²	76	91.1 Å²	91.1	46%	0.461	51%	0.514	S	S	.	.	S	Bend	trans	-69.5	128.5	176.3	173.3	0	0	0	0	108	R17 V19	R17-V22 PolarHBondContact NH1-O 3.33Å; R17-V22 PolarHBondContact NH2-O 3.35Å; V19-V22 HydrophobicContact CB-CG2 4.41Å; V19-V22 HydrophobicContact CG1-CB 4.34Å; V19-V22 HydrophobicContact CG1-CG2 3.59Å
23	P	96.5	Very high	93.6	Very high	112 Å²	112	93.6 Å²	93.6	73%	0.727	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-57.1	147.5	175.3	-26.2	36.1	0	0	0	112	R17	R17-P23 PolarHBondContact NH2-O 3.46Å
24	F	96.7	Very high	94.5	Very high	152 Å²	152	94.6 Å²	94.6	67%	0.667	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-102.1	130.9	176.2	-169.6	-90.6	0	0	0	109.5
25	P	97.8	Very high	95.5	Very high	46 Å²	46	87.7 Å²	87.7	30%	0.299	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-57.2	136.3	177.2	-29.3	37.4	0	0	0	112.8	S27 K53 E54	P25-S27 PolarHBondContact O-N 3.12Å; P25-K53 WeakPolarHBondContact CA-O 3.04Å; P25-E54 HydrophobicContact CB-CB 4.06Å; P25-E54 HydrophobicContact CG-CB 4.13Å
26	P	97.9	Very high	96.3	Very high	44 Å²	44	82.1 Å²	82.1	29%	0.286	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-58.7	131.2	176.5	-23.4	32.6	0	0	0	112.2	K53	P26-K53 WeakPolarHBondContact CD-O 3.41Å; P26-K53 HydrophobicContact CG-CB 4.01Å
27	S	97.1	Very high	96.7	Very high	121 Å²	121	80.3 Å²	80.3	85%	0.846	43%	0.432	S	S	*	.			trans	-77	-27.5	171.7	55.1	0	0	0	0	112.8	P25	P25-S27 PolarHBondContact O-N 3.12Å
28	H	98.2	Very high	96.9	Very high	94 Å²	94	81.1 Å²	81.1	44%	0.435	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-68.8	131.2	177.5	179.2	57.2	0	0	0	111	E34 H50	H28-E34 IonicContact CD2-OE1 3.72Å; H28-E34 IonicContact CE1-OE2 3.64Å; H28-E34 IonicContact NE2-OE1 2.69Å; H28-E34 PolarHBondContact NE2-OE1 2.98Å; H28-E34 IonicContact NE2-OE2 3.94Å; H28-E34 PolarHBondContact NE2-OE2 3.41Å; H28-E34 VanDerWaalsContact NE2-OE2 3.15Å; H28-H50 PolarHBondContact O-CE1 2.73Å; H28-H50 VanDerWaalsContact O-CE1 3.24Å; H28-H50 PolarHBondContact O-NE2 3.26Å
29	R	98.7	Very high	97.1	Very high	85 Å²	85	83.1 Å²	83.1	32%	0.321	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-94.1	129.1	171.3	-72	-174.6	179.1	-109	6.3	109.6	T31 R56 V57 D58 K170	R29-T31 PolarHBondContact O-N 3.48Å; R29-R56 WeakPolarHBondContact CA-O 3.38Å; R29-R56 HydrophobicContact CG-CB 4.32Å; R29-V57 PolarHBondContact NH1-O 3.02Å; R29-V57 VanDerWaalsContact NH1-O 3.08Å; R29-D58 VanDerWaalsContact CB-OD1 3.31Å; R29-D58 WeakPolarHBondContact CB-OD1 3.32Å; R29-K170 PolarHBondContact NH1-O 3.34Å; R29-K170 PolarHBondContact NH2-O 3.1Å; R29-K170 VanDerWaalsContact NH2-O 3.12Å
30	L	98.8	Very high	97.3	Very high	10 Å²	10	80.1 Å²	80.1	5%	0.052	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-66	130.7	178.9	-64	179.9	0	0	0	111	E34 V35 V46 H50 R56 V57 D58	L30-E34 HydrophobicContact CB-CB 4.4Å; L30-E34 HydrophobicContact CD2-CB 4.15Å; L30-V35 HydrophobicContact CB-CG2 3.65Å; L30-V35 HydrophobicContact CD1-CG2 3.97Å; L30-V35 HydrophobicContact CG-CG2 4.49Å; L30-V46 HydrophobicContact CD1-CG1 3.99Å; L30-H50 HydrophobicContact CD1-CB 3.57Å; L30-H50 HydrophobicContact CG-CB 4.24Å; L30-R56 PolarHBondContact N-O 3.01Å; L30-R56 VanDerWaalsContact N-O 3.15Å; L30-V57 HydrophobicContact CB-CG1 4.17Å; L30-D58 PolarHBondContact O-N 3.32Å
31	T	98.8	Very high	97.5	Very high	48 Å²	48	76.7 Å²	76.7	29%	0.294	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-83.9	167.8	177.8	67.2	0	0	0	0	111.6	R29 K33 E34 V35	R29-T31 PolarHBondContact O-N 3.48Å; T31-K33 PolarHBondContact O-N 3.44Å; T31-E34 WeakPolarHBondContact CB-OE2 3.49Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.3Å; T31-E34 PolarHBondContact N-OE2 3.18Å; T31-E34 PolarHBondContact O-N 3.28Å; T31-E34 VanDerWaalsContact O-N 3.09Å; T31-E34 PolarHBondContact OG1-OE2 2.99Å; T31-V35 PolarHBondContact O-N 2.9Å
32	A	98.3	Very high	97.6	Very high	43 Å²	43	71.7 Å²	71.7	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-32.9	177.9	0	0	0	0	0	113.4	E34 F36 V61	A32-E34 VanDerWaalsContact C-N 3.31Å; A32-E34 PolarHBondContact O-N 3.33Å; A32-F36 HydrophobicContact CB-CD2 4.39Å; A32-F36 WeakPolarHBondContact O-CB 3.26Å; A32-F36 WeakPolarHBondContact O-CD2 3.42Å; A32-F36 PolarHBondContact O-N 3.4Å; A32-V61 HydrophobicContact CB-CG2 3.97Å; A32-V61 VanDerWaalsContact N-CG2 3.32Å
33	K	97.9	Very high	97.8	Very high	179 Å²	179	71.9 Å²	71.9	78%	0.778	39%	0.391	S	S	*	.	H	α-helix	trans	-70.5	-29.3	178.4	-67	-177.6	179.4	178.6	0	112.6	T31 F36 K43	T31-K33 PolarHBondContact O-N 3.44Å; K33-F36 VanDerWaalsContact O-O 3.11Å; K33-K43 PolarHBondContact O-NZ 2.85Å
34	E	98.6	Very high	97.8	Very high	66 Å²	66	67.1 Å²	67.1	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-80	-37.5	177.7	-68.4	165	113.8	0	0	111.1	H28 L30 T31 A32 K43	H28-E34 IonicContact CD2-OE1 3.72Å; H28-E34 IonicContact CE1-OE2 3.64Å; H28-E34 IonicContact NE2-OE1 2.69Å; H28-E34 PolarHBondContact NE2-OE1 2.98Å; H28-E34 IonicContact NE2-OE2 3.94Å; H28-E34 PolarHBondContact NE2-OE2 3.41Å; H28-E34 VanDerWaalsContact NE2-OE2 3.15Å; L30-E34 HydrophobicContact CB-CB 4.4Å; L30-E34 HydrophobicContact CD2-CB 4.15Å; T31-E34 WeakPolarHBondContact CB-OE2 3.49Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.3Å; T31-E34 PolarHBondContact N-OE2 3.18Å; T31-E34 PolarHBondContact O-N 3.28Å; T31-E34 VanDerWaalsContact O-N 3.09Å; T31-E34 PolarHBondContact OG1-OE2 2.99Å; A32-E34 VanDerWaalsContact C-N 3.31Å; A32-E34 PolarHBondContact O-N 3.33Å; E34-K43 WeakPolarHBondContact O-CD 3.39Å
35	V	98.7	Very high	97.9	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-84.4	-32.5	-178	177.7	0	0	0	0	113.2	L30 T31 P42 K43 V57 V61 L65	L30-V35 HydrophobicContact CB-CG2 3.65Å; L30-V35 HydrophobicContact CD1-CG2 3.97Å; L30-V35 HydrophobicContact CG-CG2 4.49Å; T31-V35 PolarHBondContact O-N 2.9Å; V35-P42 CarbonylContact O-C 3.59Å; V35-P42 WeakPolarHBondContact O-CA 3.45Å; V35-K43 PolarHBondContact O-N 3.09Å; V35-V57 HydrophobicContact CG2-CG1 4.25Å; V35-V61 HydrophobicContact CB-CG1 3.87Å; V35-V61 HydrophobicContact CG1-CG1 3.88Å; V35-V61 HydrophobicContact CG2-CG1 3.79Å; V35-L65 HydrophobicContact CG1-CD1 4.33Å
36	F	98.6	Very high	97.9	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.026	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-111	146.9	-179	-60	-87.7	0	0	0	111.7	A32 K33 G40 K41 P42 K43 V61 R64 L65	A32-F36 HydrophobicContact CB-CD2 4.39Å; A32-F36 WeakPolarHBondContact O-CB 3.26Å; A32-F36 WeakPolarHBondContact O-CD2 3.42Å; A32-F36 PolarHBondContact O-N 3.4Å; K33-F36 VanDerWaalsContact O-O 3.11Å; F36-G40 WeakPolarHBondContact CD1-O 3.46Å; F36-K41 CarbonylContact C-O 3.53Å; F36-K41 WeakPolarHBondContact CA-O 3.27Å; F36-P42 HydrophobicContact CD1-CB 4.36Å; F36-P42 HydrophobicContact CE1-CB 4.27Å; F36-K43 WeakPolarHBondContact O-CE 3.37Å; F36-K43 PolarHBondContact O-NZ 2.66Å; F36-V61 HydrophobicContact CE2-CG1 4.09Å; F36-R64 HydrophobicContact CE2-CG 4.19Å; F36-R64 HydrophobicContact CZ-CB 4.34Å; F36-R64 HydrophobicContact CZ-CG 3.8Å; F36-L65 HydrophobicContact CE1-CD2 3.88Å; F36-L65 HydrophobicContact CZ-CD2 3.61Å; F36-L65 HydrophobicContact CZ-CG 3.93Å
37	D	97.7	Very high	98	Very high	58 Å²	58	64.5 Å²	64.5	31%	0.31	35%	0.35	S	S	.	.			trans	-83.3	-176.2	169.4	67.8	20.2	0	0	0	112.4	D39 G40 K41 K43	D37-D39 PolarHBondContact O-N 3.33Å; D37-D39 WeakPolarHBondContact OD1-CA 3.43Å; D37-D39 PolarHBondContact OD1-N 3.46Å; D37-G40 PolarHBondContact O-N 3.48Å; D37-G40 VanDerWaalsContact O-N 3.16Å; D37-G40 PolarHBondContact OD1-N 2.94Å; D37-K41 PolarHBondContact N-O 3.05Å; D37-K41 PolarHBondContact OD1-N 3.04Å; D37-K41 WeakPolarHBondContact OD2-CB 3.45Å; D37-K43 HydrophobicContact CB-CG 4.42Å
38	S	96.3	Very high	98	Very high	119 Å²	119	61.8 Å²	61.8	83%	0.832	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.8	179.7	47.7	0	0	0	0	113.5	G40	S38-G40 VanDerWaalsContact C-N 3.27Å
39	D	96.1	Very high	98.1	Very high	136 Å²	136	59.8 Å²	59.8	73%	0.727	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	2.4	179.4	-58.3	-37.6	0	0	0	111.7	D37 K41	D37-D39 PolarHBondContact O-N 3.33Å; D37-D39 WeakPolarHBondContact OD1-CA 3.43Å; D37-D39 PolarHBondContact OD1-N 3.46Å; D39-K41 VanDerWaalsContact C-N 3.31Å
40	G	95.6	Very high	98.1	Very high	19 Å²	19	56.8 Å²	56.8	20%	0.196	31%	0.312	C	S	.	.	S	Bend	trans	77.4	13.7	-179.7	0	0	0	0	0	113.8	F36 D37 S38	F36-G40 WeakPolarHBondContact CD1-O 3.46Å; D37-G40 PolarHBondContact O-N 3.48Å; D37-G40 VanDerWaalsContact O-N 3.16Å; D37-G40 PolarHBondContact OD1-N 2.94Å; S38-G40 VanDerWaalsContact C-N 3.27Å
41	K	97.8	Very high	98.1	Very high	88 Å²	88	56.3 Å²	56.3	38%	0.383	31%	0.31	S	S	.	.			trans	-84.5	143.2	175.2	-63.8	-65.4	-172.9	179.2	0	111.1	F36 D37 D39 I139 L140	F36-K41 CarbonylContact C-O 3.53Å; F36-K41 WeakPolarHBondContact CA-O 3.27Å; D37-K41 PolarHBondContact N-O 3.05Å; D37-K41 PolarHBondContact OD1-N 3.04Å; D37-K41 WeakPolarHBondContact OD2-CB 3.45Å; D39-K41 VanDerWaalsContact C-N 3.31Å; K41-I139 PolarHBondContact NZ-O 3.19Å; K41-L140 HydrophobicContact CB-CD1 4.23Å; K41-L140 HydrophobicContact CD-CD1 4.42Å
42	P	98.5	Very high	98	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.026	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-73.4	132.8	179.1	28.7	-33.1	0	0	0	111.4	V35 F36 V44 L65 A136 I139 L140	V35-P42 CarbonylContact O-C 3.59Å; V35-P42 WeakPolarHBondContact O-CA 3.45Å; F36-P42 HydrophobicContact CD1-CB 4.36Å; F36-P42 HydrophobicContact CE1-CB 4.27Å; P42-V44 VanDerWaalsContact C-N 3.34Å; P42-V44 HydrophobicContact CG-CG1 4.48Å; P42-V44 PolarHBondContact O-N 3.04Å; P42-L65 HydrophobicContact CB-CD2 4.09Å; P42-A136 HydrophobicContact CB-CB 4.06Å; P42-A136 HydrophobicContact CG-CB 4.18Å; P42-A136 VanDerWaalsContact CG-O 3.27Å; P42-A136 WeakPolarHBondContact CG-O 3.3Å; P42-I139 HydrophobicContact CG-CB 4.13Å; P42-I139 HydrophobicContact CG-CG2 4.05Å; P42-L140 HydrophobicContact CG-CB 4.3Å
43	K	98.6	Very high	98.1	Very high	79 Å²	79	61 Å²	61	34%	0.343	32%	0.323	S	S	.	.			trans	-80	79.8	172.7	-62.1	176.7	-171	147.4	0	109.3	K33 E34 V35 F36 D37 D45 V46 L47	K33-K43 PolarHBondContact O-NZ 2.85Å; E34-K43 WeakPolarHBondContact O-CD 3.39Å; V35-K43 PolarHBondContact O-N 3.09Å; F36-K43 WeakPolarHBondContact O-CE 3.37Å; F36-K43 PolarHBondContact O-NZ 2.66Å; D37-K43 HydrophobicContact CB-CG 4.42Å; K43-D45 PolarHBondContact O-N 3.15Å; K43-V46 HydrophobicContact CB-CB 4.11Å; K43-V46 HydrophobicContact CB-CG2 3.95Å; K43-V46 HydrophobicContact CD-CG2 4.39Å; K43-V46 WeakPolarHBondContact O-CB 3.42Å; K43-V46 PolarHBondContact O-N 2.76Å; K43-L47 PolarHBondContact O-N 2.91Å; K43-L47 VanDerWaalsContact O-N 3.1Å
44	V	98	Very high	98.1	Very high	13 Å²	13	54.6 Å²	54.6	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-30.3	-172.1	-65.8	0	0	0	0	113.9	P42 L47 K48 Y133 A136 L137 L140	P42-V44 VanDerWaalsContact C-N 3.34Å; P42-V44 HydrophobicContact CG-CG1 4.48Å; P42-V44 PolarHBondContact O-N 3.04Å; V44-L47 PolarHBondContact O-N 2.73Å; V44-K48 VanDerWaalsContact O-CB 3.26Å; V44-K48 WeakPolarHBondContact O-CB 3.46Å; V44-K48 PolarHBondContact O-N 2.74Å; V44-Y133 HydrophobicContact CB-CE2 4.28Å; V44-A136 HydrophobicContact CG1-CB 4.12Å; V44-L137 HydrophobicContact CB-CD2 4.3Å; V44-L137 HydrophobicContact CG1-CD2 4.02Å; V44-L137 HydrophobicContact CG2-CD2 4.43Å; V44-L140 HydrophobicContact CB-CD2 4.4Å; V44-L140 HydrophobicContact CG1-CD2 3.76Å; V44-L140 HydrophobicContact CG2-CD2 3.71Å
45	D	98.1	Very high	98.1	Very high	128 Å²	128	51.4 Å²	51.4	68%	0.684	28%	0.281	S	S	*	.	H	α-helix	trans	-68.3	-38.8	175.9	-65.3	-42.4	0	0	0	112.6	K43 A49	K43-D45 PolarHBondContact O-N 3.15Å; D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.45Å; D45-A49 PolarHBondContact O-N 3.32Å
46	V	98.6	Very high	98.1	Very high	59 Å²	59	54.4 Å²	54.4	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-45.7	175.3	177.3	0	0	0	0	109.6	L30 K43 A49 H50	L30-V46 HydrophobicContact CD1-CG1 3.99Å; K43-V46 HydrophobicContact CB-CB 4.11Å; K43-V46 HydrophobicContact CB-CG2 3.95Å; K43-V46 HydrophobicContact CD-CG2 4.39Å; K43-V46 WeakPolarHBondContact O-CB 3.42Å; K43-V46 PolarHBondContact O-N 2.76Å; V46-A49 PolarHBondContact O-N 3.38Å; V46-H50 WeakPolarHBondContact O-CB 3.48Å; V46-H50 PolarHBondContact O-N 3.44Å; V46-H50 VanDerWaalsContact O-N 3.13Å
47	L	98.6	Very high	98.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-50.8	177.9	-173.6	62.6	0	0	0	110.8	K43 V44 A49 H50 L51 V57 L65 Y133 A136	K43-L47 PolarHBondContact O-N 2.91Å; K43-L47 VanDerWaalsContact O-N 3.1Å; V44-L47 PolarHBondContact O-N 2.73Å; L47-A49 PolarHBondContact O-N 3.45Å; L47-H50 PolarHBondContact O-N 2.68Å; L47-L51 HydrophobicContact CD1-CD1 3.98Å; L47-L51 HydrophobicContact CD1-CD2 4.3Å; L47-L51 HydrophobicContact CD1-CG 4Å; L47-L51 HydrophobicContact CD2-CD1 4.48Å; L47-L51 HydrophobicContact CG-CD1 3.84Å; L47-L51 HydrophobicContact CG-CG 4.2Å; L47-L51 VanDerWaalsContact O-CG 3.29Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.41Å; L47-V57 HydrophobicContact CD1-CG1 3.69Å; L47-L65 HydrophobicContact CD2-CD1 4.08Å; L47-Y133 HydrophobicContact CD2-CD2 4.35Å; L47-A136 HydrophobicContact CD2-CB 3.61Å
48	K	98.7	Very high	98.2	Very high	64 Å²	64	53.8 Å²	53.8	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-52.1	-54.6	175.8	175.5	173.9	173.9	177.2	0	111.4	V44 H50 L51 T52 M100 Y133	V44-K48 VanDerWaalsContact O-CB 3.26Å; V44-K48 WeakPolarHBondContact O-CB 3.46Å; V44-K48 PolarHBondContact O-N 2.74Å; K48-H50 PolarHBondContact O-N 2.98Å; K48-L51 PolarHBondContact O-N 3.05Å; K48-T52 WeakPolarHBondContact O-CB 3.38Å; K48-T52 PolarHBondContact O-N 3Å; K48-T52 PolarHBondContact O-OG1 2.86Å; K48-M100 HydrophobicContact CD-SD 3.77Å; K48-M100 VanDerWaalsContact CE-SD 3.54Å; K48-M100 HydrophobicContact CG-SD 3.71Å; K48-Y133 HydrophobicContact CB-CD2 4.44Å; K48-Y133 HydrophobicContact CB-CE2 3.68Å; K48-Y133 HydrophobicContact CG-CE2 4.48Å
49	A	98.6	Very high	98.3	Very high	51 Å²	51	50.8 Å²	50.8	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-31	-176.1	0	0	0	0	0	113.2	D45 V46 L47 K53	D45-A49 VanDerWaalsContact O-CB 3.29Å; D45-A49 WeakPolarHBondContact O-CB 3.45Å; D45-A49 PolarHBondContact O-N 3.32Å; V46-A49 PolarHBondContact O-N 3.38Å; L47-A49 PolarHBondContact O-N 3.45Å; A49-K53 WeakPolarHBondContact O-CG 3.24Å
50	H	98.8	Very high	98.4	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-79.1	-47.4	177.7	-166.1	71.3	0	0	0	112.2	H28 L30 V46 L47 K48 T52 K53 G55 R56	H28-H50 PolarHBondContact O-CE1 2.73Å; H28-H50 VanDerWaalsContact O-CE1 3.24Å; H28-H50 PolarHBondContact O-NE2 3.26Å; L30-H50 HydrophobicContact CD1-CB 3.57Å; L30-H50 HydrophobicContact CG-CB 4.24Å; V46-H50 WeakPolarHBondContact O-CB 3.48Å; V46-H50 PolarHBondContact O-N 3.44Å; V46-H50 VanDerWaalsContact O-N 3.13Å; L47-H50 PolarHBondContact O-N 2.68Å; K48-H50 PolarHBondContact O-N 2.98Å; H50-T52 VanDerWaalsContact C-N 3.34Å; H50-T52 PolarHBondContact O-N 3.48Å; H50-K53 CarbonylContact O-C 3.45Å; H50-K53 PolarHBondContact O-N 3.5Å; H50-G55 VanDerWaalsContact CD2-CA 3.49Å; H50-G55 WeakPolarHBondContact CD2-CA 3.27Å; H50-G55 VanDerWaalsContact NE2-C 3.3Å; H50-G55 VanDerWaalsContact NE2-CA 3.32Å; H50-G55 WeakPolarHBondContact NE2-CA 3.35Å; H50-G55 WeakPolarHBondContact O-CA 3.4Å; H50-G55 PolarHBondContact O-N 3.16Å; H50-R56 PolarHBondContact CD2-O 3.01Å; H50-R56 PolarHBondContact NE2-N 3.04Å; H50-R56 PolarHBondContact NE2-O 2.89Å
51	L	98.8	Very high	98.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-36.8	179.4	-63.4	-176.5	0	0	0	111.9	L47 K48 K53 E54 G55 F96 E129	L47-L51 HydrophobicContact CD1-CD1 3.98Å; L47-L51 HydrophobicContact CD1-CD2 4.3Å; L47-L51 HydrophobicContact CD1-CG 4Å; L47-L51 HydrophobicContact CD2-CD1 4.48Å; L47-L51 HydrophobicContact CG-CD1 3.84Å; L47-L51 HydrophobicContact CG-CG 4.2Å; L47-L51 VanDerWaalsContact O-CG 3.29Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.41Å; K48-L51 PolarHBondContact O-N 3.05Å; L51-K53 PolarHBondContact O-N 3.42Å; L51-K53 VanDerWaalsContact O-N 3.15Å; L51-E54 PolarHBondContact O-N 3.41Å; L51-G55 WeakPolarHBondContact CD2-O 3.48Å; L51-F96 HydrophobicContact CB-CE1 3.7Å; L51-F96 HydrophobicContact CB-CE2 4.34Å; L51-F96 HydrophobicContact CB-CZ 3.52Å; L51-F96 HydrophobicContact CD1-CE2 4.18Å; L51-F96 HydrophobicContact CD1-CZ 4.09Å; L51-F96 HydrophobicContact CG-CZ 4.47Å; L51-E129 HydrophobicContact CB-CB 4.5Å; L51-E129 HydrophobicContact CB-CG 4.31Å; L51-E129 HydrophobicContact CD1-CB 4.22Å; L51-E129 HydrophobicContact CD2-CG 4.04Å; L51-E129 HydrophobicContact CG-CG 4.5Å
52	T	98.4	Very high	98.6	Very high	55 Å²	55	43.1 Å²	43.1	34%	0.337	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.8	174.3	-58	0	0	0	0	112.9	K48 H50 F97	K48-T52 WeakPolarHBondContact O-CB 3.38Å; K48-T52 PolarHBondContact O-N 3Å; K48-T52 PolarHBondContact O-OG1 2.86Å; H50-T52 VanDerWaalsContact C-N 3.34Å; H50-T52 PolarHBondContact O-N 3.48Å; T52-F97 HydrophobicContact CG2-CE1 4.12Å; T52-F97 WeakPolarHBondContact O-CE1 3.47Å
53	K	98.6	Very high	98.7	Very high	133 Å²	133	44.9 Å²	44.9	58%	0.578	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	14.1	174.1	-63.2	175.1	-175.7	174.1	0	112.5	P25 P26 A49 H50 L51 G55	P25-K53 WeakPolarHBondContact CA-O 3.04Å; P26-K53 WeakPolarHBondContact CD-O 3.41Å; P26-K53 HydrophobicContact CG-CB 4.01Å; A49-K53 WeakPolarHBondContact O-CG 3.24Å; H50-K53 CarbonylContact O-C 3.45Å; H50-K53 PolarHBondContact O-N 3.5Å; L51-K53 PolarHBondContact O-N 3.42Å; L51-K53 VanDerWaalsContact O-N 3.15Å; K53-G55 PolarHBondContact O-N 2.93Å
54	E	98.7	Very high	98.7	Very high	45 Å²	45	45.4 Å²	45.4	21%	0.21	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	18.7	-174.6	-49.9	176.3	86.6	0	0	113.5	P25 L51 F126 P341	P25-E54 HydrophobicContact CB-CB 4.06Å; P25-E54 HydrophobicContact CG-CB 4.13Å; L51-E54 PolarHBondContact O-N 3.41Å; E54-F126 HydrophobicContact CG-CE1 4.49Å; E54-P341 HydrophobicContact CG-CB 4.18Å; E54-P341 HydrophobicContact CG-CG 3.62Å; E54-P341 WeakPolarHBondContact OE1-CB 3.41Å; E54-P341 WeakPolarHBondContact OE2-CB 3.09Å; E54-P341 WeakPolarHBondContact OE2-CG 3.44Å
55	G	98.6	Very high	98.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.			trans	-69.9	147.1	174.6	0	0	0	0	0	110.8	H50 L51 K53	H50-G55 VanDerWaalsContact CD2-CA 3.49Å; H50-G55 WeakPolarHBondContact CD2-CA 3.27Å; H50-G55 VanDerWaalsContact NE2-C 3.3Å; H50-G55 VanDerWaalsContact NE2-CA 3.32Å; H50-G55 WeakPolarHBondContact NE2-CA 3.35Å; H50-G55 WeakPolarHBondContact O-CA 3.4Å; H50-G55 PolarHBondContact O-N 3.16Å; L51-G55 WeakPolarHBondContact CD2-O 3.48Å; K53-G55 PolarHBondContact O-N 2.93Å
56	R	98.9	Very high	98.8	Very high	62 Å²	62	38.7 Å²	38.7	23%	0.234	20%	0.2	C	C	.	.			trans	-107.9	158	178.4	-60.2	175.6	-172.2	175.5	1.4	110.8	R29 L30 H50 I169 K170 Y171	R29-R56 WeakPolarHBondContact CA-O 3.38Å; R29-R56 HydrophobicContact CG-CB 4.32Å; L30-R56 PolarHBondContact N-O 3.01Å; L30-R56 VanDerWaalsContact N-O 3.15Å; H50-R56 PolarHBondContact CD2-O 3.01Å; H50-R56 PolarHBondContact NE2-N 3.04Å; H50-R56 PolarHBondContact NE2-O 2.89Å; R56-I169 PolarHBondContact NH1-O 3Å; R56-K170 WeakPolarHBondContact CD-O 3.47Å; R56-K170 PolarHBondContact NH1-O 3.44Å; R56-Y171 HydrophobicContact CB-CE1 4.43Å
57	V	98.9	Very high	98.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-94.8	167.4	169	-55.9	0	0	0	0	110.2	R29 L30 V35 L47 V61 A62 L132 Y171	R29-V57 PolarHBondContact NH1-O 3.02Å; R29-V57 VanDerWaalsContact NH1-O 3.08Å; L30-V57 HydrophobicContact CB-CG1 4.17Å; V35-V57 HydrophobicContact CG2-CG1 4.25Å; L47-V57 HydrophobicContact CD1-CG1 3.69Å; V57-V61 HydrophobicContact CB-CB 4.09Å; V57-V61 HydrophobicContact CB-CG1 3.89Å; V57-V61 HydrophobicContact CG1-CG1 4.33Å; V57-V61 HydrophobicContact CG2-CB 4.14Å; V57-V61 HydrophobicContact CG2-CG1 4.04Å; V57-A62 HydrophobicContact CG2-CB 3.81Å; V57-L132 HydrophobicContact CG2-CD1 4.16Å; V57-Y171 HydrophobicContact CG2-CE1 3.98Å; V57-Y171 PolarHBondContact N-OH 3.29Å; V57-Y171 WeakPolarHBondContact O-CE1 3.42Å
58	D	98.8	Very high	98.8	Very high	51 Å²	51	40.7 Å²	40.7	27%	0.273	22%	0.216	S	C	.	.			trans	-61.5	146.5	167.5	-80.1	-24.4	0	0	0	110.6	R29 L30 S60 V61 A62	R29-D58 VanDerWaalsContact CB-OD1 3.31Å; R29-D58 WeakPolarHBondContact CB-OD1 3.32Å; L30-D58 PolarHBondContact O-N 3.32Å; D58-S60 PolarHBondContact O-N 3.2Å; D58-V61 HydrophobicContact CB-CB 4.39Å; D58-V61 HydrophobicContact CB-CG2 4.03Å; D58-V61 WeakPolarHBondContact O-CA 3.27Å; D58-V61 WeakPolarHBondContact O-CB 3.27Å; D58-V61 PolarHBondContact O-N 2.84Å; D58-A62 PolarHBondContact O-N 3.42Å
59	E	98.8	Very high	98.8	Very high	56 Å²	56	37.7 Å²	37.7	26%	0.262	20%	0.203	S	C	.	.	H	α-helix	trans	-55.2	-41.7	179.5	-179.7	176.7	128.4	0	0	111.5	V61 A62 L63 S172 R174 V175	E59-V61 PolarHBondContact O-N 3.01Å; E59-A62 PolarHBondContact O-N 2.9Å; E59-L63 HydrophobicContact CG-CD1 3.94Å; E59-L63 HydrophobicContact CG-CG 4.28Å; E59-L63 WeakPolarHBondContact O-CB 3.48Å; E59-L63 VanDerWaalsContact O-CG 3.31Å; E59-L63 WeakPolarHBondContact O-CG 3.37Å; E59-L63 PolarHBondContact O-N 2.95Å; E59-S172 PolarHBondContact OE1-OG 3.09Å; E59-S172 VanDerWaalsContact OE2-CB 3.31Å; E59-S172 WeakPolarHBondContact OE2-CB 3.43Å; E59-S172 PolarHBondContact OE2-OG 2.94Å; E59-R174 IonicContact OE1-CZ 3.12Å; E59-R174 IonicContact OE1-NE 2.73Å; E59-R174 IonicContact OE1-NH1 3.38Å; E59-R174 PolarHBondContact OE1-NH1 3.48Å; E59-V175 HydrophobicContact CG-CG2 3.86Å
60	S	98.8	Very high	98.8	Very high	82 Å²	82	35.5 Å²	35.5	57%	0.573	19%	0.185	S	C	*	.	H	α-helix	trans	-62.9	-29.7	176.8	56.3	0	0	0	0	113.2	D58 R64	D58-S60 PolarHBondContact O-N 3.2Å; S60-R64 VanDerWaalsContact O-CB 3.27Å; S60-R64 WeakPolarHBondContact O-CB 3.48Å; S60-R64 PolarHBondContact O-N 3.38Å; S60-R64 VanDerWaalsContact O-N 3.08Å
61	V	98.9	Very high	98.8	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-75.1	-43.7	176.3	173.6	0	0	0	0	110.5	A32 V35 F36 V57 D58 E59 R64 L65	A32-V61 HydrophobicContact CB-CG2 3.97Å; A32-V61 VanDerWaalsContact N-CG2 3.32Å; V35-V61 HydrophobicContact CB-CG1 3.87Å; V35-V61 HydrophobicContact CG1-CG1 3.88Å; V35-V61 HydrophobicContact CG2-CG1 3.79Å; F36-V61 HydrophobicContact CE2-CG1 4.09Å; V57-V61 HydrophobicContact CB-CB 4.09Å; V57-V61 HydrophobicContact CB-CG1 3.89Å; V57-V61 HydrophobicContact CG1-CG1 4.33Å; V57-V61 HydrophobicContact CG2-CB 4.14Å; V57-V61 HydrophobicContact CG2-CG1 4.04Å; D58-V61 HydrophobicContact CB-CB 4.39Å; D58-V61 HydrophobicContact CB-CG2 4.03Å; D58-V61 WeakPolarHBondContact O-CA 3.27Å; D58-V61 WeakPolarHBondContact O-CB 3.27Å; D58-V61 PolarHBondContact O-N 2.84Å; E59-V61 PolarHBondContact O-N 3.01Å; V61-R64 PolarHBondContact O-N 2.9Å; V61-L65 HydrophobicContact CG1-CD1 4.37Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 2.77Å
62	A	98.9	Very high	98.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-51.7	174	0	0	0	0	0	111	V57 D58 E59 R64 L65 I66 L132 Y171 V175	V57-A62 HydrophobicContact CG2-CB 3.81Å; D58-A62 PolarHBondContact O-N 3.42Å; E59-A62 PolarHBondContact O-N 2.9Å; A62-R64 VanDerWaalsContact C-N 3.27Å; A62-R64 PolarHBondContact O-N 3Å; A62-L65 PolarHBondContact O-N 3.08Å; A62-I66 WeakPolarHBondContact O-CD1 3.35Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.34Å; A62-I66 PolarHBondContact O-N 3.22Å; A62-L132 HydrophobicContact CB-CD1 4.45Å; A62-L132 HydrophobicContact CB-CD2 3.87Å; A62-Y171 HydrophobicContact CB-CD1 4.24Å; A62-Y171 HydrophobicContact CB-CE1 4.04Å; A62-V175 HydrophobicContact CB-CG2 4.41Å
63	L	98.9	Very high	98.8	Very high	41 Å²	41	36.2 Å²	36.2	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-38.4	177.2	-69.9	172.6	0	0	0	112.2	E59 G67 V175 A178	E59-L63 HydrophobicContact CG-CD1 3.94Å; E59-L63 HydrophobicContact CG-CG 4.28Å; E59-L63 WeakPolarHBondContact O-CB 3.48Å; E59-L63 VanDerWaalsContact O-CG 3.31Å; E59-L63 WeakPolarHBondContact O-CG 3.37Å; E59-L63 PolarHBondContact O-N 2.95Å; L63-G67 PolarHBondContact O-N 3.16Å; L63-V175 HydrophobicContact CD2-CG2 4.06Å; L63-V175 HydrophobicContact CG-CG2 4.22Å; L63-A178 HydrophobicContact CD2-CB 3.64Å
64	R	98.8	Very high	98.9	Very high	90 Å²	90	36 Å²	36	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-65.7	-47.5	176.6	-178	175.4	174.5	-161.6	-7.4	112.2	F36 S60 V61 A62 I66 G67 E68	F36-R64 HydrophobicContact CE2-CG 4.19Å; F36-R64 HydrophobicContact CZ-CB 4.34Å; F36-R64 HydrophobicContact CZ-CG 3.8Å; S60-R64 VanDerWaalsContact O-CB 3.27Å; S60-R64 WeakPolarHBondContact O-CB 3.48Å; S60-R64 PolarHBondContact O-N 3.38Å; S60-R64 VanDerWaalsContact O-N 3.08Å; V61-R64 PolarHBondContact O-N 2.9Å; A62-R64 VanDerWaalsContact C-N 3.27Å; A62-R64 PolarHBondContact O-N 3Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 2.97Å; R64-G67 PolarHBondContact O-N 3.04Å; R64-E68 HydrophobicContact CG-CG 4.33Å; R64-E68 WeakPolarHBondContact CG-OE1 3.29Å; R64-E68 IonicContact CZ-OE1 3.87Å; R64-E68 IonicContact NE-OE1 3.93Å; R64-E68 PolarHBondContact NE-OE1 3.47Å; R64-E68 IonicContact NH2-OE1 3.56Å; R64-E68 PolarHBondContact NH2-OE1 3.3Å; R64-E68 VanDerWaalsContact NH2-OE1 3.12Å; R64-E68 WeakPolarHBondContact O-CB 3.49Å; R64-E68 WeakPolarHBondContact O-CG 3.37Å; R64-E68 PolarHBondContact O-N 3.26Å
65	L	98.9	Very high	98.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-45.3	176.8	-72.8	171.6	0	0	0	111.4	V35 F36 P42 L47 V61 A62 G69 L132 A136 I139	V35-L65 HydrophobicContact CG1-CD1 4.33Å; F36-L65 HydrophobicContact CE1-CD2 3.88Å; F36-L65 HydrophobicContact CZ-CD2 3.61Å; F36-L65 HydrophobicContact CZ-CG 3.93Å; P42-L65 HydrophobicContact CB-CD2 4.09Å; L47-L65 HydrophobicContact CD2-CD1 4.08Å; V61-L65 HydrophobicContact CG1-CD1 4.37Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 2.77Å; A62-L65 PolarHBondContact O-N 3.08Å; L65-G69 PolarHBondContact O-N 2.91Å; L65-L132 HydrophobicContact CB-CD2 4.3Å; L65-L132 HydrophobicContact CD1-CD2 4.22Å; L65-A136 HydrophobicContact CD2-CB 3.97Å; L65-I139 HydrophobicContact CD2-CD1 4.02Å; L65-I139 WeakPolarHBondContact O-CD1 3.32Å
66	I	98.9	Very high	98.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-49.2	179.2	-65.2	160	0	0	0	110.3	A62 R64 G69 A70 L132 V175 A178 C179 A182	A62-I66 WeakPolarHBondContact O-CD1 3.35Å; A62-I66 VanDerWaalsContact O-CG1 3.26Å; A62-I66 WeakPolarHBondContact O-CG1 3.34Å; A62-I66 PolarHBondContact O-N 3.22Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 2.97Å; I66-G69 PolarHBondContact O-N 3.48Å; I66-A70 VanDerWaalsContact O-CB 3.25Å; I66-A70 WeakPolarHBondContact O-CB 3.21Å; I66-A70 PolarHBondContact O-N 2.96Å; I66-L132 HydrophobicContact CD1-CD2 4.2Å; I66-L132 HydrophobicContact CG1-CD2 4.11Å; I66-V175 HydrophobicContact CD1-CG1 3.78Å; I66-A178 HydrophobicContact CG2-CB 3.99Å; I66-A178 VanDerWaalsContact CG2-O 3.29Å; I66-A178 WeakPolarHBondContact CG2-O 3.47Å; I66-C179 VanDerWaalsContact CD1-SG 3.56Å; I66-A182 HydrophobicContact CG2-CB 3.76Å
67	G	98.9	Very high	98.9	Very high	41 Å²	41	42.5 Å²	42.5	42%	0.423	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-43.6	-178.7	0	0	0	0	0	114.1	L63 R64 A70 A71	L63-G67 PolarHBondContact O-N 3.16Å; R64-G67 PolarHBondContact O-N 3.04Å; G67-A70 PolarHBondContact O-N 3.3Å; G67-A71 PolarHBondContact O-N 3.43Å
68	E	98.9	Very high	98.9	Very high	60 Å²	60	43.2 Å²	43.2	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-42.3	177	-74.7	-175.6	-163.8	0	0	111.7	R64 A71 I72 I139	R64-E68 HydrophobicContact CG-CG 4.33Å; R64-E68 WeakPolarHBondContact CG-OE1 3.29Å; R64-E68 IonicContact CZ-OE1 3.87Å; R64-E68 IonicContact NE-OE1 3.93Å; R64-E68 PolarHBondContact NE-OE1 3.47Å; R64-E68 IonicContact NH2-OE1 3.56Å; R64-E68 PolarHBondContact NH2-OE1 3.3Å; R64-E68 VanDerWaalsContact NH2-OE1 3.12Å; R64-E68 WeakPolarHBondContact O-CB 3.49Å; R64-E68 WeakPolarHBondContact O-CG 3.37Å; R64-E68 PolarHBondContact O-N 3.26Å; E68-A71 PolarHBondContact O-N 2.88Å; E68-I72 PolarHBondContact O-N 3.05Å; E68-I139 HydrophobicContact CB-CD1 3.62Å; E68-I139 HydrophobicContact CB-CG1 3.99Å
69	G	98.9	Very high	98.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-41.9	174.7	0	0	0	0	0	112.3	L65 I66 A71 I72 L73	L65-G69 PolarHBondContact O-N 2.91Å; I66-G69 PolarHBondContact O-N 3.48Å; G69-A71 VanDerWaalsContact C-N 3.32Å; G69-A71 PolarHBondContact O-N 2.93Å; G69-I72 PolarHBondContact O-N 2.98Å; G69-L73 WeakPolarHBondContact O-CG 3.48Å; G69-L73 PolarHBondContact O-N 3.1Å
70	A	98.9	Very high	98.9	Very high	6 Å²	6	38.6 Å²	38.6	5%	0.05	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-40.9	174.9	0	0	0	0	0	112.3	I66 G67 I72 L73 R74 A182	I66-A70 VanDerWaalsContact O-CB 3.25Å; I66-A70 WeakPolarHBondContact O-CB 3.21Å; I66-A70 PolarHBondContact O-N 2.96Å; G67-A70 PolarHBondContact O-N 3.3Å; A70-I72 VanDerWaalsContact C-N 3.3Å; A70-I72 PolarHBondContact O-N 2.88Å; A70-L73 PolarHBondContact O-N 2.86Å; A70-R74 VanDerWaalsContact O-CB 3.27Å; A70-R74 WeakPolarHBondContact O-CB 3.19Å; A70-R74 PolarHBondContact O-N 2.87Å; A70-A182 HydrophobicContact CB-CB 3.68Å
71	A	98.9	Very high	98.9	Very high	53 Å²	53	37.9 Å²	37.9	44%	0.438	20%	0.202	S	C	.	.	H	α-helix	trans	-61.4	-39	177.2	0	0	0	0	0	112.1	G67 E68 G69 S75	G67-A71 PolarHBondContact O-N 3.43Å; E68-A71 PolarHBondContact O-N 2.88Å; G69-A71 VanDerWaalsContact C-N 3.32Å; G69-A71 PolarHBondContact O-N 2.93Å; A71-S75 PolarHBondContact O-N 2.87Å
72	I	98.9	Very high	98.9	Very high	39 Å²	39	38.1 Å²	38.1	20%	0.2	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-53.2	174.7	-63.1	164.7	0	0	0	109.8	E68 G69 A70 R74 S75 E76 K138 I139 P142	E68-I72 PolarHBondContact O-N 3.05Å; G69-I72 PolarHBondContact O-N 2.98Å; A70-I72 VanDerWaalsContact C-N 3.3Å; A70-I72 PolarHBondContact O-N 2.88Å; I72-R74 VanDerWaalsContact C-N 3.26Å; I72-R74 PolarHBondContact O-N 2.74Å; I72-S75 WeakPolarHBondContact O-CB 3.45Å; I72-S75 PolarHBondContact O-N 2.76Å; I72-S75 PolarHBondContact O-OG 3.06Å; I72-E76 PolarHBondContact O-N 3.09Å; I72-K138 HydrophobicContact CG2-CD 4.48Å; I72-K138 VanDerWaalsContact CG2-CE 3.46Å; I72-K138 HydrophobicContact CG2-CG 4.37Å; I72-I139 HydrophobicContact CD1-CB 4.3Å; I72-I139 HydrophobicContact CD1-CG1 4.04Å; I72-P142 HydrophobicContact CD1-CB 4.4Å; I72-P142 HydrophobicContact CG2-CB 3.98Å
73	L	98.9	Very high	98.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-38.4	-179	-67.2	168.1	0	0	0	112.3	G69 A70 S75 E76 W135 K138 L147 C185 L186 R218	G69-L73 WeakPolarHBondContact O-CG 3.48Å; G69-L73 PolarHBondContact O-N 3.1Å; A70-L73 PolarHBondContact O-N 2.86Å; L73-S75 PolarHBondContact O-N 2.84Å; L73-E76 WeakPolarHBondContact O-CB 3.22Å; L73-E76 PolarHBondContact O-N 3.02Å; L73-W135 HydrophobicContact CD1-CZ2 3.89Å; L73-K138 HydrophobicContact CD2-CD 4.28Å; L73-K138 HydrophobicContact CD2-CG 4.4Å; L73-L147 HydrophobicContact CD2-CB 4.34Å; L73-C185 CarbonylContact C-O 3.54Å; L73-C185 HydrophobicContact CB-CB 3.94Å; L73-L186 HydrophobicContact CD1-CD2 3.68Å; L73-L186 HydrophobicContact CD1-CG 4.27Å; L73-L186 HydrophobicContact CD2-CD2 4.06Å; L73-L186 HydrophobicContact CG-CD2 4.47Å; L73-R218 PolarHBondContact O-NH2 3.09Å
74	R	98.8	Very high	98.7	Very high	130 Å²	130	44.2 Å²	44.2	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-33.1	177	-172.2	176.7	-62.4	127.9	2.6	112.9	A70 I72 E76 C185 F219	A70-R74 VanDerWaalsContact O-CB 3.27Å; A70-R74 WeakPolarHBondContact O-CB 3.19Å; A70-R74 PolarHBondContact O-N 2.87Å; I72-R74 VanDerWaalsContact C-N 3.26Å; I72-R74 PolarHBondContact O-N 2.74Å; R74-E76 VanDerWaalsContact C-N 3.28Å; R74-C185 HydrophobicContact CB-CB 4.14Å; R74-C185 PolarHBondContact NE-SG 3.48Å; R74-C185 PolarHBondContact NH2-SG 2.92Å; R74-F219 HydrophobicContact CB-CE1 4.36Å; R74-F219 HydrophobicContact CG-CE1 3.82Å; R74-F219 HydrophobicContact CG-CZ 4.17Å
75	S	98.8	Very high	98.6	Very high	95 Å²	95	43 Å²	43	66%	0.664	24%	0.239	S	C	*	.	H	α-helix	trans	-77.6	-12.8	177.5	76.1	0	0	0	0	113.7	A71 I72 L73	A71-S75 PolarHBondContact O-N 2.87Å; I72-S75 WeakPolarHBondContact O-CB 3.45Å; I72-S75 PolarHBondContact O-N 2.76Å; I72-S75 PolarHBondContact O-OG 3.06Å; L73-S75 PolarHBondContact O-N 2.84Å
76	E	98.9	Very high	98.6	Very high	22 Å²	22	43.1 Å²	43.1	10%	0.103	24%	0.24	C	C	.	.	S	Bend	trans	-81.6	156.4	179.5	-58.8	-170.4	135.2	0	0	111.7	I72 L73 R74 L80 K138 P187 R218	I72-E76 PolarHBondContact O-N 3.09Å; L73-E76 WeakPolarHBondContact O-CB 3.22Å; L73-E76 PolarHBondContact O-N 3.02Å; R74-E76 VanDerWaalsContact C-N 3.28Å; E76-L80 HydrophobicContact CB-CD2 3.8Å; E76-K138 IonicContact OE1-NZ 3.15Å; E76-K138 PolarHBondContact OE1-NZ 3.32Å; E76-K138 IonicContact OE2-NZ 3.78Å; E76-K138 PolarHBondContact OE2-NZ 3.07Å; E76-P187 HydrophobicContact CB-CG 4.01Å; E76-R218 VanDerWaalsContact O-CZ 3.32Å; E76-R218 PolarHBondContact O-NH1 2.87Å; E76-R218 PolarHBondContact O-NH2 2.76Å
77	K	98.8	Very high	98.6	Very high	126 Å²	126	43.2 Å²	43.2	55%	0.548	24%	0.241	S	C	.	.			trans	-73.3	162.8	177.1	-57.9	179.5	-166.6	167.8	0	110.5	L79 D81 P187	K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 WeakPolarHBondContact CB-O 3.36Å; K77-D81 IonicContact NZ-OD2 3.58Å; K77-D81 PolarHBondContact NZ-OD2 3.41Å; K77-P187 WeakPolarHBondContact O-CB 3.3Å
78	N	98.8	Very high	98.6	Very high	14 Å²	14	41.2 Å²	41.2	8%	0.075	22%	0.221	C	C	.	.	S	Bend	trans	-61.2	-43.8	170.3	-67.2	0	0	0	0	112.5	L188 A189 I213 L216 R218	N78-L188 PolarHBondContact O-N 3.44Å; N78-A189 PolarHBondContact O-N 3.16Å; N78-I213 WeakPolarHBondContact CB-O 3.29Å; N78-I213 PolarHBondContact ND2-O 3.05Å; N78-L216 PolarHBondContact ND2-O 2.79Å; N78-R218 VanDerWaalsContact OD1-CD 3.24Å; N78-R218 WeakPolarHBondContact OD1-CD 3.31Å; N78-R218 WeakPolarHBondContact OD1-CG 3.46Å; N78-R218 PolarHBondContact OD1-NH1 3.05Å
79	L	98.9	Very high	98.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.5	175.8	179.2	65.5	0	0	0	107.8	K77 A189 L191 L197 L210 I213 R214	K77-L79 VanDerWaalsContact C-N 3.34Å; K77-L79 WeakPolarHBondContact CB-O 3.36Å; L79-A189 WeakPolarHBondContact CA-O 3.4Å; L79-A189 HydrophobicContact CD1-CB 3.55Å; L79-L191 HydrophobicContact CD1-CB 4.17Å; L79-L191 HydrophobicContact CD2-CB 4.47Å; L79-L191 HydrophobicContact CG-CB 4.34Å; L79-L197 HydrophobicContact CD1-CD1 4.14Å; L79-L210 HydrophobicContact CD2-CB 3.9Å; L79-L210 HydrophobicContact CD2-CD2 4.1Å; L79-L210 HydrophobicContact CD2-CG 4.41Å; L79-I213 HydrophobicContact CB-CG2 4.23Å; L79-R214 HydrophobicContact CB-CG 4.05Å; L79-R214 HydrophobicContact CD2-CG 4.23Å
80	L	98.9	Very high	98.6	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	150.8	177	-56.8	-179.8	0	0	0	110.7	E76 I82 F146 L148 P187 A189 A190 L191	E76-L80 HydrophobicContact CB-CD2 3.8Å; L80-I82 HydrophobicContact CB-CD1 4.11Å; L80-I82 HydrophobicContact CB-CG1 4.04Å; L80-I82 HydrophobicContact CD1-CD1 4.2Å; L80-F146 HydrophobicContact CD1-CB 3.92Å; L80-F146 HydrophobicContact CD1-CD1 3.94Å; L80-F146 HydrophobicContact CD1-CG 4.25Å; L80-L148 HydrophobicContact CD1-CD2 3.82Å; L80-L148 HydrophobicContact CG-CD2 4.41Å; L80-P187 HydrophobicContact CD1-CB 4.02Å; L80-P187 HydrophobicContact CD1-CG 4.05Å; L80-P187 HydrophobicContact CD2-CB 3.98Å; L80-P187 HydrophobicContact CD2-CG 3.76Å; L80-P187 HydrophobicContact CG-CB 3.82Å; L80-P187 HydrophobicContact CG-CG 4.06Å; L80-A189 PolarHBondContact N-O 3.22Å; L80-A190 HydrophobicContact CB-CB 3.9Å; L80-A190 CarbonylContact O-C 3.55Å; L80-A190 WeakPolarHBondContact O-CA 3.25Å; L80-L191 PolarHBondContact O-N 3.15Å
81	D	98.8	Very high	98.6	Very high	68 Å²	68	38.2 Å²	38.2	36%	0.364	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.8	170.9	-62	-72.4	0	0	0	107.6	K77	K77-D81 IonicContact NZ-OD2 3.58Å; K77-D81 PolarHBondContact NZ-OD2 3.41Å
82	I	98.6	Very high	98.6	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.5	-170.8	-57	-179.7	0	0	0	110.5	L80 V86 R113 L115 F146 A190 L191 M192 N193	L80-I82 HydrophobicContact CB-CD1 4.11Å; L80-I82 HydrophobicContact CB-CG1 4.04Å; L80-I82 HydrophobicContact CD1-CD1 4.2Å; I82-V86 HydrophobicContact CG2-CG2 4.33Å; I82-R113 HydrophobicContact CG2-CG 4.44Å; I82-L115 HydrophobicContact CD1-CB 4.39Å; I82-L115 HydrophobicContact CD1-CD1 3.75Å; I82-L115 HydrophobicContact CD1-CD2 4.17Å; I82-L115 HydrophobicContact CD1-CG 4.33Å; I82-F146 HydrophobicContact CD1-CB 3.81Å; I82-F146 HydrophobicContact CD1-CD1 4.26Å; I82-F146 HydrophobicContact CD1-CD2 3.57Å; I82-F146 HydrophobicContact CD1-CE2 4.18Å; I82-F146 HydrophobicContact CD1-CG 3.61Å; I82-F146 HydrophobicContact CG1-CD2 4.03Å; I82-F146 HydrophobicContact CG1-CE2 4.12Å; I82-F146 HydrophobicContact CG1-CG 4.26Å; I82-F146 HydrophobicContact CG1-CZ 4.41Å; I82-F146 HydrophobicContact CG2-CD2 4.16Å; I82-F146 HydrophobicContact CG2-CE2 4.02Å; I82-A190 HydrophobicContact CD1-CB 3.67Å; I82-A190 HydrophobicContact CG1-CB 4.27Å; I82-L191 PolarHBondContact N-O 3.48Å; I82-M192 CarbonylContact O-C 3.44Å; I82-M192 WeakPolarHBondContact O-CA 3.29Å; I82-N193 PolarHBondContact O-N 3.36Å
83	E	97.5	Very high	98.6	Very high	140 Å²	140	34.1 Å²	34.1	65%	0.654	18%	0.177	S	C	*	.	P	Polyproline II helix	trans	-87.6	152.1	178	-64.8	179.8	174.8	0	0	112.8	R113	E83-R113 VanDerWaalsContact O-CD 3.3Å; E83-R113 WeakPolarHBondContact O-CD 3.45Å; E83-R113 PolarHBondContact O-NH1 3.23Å; E83-R113 VanDerWaalsContact O-NH1 3.09Å
84	A	96.4	Very high	98.6	Very high	30 Å²	30	34.1 Å²	34.1	25%	0.248	18%	0.177	C	C	.	.	S	Bend	trans	-68.5	156.4	167	0	0	0	0	0	111.3	N193 Y325	A84-N193 HydrophobicContact CB-CB 4.37Å; A84-Y325 HydrophobicContact CB-CD1 3.62Å; A84-Y325 HydrophobicContact CB-CE1 3.74Å
85	P	98	Very high	98.6	Very high	63 Å²	63	29 Å²	29	41%	0.409	16%	0.158	S	C	.	.	S	Bend	cis	-71.9	154.1	-5.7	31.4	-35.9	0	0	0	112.4	R113 Y325 E326	P85-R113 WeakPolarHBondContact O-CB 3.45Å; P85-R113 PolarHBondContact O-NH1 2.9Å; P85-Y325 CarbonylContact C-O 3.57Å; P85-Y325 WeakPolarHBondContact CA-O 3.45Å; P85-E326 HydrophobicContact CB-CB 3.87Å; P85-E326 HydrophobicContact CB-CG 3.91Å
86	V	98.6	Very high	98.6	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.4	178.4	62.4	0	0	0	0	111.6	I82 V88 R113 L115 M192 Y325	I82-V86 HydrophobicContact CG2-CG2 4.33Å; V86-V88 HydrophobicContact CG1-CG2 4.2Å; V86-V88 HydrophobicContact CG2-CG2 4.34Å; V86-R113 HydrophobicContact CB-CG 4.4Å; V86-R113 HydrophobicContact CG2-CG 4.14Å; V86-L115 HydrophobicContact CG2-CB 4.02Å; V86-M192 HydrophobicContact CG1-CE 4.21Å; V86-M192 HydrophobicContact CG1-CG 3.7Å; V86-M192 HydrophobicContact CG1-SD 3.77Å; V86-Y325 PolarHBondContact N-O 2.88Å; V86-Y325 PolarHBondContact O-N 3.12Å
87	T	98.9	Very high	98.6	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.5	166.1	-57.7	0	0	0	0	108.8	R113 Y114 L115 V322 L323 K324	T87-R113 PolarHBondContact N-O 3.04Å; T87-Y114 HydrophobicContact CG2-CD1 4.12Å; T87-Y114 HydrophobicContact CG2-CE1 3.63Å; T87-Y114 WeakPolarHBondContact O-CA 3.47Å; T87-L115 PolarHBondContact O-N 2.75Å; T87-V322 HydrophobicContact CG2-CB 3.85Å; T87-V322 HydrophobicContact CG2-CG1 4.41Å; T87-V322 HydrophobicContact CG2-CG2 3.92Å; T87-L323 CarbonylContact C-O 3.53Å; T87-L323 WeakPolarHBondContact CA-O 3.34Å; T87-K324 HydrophobicContact CG2-CG 4.21Å
88	V	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.1	178.2	-171.3	0	0	0	0	109.7	V86 L115 L117 I279 L323	V86-V88 HydrophobicContact CG1-CG2 4.2Å; V86-V88 HydrophobicContact CG2-CG2 4.34Å; V88-L115 CarbonylContact C-O 3.51Å; V88-L115 VanDerWaalsContact CA-O 3.29Å; V88-L115 WeakPolarHBondContact CA-O 3.39Å; V88-L115 HydrophobicContact CG1-CD2 4.29Å; V88-L115 HydrophobicContact CG1-CG 4.4Å; V88-L115 HydrophobicContact CG2-CB 4.39Å; V88-L115 HydrophobicContact CG2-CD2 4.33Å; V88-L117 HydrophobicContact CG1-CD1 3.86Å; V88-L117 HydrophobicContact CG1-CD2 3.98Å; V88-L117 HydrophobicContact CG1-CG 3.9Å; V88-I279 HydrophobicContact CG1-CG2 4.15Å; V88-L323 HydrophobicContact CB-CB 4.27Å; V88-L323 HydrophobicContact CG2-CD2 4.25Å; V88-L323 PolarHBondContact N-O 3.12Å; V88-L323 PolarHBondContact O-N 3.05Å
89	C	98.9	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.3	-174.3	-55.4	0	0	0	0	110	L102 L115 F116 L117 V322	C89-L102 HydrophobicContact CB-CD1 4.18Å; C89-L115 PolarHBondContact N-O 3.06Å; C89-F116 HydrophobicContact CB-CD1 3.55Å; C89-F116 HydrophobicContact CB-CE1 3.71Å; C89-F116 HydrophobicContact CB-CG 4.09Å; C89-F116 HydrophobicContact CB-CZ 4.36Å; C89-L117 WeakPolarHBondContact O-CB 3.36Å; C89-L117 WeakPolarHBondContact O-CG 3.43Å; C89-L117 PolarHBondContact O-N 2.96Å; C89-V322 HydrophobicContact CB-CG1 4.4Å
90	G	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.			trans	-89.1	-149.8	173.6	0	0	0	0	0	112.1	I306 S308	G90-I306 WeakPolarHBondContact CA-O 3.33Å; G90-S308 PolarHBondContact N-OG 3.02Å
91	D	98.9	Very high	98.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	11%	0.114	C	C	.	.			trans	-58.8	143.2	-175.1	-46.9	4	0	0	0	112.1	H93 D119 H200 A281 H282 F307 S308 A309	D91-H93 IonicContact OD2-NE2 3.15Å; D91-D119 HydrophobicContact CB-CB 3.95Å; D91-H200 IonicContact OD1-CE1 3.52Å; D91-H200 PolarHBondContact OD1-CE1 3.22Å; D91-H200 VanDerWaalsContact OD1-CE1 3.28Å; D91-H200 IonicContact OD1-ND1 2.77Å; D91-A281 WeakPolarHBondContact OD1-CB 3.37Å; D91-H282 PolarHBondContact OD1-N 2.88Å; D91-H282 VanDerWaalsContact OD2-CA 3.28Å; D91-H282 WeakPolarHBondContact OD2-CA 3.02Å; D91-H282 PolarHBondContact OD2-N 2.89Å; D91-F307 HydrophobicContact CB-CD2 3.9Å; D91-F307 HydrophobicContact CB-CE2 3.67Å; D91-F307 WeakPolarHBondContact OD2-CD2 3.27Å; D91-F307 WeakPolarHBondContact OD2-CE2 3.29Å; D91-S308 CarbonylContact O-C 3.57Å; D91-S308 VanDerWaalsContact O-CA 3.32Å; D91-S308 WeakPolarHBondContact O-CA 3.37Å; D91-S308 WeakPolarHBondContact O-CB 3.39Å; D91-S308 PolarHBondContact O-N 3.36Å; D91-A309 PolarHBondContact O-N 2.84Å; D91-A309 VanDerWaalsContact O-N 3.12Å
92	I	98.9	Very high	98.6	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.097	C	C	.	.			trans	-116.9	-35.5	-179.1	-55.1	-61.1	0	0	0	111.9	G94 Q95 L99 L102 F116 D119	I92-G94 VanDerWaalsContact C-N 3.34Å; I92-G94 PolarHBondContact O-N 2.77Å; I92-Q95 WeakPolarHBondContact O-CB 3.49Å; I92-Q95 PolarHBondContact O-N 2.84Å; I92-L99 HydrophobicContact CD1-CD1 4.11Å; I92-L99 HydrophobicContact CG2-CB 4.25Å; I92-L102 HydrophobicContact CD1-CD1 3.67Å; I92-F116 HydrophobicContact CD1-CD1 4.25Å; I92-F116 HydrophobicContact CD1-CE1 4.1Å; I92-F116 HydrophobicContact CG1-CD1 4.24Å; I92-F116 HydrophobicContact CG1-CE1 4.43Å; I92-D119 PolarHBondContact N-O 3.04Å
93	H	98.8	Very high	98.6	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.019	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	50	174.9	-74.1	-55	0	0	0	114.9	D91 Q95 D119 V121 D122 R123 G124 H152 Y312	D91-H93 IonicContact OD2-NE2 3.15Å; H93-Q95 PolarHBondContact O-N 2.84Å; H93-D119 IonicContact CE1-OD2 3.05Å; H93-D119 PolarHBondContact N-O 3.29Å; H93-D119 IonicContact NE2-OD2 3.64Å; H93-V121 PolarHBondContact ND1-O 3.36Å; H93-V121 VanDerWaalsContact ND1-O 3.14Å; H93-D122 CarbonylContact C-O 3.57Å; H93-D122 WeakPolarHBondContact CA-O 3.44Å; H93-R123 HydrophobicContact CB-CB 4.26Å; H93-R123 HydrophobicContact CB-CG 4.4Å; H93-G124 WeakPolarHBondContact O-CA 3.29Å; H93-G124 PolarHBondContact O-N 3.01Å; H93-H152 AromaticContact CE1-CD2 3.58Å; H93-H152 AromaticContact CE1-NE2 3.69Å; H93-Y312 HydrophobicContact CB-CE2 3.94Å; H93-Y312 AromaticContact CD2-CE2 3.47Å; H93-Y312 VanDerWaalsContact CD2-CE2 3.47Å; H93-Y312 WeakPolarHBondContact CD2-CE2 3.37Å; H93-Y312 AromaticContact CD2-CZ 3.94Å; H93-Y312 AromaticContact CG-CE2 3.83Å
94	G	98.7	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	17.4	176.7	0	0	0	0	0	115.4	I92 F96 Y120 F126	I92-G94 VanDerWaalsContact C-N 3.34Å; I92-G94 PolarHBondContact O-N 2.77Å; G94-F96 VanDerWaalsContact C-N 3.27Å; G94-F96 PolarHBondContact O-N 3.04Å; G94-F96 VanDerWaalsContact O-N 3.09Å; G94-Y120 PolarHBondContact N-O 2.93Å; G94-F126 CarbonylContact O-C 3.14Å; G94-F126 VanDerWaalsContact O-CA 3.31Å; G94-F126 WeakPolarHBondContact O-CA 3.5Å; G94-F126 VanDerWaalsContact O-CB 3.27Å; G94-F126 WeakPolarHBondContact O-CB 3.36Å; G94-F126 PolarHBondContact O-N 3Å; G94-F126 VanDerWaalsContact O-N 3.08Å
95	Q	98.9	Very high	98.7	Very high	21 Å²	21	18.6 Å²	18.6	10%	0.098	9%	0.094	C	C	.	.			trans	-84.3	65.3	174	-68.1	-175.6	-152.2	0	0	111.1	I92 H93 F97 D98 L99 P310	I92-Q95 WeakPolarHBondContact O-CB 3.49Å; I92-Q95 PolarHBondContact O-N 2.84Å; H93-Q95 PolarHBondContact O-N 2.84Å; Q95-F97 VanDerWaalsContact C-N 3.26Å; Q95-F97 PolarHBondContact O-N 3.32Å; Q95-D98 HydrophobicContact CB-CB 4.09Å; Q95-D98 PolarHBondContact NE2-OD2 2.89Å; Q95-D98 PolarHBondContact O-N 2.78Å; Q95-L99 PolarHBondContact O-N 3.26Å; Q95-P310 PolarHBondContact NE2-O 2.94Å
96	F	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55.2	-37.3	-173.9	178.2	-105.5	0	0	0	114.2	L51 G94 D98 L99 M100 F126 E129 C130 Y133	L51-F96 HydrophobicContact CB-CE1 3.7Å; L51-F96 HydrophobicContact CB-CE2 4.34Å; L51-F96 HydrophobicContact CB-CZ 3.52Å; L51-F96 HydrophobicContact CD1-CE2 4.18Å; L51-F96 HydrophobicContact CD1-CZ 4.09Å; L51-F96 HydrophobicContact CG-CZ 4.47Å; G94-F96 VanDerWaalsContact C-N 3.27Å; G94-F96 PolarHBondContact O-N 3.04Å; G94-F96 VanDerWaalsContact O-N 3.09Å; F96-D98 VanDerWaalsContact C-N 3.34Å; F96-L99 HydrophobicContact CD2-CD2 4.46Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 PolarHBondContact O-N 2.93Å; F96-M100 HydrophobicContact CD2-CE 3.99Å; F96-M100 HydrophobicContact CE1-CE 4.37Å; F96-M100 HydrophobicContact CE1-CG 4.4Å; F96-M100 HydrophobicContact CE1-SD 4.47Å; F96-M100 HydrophobicContact CE2-CE 3.44Å; F96-M100 VanDerWaalsContact CE2-CE 3.44Å; F96-M100 HydrophobicContact CE2-SD 4.4Å; F96-M100 HydrophobicContact CZ-CE 3.66Å; F96-M100 HydrophobicContact CZ-CG 4.48Å; F96-M100 HydrophobicContact CZ-SD 4.01Å; F96-M100 PolarHBondContact O-N 2.76Å; F96-M100 VanDerWaalsContact O-N 3.12Å; F96-F126 HydrophobicContact CB-CB 3.49Å; F96-F126 VanDerWaalsContact CB-CB 3.49Å; F96-F126 HydrophobicContact CB-CG 4.35Å; F96-E129 HydrophobicContact CB-CB 4.13Å; F96-E129 HydrophobicContact CD1-CB 4.18Å; F96-E129 HydrophobicContact CD2-CB 3.69Å; F96-E129 HydrophobicContact CE2-CB 4.13Å; F96-E129 HydrophobicContact CG-CB 3.72Å; F96-C130 VanDerWaalsContact CA-SG 3.52Å; F96-Y133 HydrophobicContact CE2-CD1 4.3Å; F96-Y133 HydrophobicContact CE2-CG 4.09Å
97	F	98.8	Very high	98.7	Very high	25 Å²	25	16.3 Å²	16.3	11%	0.11	8%	0.083	C	C	.	.	H	α-helix	trans	-68.8	-35.2	179.5	-67.2	-95.4	0	0	0	111.6	T52 Q95 M100 K101 F126 H340 P341	T52-F97 HydrophobicContact CG2-CE1 4.12Å; T52-F97 WeakPolarHBondContact O-CE1 3.47Å; Q95-F97 VanDerWaalsContact C-N 3.26Å; Q95-F97 PolarHBondContact O-N 3.32Å; F97-M100 WeakPolarHBondContact O-CB 3.46Å; F97-M100 PolarHBondContact O-N 3.06Å; F97-K101 PolarHBondContact O-N 2.93Å; F97-F126 HydrophobicContact CD2-CD2 4.13Å; F97-F126 HydrophobicContact CD2-CE2 4.19Å; F97-F126 HydrophobicContact CD2-CG 4.39Å; F97-F126 HydrophobicContact CD2-CZ 4.49Å; F97-F126 AromaticContact CE2-CD1 3.91Å; F97-F126 HydrophobicContact CE2-CD1 3.91Å; F97-F126 HydrophobicContact CE2-CD2 4.07Å; F97-F126 AromaticContact CE2-CE1 3.8Å; F97-F126 HydrophobicContact CE2-CE1 3.8Å; F97-F126 AromaticContact CE2-CE2 3.97Å; F97-F126 HydrophobicContact CE2-CE2 3.97Å; F97-F126 HydrophobicContact CE2-CG 4.04Å; F97-F126 AromaticContact CE2-CZ 3.84Å; F97-F126 HydrophobicContact CE2-CZ 3.84Å; F97-H340 HydrophobicContact CB-CB 4.14Å; F97-H340 HydrophobicContact CD2-CB 3.46Å; F97-H340 VanDerWaalsContact CD2-CB 3.46Å; F97-H340 HydrophobicContact CE2-CB 4.04Å; F97-H340 HydrophobicContact CG-CB 3.8Å; F97-P341 HydrophobicContact CE1-CG 4.41Å; F97-P341 HydrophobicContact CE2-CG 4.13Å; F97-P341 HydrophobicContact CZ-CG 3.71Å
98	D	98.9	Very high	98.6	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-74.8	-31.6	172.7	-62.8	-51.3	0	0	0	112.4	Q95 F96 M100 K101 L102 P310 C337 S338	Q95-D98 HydrophobicContact CB-CB 4.09Å; Q95-D98 PolarHBondContact NE2-OD2 2.89Å; Q95-D98 PolarHBondContact O-N 2.78Å; F96-D98 VanDerWaalsContact C-N 3.34Å; D98-M100 PolarHBondContact O-N 2.97Å; D98-K101 CarbonylContact O-C 3.2Å; D98-K101 WeakPolarHBondContact O-CA 3.41Å; D98-K101 WeakPolarHBondContact O-CB 3.43Å; D98-K101 PolarHBondContact O-N 3.26Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 PolarHBondContact O-N 2.87Å; D98-P310 HydrophobicContact CB-CG 3.81Å; D98-P310 VanDerWaalsContact CG-CG 3.46Å; D98-C337 VanDerWaalsContact OD1-CA 3.29Å; D98-C337 WeakPolarHBondContact OD1-CA 3.33Å; D98-S338 WeakPolarHBondContact OD1-CB 3.4Å; D98-S338 PolarHBondContact OD1-N 3.32Å; D98-S338 PolarHBondContact OD1-OG 3.15Å
99	L	98.9	Very high	98.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-35.1	170.2	178.4	65.8	0	0	0	111.4	I92 Q95 F96 K101 L102 F103 F116 C130 Y133 L134	I92-L99 HydrophobicContact CD1-CD1 4.11Å; I92-L99 HydrophobicContact CG2-CB 4.25Å; Q95-L99 PolarHBondContact O-N 3.26Å; F96-L99 HydrophobicContact CD2-CD2 4.46Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 PolarHBondContact O-N 2.93Å; L99-K101 VanDerWaalsContact C-N 3.33Å; L99-L102 HydrophobicContact CD1-CD1 4.3Å; L99-L102 HydrophobicContact CD1-CD2 4.39Å; L99-L102 WeakPolarHBondContact O-CB 3.28Å; L99-L102 PolarHBondContact O-N 2.77Å; L99-F103 HydrophobicContact CD1-CD2 4.26Å; L99-F103 HydrophobicContact CD1-CE2 3.64Å; L99-F103 HydrophobicContact CD1-CZ 4.13Å; L99-F103 HydrophobicContact CD2-CE2 4.28Å; L99-F103 HydrophobicContact CG-CD2 4.21Å; L99-F103 HydrophobicContact CG-CE2 3.74Å; L99-F103 WeakPolarHBondContact O-CD2 3.25Å; L99-F103 PolarHBondContact O-N 3.48Å; L99-F116 HydrophobicContact CD1-CE1 3.85Å; L99-F116 HydrophobicContact CD1-CZ 4.18Å; L99-C130 HydrophobicContact CD2-CB 4.36Å; L99-Y133 HydrophobicContact CD2-CD1 4.4Å; L99-L134 HydrophobicContact CD1-CD2 4.37Å; L99-L134 HydrophobicContact CD2-CD1 4.32Å; L99-L134 HydrophobicContact CD2-CD2 4.24Å; L99-L134 HydrophobicContact CD2-CG 4.06Å
100	M	98.8	Very high	98.5	Very high	13 Å²	13	23 Å²	23	6%	0.064	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-42.4	171.9	-61.9	-54.4	97.1	0	0	111.1	K48 F96 F97 D98 L102 F103 E104 Y133	K48-M100 HydrophobicContact CD-SD 3.77Å; K48-M100 VanDerWaalsContact CE-SD 3.54Å; K48-M100 HydrophobicContact CG-SD 3.71Å; F96-M100 HydrophobicContact CD2-CE 3.99Å; F96-M100 HydrophobicContact CE1-CE 4.37Å; F96-M100 HydrophobicContact CE1-CG 4.4Å; F96-M100 HydrophobicContact CE1-SD 4.47Å; F96-M100 HydrophobicContact CE2-CE 3.44Å; F96-M100 VanDerWaalsContact CE2-CE 3.44Å; F96-M100 HydrophobicContact CE2-SD 4.4Å; F96-M100 HydrophobicContact CZ-CE 3.66Å; F96-M100 HydrophobicContact CZ-CG 4.48Å; F96-M100 HydrophobicContact CZ-SD 4.01Å; F96-M100 PolarHBondContact O-N 2.76Å; F96-M100 VanDerWaalsContact O-N 3.12Å; F97-M100 WeakPolarHBondContact O-CB 3.46Å; F97-M100 PolarHBondContact O-N 3.06Å; D98-M100 PolarHBondContact O-N 2.97Å; M100-L102 VanDerWaalsContact C-N 3.34Å; M100-F103 HydrophobicContact CE-CD2 4.46Å; M100-F103 PolarHBondContact O-N 2.85Å; M100-E104 PolarHBondContact O-N 2.81Å; M100-Y133 HydrophobicContact CE-CD1 3.62Å; M100-Y133 HydrophobicContact CE-CE1 3.56Å; M100-Y133 HydrophobicContact CE-CG 4.42Å; M100-Y133 HydrophobicContact SD-CE1 4.28Å
101	K	98.6	Very high	98.5	Very high	72 Å²	72	27.8 Å²	27.8	31%	0.313	17%	0.167	S	C	.	.	H	α-helix	trans	-65.2	-38.3	176.8	-172.9	59.8	-177.6	176.8	0	112.4	F97 D98 L99 F103 E104 V105 F335	F97-K101 PolarHBondContact O-N 2.93Å; D98-K101 CarbonylContact O-C 3.2Å; D98-K101 WeakPolarHBondContact O-CA 3.41Å; D98-K101 WeakPolarHBondContact O-CB 3.43Å; D98-K101 PolarHBondContact O-N 3.26Å; L99-K101 VanDerWaalsContact C-N 3.33Å; K101-F103 VanDerWaalsContact C-N 3.31Å; K101-F103 PolarHBondContact O-N 2.96Å; K101-E104 HydrophobicContact CD-CB 4.49Å; K101-E104 VanDerWaalsContact CD-OE2 3.29Å; K101-E104 WeakPolarHBondContact CD-OE2 3.3Å; K101-E104 IonicContact NZ-OE2 2.63Å; K101-E104 PolarHBondContact NZ-OE2 2.9Å; K101-E104 WeakPolarHBondContact O-CB 3.35Å; K101-E104 PolarHBondContact O-N 3.41Å; K101-E104 VanDerWaalsContact O-N 3.12Å; K101-V105 HydrophobicContact CD-CG2 4.48Å; K101-V105 HydrophobicContact CG-CG2 4.44Å; K101-V105 WeakPolarHBondContact O-CG2 3.36Å; K101-V105 PolarHBondContact O-N 3.12Å; K101-F335 HydrophobicContact CB-CD2 4.36Å; K101-F335 HydrophobicContact CG-CB 4.44Å; K101-F335 HydrophobicContact CG-CD2 3.92Å; K101-F335 HydrophobicContact CG-CG 4.47Å
102	L	98.8	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.5	-43.9	175.4	-179.6	160.2	0	0	0	111.3	C89 I92 D98 L99 M100 V105 G106 Y114 F116 V322 F335	C89-L102 HydrophobicContact CB-CD1 4.18Å; I92-L102 HydrophobicContact CD1-CD1 3.67Å; D98-L102 WeakPolarHBondContact O-CB 3.48Å; D98-L102 PolarHBondContact O-N 2.87Å; L99-L102 HydrophobicContact CD1-CD1 4.3Å; L99-L102 HydrophobicContact CD1-CD2 4.39Å; L99-L102 WeakPolarHBondContact O-CB 3.28Å; L99-L102 PolarHBondContact O-N 2.77Å; M100-L102 VanDerWaalsContact C-N 3.34Å; L102-V105 PolarHBondContact O-N 3.01Å; L102-G106 PolarHBondContact O-N 3.39Å; L102-Y114 HydrophobicContact CD2-CE1 3.95Å; L102-F116 HydrophobicContact CD1-CE1 4.25Å; L102-F116 HydrophobicContact CD2-CE1 4.2Å; L102-F116 HydrophobicContact CD2-CZ 4.07Å; L102-V322 HydrophobicContact CD1-CG1 4Å; L102-V322 HydrophobicContact CD2-CG1 4.32Å; L102-V322 HydrophobicContact CG-CG1 3.74Å; L102-F335 HydrophobicContact CB-CE1 4.45Å; L102-F335 HydrophobicContact CB-CE2 4.42Å; L102-F335 HydrophobicContact CB-CZ 3.92Å; L102-F335 HydrophobicContact CD1-CZ 4.31Å; L102-F335 HydrophobicContact CG-CZ 4.31Å
103	F	98.8	Very high	98.5	Very high	13 Å²	13	32 Å²	32	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-69.2	-32.5	176.2	-72.2	-59.9	0	0	0	113.3	L99 M100 K101 V105 G107 P109 Y114 F116 Y133 L134 L137	L99-F103 HydrophobicContact CD1-CD2 4.26Å; L99-F103 HydrophobicContact CD1-CE2 3.64Å; L99-F103 HydrophobicContact CD1-CZ 4.13Å; L99-F103 HydrophobicContact CD2-CE2 4.28Å; L99-F103 HydrophobicContact CG-CD2 4.21Å; L99-F103 HydrophobicContact CG-CE2 3.74Å; L99-F103 WeakPolarHBondContact O-CD2 3.25Å; L99-F103 PolarHBondContact O-N 3.48Å; M100-F103 HydrophobicContact CE-CD2 4.46Å; M100-F103 PolarHBondContact O-N 2.85Å; K101-F103 VanDerWaalsContact C-N 3.31Å; K101-F103 PolarHBondContact O-N 2.96Å; F103-V105 VanDerWaalsContact C-N 3.31Å; F103-V105 PolarHBondContact O-N 2.92Å; F103-G107 CarbonylContact O-C 3.46Å; F103-G107 VanDerWaalsContact O-C 3.31Å; F103-G107 WeakPolarHBondContact O-CA 3.3Å; F103-G107 PolarHBondContact O-N 3.47Å; F103-G107 VanDerWaalsContact O-O 3.11Å; F103-P109 HydrophobicContact CD1-CG 3.5Å; F103-P109 HydrophobicContact CE1-CG 3.52Å; F103-P109 HydrophobicContact CG-CG 4.34Å; F103-P109 HydrophobicContact CZ-CG 4.35Å; F103-Y114 HydrophobicContact CD1-CE1 4.12Å; F103-Y114 HydrophobicContact CD1-CE2 4.01Å; F103-Y114 AromaticContact CD1-CZ 3.68Å; F103-Y114 HydrophobicContact CE1-CD1 4.32Å; F103-Y114 HydrophobicContact CE1-CD2 4.36Å; F103-Y114 HydrophobicContact CE1-CE1 4.06Å; F103-Y114 HydrophobicContact CE1-CE2 4.12Å; F103-Y114 HydrophobicContact CE1-CG 4.45Å; F103-Y114 AromaticContact CE1-CZ 3.95Å; F103-F116 HydrophobicContact CE1-CE2 4.3Å; F103-F116 AromaticContact CE1-CZ 3.9Å; F103-F116 HydrophobicContact CE1-CZ 3.9Å; F103-F116 HydrophobicContact CZ-CE2 4.25Å; F103-F116 AromaticContact CZ-CZ 3.71Å; F103-F116 HydrophobicContact CZ-CZ 3.71Å; F103-Y133 AromaticContact CD2-CE1 3.99Å; F103-Y133 HydrophobicContact CD2-CE1 3.99Å; F103-Y133 HydrophobicContact CE2-CD1 4.1Å; F103-Y133 AromaticContact CE2-CE1 3.68Å; F103-Y133 HydrophobicContact CE2-CE1 3.68Å; F103-L134 HydrophobicContact CE2-CD2 4.42Å; F103-L134 HydrophobicContact CZ-CD2 3.94Å; F103-L137 HydrophobicContact CE1-CD1 4.16Å; F103-L137 HydrophobicContact CE2-CD1 3.85Å; F103-L137 HydrophobicContact CZ-CD1 3.48Å; F103-L137 VanDerWaalsContact CZ-CD1 3.48Å
104	E	97.9	Very high	98.5	Very high	126 Å²	126	31.8 Å²	31.8	59%	0.589	19%	0.185	S	C	*	.	H	α-helix	trans	-63.9	-38	172	-66.5	177.4	-177.6	0	0	112.2	M100 K101	M100-E104 PolarHBondContact O-N 2.81Å; K101-E104 HydrophobicContact CD-CB 4.49Å; K101-E104 VanDerWaalsContact CD-OE2 3.29Å; K101-E104 WeakPolarHBondContact CD-OE2 3.3Å; K101-E104 IonicContact NZ-OE2 2.63Å; K101-E104 PolarHBondContact NZ-OE2 2.9Å; K101-E104 WeakPolarHBondContact O-CB 3.35Å; K101-E104 PolarHBondContact O-N 3.41Å; K101-E104 VanDerWaalsContact O-N 3.12Å
105	V	97.8	Very high	98.5	Very high	38 Å²	38	31.8 Å²	31.8	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-82.4	-41	-177.1	173.6	0	0	0	0	111.9	K101 L102 F103 V322 R333 F335	K101-V105 HydrophobicContact CD-CG2 4.48Å; K101-V105 HydrophobicContact CG-CG2 4.44Å; K101-V105 WeakPolarHBondContact O-CG2 3.36Å; K101-V105 PolarHBondContact O-N 3.12Å; L102-V105 PolarHBondContact O-N 3.01Å; F103-V105 VanDerWaalsContact C-N 3.31Å; F103-V105 PolarHBondContact O-N 2.92Å; V105-V322 HydrophobicContact CG1-CG2 4.39Å; V105-R333 HydrophobicContact CG1-CB 3.66Å; V105-R333 HydrophobicContact CG1-CG 4.47Å; V105-F335 HydrophobicContact CG1-CD1 4.5Å; V105-F335 HydrophobicContact CG2-CB 4.02Å; V105-F335 HydrophobicContact CG2-CG 4.44Å
106	G	97.8	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-77.1	-35.4	-178.3	0	0	0	0	0	113.3	L102 Y114 K324	L102-G106 PolarHBondContact O-N 3.39Å; G106-Y114 VanDerWaalsContact CA-OH 3.25Å; G106-Y114 WeakPolarHBondContact CA-OH 3.48Å; G106-K324 WeakPolarHBondContact O-CE 3.4Å; G106-K324 PolarHBondContact O-NZ 2.6Å
107	G	98.1	Very high	98.5	Very high	18 Å²	18	30.8 Å²	30.8	19%	0.186	18%	0.18	C	C	.	.			trans	122.4	160.4	-176.6	0	0	0	0	0	112.6	F103 P109 Y114	F103-G107 CarbonylContact O-C 3.46Å; F103-G107 VanDerWaalsContact O-C 3.31Å; F103-G107 WeakPolarHBondContact O-CA 3.3Å; F103-G107 PolarHBondContact O-N 3.47Å; F103-G107 VanDerWaalsContact O-O 3.11Å; G107-P109 WeakPolarHBondContact O-CD 3.43Å; G107-Y114 PolarHBondContact N-OH 3.08Å; G107-Y114 VanDerWaalsContact N-OH 3.15Å; G107-Y114 WeakPolarHBondContact O-CE2 3.48Å; G107-Y114 PolarHBondContact O-OH 3.21Å
108	S	98.1	Very high	98.5	Very high	66 Å²	66	29.6 Å²	29.6	46%	0.462	18%	0.175	S	C	.	.			trans	-65	130.1	178.1	179.3	0	0	0	0	111	A110 S111 T112	S108-A110 PolarHBondContact O-N 2.92Å; S108-A110 PolarHBondContact OG-N 3.13Å; S108-S111 CarbonylContact O-C 3.13Å; S108-S111 PolarHBondContact O-N 3.49Å; S108-S111 PolarHBondContact O-OG 3.06Å; S108-T112 VanDerWaalsContact O-CB 3.24Å; S108-T112 WeakPolarHBondContact O-CB 3.28Å; S108-T112 PolarHBondContact O-N 2.72Å; S108-T112 PolarHBondContact O-OG1 3.09Å
109	P	98.3	Very high	98.5	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.071	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.3	174.3	-27.2	36.3	0	0	0	114.3	F103 G107 S111 Y114 L137 Y141 L145	F103-P109 HydrophobicContact CD1-CG 3.5Å; F103-P109 HydrophobicContact CE1-CG 3.52Å; F103-P109 HydrophobicContact CG-CG 4.34Å; F103-P109 HydrophobicContact CZ-CG 4.35Å; G107-P109 WeakPolarHBondContact O-CD 3.43Å; P109-S111 PolarHBondContact O-N 3.09Å; P109-Y114 HydrophobicContact CB-CD2 4.42Å; P109-Y114 HydrophobicContact CG-CD2 4.37Å; P109-Y114 HydrophobicContact CG-CE2 4.13Å; P109-L137 HydrophobicContact CB-CD2 4.16Å; P109-L137 HydrophobicContact CG-CD1 4.23Å; P109-L137 HydrophobicContact CG-CD2 4.2Å; P109-Y141 HydrophobicContact CB-CD2 3.92Å; P109-Y141 HydrophobicContact CB-CE2 3.9Å; P109-L145 HydrophobicContact CB-CD1 4.41Å
110	A	97.9	Very high	98.5	Very high	65 Å²	65	29.4 Å²	29.4	54%	0.537	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.3	174.5	0	0	0	0	0	113.2	S108 Y141	S108-A110 PolarHBondContact O-N 2.92Å; S108-A110 PolarHBondContact OG-N 3.13Å; A110-Y141 HydrophobicContact CB-CE1 4.3Å; A110-Y141 WeakPolarHBondContact CB-OH 3.48Å
111	S	97.8	Very high	98.5	Very high	101 Å²	101	28.8 Å²	28.8	71%	0.706	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.1	3.8	-175.6	57.1	0	0	0	0	113.3	S108 P109	S108-S111 CarbonylContact O-C 3.13Å; S108-S111 PolarHBondContact O-N 3.49Å; S108-S111 PolarHBondContact O-OG 3.06Å; P109-S111 PolarHBondContact O-N 3.09Å
112	T	98.5	Very high	98.4	Very high	30 Å²	30	25.4 Å²	25.4	18%	0.184	16%	0.156	C	C	.	.	S	Bend	trans	-134.6	130	-172.6	-58.5	0	0	0	0	109.7	S108 Y114	S108-T112 VanDerWaalsContact O-CB 3.24Å; S108-T112 WeakPolarHBondContact O-CB 3.28Å; S108-T112 PolarHBondContact O-N 2.72Å; S108-T112 PolarHBondContact O-OG1 3.09Å; T112-Y114 HydrophobicContact CG2-CD2 4.2Å; T112-Y114 HydrophobicContact CG2-CE2 3.74Å; T112-Y114 WeakPolarHBondContact O-CD2 3.26Å
113	R	98.8	Very high	98.2	Very high	63 Å²	63	26.8 Å²	26.8	24%	0.238	16%	0.161	C	C	.	.			trans	-78.6	137.5	174.9	-175.1	178.1	-68.9	113.6	-6.6	110.3	I82 E83 P85 V86 T87 T144 F146	I82-R113 HydrophobicContact CG2-CG 4.44Å; E83-R113 VanDerWaalsContact O-CD 3.3Å; E83-R113 WeakPolarHBondContact O-CD 3.45Å; E83-R113 PolarHBondContact O-NH1 3.23Å; E83-R113 VanDerWaalsContact O-NH1 3.09Å; P85-R113 WeakPolarHBondContact O-CB 3.45Å; P85-R113 PolarHBondContact O-NH1 2.9Å; V86-R113 HydrophobicContact CB-CG 4.4Å; V86-R113 HydrophobicContact CG2-CG 4.14Å; T87-R113 PolarHBondContact N-O 3.04Å; R113-T144 CarbonylContact C-O 3.52Å; R113-T144 WeakPolarHBondContact CA-O 3.46Å; R113-T144 VanDerWaalsContact CG-O 3.29Å; R113-T144 WeakPolarHBondContact CG-O 3.36Å; R113-F146 HydrophobicContact CG-CD2 4.38Å; R113-F146 HydrophobicContact CG-CE2 4.01Å
114	Y	98.9	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.2	-176.8	-86.5	-85.7	0	0	0	112.2	T87 L102 F103 G106 G107 P109 T112 F116 T144 F146	T87-Y114 HydrophobicContact CG2-CD1 4.12Å; T87-Y114 HydrophobicContact CG2-CE1 3.63Å; T87-Y114 WeakPolarHBondContact O-CA 3.47Å; L102-Y114 HydrophobicContact CD2-CE1 3.95Å; F103-Y114 HydrophobicContact CD1-CE1 4.12Å; F103-Y114 HydrophobicContact CD1-CE2 4.01Å; F103-Y114 AromaticContact CD1-CZ 3.68Å; F103-Y114 HydrophobicContact CE1-CD1 4.32Å; F103-Y114 HydrophobicContact CE1-CD2 4.36Å; F103-Y114 HydrophobicContact CE1-CE1 4.06Å; F103-Y114 HydrophobicContact CE1-CE2 4.12Å; F103-Y114 HydrophobicContact CE1-CG 4.45Å; F103-Y114 AromaticContact CE1-CZ 3.95Å; G106-Y114 VanDerWaalsContact CA-OH 3.25Å; G106-Y114 WeakPolarHBondContact CA-OH 3.48Å; G107-Y114 PolarHBondContact N-OH 3.08Å; G107-Y114 VanDerWaalsContact N-OH 3.15Å; G107-Y114 WeakPolarHBondContact O-CE2 3.48Å; G107-Y114 PolarHBondContact O-OH 3.21Å; P109-Y114 HydrophobicContact CB-CD2 4.42Å; P109-Y114 HydrophobicContact CG-CD2 4.37Å; P109-Y114 HydrophobicContact CG-CE2 4.13Å; T112-Y114 HydrophobicContact CG2-CD2 4.2Å; T112-Y114 HydrophobicContact CG2-CE2 3.74Å; T112-Y114 WeakPolarHBondContact O-CD2 3.26Å; Y114-F116 AromaticContact CD1-CE2 3.74Å; Y114-F116 HydrophobicContact CD1-CE2 3.74Å; Y114-F116 HydrophobicContact CD1-CZ 4.02Å; Y114-F116 HydrophobicContact CG-CE2 4.06Å; Y114-T144 PolarHBondContact N-O 2.67Å; Y114-F146 WeakPolarHBondContact O-CD2 3.44Å; Y114-F146 PolarHBondContact O-N 3.46Å
115	L	98.9	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.9	167.3	172.8	61.6	0	0	0	108.5	I82 V86 T87 V88 C89 L117 F146 L148 A190 C198	I82-L115 HydrophobicContact CD1-CB 4.39Å; I82-L115 HydrophobicContact CD1-CD1 3.75Å; I82-L115 HydrophobicContact CD1-CD2 4.17Å; I82-L115 HydrophobicContact CD1-CG 4.33Å; V86-L115 HydrophobicContact CG2-CB 4.02Å; T87-L115 PolarHBondContact O-N 2.75Å; V88-L115 CarbonylContact C-O 3.51Å; V88-L115 VanDerWaalsContact CA-O 3.29Å; V88-L115 WeakPolarHBondContact CA-O 3.39Å; V88-L115 HydrophobicContact CG1-CD2 4.29Å; V88-L115 HydrophobicContact CG1-CG 4.4Å; V88-L115 HydrophobicContact CG2-CB 4.39Å; V88-L115 HydrophobicContact CG2-CD2 4.33Å; C89-L115 PolarHBondContact N-O 3.06Å; L115-L117 HydrophobicContact CD2-CD2 4.12Å; L115-L117 HydrophobicContact CG-CD2 4.06Å; L115-F146 WeakPolarHBondContact CA-O 3.31Å; L115-F146 HydrophobicContact CD1-CB 3.96Å; L115-L148 HydrophobicContact CD1-CD1 4.11Å; L115-L148 HydrophobicContact CD1-CD2 4.17Å; L115-L148 HydrophobicContact CD1-CG 3.81Å; L115-A190 HydrophobicContact CD1-CB 4.12Å; L115-A190 HydrophobicContact CD2-CB 3.95Å; L115-C198 HydrophobicContact CD2-CB 3.69Å
116	F	98.9	Very high	98	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.8	170.9	-68.1	-102.1	0	0	0	110	C89 I92 L99 L102 F103 Y114 Y120 L134 L145 F146 L147 L148	C89-F116 HydrophobicContact CB-CD1 3.55Å; C89-F116 HydrophobicContact CB-CE1 3.71Å; C89-F116 HydrophobicContact CB-CG 4.09Å; C89-F116 HydrophobicContact CB-CZ 4.36Å; I92-F116 HydrophobicContact CD1-CD1 4.25Å; I92-F116 HydrophobicContact CD1-CE1 4.1Å; I92-F116 HydrophobicContact CG1-CD1 4.24Å; I92-F116 HydrophobicContact CG1-CE1 4.43Å; L99-F116 HydrophobicContact CD1-CE1 3.85Å; L99-F116 HydrophobicContact CD1-CZ 4.18Å; L102-F116 HydrophobicContact CD1-CE1 4.25Å; L102-F116 HydrophobicContact CD2-CE1 4.2Å; L102-F116 HydrophobicContact CD2-CZ 4.07Å; F103-F116 HydrophobicContact CE1-CE2 4.3Å; F103-F116 AromaticContact CE1-CZ 3.9Å; F103-F116 HydrophobicContact CE1-CZ 3.9Å; F103-F116 HydrophobicContact CZ-CE2 4.25Å; F103-F116 AromaticContact CZ-CZ 3.71Å; F103-F116 HydrophobicContact CZ-CZ 3.71Å; Y114-F116 AromaticContact CD1-CE2 3.74Å; Y114-F116 HydrophobicContact CD1-CE2 3.74Å; Y114-F116 HydrophobicContact CD1-CZ 4.02Å; Y114-F116 HydrophobicContact CG-CE2 4.06Å; F116-Y120 HydrophobicContact CB-CE1 3.72Å; F116-Y120 HydrophobicContact CD1-CE1 4.44Å; F116-Y120 HydrophobicContact CG-CE1 4.31Å; F116-L134 HydrophobicContact CD2-CD2 4.47Å; F116-L134 HydrophobicContact CE1-CD2 4.19Å; F116-L134 HydrophobicContact CE2-CD2 4Å; F116-L134 HydrophobicContact CZ-CD2 3.86Å; F116-L145 HydrophobicContact CE2-CD1 4.26Å; F116-F146 PolarHBondContact N-O 2.84Å; F116-L147 HydrophobicContact CB-CD2 3.88Å; F116-L147 HydrophobicContact CD2-CD2 3.78Å; F116-L147 HydrophobicContact CG-CD2 3.99Å; F116-L148 WeakPolarHBondContact O-CB 3.37Å; F116-L148 WeakPolarHBondContact O-CG 3.35Å; F116-L148 PolarHBondContact O-N 2.75Å
117	L	98.9	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.139	C	C	.	.			trans	-90.2	-10	-171.9	-61.1	-179.1	0	0	0	114.5	V88 C89 L115 L148 C198 H200 I279 A281 I306	V88-L117 HydrophobicContact CG1-CD1 3.86Å; V88-L117 HydrophobicContact CG1-CD2 3.98Å; V88-L117 HydrophobicContact CG1-CG 3.9Å; C89-L117 WeakPolarHBondContact O-CB 3.36Å; C89-L117 WeakPolarHBondContact O-CG 3.43Å; C89-L117 PolarHBondContact O-N 2.96Å; L115-L117 HydrophobicContact CD2-CD2 4.12Å; L115-L117 HydrophobicContact CG-CD2 4.06Å; L117-L148 HydrophobicContact CD2-CD1 3.78Å; L117-C198 HydrophobicContact CD2-CB 3.87Å; L117-H200 VanDerWaalsContact O-CB 3.31Å; L117-H200 WeakPolarHBondContact O-CB 3.37Å; L117-H200 PolarHBondContact O-ND1 3.33Å; L117-I279 HydrophobicContact CD1-CG2 4.26Å; L117-A281 HydrophobicContact CB-CB 3.85Å; L117-A281 HydrophobicContact CD1-CB 3.99Å; L117-I306 HydrophobicContact CD1-CG2 3.6Å
118	G	98.8	Very high	98.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	133.6	-170.3	178.5	0	0	0	0	0	112.7
119	D	98.9	Very high	98.2	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.011	11%	0.109	C	C	.	.			trans	54.2	61	175.3	-72.5	1.9	0	0	0	112.8	D91 I92 H93 G150 N151 H152 E153 H200	D91-D119 HydrophobicContact CB-CB 3.95Å; I92-D119 PolarHBondContact N-O 3.04Å; H93-D119 IonicContact CE1-OD2 3.05Å; H93-D119 PolarHBondContact N-O 3.29Å; H93-D119 IonicContact NE2-OD2 3.64Å; D119-G150 WeakPolarHBondContact OD1-CA 3.2Å; D119-N151 PolarHBondContact OD1-N 3.02Å; D119-N151 PolarHBondContact OD1-OD1 2.9Å; D119-N151 PolarHBondContact OD2-OD1 3.43Å; D119-H152 WeakPolarHBondContact OD1-CB 3.45Å; D119-H152 IonicContact OD1-CD2 2.78Å; D119-H152 IonicContact OD1-CG 3.98Å; D119-H152 PolarHBondContact OD1-N 2.96Å; D119-H152 IonicContact OD2-CD2 2.77Å; D119-H152 PolarHBondContact OD2-CD2 3.35Å; D119-E153 VanDerWaalsContact CA-OE1 3.31Å; D119-E153 WeakPolarHBondContact CA-OE1 3.41Å; D119-E153 PolarHBondContact N-OE1 2.9Å; D119-E153 PolarHBondContact N-OE2 3.38Å; D119-H200 IonicContact OD1-CE1 3.26Å; D119-H200 IonicContact OD1-NE2 2.78Å; D119-H200 PolarHBondContact OD1-NE2 3.43Å; D119-H200 IonicContact OD2-CE1 2.89Å; D119-H200 PolarHBondContact OD2-CE1 2.66Å; D119-H200 IonicContact OD2-NE2 3.31Å; D119-H200 PolarHBondContact OD2-NE2 3.22Å
120	Y	98.9	Very high	98.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.			trans	-78.2	-26.2	176.1	-48.4	-64.5	0	0	0	112.4	G94 F116 L134 W135 L147 L148 E153 L186	G94-Y120 PolarHBondContact N-O 2.93Å; F116-Y120 HydrophobicContact CB-CE1 3.72Å; F116-Y120 HydrophobicContact CD1-CE1 4.44Å; F116-Y120 HydrophobicContact CG-CE1 4.31Å; Y120-L134 HydrophobicContact CD1-CD1 3.46Å; Y120-L134 VanDerWaalsContact CD1-CD1 3.46Å; Y120-L134 HydrophobicContact CE1-CD1 3.91Å; Y120-L134 HydrophobicContact CG-CD1 4.23Å; Y120-W135 HydrophobicContact CD2-CH2 4.33Å; Y120-W135 HydrophobicContact CD2-CZ3 4.31Å; Y120-W135 HydrophobicContact CE2-CH2 4.48Å; Y120-L147 HydrophobicContact CE1-CD2 4Å; Y120-L147 WeakPolarHBondContact OH-CA 3.05Å; Y120-L147 WeakPolarHBondContact OH-CB 3.39Å; Y120-L148 VanDerWaalsContact CE2-O 3.3Å; Y120-L148 WeakPolarHBondContact CE2-O 3.22Å; Y120-L148 PolarHBondContact OH-N 3.14Å; Y120-L148 VanDerWaalsContact OH-N 3.14Å; Y120-L148 PolarHBondContact OH-O 2.87Å; Y120-E153 VanDerWaalsContact CD2-CD 3.46Å; Y120-E153 HydrophobicContact CD2-CG 3.74Å; Y120-E153 WeakPolarHBondContact CD2-OE1 3.25Å; Y120-E153 HydrophobicContact CE2-CG 4.14Å; Y120-E153 PolarHBondContact N-OE1 3.16Å; Y120-L186 HydrophobicContact CE2-CD1 4.09Å; Y120-L186 HydrophobicContact CE2-CD2 4.41Å
121	V	98.9	Very high	98.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-120.5	176.6	-167.1	-56.2	0	0	0	0	113.1	H93 V131 H152 T158 F163 F183	H93-V121 PolarHBondContact ND1-O 3.36Å; H93-V121 VanDerWaalsContact ND1-O 3.14Å; V121-V131 HydrophobicContact CG1-CG2 3.55Å; V121-H152 HydrophobicContact CG2-CB 4.15Å; V121-T158 HydrophobicContact CG2-CG2 3.8Å; V121-F163 HydrophobicContact CB-CB 4.26Å; V121-F163 HydrophobicContact CB-CD1 4.22Å; V121-F163 HydrophobicContact CB-CD2 4.02Å; V121-F163 HydrophobicContact CB-CE2 4.37Å; V121-F163 HydrophobicContact CB-CG 3.91Å; V121-F163 HydrophobicContact CG1-CD1 4.22Å; V121-F163 HydrophobicContact CG1-CD2 3.98Å; V121-F163 HydrophobicContact CG1-CE1 4.07Å; V121-F163 HydrophobicContact CG1-CE2 3.81Å; V121-F163 HydrophobicContact CG1-CG 4.16Å; V121-F163 HydrophobicContact CG1-CZ 3.85Å; V121-F163 HydrophobicContact CG2-CB 4.49Å; V121-F163 HydrophobicContact CG2-CD1 4.25Å; V121-F163 HydrophobicContact CG2-CG 4.3Å; V121-F183 HydrophobicContact CG1-CE2 4.35Å; V121-F183 HydrophobicContact CG1-CZ 3.81Å; V121-F183 HydrophobicContact CG2-CE2 4.25Å; V121-F183 HydrophobicContact CG2-CZ 4.45Å
122	D	97.6	Very high	98.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	64	167.4	-176.1	-66.8	-40.8	0	0	0	114.2	H93 G124 S127 H152 F161 T162 F163	H93-D122 CarbonylContact C-O 3.57Å; H93-D122 WeakPolarHBondContact CA-O 3.44Å; D122-G124 PolarHBondContact O-N 3.5Å; D122-S127 PolarHBondContact N-OG 3.29Å; D122-S127 VanDerWaalsContact N-OG 3.11Å; D122-H152 VanDerWaalsContact CB-ND1 3.34Å; D122-H152 WeakPolarHBondContact CB-ND1 3.35Å; D122-H152 IonicContact OD2-CE1 2.69Å; D122-H152 IonicContact OD2-CG 3.32Å; D122-H152 IonicContact OD2-ND1 3.05Å; D122-H152 PolarHBondContact OD2-ND1 2.94Å; D122-F161 HydrophobicContact CB-CB 3.9Å; D122-F161 HydrophobicContact CB-CD2 4.41Å; D122-F161 HydrophobicContact CB-CG 4.35Å; D122-F161 VanDerWaalsContact CG-CB 3.49Å; D122-F161 WeakPolarHBondContact OD1-CB 3.28Å; D122-T162 PolarHBondContact OD1-N 3.31Å; D122-F163 WeakPolarHBondContact OD1-CB 3.49Å; D122-F163 PolarHBondContact OD1-N 3.23Å
123	R	92.8	Very high	98.3	Very high	29 Å²	29	9.1 Å²	9.1	11%	0.109	4%	0.04	C	C	.	.	S	Bend	trans	70.6	-64.1	177.5	-37.1	-59	-60	-95.7	-4.8	112.6	H93 Y312 L313 D477 E481	H93-R123 HydrophobicContact CB-CB 4.26Å; H93-R123 HydrophobicContact CB-CG 4.4Å; R123-Y312 HydrophobicContact CB-CE2 4.17Å; R123-Y312 HydrophobicContact CG-CE2 4.31Å; R123-Y312 WeakPolarHBondContact CG-OH 3.49Å; R123-Y312 PolarHBondContact NH1-OH 2.94Å; R123-Y312 VanDerWaalsContact NH1-OH 3.11Å; R123-L313 HydrophobicContact CB-CD2 3.55Å; R123-L313 HydrophobicContact CG-CD2 4.38Å; R123-L313 VanDerWaalsContact NH2-CD1 3.31Å; R123-D477 IonicContact CZ-OD1 2.72Å; R123-D477 IonicContact CZ-OD2 3.8Å; R123-D477 IonicContact NH1-OD2 3.09Å; R123-D477 IonicContact NH2-OD1 3.86Å; R123-D477 PolarHBondContact NH2-OD1 2.9Å; R123-D477 IonicContact NH2-OD2 2.82Å; R123-D477 PolarHBondContact NH2-OD2 3.24Å; R123-E481 IonicContact NH1-OE1 3.23Å; R123-E481 PolarHBondContact NH1-OE1 3.22Å
124	G	95	Very high	98.3	Very high	15 Å²	15	6.1 Å²	6.1	16%	0.155	3%	0.029	C	C	.	.	S	Bend	trans	-74.5	162.3	169.5	0	0	0	0	0	112.7	H93 D122 S127	H93-G124 WeakPolarHBondContact O-CA 3.29Å; H93-G124 PolarHBondContact O-N 3.01Å; D122-G124 PolarHBondContact O-N 3.5Å; G124-S127 PolarHBondContact O-OG 2.8Å
125	Y	98.1	Very high	98.3	Very high	59 Å²	59	6.1 Å²	6.1	23%	0.231	3%	0.029	C	C	.	.	S	Bend	trans	-101.9	13.1	-172.8	-65.5	-29.4	0	0	0	115	T162 K170 W343 P345 F347	Y125-T162 HydrophobicContact CE1-CG2 4.2Å; Y125-K170 PolarHBondContact O-NZ 3.04Å; Y125-W343 HydrophobicContact CD2-CB 3.47Å; Y125-W343 VanDerWaalsContact CD2-CB 3.47Å; Y125-W343 HydrophobicContact CD2-CG 4.43Å; Y125-W343 HydrophobicContact CE2-CB 4.06Å; Y125-W343 HydrophobicContact CG-CB 4.16Å; Y125-P345 WeakPolarHBondContact OH-CA 3.14Å; Y125-F347 HydrophobicContact CD1-CE1 4.21Å; Y125-F347 AromaticContact CD1-CE2 3.99Å; Y125-F347 HydrophobicContact CD1-CE2 3.99Å; Y125-F347 AromaticContact CD1-CZ 3.65Å; Y125-F347 HydrophobicContact CD1-CZ 3.65Å; Y125-F347 HydrophobicContact CG-CE1 4.12Å; Y125-F347 HydrophobicContact CG-CZ 4.01Å
126	F	98.9	Very high	98.3	Very high	8 Å²	8	6.1 Å²	6.1	4%	0.035	3%	0.029	C	C	.	.			trans	-126.3	36.6	177	-49.1	-86	0	0	0	112.3	E54 G94 F96 F97 E129 C130 H340 P341 W343	E54-F126 HydrophobicContact CG-CE1 4.49Å; G94-F126 CarbonylContact O-C 3.14Å; G94-F126 VanDerWaalsContact O-CA 3.31Å; G94-F126 WeakPolarHBondContact O-CA 3.5Å; G94-F126 VanDerWaalsContact O-CB 3.27Å; G94-F126 WeakPolarHBondContact O-CB 3.36Å; G94-F126 PolarHBondContact O-N 3Å; G94-F126 VanDerWaalsContact O-N 3.08Å; F96-F126 HydrophobicContact CB-CB 3.49Å; F96-F126 VanDerWaalsContact CB-CB 3.49Å; F96-F126 HydrophobicContact CB-CG 4.35Å; F97-F126 HydrophobicContact CD2-CD2 4.13Å; F97-F126 HydrophobicContact CD2-CE2 4.19Å; F97-F126 HydrophobicContact CD2-CG 4.39Å; F97-F126 HydrophobicContact CD2-CZ 4.49Å; F97-F126 AromaticContact CE2-CD1 3.91Å; F97-F126 HydrophobicContact CE2-CD1 3.91Å; F97-F126 HydrophobicContact CE2-CD2 4.07Å; F97-F126 AromaticContact CE2-CE1 3.8Å; F97-F126 HydrophobicContact CE2-CE1 3.8Å; F97-F126 AromaticContact CE2-CE2 3.97Å; F97-F126 HydrophobicContact CE2-CE2 3.97Å; F97-F126 HydrophobicContact CE2-CG 4.04Å; F97-F126 AromaticContact CE2-CZ 3.84Å; F97-F126 HydrophobicContact CE2-CZ 3.84Å; F126-E129 WeakPolarHBondContact CA-OE2 3.3Å; F126-E129 HydrophobicContact CB-CB 4.4Å; F126-E129 PolarHBondContact O-N 3Å; F126-C130 PolarHBondContact O-N 3.32Å; F126-C130 VanDerWaalsContact O-N 3.11Å; F126-C130 PolarHBondContact O-SG 3.14Å; F126-H340 HydrophobicContact CE2-CB 3.94Å; F126-H340 AromaticContact CE2-ND1 3.87Å; F126-H340 HydrophobicContact CZ-CB 4.48Å; F126-P341 HydrophobicContact CE1-CB 4.49Å; F126-P341 HydrophobicContact CE1-CG 4.43Å; F126-P341 HydrophobicContact CZ-CB 4Å; F126-P341 HydrophobicContact CZ-CG 4.16Å; F126-P341 WeakPolarHBondContact CZ-O 3.4Å; F126-W343 AromaticContact CE1-NE1 3.85Å; F126-W343 AromaticContact CZ-CD1 3.81Å
127	S	98.9	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.4	-41.9	-178.8	-56.3	0	0	0	0	111.9	D122 G124 E129 C130 V131 F163 E166	D122-S127 PolarHBondContact N-OG 3.29Å; D122-S127 VanDerWaalsContact N-OG 3.11Å; G124-S127 PolarHBondContact O-OG 2.8Å; S127-E129 VanDerWaalsContact C-N 3.29Å; S127-E129 PolarHBondContact O-N 2.87Å; S127-C130 WeakPolarHBondContact O-CB 3.31Å; S127-C130 PolarHBondContact O-N 2.81Å; S127-V131 WeakPolarHBondContact O-CG2 3.37Å; S127-V131 PolarHBondContact O-N 3.39Å; S127-F163 VanDerWaalsContact CB-CD2 3.42Å; S127-E166 WeakPolarHBondContact CB-OE2 3.27Å; S127-E166 PolarHBondContact N-OE1 3.35Å; S127-E166 PolarHBondContact N-OE2 3.48Å; S127-E166 PolarHBondContact OG-OE2 3.38Å
128	I	98.9	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.5	-31.7	-178.9	-166.7	57.6	0	0	0	111.3	V131 L132 F163 E166 K170 Y171 V175	I128-V131 HydrophobicContact CD1-CB 4.49Å; I128-V131 PolarHBondContact O-N 2.84Å; I128-L132 HydrophobicContact CD1-CG 4.36Å; I128-L132 HydrophobicContact CG1-CD1 4.18Å; I128-L132 HydrophobicContact CG1-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CB 3.38Å; I128-L132 WeakPolarHBondContact O-CG 3.17Å; I128-L132 PolarHBondContact O-N 2.72Å; I128-F163 HydrophobicContact CB-CE2 4.21Å; I128-F163 HydrophobicContact CD1-CE2 4.25Å; I128-F163 HydrophobicContact CD1-CZ 4.23Å; I128-E166 HydrophobicContact CG2-CG 4.36Å; I128-E166 WeakPolarHBondContact CG2-OE1 3.39Å; I128-E166 PolarHBondContact N-OE1 2.99Å; I128-K170 HydrophobicContact CG2-CD 3.63Å; I128-Y171 HydrophobicContact CB-CE2 4.46Å; I128-Y171 HydrophobicContact CG1-CD2 3.93Å; I128-Y171 HydrophobicContact CG1-CE2 3.75Å; I128-Y171 HydrophobicContact CG2-CD2 4.25Å; I128-Y171 HydrophobicContact CG2-CE2 3.78Å; I128-V175 HydrophobicContact CD1-CG1 3.92Å
129	E	98.9	Very high	98.3	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.019	3%	0.031	C	C	.	.	H	α-helix	trans	-66.5	-41.6	173	-65.6	82.1	178.6	0	0	111.4	L51 F96 F126 S127 Y133 K170	L51-E129 HydrophobicContact CB-CB 4.5Å; L51-E129 HydrophobicContact CB-CG 4.31Å; L51-E129 HydrophobicContact CD1-CB 4.22Å; L51-E129 HydrophobicContact CD2-CG 4.04Å; L51-E129 HydrophobicContact CG-CG 4.5Å; F96-E129 HydrophobicContact CB-CB 4.13Å; F96-E129 HydrophobicContact CD1-CB 4.18Å; F96-E129 HydrophobicContact CD2-CB 3.69Å; F96-E129 HydrophobicContact CE2-CB 4.13Å; F96-E129 HydrophobicContact CG-CB 3.72Å; F126-E129 WeakPolarHBondContact CA-OE2 3.3Å; F126-E129 HydrophobicContact CB-CB 4.4Å; F126-E129 PolarHBondContact O-N 3Å; S127-E129 VanDerWaalsContact C-N 3.29Å; S127-E129 PolarHBondContact O-N 2.87Å; E129-Y133 VanDerWaalsContact O-CB 3.24Å; E129-Y133 WeakPolarHBondContact O-CB 3.26Å; E129-Y133 PolarHBondContact O-N 2.89Å; E129-K170 IonicContact OE1-NZ 3.88Å; E129-K170 PolarHBondContact OE1-NZ 3.09Å; E129-K170 IonicContact OE2-NZ 3Å; E129-K170 PolarHBondContact OE2-NZ 3.17Å
130	C	98.9	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-57.4	-51.1	171.3	-72.2	0	0	0	0	111.6	F96 L99 F126 S127 Y133 L134	F96-C130 VanDerWaalsContact CA-SG 3.52Å; L99-C130 HydrophobicContact CD2-CB 4.36Å; F126-C130 PolarHBondContact O-N 3.32Å; F126-C130 VanDerWaalsContact O-N 3.11Å; F126-C130 PolarHBondContact O-SG 3.14Å; S127-C130 WeakPolarHBondContact O-CB 3.31Å; S127-C130 PolarHBondContact O-N 2.81Å; C130-Y133 PolarHBondContact O-N 3.14Å; C130-L134 VanDerWaalsContact O-CB 3.31Å; C130-L134 WeakPolarHBondContact O-CB 3.31Å; C130-L134 VanDerWaalsContact O-CG 3.3Å; C130-L134 WeakPolarHBondContact O-CG 3.15Å; C130-L134 PolarHBondContact O-N 3.37Å
131	V	98.9	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.1	-53	179.5	171.4	0	0	0	0	110.9	V121 S127 I128 Y133 L134 W135 F163 F183	V121-V131 HydrophobicContact CG1-CG2 3.55Å; S127-V131 WeakPolarHBondContact O-CG2 3.37Å; S127-V131 PolarHBondContact O-N 3.39Å; I128-V131 HydrophobicContact CD1-CB 4.49Å; I128-V131 PolarHBondContact O-N 2.84Å; V131-Y133 VanDerWaalsContact C-N 3.28Å; V131-Y133 PolarHBondContact O-N 3.22Å; V131-L134 PolarHBondContact O-N 3.12Å; V131-W135 HydrophobicContact CB-CE3 4.41Å; V131-W135 HydrophobicContact CB-CZ3 4.48Å; V131-W135 HydrophobicContact CG1-CD2 4.05Å; V131-W135 HydrophobicContact CG1-CE3 3.86Å; V131-W135 HydrophobicContact CG1-CZ3 4.09Å; V131-W135 HydrophobicContact CG2-CZ3 4.44Å; V131-W135 VanDerWaalsContact O-CB 3.3Å; V131-W135 WeakPolarHBondContact O-CB 3.38Å; V131-W135 PolarHBondContact O-N 3.44Å; V131-F163 HydrophobicContact CG2-CZ 4.23Å; V131-F183 HydrophobicContact CG2-CE1 4.18Å; V131-F183 HydrophobicContact CG2-CZ 4.02Å
132	L	98.9	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.5	-40.6	-178.1	-70.4	176.1	0	0	0	112.1	V57 A62 L65 I66 I128 A136 Y171	V57-L132 HydrophobicContact CG2-CD1 4.16Å; A62-L132 HydrophobicContact CB-CD1 4.45Å; A62-L132 HydrophobicContact CB-CD2 3.87Å; L65-L132 HydrophobicContact CB-CD2 4.3Å; L65-L132 HydrophobicContact CD1-CD2 4.22Å; I66-L132 HydrophobicContact CD1-CD2 4.2Å; I66-L132 HydrophobicContact CG1-CD2 4.11Å; I128-L132 HydrophobicContact CD1-CG 4.36Å; I128-L132 HydrophobicContact CG1-CD1 4.18Å; I128-L132 HydrophobicContact CG1-CG 4.26Å; I128-L132 WeakPolarHBondContact O-CB 3.38Å; I128-L132 WeakPolarHBondContact O-CG 3.17Å; I128-L132 PolarHBondContact O-N 2.72Å; L132-A136 VanDerWaalsContact O-CB 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.35Å; L132-A136 PolarHBondContact O-N 3.39Å; L132-Y171 HydrophobicContact CD1-CE2 4.32Å; L132-Y171 WeakPolarHBondContact CD1-OH 3.36Å
133	Y	98.9	Very high	98.4	Very high	11 Å²	11	20.4 Å²	20.4	4%	0.043	10%	0.096	C	C	.	.	H	α-helix	trans	-73.4	-44.9	-179.1	-169.8	-113.7	0	0	0	112.6	V44 L47 K48 F96 L99 M100 F103 E129 C130 V131 W135 A136 L137	V44-Y133 HydrophobicContact CB-CE2 4.28Å; L47-Y133 HydrophobicContact CD2-CD2 4.35Å; K48-Y133 HydrophobicContact CB-CD2 4.44Å; K48-Y133 HydrophobicContact CB-CE2 3.68Å; K48-Y133 HydrophobicContact CG-CE2 4.48Å; F96-Y133 HydrophobicContact CE2-CD1 4.3Å; F96-Y133 HydrophobicContact CE2-CG 4.09Å; L99-Y133 HydrophobicContact CD2-CD1 4.4Å; M100-Y133 HydrophobicContact CE-CD1 3.62Å; M100-Y133 HydrophobicContact CE-CE1 3.56Å; M100-Y133 HydrophobicContact CE-CG 4.42Å; M100-Y133 HydrophobicContact SD-CE1 4.28Å; F103-Y133 AromaticContact CD2-CE1 3.99Å; F103-Y133 HydrophobicContact CD2-CE1 3.99Å; F103-Y133 HydrophobicContact CE2-CD1 4.1Å; F103-Y133 AromaticContact CE2-CE1 3.68Å; F103-Y133 HydrophobicContact CE2-CE1 3.68Å; E129-Y133 VanDerWaalsContact O-CB 3.24Å; E129-Y133 WeakPolarHBondContact O-CB 3.26Å; E129-Y133 PolarHBondContact O-N 2.89Å; C130-Y133 PolarHBondContact O-N 3.14Å; V131-Y133 VanDerWaalsContact C-N 3.28Å; V131-Y133 PolarHBondContact O-N 3.22Å; Y133-W135 VanDerWaalsContact C-N 3.34Å; Y133-W135 PolarHBondContact O-N 3.29Å; Y133-A136 PolarHBondContact O-N 2.86Å; Y133-L137 HydrophobicContact CD1-CD1 3.93Å; Y133-L137 HydrophobicContact CE1-CD1 3.62Å; Y133-L137 HydrophobicContact CE1-CG 4.31Å; Y133-L137 WeakPolarHBondContact O-CG 3.5Å; Y133-L137 PolarHBondContact O-N 3.41Å
134	L	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-37.1	176.5	-70.7	172.9	0	0	0	111.8	L99 F103 F116 Y120 C130 V131 L137 K138 L147	L99-L134 HydrophobicContact CD1-CD2 4.37Å; L99-L134 HydrophobicContact CD2-CD1 4.32Å; L99-L134 HydrophobicContact CD2-CD2 4.24Å; L99-L134 HydrophobicContact CD2-CG 4.06Å; F103-L134 HydrophobicContact CE2-CD2 4.42Å; F103-L134 HydrophobicContact CZ-CD2 3.94Å; F116-L134 HydrophobicContact CD2-CD2 4.47Å; F116-L134 HydrophobicContact CE1-CD2 4.19Å; F116-L134 HydrophobicContact CE2-CD2 4Å; F116-L134 HydrophobicContact CZ-CD2 3.86Å; Y120-L134 HydrophobicContact CD1-CD1 3.46Å; Y120-L134 VanDerWaalsContact CD1-CD1 3.46Å; Y120-L134 HydrophobicContact CE1-CD1 3.91Å; Y120-L134 HydrophobicContact CG-CD1 4.23Å; C130-L134 VanDerWaalsContact O-CB 3.31Å; C130-L134 WeakPolarHBondContact O-CB 3.31Å; C130-L134 VanDerWaalsContact O-CG 3.3Å; C130-L134 WeakPolarHBondContact O-CG 3.15Å; C130-L134 PolarHBondContact O-N 3.37Å; V131-L134 PolarHBondContact O-N 3.12Å; L134-L137 PolarHBondContact O-N 3.29Å; L134-K138 WeakPolarHBondContact O-CB 3.29Å; L134-K138 PolarHBondContact O-N 2.98Å; L134-L147 HydrophobicContact CB-CD1 4.31Å; L134-L147 HydrophobicContact CB-CD2 4.39Å; L134-L147 HydrophobicContact CD1-CD2 4.49Å; L134-L147 HydrophobicContact CD2-CD2 4.43Å
135	W	98.9	Very high	98.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.5	-40.6	174.7	-91.6	-121.4	0	0	0	111.7	L73 Y120 V131 Y133 L137 K138 I139 L147 A182 F183 L186	L73-W135 HydrophobicContact CD1-CZ2 3.89Å; Y120-W135 HydrophobicContact CD2-CH2 4.33Å; Y120-W135 HydrophobicContact CD2-CZ3 4.31Å; Y120-W135 HydrophobicContact CE2-CH2 4.48Å; V131-W135 HydrophobicContact CB-CE3 4.41Å; V131-W135 HydrophobicContact CB-CZ3 4.48Å; V131-W135 HydrophobicContact CG1-CD2 4.05Å; V131-W135 HydrophobicContact CG1-CE3 3.86Å; V131-W135 HydrophobicContact CG1-CZ3 4.09Å; V131-W135 HydrophobicContact CG2-CZ3 4.44Å; V131-W135 VanDerWaalsContact O-CB 3.3Å; V131-W135 WeakPolarHBondContact O-CB 3.38Å; V131-W135 PolarHBondContact O-N 3.44Å; Y133-W135 VanDerWaalsContact C-N 3.34Å; Y133-W135 PolarHBondContact O-N 3.29Å; W135-L137 VanDerWaalsContact C-N 3.3Å; W135-L137 PolarHBondContact O-N 2.88Å; W135-K138 WeakPolarHBondContact O-CB 3.33Å; W135-K138 PolarHBondContact O-N 2.92Å; W135-K138 VanDerWaalsContact O-N 3.14Å; W135-I139 VanDerWaalsContact O-CG1 3.29Å; W135-I139 WeakPolarHBondContact O-CG1 3.39Å; W135-I139 PolarHBondContact O-N 3Å; W135-L147 HydrophobicContact CE3-CD1 3.95Å; W135-L147 HydrophobicContact CH2-CD1 4.41Å; W135-L147 HydrophobicContact CZ3-CD1 3.91Å; W135-A182 HydrophobicContact CZ2-CB 4.24Å; W135-F183 AromaticContact CH2-CD1 3.94Å; W135-F183 HydrophobicContact CH2-CD1 3.94Å; W135-F183 AromaticContact CH2-CE1 3.68Å; W135-F183 HydrophobicContact CH2-CE1 3.68Å; W135-F183 AromaticContact CZ2-CD1 3.99Å; W135-F183 HydrophobicContact CZ2-CD1 3.99Å; W135-F183 HydrophobicContact CZ2-CE1 4.01Å; W135-L186 HydrophobicContact CH2-CD1 4.32Å; W135-L186 HydrophobicContact CH2-CD2 4.2Å; W135-L186 HydrophobicContact CZ2-CD2 4.38Å
136	A	98.9	Very high	98.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.4	-43.1	172.5	0	0	0	0	0	111.5	P42 V44 L47 L65 L132 Y133 I139 L140	P42-A136 HydrophobicContact CB-CB 4.06Å; P42-A136 HydrophobicContact CG-CB 4.18Å; P42-A136 VanDerWaalsContact CG-O 3.27Å; P42-A136 WeakPolarHBondContact CG-O 3.3Å; V44-A136 HydrophobicContact CG1-CB 4.12Å; L47-A136 HydrophobicContact CD2-CB 3.61Å; L65-A136 HydrophobicContact CD2-CB 3.97Å; L132-A136 VanDerWaalsContact O-CB 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.35Å; L132-A136 PolarHBondContact O-N 3.39Å; Y133-A136 PolarHBondContact O-N 2.86Å; A136-I139 PolarHBondContact O-N 2.92Å; A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 PolarHBondContact O-N 2.94Å
137	L	98.9	Very high	98.9	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-37.1	173.8	-70.1	173.7	0	0	0	112.3	V44 F103 P109 Y133 L134 W135 I139 L140 Y141 L145	V44-L137 HydrophobicContact CB-CD2 4.3Å; V44-L137 HydrophobicContact CG1-CD2 4.02Å; V44-L137 HydrophobicContact CG2-CD2 4.43Å; F103-L137 HydrophobicContact CE1-CD1 4.16Å; F103-L137 HydrophobicContact CE2-CD1 3.85Å; F103-L137 HydrophobicContact CZ-CD1 3.48Å; F103-L137 VanDerWaalsContact CZ-CD1 3.48Å; P109-L137 HydrophobicContact CB-CD2 4.16Å; P109-L137 HydrophobicContact CG-CD1 4.23Å; P109-L137 HydrophobicContact CG-CD2 4.2Å; Y133-L137 HydrophobicContact CD1-CD1 3.93Å; Y133-L137 HydrophobicContact CE1-CD1 3.62Å; Y133-L137 HydrophobicContact CE1-CG 4.31Å; Y133-L137 WeakPolarHBondContact O-CG 3.5Å; Y133-L137 PolarHBondContact O-N 3.41Å; L134-L137 PolarHBondContact O-N 3.29Å; W135-L137 VanDerWaalsContact C-N 3.3Å; W135-L137 PolarHBondContact O-N 2.88Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 3.13Å; L137-L140 PolarHBondContact O-N 3.4Å; L137-Y141 HydrophobicContact CB-CD2 4.46Å; L137-Y141 HydrophobicContact CD2-CD2 3.93Å; L137-Y141 HydrophobicContact CD2-CE2 3.73Å; L137-Y141 WeakPolarHBondContact O-CA 3.12Å; L137-Y141 WeakPolarHBondContact O-CB 3.42Å; L137-Y141 WeakPolarHBondContact O-CD2 3.3Å; L137-Y141 PolarHBondContact O-N 2.62Å; L137-L145 HydrophobicContact CB-CD1 3.86Å; L137-L145 HydrophobicContact CB-CD2 4.33Å; L137-L145 HydrophobicContact CD1-CD1 4.13Å
138	K	98.9	Very high	98.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-39.1	175.5	-178.1	66.4	-169.5	-172.9	0	112	I72 L73 E76 L134 W135 Y141 P142 L145 L147	I72-K138 HydrophobicContact CG2-CD 4.48Å; I72-K138 VanDerWaalsContact CG2-CE 3.46Å; I72-K138 HydrophobicContact CG2-CG 4.37Å; L73-K138 HydrophobicContact CD2-CD 4.28Å; L73-K138 HydrophobicContact CD2-CG 4.4Å; E76-K138 IonicContact OE1-NZ 3.15Å; E76-K138 PolarHBondContact OE1-NZ 3.32Å; E76-K138 IonicContact OE2-NZ 3.78Å; E76-K138 PolarHBondContact OE2-NZ 3.07Å; L134-K138 WeakPolarHBondContact O-CB 3.29Å; L134-K138 PolarHBondContact O-N 2.98Å; W135-K138 WeakPolarHBondContact O-CB 3.33Å; W135-K138 PolarHBondContact O-N 2.92Å; W135-K138 VanDerWaalsContact O-N 3.14Å; K138-Y141 CarbonylContact O-C 3.48Å; K138-P142 PolarHBondContact NZ-O 3.32Å; K138-P142 WeakPolarHBondContact O-CA 3.43Å; K138-P142 WeakPolarHBondContact O-CB 3.31Å; K138-P142 VanDerWaalsContact O-N 3.16Å; K138-L145 HydrophobicContact CB-CD2 4.23Å; K138-L145 HydrophobicContact CD-CD2 4.46Å; K138-L145 WeakPolarHBondContact CD-O 3.36Å; K138-L145 PolarHBondContact NZ-O 3.25Å; K138-L147 HydrophobicContact CB-CD1 4.29Å
139	I	98.9	Very high	98.9	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.036	9%	0.088	C	C	.	.	H	α-helix	trans	-66.2	-40	175.4	-65.4	160.6	0	0	0	111.4	K41 P42 L65 E68 I72 W135 A136 L137	K41-I139 PolarHBondContact NZ-O 3.19Å; P42-I139 HydrophobicContact CG-CB 4.13Å; P42-I139 HydrophobicContact CG-CG2 4.05Å; L65-I139 HydrophobicContact CD2-CD1 4.02Å; L65-I139 WeakPolarHBondContact O-CD1 3.32Å; E68-I139 HydrophobicContact CB-CD1 3.62Å; E68-I139 HydrophobicContact CB-CG1 3.99Å; I72-I139 HydrophobicContact CD1-CB 4.3Å; I72-I139 HydrophobicContact CD1-CG1 4.04Å; W135-I139 VanDerWaalsContact O-CG1 3.29Å; W135-I139 WeakPolarHBondContact O-CG1 3.39Å; W135-I139 PolarHBondContact O-N 3Å; A136-I139 PolarHBondContact O-N 2.92Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 3.13Å
140	L	98.8	Very high	98.9	Very high	45 Å²	45	18 Å²	18	24%	0.236	9%	0.087	C	C	.	.	H	α-helix	trans	-76	-38.3	-178.9	-170.3	57.7	0	0	0	112.4	K41 P42 V44 A136 L137 P142	K41-L140 HydrophobicContact CB-CD1 4.23Å; K41-L140 HydrophobicContact CD-CD1 4.42Å; P42-L140 HydrophobicContact CG-CB 4.3Å; V44-L140 HydrophobicContact CB-CD2 4.4Å; V44-L140 HydrophobicContact CG1-CD2 3.76Å; V44-L140 HydrophobicContact CG2-CD2 3.71Å; A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 PolarHBondContact O-N 2.94Å; L137-L140 PolarHBondContact O-N 3.4Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å
141	Y	98.8	Very high	98.9	Very high	52 Å²	52	18.1 Å²	18.1	20%	0.204	9%	0.088	C	C	.	.			trans	-124.1	53.5	-172.7	-55.8	-60.6	0	0	0	113	P109 A110 L137 K138 K143 T144 L145	P109-Y141 HydrophobicContact CB-CD2 3.92Å; P109-Y141 HydrophobicContact CB-CE2 3.9Å; A110-Y141 HydrophobicContact CB-CE1 4.3Å; A110-Y141 WeakPolarHBondContact CB-OH 3.48Å; L137-Y141 HydrophobicContact CB-CD2 4.46Å; L137-Y141 HydrophobicContact CD2-CD2 3.93Å; L137-Y141 HydrophobicContact CD2-CE2 3.73Å; L137-Y141 WeakPolarHBondContact O-CA 3.12Å; L137-Y141 WeakPolarHBondContact O-CB 3.42Å; L137-Y141 WeakPolarHBondContact O-CD2 3.3Å; L137-Y141 PolarHBondContact O-N 2.62Å; K138-Y141 CarbonylContact O-C 3.48Å; Y141-K143 PolarHBondContact O-N 3.04Å; Y141-T144 WeakPolarHBondContact CB-OG1 3.3Å; Y141-T144 PolarHBondContact O-N 3.14Å; Y141-T144 VanDerWaalsContact O-N 3.1Å; Y141-L145 PolarHBondContact O-N 2.89Å
142	P	98.6	Very high	98.9	Very high	35 Å²	35	18.4 Å²	18.4	23%	0.227	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.7	-169.2	26.4	-36.3	0	0	0	114.5	I72 K138 L140	I72-P142 HydrophobicContact CD1-CB 4.4Å; I72-P142 HydrophobicContact CG2-CB 3.98Å; K138-P142 PolarHBondContact NZ-O 3.32Å; K138-P142 WeakPolarHBondContact O-CA 3.43Å; K138-P142 WeakPolarHBondContact O-CB 3.31Å; K138-P142 VanDerWaalsContact O-N 3.16Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å
143	K	98.6	Very high	98.9	Very high	161 Å²	161	18.4 Å²	18.4	70%	0.7	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-2.4	-179	-58	-57	-177.2	-172.4	0	113.8	Y141 F146	Y141-K143 PolarHBondContact O-N 3.04Å; K143-F146 VanDerWaalsContact O-CZ 3.22Å; K143-F146 WeakPolarHBondContact O-CZ 3.13Å
144	T	98.8	Very high	98.8	Very high	46 Å²	46	18.1 Å²	18.1	28%	0.282	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-10.9	-179	53.7	0	0	0	0	113.3	R113 Y114 Y141	R113-T144 CarbonylContact C-O 3.52Å; R113-T144 WeakPolarHBondContact CA-O 3.46Å; R113-T144 VanDerWaalsContact CG-O 3.29Å; R113-T144 WeakPolarHBondContact CG-O 3.36Å; Y114-T144 PolarHBondContact N-O 2.67Å; Y141-T144 WeakPolarHBondContact CB-OG1 3.3Å; Y141-T144 PolarHBondContact O-N 3.14Å; Y141-T144 VanDerWaalsContact O-N 3.1Å
145	L	98.9	Very high	98.8	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.2	170.6	-172.1	138.9	0	0	0	110.3	P109 F116 L137 K138 Y141 L147	P109-L145 HydrophobicContact CB-CD1 4.41Å; F116-L145 HydrophobicContact CE2-CD1 4.26Å; L137-L145 HydrophobicContact CB-CD1 3.86Å; L137-L145 HydrophobicContact CB-CD2 4.33Å; L137-L145 HydrophobicContact CD1-CD1 4.13Å; K138-L145 HydrophobicContact CB-CD2 4.23Å; K138-L145 HydrophobicContact CD-CD2 4.46Å; K138-L145 WeakPolarHBondContact CD-O 3.36Å; K138-L145 PolarHBondContact NZ-O 3.25Å; Y141-L145 PolarHBondContact O-N 2.89Å; L145-L147 HydrophobicContact CD2-CD1 4.43Å; L145-L147 HydrophobicContact CD2-CD2 3.93Å; L145-L147 HydrophobicContact CD2-CG 4.02Å
146	F	98.9	Very high	98.7	Very high	18 Å²	18	24 Å²	24	8%	0.079	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139	-174.5	-56.2	-78.4	0	0	0	110	L80 I82 R113 Y114 L115 F116 K143	L80-F146 HydrophobicContact CD1-CB 3.92Å; L80-F146 HydrophobicContact CD1-CD1 3.94Å; L80-F146 HydrophobicContact CD1-CG 4.25Å; I82-F146 HydrophobicContact CD1-CB 3.81Å; I82-F146 HydrophobicContact CD1-CD1 4.26Å; I82-F146 HydrophobicContact CD1-CD2 3.57Å; I82-F146 HydrophobicContact CD1-CE2 4.18Å; I82-F146 HydrophobicContact CD1-CG 3.61Å; I82-F146 HydrophobicContact CG1-CD2 4.03Å; I82-F146 HydrophobicContact CG1-CE2 4.12Å; I82-F146 HydrophobicContact CG1-CG 4.26Å; I82-F146 HydrophobicContact CG1-CZ 4.41Å; I82-F146 HydrophobicContact CG2-CD2 4.16Å; I82-F146 HydrophobicContact CG2-CE2 4.02Å; R113-F146 HydrophobicContact CG-CD2 4.38Å; R113-F146 HydrophobicContact CG-CE2 4.01Å; Y114-F146 WeakPolarHBondContact O-CD2 3.44Å; Y114-F146 PolarHBondContact O-N 3.46Å; L115-F146 WeakPolarHBondContact CA-O 3.31Å; L115-F146 HydrophobicContact CD1-CB 3.96Å; F116-F146 PolarHBondContact N-O 2.84Å; K143-F146 VanDerWaalsContact O-CZ 3.22Å; K143-F146 WeakPolarHBondContact O-CZ 3.13Å
147	L	99	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.3	-176.7	-60.1	177.4	0	0	0	107.2	L73 F116 Y120 L134 W135 K138 L145 L186 P187	L73-L147 HydrophobicContact CD2-CB 4.34Å; F116-L147 HydrophobicContact CB-CD2 3.88Å; F116-L147 HydrophobicContact CD2-CD2 3.78Å; F116-L147 HydrophobicContact CG-CD2 3.99Å; Y120-L147 HydrophobicContact CE1-CD2 4Å; Y120-L147 WeakPolarHBondContact OH-CA 3.05Å; Y120-L147 WeakPolarHBondContact OH-CB 3.39Å; L134-L147 HydrophobicContact CB-CD1 4.31Å; L134-L147 HydrophobicContact CB-CD2 4.39Å; L134-L147 HydrophobicContact CD1-CD2 4.49Å; L134-L147 HydrophobicContact CD2-CD2 4.43Å; W135-L147 HydrophobicContact CE3-CD1 3.95Å; W135-L147 HydrophobicContact CH2-CD1 4.41Å; W135-L147 HydrophobicContact CZ3-CD1 3.91Å; K138-L147 HydrophobicContact CB-CD1 4.29Å; L145-L147 HydrophobicContact CD2-CD1 4.43Å; L145-L147 HydrophobicContact CD2-CD2 3.93Å; L145-L147 HydrophobicContact CD2-CG 4.02Å; L147-L186 HydrophobicContact CB-CD2 3.74Å; L147-P187 WeakPolarHBondContact O-CD 3.13Å
148	L	99	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.			trans	-94.3	167.6	169.9	-57.2	-172.5	0	0	0	110.7	L80 L115 F116 L117 Y120 P187 A190	L80-L148 HydrophobicContact CD1-CD2 3.82Å; L80-L148 HydrophobicContact CG-CD2 4.41Å; L115-L148 HydrophobicContact CD1-CD1 4.11Å; L115-L148 HydrophobicContact CD1-CD2 4.17Å; L115-L148 HydrophobicContact CD1-CG 3.81Å; F116-L148 WeakPolarHBondContact O-CB 3.37Å; F116-L148 WeakPolarHBondContact O-CG 3.35Å; F116-L148 PolarHBondContact O-N 2.75Å; L117-L148 HydrophobicContact CD2-CD1 3.78Å; Y120-L148 VanDerWaalsContact CE2-O 3.3Å; Y120-L148 WeakPolarHBondContact CE2-O 3.22Å; Y120-L148 PolarHBondContact OH-N 3.14Å; Y120-L148 VanDerWaalsContact OH-N 3.14Å; Y120-L148 PolarHBondContact OH-O 2.87Å; L148-P187 CarbonylContact C-O 3.57Å; L148-P187 WeakPolarHBondContact CA-O 3.39Å; L148-P187 HydrophobicContact CD2-CB 3.91Å; L148-A190 HydrophobicContact CD1-CB 4.49Å; L148-A190 HydrophobicContact CD2-CB 4.44Å
149	R	98.9	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.			trans	-85.9	129.5	172.3	-157.6	174.5	-174	168.4	7.8	109.7	E153 F183 D184 L186 P187 L188 R218 K220 L232	R149-E153 HydrophobicContact CG-CB 3.84Å; R149-E153 VanDerWaalsContact CZ-O 3.32Å; R149-E153 PolarHBondContact NE-O 3.04Å; R149-E153 PolarHBondContact NH2-O 3.18Å; R149-F183 PolarHBondContact NE-O 3.24Å; R149-D184 IonicContact CZ-OD1 2.77Å; R149-D184 IonicContact NH1-OD1 3.88Å; R149-D184 PolarHBondContact NH1-OD1 2.74Å; R149-D184 IonicContact NH2-OD1 2.81Å; R149-D184 PolarHBondContact NH2-OD1 3.38Å; R149-L186 HydrophobicContact CB-CB 3.65Å; R149-L186 HydrophobicContact CB-CD1 4.31Å; R149-L186 HydrophobicContact CG-CB 4.02Å; R149-L186 HydrophobicContact CG-CD1 4.12Å; R149-P187 PolarHBondContact N-O 2.83Å; R149-L188 HydrophobicContact CB-CD2 4.21Å; R149-R218 PolarHBondContact NH1-O 3.22Å; R149-K220 PolarHBondContact NH1-O 3.3Å; R149-L232 HydrophobicContact CB-CD2 4.25Å; R149-L232 WeakPolarHBondContact O-CD2 3.29Å
150	G	98.9	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.151	C	C	.	.			trans	-96.2	-179.3	163.4	0	0	0	0	0	111.9	D119 H152 E153 H200	D119-G150 WeakPolarHBondContact OD1-CA 3.2Å; G150-H152 VanDerWaalsContact C-N 3.31Å; G150-E153 WeakPolarHBondContact CA-OE2 3.31Å; G150-E153 PolarHBondContact N-OE2 3.44Å; G150-H200 WeakPolarHBondContact CA-CD2 3.5Å; G150-H200 VanDerWaalsContact CA-CG 3.43Å
151	N	98.8	Very high	97.6	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	15%	0.146	C	C	.	.	S	Bend	trans	-73.1	-26.1	179.7	61.5	-65.5	0	0	0	112.3	D119 E153 C154 L157 H200 L232 W233 H282	D119-N151 PolarHBondContact OD1-N 3.02Å; D119-N151 PolarHBondContact OD1-OD1 2.9Å; D119-N151 PolarHBondContact OD2-OD1 3.43Å; N151-E153 VanDerWaalsContact C-N 3.33Å; N151-C154 PolarHBondContact O-SG 3.41Å; N151-L157 WeakPolarHBondContact ND2-CD2 3.41Å; N151-H200 PolarHBondContact N-CD2 2.87Å; N151-H200 VanDerWaalsContact N-CD2 3.33Å; N151-H200 PolarHBondContact OD1-CD2 3Å; N151-H200 VanDerWaalsContact OD1-CD2 3.3Å; N151-H200 PolarHBondContact OD1-NE2 2.84Å; N151-L232 HydrophobicContact CB-CB 4.22Å; N151-W233 HydrophobicContact CB-CD2 3.93Å; N151-W233 VanDerWaalsContact CB-CE2 3.49Å; N151-W233 HydrophobicContact CB-CG 4.3Å; N151-W233 HydrophobicContact CB-CH2 4.41Å; N151-W233 HydrophobicContact CB-CZ2 3.76Å; N151-W233 WeakPolarHBondContact ND2-CH2 3.47Å; N151-H282 PolarHBondContact OD1-CE1 2.69Å; N151-H282 VanDerWaalsContact OD1-CE1 3.29Å; N151-H282 PolarHBondContact OD1-ND1 2.89Å
152	H	98.8	Very high	97.4	Very high	5 Å²	5	31 Å²	31	2%	0.023	14%	0.143	C	C	.	.	S	Bend	trans	-75.8	-16.1	177.1	-79.2	-96.7	0	0	0	113.9	H93 D119 V121 D122 G150 C154 L157 T158 F161	H93-H152 AromaticContact CE1-CD2 3.58Å; H93-H152 AromaticContact CE1-NE2 3.69Å; D119-H152 WeakPolarHBondContact OD1-CB 3.45Å; D119-H152 IonicContact OD1-CD2 2.78Å; D119-H152 IonicContact OD1-CG 3.98Å; D119-H152 PolarHBondContact OD1-N 2.96Å; D119-H152 IonicContact OD2-CD2 2.77Å; D119-H152 PolarHBondContact OD2-CD2 3.35Å; V121-H152 HydrophobicContact CG2-CB 4.15Å; D122-H152 VanDerWaalsContact CB-ND1 3.34Å; D122-H152 WeakPolarHBondContact CB-ND1 3.35Å; D122-H152 IonicContact OD2-CE1 2.69Å; D122-H152 IonicContact OD2-CG 3.32Å; D122-H152 IonicContact OD2-ND1 3.05Å; D122-H152 PolarHBondContact OD2-ND1 2.94Å; G150-H152 VanDerWaalsContact C-N 3.31Å; H152-C154 PolarHBondContact O-N 2.93Å; H152-L157 HydrophobicContact CB-CD2 4.47Å; H152-T158 WeakPolarHBondContact O-CG2 3.32Å; H152-F161 AromaticContact CE1-CD2 3.71Å; H152-F161 AromaticContact CE1-CE2 3.6Å
153	E	98.9	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-79.2	56.7	175.7	-76.6	74.2	-131	0	0	112.2	D119 Y120 R149 G150 N151 F183 L186	D119-E153 VanDerWaalsContact CA-OE1 3.31Å; D119-E153 WeakPolarHBondContact CA-OE1 3.41Å; D119-E153 PolarHBondContact N-OE1 2.9Å; D119-E153 PolarHBondContact N-OE2 3.38Å; Y120-E153 VanDerWaalsContact CD2-CD 3.46Å; Y120-E153 HydrophobicContact CD2-CG 3.74Å; Y120-E153 WeakPolarHBondContact CD2-OE1 3.25Å; Y120-E153 HydrophobicContact CE2-CG 4.14Å; Y120-E153 PolarHBondContact N-OE1 3.16Å; R149-E153 HydrophobicContact CG-CB 3.84Å; R149-E153 VanDerWaalsContact CZ-O 3.32Å; R149-E153 PolarHBondContact NE-O 3.04Å; R149-E153 PolarHBondContact NH2-O 3.18Å; G150-E153 WeakPolarHBondContact CA-OE2 3.31Å; G150-E153 PolarHBondContact N-OE2 3.44Å; N151-E153 VanDerWaalsContact C-N 3.33Å; E153-F183 HydrophobicContact CB-CB 3.95Å; E153-F183 HydrophobicContact CB-CD1 4.25Å; E153-F183 HydrophobicContact CB-CD2 3.8Å; E153-F183 HydrophobicContact CB-CE2 4.35Å; E153-F183 HydrophobicContact CB-CG 3.74Å; E153-F183 HydrophobicContact CG-CD1 3.92Å; E153-F183 HydrophobicContact CG-CD2 4Å; E153-F183 HydrophobicContact CG-CE1 4.05Å; E153-F183 HydrophobicContact CG-CE2 4.11Å; E153-F183 HydrophobicContact CG-CG 3.9Å; E153-F183 HydrophobicContact CG-CZ 4.15Å; E153-L186 HydrophobicContact CB-CD1 3.95Å; E153-L186 HydrophobicContact CG-CD1 3.71Å
154	C	98.7	Very high	97.4	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.034	11%	0.107	C	C	.	.	S	Bend	trans	-148.8	158	-179.9	75.5	0	0	0	0	112.2	N151 H152 H156 L157 T158 E221 P222	N151-C154 PolarHBondContact O-SG 3.41Å; H152-C154 PolarHBondContact O-N 2.93Å; C154-H156 VanDerWaalsContact C-N 3.3Å; C154-H156 PolarHBondContact O-N 3.24Å; C154-L157 PolarHBondContact SG-N 2.87Å; C154-L157 VanDerWaalsContact SG-N 3.44Å; C154-T158 WeakPolarHBondContact O-CB 3.29Å; C154-T158 VanDerWaalsContact O-CG2 3.31Å; C154-T158 WeakPolarHBondContact O-CG2 3.22Å; C154-T158 PolarHBondContact O-N 3.11Å; C154-T158 PolarHBondContact O-OG1 3.02Å; C154-E221 VanDerWaalsContact CB-OE1 3.25Å; C154-E221 WeakPolarHBondContact CB-OE1 3.39Å; C154-P222 HydrophobicContact CB-CG 3.88Å
155	R	98.7	Very high	97.3	Very high	71 Å²	71	24.5 Å²	24.5	27%	0.268	11%	0.108	S	C	.	.	H	α-helix	trans	-64.3	-38.8	179.5	-64.5	166.2	-174.3	79.3	-1.1	110.8	L157 T158 E159 M180 D181 D184 E221	R155-L157 PolarHBondContact O-N 3.09Å; R155-T158 PolarHBondContact O-OG1 3.43Å; R155-E159 VanDerWaalsContact O-CB 3.25Å; R155-E159 WeakPolarHBondContact O-CB 3.43Å; R155-E159 VanDerWaalsContact O-CG 3.24Å; R155-E159 WeakPolarHBondContact O-CG 3.33Å; R155-E159 PolarHBondContact O-N 3.39Å; R155-M180 HydrophobicContact CB-SD 4.19Å; R155-M180 HydrophobicContact CG-CB 3.99Å; R155-M180 HydrophobicContact CG-CG 3.68Å; R155-M180 HydrophobicContact CG-SD 3.54Å; R155-M180 VanDerWaalsContact CG-SD 3.54Å; R155-D181 IonicContact NH2-OD1 2.87Å; R155-D181 PolarHBondContact NH2-OD1 3.14Å; R155-D184 IonicContact CZ-OD2 2.66Å; R155-D184 VanDerWaalsContact CZ-OD2 3.31Å; R155-D184 IonicContact NH1-OD1 2.86Å; R155-D184 PolarHBondContact NH1-OD1 2.84Å; R155-D184 IonicContact NH1-OD2 3.72Å; R155-D184 PolarHBondContact NH1-OD2 2.91Å; R155-D184 IonicContact NH2-OD2 3.59Å; R155-D184 PolarHBondContact NH2-OD2 2.91Å; R155-E221 WeakPolarHBondContact CB-OE2 3.2Å; R155-E221 WeakPolarHBondContact CG-OE2 3.37Å; R155-E221 IonicContact CZ-OE2 2.9Å; R155-E221 VanDerWaalsContact N-CD 3.34Å; R155-E221 PolarHBondContact N-OE1 3.44Å; R155-E221 PolarHBondContact N-OE2 3.44Å; R155-E221 IonicContact NH1-OE2 2.74Å; R155-E221 PolarHBondContact NH1-OE2 3.4Å
156	H	96.4	Very high	97.3	Very high	52 Å²	52	24.5 Å²	24.5	24%	0.241	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-47.6	-175.4	-172.6	58.4	0	0	0	113	C154 Y160 E221 P484 P485	C154-H156 VanDerWaalsContact C-N 3.3Å; C154-H156 PolarHBondContact O-N 3.24Å; H156-Y160 PolarHBondContact O-N 2.93Å; H156-E221 PolarHBondContact N-OE1 2.89Å; H156-P484 PolarHBondContact CE1-O 3.36Å; H156-P484 PolarHBondContact NE2-O 3.21Å; H156-P485 PolarHBondContact CE1-O 3.22Å
157	L	95.4	Very high	97.3	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-76.1	-43	-179.6	-92.2	63.7	0	0	0	111.8	N151 H152 C154 R155 E159 Y160 F161 W233 P484	N151-L157 WeakPolarHBondContact ND2-CD2 3.41Å; H152-L157 HydrophobicContact CB-CD2 4.47Å; C154-L157 PolarHBondContact SG-N 2.87Å; C154-L157 VanDerWaalsContact SG-N 3.44Å; R155-L157 PolarHBondContact O-N 3.09Å; L157-E159 PolarHBondContact O-N 3.37Å; L157-Y160 PolarHBondContact O-N 3.08Å; L157-F161 HydrophobicContact CB-CD2 4.23Å; L157-F161 HydrophobicContact CD2-CE2 4.42Å; L157-F161 HydrophobicContact CG-CD2 4.35Å; L157-F161 HydrophobicContact CG-CE2 4.14Å; L157-F161 WeakPolarHBondContact O-CD2 3.31Å; L157-F161 PolarHBondContact O-N 3.35Å; L157-W233 HydrophobicContact CD1-CH2 4.03Å; L157-W233 HydrophobicContact CD1-CZ2 3.64Å; L157-W233 HydrophobicContact CD2-CH2 3.78Å; L157-W233 HydrophobicContact CD2-CZ2 3.74Å; L157-W233 HydrophobicContact CG-CH2 4.45Å; L157-W233 HydrophobicContact CG-CZ2 4.35Å; L157-P484 HydrophobicContact CD1-CG 4.16Å; L157-P484 HydrophobicContact CG-CG 4.35Å
158	T	97.8	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-71.3	-20.1	-176.5	56.6	0	0	0	0	113.5	V121 H152 C154 R155 F163 K164 Y176 M180	V121-T158 HydrophobicContact CG2-CG2 3.8Å; H152-T158 WeakPolarHBondContact O-CG2 3.32Å; C154-T158 WeakPolarHBondContact O-CB 3.29Å; C154-T158 VanDerWaalsContact O-CG2 3.31Å; C154-T158 WeakPolarHBondContact O-CG2 3.22Å; C154-T158 PolarHBondContact O-N 3.11Å; C154-T158 PolarHBondContact O-OG1 3.02Å; R155-T158 PolarHBondContact O-OG1 3.43Å; T158-F163 HydrophobicContact CG2-CB 3.89Å; T158-F163 HydrophobicContact CG2-CD1 3.65Å; T158-F163 HydrophobicContact CG2-CG 4.19Å; T158-K164 WeakPolarHBondContact O-CB 3.24Å; T158-K164 PolarHBondContact O-N 3.37Å; T158-K164 VanDerWaalsContact O-N 3.08Å; T158-Y176 WeakPolarHBondContact OG1-CE2 3.19Å; T158-Y176 PolarHBondContact OG1-OH 2.82Å; T158-Y176 VanDerWaalsContact OG1-OH 3.04Å; T158-M180 HydrophobicContact CG2-CE 4.26Å
159	E	93.2	Very high	97.2	Very high	82 Å²	82	30.9 Å²	30.9	38%	0.383	14%	0.138	S	C	.	.	H	α-helix	trans	-75.9	-34.5	166.5	-78.4	-166.8	172.6	0	0	113.7	R155 L157 K164 Y176 R487	R155-E159 VanDerWaalsContact O-CB 3.25Å; R155-E159 WeakPolarHBondContact O-CB 3.43Å; R155-E159 VanDerWaalsContact O-CG 3.24Å; R155-E159 WeakPolarHBondContact O-CG 3.33Å; R155-E159 PolarHBondContact O-N 3.39Å; L157-E159 PolarHBondContact O-N 3.37Å; E159-K164 HydrophobicContact CG-CD 3.64Å; E159-K164 IonicContact OE1-NZ 3.91Å; E159-K164 PolarHBondContact OE1-NZ 3.49Å; E159-Y176 WeakPolarHBondContact CG-OH 3.37Å; E159-R487 IonicContact OE2-NH1 3.87Å
160	Y	90.9	Very high	97.2	Very high	120 Å²	120	31 Å²	31	47%	0.471	14%	0.139	S	C	.	.	H	α-helix	trans	-79.2	-41.9	-179.1	179.5	-98.8	0	0	0	112	H156 L157 P484	H156-Y160 PolarHBondContact O-N 2.93Å; L157-Y160 PolarHBondContact O-N 3.08Å; Y160-P484 HydrophobicContact CD1-CB 3.95Å; Y160-P484 HydrophobicContact CD1-CG 3.52Å; Y160-P484 HydrophobicContact CD2-CB 3.69Å; Y160-P484 HydrophobicContact CD2-CG 4.19Å; Y160-P484 HydrophobicContact CE1-CB 4.38Å; Y160-P484 HydrophobicContact CE1-CG 4.13Å; Y160-P484 HydrophobicContact CE2-CB 4.15Å; Y160-P484 HydrophobicContact CG-CB 3.58Å; Y160-P484 HydrophobicContact CG-CG 3.55Å
161	F	94.1	Very high	97.2	Very high	29 Å²	29	32.1 Å²	32.1	13%	0.127	14%	0.143	C	C	.	.	S	Bend	trans	-89.1	-147.1	175.8	-65.3	-63.7	0	0	0	110.8	D122 H152 L157 N480	D122-F161 HydrophobicContact CB-CB 3.9Å; D122-F161 HydrophobicContact CB-CD2 4.41Å; D122-F161 HydrophobicContact CB-CG 4.35Å; D122-F161 VanDerWaalsContact CG-CB 3.49Å; D122-F161 WeakPolarHBondContact OD1-CB 3.28Å; H152-F161 AromaticContact CE1-CD2 3.71Å; H152-F161 AromaticContact CE1-CE2 3.6Å; L157-F161 HydrophobicContact CB-CD2 4.23Å; L157-F161 HydrophobicContact CD2-CE2 4.42Å; L157-F161 HydrophobicContact CG-CD2 4.35Å; L157-F161 HydrophobicContact CG-CE2 4.14Å; L157-F161 WeakPolarHBondContact O-CD2 3.31Å; L157-F161 PolarHBondContact O-N 3.35Å; F161-N480 HydrophobicContact CE1-CB 4.03Å; F161-N480 HydrophobicContact CZ-CB 4.2Å; F161-N480 WeakPolarHBondContact CZ-O 3.37Å
162	T	94.1	Very high	97.2	Very high	22 Å²	22	33.1 Å²	33.1	14%	0.135	15%	0.15	C	C	.	.	S	Bend	trans	-106	-14.3	-160.2	52.4	0	0	0	0	113.4	D122 Y125 K164 Q165 E166	D122-T162 PolarHBondContact OD1-N 3.31Å; Y125-T162 HydrophobicContact CE1-CG2 4.2Å; T162-K164 PolarHBondContact O-N 3.31Å; T162-Q165 PolarHBondContact O-N 3.3Å; T162-Q165 VanDerWaalsContact O-N 3.16Å; T162-E166 WeakPolarHBondContact O-CB 3.44Å; T162-E166 PolarHBondContact O-N 2.94Å
163	F	98.7	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-39.9	-172.5	-177	-123.7	0	0	0	113.7	V121 D122 S127 I128 V131 T158 Q165 E166 C167 Y176 C179 M180 F183	V121-F163 HydrophobicContact CB-CB 4.26Å; V121-F163 HydrophobicContact CB-CD1 4.22Å; V121-F163 HydrophobicContact CB-CD2 4.02Å; V121-F163 HydrophobicContact CB-CE2 4.37Å; V121-F163 HydrophobicContact CB-CG 3.91Å; V121-F163 HydrophobicContact CG1-CD1 4.22Å; V121-F163 HydrophobicContact CG1-CD2 3.98Å; V121-F163 HydrophobicContact CG1-CE1 4.07Å; V121-F163 HydrophobicContact CG1-CE2 3.81Å; V121-F163 HydrophobicContact CG1-CG 4.16Å; V121-F163 HydrophobicContact CG1-CZ 3.85Å; V121-F163 HydrophobicContact CG2-CB 4.49Å; V121-F163 HydrophobicContact CG2-CD1 4.25Å; V121-F163 HydrophobicContact CG2-CG 4.3Å; D122-F163 WeakPolarHBondContact OD1-CB 3.49Å; D122-F163 PolarHBondContact OD1-N 3.23Å; S127-F163 VanDerWaalsContact CB-CD2 3.42Å; I128-F163 HydrophobicContact CB-CE2 4.21Å; I128-F163 HydrophobicContact CD1-CE2 4.25Å; I128-F163 HydrophobicContact CD1-CZ 4.23Å; V131-F163 HydrophobicContact CG2-CZ 4.23Å; T158-F163 HydrophobicContact CG2-CB 3.89Å; T158-F163 HydrophobicContact CG2-CD1 3.65Å; T158-F163 HydrophobicContact CG2-CG 4.19Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 2.72Å; F163-E166 WeakPolarHBondContact O-CB 3.2Å; F163-E166 PolarHBondContact O-N 3.09Å; F163-C167 PolarHBondContact O-N 3.32Å; F163-C167 PolarHBondContact O-SG 3Å; F163-Y176 HydrophobicContact CD1-CD2 4.23Å; F163-Y176 HydrophobicContact CD1-CE2 4.31Å; F163-Y176 HydrophobicContact CE1-CD2 4.43Å; F163-C179 HydrophobicContact CE1-CB 3.94Å; F163-C179 HydrophobicContact CZ-CB 4.14Å; F163-M180 HydrophobicContact CD1-CE 4.04Å; F163-M180 HydrophobicContact CE1-CE 3.85Å; F163-F183 HydrophobicContact CD1-CE2 4.32Å; F163-F183 AromaticContact CE1-CE2 3.77Å; F163-F183 HydrophobicContact CE1-CE2 3.77Å; F163-F183 AromaticContact CE1-CZ 3.87Å; F163-F183 HydrophobicContact CE1-CZ 3.87Å; F163-F183 HydrophobicContact CZ-CZ 4.23Å
164	K	98.6	Very high	97.2	Very high	41 Å²	41	44.2 Å²	44.2	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-42.9	175.1	-174	167.9	-171.2	176.1	0	111.8	T158 E159 T162 C167 K168 E173 Y176	T158-K164 WeakPolarHBondContact O-CB 3.24Å; T158-K164 PolarHBondContact O-N 3.37Å; T158-K164 VanDerWaalsContact O-N 3.08Å; E159-K164 HydrophobicContact CG-CD 3.64Å; E159-K164 IonicContact OE1-NZ 3.91Å; E159-K164 PolarHBondContact OE1-NZ 3.49Å; T162-K164 PolarHBondContact O-N 3.31Å; K164-C167 PolarHBondContact O-N 3.23Å; K164-K168 WeakPolarHBondContact O-CG 3.4Å; K164-K168 PolarHBondContact O-N 2.8Å; K164-K168 VanDerWaalsContact O-N 3.14Å; K164-E173 VanDerWaalsContact CE-OE1 3.24Å; K164-E173 WeakPolarHBondContact CE-OE1 3.49Å; K164-E173 IonicContact NZ-OE1 3.91Å; K164-Y176 HydrophobicContact CB-CD2 3.85Å; K164-Y176 HydrophobicContact CB-CE2 3.58Å; K164-Y176 HydrophobicContact CB-CG 4.42Å; K164-Y176 HydrophobicContact CD-CD1 4.19Å; K164-Y176 HydrophobicContact CD-CE1 3.73Å; K164-Y176 HydrophobicContact CD-CE2 4.23Å; K164-Y176 HydrophobicContact CG-CD1 4.05Å; K164-Y176 HydrophobicContact CG-CD2 3.96Å; K164-Y176 HydrophobicContact CG-CE1 4Å; K164-Y176 HydrophobicContact CG-CE2 3.9Å; K164-Y176 HydrophobicContact CG-CG 4.02Å
165	Q	97.2	Very high	97.2	Very high	64 Å²	64	44 Å²	44	30%	0.299	19%	0.194	S	C	.	.	H	α-helix	trans	-67	-40.6	176.8	-176	63.9	8.3	0	0	111.5	T162 F163 C167 K168 I169 N346 F347	T162-Q165 PolarHBondContact O-N 3.3Å; T162-Q165 VanDerWaalsContact O-N 3.16Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 2.72Å; Q165-C167 VanDerWaalsContact C-N 3.33Å; Q165-C167 PolarHBondContact O-N 3.13Å; Q165-K168 PolarHBondContact O-N 3.15Å; Q165-K168 VanDerWaalsContact O-N 3.14Å; Q165-I169 HydrophobicContact CG-CG1 4.24Å; Q165-I169 WeakPolarHBondContact O-CG1 3.39Å; Q165-I169 PolarHBondContact O-N 3.34Å; Q165-N346 WeakPolarHBondContact CG-OD1 3.45Å; Q165-F347 HydrophobicContact CG-CD2 4.29Å
166	E	98.8	Very high	97.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.1	-49.1	175.2	-175.4	174.7	165.7	0	0	111.2	S127 I128 T162 F163 K168 I169 K170 F347	S127-E166 WeakPolarHBondContact CB-OE2 3.27Å; S127-E166 PolarHBondContact N-OE1 3.35Å; S127-E166 PolarHBondContact N-OE2 3.48Å; S127-E166 PolarHBondContact OG-OE2 3.38Å; I128-E166 HydrophobicContact CG2-CG 4.36Å; I128-E166 WeakPolarHBondContact CG2-OE1 3.39Å; I128-E166 PolarHBondContact N-OE1 2.99Å; T162-E166 WeakPolarHBondContact O-CB 3.44Å; T162-E166 PolarHBondContact O-N 2.94Å; F163-E166 WeakPolarHBondContact O-CB 3.2Å; F163-E166 PolarHBondContact O-N 3.09Å; E166-K168 PolarHBondContact O-N 3.16Å; E166-I169 PolarHBondContact O-N 3.19Å; E166-K170 HydrophobicContact CG-CD 3.76Å; E166-K170 HydrophobicContact CG-CG 4.39Å; E166-K170 WeakPolarHBondContact O-CB 3.43Å; E166-K170 WeakPolarHBondContact O-CG 3.26Å; E166-K170 PolarHBondContact O-N 3.15Å; E166-K170 IonicContact OE1-NZ 3.76Å; E166-K170 PolarHBondContact OE1-NZ 2.82Å; E166-F347 HydrophobicContact CB-CD2 4.36Å; E166-F347 HydrophobicContact CB-CE1 4.35Å; E166-F347 HydrophobicContact CB-CE2 3.46Å; E166-F347 VanDerWaalsContact CB-CE2 3.46Å; E166-F347 HydrophobicContact CB-CZ 3.46Å; E166-F347 VanDerWaalsContact CB-CZ 3.46Å; E166-F347 HydrophobicContact CG-CE1 3.95Å; E166-F347 HydrophobicContact CG-CE2 3.97Å; E166-F347 HydrophobicContact CG-CZ 3.41Å; E166-F347 VanDerWaalsContact CG-CZ 3.41Å
167	C	98.8	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-44.1	176.1	-72	0	0	0	0	111.9	F163 K164 Q165 I169 Y171 S172	F163-C167 PolarHBondContact O-N 3.32Å; F163-C167 PolarHBondContact O-SG 3Å; K164-C167 PolarHBondContact O-N 3.23Å; Q165-C167 VanDerWaalsContact C-N 3.33Å; Q165-C167 PolarHBondContact O-N 3.13Å; C167-I169 PolarHBondContact O-N 3.46Å; C167-Y171 CarbonylContact O-C 3.49Å; C167-Y171 VanDerWaalsContact O-CA 3.26Å; C167-Y171 WeakPolarHBondContact O-CA 3.31Å; C167-Y171 PolarHBondContact O-N 3.34Å; C167-S172 PolarHBondContact O-N 2.97Å
168	K	98.3	Very high	97.5	Very high	84 Å²	84	43 Å²	43	37%	0.365	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-38.5	178.4	-72.2	-176	-177	-156.4	0	112.9	K164 Q165 E166 E173	K164-K168 WeakPolarHBondContact O-CG 3.4Å; K164-K168 PolarHBondContact O-N 2.8Å; K164-K168 VanDerWaalsContact O-N 3.14Å; Q165-K168 PolarHBondContact O-N 3.15Å; Q165-K168 VanDerWaalsContact O-N 3.14Å; E166-K168 PolarHBondContact O-N 3.16Å; K168-E173 WeakPolarHBondContact CE-OE1 3.24Å; K168-E173 WeakPolarHBondContact CE-OE2 3.4Å; K168-E173 HydrophobicContact CG-CB 4.45Å; K168-E173 IonicContact NZ-OE1 3.63Å; K168-E173 PolarHBondContact NZ-OE1 3.27Å; K168-E173 IonicContact NZ-OE2 3.49Å; K168-E173 PolarHBondContact NZ-OE2 2.78Å
169	I	98	Very high	97.6	Very high	69 Å²	69	43 Å²	43	35%	0.354	20%	0.199	S	C	.	.	H	α-helix	trans	-77.8	-40.9	-178.8	-66.4	-68.3	0	0	0	112.1	R56 Q165 E166 C167 F347	R56-I169 PolarHBondContact NH1-O 3Å; Q165-I169 HydrophobicContact CG-CG1 4.24Å; Q165-I169 WeakPolarHBondContact O-CG1 3.39Å; Q165-I169 PolarHBondContact O-N 3.34Å; E166-I169 PolarHBondContact O-N 3.19Å; C167-I169 PolarHBondContact O-N 3.46Å; I169-F347 HydrophobicContact CB-CB 4.29Å; I169-F347 HydrophobicContact CG1-CB 3.97Å; I169-F347 HydrophobicContact CG2-CB 4.06Å
170	K	98.6	Very high	97.8	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-86.2	-34.9	-175.5	-64.4	-177.7	-179	178	0	112.8	R29 R56 Y125 I128 E129 E166	R29-K170 PolarHBondContact NH1-O 3.34Å; R29-K170 PolarHBondContact NH2-O 3.1Å; R29-K170 VanDerWaalsContact NH2-O 3.12Å; R56-K170 WeakPolarHBondContact CD-O 3.47Å; R56-K170 PolarHBondContact NH1-O 3.44Å; Y125-K170 PolarHBondContact O-NZ 3.04Å; I128-K170 HydrophobicContact CG2-CD 3.63Å; E129-K170 IonicContact OE1-NZ 3.88Å; E129-K170 PolarHBondContact OE1-NZ 3.09Å; E129-K170 IonicContact OE2-NZ 3Å; E129-K170 PolarHBondContact OE2-NZ 3.17Å; E166-K170 HydrophobicContact CG-CD 3.76Å; E166-K170 HydrophobicContact CG-CG 4.39Å; E166-K170 WeakPolarHBondContact O-CB 3.43Å; E166-K170 WeakPolarHBondContact O-CG 3.26Å; E166-K170 PolarHBondContact O-N 3.15Å; E166-K170 IonicContact OE1-NZ 3.76Å; E166-K170 PolarHBondContact OE1-NZ 2.82Å
171	Y	98.8	Very high	98.2	Very high	23 Å²	23	37.8 Å²	37.8	9%	0.09	18%	0.181	C	C	.	.	S	Bend	trans	-135.1	-107	-174.2	-63.7	-86.3	0	0	0	110.9	R56 V57 A62 I128 L132 C167 V175	R56-Y171 HydrophobicContact CB-CE1 4.43Å; V57-Y171 HydrophobicContact CG2-CE1 3.98Å; V57-Y171 PolarHBondContact N-OH 3.29Å; V57-Y171 WeakPolarHBondContact O-CE1 3.42Å; A62-Y171 HydrophobicContact CB-CD1 4.24Å; A62-Y171 HydrophobicContact CB-CE1 4.04Å; I128-Y171 HydrophobicContact CB-CE2 4.46Å; I128-Y171 HydrophobicContact CG1-CD2 3.93Å; I128-Y171 HydrophobicContact CG1-CE2 3.75Å; I128-Y171 HydrophobicContact CG2-CD2 4.25Å; I128-Y171 HydrophobicContact CG2-CE2 3.78Å; L132-Y171 HydrophobicContact CD1-CE2 4.32Å; L132-Y171 WeakPolarHBondContact CD1-OH 3.36Å; C167-Y171 CarbonylContact O-C 3.49Å; C167-Y171 VanDerWaalsContact O-CA 3.26Å; C167-Y171 WeakPolarHBondContact O-CA 3.31Å; C167-Y171 PolarHBondContact O-N 3.34Å; Y171-V175 HydrophobicContact CG-CG1 4.46Å; Y171-V175 HydrophobicContact CG-CG2 4.31Å
172	S	98.8	Very high	98.4	Very high	24 Å²	24	36.4 Å²	36.4	17%	0.168	18%	0.176	C	C	.	.			trans	-158.7	168.6	179.6	62.4	0	0	0	0	111.1	E59 C167 R174 V175 Y176	E59-S172 PolarHBondContact OE1-OG 3.09Å; E59-S172 VanDerWaalsContact OE2-CB 3.31Å; E59-S172 WeakPolarHBondContact OE2-CB 3.43Å; E59-S172 PolarHBondContact OE2-OG 2.94Å; C167-S172 PolarHBondContact O-N 2.97Å; S172-R174 PolarHBondContact O-N 2.81Å; S172-V175 PolarHBondContact O-N 2.89Å; S172-V175 VanDerWaalsContact O-N 3.14Å; S172-Y176 PolarHBondContact O-N 2.88Å
173	E	98.7	Very high	98.7	Very high	80 Å²	80	35.4 Å²	35.4	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-62	-26.8	173.5	-169.3	154	-143.3	0	0	112.3	K164 K168 V175 Y176 D177	K164-E173 VanDerWaalsContact CE-OE1 3.24Å; K164-E173 WeakPolarHBondContact CE-OE1 3.49Å; K164-E173 IonicContact NZ-OE1 3.91Å; K168-E173 WeakPolarHBondContact CE-OE1 3.24Å; K168-E173 WeakPolarHBondContact CE-OE2 3.4Å; K168-E173 HydrophobicContact CG-CB 4.45Å; K168-E173 IonicContact NZ-OE1 3.63Å; K168-E173 PolarHBondContact NZ-OE1 3.27Å; K168-E173 IonicContact NZ-OE2 3.49Å; K168-E173 PolarHBondContact NZ-OE2 2.78Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 PolarHBondContact O-N 3.01Å; E173-Y176 WeakPolarHBondContact O-CB 3.22Å; E173-Y176 PolarHBondContact O-N 3.08Å; E173-Y176 VanDerWaalsContact O-N 3.13Å; E173-D177 VanDerWaalsContact O-CG 3.3Å; E173-D177 PolarHBondContact O-N 3.28Å
174	R	98.8	Very high	98.7	Very high	157 Å²	157	36.2 Å²	36.2	59%	0.592	17%	0.174	S	C	*	.	H	α-helix	trans	-62.8	-36.2	174	-63.1	176.1	65.5	-148.4	6.3	112.8	E59 S172 A178	E59-R174 IonicContact OE1-CZ 3.12Å; E59-R174 IonicContact OE1-NE 2.73Å; E59-R174 IonicContact OE1-NH1 3.38Å; E59-R174 PolarHBondContact OE1-NH1 3.48Å; S172-R174 PolarHBondContact O-N 2.81Å; R174-A178 WeakPolarHBondContact O-CB 3.31Å; R174-A178 PolarHBondContact O-N 3.25Å
175	V	98.9	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.3	-39.2	175.4	173	0	0	0	0	110.3	E59 A62 L63 I66 I128 Y171 S172 E173 A178 C179	E59-V175 HydrophobicContact CG-CG2 3.86Å; A62-V175 HydrophobicContact CB-CG2 4.41Å; L63-V175 HydrophobicContact CD2-CG2 4.06Å; L63-V175 HydrophobicContact CG-CG2 4.22Å; I66-V175 HydrophobicContact CD1-CG1 3.78Å; I128-V175 HydrophobicContact CD1-CG1 3.92Å; Y171-V175 HydrophobicContact CG-CG1 4.46Å; Y171-V175 HydrophobicContact CG-CG2 4.31Å; S172-V175 PolarHBondContact O-N 2.89Å; S172-V175 VanDerWaalsContact O-N 3.14Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 PolarHBondContact O-N 3.01Å; V175-A178 PolarHBondContact O-N 2.9Å; V175-C179 PolarHBondContact O-N 3.42Å; V175-C179 PolarHBondContact O-SG 2.83Å
176	Y	98.9	Very high	98.8	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-51.3	173.3	170.9	-100.1	0	0	0	111.5	T158 E159 F163 K164 S172 E173 A178 C179 M180	T158-Y176 WeakPolarHBondContact OG1-CE2 3.19Å; T158-Y176 PolarHBondContact OG1-OH 2.82Å; T158-Y176 VanDerWaalsContact OG1-OH 3.04Å; E159-Y176 WeakPolarHBondContact CG-OH 3.37Å; F163-Y176 HydrophobicContact CD1-CD2 4.23Å; F163-Y176 HydrophobicContact CD1-CE2 4.31Å; F163-Y176 HydrophobicContact CE1-CD2 4.43Å; K164-Y176 HydrophobicContact CB-CD2 3.85Å; K164-Y176 HydrophobicContact CB-CE2 3.58Å; K164-Y176 HydrophobicContact CB-CG 4.42Å; K164-Y176 HydrophobicContact CD-CD1 4.19Å; K164-Y176 HydrophobicContact CD-CE1 3.73Å; K164-Y176 HydrophobicContact CD-CE2 4.23Å; K164-Y176 HydrophobicContact CG-CD1 4.05Å; K164-Y176 HydrophobicContact CG-CD2 3.96Å; K164-Y176 HydrophobicContact CG-CE1 4Å; K164-Y176 HydrophobicContact CG-CE2 3.9Å; K164-Y176 HydrophobicContact CG-CG 4.02Å; S172-Y176 PolarHBondContact O-N 2.88Å; E173-Y176 WeakPolarHBondContact O-CB 3.22Å; E173-Y176 PolarHBondContact O-N 3.08Å; E173-Y176 VanDerWaalsContact O-N 3.13Å; Y176-A178 VanDerWaalsContact C-N 3.28Å; Y176-A178 PolarHBondContact O-N 2.97Å; Y176-C179 WeakPolarHBondContact O-CA 3.49Å; Y176-C179 VanDerWaalsContact O-CB 3.32Å; Y176-C179 WeakPolarHBondContact O-CB 3.49Å; Y176-C179 PolarHBondContact O-N 2.77Å; Y176-M180 HydrophobicContact CD1-CG 4.22Å; Y176-M180 HydrophobicContact CD2-CE 3.97Å; Y176-M180 HydrophobicContact CD2-CG 4.46Å; Y176-M180 HydrophobicContact CE1-CG 3.78Å; Y176-M180 HydrophobicContact CE1-SD 4.38Å; Y176-M180 HydrophobicContact CE2-CE 3.54Å; Y176-M180 HydrophobicContact CE2-CG 4.05Å; Y176-M180 HydrophobicContact CE2-SD 3.8Å; Y176-M180 WeakPolarHBondContact O-CG 3.47Å; Y176-M180 PolarHBondContact O-N 2.94Å
177	D	98.9	Very high	98.8	Very high	78 Å²	78	31.3 Å²	31.3	42%	0.417	15%	0.152	S	C	.	.	H	α-helix	trans	-58.9	-41.6	179.7	-63.8	-25.2	0	0	0	111.4	E173 C179 M180 D181	E173-D177 VanDerWaalsContact O-CG 3.3Å; E173-D177 PolarHBondContact O-N 3.28Å; D177-C179 VanDerWaalsContact C-N 3.34Å; D177-C179 PolarHBondContact O-N 3.46Å; D177-M180 WeakPolarHBondContact O-CB 3.24Å; D177-M180 PolarHBondContact O-N 3.45Å; D177-M180 VanDerWaalsContact O-N 3.16Å; D177-D181 PolarHBondContact O-N 3.43Å
178	A	98.9	Very high	98.8	Very high	23 Å²	23	31.3 Å²	31.3	19%	0.19	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-38.2	174.5	0	0	0	0	0	112.7	L63 I66 R174 V175 Y176 A182	L63-A178 HydrophobicContact CD2-CB 3.64Å; I66-A178 HydrophobicContact CG2-CB 3.99Å; I66-A178 VanDerWaalsContact CG2-O 3.29Å; I66-A178 WeakPolarHBondContact CG2-O 3.47Å; R174-A178 WeakPolarHBondContact O-CB 3.31Å; R174-A178 PolarHBondContact O-N 3.25Å; V175-A178 PolarHBondContact O-N 2.9Å; Y176-A178 VanDerWaalsContact C-N 3.28Å; Y176-A178 PolarHBondContact O-N 2.97Å; A178-A182 WeakPolarHBondContact O-CB 3.3Å; A178-A182 PolarHBondContact O-N 2.92Å
179	C	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-41.4	172.8	-71.2	0	0	0	0	111.3	I66 F163 V175 Y176 D177 D181 A182 F183	I66-C179 VanDerWaalsContact CD1-SG 3.56Å; F163-C179 HydrophobicContact CE1-CB 3.94Å; F163-C179 HydrophobicContact CZ-CB 4.14Å; V175-C179 PolarHBondContact O-N 3.42Å; V175-C179 PolarHBondContact O-SG 2.83Å; Y176-C179 WeakPolarHBondContact O-CA 3.49Å; Y176-C179 VanDerWaalsContact O-CB 3.32Å; Y176-C179 WeakPolarHBondContact O-CB 3.49Å; Y176-C179 PolarHBondContact O-N 2.77Å; D177-C179 VanDerWaalsContact C-N 3.34Å; D177-C179 PolarHBondContact O-N 3.46Å; C179-D181 PolarHBondContact O-N 2.81Å; C179-A182 CarbonylContact O-C 3.59Å; C179-A182 WeakPolarHBondContact O-CB 3.34Å; C179-A182 PolarHBondContact O-N 3.14Å; C179-A182 VanDerWaalsContact O-N 3.15Å; C179-F183 HydrophobicContact CB-CE1 4.49Å; C179-F183 HydrophobicContact CB-CE2 4.41Å; C179-F183 HydrophobicContact CB-CZ 4.21Å; C179-F183 WeakPolarHBondContact O-CB 3.46Å; C179-F183 VanDerWaalsContact O-CD1 3.3Å; C179-F183 WeakPolarHBondContact O-CD1 3.25Å; C179-F183 WeakPolarHBondContact O-CG 3.26Å; C179-F183 PolarHBondContact O-N 3.49Å
180	M	98.9	Very high	98.9	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-44.9	179	-62.7	-59.1	102	0	0	111.7	R155 T158 F163 Y176 D177 A182 F183 D184	R155-M180 HydrophobicContact CB-SD 4.19Å; R155-M180 HydrophobicContact CG-CB 3.99Å; R155-M180 HydrophobicContact CG-CG 3.68Å; R155-M180 HydrophobicContact CG-SD 3.54Å; R155-M180 VanDerWaalsContact CG-SD 3.54Å; T158-M180 HydrophobicContact CG2-CE 4.26Å; F163-M180 HydrophobicContact CD1-CE 4.04Å; F163-M180 HydrophobicContact CE1-CE 3.85Å; Y176-M180 HydrophobicContact CD1-CG 4.22Å; Y176-M180 HydrophobicContact CD2-CE 3.97Å; Y176-M180 HydrophobicContact CD2-CG 4.46Å; Y176-M180 HydrophobicContact CE1-CG 3.78Å; Y176-M180 HydrophobicContact CE1-SD 4.38Å; Y176-M180 HydrophobicContact CE2-CE 3.54Å; Y176-M180 HydrophobicContact CE2-CG 4.05Å; Y176-M180 HydrophobicContact CE2-SD 3.8Å; Y176-M180 WeakPolarHBondContact O-CG 3.47Å; Y176-M180 PolarHBondContact O-N 2.94Å; D177-M180 WeakPolarHBondContact O-CB 3.24Å; D177-M180 PolarHBondContact O-N 3.45Å; D177-M180 VanDerWaalsContact O-N 3.16Å; M180-A182 VanDerWaalsContact C-N 3.28Å; M180-A182 PolarHBondContact O-N 3.48Å; M180-F183 HydrophobicContact CE-CD2 3.44Å; M180-F183 VanDerWaalsContact CE-CD2 3.44Å; M180-F183 HydrophobicContact CE-CE2 3.42Å; M180-F183 VanDerWaalsContact CE-CE2 3.42Å; M180-F183 PolarHBondContact O-N 2.98Å; M180-F183 HydrophobicContact SD-CD2 4.34Å; M180-D184 PolarHBondContact O-N 3.41Å
181	D	98.9	Very high	98.9	Very high	91 Å²	91	24 Å²	24	49%	0.487	12%	0.118	S	C	.	.	H	α-helix	trans	-65.5	-32.9	175.5	-68.5	-11.2	0	0	0	112.2	R155 D177 C179 C185	R155-D181 IonicContact NH2-OD1 2.87Å; R155-D181 PolarHBondContact NH2-OD1 3.14Å; D177-D181 PolarHBondContact O-N 3.43Å; C179-D181 PolarHBondContact O-N 2.81Å; D181-C185 PolarHBondContact O-SG 2.82Å
182	A	98.9	Very high	98.9	Very high	1 Å²	1	23 Å²	23	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-69.6	-38.8	173.6	0	0	0	0	0	112.2	I66 A70 W135 A178 C179 M180 D184 C185	I66-A182 HydrophobicContact CG2-CB 3.76Å; A70-A182 HydrophobicContact CB-CB 3.68Å; W135-A182 HydrophobicContact CZ2-CB 4.24Å; A178-A182 WeakPolarHBondContact O-CB 3.3Å; A178-A182 PolarHBondContact O-N 2.92Å; C179-A182 CarbonylContact O-C 3.59Å; C179-A182 WeakPolarHBondContact O-CB 3.34Å; C179-A182 PolarHBondContact O-N 3.14Å; C179-A182 VanDerWaalsContact O-N 3.15Å; M180-A182 VanDerWaalsContact C-N 3.28Å; M180-A182 PolarHBondContact O-N 3.48Å; A182-D184 VanDerWaalsContact C-N 3.34Å; A182-C185 VanDerWaalsContact O-CB 3.3Å; A182-C185 WeakPolarHBondContact O-CB 3.43Å; A182-C185 PolarHBondContact O-N 3.01Å
183	F	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.1	-36.1	178	-69.5	-8.2	0	0	0	112.1	V121 V131 W135 R149 E153 F163 C179 M180 C185 L186	V121-F183 HydrophobicContact CG1-CE2 4.35Å; V121-F183 HydrophobicContact CG1-CZ 3.81Å; V121-F183 HydrophobicContact CG2-CE2 4.25Å; V121-F183 HydrophobicContact CG2-CZ 4.45Å; V131-F183 HydrophobicContact CG2-CE1 4.18Å; V131-F183 HydrophobicContact CG2-CZ 4.02Å; W135-F183 AromaticContact CH2-CD1 3.94Å; W135-F183 HydrophobicContact CH2-CD1 3.94Å; W135-F183 AromaticContact CH2-CE1 3.68Å; W135-F183 HydrophobicContact CH2-CE1 3.68Å; W135-F183 AromaticContact CZ2-CD1 3.99Å; W135-F183 HydrophobicContact CZ2-CD1 3.99Å; W135-F183 HydrophobicContact CZ2-CE1 4.01Å; R149-F183 PolarHBondContact NE-O 3.24Å; E153-F183 HydrophobicContact CB-CB 3.95Å; E153-F183 HydrophobicContact CB-CD1 4.25Å; E153-F183 HydrophobicContact CB-CD2 3.8Å; E153-F183 HydrophobicContact CB-CE2 4.35Å; E153-F183 HydrophobicContact CB-CG 3.74Å; E153-F183 HydrophobicContact CG-CD1 3.92Å; E153-F183 HydrophobicContact CG-CD2 4Å; E153-F183 HydrophobicContact CG-CE1 4.05Å; E153-F183 HydrophobicContact CG-CE2 4.11Å; E153-F183 HydrophobicContact CG-CG 3.9Å; E153-F183 HydrophobicContact CG-CZ 4.15Å; F163-F183 HydrophobicContact CD1-CE2 4.32Å; F163-F183 AromaticContact CE1-CE2 3.77Å; F163-F183 HydrophobicContact CE1-CE2 3.77Å; F163-F183 AromaticContact CE1-CZ 3.87Å; F163-F183 HydrophobicContact CE1-CZ 3.87Å; F163-F183 HydrophobicContact CZ-CZ 4.23Å; C179-F183 HydrophobicContact CB-CE1 4.49Å; C179-F183 HydrophobicContact CB-CE2 4.41Å; C179-F183 HydrophobicContact CB-CZ 4.21Å; C179-F183 WeakPolarHBondContact O-CB 3.46Å; C179-F183 VanDerWaalsContact O-CD1 3.3Å; C179-F183 WeakPolarHBondContact O-CD1 3.25Å; C179-F183 WeakPolarHBondContact O-CG 3.26Å; C179-F183 PolarHBondContact O-N 3.49Å; M180-F183 HydrophobicContact CE-CD2 3.44Å; M180-F183 VanDerWaalsContact CE-CD2 3.44Å; M180-F183 HydrophobicContact CE-CE2 3.42Å; M180-F183 VanDerWaalsContact CE-CE2 3.42Å; M180-F183 PolarHBondContact O-N 2.98Å; M180-F183 HydrophobicContact SD-CD2 4.34Å; F183-C185 PolarHBondContact O-N 2.82Å; F183-C185 VanDerWaalsContact O-N 3.12Å; F183-L186 HydrophobicContact CB-CD1 4.34Å; F183-L186 HydrophobicContact CD1-CD1 3.98Å; F183-L186 HydrophobicContact CG-CD1 4.44Å; F183-L186 WeakPolarHBondContact O-CB 3.4Å; F183-L186 PolarHBondContact O-N 3.23Å; F183-L186 VanDerWaalsContact O-N 3.12Å
184	D	98.9	Very high	98.9	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.091	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.7	172	-67.8	-21.1	0	0	0	112.9	R149 R155 M180 A182 F219 K220	R149-D184 IonicContact CZ-OD1 2.77Å; R149-D184 IonicContact NH1-OD1 3.88Å; R149-D184 PolarHBondContact NH1-OD1 2.74Å; R149-D184 IonicContact NH2-OD1 2.81Å; R149-D184 PolarHBondContact NH2-OD1 3.38Å; R155-D184 IonicContact CZ-OD2 2.66Å; R155-D184 VanDerWaalsContact CZ-OD2 3.31Å; R155-D184 IonicContact NH1-OD1 2.86Å; R155-D184 PolarHBondContact NH1-OD1 2.84Å; R155-D184 IonicContact NH1-OD2 3.72Å; R155-D184 PolarHBondContact NH1-OD2 2.91Å; R155-D184 IonicContact NH2-OD2 3.59Å; R155-D184 PolarHBondContact NH2-OD2 2.91Å; M180-D184 PolarHBondContact O-N 3.41Å; A182-D184 VanDerWaalsContact C-N 3.34Å; D184-F219 WeakPolarHBondContact O-CA 3.33Å; D184-F219 WeakPolarHBondContact O-CD1 3.47Å; D184-K220 VanDerWaalsContact OD1-C 3.25Å; D184-K220 VanDerWaalsContact OD1-O 3.1Å
185	C	98.9	Very high	98.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.8	178.2	-58.9	0	0	0	0	113.9	L73 R74 D181 A182 F183 R218 F219	L73-C185 CarbonylContact C-O 3.54Å; L73-C185 HydrophobicContact CB-CB 3.94Å; R74-C185 HydrophobicContact CB-CB 4.14Å; R74-C185 PolarHBondContact NE-SG 3.48Å; R74-C185 PolarHBondContact NH2-SG 2.92Å; D181-C185 PolarHBondContact O-SG 2.82Å; A182-C185 VanDerWaalsContact O-CB 3.3Å; A182-C185 WeakPolarHBondContact O-CB 3.43Å; A182-C185 PolarHBondContact O-N 3.01Å; F183-C185 PolarHBondContact O-N 2.82Å; F183-C185 VanDerWaalsContact O-N 3.12Å; C185-R218 PolarHBondContact O-NE 2.72Å; C185-R218 VanDerWaalsContact O-NE 3.15Å; C185-R218 PolarHBondContact O-NH2 3.08Å; C185-R218 VanDerWaalsContact O-NH2 3.09Å; C185-F219 HydrophobicContact CB-CE1 4.43Å
186	L	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-62	129.8	-175.6	-74.4	164.6	0	0	0	111.5	L73 Y120 W135 L147 R149 E153 F183 R218	L73-L186 HydrophobicContact CD1-CD2 3.68Å; L73-L186 HydrophobicContact CD1-CG 4.27Å; L73-L186 HydrophobicContact CD2-CD2 4.06Å; L73-L186 HydrophobicContact CG-CD2 4.47Å; Y120-L186 HydrophobicContact CE2-CD1 4.09Å; Y120-L186 HydrophobicContact CE2-CD2 4.41Å; W135-L186 HydrophobicContact CH2-CD1 4.32Å; W135-L186 HydrophobicContact CH2-CD2 4.2Å; W135-L186 HydrophobicContact CZ2-CD2 4.38Å; L147-L186 HydrophobicContact CB-CD2 3.74Å; R149-L186 HydrophobicContact CB-CB 3.65Å; R149-L186 HydrophobicContact CB-CD1 4.31Å; R149-L186 HydrophobicContact CG-CB 4.02Å; R149-L186 HydrophobicContact CG-CD1 4.12Å; E153-L186 HydrophobicContact CB-CD1 3.95Å; E153-L186 HydrophobicContact CG-CD1 3.71Å; F183-L186 HydrophobicContact CB-CD1 4.34Å; F183-L186 HydrophobicContact CD1-CD1 3.98Å; F183-L186 HydrophobicContact CG-CD1 4.44Å; F183-L186 WeakPolarHBondContact O-CB 3.4Å; F183-L186 PolarHBondContact O-N 3.23Å; F183-L186 VanDerWaalsContact O-N 3.12Å; L186-R218 VanDerWaalsContact O-CD 3.28Å; L186-R218 WeakPolarHBondContact O-CD 3.43Å; L186-R218 PolarHBondContact O-NE 2.88Å
187	P	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.			trans	-53.8	151.2	169.1	-27.9	35.9	0	0	0	113.1	E76 K77 L80 L147 L148 R149	E76-P187 HydrophobicContact CB-CG 4.01Å; K77-P187 WeakPolarHBondContact O-CB 3.3Å; L80-P187 HydrophobicContact CD1-CB 4.02Å; L80-P187 HydrophobicContact CD1-CG 4.05Å; L80-P187 HydrophobicContact CD2-CB 3.98Å; L80-P187 HydrophobicContact CD2-CG 3.76Å; L80-P187 HydrophobicContact CG-CB 3.82Å; L80-P187 HydrophobicContact CG-CG 4.06Å; L147-P187 WeakPolarHBondContact O-CD 3.13Å; L148-P187 CarbonylContact C-O 3.57Å; L148-P187 WeakPolarHBondContact CA-O 3.39Å; L148-P187 HydrophobicContact CD2-CB 3.91Å; R149-P187 PolarHBondContact N-O 2.83Å
188	L	98.9	Very high	98.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-94.5	-24.1	-175.8	-58.8	-180	0	0	0	112.9	N78 R149 L216 R218 M228 L231	N78-L188 PolarHBondContact O-N 3.44Å; R149-L188 HydrophobicContact CB-CD2 4.21Å; L188-L216 HydrophobicContact CD1-CB 4.34Å; L188-L216 HydrophobicContact CD1-CD1 3.89Å; L188-R218 HydrophobicContact CD1-CB 3.83Å; L188-R218 HydrophobicContact CD2-CB 4.22Å; L188-R218 HydrophobicContact CG-CB 3.95Å; L188-M228 HydrophobicContact CD1-CG 4.14Å; L188-M228 HydrophobicContact CD2-CE 4.23Å; L188-M228 HydrophobicContact CD2-CG 4.43Å; L188-L231 HydrophobicContact CB-CD1 4.24Å; L188-L231 HydrophobicContact CD1-CD1 4.3Å
189	A	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	165.7	-175.1	0	0	0	0	0	112	N78 L79 L80 L197 C198 V199 I213	N78-A189 PolarHBondContact O-N 3.16Å; L79-A189 WeakPolarHBondContact CA-O 3.4Å; L79-A189 HydrophobicContact CD1-CB 3.55Å; L80-A189 PolarHBondContact N-O 3.22Å; A189-L197 HydrophobicContact CB-CD1 4.11Å; A189-C198 CarbonylContact C-O 3.35Å; A189-C198 VanDerWaalsContact CA-O 3.25Å; A189-C198 WeakPolarHBondContact CA-O 3.34Å; A189-V199 HydrophobicContact CB-CG1 3.75Å; A189-I213 HydrophobicContact CB-CD1 4.26Å; A189-I213 HydrophobicContact CB-CG2 3.99Å
190	A	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.2	165.6	0	0	0	0	0	111.5	L80 I82 L115 L148 C198	L80-A190 HydrophobicContact CB-CB 3.9Å; L80-A190 CarbonylContact O-C 3.55Å; L80-A190 WeakPolarHBondContact O-CA 3.25Å; I82-A190 HydrophobicContact CD1-CB 3.67Å; I82-A190 HydrophobicContact CG1-CB 4.27Å; L115-A190 HydrophobicContact CD1-CB 4.12Å; L115-A190 HydrophobicContact CD2-CB 3.95Å; L148-A190 HydrophobicContact CD1-CB 4.49Å; L148-A190 HydrophobicContact CD2-CB 4.44Å; A190-C198 HydrophobicContact CB-CB 4.17Å; A190-C198 PolarHBondContact N-O 3.09Å; A190-C198 PolarHBondContact O-N 3.28Å
191	L	98.9	Very high	98.8	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	102	164.3	179.3	60.1	0	0	0	107.9	L79 L80 I82 Q194 F196 L210 L275	L79-L191 HydrophobicContact CD1-CB 4.17Å; L79-L191 HydrophobicContact CD2-CB 4.47Å; L79-L191 HydrophobicContact CG-CB 4.34Å; L80-L191 PolarHBondContact O-N 3.15Å; I82-L191 PolarHBondContact N-O 3.48Å; L191-Q194 VanDerWaalsContact CD2-OE1 3.28Å; L191-F196 WeakPolarHBondContact CA-O 3.31Å; L191-L210 HydrophobicContact CD1-CD1 4.14Å; L191-L210 HydrophobicContact CD2-CD1 4Å; L191-L275 HydrophobicContact CD1-CD2 3.51Å
192	M	98.6	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126	-176.9	-172.6	-82.9	-76.6	0	0	110.7	I82 V86 Q194 Q195 F196 I279 Y325	I82-M192 CarbonylContact O-C 3.44Å; I82-M192 WeakPolarHBondContact O-CA 3.29Å; V86-M192 HydrophobicContact CG1-CE 4.21Å; V86-M192 HydrophobicContact CG1-CG 3.7Å; V86-M192 HydrophobicContact CG1-SD 3.77Å; M192-Q194 PolarHBondContact O-N 3.02Å; M192-Q195 PolarHBondContact O-N 3.33Å; M192-F196 HydrophobicContact CB-CB 4.25Å; M192-F196 HydrophobicContact CE-CB 4.02Å; M192-F196 HydrophobicContact CE-CD2 3.15Å; M192-F196 HydrophobicContact CE-CE2 3.7Å; M192-F196 HydrophobicContact CE-CG 3.69Å; M192-F196 PolarHBondContact N-O 2.86Å; M192-F196 PolarHBondContact O-N 3.26Å; M192-F196 HydrophobicContact SD-CD2 3.69Å; M192-F196 HydrophobicContact SD-CE2 4.25Å; M192-I279 HydrophobicContact CE-CD1 3.9Å; M192-Y325 HydrophobicContact CE-CD1 4.13Å; M192-Y325 HydrophobicContact CE-CG 4.24Å; M192-Y325 HydrophobicContact SD-CD1 3.81Å; M192-Y325 HydrophobicContact SD-CE1 4.33Å; M192-Y325 HydrophobicContact SD-CG 4.49Å
193	N	98.3	Very high	98.8	Very high	47 Å²	47	12.4 Å²	12.4	25%	0.251	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	26.8	-179.3	-155.5	53	0	0	0	114.5	I82 A84 Q195 Y325	I82-N193 PolarHBondContact O-N 3.36Å; A84-N193 HydrophobicContact CB-CB 4.37Å; N193-Q195 PolarHBondContact ND2-OE1 3.44Å; N193-Q195 WeakPolarHBondContact O-CG 3.33Å; N193-Q195 PolarHBondContact O-N 3.3Å; N193-Q195 VanDerWaalsContact O-N 3.09Å; N193-Y325 HydrophobicContact CB-CE1 4.11Å
194	Q	98.4	Very high	98.8	Very high	123 Å²	123	12.4 Å²	12.4	58%	0.575	6%	0.061	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	20.4	-172.2	-55.8	-64	-50.6	0	0	113.9	L191 M192	L191-Q194 VanDerWaalsContact CD2-OE1 3.28Å; M192-Q194 PolarHBondContact O-N 3.02Å
195	Q	98.3	Very high	98.8	Very high	61 Å²	61	14.1 Å²	14.1	29%	0.285	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-31.1	-172.5	-75.7	178.1	-50.4	0	0	112.7	M192 N193 L276 Y325	M192-Q195 PolarHBondContact O-N 3.33Å; N193-Q195 PolarHBondContact ND2-OE1 3.44Å; N193-Q195 WeakPolarHBondContact O-CG 3.33Å; N193-Q195 PolarHBondContact O-N 3.3Å; N193-Q195 VanDerWaalsContact O-N 3.09Å; Q195-L276 HydrophobicContact CB-CB 4.24Å; Q195-L276 WeakPolarHBondContact O-CB 3.5Å; Q195-L276 PolarHBondContact O-N 2.96Å; Q195-Y325 PolarHBondContact OE1-OH 3.24Å; Q195-Y325 VanDerWaalsContact OE1-OH 3.06Å
196	F	98.8	Very high	98.7	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.6	-172.2	-53.9	-84.6	0	0	0	110.3	L191 M192 L276 S277 I279 F300 Y325 M330	L191-F196 WeakPolarHBondContact CA-O 3.31Å; M192-F196 HydrophobicContact CB-CB 4.25Å; M192-F196 HydrophobicContact CE-CB 4.02Å; M192-F196 HydrophobicContact CE-CD2 3.15Å; M192-F196 HydrophobicContact CE-CE2 3.7Å; M192-F196 HydrophobicContact CE-CG 3.69Å; M192-F196 PolarHBondContact N-O 2.86Å; M192-F196 PolarHBondContact O-N 3.26Å; M192-F196 HydrophobicContact SD-CD2 3.69Å; M192-F196 HydrophobicContact SD-CE2 4.25Å; F196-L276 HydrophobicContact CE1-CB 4.37Å; F196-L276 HydrophobicContact CE1-CD2 3.95Å; F196-L276 HydrophobicContact CE1-CG 4.27Å; F196-L276 HydrophobicContact CZ-CD2 3.78Å; F196-S277 WeakPolarHBondContact CA-O 3.48Å; F196-I279 HydrophobicContact CB-CD1 3.91Å; F196-I279 HydrophobicContact CB-CG1 4.31Å; F196-I279 HydrophobicContact CD1-CD1 3.79Å; F196-I279 HydrophobicContact CD1-CG1 4.1Å; F196-I279 HydrophobicContact CE1-CD1 4.48Å; F196-I279 HydrophobicContact CG-CD1 3.86Å; F196-I279 HydrophobicContact CG-CG1 4.47Å; F196-F300 AromaticContact CE1-CE1 3.8Å; F196-F300 HydrophobicContact CE1-CE1 3.8Å; F196-F300 HydrophobicContact CE1-CZ 4.17Å; F196-F300 HydrophobicContact CZ-CZ 4.48Å; F196-Y325 HydrophobicContact CE2-CE1 4.24Å; F196-Y325 HydrophobicContact CE2-CE2 4.2Å; F196-Y325 HydrophobicContact CZ-CE2 4.32Å; F196-M330 HydrophobicContact CD1-CE 4.43Å; F196-M330 HydrophobicContact CE1-CE 3.7Å; F196-M330 HydrophobicContact CZ-CE 3.79Å
197	L	98.9	Very high	98.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122	161	174.9	62.7	0	0	0	107.9	L79 A189 V199 L203 L210 I213 F269 L275 S277 I278 I279	L79-L197 HydrophobicContact CD1-CD1 4.14Å; A189-L197 HydrophobicContact CB-CD1 4.11Å; L197-V199 HydrophobicContact CD1-CG1 3.95Å; L197-V199 HydrophobicContact CD2-CG1 4.33Å; L197-V199 HydrophobicContact CG-CG1 3.98Å; L197-L203 HydrophobicContact CD2-CD2 4.42Å; L197-L210 HydrophobicContact CD1-CD2 4.02Å; L197-I213 HydrophobicContact CD1-CD1 3.97Å; L197-I213 HydrophobicContact CD2-CD1 4.41Å; L197-F269 HydrophobicContact CD2-CE1 3.52Å; L197-F269 HydrophobicContact CD2-CZ 3.79Å; L197-L275 HydrophobicContact CB-CD1 3.85Å; L197-S277 PolarHBondContact N-O 3.19Å; L197-I278 CarbonylContact O-C 3.57Å; L197-I278 WeakPolarHBondContact O-CA 3.3Å; L197-I279 PolarHBondContact O-N 2.87Å
198	C	98.9	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.4	175.9	-58	0	0	0	0	109.5	L115 L117 A189 A190 I279	L115-C198 HydrophobicContact CD2-CB 3.69Å; L117-C198 HydrophobicContact CD2-CB 3.87Å; A189-C198 CarbonylContact C-O 3.35Å; A189-C198 VanDerWaalsContact CA-O 3.25Å; A189-C198 WeakPolarHBondContact CA-O 3.34Å; A190-C198 HydrophobicContact CB-CB 4.17Å; A190-C198 PolarHBondContact N-O 3.09Å; A190-C198 PolarHBondContact O-N 3.28Å; C198-I279 VanDerWaalsContact CA-O 3.26Å; C198-I279 WeakPolarHBondContact CA-O 3.35Å
199	V	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167.8	-178.5	-68.9	0	0	0	0	109.3	A189 L197 L231 I278 I279 R280	A189-V199 HydrophobicContact CB-CG1 3.75Å; L197-V199 HydrophobicContact CD1-CG1 3.95Å; L197-V199 HydrophobicContact CD2-CG1 4.33Å; L197-V199 HydrophobicContact CG-CG1 3.98Å; V199-L231 HydrophobicContact CG1-CD2 3.85Å; V199-I278 HydrophobicContact CG2-CG2 4.2Å; V199-I279 PolarHBondContact N-O 3.12Å; V199-I279 VanDerWaalsContact N-O 3.14Å; V199-R280 HydrophobicContact CG2-CB 4.22Å; V199-R280 WeakPolarHBondContact O-CA 3.43Å
200	H	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-75.9	-63.6	175	-173.2	60.2	0	0	0	112.2	D91 L117 D119 G150 N151 L232 R280 A281 H282	D91-H200 IonicContact OD1-CE1 3.52Å; D91-H200 PolarHBondContact OD1-CE1 3.22Å; D91-H200 VanDerWaalsContact OD1-CE1 3.28Å; D91-H200 IonicContact OD1-ND1 2.77Å; L117-H200 VanDerWaalsContact O-CB 3.31Å; L117-H200 WeakPolarHBondContact O-CB 3.37Å; L117-H200 PolarHBondContact O-ND1 3.33Å; D119-H200 IonicContact OD1-CE1 3.26Å; D119-H200 IonicContact OD1-NE2 2.78Å; D119-H200 PolarHBondContact OD1-NE2 3.43Å; D119-H200 IonicContact OD2-CE1 2.89Å; D119-H200 PolarHBondContact OD2-CE1 2.66Å; D119-H200 IonicContact OD2-NE2 3.31Å; D119-H200 PolarHBondContact OD2-NE2 3.22Å; G150-H200 WeakPolarHBondContact CA-CD2 3.5Å; G150-H200 VanDerWaalsContact CA-CG 3.43Å; N151-H200 PolarHBondContact N-CD2 2.87Å; N151-H200 VanDerWaalsContact N-CD2 3.33Å; N151-H200 PolarHBondContact OD1-CD2 3Å; N151-H200 VanDerWaalsContact OD1-CD2 3.3Å; N151-H200 PolarHBondContact OD1-NE2 2.84Å; H200-L232 HydrophobicContact CB-CD2 4.33Å; H200-L232 PolarHBondContact CD2-O 3Å; H200-R280 PolarHBondContact O-NE 2.94Å; H200-A281 PolarHBondContact O-N 2.84Å; H200-H282 AromaticContact CD2-ND1 3.99Å; H200-H282 AromaticContact NE2-CG 3.84Å; H200-H282 AromaticContact NE2-ND1 3.53Å
201	G	98.8	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-81	-90.3	178.8	0	0	0	0	0	110.9	L231 S234 Y261 R280	G201-L231 VanDerWaalsContact CA-O 3.31Å; G201-L231 WeakPolarHBondContact CA-O 3.39Å; G201-L231 PolarHBondContact N-O 2.64Å; G201-S234 CarbonylContact C-O 3.19Å; G201-S234 WeakPolarHBondContact CA-O 3.28Å; G201-Y261 PolarHBondContact O-OH 3.37Å; G201-R280 WeakPolarHBondContact O-CB 3.34Å; G201-R280 WeakPolarHBondContact O-CG 3.4Å; G201-R280 PolarHBondContact O-NE 2.82Å; G201-R280 PolarHBondContact O-NH2 2.82Å; G201-R280 VanDerWaalsContact O-NH2 3.11Å
202	G	98.6	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.			trans	179.4	-136.2	-177.4	0	0	0	0	0	114.5	L231 S234	G202-L231 PolarHBondContact N-O 3.44Å; G202-S234 WeakPolarHBondContact CA-OG 3.22Å; G202-S234 PolarHBondContact N-OG 2.9Å
203	L	98.8	Very high	98.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.164	C	C	.	.			trans	-85.6	163.5	-175.2	-65.7	-177.5	0	0	0	112.9	L197 S234 F249 Y261 V266 F269 I278	L197-L203 HydrophobicContact CD2-CD2 4.42Å; L203-S234 PolarHBondContact N-OG 3Å; L203-S234 VanDerWaalsContact N-OG 3.08Å; L203-S234 VanDerWaalsContact O-CB 3.24Å; L203-S234 WeakPolarHBondContact O-CB 3.45Å; L203-S234 PolarHBondContact O-OG 3.2Å; L203-F249 HydrophobicContact CB-CE1 3.94Å; L203-F249 HydrophobicContact CB-CZ 4.17Å; L203-Y261 HydrophobicContact CB-CD1 4.23Å; L203-Y261 HydrophobicContact CB-CG 4.24Å; L203-V266 HydrophobicContact CD1-CB 4.42Å; L203-V266 HydrophobicContact CD1-CG2 3.83Å; L203-F269 HydrophobicContact CD1-CB 3.96Å; L203-F269 HydrophobicContact CD1-CG 4.27Å; L203-F269 HydrophobicContact CD2-CB 4.43Å; L203-F269 HydrophobicContact CD2-CD1 3.9Å; L203-F269 HydrophobicContact CD2-CD2 4.01Å; L203-F269 HydrophobicContact CD2-CE1 4.15Å; L203-F269 HydrophobicContact CD2-CE2 4.24Å; L203-F269 HydrophobicContact CD2-CG 3.83Å; L203-F269 HydrophobicContact CD2-CZ 4.31Å; L203-I278 HydrophobicContact CD1-CD1 3.86Å; L203-I278 HydrophobicContact CD2-CD1 3.59Å; L203-I278 HydrophobicContact CG-CD1 3.73Å
204	S	98.8	Very high	98.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.169	C	C	.	.			trans	-128.6	144.4	173.2	177	0	0	0	0	109.6	E206 I207 D230	S204-E206 PolarHBondContact O-N 3.29Å; S204-E206 PolarHBondContact OG-N 3.48Å; S204-E206 VanDerWaalsContact OG-N 3.08Å; S204-I207 PolarHBondContact O-N 2.83Å; S204-D230 VanDerWaalsContact CB-CB 3.47Å; S204-D230 WeakPolarHBondContact CB-OD2 3.45Å; S204-D230 PolarHBondContact OG-OD2 3.07Å
205	P	98.5	Very high	98.6	Very high	53 Å²	53	35.1 Å²	35.1	34%	0.344	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.2	167.9	26.7	-34.8	0	0	0	113.1	F249 Y259	P205-F249 HydrophobicContact CB-CD2 3.85Å; P205-F249 HydrophobicContact CB-CE2 4.09Å; P205-F249 HydrophobicContact CB-CG 4.14Å; P205-Y259 HydrophobicContact CG-CD2 3.86Å; P205-Y259 HydrophobicContact CG-CE2 3.59Å; P205-Y259 HydrophobicContact CG-CG 4.46Å
206	E	98.6	Very high	98.6	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2	179.7	-62.8	-177.5	-121.7	0	0	113.4	S204 G226 P227	S204-E206 PolarHBondContact O-N 3.29Å; S204-E206 PolarHBondContact OG-N 3.48Å; S204-E206 VanDerWaalsContact OG-N 3.08Å; E206-G226 WeakPolarHBondContact OE1-CA 3.25Å; E206-P227 HydrophobicContact CB-CB 4.24Å; E206-P227 HydrophobicContact CB-CG 4.45Å
207	I	98.7	Very high	98.6	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.036	19%	0.192	C	C	.	.			trans	-116.2	101.6	178.5	-61.5	173.1	0	0	0	108.4	S204 D212 I213 P227 L231 F269	S204-I207 PolarHBondContact O-N 2.83Å; I207-D212 HydrophobicContact CG2-CB 4.21Å; I207-I213 HydrophobicContact CD1-CG1 4.24Å; I207-I213 HydrophobicContact CG2-CD1 4.27Å; I207-I213 HydrophobicContact CG2-CG1 3.75Å; I207-P227 HydrophobicContact CD1-CB 3.74Å; I207-P227 HydrophobicContact CG1-CB 3.67Å; I207-L231 HydrophobicContact CD1-CD1 3.65Å; I207-L231 HydrophobicContact CD1-CD2 3.73Å; I207-L231 HydrophobicContact CD1-CG 3.5Å; I207-L231 VanDerWaalsContact CD1-CG 3.5Å; I207-F269 HydrophobicContact CG2-CE2 4.18Å
208	T	97.4	Very high	98.6	Very high	81 Å²	81	38.4 Å²	38.4	50%	0.497	19%	0.192	S	C	.	.			trans	-97.4	-28.3	-179.2	61.9	0	0	0	0	111.7	D212 H272 N273	T208-D212 PolarHBondContact N-OD2 2.97Å; T208-D212 PolarHBondContact OG1-OD2 2.87Å; T208-H272 PolarHBondContact O-CD2 3.02Å; T208-N273 PolarHBondContact O-ND2 3.18Å
209	N	97.5	Very high	98.6	Very high	37 Å²	37	42.8 Å²	42.8	20%	0.198	21%	0.212	C	C	.	.	S	Bend	trans	-141.3	167.9	-179	66	72.8	0	0	0	113.1	D211 D212 N273	N209-D211 VanDerWaalsContact C-N 3.27Å; N209-D211 PolarHBondContact O-N 3Å; N209-D211 WeakPolarHBondContact OD1-CA 3.24Å; N209-D211 VanDerWaalsContact OD1-CB 3.26Å; N209-D211 WeakPolarHBondContact OD1-CB 3.39Å; N209-D211 PolarHBondContact OD1-N 3.21Å; N209-D212 PolarHBondContact N-OD2 3.11Å; N209-D212 VanDerWaalsContact N-OD2 3.09Å; N209-D212 PolarHBondContact ND2-OD1 3.15Å; N209-D212 PolarHBondContact ND2-OD2 3.44Å; N209-D212 WeakPolarHBondContact O-CB 3.22Å; N209-D212 PolarHBondContact O-N 3.27Å; N209-D212 VanDerWaalsContact O-N 3.16Å; N209-D212 PolarHBondContact OD1-N 3.37Å; N209-D212 VanDerWaalsContact OD1-N 3.16Å; N209-N273 WeakPolarHBondContact CA-OD1 3.22Å; N209-N273 WeakPolarHBondContact CB-OD1 3.48Å
210	L	98.6	Very high	98.6	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-27.2	-179.2	-65.2	178.2	0	0	0	114.1	L79 L191 L197 D212 I213 R214 F269 N273 L275	L79-L210 HydrophobicContact CD2-CB 3.9Å; L79-L210 HydrophobicContact CD2-CD2 4.1Å; L79-L210 HydrophobicContact CD2-CG 4.41Å; L191-L210 HydrophobicContact CD1-CD1 4.14Å; L191-L210 HydrophobicContact CD2-CD1 4Å; L197-L210 HydrophobicContact CD1-CD2 4.02Å; L210-D212 VanDerWaalsContact C-N 3.28Å; L210-D212 PolarHBondContact O-N 3.29Å; L210-I213 HydrophobicContact CD2-CD1 4.4Å; L210-I213 PolarHBondContact O-N 3.47Å; L210-R214 WeakPolarHBondContact O-CG 3.4Å; L210-R214 PolarHBondContact O-N 2.75Å; L210-F269 HydrophobicContact CD2-CZ 4.36Å; L210-N273 HydrophobicContact CG-CB 4.41Å; L210-N273 PolarHBondContact N-OD1 3.36Å; L210-L275 HydrophobicContact CD2-CD1 4.3Å
211	D	98.6	Very high	98.5	Very high	82 Å²	82	49.3 Å²	49.3	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-69.8	-26.3	176.3	-74.2	-31.6	0	0	0	112.4	N209 I213 R214 K215	N209-D211 VanDerWaalsContact C-N 3.27Å; N209-D211 PolarHBondContact O-N 3Å; N209-D211 WeakPolarHBondContact OD1-CA 3.24Å; N209-D211 VanDerWaalsContact OD1-CB 3.26Å; N209-D211 WeakPolarHBondContact OD1-CB 3.39Å; N209-D211 PolarHBondContact OD1-N 3.21Å; D211-I213 VanDerWaalsContact C-N 3.29Å; D211-I213 PolarHBondContact O-N 3.16Å; D211-R214 WeakPolarHBondContact O-CB 3.2Å; D211-R214 PolarHBondContact O-N 3.39Å; D211-R214 VanDerWaalsContact O-N 3.16Å; D211-R214 WeakPolarHBondContact OD1-CD 3Å; D211-R214 IonicContact OD1-CZ 2.9Å; D211-R214 IonicContact OD1-NE 2.65Å; D211-R214 IonicContact OD1-NH1 3.6Å; D211-R214 PolarHBondContact OD1-NH1 3.48Å; D211-K215 VanDerWaalsContact O-CG 3.3Å; D211-K215 WeakPolarHBondContact O-CG 3.22Å; D211-K215 PolarHBondContact O-N 3.5Å; D211-K215 VanDerWaalsContact O-N 3.15Å
212	D	98.8	Very high	98.5	Very high	32 Å²	32	50.1 Å²	50.1	17%	0.171	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-39.6	176.5	-59.4	-26.5	0	0	0	110.5	I207 T208 N209 L210 R214 K215	I207-D212 HydrophobicContact CG2-CB 4.21Å; T208-D212 PolarHBondContact N-OD2 2.97Å; T208-D212 PolarHBondContact OG1-OD2 2.87Å; N209-D212 PolarHBondContact N-OD2 3.11Å; N209-D212 VanDerWaalsContact N-OD2 3.09Å; N209-D212 PolarHBondContact ND2-OD1 3.15Å; N209-D212 PolarHBondContact ND2-OD2 3.44Å; N209-D212 WeakPolarHBondContact O-CB 3.22Å; N209-D212 PolarHBondContact O-N 3.27Å; N209-D212 VanDerWaalsContact O-N 3.16Å; N209-D212 PolarHBondContact OD1-N 3.37Å; N209-D212 VanDerWaalsContact OD1-N 3.16Å; L210-D212 VanDerWaalsContact C-N 3.28Å; L210-D212 PolarHBondContact O-N 3.29Å; D212-R214 PolarHBondContact O-N 2.97Å; D212-K215 PolarHBondContact O-N 3.04Å; D212-K215 IonicContact OD1-NZ 3.86Å
213	I	98.8	Very high	98.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-41.8	173.4	-54.6	175.3	0	0	0	111	N78 L79 A189 L197 I207 L210 D211 K215 L216 L231	N78-I213 WeakPolarHBondContact CB-O 3.29Å; N78-I213 PolarHBondContact ND2-O 3.05Å; L79-I213 HydrophobicContact CB-CG2 4.23Å; A189-I213 HydrophobicContact CB-CD1 4.26Å; A189-I213 HydrophobicContact CB-CG2 3.99Å; L197-I213 HydrophobicContact CD1-CD1 3.97Å; L197-I213 HydrophobicContact CD2-CD1 4.41Å; I207-I213 HydrophobicContact CD1-CG1 4.24Å; I207-I213 HydrophobicContact CG2-CD1 4.27Å; I207-I213 HydrophobicContact CG2-CG1 3.75Å; L210-I213 HydrophobicContact CD2-CD1 4.4Å; L210-I213 PolarHBondContact O-N 3.47Å; D211-I213 VanDerWaalsContact C-N 3.29Å; D211-I213 PolarHBondContact O-N 3.16Å; I213-K215 PolarHBondContact O-N 2.78Å; I213-L216 PolarHBondContact O-N 3.42Å; I213-L231 HydrophobicContact CD1-CD2 4.33Å; I213-L231 HydrophobicContact CG1-CD1 4.44Å; I213-L231 HydrophobicContact CG2-CD1 4.26Å
214	R	98.7	Very high	98.2	Very high	99 Å²	99	53 Å²	53	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-27.4	-178.7	-65.8	176.8	-176.2	112.9	3.4	112.7	L79 L210 D211 D212	L79-R214 HydrophobicContact CB-CG 4.05Å; L79-R214 HydrophobicContact CD2-CG 4.23Å; L210-R214 WeakPolarHBondContact O-CG 3.4Å; L210-R214 PolarHBondContact O-N 2.75Å; D211-R214 WeakPolarHBondContact O-CB 3.2Å; D211-R214 PolarHBondContact O-N 3.39Å; D211-R214 VanDerWaalsContact O-N 3.16Å; D211-R214 WeakPolarHBondContact OD1-CD 3Å; D211-R214 IonicContact OD1-CZ 2.9Å; D211-R214 IonicContact OD1-NE 2.65Å; D211-R214 IonicContact OD1-NH1 3.6Å; D211-R214 PolarHBondContact OD1-NH1 3.48Å; D212-R214 PolarHBondContact O-N 2.97Å
215	K	98.6	Very high	98.1	Very high	152 Å²	152	61.7 Å²	61.7	66%	0.661	30%	0.301	S	S	*	.	H	α-helix	trans	-84.9	-14	-177.8	-68.1	164.4	-165.7	158.9	0	114.3	D211 D212 I213	D211-K215 VanDerWaalsContact O-CG 3.3Å; D211-K215 WeakPolarHBondContact O-CG 3.22Å; D211-K215 PolarHBondContact O-N 3.5Å; D211-K215 VanDerWaalsContact O-N 3.15Å; D212-K215 PolarHBondContact O-N 3.04Å; D212-K215 IonicContact OD1-NZ 3.86Å; I213-K215 PolarHBondContact O-N 2.78Å
216	L	98.7	Very high	98.1	Very high	35 Å²	35	59.6 Å²	59.6	18%	0.183	29%	0.288	C	S	.	.			trans	-63.2	141.1	-176.9	-62.1	178.3	0	0	0	111.7	N78 L188 I213 R218 P227 L231	N78-L216 PolarHBondContact ND2-O 2.79Å; L188-L216 HydrophobicContact CD1-CB 4.34Å; L188-L216 HydrophobicContact CD1-CD1 3.89Å; I213-L216 PolarHBondContact O-N 3.42Å; L216-R218 PolarHBondContact O-N 3.43Å; L216-P227 HydrophobicContact CD1-CB 4.32Å; L216-P227 HydrophobicContact CD2-CB 3.96Å; L216-P227 HydrophobicContact CD2-CG 3.55Å; L216-L231 HydrophobicContact CD1-CD1 3.76Å
217	D	98.6	Very high	98.1	Very high	91 Å²	91	55.5 Å²	55.5	49%	0.487	27%	0.271	S	S	.	.			trans	-86.3	104.9	163.3	174.4	25.4	0	0	0	108.8	F219 K220	D217-F219 PolarHBondContact OD1-N 3.37Å; D217-K220 WeakPolarHBondContact O-CE 3.38Å; D217-K220 PolarHBondContact O-NZ 3.1Å
218	R	98.8	Very high	98.1	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.023	27%	0.271	C	S	.	.			trans	-89.7	-14	-175.8	77.1	174	-169.5	-86.7	2.2	114.5	L73 E76 N78 R149 C185 L186 L188 L216 K220	L73-R218 PolarHBondContact O-NH2 3.09Å; E76-R218 VanDerWaalsContact O-CZ 3.32Å; E76-R218 PolarHBondContact O-NH1 2.87Å; E76-R218 PolarHBondContact O-NH2 2.76Å; N78-R218 VanDerWaalsContact OD1-CD 3.24Å; N78-R218 WeakPolarHBondContact OD1-CD 3.31Å; N78-R218 WeakPolarHBondContact OD1-CG 3.46Å; N78-R218 PolarHBondContact OD1-NH1 3.05Å; R149-R218 PolarHBondContact NH1-O 3.22Å; C185-R218 PolarHBondContact O-NE 2.72Å; C185-R218 VanDerWaalsContact O-NE 3.15Å; C185-R218 PolarHBondContact O-NH2 3.08Å; C185-R218 VanDerWaalsContact O-NH2 3.09Å; L186-R218 VanDerWaalsContact O-CD 3.28Å; L186-R218 WeakPolarHBondContact O-CD 3.43Å; L186-R218 PolarHBondContact O-NE 2.88Å; L188-R218 HydrophobicContact CD1-CB 3.83Å; L188-R218 HydrophobicContact CD2-CB 4.22Å; L188-R218 HydrophobicContact CG-CB 3.95Å; L216-R218 PolarHBondContact O-N 3.43Å; R218-K220 PolarHBondContact O-N 3.24Å
219	F	98.8	Very high	98.2	Very high	92 Å²	92	51.5 Å²	51.5	40%	0.404	25%	0.247	S	C	.	.	S	Bend	trans	-81.5	57.3	-169.8	-61.3	-70.1	0	0	0	112.4	R74 D184 C185 D217	R74-F219 HydrophobicContact CB-CE1 4.36Å; R74-F219 HydrophobicContact CG-CE1 3.82Å; R74-F219 HydrophobicContact CG-CZ 4.17Å; D184-F219 WeakPolarHBondContact O-CA 3.33Å; D184-F219 WeakPolarHBondContact O-CD1 3.47Å; C185-F219 HydrophobicContact CB-CE1 4.43Å; D217-F219 PolarHBondContact OD1-N 3.37Å
220	K	98.4	Very high	98.3	Very high	82 Å²	82	49.8 Å²	49.8	36%	0.357	24%	0.238	S	C	.	.	S	Bend	trans	-160.5	166.1	-174.8	61.5	-171.3	-173.9	-147.1	0	110.5	R149 D184 D217 R218 M228	R149-K220 PolarHBondContact NH1-O 3.3Å; D184-K220 VanDerWaalsContact OD1-C 3.25Å; D184-K220 VanDerWaalsContact OD1-O 3.1Å; D217-K220 WeakPolarHBondContact O-CE 3.38Å; D217-K220 PolarHBondContact O-NZ 3.1Å; R218-K220 PolarHBondContact O-N 3.24Å; K220-M228 HydrophobicContact CG-SD 4.21Å
221	E	98.5	Very high	98.3	Very high	55 Å²	55	49.1 Å²	49.1	26%	0.257	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-56	133.9	163.8	-172	68	-171.5	0	0	110	C154 R155 H156	C154-E221 VanDerWaalsContact CB-OE1 3.25Å; C154-E221 WeakPolarHBondContact CB-OE1 3.39Å; R155-E221 WeakPolarHBondContact CB-OE2 3.2Å; R155-E221 WeakPolarHBondContact CG-OE2 3.37Å; R155-E221 IonicContact CZ-OE2 2.9Å; R155-E221 VanDerWaalsContact N-CD 3.34Å; R155-E221 PolarHBondContact N-OE1 3.44Å; R155-E221 PolarHBondContact N-OE2 3.44Å; R155-E221 IonicContact NH1-OE2 2.74Å; R155-E221 PolarHBondContact NH1-OE2 3.4Å; H156-E221 PolarHBondContact N-OE1 2.89Å
222	P	98.5	Very high	98.3	Very high	17 Å²	17	45.2 Å²	45.2	11%	0.11	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-55.8	129	176.3	-22.8	33.7	0	0	0	110.6	C154 M228 L232	C154-P222 HydrophobicContact CB-CG 3.88Å; P222-M228 HydrophobicContact CB-CE 4.27Å; P222-M228 HydrophobicContact CG-CE 4.09Å; P222-L232 HydrophobicContact CB-CD1 4.07Å; P222-L232 HydrophobicContact CG-CD1 3.9Å
223	P	97.4	Very high	98.3	Very high	43 Å²	43	44 Å²	44	28%	0.279	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-65.5	160.9	174.6	29.7	-35	0	0	0	110.4	Y225 M228 C229	P223-Y225 WeakPolarHBondContact CB-O 3.49Å; P223-Y225 VanDerWaalsContact CG-O 3.28Å; P223-Y225 WeakPolarHBondContact CG-O 3.29Å; P223-Y225 PolarHBondContact O-N 3.07Å; P223-M228 HydrophobicContact CG-CB 4.33Å; P223-C229 VanDerWaalsContact O-CB 3.31Å; P223-C229 WeakPolarHBondContact O-CB 3.39Å
224	A	93.6	Very high	98.3	Very high	21 Å²	21	44 Å²	44	17%	0.174	21%	0.207	C	C	.	.	S	Bend	trans	-71.7	-14.4	176.2	0	0	0	0	0	114	C229 M483	A224-C229 PolarHBondContact O-SG 2.74Å; A224-M483 HydrophobicContact CB-SD 4.42Å
225	Y	97	Very high	98.3	Very high	184 Å²	184	39.3 Å²	39.3	72%	0.722	19%	0.189	S	C	*	.	S	Bend	trans	-147.9	166.2	-179.5	58.5	-95.1	0	0	0	110.2	P223	P223-Y225 WeakPolarHBondContact CB-O 3.49Å; P223-Y225 VanDerWaalsContact CG-O 3.28Å; P223-Y225 WeakPolarHBondContact CG-O 3.29Å; P223-Y225 PolarHBondContact O-N 3.07Å
226	G	98.3	Very high	98.3	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	16%	0.159	C	C	.	.	S	Bend	trans	93.8	-179.9	178	0	0	0	0	0	113.1	E206 M228 C229 D230	E206-G226 WeakPolarHBondContact OE1-CA 3.25Å; G226-M228 VanDerWaalsContact C-N 3.3Å; G226-M228 PolarHBondContact O-N 3.03Å; G226-M228 VanDerWaalsContact O-N 3.12Å; G226-C229 WeakPolarHBondContact O-CA 3.37Å; G226-C229 VanDerWaalsContact O-CB 3.26Å; G226-C229 WeakPolarHBondContact O-CB 3.24Å; G226-C229 PolarHBondContact O-N 3Å; G226-D230 PolarHBondContact O-N 3.34Å
227	P	98.6	Very high	98.3	Very high	26 Å²	26	32 Å²	32	17%	0.169	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-34	-162.8	20.6	-34.2	0	0	0	114.2	E206 I207 L216 L231	E206-P227 HydrophobicContact CB-CB 4.24Å; E206-P227 HydrophobicContact CB-CG 4.45Å; I207-P227 HydrophobicContact CD1-CB 3.74Å; I207-P227 HydrophobicContact CG1-CB 3.67Å; L216-P227 HydrophobicContact CD1-CB 4.32Å; L216-P227 HydrophobicContact CD2-CB 3.96Å; L216-P227 HydrophobicContact CD2-CG 3.55Å; P227-L231 VanDerWaalsContact O-CG 3.3Å; P227-L231 WeakPolarHBondContact O-CG 3.43Å; P227-L231 PolarHBondContact O-N 3.16Å; P227-L231 VanDerWaalsContact O-N 3.09Å
228	M	98.8	Very high	98.1	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-70.9	-36.7	175.5	-177.9	179.3	176.5	0	0	112.3	L188 K220 P222 P223 G226 L232	L188-M228 HydrophobicContact CD1-CG 4.14Å; L188-M228 HydrophobicContact CD2-CE 4.23Å; L188-M228 HydrophobicContact CD2-CG 4.43Å; K220-M228 HydrophobicContact CG-SD 4.21Å; P222-M228 HydrophobicContact CB-CE 4.27Å; P222-M228 HydrophobicContact CG-CE 4.09Å; P223-M228 HydrophobicContact CG-CB 4.33Å; G226-M228 VanDerWaalsContact C-N 3.3Å; G226-M228 PolarHBondContact O-N 3.03Å; G226-M228 VanDerWaalsContact O-N 3.12Å; M228-L232 WeakPolarHBondContact O-CG 3.25Å
229	C	98.8	Very high	97.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-49	173.2	-175.4	0	0	0	0	109.4	P223 A224 G226 L231 L232 W233	P223-C229 VanDerWaalsContact O-CB 3.31Å; P223-C229 WeakPolarHBondContact O-CB 3.39Å; A224-C229 PolarHBondContact O-SG 2.74Å; G226-C229 WeakPolarHBondContact O-CA 3.37Å; G226-C229 VanDerWaalsContact O-CB 3.26Å; G226-C229 WeakPolarHBondContact O-CB 3.24Å; G226-C229 PolarHBondContact O-N 3Å; C229-L231 PolarHBondContact O-N 3.37Å; C229-L232 PolarHBondContact O-N 3.3Å; C229-W233 WeakPolarHBondContact O-CB 3.39Å; C229-W233 PolarHBondContact O-N 3.24Å
230	D	98.9	Very high	97.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-41.1	-173.2	-60.2	-17.6	0	0	0	112.8	S204 G226 L232 W233 S234 S258	S204-D230 VanDerWaalsContact CB-CB 3.47Å; S204-D230 WeakPolarHBondContact CB-OD2 3.45Å; S204-D230 PolarHBondContact OG-OD2 3.07Å; G226-D230 PolarHBondContact O-N 3.34Å; D230-L232 PolarHBondContact O-N 3.39Å; D230-L232 VanDerWaalsContact O-N 3.11Å; D230-W233 PolarHBondContact O-N 3.13Å; D230-S234 VanDerWaalsContact O-CB 3.29Å; D230-S234 WeakPolarHBondContact O-CB 3.41Å; D230-S234 PolarHBondContact O-N 2.79Å; D230-S234 PolarHBondContact O-OG 3.48Å; D230-S258 WeakPolarHBondContact CA-OG 3.43Å; D230-S258 PolarHBondContact OD1-OG 3.43Å
231	L	98.9	Very high	97.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-56.2	-28.1	174.2	-76.6	170.7	0	0	0	113.2	L188 V199 G201 G202 I207 I213 L216 P227 C229	L188-L231 HydrophobicContact CB-CD1 4.24Å; L188-L231 HydrophobicContact CD1-CD1 4.3Å; V199-L231 HydrophobicContact CG1-CD2 3.85Å; G201-L231 VanDerWaalsContact CA-O 3.31Å; G201-L231 WeakPolarHBondContact CA-O 3.39Å; G201-L231 PolarHBondContact N-O 2.64Å; G202-L231 PolarHBondContact N-O 3.44Å; I207-L231 HydrophobicContact CD1-CD1 3.65Å; I207-L231 HydrophobicContact CD1-CD2 3.73Å; I207-L231 HydrophobicContact CD1-CG 3.5Å; I207-L231 VanDerWaalsContact CD1-CG 3.5Å; I213-L231 HydrophobicContact CD1-CD2 4.33Å; I213-L231 HydrophobicContact CG1-CD1 4.44Å; I213-L231 HydrophobicContact CG2-CD1 4.26Å; L216-L231 HydrophobicContact CD1-CD1 3.76Å; P227-L231 VanDerWaalsContact O-CG 3.3Å; P227-L231 WeakPolarHBondContact O-CG 3.43Å; P227-L231 PolarHBondContact O-N 3.16Å; P227-L231 VanDerWaalsContact O-N 3.09Å; C229-L231 PolarHBondContact O-N 3.37Å
232	L	98.9	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-97.7	-24.8	-177.6	-56.4	179.8	0	0	0	113	R149 N151 H200 P222 M228 C229 D230	R149-L232 HydrophobicContact CB-CD2 4.25Å; R149-L232 WeakPolarHBondContact O-CD2 3.29Å; N151-L232 HydrophobicContact CB-CB 4.22Å; H200-L232 HydrophobicContact CB-CD2 4.33Å; H200-L232 PolarHBondContact CD2-O 3Å; P222-L232 HydrophobicContact CB-CD1 4.07Å; P222-L232 HydrophobicContact CG-CD1 3.9Å; M228-L232 WeakPolarHBondContact O-CG 3.25Å; C229-L232 PolarHBondContact O-N 3.3Å; D230-L232 PolarHBondContact O-N 3.39Å; D230-L232 VanDerWaalsContact O-N 3.11Å
233	W	98.8	Very high	97.5	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-123.1	-13	-167.4	-76.7	95.3	0	0	0	115.8	N151 L157 C229 D230 R255 M483	N151-W233 HydrophobicContact CB-CD2 3.93Å; N151-W233 VanDerWaalsContact CB-CE2 3.49Å; N151-W233 HydrophobicContact CB-CG 4.3Å; N151-W233 HydrophobicContact CB-CH2 4.41Å; N151-W233 HydrophobicContact CB-CZ2 3.76Å; N151-W233 WeakPolarHBondContact ND2-CH2 3.47Å; L157-W233 HydrophobicContact CD1-CH2 4.03Å; L157-W233 HydrophobicContact CD1-CZ2 3.64Å; L157-W233 HydrophobicContact CD2-CH2 3.78Å; L157-W233 HydrophobicContact CD2-CZ2 3.74Å; L157-W233 HydrophobicContact CG-CH2 4.45Å; L157-W233 HydrophobicContact CG-CZ2 4.35Å; C229-W233 WeakPolarHBondContact O-CB 3.39Å; C229-W233 PolarHBondContact O-N 3.24Å; D230-W233 PolarHBondContact O-N 3.13Å; W233-R255 HydrophobicContact CE3-CB 4Å; W233-R255 HydrophobicContact CE3-CG 4.14Å; W233-R255 HydrophobicContact CZ3-CB 4.43Å; W233-M483 HydrophobicContact CD2-CE 4.17Å; W233-M483 HydrophobicContact CG-CE 4.44Å; W233-M483 HydrophobicContact CH2-CB 3.92Å; W233-M483 HydrophobicContact CH2-CG 4.46Å; W233-M483 HydrophobicContact CZ2-CB 4.25Å; W233-M483 HydrophobicContact CZ2-CE 3.92Å; W233-M483 HydrophobicContact CZ2-CG 4.36Å; W233-M483 HydrophobicContact CZ3-CB 4.18Å
234	S	98.8	Very high	97.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.208	C	C	.	.			trans	-73.6	148.4	-177.6	68.6	0	0	0	0	111.6	G201 G202 L203 D230 S258 Y259 Y261 R280	G201-S234 CarbonylContact C-O 3.19Å; G201-S234 WeakPolarHBondContact CA-O 3.28Å; G202-S234 WeakPolarHBondContact CA-OG 3.22Å; G202-S234 PolarHBondContact N-OG 2.9Å; L203-S234 PolarHBondContact N-OG 3Å; L203-S234 VanDerWaalsContact N-OG 3.08Å; L203-S234 VanDerWaalsContact O-CB 3.24Å; L203-S234 WeakPolarHBondContact O-CB 3.45Å; L203-S234 PolarHBondContact O-OG 3.2Å; D230-S234 VanDerWaalsContact O-CB 3.29Å; D230-S234 WeakPolarHBondContact O-CB 3.41Å; D230-S234 PolarHBondContact O-N 2.79Å; D230-S234 PolarHBondContact O-OG 3.48Å; S234-S258 WeakPolarHBondContact CA-OG 3.29Å; S234-S258 VanDerWaalsContact CB-OG 3.32Å; S234-S258 WeakPolarHBondContact CB-OG 3.45Å; S234-S258 PolarHBondContact N-OG 2.86Å; S234-Y259 VanDerWaalsContact CA-O 3.28Å; S234-Y259 WeakPolarHBondContact CA-O 3.17Å; S234-Y259 WeakPolarHBondContact CB-O 3.41Å; S234-Y261 WeakPolarHBondContact OG-CD1 3.23Å; S234-Y261 VanDerWaalsContact OG-CE1 3.28Å; S234-Y261 WeakPolarHBondContact OG-CE1 3.32Å; S234-R280 PolarHBondContact O-NH2 3.01Å
235	D	98.9	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.4	-179	-69.2	-51.4	0	0	0	110.6	N252 R255 Y259 F260 Y261 R280 H282 E283	D235-N252 PolarHBondContact OD2-ND2 3.12Å; D235-R255 IonicContact OD1-NE 3.01Å; D235-R255 IonicContact OD1-NH2 3.01Å; D235-R255 PolarHBondContact OD1-NH2 3.3Å; D235-R255 VanDerWaalsContact OD2-CG 3.28Å; D235-R255 WeakPolarHBondContact OD2-CG 3.36Å; D235-R255 IonicContact OD2-CZ 3.8Å; D235-R255 IonicContact OD2-NE 3.69Å; D235-R255 PolarHBondContact OD2-NE 3.15Å; D235-R255 IonicContact OD2-NH2 2.82Å; D235-Y259 PolarHBondContact N-O 3.12Å; D235-F260 HydrophobicContact CB-CD1 3.81Å; D235-F260 HydrophobicContact CB-CE1 3.84Å; D235-F260 CarbonylContact O-C 3.58Å; D235-F260 WeakPolarHBondContact O-CA 3.21Å; D235-Y261 VanDerWaalsContact C-CZ 3.49Å; D235-Y261 WeakPolarHBondContact O-CD1 3.39Å; D235-Y261 VanDerWaalsContact O-CE1 3.32Å; D235-Y261 WeakPolarHBondContact O-CE1 3.1Å; D235-Y261 PolarHBondContact O-N 3.35Å; D235-R280 IonicContact OD1-CZ 3.57Å; D235-R280 IonicContact OD1-NH1 3.32Å; D235-R280 IonicContact OD1-NH2 3.13Å; D235-R280 PolarHBondContact OD1-NH2 3.4Å; D235-H282 IonicContact OD1-CD2 2.97Å; D235-H282 PolarHBondContact OD1-CD2 2.76Å; D235-H282 IonicContact OD1-NE2 3.48Å; D235-E283 WeakPolarHBondContact OD1-CG 3.45Å
236	P	98.8	Very high	96.7	Very high	4 Å²	4	43 Å²	43	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	151.7	165	28.8	-31.7	0	0	0	110.6	F240 F260 Y261 E283 Y292 L303	P236-F240 HydrophobicContact CB-CB 4.11Å; P236-F240 HydrophobicContact CB-CD2 3.68Å; P236-F240 HydrophobicContact CB-CE2 4.3Å; P236-F240 HydrophobicContact CB-CG 4.06Å; P236-F260 WeakPolarHBondContact O-CD1 3.42Å; P236-Y261 WeakPolarHBondContact CA-O 3.38Å; P236-Y261 HydrophobicContact CB-CD2 4.41Å; P236-Y261 HydrophobicContact CB-CE2 3.85Å; P236-Y261 WeakPolarHBondContact CD-OH 3.31Å; P236-Y261 VanDerWaalsContact N-CZ 3.35Å; P236-E283 VanDerWaalsContact CD-OE2 3.29Å; P236-E283 WeakPolarHBondContact CD-OE2 3.42Å; P236-Y292 HydrophobicContact CB-CE1 3.93Å; P236-Y292 HydrophobicContact CG-CE1 3.66Å; P236-Y292 WeakPolarHBondContact CG-OH 3.42Å; P236-L303 HydrophobicContact CB-CD2 3.63Å; P236-L303 HydrophobicContact CG-CD2 3.83Å
237	L	98	Very high	96.6	Very high	30 Å²	30	48.3 Å²	48.3	16%	0.157	24%	0.239	C	C	.	.			trans	-54.5	148.9	168.2	-77.7	169.2	0	0	0	111.8	D239 F240 E243 F260 Y261	L237-D239 PolarHBondContact O-N 3.21Å; L237-F240 HydrophobicContact CB-CB 4.42Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 2.98Å; L237-E243 HydrophobicContact CD1-CG 3.61Å; L237-F260 HydrophobicContact CD2-CB 3.54Å; L237-F260 HydrophobicContact CD2-CD2 4.29Å; L237-F260 HydrophobicContact CD2-CG 4.01Å; L237-F260 HydrophobicContact CG-CB 3.95Å; L237-Y261 PolarHBondContact N-O 3.2Å
238	E	94.2	Very high	96.6	Very high	178 Å²	178	50.5 Å²	50.5	83%	0.832	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-40.5	177.3	-173.3	179.3	172.7	0	0	111.6	F240	E238-F240 VanDerWaalsContact C-N 3.35Å
239	D	95.8	Very high	96.5	Very high	70 Å²	70	52.7 Å²	52.7	37%	0.374	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	23.5	175.6	66.2	-22.8	0	0	0	113.5	L237 G241 N242 E243	L237-D239 PolarHBondContact O-N 3.21Å; D239-G241 PolarHBondContact O-N 3.41Å; D239-N242 CarbonylContact O-C 3.58Å; D239-N242 WeakPolarHBondContact O-CA 3.17Å; D239-N242 PolarHBondContact O-N 3.23Å; D239-E243 PolarHBondContact O-N 3.46Å
240	F	98.1	Very high	96.5	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.035	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	124.4	-178	-177.8	-81.1	0	0	0	113.1	P236 L237 E238 E243 Y261 S262 Y263 V266 Y292 L303	P236-F240 HydrophobicContact CB-CB 4.11Å; P236-F240 HydrophobicContact CB-CD2 3.68Å; P236-F240 HydrophobicContact CB-CE2 4.3Å; P236-F240 HydrophobicContact CB-CG 4.06Å; L237-F240 HydrophobicContact CB-CB 4.42Å; L237-F240 WeakPolarHBondContact O-CB 3.48Å; L237-F240 PolarHBondContact O-N 2.98Å; E238-F240 VanDerWaalsContact C-N 3.35Å; F240-E243 VanDerWaalsContact CA-OE1 3.3Å; F240-E243 WeakPolarHBondContact CA-OE1 3.26Å; F240-Y261 HydrophobicContact CE2-CD2 4.25Å; F240-Y261 HydrophobicContact CE2-CE2 4.46Å; F240-S262 VanDerWaalsContact CE2-C 3.42Å; F240-Y263 HydrophobicContact CD1-CD2 4.43Å; F240-Y263 AromaticContact CE1-CD2 3.69Å; F240-Y263 HydrophobicContact CE1-CD2 3.69Å; F240-Y263 HydrophobicContact CE1-CG 4.27Å; F240-Y263 VanDerWaalsContact CE2-CA 3.43Å; F240-Y263 VanDerWaalsContact CE2-N 3.29Å; F240-Y263 HydrophobicContact CZ-CD2 4.02Å; F240-Y263 HydrophobicContact CZ-CG 4.42Å; F240-V266 HydrophobicContact CE2-CB 4.29Å; F240-V266 HydrophobicContact CE2-CG2 3.67Å; F240-V266 HydrophobicContact CZ-CB 4.04Å; F240-V266 HydrophobicContact CZ-CG1 4.44Å; F240-V266 HydrophobicContact CZ-CG2 3.8Å; F240-Y292 HydrophobicContact CB-CD1 4.06Å; F240-Y292 HydrophobicContact CB-CE1 4.37Å; F240-Y292 AromaticContact CD1-CD1 3.56Å; F240-Y292 HydrophobicContact CD1-CD1 3.56Å; F240-Y292 HydrophobicContact CD1-CG 4.06Å; F240-Y292 HydrophobicContact CE1-CD1 4.18Å; F240-Y292 HydrophobicContact CE1-CG 4.25Å; F240-Y292 AromaticContact CG-CD1 3.96Å; F240-Y292 HydrophobicContact CG-CD1 3.96Å; F240-L303 HydrophobicContact CE1-CB 4.29Å; F240-L303 HydrophobicContact CE2-CD2 4.28Å; F240-L303 HydrophobicContact CZ-CB 4.11Å; F240-L303 HydrophobicContact CZ-CD2 4.2Å
241	G	96.8	Very high	96.5	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-5.9	-174.6	0	0	0	0	0	115.1	D239 E243 R293	D239-G241 PolarHBondContact O-N 3.41Å; G241-E243 WeakPolarHBondContact CA-OE2 3.36Å; G241-E243 PolarHBondContact N-OE1 2.84Å; G241-E243 PolarHBondContact N-OE2 3.41Å; G241-R293 VanDerWaalsContact CA-CD 3.49Å; G241-R293 WeakPolarHBondContact O-CD 3.22Å; G241-R293 PolarHBondContact O-NH1 2.96Å
242	N	96.4	Very high	96.4	Very high	134 Å²	134	59.9 Å²	59.9	72%	0.717	29%	0.293	S	S	*	.	S	Bend	trans	-129.6	26.1	175	-58.3	-63.4	0	0	0	111.6	D239	D239-N242 CarbonylContact O-C 3.58Å; D239-N242 WeakPolarHBondContact O-CA 3.17Å; D239-N242 PolarHBondContact O-N 3.23Å
243	E	94.3	Very high	96.2	Very high	25 Å²	25	63.7 Å²	63.7	12%	0.117	32%	0.316	C	S	.	.			trans	-63.2	143.5	-174.8	-55.8	87.4	163.5	0	0	112	L237 D239 F240 G241 S245 Y263	L237-E243 HydrophobicContact CD1-CG 3.61Å; D239-E243 PolarHBondContact O-N 3.46Å; F240-E243 VanDerWaalsContact CA-OE1 3.3Å; F240-E243 WeakPolarHBondContact CA-OE1 3.26Å; G241-E243 WeakPolarHBondContact CA-OE2 3.36Å; G241-E243 PolarHBondContact N-OE1 2.84Å; G241-E243 PolarHBondContact N-OE2 3.41Å; E243-S245 WeakPolarHBondContact CB-O 3.5Å; E243-Y263 VanDerWaalsContact OE1-CB 3.26Å; E243-Y263 WeakPolarHBondContact OE1-CB 3.46Å; E243-Y263 PolarHBondContact OE1-N 3.4Å
244	K	91.8	Very high	95.9	Very high	208 Å²	208	65.4 Å²	65.4	90%	0.904	33%	0.327	S	S	*	.	S	Bend	trans	-82	-29.3	173	-62.9	179	-176.1	173.1	0	113
245	S	91.4	Very high	95.7	Very high	59 Å²	59	65.7 Å²	65.7	41%	0.413	33%	0.328	S	S	.	.	S	Bend	trans	-102.4	151.9	177.7	-177.1	0	0	0	0	110.3	E243 E247	E243-S245 WeakPolarHBondContact CB-O 3.5Å; S245-E247 VanDerWaalsContact C-N 3.33Å; S245-E247 WeakPolarHBondContact OG-CG 3.17Å; S245-E247 PolarHBondContact OG-N 3.44Å; S245-E247 VanDerWaalsContact OG-N 3.16Å
246	Q	88.6	Confident	95.5	Very high	139 Å²	139	67.3 Å²	67.3	65%	0.65	34%	0.344	S	S	*	.			trans	-94.5	10	171.3	-65	-65.5	-45.9	0	0	112.1	H248 P264	Q246-H248 PolarHBondContact O-CD2 3.04Å; Q246-H248 PolarHBondContact O-N 2.94Å; Q246-P264 VanDerWaalsContact OE1-CG 3.28Å
247	E	95.2	Very high	95.4	Very high	121 Å²	121	67.7 Å²	67.7	57%	0.565	35%	0.347	S	S	*	.			trans	-59	131.9	173.7	-77.3	176.6	-175.1	0	0	110.7	S245 T250 S262	S245-E247 VanDerWaalsContact C-N 3.33Å; S245-E247 WeakPolarHBondContact OG-CG 3.17Å; S245-E247 PolarHBondContact OG-N 3.44Å; S245-E247 VanDerWaalsContact OG-N 3.16Å; E247-T250 HydrophobicContact CB-CG2 4.39Å; E247-T250 WeakPolarHBondContact OE2-CG2 3.48Å; E247-S262 WeakPolarHBondContact O-CB 3.36Å; E247-S262 PolarHBondContact O-OG 2.93Å
248	H	98	Very high	95.4	Very high	71 Å²	71	66.7 Å²	66.7	33%	0.329	34%	0.343	S	S	.	.	S	Bend	trans	-74.1	-42.1	-177.6	-76.7	-170.5	0	0	0	112.5	Q246 Y261 S262 A265 D268	Q246-H248 PolarHBondContact O-CD2 3.04Å; Q246-H248 PolarHBondContact O-N 2.94Å; H248-Y261 WeakPolarHBondContact O-CA 3.38Å; H248-S262 WeakPolarHBondContact CA-OG 3.46Å; H248-S262 PolarHBondContact O-N 2.92Å; H248-S262 PolarHBondContact O-OG 3.31Å; H248-A265 HydrophobicContact CB-CB 3.67Å; H248-A265 WeakPolarHBondContact O-CB 3.11Å; H248-D268 IonicContact CE1-OD2 2.88Å; H248-D268 PolarHBondContact CE1-OD2 3.21Å; H248-D268 IonicContact NE2-OD2 3.76Å
249	F	98.4	Very high	95.6	Very high	51 Å²	51	62.2 Å²	62.2	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.9	-174	-60.7	-85.8	0	0	0	110.3	L203 P205 Y259 F260 A265	L203-F249 HydrophobicContact CB-CE1 3.94Å; L203-F249 HydrophobicContact CB-CZ 4.17Å; P205-F249 HydrophobicContact CB-CD2 3.85Å; P205-F249 HydrophobicContact CB-CE2 4.09Å; P205-F249 HydrophobicContact CB-CG 4.14Å; F249-Y259 HydrophobicContact CB-CD1 4.11Å; F249-Y259 HydrophobicContact CB-CG 4.27Å; F249-F260 VanDerWaalsContact CA-O 3.27Å; F249-F260 WeakPolarHBondContact CA-O 3.36Å; F249-A265 HydrophobicContact CE2-CB 4.31Å; F249-A265 HydrophobicContact CZ-CB 4.25Å
250	T	97.9	Very high	95.8	Very high	44 Å²	44	60.1 Å²	60.1	27%	0.27	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155	172	57.7	0	0	0	0	109.1	E247 N252 Y259 F260	E247-T250 HydrophobicContact CB-CG2 4.39Å; E247-T250 WeakPolarHBondContact OE2-CG2 3.48Å; T250-N252 PolarHBondContact O-N 2.97Å; T250-Y259 CarbonylContact O-C 3.58Å; T250-Y259 WeakPolarHBondContact O-CA 3.46Å; T250-Y259 WeakPolarHBondContact O-CB 3.4Å; T250-F260 PolarHBondContact N-O 3.34Å; T250-F260 PolarHBondContact O-N 3.28Å
251	H	97.8	Very high	95.8	Very high	110 Å²	110	59.7 Å²	59.7	51%	0.509	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	131.2	-177.5	175.8	-84.4	0	0	0	111.5	T253	H251-T253 PolarHBondContact O-N 2.95Å
252	N	97.9	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.305	C	S	.	.			trans	-77.3	96.8	179.8	-170	-28.1	0	0	0	110.8	D235 T250 V254 R255 G256 C257 S258 F260	D235-N252 PolarHBondContact OD2-ND2 3.12Å; T250-N252 PolarHBondContact O-N 2.97Å; N252-V254 VanDerWaalsContact C-N 3.27Å; N252-V254 PolarHBondContact O-N 3.33Å; N252-V254 WeakPolarHBondContact OD1-CA 3.45Å; N252-V254 WeakPolarHBondContact OD1-CB 3.29Å; N252-V254 PolarHBondContact OD1-N 3Å; N252-R255 HydrophobicContact CB-CB 4.38Å; N252-R255 WeakPolarHBondContact ND2-CG 3.46Å; N252-R255 PolarHBondContact OD1-N 3.49Å; N252-G256 WeakPolarHBondContact O-CA 3.32Å; N252-G256 PolarHBondContact O-N 3.24Å; N252-C257 WeakPolarHBondContact CB-O 3.49Å; N252-S258 PolarHBondContact N-O 3.12Å; N252-F260 HydrophobicContact CB-CD2 4.29Å; N252-F260 HydrophobicContact CB-CE2 4.37Å; N252-F260 HydrophobicContact CB-CG 4.36Å; N252-F260 WeakPolarHBondContact OD1-CE1 3.48Å; N252-F260 WeakPolarHBondContact OD1-CZ 3.48Å
253	T	95.1	Very high	96	Very high	80 Å²	80	54.1 Å²	54.1	49%	0.491	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.6	-179.9	57.3	0	0	0	0	113.3	H251 R482	H251-T253 PolarHBondContact O-N 2.95Å; T253-R482 PolarHBondContact O-NH1 3.34Å
254	V	91.6	Very high	96.2	Very high	41 Å²	41	53.7 Å²	53.7	25%	0.248	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-44	175.6	171.1	0	0	0	0	110.3	N252 F260 R482	N252-V254 VanDerWaalsContact C-N 3.27Å; N252-V254 PolarHBondContact O-N 3.33Å; N252-V254 WeakPolarHBondContact OD1-CA 3.45Å; N252-V254 WeakPolarHBondContact OD1-CB 3.29Å; N252-V254 PolarHBondContact OD1-N 3Å; V254-F260 HydrophobicContact CB-CZ 3.98Å; V254-F260 HydrophobicContact CG2-CZ 3.77Å; V254-R482 WeakPolarHBondContact O-CG 3.3Å
255	R	94.9	Very high	96.5	Very high	6 Å²	6	44 Å²	44	2%	0.023	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-26.8	179.4	-56.3	-57.2	-179.9	171.2	6.7	113.4	W233 D235 N252 C257 H282 E481 R482 M483	W233-R255 HydrophobicContact CE3-CB 4Å; W233-R255 HydrophobicContact CE3-CG 4.14Å; W233-R255 HydrophobicContact CZ3-CB 4.43Å; D235-R255 IonicContact OD1-NE 3.01Å; D235-R255 IonicContact OD1-NH2 3.01Å; D235-R255 PolarHBondContact OD1-NH2 3.3Å; D235-R255 VanDerWaalsContact OD2-CG 3.28Å; D235-R255 WeakPolarHBondContact OD2-CG 3.36Å; D235-R255 IonicContact OD2-CZ 3.8Å; D235-R255 IonicContact OD2-NE 3.69Å; D235-R255 PolarHBondContact OD2-NE 3.15Å; D235-R255 IonicContact OD2-NH2 2.82Å; N252-R255 HydrophobicContact CB-CB 4.38Å; N252-R255 WeakPolarHBondContact ND2-CG 3.46Å; N252-R255 PolarHBondContact OD1-N 3.49Å; R255-C257 PolarHBondContact O-N 3.39Å; R255-H282 PolarHBondContact NE-NE2 2.88Å; R255-H282 VanDerWaalsContact NE-NE2 3.16Å; R255-H282 PolarHBondContact NH2-CD2 3.25Å; R255-H282 PolarHBondContact NH2-CE1 2.93Å; R255-H282 PolarHBondContact NH2-NE2 3.49Å; R255-H282 PolarHBondContact NH2-O 3.46Å; R255-E481 WeakPolarHBondContact CD-O 3.3Å; R255-E481 IonicContact CZ-OE2 3.25Å; R255-E481 PolarHBondContact NH1-O 3.02Å; R255-E481 IonicContact NH1-OE2 3.87Å; R255-E481 PolarHBondContact NH1-OE2 3.49Å; R255-E481 IonicContact NH2-OE2 3.33Å; R255-R482 WeakPolarHBondContact O-CA 3.34Å; R255-M483 PolarHBondContact O-N 2.88Å
256	G	94.4	Very high	96.9	Very high	34 Å²	34	41.1 Å²	41.1	35%	0.351	21%	0.212	S	C	.	.	S	Bend	trans	75.3	10	-175.9	0	0	0	0	0	114.3	N252	N252-G256 WeakPolarHBondContact O-CA 3.32Å; N252-G256 PolarHBondContact O-N 3.24Å
257	C	96.8	Very high	97.3	Very high	13 Å²	13	35.1 Å²	35.1	9%	0.088	19%	0.185	C	C	.	.	S	Bend	trans	-153.9	171.8	174.3	66.4	0	0	0	0	107.9	N252 R255 M483	N252-C257 WeakPolarHBondContact CB-O 3.49Å; R255-C257 PolarHBondContact O-N 3.39Å; C257-M483 HydrophobicContact CB-CB 4.41Å; C257-M483 HydrophobicContact CB-CE 3.91Å; C257-M483 HydrophobicContact CB-SD 3.93Å; C257-M483 WeakPolarHBondContact SG-CE 3.48Å
258	S	98.4	Very high	97.5	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.063	18%	0.179	C	C	.	.	S	Bend	trans	57.9	-161.4	178.8	-173.6	0	0	0	0	112.8	D230 S234 N252	D230-S258 WeakPolarHBondContact CA-OG 3.43Å; D230-S258 PolarHBondContact OD1-OG 3.43Å; S234-S258 WeakPolarHBondContact CA-OG 3.29Å; S234-S258 VanDerWaalsContact CB-OG 3.32Å; S234-S258 WeakPolarHBondContact CB-OG 3.45Å; S234-S258 PolarHBondContact N-OG 2.86Å; N252-S258 PolarHBondContact N-O 3.12Å
259	Y	98.7	Very high	97.5	Very high	83 Å²	83	30.5 Å²	30.5	33%	0.325	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150	-170.2	-58.7	-86.5	0	0	0	112.4	P205 S234 D235 F249 T250	P205-Y259 HydrophobicContact CG-CD2 3.86Å; P205-Y259 HydrophobicContact CG-CE2 3.59Å; P205-Y259 HydrophobicContact CG-CG 4.46Å; S234-Y259 VanDerWaalsContact CA-O 3.28Å; S234-Y259 WeakPolarHBondContact CA-O 3.17Å; S234-Y259 WeakPolarHBondContact CB-O 3.41Å; D235-Y259 PolarHBondContact N-O 3.12Å; F249-Y259 HydrophobicContact CB-CD1 4.11Å; F249-Y259 HydrophobicContact CB-CG 4.27Å; T250-Y259 CarbonylContact O-C 3.58Å; T250-Y259 WeakPolarHBondContact O-CA 3.46Å; T250-Y259 WeakPolarHBondContact O-CB 3.4Å
260	F	98.8	Very high	97.5	Very high	26 Å²	26	28.4 Å²	28.4	11%	0.114	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	134.7	152.9	-71.1	-59.6	0	0	0	109.2	D235 P236 L237 F249 T250 N252 V254	D235-F260 HydrophobicContact CB-CD1 3.81Å; D235-F260 HydrophobicContact CB-CE1 3.84Å; D235-F260 CarbonylContact O-C 3.58Å; D235-F260 WeakPolarHBondContact O-CA 3.21Å; P236-F260 WeakPolarHBondContact O-CD1 3.42Å; L237-F260 HydrophobicContact CD2-CB 3.54Å; L237-F260 HydrophobicContact CD2-CD2 4.29Å; L237-F260 HydrophobicContact CD2-CG 4.01Å; L237-F260 HydrophobicContact CG-CB 3.95Å; F249-F260 VanDerWaalsContact CA-O 3.27Å; F249-F260 WeakPolarHBondContact CA-O 3.36Å; T250-F260 PolarHBondContact N-O 3.34Å; T250-F260 PolarHBondContact O-N 3.28Å; N252-F260 HydrophobicContact CB-CD2 4.29Å; N252-F260 HydrophobicContact CB-CE2 4.37Å; N252-F260 HydrophobicContact CB-CG 4.36Å; N252-F260 WeakPolarHBondContact OD1-CE1 3.48Å; N252-F260 WeakPolarHBondContact OD1-CZ 3.48Å; V254-F260 HydrophobicContact CB-CZ 3.98Å; V254-F260 HydrophobicContact CG2-CZ 3.77Å
261	Y	98.8	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.5	172.3	52.7	-96.9	0	0	0	111.8	G201 L203 S234 D235 P236 L237 F240 H248 V266 L303	G201-Y261 PolarHBondContact O-OH 3.37Å; L203-Y261 HydrophobicContact CB-CD1 4.23Å; L203-Y261 HydrophobicContact CB-CG 4.24Å; S234-Y261 WeakPolarHBondContact OG-CD1 3.23Å; S234-Y261 VanDerWaalsContact OG-CE1 3.28Å; S234-Y261 WeakPolarHBondContact OG-CE1 3.32Å; D235-Y261 VanDerWaalsContact C-CZ 3.49Å; D235-Y261 WeakPolarHBondContact O-CD1 3.39Å; D235-Y261 VanDerWaalsContact O-CE1 3.32Å; D235-Y261 WeakPolarHBondContact O-CE1 3.1Å; D235-Y261 PolarHBondContact O-N 3.35Å; P236-Y261 WeakPolarHBondContact CA-O 3.38Å; P236-Y261 HydrophobicContact CB-CD2 4.41Å; P236-Y261 HydrophobicContact CB-CE2 3.85Å; P236-Y261 WeakPolarHBondContact CD-OH 3.31Å; P236-Y261 VanDerWaalsContact N-CZ 3.35Å; L237-Y261 PolarHBondContact N-O 3.2Å; F240-Y261 HydrophobicContact CE2-CD2 4.25Å; F240-Y261 HydrophobicContact CE2-CE2 4.46Å; H248-Y261 WeakPolarHBondContact O-CA 3.38Å; Y261-V266 HydrophobicContact CD2-CG2 3.67Å; Y261-V266 HydrophobicContact CE2-CG2 4.02Å; Y261-L303 HydrophobicContact CE2-CD1 4.45Å; Y261-L303 HydrophobicContact CE2-CD2 3.89Å
262	S	98.7	Very high	97.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	18%	0.177	C	C	.	.			trans	-94.3	166.4	-177.1	67.6	0	0	0	0	113.1	F240 E247 H248 P264 A265 V266	F240-S262 VanDerWaalsContact CE2-C 3.42Å; E247-S262 WeakPolarHBondContact O-CB 3.36Å; E247-S262 PolarHBondContact O-OG 2.93Å; H248-S262 WeakPolarHBondContact CA-OG 3.46Å; H248-S262 PolarHBondContact O-N 2.92Å; H248-S262 PolarHBondContact O-OG 3.31Å; S262-P264 WeakPolarHBondContact OG-CD 3.35Å; S262-A265 WeakPolarHBondContact O-CB 3.39Å; S262-A265 PolarHBondContact O-N 2.78Å; S262-A265 VanDerWaalsContact O-N 3.16Å; S262-V266 PolarHBondContact O-N 2.79Å; S262-V266 VanDerWaalsContact O-N 3.09Å
263	Y	98.6	Very high	97.5	Very high	15 Å²	15	34.5 Å²	34.5	6%	0.059	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-41.6	174.6	170.9	-93.7	0	0	0	113.3	F240 E243 V266 C267 R293 K294 S295 Q296 S302	F240-Y263 HydrophobicContact CD1-CD2 4.43Å; F240-Y263 AromaticContact CE1-CD2 3.69Å; F240-Y263 HydrophobicContact CE1-CD2 3.69Å; F240-Y263 HydrophobicContact CE1-CG 4.27Å; F240-Y263 VanDerWaalsContact CE2-CA 3.43Å; F240-Y263 VanDerWaalsContact CE2-N 3.29Å; F240-Y263 HydrophobicContact CZ-CD2 4.02Å; F240-Y263 HydrophobicContact CZ-CG 4.42Å; E243-Y263 VanDerWaalsContact OE1-CB 3.26Å; E243-Y263 WeakPolarHBondContact OE1-CB 3.46Å; E243-Y263 PolarHBondContact OE1-N 3.4Å; Y263-V266 PolarHBondContact O-N 2.89Å; Y263-C267 VanDerWaalsContact CE1-SG 3.53Å; Y263-C267 VanDerWaalsContact CE2-SG 3.55Å; Y263-C267 PolarHBondContact O-N 3.32Å; Y263-C267 PolarHBondContact O-SG 2.97Å; Y263-C267 PolarHBondContact OH-SG 2.95Å; Y263-R293 HydrophobicContact CD2-CB 3.83Å; Y263-R293 HydrophobicContact CD2-CG 4.04Å; Y263-R293 HydrophobicContact CE2-CB 3.84Å; Y263-R293 HydrophobicContact CE2-CG 3.65Å; Y263-K294 PolarHBondContact OH-O 2.86Å; Y263-S295 WeakPolarHBondContact OH-CA 3.18Å; Y263-Q296 PolarHBondContact OH-N 2.67Å; Y263-S302 WeakPolarHBondContact CD2-OG 3.49Å
264	P	98.3	Very high	97.7	Very high	16 Å²	16	37.5 Å²	37.5	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-55.7	-46.8	169.2	-27.6	35.5	0	0	0	113.2	Q246 S262 V266 C267 D268	Q246-P264 VanDerWaalsContact OE1-CG 3.28Å; S262-P264 WeakPolarHBondContact OG-CD 3.35Å; P264-V266 VanDerWaalsContact C-N 3.3Å; P264-V266 PolarHBondContact O-N 2.72Å; P264-C267 PolarHBondContact O-N 3.46Å; P264-C267 VanDerWaalsContact O-N 3.13Å; P264-D268 PolarHBondContact O-N 3.42Å
265	A	98.5	Very high	98	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-43.2	179	0	0	0	0	0	112.1	H248 F249 S262 F269	H248-A265 HydrophobicContact CB-CB 3.67Å; H248-A265 WeakPolarHBondContact O-CB 3.11Å; F249-A265 HydrophobicContact CE2-CB 4.31Å; F249-A265 HydrophobicContact CZ-CB 4.25Å; S262-A265 WeakPolarHBondContact O-CB 3.39Å; S262-A265 PolarHBondContact O-N 2.78Å; S262-A265 VanDerWaalsContact O-N 3.16Å; A265-F269 WeakPolarHBondContact O-CB 3.32Å; A265-F269 PolarHBondContact O-N 3.44Å; A265-F269 VanDerWaalsContact O-N 3.09Å
266	V	98.7	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-46.3	175.9	173.6	0	0	0	0	111.2	L203 F240 Y261 S262 Y263 P264 D268 F269 L270 I278	L203-V266 HydrophobicContact CD1-CB 4.42Å; L203-V266 HydrophobicContact CD1-CG2 3.83Å; F240-V266 HydrophobicContact CE2-CB 4.29Å; F240-V266 HydrophobicContact CE2-CG2 3.67Å; F240-V266 HydrophobicContact CZ-CB 4.04Å; F240-V266 HydrophobicContact CZ-CG1 4.44Å; F240-V266 HydrophobicContact CZ-CG2 3.8Å; Y261-V266 HydrophobicContact CD2-CG2 3.67Å; Y261-V266 HydrophobicContact CE2-CG2 4.02Å; S262-V266 PolarHBondContact O-N 2.79Å; S262-V266 VanDerWaalsContact O-N 3.09Å; Y263-V266 PolarHBondContact O-N 2.89Å; P264-V266 VanDerWaalsContact C-N 3.3Å; P264-V266 PolarHBondContact O-N 2.72Å; V266-D268 VanDerWaalsContact C-N 3.33Å; V266-D268 PolarHBondContact O-N 2.77Å; V266-F269 PolarHBondContact O-N 2.81Å; V266-L270 HydrophobicContact CG1-CD1 3.76Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 WeakPolarHBondContact O-CB 3.4Å; V266-L270 WeakPolarHBondContact O-CG 3.29Å; V266-L270 PolarHBondContact O-N 3.11Å; V266-I278 HydrophobicContact CG1-CD1 3.99Å; V266-I278 HydrophobicContact CG1-CG1 4.42Å; V266-I278 HydrophobicContact CG2-CD1 4.32Å
267	C	98.3	Very high	98.4	Very high	13 Å²	13	36.2 Å²	36.2	9%	0.088	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-43.3	179.8	-70.1	0	0	0	0	112.3	Y263 P264 L270 Q271	Y263-C267 VanDerWaalsContact CE1-SG 3.53Å; Y263-C267 VanDerWaalsContact CE2-SG 3.55Å; Y263-C267 PolarHBondContact O-N 3.32Å; Y263-C267 PolarHBondContact O-SG 2.97Å; Y263-C267 PolarHBondContact OH-SG 2.95Å; P264-C267 PolarHBondContact O-N 3.46Å; P264-C267 VanDerWaalsContact O-N 3.13Å; C267-L270 PolarHBondContact O-N 2.91Å; C267-Q271 WeakPolarHBondContact O-CB 3.41Å; C267-Q271 VanDerWaalsContact O-CG 3.3Å; C267-Q271 WeakPolarHBondContact O-CG 3.38Å; C267-Q271 PolarHBondContact O-N 2.95Å
268	D	98.1	Very high	98.5	Very high	81 Å²	81	35.6 Å²	35.6	43%	0.433	18%	0.176	S	C	.	.	H	α-helix	trans	-63.9	-46	178.6	-80	10.5	0	0	0	111.1	H248 P264 V266 L270 Q271 H272	H248-D268 IonicContact CE1-OD2 2.88Å; H248-D268 PolarHBondContact CE1-OD2 3.21Å; H248-D268 IonicContact NE2-OD2 3.76Å; P264-D268 PolarHBondContact O-N 3.42Å; V266-D268 VanDerWaalsContact C-N 3.33Å; V266-D268 PolarHBondContact O-N 2.77Å; D268-L270 PolarHBondContact O-N 2.74Å; D268-Q271 PolarHBondContact O-N 2.87Å; D268-H272 VanDerWaalsContact O-CB 3.27Å; D268-H272 WeakPolarHBondContact O-CB 3.36Å; D268-H272 PolarHBondContact O-N 2.93Å
269	F	98.7	Very high	98.5	Very high	14 Å²	14	35.2 Å²	35.2	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-45.7	176.4	-176	-88.8	0	0	0	112	L197 L203 I207 L210 A265 V266 H272 N273 L275 I278	L197-F269 HydrophobicContact CD2-CE1 3.52Å; L197-F269 HydrophobicContact CD2-CZ 3.79Å; L203-F269 HydrophobicContact CD1-CB 3.96Å; L203-F269 HydrophobicContact CD1-CG 4.27Å; L203-F269 HydrophobicContact CD2-CB 4.43Å; L203-F269 HydrophobicContact CD2-CD1 3.9Å; L203-F269 HydrophobicContact CD2-CD2 4.01Å; L203-F269 HydrophobicContact CD2-CE1 4.15Å; L203-F269 HydrophobicContact CD2-CE2 4.24Å; L203-F269 HydrophobicContact CD2-CG 3.83Å; L203-F269 HydrophobicContact CD2-CZ 4.31Å; I207-F269 HydrophobicContact CG2-CE2 4.18Å; L210-F269 HydrophobicContact CD2-CZ 4.36Å; A265-F269 WeakPolarHBondContact O-CB 3.32Å; A265-F269 PolarHBondContact O-N 3.44Å; A265-F269 VanDerWaalsContact O-N 3.09Å; V266-F269 PolarHBondContact O-N 2.81Å; F269-H272 PolarHBondContact O-N 3.42Å; F269-N273 HydrophobicContact CE1-CB 4.43Å; F269-N273 WeakPolarHBondContact CE2-ND2 3.47Å; F269-N273 WeakPolarHBondContact O-CB 3.34Å; F269-N273 PolarHBondContact O-N 2.81Å; F269-N273 PolarHBondContact O-ND2 3.11Å; F269-L275 HydrophobicContact CD1-CD1 4.5Å; F269-L275 HydrophobicContact CE1-CD1 3.89Å; F269-I278 HydrophobicContact CD1-CD1 4.38Å
270	L	98.7	Very high	98.6	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-44.7	179.2	-72.1	176.9	0	0	0	111.7	V266 C267 D268 N274 L275 I278	V266-L270 HydrophobicContact CG1-CD1 3.76Å; V266-L270 HydrophobicContact CG1-CG 4.11Å; V266-L270 WeakPolarHBondContact O-CB 3.4Å; V266-L270 WeakPolarHBondContact O-CG 3.29Å; V266-L270 PolarHBondContact O-N 3.11Å; C267-L270 PolarHBondContact O-N 2.91Å; D268-L270 PolarHBondContact O-N 2.74Å; L270-N274 WeakPolarHBondContact O-CA 3.45Å; L270-N274 PolarHBondContact O-N 2.83Å; L270-L275 HydrophobicContact CD2-CB 3.56Å; L270-L275 PolarHBondContact O-N 2.94Å; L270-I278 HydrophobicContact CD2-CG1 3.97Å
271	Q	97.9	Very high	98.6	Very high	123 Å²	123	30 Å²	30	58%	0.575	15%	0.152	S	C	*	.	H	α-helix	trans	-65.9	-45.7	177.8	-72.1	177.9	21.1	0	0	111.7	C267 D268 N273 N274	C267-Q271 WeakPolarHBondContact O-CB 3.41Å; C267-Q271 VanDerWaalsContact O-CG 3.3Å; C267-Q271 WeakPolarHBondContact O-CG 3.38Å; C267-Q271 PolarHBondContact O-N 2.95Å; D268-Q271 PolarHBondContact O-N 2.87Å; Q271-N273 VanDerWaalsContact C-N 3.26Å; Q271-N273 PolarHBondContact O-N 3.16Å; Q271-N274 PolarHBondContact O-N 3.14Å
272	H	98.1	Very high	98.5	Very high	133 Å²	133	30.1 Å²	30.1	62%	0.616	15%	0.153	S	C	*	.	H	α-helix	trans	-61.4	-35.5	-179.5	-170.9	74.4	0	0	0	112.5	T208 D268 F269	T208-H272 PolarHBondContact O-CD2 3.02Å; D268-H272 VanDerWaalsContact O-CB 3.27Å; D268-H272 WeakPolarHBondContact O-CB 3.36Å; D268-H272 PolarHBondContact O-N 2.93Å; F269-H272 PolarHBondContact O-N 3.42Å
273	N	98.5	Very high	98.5	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.139	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	4.4	-177.3	-68.4	-83.8	0	0	0	113.9	T208 N209 L210 F269 Q271 L275	T208-N273 PolarHBondContact O-ND2 3.18Å; N209-N273 WeakPolarHBondContact CA-OD1 3.22Å; N209-N273 WeakPolarHBondContact CB-OD1 3.48Å; L210-N273 HydrophobicContact CG-CB 4.41Å; L210-N273 PolarHBondContact N-OD1 3.36Å; F269-N273 HydrophobicContact CE1-CB 4.43Å; F269-N273 WeakPolarHBondContact CE2-ND2 3.47Å; F269-N273 WeakPolarHBondContact O-CB 3.34Å; F269-N273 PolarHBondContact O-N 2.81Å; F269-N273 PolarHBondContact O-ND2 3.11Å; Q271-N273 VanDerWaalsContact C-N 3.26Å; Q271-N273 PolarHBondContact O-N 3.16Å; N273-L275 VanDerWaalsContact C-N 3.33Å; N273-L275 HydrophobicContact CB-CD1 3.88Å; N273-L275 HydrophobicContact CB-CG 3.93Å; N273-L275 PolarHBondContact O-N 3.39Å
274	N	98.3	Very high	98.5	Very high	143 Å²	143	31.1 Å²	31.1	77%	0.765	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	47.9	-176.3	-171.2	48.3	0	0	0	113.1	L270 Q271	L270-N274 WeakPolarHBondContact O-CA 3.45Å; L270-N274 PolarHBondContact O-N 2.83Å; Q271-N274 PolarHBondContact O-N 3.14Å
275	L	98.7	Very high	98.5	Very high	18 Å²	18	31.2 Å²	31.2	9%	0.094	16%	0.159	C	C	.	.			trans	-108.9	155.5	179.4	-63	174.8	0	0	0	111.3	L191 L197 L210 F269 L270 N273	L191-L275 HydrophobicContact CD1-CD2 3.51Å; L197-L275 HydrophobicContact CB-CD1 3.85Å; L210-L275 HydrophobicContact CD2-CD1 4.3Å; F269-L275 HydrophobicContact CD1-CD1 4.5Å; F269-L275 HydrophobicContact CE1-CD1 3.89Å; L270-L275 HydrophobicContact CD2-CB 3.56Å; L270-L275 PolarHBondContact O-N 2.94Å; N273-L275 VanDerWaalsContact C-N 3.33Å; N273-L275 HydrophobicContact CB-CD1 3.88Å; N273-L275 HydrophobicContact CB-CG 3.93Å; N273-L275 PolarHBondContact O-N 3.39Å
276	L	98.4	Very high	98.5	Very high	37 Å²	37	35.2 Å²	35.2	19%	0.194	18%	0.179	C	C	.	.	S	Bend	trans	-87	-41.7	179.5	-177.8	59.2	0	0	0	112.6	Q195 F196 T298 F300	Q195-L276 HydrophobicContact CB-CB 4.24Å; Q195-L276 WeakPolarHBondContact O-CB 3.5Å; Q195-L276 PolarHBondContact O-N 2.96Å; F196-L276 HydrophobicContact CE1-CB 4.37Å; F196-L276 HydrophobicContact CE1-CD2 3.95Å; F196-L276 HydrophobicContact CE1-CG 4.27Å; F196-L276 HydrophobicContact CZ-CD2 3.78Å; L276-T298 HydrophobicContact CD1-CG2 3.83Å; L276-F300 HydrophobicContact CD1-CB 3.68Å; L276-F300 HydrophobicContact CD1-CD1 4.21Å; L276-F300 HydrophobicContact CD1-CG 3.99Å; L276-F300 HydrophobicContact CD2-CD1 4.1Å; L276-F300 HydrophobicContact CD2-CD2 4.37Å; L276-F300 HydrophobicContact CD2-CE1 4.4Å; L276-F300 HydrophobicContact CD2-CG 4.1Å; L276-F300 HydrophobicContact CG-CB 4.2Å; L276-F300 HydrophobicContact CG-CD1 3.76Å; L276-F300 HydrophobicContact CG-CE1 4.39Å; L276-F300 HydrophobicContact CG-CG 3.96Å
277	S	98.8	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	163.2	-174.5	-170.9	0	0	0	0	111.8	F196 L197 P301 S302	F196-S277 WeakPolarHBondContact CA-O 3.48Å; L197-S277 PolarHBondContact N-O 3.19Å; S277-P301 WeakPolarHBondContact CB-O 3.36Å; S277-P301 PolarHBondContact OG-O 3.39Å; S277-S302 WeakPolarHBondContact CA-O 3.28Å; S277-S302 PolarHBondContact OG-O 3.21Å
278	I	98.9	Very high	98.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.9	168.1	-57.8	178.6	0	0	0	108.5	L197 V199 L203 V266 F269 L270 S302 L303 I304	L197-I278 CarbonylContact O-C 3.57Å; L197-I278 WeakPolarHBondContact O-CA 3.3Å; V199-I278 HydrophobicContact CG2-CG2 4.2Å; L203-I278 HydrophobicContact CD1-CD1 3.86Å; L203-I278 HydrophobicContact CD2-CD1 3.59Å; L203-I278 HydrophobicContact CG-CD1 3.73Å; V266-I278 HydrophobicContact CG1-CD1 3.99Å; V266-I278 HydrophobicContact CG1-CG1 4.42Å; V266-I278 HydrophobicContact CG2-CD1 4.32Å; F269-I278 HydrophobicContact CD1-CD1 4.38Å; L270-I278 HydrophobicContact CD2-CG1 3.97Å; I278-S302 PolarHBondContact N-O 2.85Å; I278-L303 HydrophobicContact CB-CD1 3.76Å; I278-L303 HydrophobicContact CG2-CD1 3.8Å; I278-L303 CarbonylContact O-C 3.47Å; I278-L303 WeakPolarHBondContact O-CA 3.44Å; I278-I304 PolarHBondContact O-N 2.91Å
279	I	98.9	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.6	173.3	-55.4	172.8	0	0	0	107.9	V88 L117 M192 F196 L197 C198 V199 I304 I306 L323 M330	V88-I279 HydrophobicContact CG1-CG2 4.15Å; L117-I279 HydrophobicContact CD1-CG2 4.26Å; M192-I279 HydrophobicContact CE-CD1 3.9Å; F196-I279 HydrophobicContact CB-CD1 3.91Å; F196-I279 HydrophobicContact CB-CG1 4.31Å; F196-I279 HydrophobicContact CD1-CD1 3.79Å; F196-I279 HydrophobicContact CD1-CG1 4.1Å; F196-I279 HydrophobicContact CE1-CD1 4.48Å; F196-I279 HydrophobicContact CG-CD1 3.86Å; F196-I279 HydrophobicContact CG-CG1 4.47Å; L197-I279 PolarHBondContact O-N 2.87Å; C198-I279 VanDerWaalsContact CA-O 3.26Å; C198-I279 WeakPolarHBondContact CA-O 3.35Å; V199-I279 PolarHBondContact N-O 3.12Å; V199-I279 VanDerWaalsContact N-O 3.14Å; I279-I304 WeakPolarHBondContact CA-O 3.37Å; I279-I306 HydrophobicContact CG2-CG2 4.42Å; I279-L323 HydrophobicContact CD1-CD1 3.94Å; I279-L323 HydrophobicContact CG1-CD1 4.48Å; I279-L323 HydrophobicContact CG2-CD1 4.23Å; I279-M330 HydrophobicContact CD1-CE 4.17Å
280	R	98.9	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	174.9	-176.2	69.2	77.8	57.1	148.9	27	113.5	V199 H200 G201 S234 D235 H282 E283 L303 I304 T305 I306	V199-R280 HydrophobicContact CG2-CB 4.22Å; V199-R280 WeakPolarHBondContact O-CA 3.43Å; H200-R280 PolarHBondContact O-NE 2.94Å; G201-R280 WeakPolarHBondContact O-CB 3.34Å; G201-R280 WeakPolarHBondContact O-CG 3.4Å; G201-R280 PolarHBondContact O-NE 2.82Å; G201-R280 PolarHBondContact O-NH2 2.82Å; G201-R280 VanDerWaalsContact O-NH2 3.11Å; S234-R280 PolarHBondContact O-NH2 3.01Å; D235-R280 IonicContact OD1-CZ 3.57Å; D235-R280 IonicContact OD1-NH1 3.32Å; D235-R280 IonicContact OD1-NH2 3.13Å; D235-R280 PolarHBondContact OD1-NH2 3.4Å; R280-H282 PolarHBondContact NH2-CD2 2.86Å; R280-H282 VanDerWaalsContact NH2-CD2 3.27Å; R280-E283 VanDerWaalsContact NH1-CG 3.33Å; R280-E283 IonicContact NH1-OE2 3.83Å; R280-E283 PolarHBondContact NH1-OE2 3.26Å; R280-L303 HydrophobicContact CG-CD1 3.76Å; R280-I304 PolarHBondContact N-O 3.26Å; R280-T305 VanDerWaalsContact CD-OG1 3.22Å; R280-T305 WeakPolarHBondContact CD-OG1 3Å; R280-T305 CarbonylContact O-C 3.5Å; R280-T305 VanDerWaalsContact O-CA 3.31Å; R280-T305 WeakPolarHBondContact O-CA 3.38Å; R280-I306 PolarHBondContact O-N 3Å
281	A	98.8	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.			trans	-124.4	-119.7	-176.4	0	0	0	0	0	113	D91 L117 H200 E283 T305 I306	D91-A281 WeakPolarHBondContact OD1-CB 3.37Å; L117-A281 HydrophobicContact CB-CB 3.85Å; L117-A281 HydrophobicContact CD1-CB 3.99Å; H200-A281 PolarHBondContact O-N 2.84Å; A281-E283 PolarHBondContact O-N 3.05Å; A281-T305 WeakPolarHBondContact O-CG2 3.42Å; A281-I306 VanDerWaalsContact CA-O 3.29Å; A281-I306 WeakPolarHBondContact CA-O 3.37Å; A281-I306 WeakPolarHBondContact CB-O 3.44Å
282	H	98.6	Very high	98.5	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.191	C	C	.	.			trans	61.2	-20.7	160.8	-174.4	53.4	0	0	0	119.8	D91 N151 H200 D235 R255 R280	D91-H282 PolarHBondContact OD1-N 2.88Å; D91-H282 VanDerWaalsContact OD2-CA 3.28Å; D91-H282 WeakPolarHBondContact OD2-CA 3.02Å; D91-H282 PolarHBondContact OD2-N 2.89Å; N151-H282 PolarHBondContact OD1-CE1 2.69Å; N151-H282 VanDerWaalsContact OD1-CE1 3.29Å; N151-H282 PolarHBondContact OD1-ND1 2.89Å; H200-H282 AromaticContact CD2-ND1 3.99Å; H200-H282 AromaticContact NE2-CG 3.84Å; H200-H282 AromaticContact NE2-ND1 3.53Å; D235-H282 IonicContact OD1-CD2 2.97Å; D235-H282 PolarHBondContact OD1-CD2 2.76Å; D235-H282 IonicContact OD1-NE2 3.48Å; R255-H282 PolarHBondContact NE-NE2 2.88Å; R255-H282 VanDerWaalsContact NE-NE2 3.16Å; R255-H282 PolarHBondContact NH2-CD2 3.25Å; R255-H282 PolarHBondContact NH2-CE1 2.93Å; R255-H282 PolarHBondContact NH2-NE2 3.49Å; R255-H282 PolarHBondContact NH2-O 3.46Å; R280-H282 PolarHBondContact NH2-CD2 2.86Å; R280-H282 VanDerWaalsContact NH2-CD2 3.27Å
283	E	98.5	Very high	98.6	Very high	28 Å²	28	37.5 Å²	37.5	13%	0.131	18%	0.181	C	C	.	.	S	Bend	trans	-120.5	121	175	-75.2	179.9	97.5	0	0	110.4	D235 P236 R280 A281 Q285	D235-E283 WeakPolarHBondContact OD1-CG 3.45Å; P236-E283 VanDerWaalsContact CD-OE2 3.29Å; P236-E283 WeakPolarHBondContact CD-OE2 3.42Å; R280-E283 VanDerWaalsContact NH1-CG 3.33Å; R280-E283 IonicContact NH1-OE2 3.83Å; R280-E283 PolarHBondContact NH1-OE2 3.26Å; A281-E283 PolarHBondContact O-N 3.05Å; E283-Q285 WeakPolarHBondContact O-CG 3.28Å; E283-Q285 PolarHBondContact O-N 3.41Å; E283-Q285 PolarHBondContact O-NE2 2.87Å
284	A	97.8	Very high	98.5	Very high	9 Å²	9	42.5 Å²	42.5	7%	0.074	20%	0.202	C	C	.	.			trans	-53.5	137.4	173.5	0	0	0	0	0	111.7	F307 Y312 Y316 F470	A284-F307 HydrophobicContact CB-CD1 4.42Å; A284-F307 HydrophobicContact CB-CE1 3.95Å; A284-F307 HydrophobicContact CB-CE2 4.06Å; A284-F307 HydrophobicContact CB-CZ 3.76Å; A284-Y312 HydrophobicContact CB-CD1 4.37Å; A284-Y316 HydrophobicContact CB-CE1 4.28Å; A284-F470 HydrophobicContact CB-CE2 4.29Å; A284-F470 HydrophobicContact CB-CZ 4.13Å; A284-F470 WeakPolarHBondContact O-CZ 3.5Å
285	Q	98.6	Very high	98.5	Very high	19 Å²	19	36.2 Å²	36.2	9%	0.089	17%	0.169	C	C	.	.			trans	-128.5	133.6	178.4	-54.5	-57.6	-50.6	0	0	109.6	E283 A287 G288 R290 T305 F307	E283-Q285 WeakPolarHBondContact O-CG 3.28Å; E283-Q285 PolarHBondContact O-N 3.41Å; E283-Q285 PolarHBondContact O-NE2 2.87Å; Q285-A287 VanDerWaalsContact C-N 3.27Å; Q285-A287 PolarHBondContact O-N 2.93Å; Q285-G288 WeakPolarHBondContact O-CA 3.16Å; Q285-G288 PolarHBondContact O-N 3.01Å; Q285-R290 HydrophobicContact CG-CB 4.28Å; Q285-T305 HydrophobicContact CG-CG2 3.84Å; Q285-F307 HydrophobicContact CG-CB 4.43Å
286	D	97.9	Very high	98.3	Very high	87 Å²	87	42.8 Å²	42.8	47%	0.465	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-40.4	178.5	-176.8	41.8	0	0	0	112.2	G288 K319 F470	D286-G288 VanDerWaalsContact C-N 3.3Å; D286-G288 PolarHBondContact O-N 3.31Å; D286-K319 PolarHBondContact O-N 2.88Å; D286-F470 HydrophobicContact CB-CB 4.31Å; D286-F470 HydrophobicContact CB-CD1 4.05Å; D286-F470 HydrophobicContact CB-CD2 3.9Å; D286-F470 HydrophobicContact CB-CE1 4.4Å; D286-F470 HydrophobicContact CB-CE2 4.24Å; D286-F470 HydrophobicContact CB-CG 3.81Å; D286-F470 HydrophobicContact CB-CZ 4.49Å
287	A	98.4	Very high	98	Very high	35 Å²	35	46.1 Å²	46.1	29%	0.289	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.2	175.4	0	0	0	0	0	114	Q285 Y289 Q334	Q285-A287 VanDerWaalsContact C-N 3.27Å; Q285-A287 PolarHBondContact O-N 2.93Å; A287-Y289 HydrophobicContact CB-CD1 4.12Å; A287-Y289 HydrophobicContact CB-CE1 4.09Å; A287-Y289 WeakPolarHBondContact O-CD1 3.41Å; A287-Y289 PolarHBondContact O-N 2.79Å; A287-Q334 PolarHBondContact O-NE2 2.77Å
288	G	98.6	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	74	0.6	-171.4	0	0	0	0	0	114.5	Q285 D286 F307 K319 A321	Q285-G288 WeakPolarHBondContact O-CA 3.16Å; Q285-G288 PolarHBondContact O-N 3.01Å; D286-G288 VanDerWaalsContact C-N 3.3Å; D286-G288 PolarHBondContact O-N 3.31Å; G288-F307 PolarHBondContact O-N 3.38Å; G288-K319 WeakPolarHBondContact CA-O 3.14Å; G288-K319 PolarHBondContact N-O 2.75Å; G288-K319 VanDerWaalsContact N-O 3.13Å; G288-A321 WeakPolarHBondContact O-CB 3.46Å
289	Y	98.8	Very high	97.8	Very high	74 Å²	74	51.5 Å²	51.5	29%	0.29	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	162.9	172.9	77	-75	0	0	0	111.2	A287 M291 T305 A321 I332 Q334	A287-Y289 HydrophobicContact CB-CD1 4.12Å; A287-Y289 HydrophobicContact CB-CE1 4.09Å; A287-Y289 WeakPolarHBondContact O-CD1 3.41Å; A287-Y289 PolarHBondContact O-N 2.79Å; Y289-M291 HydrophobicContact CD2-CG 4.19Å; Y289-M291 HydrophobicContact CE2-CE 4.25Å; Y289-M291 HydrophobicContact CE2-CG 4.15Å; Y289-T305 CarbonylContact C-O 3.55Å; Y289-T305 WeakPolarHBondContact CA-O 3.3Å; Y289-T305 WeakPolarHBondContact CB-O 3.19Å; Y289-A321 HydrophobicContact CD1-CB 4.39Å; Y289-I332 HydrophobicContact CD1-CG2 3.58Å; Y289-I332 HydrophobicContact CD2-CG1 4.12Å; Y289-I332 HydrophobicContact CD2-CG2 4.26Å; Y289-I332 HydrophobicContact CE1-CG2 3.91Å; Y289-I332 HydrophobicContact CE2-CG1 4.23Å; Y289-I332 HydrophobicContact CG-CG1 4.45Å; Y289-I332 HydrophobicContact CG-CG2 3.77Å; Y289-Q334 HydrophobicContact CD1-CG 4.48Å; Y289-Q334 HydrophobicContact CE1-CG 4.39Å
290	R	98.7	Very high	97.7	Very high	98 Å²	98	54 Å²	54	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	127.3	169.2	-178.7	171.7	175.9	-176	-1	110.3	Q285 Y292 I304 T305	Q285-R290 HydrophobicContact CG-CB 4.28Å; R290-Y292 HydrophobicContact CB-CE2 3.93Å; R290-Y292 HydrophobicContact CG-CD2 4.06Å; R290-Y292 HydrophobicContact CG-CE1 4.48Å; R290-Y292 HydrophobicContact CG-CE2 3.67Å; R290-I304 WeakPolarHBondContact O-CA 3.4Å; R290-T305 PolarHBondContact N-O 2.78Å; R290-T305 PolarHBondContact O-N 3.15Å
291	M	98.5	Very high	97.7	Very high	86 Å²	86	54.5 Å²	54.5	42%	0.424	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.9	168.3	-66.4	-174.4	-178.9	0	0	108.7	Y289 P301 I332	Y289-M291 HydrophobicContact CD2-CG 4.19Å; Y289-M291 HydrophobicContact CE2-CE 4.25Å; Y289-M291 HydrophobicContact CE2-CG 4.15Å; M291-P301 HydrophobicContact CB-CB 4.29Å; M291-P301 HydrophobicContact CB-CG 4.15Å; M291-P301 HydrophobicContact CG-CG 4.35Å; M291-P301 HydrophobicContact SD-CG 4.07Å; M291-I332 HydrophobicContact CE-CD1 4.25Å; M291-I332 HydrophobicContact CE-CG1 3.8Å
292	Y	98.6	Very high	97.7	Very high	15 Å²	15	54.5 Å²	54.5	6%	0.059	28%	0.277	C	S	.	.			trans	-90.8	-176.9	-178.2	-67.2	-106	0	0	0	111.1	P236 F240 R290 K294 L303 T305	P236-Y292 HydrophobicContact CB-CE1 3.93Å; P236-Y292 HydrophobicContact CG-CE1 3.66Å; P236-Y292 WeakPolarHBondContact CG-OH 3.42Å; F240-Y292 HydrophobicContact CB-CD1 4.06Å; F240-Y292 HydrophobicContact CB-CE1 4.37Å; F240-Y292 AromaticContact CD1-CD1 3.56Å; F240-Y292 HydrophobicContact CD1-CD1 3.56Å; F240-Y292 HydrophobicContact CD1-CG 4.06Å; F240-Y292 HydrophobicContact CE1-CD1 4.18Å; F240-Y292 HydrophobicContact CE1-CG 4.25Å; F240-Y292 AromaticContact CG-CD1 3.96Å; F240-Y292 HydrophobicContact CG-CD1 3.96Å; R290-Y292 HydrophobicContact CB-CE2 3.93Å; R290-Y292 HydrophobicContact CG-CD2 4.06Å; R290-Y292 HydrophobicContact CG-CE1 4.48Å; R290-Y292 HydrophobicContact CG-CE2 3.67Å; Y292-K294 PolarHBondContact O-N 3.24Å; Y292-L303 WeakPolarHBondContact CB-O 3.43Å; Y292-L303 HydrophobicContact CD1-CD2 4.13Å; Y292-L303 HydrophobicContact CD2-CB 4Å; Y292-L303 HydrophobicContact CD2-CD2 3.82Å; Y292-L303 HydrophobicContact CD2-CG 3.81Å; Y292-L303 WeakPolarHBondContact CD2-O 3.29Å; Y292-L303 HydrophobicContact CE1-CD2 4.18Å; Y292-L303 HydrophobicContact CE2-CD2 3.92Å; Y292-L303 HydrophobicContact CE2-CG 4.14Å; Y292-L303 HydrophobicContact CG-CB 4.08Å; Y292-L303 HydrophobicContact CG-CD2 3.94Å; Y292-L303 HydrophobicContact CG-CG 4.22Å; Y292-L303 PolarHBondContact N-O 3.19Å; Y292-T305 VanDerWaalsContact CE2-OG1 3.3Å; Y292-T305 WeakPolarHBondContact CE2-OG1 3.42Å; Y292-T305 PolarHBondContact OH-OG1 3.18Å
293	R	98.4	Very high	97.7	Very high	111 Å²	111	54.4 Å²	54.4	42%	0.419	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-48.9	136.5	-179.5	-177.7	172.7	179.8	-179.2	0.3	111.2	G241 Y263 S302	G241-R293 VanDerWaalsContact CA-CD 3.49Å; G241-R293 WeakPolarHBondContact O-CD 3.22Å; G241-R293 PolarHBondContact O-NH1 2.96Å; Y263-R293 HydrophobicContact CD2-CB 3.83Å; Y263-R293 HydrophobicContact CD2-CG 4.04Å; Y263-R293 HydrophobicContact CE2-CB 3.84Å; Y263-R293 HydrophobicContact CE2-CG 3.65Å; R293-S302 PolarHBondContact O-N 3.39Å; R293-S302 PolarHBondContact O-OG 3.38Å
294	K	98.4	Very high	97.8	Very high	131 Å²	131	53.1 Å²	53.1	57%	0.57	27%	0.271	S	S	*	.	B	Isolated β-bridge	trans	-71.6	137.9	177.8	-68.5	172.2	168.4	-167.6	0	110.8	Y263 Y292 Q296 G299 F300	Y263-K294 PolarHBondContact OH-O 2.86Å; Y292-K294 PolarHBondContact O-N 3.24Å; K294-Q296 PolarHBondContact O-N 2.77Å; K294-G299 VanDerWaalsContact CD-O 3.25Å; K294-G299 WeakPolarHBondContact CD-O 3.3Å; K294-F300 CarbonylContact C-O 3.53Å; K294-F300 VanDerWaalsContact CA-O 3.29Å; K294-F300 WeakPolarHBondContact CA-O 2.97Å
295	S	96.7	Very high	97.8	Very high	10 Å²	10	52.7 Å²	52.7	7%	0.07	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-58.4	133.9	167.4	171.8	0	0	0	0	109.7	Y263 T297 T298 G299 F300	Y263-S295 WeakPolarHBondContact OH-CA 3.18Å; S295-T297 PolarHBondContact O-N 3.02Å; S295-T297 PolarHBondContact OG-N 3.5Å; S295-T298 WeakPolarHBondContact CB-OG1 3.5Å; S295-G299 WeakPolarHBondContact O-CA 3.41Å; S295-G299 PolarHBondContact O-N 3.06Å; S295-F300 PolarHBondContact N-O 3.17Å
296	Q	94.1	Very high	97.8	Very high	156 Å²	156	51.8 Å²	51.8	73%	0.729	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.8	179	-63	-178.2	27.3	0	0	111.8	Y263 K294	Y263-Q296 PolarHBondContact OH-N 2.67Å; K294-Q296 PolarHBondContact O-N 2.77Å
297	T	93.5	Very high	97.9	Very high	107 Å²	107	47.7 Å²	47.7	66%	0.656	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-41.5	-177.2	-46	0	0	0	0	112.2	S295	S295-T297 PolarHBondContact O-N 3.02Å; S295-T297 PolarHBondContact OG-N 3.5Å
298	T	95.8	Very high	97.9	Very high	69 Å²	69	46.1 Å²	46.1	42%	0.423	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-17.2	-172	65.4	0	0	0	0	113.6	L276 S295 F300	L276-T298 HydrophobicContact CD1-CG2 3.83Å; S295-T298 WeakPolarHBondContact CB-OG1 3.5Å; T298-F300 PolarHBondContact O-N 3.43Å; T298-F300 PolarHBondContact OG1-N 3.27Å
299	G	97.1	Very high	97.9	Very high	44 Å²	44	46.2 Å²	46.2	45%	0.454	23%	0.228	S	C	.	.	S	Bend	trans	67.2	7.2	-172	0	0	0	0	0	114.1	K294 S295	K294-G299 VanDerWaalsContact CD-O 3.25Å; K294-G299 WeakPolarHBondContact CD-O 3.3Å; S295-G299 WeakPolarHBondContact O-CA 3.41Å; S295-G299 PolarHBondContact O-N 3.06Å
300	F	98.1	Very high	97.9	Very high	53 Å²	53	42.7 Å²	42.7	23%	0.232	22%	0.215	C	C	.	.	S	Bend	trans	-99.8	147.2	180	-164.6	-93.1	0	0	0	110.5	F196 L276 K294 S295 T298 S302 I304 M330	F196-F300 AromaticContact CE1-CE1 3.8Å; F196-F300 HydrophobicContact CE1-CE1 3.8Å; F196-F300 HydrophobicContact CE1-CZ 4.17Å; F196-F300 HydrophobicContact CZ-CZ 4.48Å; L276-F300 HydrophobicContact CD1-CB 3.68Å; L276-F300 HydrophobicContact CD1-CD1 4.21Å; L276-F300 HydrophobicContact CD1-CG 3.99Å; L276-F300 HydrophobicContact CD2-CD1 4.1Å; L276-F300 HydrophobicContact CD2-CD2 4.37Å; L276-F300 HydrophobicContact CD2-CE1 4.4Å; L276-F300 HydrophobicContact CD2-CG 4.1Å; L276-F300 HydrophobicContact CG-CB 4.2Å; L276-F300 HydrophobicContact CG-CD1 3.76Å; L276-F300 HydrophobicContact CG-CE1 4.39Å; L276-F300 HydrophobicContact CG-CG 3.96Å; K294-F300 CarbonylContact C-O 3.53Å; K294-F300 VanDerWaalsContact CA-O 3.29Å; K294-F300 WeakPolarHBondContact CA-O 2.97Å; S295-F300 PolarHBondContact N-O 3.17Å; T298-F300 PolarHBondContact O-N 3.43Å; T298-F300 PolarHBondContact OG1-N 3.27Å; F300-S302 PolarHBondContact O-N 3.07Å; F300-I304 HydrophobicContact CE1-CD1 4.1Å; F300-I304 HydrophobicContact CZ-CD1 4.38Å; F300-M330 HydrophobicContact CE1-CE 4.19Å; F300-M330 HydrophobicContact CZ-CE 3.65Å; F300-M330 HydrophobicContact CZ-SD 3.86Å
301	P	98.6	Very high	97.9	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.071	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-49.9	124.5	174.8	-28.6	35.8	0	0	0	111.7	S277 M291 L303 I304	S277-P301 WeakPolarHBondContact CB-O 3.36Å; S277-P301 PolarHBondContact OG-O 3.39Å; M291-P301 HydrophobicContact CB-CB 4.29Å; M291-P301 HydrophobicContact CB-CG 4.15Å; M291-P301 HydrophobicContact CG-CG 4.35Å; M291-P301 HydrophobicContact SD-CG 4.07Å; P301-L303 VanDerWaalsContact C-N 3.26Å; P301-L303 PolarHBondContact O-N 3.44Å; P301-I304 HydrophobicContact CB-CD1 4.46Å; P301-I304 HydrophobicContact CB-CG1 4.08Å
302	S	98.7	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-70.9	-26.7	-179.1	63.1	0	0	0	0	112.5	Y263 S277 I278 R293 F300	Y263-S302 WeakPolarHBondContact CD2-OG 3.49Å; S277-S302 WeakPolarHBondContact CA-O 3.28Å; S277-S302 PolarHBondContact OG-O 3.21Å; I278-S302 PolarHBondContact N-O 2.85Å; R293-S302 PolarHBondContact O-N 3.39Å; R293-S302 PolarHBondContact O-OG 3.38Å; F300-S302 PolarHBondContact O-N 3.07Å
303	L	98.9	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.7	179	179.6	71.5	0	0	0	110	P236 F240 Y261 I278 R280 Y292 P301	P236-L303 HydrophobicContact CB-CD2 3.63Å; P236-L303 HydrophobicContact CG-CD2 3.83Å; F240-L303 HydrophobicContact CE1-CB 4.29Å; F240-L303 HydrophobicContact CE2-CD2 4.28Å; F240-L303 HydrophobicContact CZ-CB 4.11Å; F240-L303 HydrophobicContact CZ-CD2 4.2Å; Y261-L303 HydrophobicContact CE2-CD1 4.45Å; Y261-L303 HydrophobicContact CE2-CD2 3.89Å; I278-L303 HydrophobicContact CB-CD1 3.76Å; I278-L303 HydrophobicContact CG2-CD1 3.8Å; I278-L303 CarbonylContact O-C 3.47Å; I278-L303 WeakPolarHBondContact O-CA 3.44Å; R280-L303 HydrophobicContact CG-CD1 3.76Å; Y292-L303 WeakPolarHBondContact CB-O 3.43Å; Y292-L303 HydrophobicContact CD1-CD2 4.13Å; Y292-L303 HydrophobicContact CD2-CB 4Å; Y292-L303 HydrophobicContact CD2-CD2 3.82Å; Y292-L303 HydrophobicContact CD2-CG 3.81Å; Y292-L303 WeakPolarHBondContact CD2-O 3.29Å; Y292-L303 HydrophobicContact CE1-CD2 4.18Å; Y292-L303 HydrophobicContact CE2-CD2 3.92Å; Y292-L303 HydrophobicContact CE2-CG 4.14Å; Y292-L303 HydrophobicContact CG-CB 4.08Å; Y292-L303 HydrophobicContact CG-CD2 3.94Å; Y292-L303 HydrophobicContact CG-CG 4.22Å; Y292-L303 PolarHBondContact N-O 3.19Å; P301-L303 VanDerWaalsContact C-N 3.26Å; P301-L303 PolarHBondContact O-N 3.44Å
304	I	98.9	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.1	174.1	-55.7	178.3	0	0	0	108.7	I278 I279 R280 R290 F300 P301 L323 M330	I278-I304 PolarHBondContact O-N 2.91Å; I279-I304 WeakPolarHBondContact CA-O 3.37Å; R280-I304 PolarHBondContact N-O 3.26Å; R290-I304 WeakPolarHBondContact O-CA 3.4Å; F300-I304 HydrophobicContact CE1-CD1 4.1Å; F300-I304 HydrophobicContact CZ-CD1 4.38Å; P301-I304 HydrophobicContact CB-CD1 4.46Å; P301-I304 HydrophobicContact CB-CG1 4.08Å; I304-L323 HydrophobicContact CG2-CD1 4.38Å; I304-M330 HydrophobicContact CD1-CE 3.89Å; I304-M330 HydrophobicContact CD1-SD 3.35Å; I304-M330 WeakPolarHBondContact CD1-SD 3.39Å
305	T	98.9	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.6	167.3	-62.9	0	0	0	0	109	R280 A281 Q285 Y289 R290 Y292	R280-T305 VanDerWaalsContact CD-OG1 3.22Å; R280-T305 WeakPolarHBondContact CD-OG1 3Å; R280-T305 CarbonylContact O-C 3.5Å; R280-T305 VanDerWaalsContact O-CA 3.31Å; R280-T305 WeakPolarHBondContact O-CA 3.38Å; A281-T305 WeakPolarHBondContact O-CG2 3.42Å; Q285-T305 HydrophobicContact CG-CG2 3.84Å; Y289-T305 CarbonylContact C-O 3.55Å; Y289-T305 WeakPolarHBondContact CA-O 3.3Å; Y289-T305 WeakPolarHBondContact CB-O 3.19Å; R290-T305 PolarHBondContact N-O 2.78Å; R290-T305 PolarHBondContact O-N 3.15Å; Y292-T305 VanDerWaalsContact CE2-OG1 3.3Å; Y292-T305 WeakPolarHBondContact CE2-OG1 3.42Å; Y292-T305 PolarHBondContact OH-OG1 3.18Å
306	I	98.9	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.6	173.1	-167.1	67.1	0	0	0	109.4	G90 L117 I279 R280 A281 A321 L323	G90-I306 WeakPolarHBondContact CA-O 3.33Å; L117-I306 HydrophobicContact CD1-CG2 3.6Å; I279-I306 HydrophobicContact CG2-CG2 4.42Å; R280-I306 PolarHBondContact O-N 3Å; A281-I306 VanDerWaalsContact CA-O 3.29Å; A281-I306 WeakPolarHBondContact CA-O 3.37Å; A281-I306 WeakPolarHBondContact CB-O 3.44Å; I306-A321 HydrophobicContact CD1-CB 3.74Å; I306-L323 HydrophobicContact CD1-CB 4.34Å
307	F	98.9	Very high	96.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	18%	0.183	C	C	.	.			trans	-133.6	124.1	-177.4	-170.1	-103.2	0	0	0	109.7	D91 A284 Q285 G288 A309 Y312 A320 A321	D91-F307 HydrophobicContact CB-CD2 3.9Å; D91-F307 HydrophobicContact CB-CE2 3.67Å; D91-F307 WeakPolarHBondContact OD2-CD2 3.27Å; D91-F307 WeakPolarHBondContact OD2-CE2 3.29Å; A284-F307 HydrophobicContact CB-CD1 4.42Å; A284-F307 HydrophobicContact CB-CE1 3.95Å; A284-F307 HydrophobicContact CB-CE2 4.06Å; A284-F307 HydrophobicContact CB-CZ 3.76Å; Q285-F307 HydrophobicContact CG-CB 4.43Å; G288-F307 PolarHBondContact O-N 3.38Å; F307-A309 HydrophobicContact CE1-CB 3.81Å; F307-A309 WeakPolarHBondContact CE1-O 3.46Å; F307-A309 HydrophobicContact CZ-CB 3.94Å; F307-Y312 HydrophobicContact CE1-CG 4.27Å; F307-Y312 HydrophobicContact CZ-CD1 4.19Å; F307-Y312 HydrophobicContact CZ-CD2 4.17Å; F307-Y312 AromaticContact CZ-CG 3.96Å; F307-Y312 HydrophobicContact CZ-CG 3.96Å; F307-A320 WeakPolarHBondContact O-CA 3.49Å; F307-A321 PolarHBondContact O-N 2.79Å
308	S	98.9	Very high	96.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	15%	0.153	C	C	.	.			trans	-113.5	9.9	-165	-64.3	0	0	0	0	114.4	G90 D91 P310 A320 A321 F335	G90-S308 PolarHBondContact N-OG 3.02Å; D91-S308 CarbonylContact O-C 3.57Å; D91-S308 VanDerWaalsContact O-CA 3.32Å; D91-S308 WeakPolarHBondContact O-CA 3.37Å; D91-S308 WeakPolarHBondContact O-CB 3.39Å; D91-S308 PolarHBondContact O-N 3.36Å; S308-P310 WeakPolarHBondContact O-CD 3.4Å; S308-A320 VanDerWaalsContact C-CB 3.5Å; S308-A321 PolarHBondContact OG-O 3.08Å; S308-F335 WeakPolarHBondContact O-CZ 3.36Å
309	A	98.8	Very high	97	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	15%	0.15	C	C	.	.			trans	-104.2	100.1	174.8	0	0	0	0	0	111.3	D91 F307 Y312 N318	D91-A309 PolarHBondContact O-N 2.84Å; D91-A309 VanDerWaalsContact O-N 3.12Å; F307-A309 HydrophobicContact CE1-CB 3.81Å; F307-A309 WeakPolarHBondContact CE1-O 3.46Å; F307-A309 HydrophobicContact CZ-CB 3.94Å; A309-Y312 HydrophobicContact CB-CD2 4.28Å; A309-N318 PolarHBondContact O-ND2 3.09Å
310	P	98.6	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	151.4	-179.4	32.4	-35	0	0	0	110.9	Q95 D98 S308 Y312 A320 F335 C337	Q95-P310 PolarHBondContact NE2-O 2.94Å; D98-P310 HydrophobicContact CB-CG 3.81Å; D98-P310 VanDerWaalsContact CG-CG 3.46Å; S308-P310 WeakPolarHBondContact O-CD 3.4Å; P310-Y312 PolarHBondContact O-N 3.04Å; P310-A320 HydrophobicContact CB-CB 3.67Å; P310-A320 VanDerWaalsContact CD-CB 3.5Å; P310-A320 HydrophobicContact CG-CB 3.97Å; P310-F335 HydrophobicContact CG-CD2 4.22Å; P310-F335 HydrophobicContact CG-CE2 3.9Å; P310-C337 HydrophobicContact CB-CB 4.04Å; P310-C337 HydrophobicContact CG-CB 3.97Å
311	N	97.9	Very high	97.1	Very high	27 Å²	27	22.2 Å²	22.2	14%	0.144	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	51	-174.3	-171.3	39.4	0	0	0	111.9	L313 D314 N317 N318 C337	N311-L313 PolarHBondContact O-N 2.85Å; N311-D314 WeakPolarHBondContact ND2-CA 3.2Å; N311-D314 PolarHBondContact ND2-O 3.06Å; N311-D314 WeakPolarHBondContact O-CA 3.47Å; N311-D314 PolarHBondContact O-N 2.9Å; N311-N317 WeakPolarHBondContact OD1-CA 3.41Å; N311-N317 PolarHBondContact OD1-N 3.02Å; N311-N318 PolarHBondContact N-O 3.31Å; N311-N318 PolarHBondContact N-OD1 3.44Å; N311-C337 HydrophobicContact CB-CB 3.63Å
312	Y	96.8	Very high	97.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.008	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-52.3	135.8	-174.1	178.3	-127	0	0	0	111	H93 R123 A284 F307 A309 P310 D314 V315 Y316 N318	H93-Y312 HydrophobicContact CB-CE2 3.94Å; H93-Y312 AromaticContact CD2-CE2 3.47Å; H93-Y312 VanDerWaalsContact CD2-CE2 3.47Å; H93-Y312 WeakPolarHBondContact CD2-CE2 3.37Å; H93-Y312 AromaticContact CD2-CZ 3.94Å; H93-Y312 AromaticContact CG-CE2 3.83Å; R123-Y312 HydrophobicContact CB-CE2 4.17Å; R123-Y312 HydrophobicContact CG-CE2 4.31Å; R123-Y312 WeakPolarHBondContact CG-OH 3.49Å; R123-Y312 PolarHBondContact NH1-OH 2.94Å; R123-Y312 VanDerWaalsContact NH1-OH 3.11Å; A284-Y312 HydrophobicContact CB-CD1 4.37Å; F307-Y312 HydrophobicContact CE1-CG 4.27Å; F307-Y312 HydrophobicContact CZ-CD1 4.19Å; F307-Y312 HydrophobicContact CZ-CD2 4.17Å; F307-Y312 AromaticContact CZ-CG 3.96Å; F307-Y312 HydrophobicContact CZ-CG 3.96Å; A309-Y312 HydrophobicContact CB-CD2 4.28Å; P310-Y312 PolarHBondContact O-N 3.04Å; Y312-D314 PolarHBondContact O-N 3.22Å; Y312-D314 VanDerWaalsContact O-N 3.13Å; Y312-V315 PolarHBondContact O-N 3.23Å; Y312-Y316 HydrophobicContact CD1-CD1 4.39Å; Y312-Y316 AromaticContact CD1-CD2 3.74Å; Y312-Y316 HydrophobicContact CD1-CD2 3.74Å; Y312-Y316 HydrophobicContact CD1-CE1 4.26Å; Y312-Y316 AromaticContact CD1-CE2 3.6Å; Y312-Y316 HydrophobicContact CD1-CE2 3.6Å; Y312-Y316 HydrophobicContact CD1-CG 4.11Å; Y312-Y316 AromaticContact CD1-CZ 3.84Å; Y312-Y316 HydrophobicContact CE1-CE2 4.02Å; Y312-Y316 HydrophobicContact CG-CD2 4.37Å; Y312-Y316 WeakPolarHBondContact O-CB 3.45Å; Y312-Y316 WeakPolarHBondContact O-CD2 3.14Å; Y312-Y316 PolarHBondContact O-N 2.83Å; Y312-N318 WeakPolarHBondContact CB-OD1 3.17Å; Y312-N318 PolarHBondContact N-OD1 2.78Å
313	L	91.5	Very high	97.1	Very high	48 Å²	48	21.7 Å²	21.7	25%	0.251	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	56.3	21.7	-174.6	-46.9	-174.2	0	0	0	115.2	R123 N311 V315 Y316 D477	R123-L313 HydrophobicContact CB-CD2 3.55Å; R123-L313 HydrophobicContact CG-CD2 4.38Å; R123-L313 VanDerWaalsContact NH2-CD1 3.31Å; N311-L313 PolarHBondContact O-N 2.85Å; L313-V315 HydrophobicContact CB-CG2 4.03Å; L313-V315 PolarHBondContact O-N 3.06Å; L313-Y316 HydrophobicContact CB-CD2 4.37Å; L313-Y316 HydrophobicContact CD1-CD2 4.4Å; L313-Y316 HydrophobicContact CD1-CE2 3.79Å; L313-Y316 HydrophobicContact CG-CD2 4.33Å; L313-Y316 HydrophobicContact CG-CE2 4.14Å; L313-D477 WeakPolarHBondContact CD1-OD2 3.24Å
314	D	93.6	Very high	97.1	Very high	92 Å²	92	24 Å²	24	49%	0.492	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	61.6	7.5	-174.7	-60.6	-37.4	0	0	0	115.8	N311 Y312 H340	N311-D314 WeakPolarHBondContact ND2-CA 3.2Å; N311-D314 PolarHBondContact ND2-O 3.06Å; N311-D314 WeakPolarHBondContact O-CA 3.47Å; N311-D314 PolarHBondContact O-N 2.9Å; Y312-D314 PolarHBondContact O-N 3.22Å; Y312-D314 VanDerWaalsContact O-N 3.13Å; D314-H340 IonicContact OD1-CE1 3.64Å; D314-H340 IonicContact OD1-NE2 3.28Å; D314-H340 PolarHBondContact OD1-NE2 3.35Å; D314-H340 IonicContact OD2-CE1 3.84Å; D314-H340 PolarHBondContact OD2-CE1 3.48Å; D314-H340 VanDerWaalsContact OD2-CE1 3.32Å; D314-H340 IonicContact OD2-NE2 3.59Å; D314-H340 PolarHBondContact OD2-NE2 2.7Å
315	V	90.8	Very high	97.1	Very high	60 Å²	60	24.6 Å²	24.6	36%	0.364	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-25.1	-172.8	-61.2	0	0	0	0	114.7	Y312 L313 N317 I467 A473	Y312-V315 PolarHBondContact O-N 3.23Å; L313-V315 HydrophobicContact CB-CG2 4.03Å; L313-V315 PolarHBondContact O-N 3.06Å; V315-N317 PolarHBondContact O-N 2.88Å; V315-I467 HydrophobicContact CB-CD1 3.88Å; V315-I467 HydrophobicContact CG1-CD1 4.17Å; V315-I467 HydrophobicContact CG2-CD1 3.96Å; V315-A473 HydrophobicContact CG2-CB 4.34Å
316	Y	91.1	Very high	96.9	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.012	15%	0.148	C	C	.	.	S	Bend	trans	-69.2	-24.5	-177.2	-85.8	-110.7	0	0	0	113	A284 Y312 L313 N318 F470 A473 K474 D477	A284-Y316 HydrophobicContact CB-CE1 4.28Å; Y312-Y316 HydrophobicContact CD1-CD1 4.39Å; Y312-Y316 AromaticContact CD1-CD2 3.74Å; Y312-Y316 HydrophobicContact CD1-CD2 3.74Å; Y312-Y316 HydrophobicContact CD1-CE1 4.26Å; Y312-Y316 AromaticContact CD1-CE2 3.6Å; Y312-Y316 HydrophobicContact CD1-CE2 3.6Å; Y312-Y316 HydrophobicContact CD1-CG 4.11Å; Y312-Y316 AromaticContact CD1-CZ 3.84Å; Y312-Y316 HydrophobicContact CE1-CE2 4.02Å; Y312-Y316 HydrophobicContact CG-CD2 4.37Å; Y312-Y316 WeakPolarHBondContact O-CB 3.45Å; Y312-Y316 WeakPolarHBondContact O-CD2 3.14Å; Y312-Y316 PolarHBondContact O-N 2.83Å; L313-Y316 HydrophobicContact CB-CD2 4.37Å; L313-Y316 HydrophobicContact CD1-CD2 4.4Å; L313-Y316 HydrophobicContact CD1-CE2 3.79Å; L313-Y316 HydrophobicContact CG-CD2 4.33Å; L313-Y316 HydrophobicContact CG-CE2 4.14Å; Y316-N318 WeakPolarHBondContact CB-OD1 3.1Å; Y316-N318 PolarHBondContact O-N 3.13Å; Y316-F470 AromaticContact CD1-CD2 3.68Å; Y316-F470 HydrophobicContact CD1-CD2 3.68Å; Y316-F470 AromaticContact CD1-CE2 3.54Å; Y316-F470 HydrophobicContact CD1-CE2 3.54Å; Y316-F470 HydrophobicContact CD1-CG 4.48Å; Y316-F470 HydrophobicContact CD1-CZ 4.21Å; Y316-F470 HydrophobicContact CE1-CE2 4.2Å; Y316-F470 HydrophobicContact CE1-CZ 4.46Å; Y316-F470 HydrophobicContact CG-CD2 4.49Å; Y316-A473 HydrophobicContact CD1-CB 3.88Å; Y316-A473 HydrophobicContact CD2-CB 3.62Å; Y316-A473 HydrophobicContact CE1-CB 4.16Å; Y316-A473 HydrophobicContact CE2-CB 3.91Å; Y316-A473 HydrophobicContact CG-CB 3.64Å; Y316-K474 HydrophobicContact CE1-CB 3.78Å; Y316-K474 HydrophobicContact CE1-CG 4.43Å; Y316-D477 HydrophobicContact CE2-CB 4.13Å; Y316-D477 WeakPolarHBondContact OH-CB 3.15Å; Y316-D477 PolarHBondContact OH-OD2 3.34Å
317	N	95.4	Very high	96.7	Very high	132 Å²	132	35.9 Å²	35.9	71%	0.706	18%	0.183	S	C	*	.			trans	54.9	20.3	-178.8	-164.9	41.8	0	0	0	114.8	N311 V315	N311-N317 WeakPolarHBondContact OD1-CA 3.41Å; N311-N317 PolarHBondContact OD1-N 3.02Å; V315-N317 PolarHBondContact O-N 2.88Å
318	N	98.3	Very high	96.3	Very high	5 Å²	5	42 Å²	42	3%	0.027	22%	0.216	C	C	.	.			trans	-73.3	159.4	177.1	65	-68.9	0	0	0	112.1	A309 N311 Y312 Y316 F470	A309-N318 PolarHBondContact O-ND2 3.09Å; N311-N318 PolarHBondContact N-O 3.31Å; N311-N318 PolarHBondContact N-OD1 3.44Å; Y312-N318 WeakPolarHBondContact CB-OD1 3.17Å; Y312-N318 PolarHBondContact N-OD1 2.78Å; Y316-N318 WeakPolarHBondContact CB-OD1 3.1Å; Y316-N318 PolarHBondContact O-N 3.13Å; N318-F470 HydrophobicContact CB-CD2 3.82Å; N318-F470 HydrophobicContact CB-CE2 3.85Å
319	K	98.6	Very high	96.2	Very high	82 Å²	82	46.2 Å²	46.2	36%	0.357	24%	0.242	S	C	.	.			trans	-78.7	158.6	161.4	-64.8	179.5	-179.5	-67.2	0	110.3	D286 G288 N336	D286-K319 PolarHBondContact O-N 2.88Å; G288-K319 WeakPolarHBondContact CA-O 3.14Å; G288-K319 PolarHBondContact N-O 2.75Å; G288-K319 VanDerWaalsContact N-O 3.13Å; K319-N336 PolarHBondContact NZ-OD1 3.39Å
320	A	98.9	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	163.4	161.9	0	0	0	0	0	110.5	F307 S308 P310 Q334 F335	F307-A320 WeakPolarHBondContact O-CA 3.49Å; S308-A320 VanDerWaalsContact C-CB 3.5Å; P310-A320 HydrophobicContact CB-CB 3.67Å; P310-A320 VanDerWaalsContact CD-CB 3.5Å; P310-A320 HydrophobicContact CG-CB 3.97Å; A320-Q334 CarbonylContact O-C 3.09Å; A320-Q334 WeakPolarHBondContact O-CA 3.4Å; A320-F335 HydrophobicContact CB-CD1 4.07Å; A320-F335 HydrophobicContact CB-CD2 4.09Å; A320-F335 HydrophobicContact CB-CE1 3.58Å; A320-F335 HydrophobicContact CB-CE2 3.63Å; A320-F335 HydrophobicContact CB-CG 4.3Å; A320-F335 HydrophobicContact CB-CZ 3.34Å; A320-F335 PolarHBondContact N-O 3.11Å; A320-F335 PolarHBondContact O-N 3.48Å
321	A	98.9	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.7	170	0	0	0	0	0	113.1	G288 Y289 I306 F307 S308 I332 R333 Q334	G288-A321 WeakPolarHBondContact O-CB 3.46Å; Y289-A321 HydrophobicContact CD1-CB 4.39Å; I306-A321 HydrophobicContact CD1-CB 3.74Å; F307-A321 PolarHBondContact O-N 2.79Å; S308-A321 PolarHBondContact OG-O 3.08Å; A321-I332 HydrophobicContact CB-CG2 3.69Å; A321-R333 CarbonylContact C-O 3.6Å; A321-R333 VanDerWaalsContact CA-O 3.24Å; A321-R333 WeakPolarHBondContact CA-O 3.48Å; A321-Q334 HydrophobicContact CB-CG 4.07Å
322	V	98.9	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.6	162.5	-62.5	0	0	0	0	110.1	T87 C89 L102 V105 R333 F335	T87-V322 HydrophobicContact CG2-CB 3.85Å; T87-V322 HydrophobicContact CG2-CG1 4.41Å; T87-V322 HydrophobicContact CG2-CG2 3.92Å; C89-V322 HydrophobicContact CB-CG1 4.4Å; L102-V322 HydrophobicContact CD1-CG1 4Å; L102-V322 HydrophobicContact CD2-CG1 4.32Å; L102-V322 HydrophobicContact CG-CG1 3.74Å; V105-V322 HydrophobicContact CG1-CG2 4.39Å; V322-R333 HydrophobicContact CG2-CB 3.92Å; V322-R333 PolarHBondContact N-O 2.69Å; V322-R333 PolarHBondContact O-N 3.45Å; V322-F335 HydrophobicContact CG1-CE1 4.22Å
323	L	98.8	Very high	96.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.9	177	-179.9	166.7	0	0	0	109.1	T87 V88 I279 I304 I306 M330 I332	T87-L323 CarbonylContact C-O 3.53Å; T87-L323 WeakPolarHBondContact CA-O 3.34Å; V88-L323 HydrophobicContact CB-CB 4.27Å; V88-L323 HydrophobicContact CG2-CD2 4.25Å; V88-L323 PolarHBondContact N-O 3.12Å; V88-L323 PolarHBondContact O-N 3.05Å; I279-L323 HydrophobicContact CD1-CD1 3.94Å; I279-L323 HydrophobicContact CG1-CD1 4.48Å; I279-L323 HydrophobicContact CG2-CD1 4.23Å; I304-L323 HydrophobicContact CG2-CD1 4.38Å; I306-L323 HydrophobicContact CD1-CB 4.34Å; L323-M330 HydrophobicContact CD1-CE 3.87Å; L323-M330 HydrophobicContact CD1-CG 3.94Å; L323-M330 HydrophobicContact CD1-SD 3.55Å; L323-M330 VanDerWaalsContact CD1-SD 3.55Å; L323-M330 HydrophobicContact CD2-CE 4.2Å; L323-M330 HydrophobicContact CD2-CG 3.84Å; L323-M330 HydrophobicContact CD2-SD 4.36Å; L323-M330 HydrophobicContact CG-CE 4.41Å; L323-M330 HydrophobicContact CG-CG 3.67Å; L323-M330 HydrophobicContact CG-SD 4Å; L323-I332 HydrophobicContact CB-CD1 3.88Å; L323-I332 HydrophobicContact CD1-CD1 4.16Å; L323-I332 HydrophobicContact CG-CD1 3.88Å
324	K	98.5	Very high	96.4	Very high	49 Å²	49	58.8 Å²	58.8	21%	0.213	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.2	173.7	-62.9	-167.4	62.9	156.5	0	109.5	T87 G106 N331 R333	T87-K324 HydrophobicContact CG2-CG 4.21Å; G106-K324 WeakPolarHBondContact O-CE 3.4Å; G106-K324 PolarHBondContact O-NZ 2.6Å; K324-N331 HydrophobicContact CB-CB 4.49Å; K324-N331 PolarHBondContact N-O 3.05Å; K324-N331 PolarHBondContact O-N 3.25Å; K324-R333 HydrophobicContact CD-CG 3.91Å; K324-R333 HydrophobicContact CG-CG 4.23Å
325	Y	98.2	Very high	96.7	Very high	12 Å²	12	54.9 Å²	54.9	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.3	175.7	-173.8	-110	0	0	0	109.9	A84 P85 V86 M192 N193 Q195 F196 N328 V329 M330	A84-Y325 HydrophobicContact CB-CD1 3.62Å; A84-Y325 HydrophobicContact CB-CE1 3.74Å; P85-Y325 CarbonylContact C-O 3.57Å; P85-Y325 WeakPolarHBondContact CA-O 3.45Å; V86-Y325 PolarHBondContact N-O 2.88Å; V86-Y325 PolarHBondContact O-N 3.12Å; M192-Y325 HydrophobicContact CE-CD1 4.13Å; M192-Y325 HydrophobicContact CE-CG 4.24Å; M192-Y325 HydrophobicContact SD-CD1 3.81Å; M192-Y325 HydrophobicContact SD-CE1 4.33Å; M192-Y325 HydrophobicContact SD-CG 4.49Å; N193-Y325 HydrophobicContact CB-CE1 4.11Å; Q195-Y325 PolarHBondContact OE1-OH 3.24Å; Q195-Y325 VanDerWaalsContact OE1-OH 3.06Å; F196-Y325 HydrophobicContact CE2-CE1 4.24Å; F196-Y325 HydrophobicContact CE2-CE2 4.2Å; F196-Y325 HydrophobicContact CZ-CE2 4.32Å; Y325-N328 PolarHBondContact OH-OD1 3.41Å; Y325-V329 WeakPolarHBondContact CA-O 3.46Å; Y325-M330 HydrophobicContact CD2-CB 4.18Å
326	E	95.4	Very high	97.1	Very high	96 Å²	96	56.6 Å²	56.6	45%	0.449	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	142.2	-176.7	178.8	172.8	-162.5	0	0	109.4	P85 N328 V329	P85-E326 HydrophobicContact CB-CB 3.87Å; P85-E326 HydrophobicContact CB-CG 3.91Å; E326-N328 VanDerWaalsContact C-N 3.25Å; E326-N328 PolarHBondContact O-N 2.99Å; E326-V329 PolarHBondContact N-O 2.86Å; E326-V329 VanDerWaalsContact N-O 3.09Å; E326-V329 PolarHBondContact O-N 2.91Å
327	N	93.8	Very high	97.4	Very high	140 Å²	140	59.4 Å²	59.4	75%	0.749	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.3	179.2	-58.9	-36.5	0	0	0	113.8	V329	N327-V329 PolarHBondContact O-N 3.19Å; N327-V329 VanDerWaalsContact O-N 3.12Å
328	N	91.5	Very high	97.6	Very high	130 Å²	130	54.5 Å²	54.5	70%	0.695	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	15.9	-173.8	-63.2	-21.6	0	0	0	114.9	Y325 E326	Y325-N328 PolarHBondContact OH-OD1 3.41Å; E326-N328 VanDerWaalsContact C-N 3.25Å; E326-N328 PolarHBondContact O-N 2.99Å
329	V	95.6	Very high	97.6	Very high	91 Å²	91	60.1 Å²	60.1	55%	0.552	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.1	176.2	179.5	0	0	0	0	109.1	Y325 E326 N327	Y325-V329 WeakPolarHBondContact CA-O 3.46Å; E326-V329 PolarHBondContact N-O 2.86Å; E326-V329 VanDerWaalsContact N-O 3.09Å; E326-V329 PolarHBondContact O-N 2.91Å; N327-V329 PolarHBondContact O-N 3.19Å; N327-V329 VanDerWaalsContact O-N 3.12Å
330	M	96.3	Very high	97.5	Very high	35 Å²	35	59.5 Å²	59.5	17%	0.172	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113	171.1	-173.4	177.4	-73.8	0	0	109.1	F196 I279 F300 I304 L323 Y325	F196-M330 HydrophobicContact CD1-CE 4.43Å; F196-M330 HydrophobicContact CE1-CE 3.7Å; F196-M330 HydrophobicContact CZ-CE 3.79Å; I279-M330 HydrophobicContact CD1-CE 4.17Å; F300-M330 HydrophobicContact CE1-CE 4.19Å; F300-M330 HydrophobicContact CZ-CE 3.65Å; F300-M330 HydrophobicContact CZ-SD 3.86Å; I304-M330 HydrophobicContact CD1-CE 3.89Å; I304-M330 HydrophobicContact CD1-SD 3.35Å; I304-M330 WeakPolarHBondContact CD1-SD 3.39Å; L323-M330 HydrophobicContact CD1-CE 3.87Å; L323-M330 HydrophobicContact CD1-CG 3.94Å; L323-M330 HydrophobicContact CD1-SD 3.55Å; L323-M330 VanDerWaalsContact CD1-SD 3.55Å; L323-M330 HydrophobicContact CD2-CE 4.2Å; L323-M330 HydrophobicContact CD2-CG 3.84Å; L323-M330 HydrophobicContact CD2-SD 4.36Å; L323-M330 HydrophobicContact CG-CE 4.41Å; L323-M330 HydrophobicContact CG-CG 3.67Å; L323-M330 HydrophobicContact CG-SD 4Å; Y325-M330 HydrophobicContact CD2-CB 4.18Å
331	N	97.4	Very high	97.5	Very high	67 Å²	67	61 Å²	61	36%	0.358	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.9	-179.8	-172.9	6.3	0	0	0	110.2	K324	K324-N331 HydrophobicContact CB-CB 4.49Å; K324-N331 PolarHBondContact N-O 3.05Å; K324-N331 PolarHBondContact O-N 3.25Å
332	I	98.4	Very high	97.4	Very high	28 Å²	28	69.4 Å²	69.4	14%	0.144	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121	174.7	-54.5	-59.3	0	0	0	108.9	Y289 M291 A321 L323 Q334	Y289-I332 HydrophobicContact CD1-CG2 3.58Å; Y289-I332 HydrophobicContact CD2-CG1 4.12Å; Y289-I332 HydrophobicContact CD2-CG2 4.26Å; Y289-I332 HydrophobicContact CE1-CG2 3.91Å; Y289-I332 HydrophobicContact CE2-CG1 4.23Å; Y289-I332 HydrophobicContact CG-CG1 4.45Å; Y289-I332 HydrophobicContact CG-CG2 3.77Å; M291-I332 HydrophobicContact CE-CD1 4.25Å; M291-I332 HydrophobicContact CE-CG1 3.8Å; A321-I332 HydrophobicContact CB-CG2 3.69Å; L323-I332 HydrophobicContact CB-CD1 3.88Å; L323-I332 HydrophobicContact CD1-CD1 4.16Å; L323-I332 HydrophobicContact CG-CD1 3.88Å; I332-Q334 HydrophobicContact CG2-CG 4.45Å
333	R	98.6	Very high	97.1	Very high	123 Å²	123	72.2 Å²	72.2	46%	0.464	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107.3	176.5	-65.1	-62.9	-139.9	-177.8	3.7	109.4	V105 A321 V322 K324	V105-R333 HydrophobicContact CG1-CB 3.66Å; V105-R333 HydrophobicContact CG1-CG 4.47Å; A321-R333 CarbonylContact C-O 3.6Å; A321-R333 VanDerWaalsContact CA-O 3.24Å; A321-R333 WeakPolarHBondContact CA-O 3.48Å; V322-R333 HydrophobicContact CG2-CB 3.92Å; V322-R333 PolarHBondContact N-O 2.69Å; V322-R333 PolarHBondContact O-N 3.45Å; K324-R333 HydrophobicContact CD-CG 3.91Å; K324-R333 HydrophobicContact CG-CG 4.23Å
334	Q	98.8	Very high	96.5	Very high	89 Å²	89	73.2 Å²	73.2	42%	0.416	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	151.6	176	-63.1	176.1	-75.9	0	0	111.8	A287 Y289 A320 A321 I332	A287-Q334 PolarHBondContact O-NE2 2.77Å; Y289-Q334 HydrophobicContact CD1-CG 4.48Å; Y289-Q334 HydrophobicContact CE1-CG 4.39Å; A320-Q334 CarbonylContact O-C 3.09Å; A320-Q334 WeakPolarHBondContact O-CA 3.4Å; A321-Q334 HydrophobicContact CB-CG 4.07Å; I332-Q334 HydrophobicContact CG2-CG 4.45Å
335	F	98.8	Very high	95.7	Very high	11 Å²	11	74.6 Å²	74.6	5%	0.048	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.7	172.2	62.9	-81.6	0	0	0	111.4	K101 L102 V105 S308 P310 A320 V322	K101-F335 HydrophobicContact CB-CD2 4.36Å; K101-F335 HydrophobicContact CG-CB 4.44Å; K101-F335 HydrophobicContact CG-CD2 3.92Å; K101-F335 HydrophobicContact CG-CG 4.47Å; L102-F335 HydrophobicContact CB-CE1 4.45Å; L102-F335 HydrophobicContact CB-CE2 4.42Å; L102-F335 HydrophobicContact CB-CZ 3.92Å; L102-F335 HydrophobicContact CD1-CZ 4.31Å; L102-F335 HydrophobicContact CG-CZ 4.31Å; V105-F335 HydrophobicContact CG1-CD1 4.5Å; V105-F335 HydrophobicContact CG2-CB 4.02Å; V105-F335 HydrophobicContact CG2-CG 4.44Å; S308-F335 WeakPolarHBondContact O-CZ 3.36Å; P310-F335 HydrophobicContact CG-CD2 4.22Å; P310-F335 HydrophobicContact CG-CE2 3.9Å; A320-F335 HydrophobicContact CB-CD1 4.07Å; A320-F335 HydrophobicContact CB-CD2 4.09Å; A320-F335 HydrophobicContact CB-CE1 3.58Å; A320-F335 HydrophobicContact CB-CE2 3.63Å; A320-F335 HydrophobicContact CB-CG 4.3Å; A320-F335 HydrophobicContact CB-CZ 3.34Å; A320-F335 PolarHBondContact N-O 3.11Å; A320-F335 PolarHBondContact O-N 3.48Å; V322-F335 HydrophobicContact CG1-CE1 4.22Å
336	N	98.6	Very high	94.9	Very high	96 Å²	96	77.9 Å²	77.9	51%	0.513	40%	0.403	S	S	.	.			trans	-100.5	171.7	178.7	-57	-34.1	0	0	0	110.5	K319	K319-N336 PolarHBondContact NZ-OD1 3.39Å
337	C	98.3	Very high	94.4	Very high	61 Å²	61	73.7 Å²	73.7	41%	0.412	38%	0.384	S	S	.	.			trans	-67.8	157.9	178.8	64.2	0	0	0	0	113.3	D98 P310 N311	D98-C337 VanDerWaalsContact OD1-CA 3.29Å; D98-C337 WeakPolarHBondContact OD1-CA 3.33Å; P310-C337 HydrophobicContact CB-CB 4.04Å; P310-C337 HydrophobicContact CG-CB 3.97Å; N311-C337 HydrophobicContact CB-CB 3.63Å
338	S	98.4	Very high	94	Very high	29 Å²	29	70.6 Å²	70.6	20%	0.203	37%	0.365	C	S	.	.			trans	-115	147.5	176.9	-53.4	0	0	0	0	109.6	D98 H340	D98-S338 WeakPolarHBondContact OD1-CB 3.4Å; D98-S338 PolarHBondContact OD1-N 3.32Å; D98-S338 PolarHBondContact OD1-OG 3.15Å; S338-H340 PolarHBondContact O-N 3.31Å
339	P	98.3	Very high	93.9	Very high	124 Å²	124	68 Å²	68	81%	0.805	35%	0.352	S	S	*	.			trans	-58.5	140.9	173	-22.5	33.2	0	0	0	111.5
340	H	98.4	Very high	93.6	Very high	69 Å²	69	68 Å²	68	32%	0.319	35%	0.352	S	S	.	.			trans	-132.9	159.1	171.6	61.4	83.9	0	0	0	110.8	F97 F126 D314 S338	F97-H340 HydrophobicContact CB-CB 4.14Å; F97-H340 HydrophobicContact CD2-CB 3.46Å; F97-H340 VanDerWaalsContact CD2-CB 3.46Å; F97-H340 HydrophobicContact CE2-CB 4.04Å; F97-H340 HydrophobicContact CG-CB 3.8Å; F126-H340 HydrophobicContact CE2-CB 3.94Å; F126-H340 AromaticContact CE2-ND1 3.87Å; F126-H340 HydrophobicContact CZ-CB 4.48Å; D314-H340 IonicContact OD1-CE1 3.64Å; D314-H340 IonicContact OD1-NE2 3.28Å; D314-H340 PolarHBondContact OD1-NE2 3.35Å; D314-H340 IonicContact OD2-CE1 3.84Å; D314-H340 PolarHBondContact OD2-CE1 3.48Å; D314-H340 VanDerWaalsContact OD2-CE1 3.32Å; D314-H340 IonicContact OD2-NE2 3.59Å; D314-H340 PolarHBondContact OD2-NE2 2.7Å; S338-H340 PolarHBondContact O-N 3.31Å
341	P	98.3	Very high	93.3	Very high	32 Å²	32	73.9 Å²	73.9	21%	0.208	38%	0.376	C	S	.	.			trans	-60.3	148.1	172.1	-23	34.5	0	0	0	112.2	E54 F97 F126	E54-P341 HydrophobicContact CG-CB 4.18Å; E54-P341 HydrophobicContact CG-CG 3.62Å; E54-P341 WeakPolarHBondContact OE1-CB 3.41Å; E54-P341 WeakPolarHBondContact OE2-CB 3.09Å; E54-P341 WeakPolarHBondContact OE2-CG 3.44Å; F97-P341 HydrophobicContact CE1-CG 4.41Å; F97-P341 HydrophobicContact CE2-CG 4.13Å; F97-P341 HydrophobicContact CZ-CG 3.71Å; F126-P341 HydrophobicContact CE1-CB 4.49Å; F126-P341 HydrophobicContact CE1-CG 4.43Å; F126-P341 HydrophobicContact CZ-CB 4Å; F126-P341 HydrophobicContact CZ-CG 4.16Å; F126-P341 WeakPolarHBondContact CZ-O 3.4Å
342	Y	96.4	Very high	92.5	Very high	175 Å²	175	74.5 Å²	74.5	69%	0.686	38%	0.383	S	S	*	.			trans	-86.2	137.5	179.3	179.8	-100.3	0	0	0	111.2	L344	Y342-L344 HydrophobicContact CE1-CD2 4.05Å; Y342-L344 HydrophobicContact CE1-CG 4.16Å
343	W	93.1	Very high	91.7	Very high	60 Å²	60	80.7 Å²	80.7	23%	0.227	40%	0.404	C	S	.	.			trans	-125.7	140.5	168.9	-82.6	91.2	0	0	0	109.2	Y125 F126 F347	Y125-W343 HydrophobicContact CD2-CB 3.47Å; Y125-W343 VanDerWaalsContact CD2-CB 3.47Å; Y125-W343 HydrophobicContact CD2-CG 4.43Å; Y125-W343 HydrophobicContact CE2-CB 4.06Å; Y125-W343 HydrophobicContact CG-CB 4.16Å; F126-W343 AromaticContact CE1-NE1 3.85Å; F126-W343 AromaticContact CZ-CD1 3.81Å; W343-F347 AromaticContact CD2-CD1 3.87Å; W343-F347 HydrophobicContact CD2-CD1 3.87Å; W343-F347 HydrophobicContact CD2-CE1 4.37Å; W343-F347 HydrophobicContact CE3-CB 4.24Å; W343-F347 AromaticContact CE3-CD1 3.68Å; W343-F347 HydrophobicContact CE3-CD1 3.68Å; W343-F347 HydrophobicContact CE3-CG 4.43Å; W343-F347 HydrophobicContact CG-CD1 4.35Å; W343-F347 HydrophobicContact CZ3-CB 4.35Å; W343-F347 HydrophobicContact CZ3-CD1 4.09Å
344	L	85.1	Confident	90.8	Very high	20 Å²	20	76.8 Å²	76.8	11%	0.105	40%	0.396	C	S	.	.			trans	-65.9	152.6	169.2	-78.4	168.5	0	0	0	110.1	Y342 N346 F347 M348 V350 W353	Y342-L344 HydrophobicContact CE1-CD2 4.05Å; Y342-L344 HydrophobicContact CE1-CG 4.16Å; L344-N346 PolarHBondContact O-N 3.33Å; L344-F347 PolarHBondContact O-N 3.32Å; L344-M348 HydrophobicContact CB-CB 4.28Å; L344-M348 WeakPolarHBondContact CB-O 3.33Å; L344-M348 WeakPolarHBondContact CD1-O 3.36Å; L344-V350 HydrophobicContact CD1-CG1 4.2Å; L344-W353 HydrophobicContact CD1-CB 3.9Å; L344-W353 HydrophobicContact CD1-CD2 4.17Å; L344-W353 HydrophobicContact CD1-CE3 4.29Å; L344-W353 HydrophobicContact CD1-CG 4.01Å; L344-W353 HydrophobicContact CD2-CD2 4.18Å; L344-W353 HydrophobicContact CD2-CG 4.3Å
345	P	82.6	Confident	89.8	Confident	79 Å²	79	78.2 Å²	78.2	51%	0.513	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-49.8	134.8	178.3	-29.4	36	0	0	0	113	Y125 F347 M348	Y125-P345 WeakPolarHBondContact OH-CA 3.14Å; P345-F347 PolarHBondContact O-N 2.81Å; P345-M348 WeakPolarHBondContact O-CB 3.43Å; P345-M348 PolarHBondContact O-N 2.63Å
346	N	80.9	Confident	88.7	Confident	81 Å²	81	81.7 Å²	81.7	43%	0.433	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	57.5	29.7	-179.8	-159	32	0	0	0	114.5	Q165 L344 M348	Q165-N346 WeakPolarHBondContact CG-OD1 3.45Å; L344-N346 PolarHBondContact O-N 3.33Å; N346-M348 PolarHBondContact O-N 3.01Å
347	F	86.1	Confident	87.6	Confident	7 Å²	7	83 Å²	83	3%	0.031	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	58.3	29.2	179.6	-53.2	-87.2	0	0	0	114.2	Y125 Q165 E166 I169 W343 L344 P345	Y125-F347 HydrophobicContact CD1-CE1 4.21Å; Y125-F347 AromaticContact CD1-CE2 3.99Å; Y125-F347 HydrophobicContact CD1-CE2 3.99Å; Y125-F347 AromaticContact CD1-CZ 3.65Å; Y125-F347 HydrophobicContact CD1-CZ 3.65Å; Y125-F347 HydrophobicContact CG-CE1 4.12Å; Y125-F347 HydrophobicContact CG-CZ 4.01Å; Q165-F347 HydrophobicContact CG-CD2 4.29Å; E166-F347 HydrophobicContact CB-CD2 4.36Å; E166-F347 HydrophobicContact CB-CE1 4.35Å; E166-F347 HydrophobicContact CB-CE2 3.46Å; E166-F347 VanDerWaalsContact CB-CE2 3.46Å; E166-F347 HydrophobicContact CB-CZ 3.46Å; E166-F347 VanDerWaalsContact CB-CZ 3.46Å; E166-F347 HydrophobicContact CG-CE1 3.95Å; E166-F347 HydrophobicContact CG-CE2 3.97Å; E166-F347 HydrophobicContact CG-CZ 3.41Å; E166-F347 VanDerWaalsContact CG-CZ 3.41Å; I169-F347 HydrophobicContact CB-CB 4.29Å; I169-F347 HydrophobicContact CG1-CB 3.97Å; I169-F347 HydrophobicContact CG2-CB 4.06Å; W343-F347 AromaticContact CD2-CD1 3.87Å; W343-F347 HydrophobicContact CD2-CD1 3.87Å; W343-F347 HydrophobicContact CD2-CE1 4.37Å; W343-F347 HydrophobicContact CE3-CB 4.24Å; W343-F347 AromaticContact CE3-CD1 3.68Å; W343-F347 HydrophobicContact CE3-CD1 3.68Å; W343-F347 HydrophobicContact CE3-CG 4.43Å; W343-F347 HydrophobicContact CG-CD1 4.35Å; W343-F347 HydrophobicContact CZ3-CB 4.35Å; W343-F347 HydrophobicContact CZ3-CD1 4.09Å; L344-F347 PolarHBondContact O-N 3.32Å; P345-F347 PolarHBondContact O-N 2.81Å
348	M	84.4	Confident	86.8	Confident	75 Å²	75	83.4 Å²	83.4	37%	0.369	43%	0.431	S	S	.	.			trans	-63.5	136.6	-179.8	-166.8	179.3	-55	0	0	111.2	L344 P345 N346 T352 W353	L344-M348 HydrophobicContact CB-CB 4.28Å; L344-M348 WeakPolarHBondContact CB-O 3.33Å; L344-M348 WeakPolarHBondContact CD1-O 3.36Å; P345-M348 WeakPolarHBondContact O-CB 3.43Å; P345-M348 PolarHBondContact O-N 2.63Å; N346-M348 PolarHBondContact O-N 3.01Å; M348-T352 HydrophobicContact CG-CG2 3.69Å; M348-T352 HydrophobicContact SD-CG2 3.83Å; M348-W353 HydrophobicContact CG-CB 4.31Å; M348-W353 VanDerWaalsContact SD-CA 3.59Å; M348-W353 HydrophobicContact SD-CB 3.76Å
349	D	90.1	Very high	85.6	Confident	77 Å²	77	83.6 Å²	83.6	41%	0.412	44%	0.438	S	S	.	.			trans	-77.2	157	172.1	73.6	89.2	0	0	0	111.3	F351 T352 W353	D349-F351 PolarHBondContact O-N 3.36Å; D349-F351 WeakPolarHBondContact OD1-CA 3.21Å; D349-F351 WeakPolarHBondContact OD1-CB 3.46Å; D349-F351 PolarHBondContact OD1-N 2.98Å; D349-T352 PolarHBondContact O-N 2.92Å; D349-T352 PolarHBondContact OD1-N 2.9Å; D349-T352 WeakPolarHBondContact OD2-CB 3.4Å; D349-T352 PolarHBondContact OD2-OG1 3.4Å; D349-W353 PolarHBondContact O-N 3.25Å
350	V	89.2	Confident	84.3	Confident	90 Å²	90	79.6 Å²	79.6	55%	0.545	41%	0.409	S	S	.	.	H	α-helix	trans	-64.7	-22.6	-175.3	-64.2	0	0	0	0	113.7	L344 S354	L344-V350 HydrophobicContact CD1-CG1 4.2Å; V350-S354 VanDerWaalsContact O-CB 3.24Å; V350-S354 WeakPolarHBondContact O-CB 3.49Å; V350-S354 PolarHBondContact O-N 3.32Å; V350-S354 PolarHBondContact O-OG 3.32Å
351	F	88.6	Confident	83.3	Confident	158 Å²	158	79.9 Å²	79.9	69%	0.693	41%	0.409	S	S	*	.	H	α-helix	trans	-74.7	-50.2	174.7	-60.3	-73.7	0	0	0	110	D349 W353 S354 L355	D349-F351 PolarHBondContact O-N 3.36Å; D349-F351 WeakPolarHBondContact OD1-CA 3.21Å; D349-F351 WeakPolarHBondContact OD1-CB 3.46Å; D349-F351 PolarHBondContact OD1-N 2.98Å; F351-W353 PolarHBondContact O-N 2.85Å; F351-S354 PolarHBondContact O-N 2.83Å; F351-L355 WeakPolarHBondContact O-CB 3.47Å; F351-L355 PolarHBondContact O-N 3.13Å
352	T	80.6	Confident	82.6	Confident	80 Å²	80	81.9 Å²	81.9	49%	0.491	42%	0.421	S	S	.	.	H	α-helix	trans	-55.8	-39.3	176.4	-60.4	0	0	0	0	111.4	M348 D349 P356	M348-T352 HydrophobicContact CG-CG2 3.69Å; M348-T352 HydrophobicContact SD-CG2 3.83Å; D349-T352 PolarHBondContact O-N 2.92Å; D349-T352 PolarHBondContact OD1-N 2.9Å; D349-T352 WeakPolarHBondContact OD2-CB 3.4Å; D349-T352 PolarHBondContact OD2-OG1 3.4Å; T352-P356 VanDerWaalsContact O-CD 3.31Å; T352-P356 WeakPolarHBondContact O-CD 3.33Å
353	W	81.8	Confident	81.6	Confident	158 Å²	158	75.5 Å²	75.5	60%	0.598	40%	0.4	S	S	*	.	H	α-helix	trans	-69.5	-47.1	177.7	177.9	62.1	0	0	0	113.7	L344 M348 D349 F351	L344-W353 HydrophobicContact CD1-CB 3.9Å; L344-W353 HydrophobicContact CD1-CD2 4.17Å; L344-W353 HydrophobicContact CD1-CE3 4.29Å; L344-W353 HydrophobicContact CD1-CG 4.01Å; L344-W353 HydrophobicContact CD2-CD2 4.18Å; L344-W353 HydrophobicContact CD2-CG 4.3Å; M348-W353 HydrophobicContact CG-CB 4.31Å; M348-W353 VanDerWaalsContact SD-CA 3.59Å; M348-W353 HydrophobicContact SD-CB 3.76Å; D349-W353 PolarHBondContact O-N 3.25Å; F351-W353 PolarHBondContact O-N 2.85Å
354	S	80.4	Confident	80.7	Confident	41 Å²	41	75 Å²	75	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-88.7	-26.2	-171.2	64.2	0	0	0	0	114.7	V350 F351 P356 F357 V358	V350-S354 VanDerWaalsContact O-CB 3.24Å; V350-S354 WeakPolarHBondContact O-CB 3.49Å; V350-S354 PolarHBondContact O-N 3.32Å; V350-S354 PolarHBondContact O-OG 3.32Å; F351-S354 PolarHBondContact O-N 2.83Å; S354-P356 VanDerWaalsContact C-CD 3.5Å; S354-F357 WeakPolarHBondContact O-CB 3.38Å; S354-F357 PolarHBondContact O-N 3.29Å; S354-V358 WeakPolarHBondContact O-CG2 3.21Å; S354-V358 PolarHBondContact O-N 3.03Å
355	L	77.6	Confident	80.3	Confident	119 Å²	119	79.9 Å²	79.9	62%	0.623	42%	0.424	S	S	*	.	H	α-helix	trans	-60.3	-38.5	-173.4	-169.1	65.4	0	0	0	113.7	F351 F357 V358 G359	F351-L355 WeakPolarHBondContact O-CB 3.47Å; F351-L355 PolarHBondContact O-N 3.13Å; L355-F357 VanDerWaalsContact C-N 3.32Å; L355-F357 PolarHBondContact O-N 3.01Å; L355-V358 PolarHBondContact O-N 2.92Å; L355-G359 PolarHBondContact O-N 3.46Å
356	P	75.4	Confident	80.1	Confident	85 Å²	85	80.7 Å²	80.7	55%	0.552	42%	0.423	S	S	*	.	H	α-helix	trans	-58	-44.2	172.5	-25.2	35.5	0	0	0	112.5	T352 S354 G359 E360	T352-P356 VanDerWaalsContact O-CD 3.31Å; T352-P356 WeakPolarHBondContact O-CD 3.33Å; S354-P356 VanDerWaalsContact C-CD 3.5Å; P356-G359 PolarHBondContact O-N 2.9Å; P356-E360 WeakPolarHBondContact O-CB 3.34Å; P356-E360 PolarHBondContact O-N 2.8Å
357	F	76.1	Confident	79.7	Confident	122 Å²	122	78.8 Å²	78.8	54%	0.535	41%	0.414	S	S	.	.	H	α-helix	trans	-67.8	-42.9	178.9	179.3	-96.7	0	0	0	111.9	S354 L355 G359 E360 K361	S354-F357 WeakPolarHBondContact O-CB 3.38Å; S354-F357 PolarHBondContact O-N 3.29Å; L355-F357 VanDerWaalsContact C-N 3.32Å; L355-F357 PolarHBondContact O-N 3.01Å; F357-G359 VanDerWaalsContact C-N 3.33Å; F357-G359 PolarHBondContact O-N 3.24Å; F357-E360 WeakPolarHBondContact O-CB 3.37Å; F357-E360 PolarHBondContact O-N 3.41Å; F357-K361 HydrophobicContact CD1-CG 4.14Å; F357-K361 HydrophobicContact CD2-CG 4.28Å; F357-K361 HydrophobicContact CE1-CG 3.69Å; F357-K361 HydrophobicContact CE2-CD 4.21Å; F357-K361 VanDerWaalsContact CE2-CE 3.44Å; F357-K361 HydrophobicContact CE2-CG 3.86Å; F357-K361 HydrophobicContact CG-CG 4.42Å; F357-K361 HydrophobicContact CZ-CD 4.2Å; F357-K361 HydrophobicContact CZ-CG 3.55Å; F357-K361 WeakPolarHBondContact O-CG 3.19Å; F357-K361 PolarHBondContact O-N 3.43Å
358	V	81	Confident	79.1	Confident	70 Å²	70	82.2 Å²	82.2	42%	0.424	43%	0.433	S	S	.	.	H	α-helix	trans	-59.7	-46.3	175.2	173.1	0	0	0	0	110.5	S354 L355 E360 K361 V362	S354-V358 WeakPolarHBondContact O-CG2 3.21Å; S354-V358 PolarHBondContact O-N 3.03Å; L355-V358 PolarHBondContact O-N 2.92Å; V358-E360 VanDerWaalsContact C-N 3.34Å; V358-E360 PolarHBondContact O-N 3.35Å; V358-K361 PolarHBondContact O-N 3.01Å; V358-V362 HydrophobicContact CG1-CG2 4.22Å; V358-V362 WeakPolarHBondContact O-CB 3.13Å; V358-V362 VanDerWaalsContact O-CG2 3.31Å; V358-V362 WeakPolarHBondContact O-CG2 3.22Å; V358-V362 PolarHBondContact O-N 3.4Å
359	G	72.4	Confident	78.6	Confident	33 Å²	33	82.5 Å²	82.5	34%	0.34	44%	0.439	S	S	.	.	H	α-helix	trans	-58.9	-44.6	176.2	0	0	0	0	0	112.3	L355 P356 F357 T363	L355-G359 PolarHBondContact O-N 3.46Å; P356-G359 PolarHBondContact O-N 2.9Å; F357-G359 VanDerWaalsContact C-N 3.33Å; F357-G359 PolarHBondContact O-N 3.24Å; G359-T363 VanDerWaalsContact O-CB 3.25Å; G359-T363 WeakPolarHBondContact O-CB 3.37Å; G359-T363 PolarHBondContact O-N 3.4Å; G359-T363 VanDerWaalsContact O-N 3.07Å; G359-T363 PolarHBondContact O-OG1 3.38Å
360	E	72.8	Confident	77.5	Confident	41 Å²	41	83.6 Å²	83.6	19%	0.192	44%	0.444	C	S	.	.	H	α-helix	trans	-59	-52.8	175	-172.5	-159.5	136.1	0	0	111.4	P356 F357 V358 T363 E364	P356-E360 WeakPolarHBondContact O-CB 3.34Å; P356-E360 PolarHBondContact O-N 2.8Å; F357-E360 WeakPolarHBondContact O-CB 3.37Å; F357-E360 PolarHBondContact O-N 3.41Å; V358-E360 VanDerWaalsContact C-N 3.34Å; V358-E360 PolarHBondContact O-N 3.35Å; E360-T363 PolarHBondContact O-N 3.46Å; E360-E364 WeakPolarHBondContact O-CB 3.26Å; E360-E364 PolarHBondContact O-N 3.38Å
361	K	76.9	Confident	76.4	Confident	74 Å²	74	83.3 Å²	83.3	32%	0.322	45%	0.446	S	S	.	.	H	α-helix	trans	-71.4	-36.4	-173.6	-65.7	-42.4	-176.3	-162.7	0	114.1	F357 V358 T363 E364 M365	F357-K361 HydrophobicContact CD1-CG 4.14Å; F357-K361 HydrophobicContact CD2-CG 4.28Å; F357-K361 HydrophobicContact CE1-CG 3.69Å; F357-K361 HydrophobicContact CE2-CD 4.21Å; F357-K361 VanDerWaalsContact CE2-CE 3.44Å; F357-K361 HydrophobicContact CE2-CG 3.86Å; F357-K361 HydrophobicContact CG-CG 4.42Å; F357-K361 HydrophobicContact CZ-CD 4.2Å; F357-K361 HydrophobicContact CZ-CG 3.55Å; F357-K361 WeakPolarHBondContact O-CG 3.19Å; F357-K361 PolarHBondContact O-N 3.43Å; V358-K361 PolarHBondContact O-N 3.01Å; K361-T363 VanDerWaalsContact C-N 3.34Å; K361-E364 VanDerWaalsContact CD-OE2 3.3Å; K361-E364 WeakPolarHBondContact CD-OE2 3.34Å; K361-E364 IonicContact NZ-OE2 2.87Å; K361-E364 PolarHBondContact NZ-OE2 2.91Å; K361-E364 PolarHBondContact O-N 2.87Å; K361-M365 WeakPolarHBondContact O-CB 3.2Å; K361-M365 PolarHBondContact O-N 3.14Å
362	V	83.4	Confident	75.2	Confident	75 Å²	75	82.3 Å²	82.3	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-66.1	-41.9	172.7	173.9	0	0	0	0	110	V358 M365 L366	V358-V362 HydrophobicContact CG1-CG2 4.22Å; V358-V362 WeakPolarHBondContact O-CB 3.13Å; V358-V362 VanDerWaalsContact O-CG2 3.31Å; V358-V362 WeakPolarHBondContact O-CG2 3.22Å; V358-V362 PolarHBondContact O-N 3.4Å; V362-M365 PolarHBondContact O-N 3.41Å; V362-L366 HydrophobicContact CG1-CD1 4.07Å; V362-L366 HydrophobicContact CG1-CG 4.39Å; V362-L366 VanDerWaalsContact O-CG 3.26Å; V362-L366 WeakPolarHBondContact O-CG 3.2Å; V362-L366 PolarHBondContact O-N 3.02Å
363	T	75	Confident	74	Confident	40 Å²	40	82.1 Å²	82.1	25%	0.245	45%	0.448	C	S	.	.	H	α-helix	trans	-64	-44.5	176.8	-57	0	0	0	0	111.2	G359 E360 K361 M365 L366 V367 F410	G359-T363 VanDerWaalsContact O-CB 3.25Å; G359-T363 WeakPolarHBondContact O-CB 3.37Å; G359-T363 PolarHBondContact O-N 3.4Å; G359-T363 VanDerWaalsContact O-N 3.07Å; G359-T363 PolarHBondContact O-OG1 3.38Å; E360-T363 PolarHBondContact O-N 3.46Å; K361-T363 VanDerWaalsContact C-N 3.34Å; T363-M365 PolarHBondContact O-N 2.67Å; T363-L366 PolarHBondContact O-N 3.1Å; T363-V367 HydrophobicContact CG2-CG2 4.38Å; T363-V367 WeakPolarHBondContact O-CB 3.31Å; T363-V367 VanDerWaalsContact O-CG2 3.29Å; T363-V367 WeakPolarHBondContact O-CG2 3.12Å; T363-V367 PolarHBondContact O-N 2.68Å; T363-F410 HydrophobicContact CG2-CB 4.47Å; T363-F410 HydrophobicContact CG2-CD1 4.24Å; T363-F410 HydrophobicContact CG2-CD2 3.62Å; T363-F410 HydrophobicContact CG2-CE1 4.4Å; T363-F410 HydrophobicContact CG2-CE2 3.85Å; T363-F410 HydrophobicContact CG2-CG 3.87Å; T363-F410 HydrophobicContact CG2-CZ 4.23Å
364	E	73.6	Confident	72.7	Confident	49 Å²	49	77.6 Å²	77.6	23%	0.229	44%	0.44	C	S	.	.	H	α-helix	trans	-57.4	-47.5	174.7	178.7	173.7	-165.3	0	0	111.4	E360 K361 L366 V367 N368 R414	E360-E364 WeakPolarHBondContact O-CB 3.26Å; E360-E364 PolarHBondContact O-N 3.38Å; K361-E364 VanDerWaalsContact CD-OE2 3.3Å; K361-E364 WeakPolarHBondContact CD-OE2 3.34Å; K361-E364 IonicContact NZ-OE2 2.87Å; K361-E364 PolarHBondContact NZ-OE2 2.91Å; K361-E364 PolarHBondContact O-N 2.87Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-V367 PolarHBondContact O-N 2.74Å; E364-N368 WeakPolarHBondContact O-CB 3.23Å; E364-N368 VanDerWaalsContact O-CG 3.22Å; E364-N368 PolarHBondContact O-N 2.91Å; E364-N368 PolarHBondContact O-ND2 3.35Å; E364-R414 WeakPolarHBondContact OE1-CD 3.18Å; E364-R414 IonicContact OE1-CZ 3.74Å; E364-R414 IonicContact OE1-NE 3.89Å; E364-R414 IonicContact OE1-NH1 2.79Å; E364-R414 PolarHBondContact OE1-NH1 3.41Å
365	M	78.4	Confident	71.2	Confident	124 Å²	124	81.9 Å²	81.9	61%	0.611	46%	0.46	S	S	*	.	H	α-helix	trans	-58.3	-48.4	176	178.5	-173.8	174.4	0	0	111.5	K361 V362 T363 V367 N368 V369	K361-M365 WeakPolarHBondContact O-CB 3.2Å; K361-M365 PolarHBondContact O-N 3.14Å; V362-M365 PolarHBondContact O-N 3.41Å; T363-M365 PolarHBondContact O-N 2.67Å; M365-V367 PolarHBondContact O-N 3.06Å; M365-N368 PolarHBondContact O-N 3.44Å; M365-V369 WeakPolarHBondContact O-CG2 3.29Å; M365-V369 PolarHBondContact O-N 2.76Å
366	L	77.8	Confident	69.8	Low	95 Å²	95	81.9 Å²	81.9	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-39.6	-179.5	-68.8	175.3	0	0	0	111.9	V362 T363 E364 N368 V369 L370	V362-L366 HydrophobicContact CG1-CD1 4.07Å; V362-L366 HydrophobicContact CG1-CG 4.39Å; V362-L366 VanDerWaalsContact O-CG 3.26Å; V362-L366 WeakPolarHBondContact O-CG 3.2Å; V362-L366 PolarHBondContact O-N 3.02Å; T363-L366 PolarHBondContact O-N 3.1Å; E364-L366 PolarHBondContact O-N 3.4Å; L366-N368 VanDerWaalsContact C-N 3.34Å; L366-V369 PolarHBondContact O-N 3.38Å; L366-L370 WeakPolarHBondContact O-CB 3.1Å; L366-L370 WeakPolarHBondContact O-CG 3.24Å; L366-L370 PolarHBondContact O-N 3.45Å
367	V	72.9	Confident	68.8	Low	41 Å²	41	83.8 Å²	83.8	25%	0.248	46%	0.462	C	S	.	.	H	α-helix	trans	-61.3	-44.8	174.1	169.1	0	0	0	0	110.5	T363 E364 M365 L370 S371 A407	T363-V367 HydrophobicContact CG2-CG2 4.38Å; T363-V367 WeakPolarHBondContact O-CB 3.31Å; T363-V367 VanDerWaalsContact O-CG2 3.29Å; T363-V367 WeakPolarHBondContact O-CG2 3.12Å; T363-V367 PolarHBondContact O-N 2.68Å; E364-V367 PolarHBondContact O-N 2.74Å; M365-V367 PolarHBondContact O-N 3.06Å; V367-L370 PolarHBondContact O-N 3.03Å; V367-S371 WeakPolarHBondContact O-CB 3.43Å; V367-S371 PolarHBondContact O-N 3.23Å; V367-S371 PolarHBondContact O-OG 3.25Å; V367-A407 HydrophobicContact CG1-CB 4.1Å; V367-A407 HydrophobicContact CG2-CB 3.99Å
368	N	72.9	Confident	67.5	Low	80 Å²	80	82.4 Å²	82.4	43%	0.428	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-42.9	177.9	-69.2	-23.8	0	0	0	111.9	E364 M365 L366 S371	E364-N368 WeakPolarHBondContact O-CB 3.23Å; E364-N368 VanDerWaalsContact O-CG 3.22Å; E364-N368 PolarHBondContact O-N 2.91Å; E364-N368 PolarHBondContact O-ND2 3.35Å; M365-N368 PolarHBondContact O-N 3.44Å; L366-N368 VanDerWaalsContact C-N 3.34Å; N368-S371 WeakPolarHBondContact CA-OG 3.33Å; N368-S371 PolarHBondContact O-N 2.86Å; N368-S371 PolarHBondContact O-OG 3.03Å
369	V	73.4	Confident	66	Low	81 Å²	81	83.4 Å²	83.4	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-44.7	175.6	171.4	0	0	0	0	111.2	M365 L366 S371 I372	M365-V369 WeakPolarHBondContact O-CG2 3.29Å; M365-V369 PolarHBondContact O-N 2.76Å; L366-V369 PolarHBondContact O-N 3.38Å; V369-S371 VanDerWaalsContact C-N 3.29Å; V369-S371 PolarHBondContact O-N 3.19Å; V369-I372 VanDerWaalsContact O-CB 3.3Å; V369-I372 WeakPolarHBondContact O-CB 3.39Å; V369-I372 WeakPolarHBondContact O-CG2 3.44Å; V369-I372 PolarHBondContact O-N 3.24Å
370	L	67.3	Low	64.8	Low	100 Å²	100	87.1 Å²	87.1	52%	0.524	48%	0.482	S	S	.	.	H	α-helix	trans	-70.5	-26.2	179.6	-69.6	172.2	0	0	0	112.8	L366 V367 I372 C373 I403	L366-L370 WeakPolarHBondContact O-CB 3.1Å; L366-L370 WeakPolarHBondContact O-CG 3.24Å; L366-L370 PolarHBondContact O-N 3.45Å; V367-L370 PolarHBondContact O-N 3.03Å; L370-I372 PolarHBondContact O-N 2.63Å; L370-C373 PolarHBondContact O-N 3.07Å; L370-I403 HydrophobicContact CD1-CD1 4.46Å
371	S	65.6	Low	63.7	Low	84 Å²	84	92.6 Å²	92.6	59%	0.587	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.4	174.6	74.2	0	0	0	0	113.7	V367 N368 V369 C373	V367-S371 WeakPolarHBondContact O-CB 3.43Å; V367-S371 PolarHBondContact O-N 3.23Å; V367-S371 PolarHBondContact O-OG 3.25Å; N368-S371 WeakPolarHBondContact CA-OG 3.33Å; N368-S371 PolarHBondContact O-N 2.86Å; N368-S371 PolarHBondContact O-OG 3.03Å; V369-S371 VanDerWaalsContact C-N 3.29Å; V369-S371 PolarHBondContact O-N 3.19Å; S371-C373 VanDerWaalsContact C-N 3.33Å
372	I	65	Low	62.4	Low	137 Å²	137	96.8 Å²	96.8	70%	0.703	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-26.4	176.1	-133.5	160.9	0	0	0	112.2	V369 L370 S374	V369-I372 VanDerWaalsContact O-CB 3.3Å; V369-I372 WeakPolarHBondContact O-CB 3.39Å; V369-I372 WeakPolarHBondContact O-CG2 3.44Å; V369-I372 PolarHBondContact O-N 3.24Å; L370-I372 PolarHBondContact O-N 2.63Å; I372-S374 PolarHBondContact O-N 3.25Å; I372-S374 VanDerWaalsContact O-N 3.09Å
373	C	54.9	Low	60.7	Low	76 Å²	76	102.7 Å²	102.7	51%	0.514	56%	0.556	S	S	.	*	S	Bend	trans	-77.8	92.7	170.5	-67.8	0	0	0	0	108.5	L370 S371 E377	L370-C373 PolarHBondContact O-N 3.07Å; S371-C373 VanDerWaalsContact C-N 3.33Å; C373-E377 PolarHBondContact SG-OE2 3.2Å
374	S	53.3	Low	59.5	Low	62 Å²	62	107.4 Å²	107.4	43%	0.434	58%	0.579	S	S	.	*			trans	-69	162.2	172.3	46.1	0	0	0	0	111	I372 D376 E377	I372-S374 PolarHBondContact O-N 3.25Å; I372-S374 VanDerWaalsContact O-N 3.09Å; S374-D376 PolarHBondContact O-N 3.49Å; S374-E377 PolarHBondContact O-N 2.94Å; S374-E377 VanDerWaalsContact O-N 3.15Å
375	N	50.4	Low	58.4	Low	131 Å²	131	112.4 Å²	112.4	70%	0.701	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-53	-16.5	175.3	-72.8	-35.5	0	0	0	113.6	L378 T379	N375-L378 PolarHBondContact O-N 3.2Å; N375-T379 PolarHBondContact O-OG1 2.85Å
376	D	48.3	Very low	57.4	Low	119 Å²	119	109.7 Å²	109.7	64%	0.636	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-67.8	-30.7	179.2	-69.4	-13.9	0	0	0	113.5	S374 L378 T379	S374-D376 PolarHBondContact O-N 3.49Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.36Å; D376-T379 WeakPolarHBondContact CA-OG1 3.31Å; D376-T379 PolarHBondContact O-N 3.34Å; D376-T379 PolarHBondContact O-OG1 3.09Å
377	E	53.6	Low	56.3	Low	125 Å²	125	108.8 Å²	108.8	58%	0.584	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-79	-13.4	174.8	-70.7	-174.6	160.5	0	0	113	C373 S374 T380	C373-E377 PolarHBondContact SG-OE2 3.2Å; S374-E377 PolarHBondContact O-N 2.94Å; S374-E377 VanDerWaalsContact O-N 3.15Å; E377-T380 PolarHBondContact O-OG1 2.95Å
378	L	49.1	Very low	55.3	Low	93 Å²	93	111.8 Å²	111.8	49%	0.487	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-89.3	-6.2	173.8	-74.8	165.2	0	0	0	112.8	N375 D376	N375-L378 PolarHBondContact O-N 3.2Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.36Å
379	T	49.4	Very low	54.4	Low	91 Å²	91	110 Å²	110	56%	0.558	63%	0.633	S	S	*	*			trans	-107.8	-0.9	-178.6	49.1	0	0	0	0	114.3	N375 D376 D381	N375-T379 PolarHBondContact O-OG1 2.85Å; D376-T379 WeakPolarHBondContact CA-OG1 3.31Å; D376-T379 PolarHBondContact O-N 3.34Å; D376-T379 PolarHBondContact O-OG1 3.09Å; T379-D381 VanDerWaalsContact C-N 3.29Å; T379-D381 PolarHBondContact O-N 3.41Å
380	T	47.7	Very low	53.5	Low	111 Å²	111	109.7 Å²	109.7	68%	0.681	63%	0.634	S	S	*	*			trans	-71.7	93.1	167	41.6	0	0	0	0	108.8	E377 E382	E377-T380 PolarHBondContact O-OG1 2.95Å; T380-E382 VanDerWaalsContact C-N 3.33Å; T380-E382 PolarHBondContact O-N 3.25Å
381	D	49	Very low	53	Low	156 Å²	156	107.7 Å²	107.7	83%	0.834	63%	0.632	S	S	*	*			trans	-59.4	90.1	168.8	-74.7	-37.3	0	0	0	109.6	T379	T379-D381 VanDerWaalsContact C-N 3.29Å; T379-D381 PolarHBondContact O-N 3.41Å
382	E	49.4	Very low	52.4	Low	163 Å²	163	112.5 Å²	112.5	76%	0.762	64%	0.637	S	S	*	*			trans	-95.7	114.5	152.3	-74.5	-167.9	172.4	0	0	108	T380 L384	T380-E382 VanDerWaalsContact C-N 3.33Å; T380-E382 PolarHBondContact O-N 3.25Å; E382-L384 PolarHBondContact O-N 2.92Å
383	E	48.7	Very low	52	Low	199 Å²	199	111.4 Å²	111.4	93%	0.93	63%	0.627	S	S	*	*			trans	-51.7	96.2	175.9	-67	178.5	146.9	0	0	111
384	L	49.3	Very low	52.1	Low	138 Å²	138	112.3 Å²	112.3	72%	0.723	62%	0.624	S	S	*	*			trans	-128.7	132.9	172.7	-74.1	168.2	0	0	0	110.9	E382	E382-L384 PolarHBondContact O-N 2.92Å
385	D	50.9	Low	52.3	Low	154 Å²	154	113 Å²	113	82%	0.824	63%	0.625	S	S	*	*			trans	-51	145	-162.5	-163.7	9.5	0	0	0	117.4	A387	D385-A387 PolarHBondContact O-N 3Å
386	G	56.3	Low	52.7	Low	68 Å²	68	110.9 Å²	110.9	70%	0.701	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	25.3	-138.7	0	0	0	0	0	119.7
387	A	54.5	Low	53.1	Low	75 Å²	75	110.5 Å²	110.5	62%	0.62	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	-43.9	173.8	0	0	0	0	0	113.4	D385	D385-A387 PolarHBondContact O-N 3Å
388	T	52.9	Low	53.3	Low	105 Å²	105	108.4 Å²	108.4	64%	0.644	60%	0.596	S	S	*	*	H	α-helix	trans	-74	-31.3	-179.6	-33	0	0	0	0	112.1	R392	T388-R392 PolarHBondContact O-N 3.39Å; T388-R392 VanDerWaalsContact O-N 3.14Å
389	A	53.8	Low	53.7	Low	42 Å²	42	110.4 Å²	110.4	35%	0.347	60%	0.6	S	S	.	*	H	α-helix	trans	-68.4	-39	176.9	0	0	0	0	0	112.2	R392 K393	A389-R392 PolarHBondContact O-N 2.84Å; A389-K393 VanDerWaalsContact O-CB 3.24Å; A389-K393 WeakPolarHBondContact O-CB 3.19Å; A389-K393 PolarHBondContact O-N 3.01Å
390	S	55.4	Low	54.1	Low	75 Å²	75	110.5 Å²	110.5	52%	0.524	60%	0.596	S	S	.	*	H	α-helix	trans	-65.2	-44.6	178.6	-171.3	0	0	0	0	112	K393 E394	S390-K393 PolarHBondContact O-N 2.93Å; S390-E394 WeakPolarHBondContact O-CB 3.4Å; S390-E394 PolarHBondContact O-N 3.26Å
391	A	55.6	Low	54.5	Low	58 Å²	58	112.9 Å²	112.9	48%	0.479	59%	0.593	S	S	.	*	H	α-helix	trans	-64.6	-40.8	175.7	0	0	0	0	0	112.5	E394 V395	A391-E394 PolarHBondContact O-N 2.8Å; A391-V395 VanDerWaalsContact O-CG2 3.31Å; A391-V395 WeakPolarHBondContact O-CG2 3.29Å; A391-V395 PolarHBondContact O-N 3.29Å
392	R	54	Low	54.9	Low	184 Å²	184	107.8 Å²	107.8	69%	0.694	57%	0.573	S	S	*	*	H	α-helix	trans	-63.7	-41.4	172.3	-86.5	-178.5	174.5	178.8	-1	112	T388 A389 E394 V395 I396	T388-R392 PolarHBondContact O-N 3.39Å; T388-R392 VanDerWaalsContact O-N 3.14Å; A389-R392 PolarHBondContact O-N 2.84Å; R392-E394 VanDerWaalsContact C-N 3.29Å; R392-E394 PolarHBondContact O-N 3.39Å; R392-V395 PolarHBondContact O-N 3.4Å; R392-I396 WeakPolarHBondContact O-CB 3.13Å; R392-I396 WeakPolarHBondContact O-CD1 3.44Å; R392-I396 WeakPolarHBondContact O-CG1 3.31Å; R392-I396 PolarHBondContact O-N 2.71Å
393	K	56.3	Low	55.3	Low	114 Å²	114	103.1 Å²	103.1	50%	0.496	55%	0.552	S	S	.	*	H	α-helix	trans	-63.3	-35.9	177.3	-156.7	167.5	-170.3	169.4	0	111.1	A389 S390 R397	A389-K393 VanDerWaalsContact O-CB 3.24Å; A389-K393 WeakPolarHBondContact O-CB 3.19Å; A389-K393 PolarHBondContact O-N 3.01Å; S390-K393 PolarHBondContact O-N 2.93Å; K393-R397 WeakPolarHBondContact O-CB 3.11Å; K393-R397 PolarHBondContact O-N 2.76Å
394	E	57.2	Low	55.6	Low	96 Å²	96	95 Å²	95	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-74.5	-38.9	175.7	-170.8	140.9	-150	0	0	113.3	S390 A391 R392 R397 N398	S390-E394 WeakPolarHBondContact O-CB 3.4Å; S390-E394 PolarHBondContact O-N 3.26Å; A391-E394 PolarHBondContact O-N 2.8Å; R392-E394 VanDerWaalsContact C-N 3.29Å; R392-E394 PolarHBondContact O-N 3.39Å; E394-R397 PolarHBondContact O-N 2.64Å; E394-N398 WeakPolarHBondContact O-CB 3.41Å; E394-N398 VanDerWaalsContact O-CG 3.32Å; E394-N398 PolarHBondContact O-N 2.49Å; E394-N398 PolarHBondContact O-ND2 3.25Å
395	V	56.2	Low	55.9	Low	76 Å²	76	95.2 Å²	95.2	46%	0.461	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-43	171.5	170.9	0	0	0	0	110.9	A391 R392 N398 K399	A391-V395 VanDerWaalsContact O-CG2 3.31Å; A391-V395 WeakPolarHBondContact O-CG2 3.29Å; A391-V395 PolarHBondContact O-N 3.29Å; R392-V395 PolarHBondContact O-N 3.4Å; V395-N398 PolarHBondContact O-N 2.97Å; V395-K399 HydrophobicContact CG1-CD 4.2Å; V395-K399 WeakPolarHBondContact O-CB 3.1Å; V395-K399 VanDerWaalsContact O-CG 3.29Å; V395-K399 WeakPolarHBondContact O-CG 3.32Å; V395-K399 PolarHBondContact O-N 2.65Å
396	I	58.4	Low	56	Low	86 Å²	86	92.8 Å²	92.8	44%	0.441	50%	0.502	S	S	.	.	H	α-helix	trans	-64.4	-44.9	175.5	-69.2	165.3	0	0	0	110	R392 N398 K399 I400	R392-I396 WeakPolarHBondContact O-CB 3.13Å; R392-I396 WeakPolarHBondContact O-CD1 3.44Å; R392-I396 WeakPolarHBondContact O-CG1 3.31Å; R392-I396 PolarHBondContact O-N 2.71Å; I396-N398 VanDerWaalsContact C-N 3.34Å; I396-N398 PolarHBondContact O-N 3.43Å; I396-K399 PolarHBondContact O-N 2.93Å; I396-I400 HydrophobicContact CG2-CD1 3.67Å; I396-I400 HydrophobicContact CG2-CG1 4.31Å; I396-I400 WeakPolarHBondContact O-CB 3.22Å; I396-I400 VanDerWaalsContact O-CG1 3.23Å; I396-I400 WeakPolarHBondContact O-CG1 3.27Å; I396-I400 PolarHBondContact O-N 3.27Å
397	R	58	Low	55.9	Low	112 Å²	112	90.8 Å²	90.8	42%	0.423	48%	0.478	S	S	.	.	H	α-helix	trans	-60.7	-40.2	175.6	-170.2	-171.9	-64.2	149.9	-3.6	112.4	K393 E394 I400 R401	K393-R397 WeakPolarHBondContact O-CB 3.11Å; K393-R397 PolarHBondContact O-N 2.76Å; E394-R397 PolarHBondContact O-N 2.64Å; R397-I400 PolarHBondContact O-N 3.15Å; R397-R401 WeakPolarHBondContact O-CB 3.3Å; R397-R401 VanDerWaalsContact O-CG 3.3Å; R397-R401 WeakPolarHBondContact O-CG 3.08Å; R397-R401 PolarHBondContact O-N 3.43Å
398	N	57.3	Low	55.9	Low	81 Å²	81	95.4 Å²	95.4	43%	0.433	48%	0.48	S	S	.	.	H	α-helix	trans	-71.7	-36.6	176.8	-75.2	-22.7	0	0	0	112.1	E394 V395 I396 R401 A402	E394-N398 WeakPolarHBondContact O-CB 3.41Å; E394-N398 VanDerWaalsContact O-CG 3.32Å; E394-N398 PolarHBondContact O-N 2.49Å; E394-N398 PolarHBondContact O-ND2 3.25Å; V395-N398 PolarHBondContact O-N 2.97Å; I396-N398 VanDerWaalsContact C-N 3.34Å; I396-N398 PolarHBondContact O-N 3.43Å; N398-R401 PolarHBondContact O-N 3.31Å; N398-A402 VanDerWaalsContact O-CB 3.29Å; N398-A402 WeakPolarHBondContact O-CB 3.35Å; N398-A402 PolarHBondContact O-N 2.99Å
399	K	57.6	Low	56.1	Low	134 Å²	134	92.5 Å²	92.5	58%	0.583	46%	0.462	S	S	*	.	H	α-helix	trans	-63.7	-45.1	170.3	-75.7	179	178.6	-173	0	111.2	V395 I396 R401 A402 I403	V395-K399 HydrophobicContact CG1-CD 4.2Å; V395-K399 WeakPolarHBondContact O-CB 3.1Å; V395-K399 VanDerWaalsContact O-CG 3.29Å; V395-K399 WeakPolarHBondContact O-CG 3.32Å; V395-K399 PolarHBondContact O-N 2.65Å; I396-K399 PolarHBondContact O-N 2.93Å; K399-R401 PolarHBondContact O-N 3.12Å; K399-A402 PolarHBondContact O-N 3.4Å; K399-I403 VanDerWaalsContact O-CB 3.25Å; K399-I403 WeakPolarHBondContact O-CB 3.03Å; K399-I403 WeakPolarHBondContact O-CD1 3.15Å; K399-I403 WeakPolarHBondContact O-CG1 3.35Å; K399-I403 PolarHBondContact O-N 3.39Å
400	I	58.2	Low	56.2	Low	93 Å²	93	93.4 Å²	93.4	48%	0.477	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-40.3	174.7	-68.6	167.8	0	0	0	111.1	I396 R397 I403 G404	I396-I400 HydrophobicContact CG2-CD1 3.67Å; I396-I400 HydrophobicContact CG2-CG1 4.31Å; I396-I400 WeakPolarHBondContact O-CB 3.22Å; I396-I400 VanDerWaalsContact O-CG1 3.23Å; I396-I400 WeakPolarHBondContact O-CG1 3.27Å; I396-I400 PolarHBondContact O-N 3.27Å; R397-I400 PolarHBondContact O-N 3.15Å; I400-I403 CarbonylContact O-C 3.6Å; I400-I403 PolarHBondContact O-N 2.9Å; I400-G404 PolarHBondContact O-N 3.44Å
401	R	56.5	Low	56.2	Low	161 Å²	161	91.4 Å²	91.4	61%	0.608	44%	0.444	S	S	*	.	H	α-helix	trans	-68.6	-40	176	-78.6	175.6	174.5	178	-2.8	112.9	R397 N398 K399 G404 K405	R397-R401 WeakPolarHBondContact O-CB 3.3Å; R397-R401 VanDerWaalsContact O-CG 3.3Å; R397-R401 WeakPolarHBondContact O-CG 3.08Å; R397-R401 PolarHBondContact O-N 3.43Å; N398-R401 PolarHBondContact O-N 3.31Å; K399-R401 PolarHBondContact O-N 3.12Å; R401-G404 PolarHBondContact O-N 2.91Å; R401-K405 PolarHBondContact O-N 3.36Å
402	A	56.3	Low	56.4	Low	50 Å²	50	89.3 Å²	89.3	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-66.4	-42.3	174.7	0	0	0	0	0	111	N398 K399 K405 M406	N398-A402 VanDerWaalsContact O-CB 3.29Å; N398-A402 WeakPolarHBondContact O-CB 3.35Å; N398-A402 PolarHBondContact O-N 2.99Å; K399-A402 PolarHBondContact O-N 3.4Å; A402-K405 PolarHBondContact O-N 2.81Å; A402-M406 PolarHBondContact O-N 3.46Å
403	I	57.6	Low	56.5	Low	65 Å²	65	82.2 Å²	82.2	33%	0.333	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-37.8	173.3	-68.1	164.7	0	0	0	110.5	L370 K399 I400 K405 M406 A407	L370-I403 HydrophobicContact CD1-CD1 4.46Å; K399-I403 VanDerWaalsContact O-CB 3.25Å; K399-I403 WeakPolarHBondContact O-CB 3.03Å; K399-I403 WeakPolarHBondContact O-CD1 3.15Å; K399-I403 WeakPolarHBondContact O-CG1 3.35Å; K399-I403 PolarHBondContact O-N 3.39Å; I400-I403 CarbonylContact O-C 3.6Å; I400-I403 PolarHBondContact O-N 2.9Å; I403-K405 VanDerWaalsContact C-N 3.35Å; I403-M406 CarbonylContact O-C 3.54Å; I403-M406 PolarHBondContact O-N 2.95Å; I403-A407 WeakPolarHBondContact O-CA 3.46Å; I403-A407 WeakPolarHBondContact O-CB 3.34Å; I403-A407 PolarHBondContact O-N 3.17Å
404	G	55	Low	56.4	Low	27 Å²	27	81.2 Å²	81.2	28%	0.278	39%	0.394	S	S	.	.	H	α-helix	trans	-72.4	-25.2	175.9	0	0	0	0	0	113.8	I400 R401 R408	I400-G404 PolarHBondContact O-N 3.44Å; R401-G404 PolarHBondContact O-N 2.91Å; G404-R408 WeakPolarHBondContact O-CB 3.43Å; G404-R408 PolarHBondContact O-N 3.44Å; G404-R408 VanDerWaalsContact O-N 3.15Å; G404-R408 PolarHBondContact O-NE 3.05Å
405	K	56.7	Low	56.3	Low	143 Å²	143	82 Å²	82	62%	0.622	40%	0.397	S	S	*	.	H	α-helix	trans	-73.6	-45.6	167	-80.2	-175.6	177.7	-175.9	0	110.8	R401 A402 I403 R408 V409	R401-K405 PolarHBondContact O-N 3.36Å; A402-K405 PolarHBondContact O-N 2.81Å; I403-K405 VanDerWaalsContact C-N 3.35Å; K405-R408 PolarHBondContact O-N 2.81Å; K405-V409 WeakPolarHBondContact O-CG2 3.25Å; K405-V409 PolarHBondContact O-N 2.63Å
406	M	53.1	Low	56.6	Low	104 Å²	104	78.9 Å²	78.9	51%	0.512	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-47.9	173.5	-83.5	-161.8	-80.2	0	0	111.2	A402 I403 R408 V409 F410	A402-M406 PolarHBondContact O-N 3.46Å; I403-M406 CarbonylContact O-C 3.54Å; I403-M406 PolarHBondContact O-N 2.95Å; M406-R408 VanDerWaalsContact C-N 3.26Å; M406-R408 PolarHBondContact O-N 3.26Å; M406-V409 CarbonylContact O-C 3.52Å; M406-V409 WeakPolarHBondContact O-CA 3.45Å; M406-V409 WeakPolarHBondContact O-CB 3.47Å; M406-V409 PolarHBondContact O-N 2.85Å; M406-F410 HydrophobicContact CB-CD2 4.05Å; M406-F410 HydrophobicContact CB-CE2 4.2Å; M406-F410 HydrophobicContact CG-CE2 4.41Å; M406-F410 WeakPolarHBondContact O-CB 3.43Å; M406-F410 WeakPolarHBondContact O-CD2 3.34Å; M406-F410 PolarHBondContact O-N 2.98Å; M406-F410 HydrophobicContact SD-CE2 4.32Å
407	A	52.5	Low	56.5	Low	25 Å²	25	76.8 Å²	76.8	21%	0.207	37%	0.371	C	S	.	.	H	α-helix	trans	-60.4	-33.4	177	0	0	0	0	0	111.9	V367 I403 S411	V367-A407 HydrophobicContact CG1-CB 4.1Å; V367-A407 HydrophobicContact CG2-CB 3.99Å; I403-A407 WeakPolarHBondContact O-CA 3.46Å; I403-A407 WeakPolarHBondContact O-CB 3.34Å; I403-A407 PolarHBondContact O-N 3.17Å; A407-S411 WeakPolarHBondContact O-CA 3.37Å; A407-S411 WeakPolarHBondContact O-CB 3.49Å; A407-S411 PolarHBondContact O-N 2.81Å
408	R	55.4	Low	56.4	Low	173 Å²	173	77.1 Å²	77.1	65%	0.653	38%	0.377	S	S	*	.	H	α-helix	trans	-68.5	-46.4	169.7	-96.6	-178.6	-74.7	177.4	-9.8	112.5	G404 K405 M406 F410 S411 V412	G404-R408 WeakPolarHBondContact O-CB 3.43Å; G404-R408 PolarHBondContact O-N 3.44Å; G404-R408 VanDerWaalsContact O-N 3.15Å; G404-R408 PolarHBondContact O-NE 3.05Å; K405-R408 PolarHBondContact O-N 2.81Å; M406-R408 VanDerWaalsContact C-N 3.26Å; M406-R408 PolarHBondContact O-N 3.26Å; R408-F410 VanDerWaalsContact C-N 3.27Å; R408-F410 PolarHBondContact O-N 3.24Å; R408-S411 PolarHBondContact O-N 3.43Å; R408-V412 WeakPolarHBondContact O-CB 3.28Å; R408-V412 WeakPolarHBondContact O-CG2 3.12Å; R408-V412 PolarHBondContact O-N 3.11Å
409	V	58	Low	56.5	Low	44 Å²	44	74.4 Å²	74.4	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-41.3	174.7	169.1	0	0	0	0	110.7	K405 M406 L413 L437	K405-V409 WeakPolarHBondContact O-CG2 3.25Å; K405-V409 PolarHBondContact O-N 2.63Å; M406-V409 CarbonylContact O-C 3.52Å; M406-V409 WeakPolarHBondContact O-CA 3.45Å; M406-V409 WeakPolarHBondContact O-CB 3.47Å; M406-V409 PolarHBondContact O-N 2.85Å; V409-L413 HydrophobicContact CG1-CD1 4.19Å; V409-L413 WeakPolarHBondContact O-CB 3.25Å; V409-L413 VanDerWaalsContact O-CG 3.25Å; V409-L413 WeakPolarHBondContact O-CG 3.17Å; V409-L413 PolarHBondContact O-N 3.5Å; V409-L437 HydrophobicContact CG1-CB 4.19Å
410	F	55.1	Low	56.9	Low	61 Å²	61	68.5 Å²	68.5	27%	0.268	34%	0.34	S	S	.	.	H	α-helix	trans	-76.6	-32.4	178.3	-77.4	-70.8	0	0	0	113.2	T363 M406 R408 V412 L413 R414	T363-F410 HydrophobicContact CG2-CB 4.47Å; T363-F410 HydrophobicContact CG2-CD1 4.24Å; T363-F410 HydrophobicContact CG2-CD2 3.62Å; T363-F410 HydrophobicContact CG2-CE1 4.4Å; T363-F410 HydrophobicContact CG2-CE2 3.85Å; T363-F410 HydrophobicContact CG2-CG 3.87Å; T363-F410 HydrophobicContact CG2-CZ 4.23Å; M406-F410 HydrophobicContact CB-CD2 4.05Å; M406-F410 HydrophobicContact CB-CE2 4.2Å; M406-F410 HydrophobicContact CG-CE2 4.41Å; M406-F410 WeakPolarHBondContact O-CB 3.43Å; M406-F410 WeakPolarHBondContact O-CD2 3.34Å; M406-F410 PolarHBondContact O-N 2.98Å; M406-F410 HydrophobicContact SD-CE2 4.32Å; R408-F410 VanDerWaalsContact C-N 3.27Å; R408-F410 PolarHBondContact O-N 3.24Å; F410-V412 VanDerWaalsContact C-N 3.34Å; F410-L413 HydrophobicContact CD1-CD1 3.7Å; F410-L413 HydrophobicContact CE1-CD1 4Å; F410-L413 HydrophobicContact CG-CD1 4.38Å; F410-L413 CarbonylContact O-C 3.51Å; F410-L413 PolarHBondContact O-N 3.04Å; F410-R414 WeakPolarHBondContact O-CB 3.34Å; F410-R414 PolarHBondContact O-N 2.89Å
411	S	55.9	Low	57.1	Low	32 Å²	32	70 Å²	70	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-67.7	-38.3	171.8	-155.8	0	0	0	0	110.4	A407 R408 R414 E415	A407-S411 WeakPolarHBondContact O-CA 3.37Å; A407-S411 WeakPolarHBondContact O-CB 3.49Å; A407-S411 PolarHBondContact O-N 2.81Å; R408-S411 PolarHBondContact O-N 3.43Å; S411-R414 PolarHBondContact O-N 3.28Å; S411-E415 WeakPolarHBondContact O-CB 3.23Å; S411-E415 WeakPolarHBondContact O-CG 3.07Å; S411-E415 PolarHBondContact O-N 2.95Å; S411-E415 PolarHBondContact OG-OE1 2.62Å
412	V	59.3	Low	57.3	Low	14 Å²	14	65.2 Å²	65.2	9%	0.085	34%	0.337	C	S	.	.	H	α-helix	trans	-66.4	-44.3	172.3	173.7	0	0	0	0	110.3	R408 F410 R414 E416 L444	R408-V412 WeakPolarHBondContact O-CB 3.28Å; R408-V412 WeakPolarHBondContact O-CG2 3.12Å; R408-V412 PolarHBondContact O-N 3.11Å; F410-V412 VanDerWaalsContact C-N 3.34Å; V412-R414 PolarHBondContact O-N 3.18Å; V412-E416 VanDerWaalsContact O-CB 3.3Å; V412-E416 WeakPolarHBondContact O-CB 3.42Å; V412-E416 PolarHBondContact O-N 3.39Å; V412-E416 VanDerWaalsContact O-N 3.11Å; V412-L444 HydrophobicContact CG1-CB 4.3Å; V412-L444 HydrophobicContact CG1-CD2 3.64Å
413	L	56.9	Low	57.6	Low	35 Å²	35	63 Å²	63	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-27.6	171.4	-74.2	165.5	0	0	0	113.1	V409 F410 S417 V420 L437	V409-L413 HydrophobicContact CG1-CD1 4.19Å; V409-L413 WeakPolarHBondContact O-CB 3.25Å; V409-L413 VanDerWaalsContact O-CG 3.25Å; V409-L413 WeakPolarHBondContact O-CG 3.17Å; V409-L413 PolarHBondContact O-N 3.5Å; F410-L413 HydrophobicContact CD1-CD1 3.7Å; F410-L413 HydrophobicContact CE1-CD1 4Å; F410-L413 HydrophobicContact CG-CD1 4.38Å; F410-L413 CarbonylContact O-C 3.51Å; F410-L413 PolarHBondContact O-N 3.04Å; L413-S417 WeakPolarHBondContact O-CA 3.29Å; L413-S417 WeakPolarHBondContact O-CB 3.47Å; L413-S417 PolarHBondContact O-N 3.43Å; L413-V420 HydrophobicContact CD2-CG1 4.02Å; L413-V420 HydrophobicContact CD2-CG2 4.02Å; L413-L437 HydrophobicContact CD1-CD1 4.37Å; L413-L437 HydrophobicContact CD2-CD1 3.76Å; L413-L437 HydrophobicContact CD2-CD2 3.49Å; L413-L437 VanDerWaalsContact CD2-CD2 3.49Å; L413-L437 HydrophobicContact CD2-CG 4.27Å; L413-L437 HydrophobicContact CG-CD1 4.23Å; L413-L437 HydrophobicContact CG-CD2 3.96Å
414	R	52.8	Low	57.9	Low	93 Å²	93	64 Å²	64	35%	0.351	32%	0.32	S	S	.	.	H	α-helix	trans	-86.3	-55.5	-177.8	-175.8	-177.9	73	161.8	0.8	112.7	E364 F410 S411 V412 E416 S417	E364-R414 WeakPolarHBondContact OE1-CD 3.18Å; E364-R414 IonicContact OE1-CZ 3.74Å; E364-R414 IonicContact OE1-NE 3.89Å; E364-R414 IonicContact OE1-NH1 2.79Å; E364-R414 PolarHBondContact OE1-NH1 3.41Å; F410-R414 WeakPolarHBondContact O-CB 3.34Å; F410-R414 PolarHBondContact O-N 2.89Å; S411-R414 PolarHBondContact O-N 3.28Å; V412-R414 PolarHBondContact O-N 3.18Å; R414-E416 PolarHBondContact O-N 3.39Å; R414-S417 WeakPolarHBondContact O-CB 3.27Å; R414-S417 PolarHBondContact O-N 3.4Å; R414-S417 PolarHBondContact O-OG 2.83Å
415	E	55.6	Low	58	Low	112 Å²	112	66 Å²	66	52%	0.523	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-30.1	-179.3	-73.7	169.5	-147.2	0	0	111.8	S411	S411-E415 WeakPolarHBondContact O-CB 3.23Å; S411-E415 WeakPolarHBondContact O-CG 3.07Å; S411-E415 PolarHBondContact O-N 2.95Å; S411-E415 PolarHBondContact OG-OE1 2.62Å
416	E	62.4	Low	58.1	Low	12 Å²	12	61.8 Å²	61.8	6%	0.056	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	29.9	-179.2	-51.9	-67.7	142.5	0	0	110	V412 R414 E418 S419 V420 K441 L444 Q445	V412-E416 VanDerWaalsContact O-CB 3.3Å; V412-E416 WeakPolarHBondContact O-CB 3.42Å; V412-E416 PolarHBondContact O-N 3.39Å; V412-E416 VanDerWaalsContact O-N 3.11Å; R414-E416 PolarHBondContact O-N 3.39Å; E416-E418 VanDerWaalsContact C-N 3.25Å; E416-E418 PolarHBondContact O-N 2.68Å; E416-S419 CarbonylContact O-C 3.55Å; E416-S419 WeakPolarHBondContact O-CA 3.31Å; E416-S419 WeakPolarHBondContact O-CB 3.42Å; E416-S419 PolarHBondContact O-N 2.79Å; E416-S419 PolarHBondContact OE2-OG 3.35Å; E416-S419 VanDerWaalsContact OE2-OG 3.06Å; E416-V420 WeakPolarHBondContact O-CG2 3.36Å; E416-V420 PolarHBondContact O-N 3.37Å; E416-K441 HydrophobicContact CG-CG 4.23Å; E416-K441 WeakPolarHBondContact OE1-CD 3.25Å; E416-K441 WeakPolarHBondContact OE1-CE 3.44Å; E416-K441 IonicContact OE1-NZ 2.7Å; E416-K441 PolarHBondContact OE1-NZ 3.29Å; E416-L444 HydrophobicContact CB-CD2 3.33Å; E416-L444 HydrophobicContact CB-CG 4.4Å; E416-L444 HydrophobicContact CG-CD2 3.95Å; E416-Q445 PolarHBondContact OE1-NE2 2.79Å; E416-Q445 WeakPolarHBondContact OE2-CG 3.46Å; E416-Q445 PolarHBondContact OE2-NE2 3.48Å
417	S	57.4	Low	58	Low	42 Å²	42	58 Å²	58	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-56.4	-39.8	179.2	49.2	0	0	0	0	112.2	L413 R414 V420 L421	L413-S417 WeakPolarHBondContact O-CA 3.29Å; L413-S417 WeakPolarHBondContact O-CB 3.47Å; L413-S417 PolarHBondContact O-N 3.43Å; R414-S417 WeakPolarHBondContact O-CB 3.27Å; R414-S417 PolarHBondContact O-N 3.4Å; R414-S417 PolarHBondContact O-OG 2.83Å; S417-V420 PolarHBondContact O-N 3.4Å; S417-L421 WeakPolarHBondContact O-CB 3.31Å; S417-L421 PolarHBondContact O-N 2.7Å
418	E	55	Low	57.7	Low	118 Å²	118	63.5 Å²	63.5	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-61.8	-51	170.6	-66.9	-171.4	163.2	0	0	110.9	E416 V420 L421 T422	E416-E418 VanDerWaalsContact C-N 3.25Å; E416-E418 PolarHBondContact O-N 2.68Å; E418-V420 VanDerWaalsContact C-N 3.25Å; E418-V420 PolarHBondContact O-N 3.46Å; E418-L421 PolarHBondContact O-N 3.47Å; E418-L421 VanDerWaalsContact O-N 3.17Å; E418-T422 WeakPolarHBondContact O-CB 3.29Å; E418-T422 PolarHBondContact O-N 3.28Å; E418-T422 PolarHBondContact O-OG1 3.07Å
419	S	60	Low	57.5	Low	25 Å²	25	60.5 Å²	60.5	18%	0.175	34%	0.341	C	S	.	.	H	α-helix	trans	-57.9	-35.8	177.4	-45.5	0	0	0	0	112.7	E416 L423	E416-S419 CarbonylContact O-C 3.55Å; E416-S419 WeakPolarHBondContact O-CA 3.31Å; E416-S419 WeakPolarHBondContact O-CB 3.42Å; E416-S419 PolarHBondContact O-N 2.79Å; E416-S419 PolarHBondContact OE2-OG 3.35Å; E416-S419 VanDerWaalsContact OE2-OG 3.06Å; S419-L423 WeakPolarHBondContact O-CB 3.45Å; S419-L423 PolarHBondContact O-N 2.93Å
420	V	64.4	Low	57.2	Low	9 Å²	9	60.3 Å²	60.3	6%	0.055	35%	0.348	C	S	.	.	H	α-helix	trans	-71.2	-43.8	176.6	168.1	0	0	0	0	112.1	L413 E416 S417 E418 K424 L432 L437 L444	L413-V420 HydrophobicContact CD2-CG1 4.02Å; L413-V420 HydrophobicContact CD2-CG2 4.02Å; E416-V420 WeakPolarHBondContact O-CG2 3.36Å; E416-V420 PolarHBondContact O-N 3.37Å; S417-V420 PolarHBondContact O-N 3.4Å; E418-V420 VanDerWaalsContact C-N 3.25Å; E418-V420 PolarHBondContact O-N 3.46Å; V420-K424 HydrophobicContact CG1-CD 4.44Å; V420-K424 WeakPolarHBondContact O-CB 3.47Å; V420-K424 WeakPolarHBondContact O-CG 3.36Å; V420-K424 PolarHBondContact O-N 3.34Å; V420-L432 HydrophobicContact CG1-CD1 3.89Å; V420-L432 HydrophobicContact CG1-CD2 4.28Å; V420-L437 HydrophobicContact CG2-CD2 4.14Å; V420-L444 HydrophobicContact CG2-CD1 3.97Å; V420-L444 HydrophobicContact CG2-CD2 3.62Å; V420-L444 HydrophobicContact CG2-CG 4.42Å
421	L	62.4	Low	57.2	Low	126 Å²	126	64 Å²	64	66%	0.66	37%	0.368	S	S	*	.	H	α-helix	trans	-63.4	-45.7	175.3	-95.9	148.1	0	0	0	110.7	S417 E418 K424 G425	S417-L421 WeakPolarHBondContact O-CB 3.31Å; S417-L421 PolarHBondContact O-N 2.7Å; E418-L421 PolarHBondContact O-N 3.47Å; E418-L421 VanDerWaalsContact O-N 3.17Å; L421-K424 PolarHBondContact O-N 2.88Å; L421-G425 PolarHBondContact O-N 2.82Å
422	T	61.4	Low	57.3	Low	59 Å²	59	64.2 Å²	64.2	36%	0.362	37%	0.367	S	S	.	.	H	α-helix	trans	-58.6	-53.6	174.3	-58.5	0	0	0	0	110.4	E418 K424 G425 L426 I452	E418-T422 WeakPolarHBondContact O-CB 3.29Å; E418-T422 PolarHBondContact O-N 3.28Å; E418-T422 PolarHBondContact O-OG1 3.07Å; T422-K424 VanDerWaalsContact C-N 3.31Å; T422-K424 PolarHBondContact O-N 3.46Å; T422-G425 CarbonylContact O-C 3.53Å; T422-G425 WeakPolarHBondContact O-CA 3.2Å; T422-G425 PolarHBondContact O-N 3.12Å; T422-L426 HydrophobicContact CG2-CD1 3.82Å; T422-L426 HydrophobicContact CG2-CG 4.35Å; T422-L426 VanDerWaalsContact O-CG 3.29Å; T422-L426 WeakPolarHBondContact O-CG 3.1Å; T422-L426 PolarHBondContact O-N 3.5Å; T422-I452 HydrophobicContact CG2-CD1 4.36Å; T422-I452 HydrophobicContact CG2-CG1 4.34Å
423	L	62.8	Low	57.4	Low	5 Å²	5	66.6 Å²	66.6	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-37.6	-179.4	-172.2	61.3	0	0	0	112.4	S419 L426 T427 L432 V436 L444 A447 A451	S419-L423 WeakPolarHBondContact O-CB 3.45Å; S419-L423 PolarHBondContact O-N 2.93Å; L423-L426 PolarHBondContact O-N 2.8Å; L423-T427 VanDerWaalsContact O-CG2 3.22Å; L423-T427 WeakPolarHBondContact O-CG2 3.06Å; L423-T427 PolarHBondContact O-N 2.67Å; L423-T427 PolarHBondContact O-OG1 3.28Å; L423-L432 HydrophobicContact CB-CD2 4.24Å; L423-L432 HydrophobicContact CD2-CD2 3.89Å; L423-L432 HydrophobicContact CG-CD2 4.12Å; L423-V436 HydrophobicContact CD2-CG1 4.39Å; L423-L444 HydrophobicContact CD2-CD1 3.98Å; L423-A447 HydrophobicContact CD2-CB 4.18Å; L423-A451 HydrophobicContact CD1-CB 3.32Å
424	K	64.1	Low	57.2	Low	86 Å²	86	71.2 Å²	71.2	37%	0.374	42%	0.418	S	S	.	.	H	α-helix	trans	-64.5	-40.9	172.2	-79.1	-179.4	176.7	-178.9	0	112.4	V420 L421 T422 L426 T427 L432	V420-K424 HydrophobicContact CG1-CD 4.44Å; V420-K424 WeakPolarHBondContact O-CB 3.47Å; V420-K424 WeakPolarHBondContact O-CG 3.36Å; V420-K424 PolarHBondContact O-N 3.34Å; L421-K424 PolarHBondContact O-N 2.88Å; T422-K424 VanDerWaalsContact C-N 3.31Å; T422-K424 PolarHBondContact O-N 3.46Å; K424-L426 VanDerWaalsContact C-N 3.27Å; K424-L426 PolarHBondContact O-N 3.26Å; K424-T427 PolarHBondContact O-N 2.69Å; K424-T427 PolarHBondContact O-OG1 3.05Å; K424-L432 HydrophobicContact CD-CG 4.43Å; K424-L432 HydrophobicContact CG-CD2 3.87Å; K424-L432 HydrophobicContact CG-CG 3.85Å
425	G	56.4	Low	57.4	Low	67 Å²	67	68.6 Å²	68.6	69%	0.691	42%	0.42	S	S	*	.	H	α-helix	trans	-64.9	-30.1	175.7	0	0	0	0	0	113.4	L421 T422	L421-G425 PolarHBondContact O-N 2.82Å; T422-G425 CarbonylContact O-C 3.53Å; T422-G425 WeakPolarHBondContact O-CA 3.2Å; T422-G425 PolarHBondContact O-N 3.12Å
426	L	59	Low	57.8	Low	56 Å²	56	64.1 Å²	64.1	29%	0.293	40%	0.4	S	S	.	.	H	α-helix	trans	-87.1	-15.7	179	-63.3	176.6	0	0	0	113.6	T422 L423 K424 A451 I452 D455	T422-L426 HydrophobicContact CG2-CD1 3.82Å; T422-L426 HydrophobicContact CG2-CG 4.35Å; T422-L426 VanDerWaalsContact O-CG 3.29Å; T422-L426 WeakPolarHBondContact O-CG 3.1Å; T422-L426 PolarHBondContact O-N 3.5Å; L423-L426 PolarHBondContact O-N 2.8Å; K424-L426 VanDerWaalsContact C-N 3.27Å; K424-L426 PolarHBondContact O-N 3.26Å; L426-A451 HydrophobicContact CB-CB 4.47Å; L426-A451 HydrophobicContact CD1-CB 4.13Å; L426-I452 HydrophobicContact CD1-CG1 4.11Å; L426-D455 HydrophobicContact CD1-CB 4.25Å; L426-D455 HydrophobicContact CD2-CB 3.94Å; L426-D455 VanDerWaalsContact CD2-OD2 3.31Å; L426-D455 WeakPolarHBondContact CD2-OD2 3.18Å
427	T	51.9	Low	57.5	Low	25 Å²	25	65.4 Å²	65.4	15%	0.153	41%	0.407	C	S	.	.	S	Bend	trans	-83.3	131.2	176.3	54.1	0	0	0	0	112.1	L423 K424 T429 G430 M431	L423-T427 VanDerWaalsContact O-CG2 3.22Å; L423-T427 WeakPolarHBondContact O-CG2 3.06Å; L423-T427 PolarHBondContact O-N 2.67Å; L423-T427 PolarHBondContact O-OG1 3.28Å; K424-T427 PolarHBondContact O-N 2.69Å; K424-T427 PolarHBondContact O-OG1 3.05Å; T427-T429 PolarHBondContact O-N 2.7Å; T427-G430 PolarHBondContact O-N 2.84Å; T427-G430 PolarHBondContact OG1-N 3.36Å; T427-M431 PolarHBondContact OG1-N 3.41Å; T427-M431 PolarHBondContact OG1-O 2.7Å
428	P	46.3	Very low	57.5	Low	140 Å²	140	68 Å²	68	91%	0.909	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.7	180	-24.8	32.6	0	0	0	114.9
429	T	50.2	Low	57.8	Low	109 Å²	109	63.9 Å²	63.9	67%	0.669	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-4.9	-178.6	57.3	0	0	0	0	113.4	T427 M431	T427-T429 PolarHBondContact O-N 2.7Å; T429-M431 PolarHBondContact O-N 3.34Å
430	G	51.8	Low	57.9	Low	40 Å²	40	63.8 Å²	63.8	41%	0.412	42%	0.417	S	S	.	.	S	Bend	trans	65.8	10.8	-174.6	0	0	0	0	0	114.7	T427	T427-G430 PolarHBondContact O-N 2.84Å; T427-G430 PolarHBondContact OG1-N 3.36Å
431	M	55.6	Low	58.1	Low	139 Å²	139	67.5 Å²	67.5	69%	0.685	43%	0.432	S	S	*	.	S	Bend	trans	-117.1	141.8	-176.5	-62.6	-166.7	87.4	0	0	111.3	T427 T429	T427-M431 PolarHBondContact OG1-N 3.41Å; T427-M431 PolarHBondContact OG1-O 2.7Å; T429-M431 PolarHBondContact O-N 3.34Å
432	L	57.8	Low	58.4	Low	37 Å²	37	68.9 Å²	68.9	19%	0.194	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-69.8	139.7	177.1	-66.5	166.9	0	0	0	111.1	V420 L423 K424 L437	V420-L432 HydrophobicContact CG1-CD1 3.89Å; V420-L432 HydrophobicContact CG1-CD2 4.28Å; L423-L432 HydrophobicContact CB-CD2 4.24Å; L423-L432 HydrophobicContact CD2-CD2 3.89Å; L423-L432 HydrophobicContact CG-CD2 4.12Å; K424-L432 HydrophobicContact CD-CG 4.43Å; K424-L432 HydrophobicContact CG-CD2 3.87Å; K424-L432 HydrophobicContact CG-CG 3.85Å; L432-L437 HydrophobicContact CD1-CD1 3.66Å; L432-L437 HydrophobicContact CD1-CD2 3.96Å; L432-L437 HydrophobicContact CD1-CG 3.9Å
433	P	60.6	Low	58.7	Low	64 Å²	64	72.4 Å²	72.4	42%	0.416	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-60.9	142.3	173.9	-18.4	29.1	0	0	0	111.9	G435 V436	P433-G435 PolarHBondContact O-N 3.19Å; P433-V436 HydrophobicContact CB-CG2 3.73Å; P433-V436 HydrophobicContact CG-CG2 4.17Å; P433-V436 VanDerWaalsContact O-CG2 3.31Å; P433-V436 WeakPolarHBondContact O-CG2 3.49Å; P433-V436 PolarHBondContact O-N 3.25Å
434	S	53.3	Low	59	Low	132 Å²	132	72.1 Å²	72.1	92%	0.923	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	132.4	-176.9	-171.8	0	0	0	0	111.3
435	G	56.6	Low	59.1	Low	38 Å²	38	71.1 Å²	71.1	39%	0.392	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-8.1	176.4	0	0	0	0	0	116	P433 S438 G439	P433-G435 PolarHBondContact O-N 3.19Å; G435-S438 VanDerWaalsContact C-OG 3.29Å; G435-S438 VanDerWaalsContact CA-OG 3.29Å; G435-S438 WeakPolarHBondContact CA-OG 3.39Å; G435-S438 PolarHBondContact O-OG 3.23Å; G435-G439 PolarHBondContact O-N 2.91Å
436	V	63.5	Low	59.8	Low	17 Å²	17	72.2 Å²	72.2	10%	0.103	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-46.8	-178.6	177.3	0	0	0	0	111.5	L423 P433 S438 G439 L444 A447	L423-V436 HydrophobicContact CD2-CG1 4.39Å; P433-V436 HydrophobicContact CB-CG2 3.73Å; P433-V436 HydrophobicContact CG-CG2 4.17Å; P433-V436 VanDerWaalsContact O-CG2 3.31Å; P433-V436 WeakPolarHBondContact O-CG2 3.49Å; P433-V436 PolarHBondContact O-N 3.25Å; V436-S438 PolarHBondContact O-N 2.96Å; V436-G439 PolarHBondContact O-N 3.36Å; V436-G439 VanDerWaalsContact O-N 3.11Å; V436-L444 HydrophobicContact CG1-CB 4.2Å; V436-L444 HydrophobicContact CG1-CD1 3.66Å; V436-A447 HydrophobicContact CG1-CB 4.01Å; V436-A447 HydrophobicContact CG2-CB 4.42Å
437	L	55.8	Low	60.2	Low	40 Å²	40	70.4 Å²	70.4	21%	0.209	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-68.7	-31.4	179.8	-64.7	176.6	0	0	0	113.7	V409 L413 V420 L432 G439 L444	V409-L437 HydrophobicContact CG1-CB 4.19Å; L413-L437 HydrophobicContact CD1-CD1 4.37Å; L413-L437 HydrophobicContact CD2-CD1 3.76Å; L413-L437 HydrophobicContact CD2-CD2 3.49Å; L413-L437 VanDerWaalsContact CD2-CD2 3.49Å; L413-L437 HydrophobicContact CD2-CG 4.27Å; L413-L437 HydrophobicContact CG-CD1 4.23Å; L413-L437 HydrophobicContact CG-CD2 3.96Å; V420-L437 HydrophobicContact CG2-CD2 4.14Å; L432-L437 HydrophobicContact CD1-CD1 3.66Å; L432-L437 HydrophobicContact CD1-CD2 3.96Å; L432-L437 HydrophobicContact CD1-CG 3.9Å; L437-G439 PolarHBondContact O-N 3.34Å; L437-L444 HydrophobicContact CD2-CD1 4.47Å
438	S	58.4	Low	60.7	Low	96 Å²	96	69.4 Å²	69.4	67%	0.671	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-73.5	-16.5	174.6	46.5	0	0	0	0	113.1	G435 V436 G440	G435-S438 VanDerWaalsContact C-OG 3.29Å; G435-S438 VanDerWaalsContact CA-OG 3.29Å; G435-S438 WeakPolarHBondContact CA-OG 3.39Å; G435-S438 PolarHBondContact O-OG 3.23Å; V436-S438 PolarHBondContact O-N 2.96Å; S438-G440 VanDerWaalsContact C-N 3.3Å; S438-G440 PolarHBondContact O-N 3.3Å
439	G	61.2	Low	61.7	Low	32 Å²	32	66.3 Å²	66.3	33%	0.33	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-78.4	-8.1	-178.9	0	0	0	0	0	115.3	G435 V436 L437	G435-G439 PolarHBondContact O-N 2.91Å; V436-G439 PolarHBondContact O-N 3.36Å; V436-G439 VanDerWaalsContact O-N 3.11Å; L437-G439 PolarHBondContact O-N 3.34Å
440	G	63.3	Low	62.5	Low	22 Å²	22	67.7 Å²	67.7	23%	0.227	39%	0.392	C	S	.	.	H	α-helix	trans	79.9	-175.9	-176	0	0	0	0	0	113.3	S438 E442 K443 L444	S438-G440 VanDerWaalsContact C-N 3.3Å; S438-G440 PolarHBondContact O-N 3.3Å; G440-E442 PolarHBondContact O-N 3.11Å; G440-K443 PolarHBondContact O-N 3.41Å; G440-L444 PolarHBondContact O-N 3.31Å
441	K	67.3	Low	63	Low	88 Å²	88	66.9 Å²	66.9	38%	0.383	38%	0.382	S	S	.	.	H	α-helix	trans	-54.7	-48.5	-178.3	176.1	171.2	175.9	127.4	0	112.9	E416 K443 L444 Q445	E416-K441 HydrophobicContact CG-CG 4.23Å; E416-K441 WeakPolarHBondContact OE1-CD 3.25Å; E416-K441 WeakPolarHBondContact OE1-CE 3.44Å; E416-K441 IonicContact OE1-NZ 2.7Å; E416-K441 PolarHBondContact OE1-NZ 3.29Å; K441-K443 PolarHBondContact O-N 3.39Å; K441-L444 PolarHBondContact O-N 2.92Å; K441-Q445 HydrophobicContact CG-CG 4.1Å; K441-Q445 VanDerWaalsContact O-CB 3.3Å; K441-Q445 WeakPolarHBondContact O-CB 3.38Å; K441-Q445 VanDerWaalsContact O-CG 3.28Å; K441-Q445 WeakPolarHBondContact O-CG 3.46Å; K441-Q445 PolarHBondContact O-N 2.87Å
442	E	69.1	Low	63.1	Low	155 Å²	155	62.4 Å²	62.4	72%	0.724	36%	0.36	S	S	*	.	H	α-helix	trans	-60.1	-43	-178.1	-75.6	-179.6	155.2	0	0	113.1	G440 N446	G440-E442 PolarHBondContact O-N 3.11Å; E442-N446 VanDerWaalsContact O-CB 3.29Å; E442-N446 WeakPolarHBondContact O-CB 3.13Å; E442-N446 PolarHBondContact O-N 3.29Å; E442-N446 PolarHBondContact O-ND2 3.15Å; E442-N446 PolarHBondContact O-OD1 2.95Å
443	K	68.3	Low	63	Low	132 Å²	132	66.3 Å²	66.3	57%	0.574	38%	0.377	S	S	*	.	H	α-helix	trans	-71.1	-36.4	178.7	-90.8	-172.4	171.7	-174.9	0	113	G440 K441 A447	G440-K443 PolarHBondContact O-N 3.41Å; K441-K443 PolarHBondContact O-N 3.39Å; K443-A447 VanDerWaalsContact O-CB 3.27Å; K443-A447 WeakPolarHBondContact O-CB 3.42Å; K443-A447 PolarHBondContact O-N 2.84Å
444	L	68.4	Low	62.7	Low	0 Å²	0	66.6 Å²	66.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-68.8	-43.2	175	178.9	67.6	0	0	0	110.7	V412 E416 V420 L423 V436 L437 G440 K441 A447 T448	V412-L444 HydrophobicContact CG1-CB 4.3Å; V412-L444 HydrophobicContact CG1-CD2 3.64Å; E416-L444 HydrophobicContact CB-CD2 3.33Å; E416-L444 HydrophobicContact CB-CG 4.4Å; E416-L444 HydrophobicContact CG-CD2 3.95Å; V420-L444 HydrophobicContact CG2-CD1 3.97Å; V420-L444 HydrophobicContact CG2-CD2 3.62Å; V420-L444 HydrophobicContact CG2-CG 4.42Å; L423-L444 HydrophobicContact CD2-CD1 3.98Å; V436-L444 HydrophobicContact CG1-CB 4.2Å; V436-L444 HydrophobicContact CG1-CD1 3.66Å; L437-L444 HydrophobicContact CD2-CD1 4.47Å; G440-L444 PolarHBondContact O-N 3.31Å; K441-L444 PolarHBondContact O-N 2.92Å; L444-A447 PolarHBondContact O-N 2.93Å; L444-T448 VanDerWaalsContact O-CB 3.23Å; L444-T448 WeakPolarHBondContact O-CB 3.4Å; L444-T448 PolarHBondContact O-N 3.03Å; L444-T448 PolarHBondContact O-OG1 3.44Å
445	Q	65.6	Low	62.6	Low	64 Å²	64	63.2 Å²	63.2	30%	0.299	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-42.2	175.6	-73.5	-171.2	-31.4	0	0	111.4	E416 K441 T448 I449	E416-Q445 PolarHBondContact OE1-NE2 2.79Å; E416-Q445 WeakPolarHBondContact OE2-CG 3.46Å; E416-Q445 PolarHBondContact OE2-NE2 3.48Å; K441-Q445 HydrophobicContact CG-CG 4.1Å; K441-Q445 VanDerWaalsContact O-CB 3.3Å; K441-Q445 WeakPolarHBondContact O-CB 3.38Å; K441-Q445 VanDerWaalsContact O-CG 3.28Å; K441-Q445 WeakPolarHBondContact O-CG 3.46Å; K441-Q445 PolarHBondContact O-N 2.87Å; Q445-T448 CarbonylContact O-C 3.12Å; Q445-T448 PolarHBondContact O-N 2.7Å; Q445-I449 VanDerWaalsContact O-CB 3.25Å; Q445-I449 WeakPolarHBondContact O-CB 3.35Å; Q445-I449 WeakPolarHBondContact O-CD1 3.46Å; Q445-I449 WeakPolarHBondContact O-CG1 3.29Å; Q445-I449 PolarHBondContact O-N 3.39Å
446	N	72.1	Confident	62	Low	90 Å²	90	66.6 Å²	66.6	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-66.7	-40.4	175.5	-68	-8.7	0	0	0	112.1	E442 T448 I449 E450	E442-N446 VanDerWaalsContact O-CB 3.29Å; E442-N446 WeakPolarHBondContact O-CB 3.13Å; E442-N446 PolarHBondContact O-N 3.29Å; E442-N446 PolarHBondContact O-ND2 3.15Å; E442-N446 PolarHBondContact O-OD1 2.95Å; N446-T448 VanDerWaalsContact C-N 3.31Å; N446-T448 PolarHBondContact O-N 3.24Å; N446-I449 CarbonylContact O-C 3.55Å; N446-I449 PolarHBondContact O-N 3.42Å; N446-E450 WeakPolarHBondContact O-CB 3.3Å; N446-E450 VanDerWaalsContact O-CG 3.3Å; N446-E450 WeakPolarHBondContact O-CG 3.48Å; N446-E450 PolarHBondContact O-N 2.92Å
447	A	67.9	Low	61.1	Low	19 Å²	19	70 Å²	70	16%	0.157	39%	0.392	C	S	.	.	H	α-helix	trans	-67.6	-33.6	174.6	0	0	0	0	0	112.4	L423 V436 K443 L444 A451	L423-A447 HydrophobicContact CD2-CB 4.18Å; V436-A447 HydrophobicContact CG1-CB 4.01Å; V436-A447 HydrophobicContact CG2-CB 4.42Å; K443-A447 VanDerWaalsContact O-CB 3.27Å; K443-A447 WeakPolarHBondContact O-CB 3.42Å; K443-A447 PolarHBondContact O-N 2.84Å; L444-A447 PolarHBondContact O-N 2.93Å; A447-A451 WeakPolarHBondContact O-CB 3.3Å; A447-A451 PolarHBondContact O-N 3.06Å
448	T	62.3	Low	60.8	Low	4 Å²	4	72.4 Å²	72.4	3%	0.025	40%	0.404	C	S	.	.	H	α-helix	trans	-73.2	-39	174.3	-51	0	0	0	0	110.4	L444 Q445 N446 A451 I452	L444-T448 VanDerWaalsContact O-CB 3.23Å; L444-T448 WeakPolarHBondContact O-CB 3.4Å; L444-T448 PolarHBondContact O-N 3.03Å; L444-T448 PolarHBondContact O-OG1 3.44Å; Q445-T448 CarbonylContact O-C 3.12Å; Q445-T448 PolarHBondContact O-N 2.7Å; N446-T448 VanDerWaalsContact C-N 3.31Å; N446-T448 PolarHBondContact O-N 3.24Å; T448-A451 PolarHBondContact O-N 3.28Å; T448-I452 HydrophobicContact CG2-CD1 3.62Å; T448-I452 HydrophobicContact CG2-CG1 4.05Å; T448-I452 WeakPolarHBondContact O-CA 3.14Å; T448-I452 WeakPolarHBondContact O-CB 3.46Å; T448-I452 WeakPolarHBondContact O-CG1 3.34Å; T448-I452 PolarHBondContact O-N 3.47Å
449	I	66.1	Low	60.2	Low	75 Å²	75	71.5 Å²	71.5	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-69.3	-35.9	174.3	-71.1	162.5	0	0	0	110.3	Q445 N446 I452 E453	Q445-I449 VanDerWaalsContact O-CB 3.25Å; Q445-I449 WeakPolarHBondContact O-CB 3.35Å; Q445-I449 WeakPolarHBondContact O-CD1 3.46Å; Q445-I449 WeakPolarHBondContact O-CG1 3.29Å; Q445-I449 PolarHBondContact O-N 3.39Å; N446-I449 CarbonylContact O-C 3.55Å; N446-I449 PolarHBondContact O-N 3.42Å; I449-I452 CarbonylContact O-C 3.31Å; I449-E453 HydrophobicContact CG2-CG 3.98Å; I449-E453 WeakPolarHBondContact CG2-OE1 3.35Å; I449-E453 WeakPolarHBondContact O-CA 3.28Å; I449-E453 WeakPolarHBondContact O-CB 3.3Å; I449-E453 WeakPolarHBondContact O-CG 3.26Å; I449-E453 PolarHBondContact O-N 2.99Å
450	E	66.8	Low	59.1	Low	138 Å²	138	72.4 Å²	72.4	65%	0.645	40%	0.398	S	S	*	.	H	α-helix	trans	-70.3	-39.6	173.9	-77.3	173.5	-178.2	0	0	111.3	N446 A454	N446-E450 WeakPolarHBondContact O-CB 3.3Å; N446-E450 VanDerWaalsContact O-CG 3.3Å; N446-E450 WeakPolarHBondContact O-CG 3.48Å; N446-E450 PolarHBondContact O-N 2.92Å; E450-A454 VanDerWaalsContact O-CB 3.23Å; E450-A454 WeakPolarHBondContact O-CB 3.29Å; E450-A454 PolarHBondContact O-N 2.94Å
451	A	63.4	Low	58.5	Low	23 Å²	23	77.4 Å²	77.4	19%	0.19	41%	0.413	C	S	.	.	H	α-helix	trans	-71.3	-38.4	174.9	0	0	0	0	0	112.3	L423 L426 A447 T448 D455	L423-A451 HydrophobicContact CD1-CB 3.32Å; L426-A451 HydrophobicContact CB-CB 4.47Å; L426-A451 HydrophobicContact CD1-CB 4.13Å; A447-A451 WeakPolarHBondContact O-CB 3.3Å; A447-A451 PolarHBondContact O-N 3.06Å; T448-A451 PolarHBondContact O-N 3.28Å; A451-D455 WeakPolarHBondContact O-CB 3.2Å; A451-D455 PolarHBondContact O-N 3.48Å
452	I	57.5	Low	57.2	Low	44 Å²	44	76.9 Å²	76.9	23%	0.226	42%	0.421	C	S	.	.	H	α-helix	trans	-68.6	-47.3	172.4	-74.3	175.5	0	0	0	108.1	T422 L426 T448 I449 A454 D455 E456	T422-I452 HydrophobicContact CG2-CD1 4.36Å; T422-I452 HydrophobicContact CG2-CG1 4.34Å; L426-I452 HydrophobicContact CD1-CG1 4.11Å; T448-I452 HydrophobicContact CG2-CD1 3.62Å; T448-I452 HydrophobicContact CG2-CG1 4.05Å; T448-I452 WeakPolarHBondContact O-CA 3.14Å; T448-I452 WeakPolarHBondContact O-CB 3.46Å; T448-I452 WeakPolarHBondContact O-CG1 3.34Å; T448-I452 PolarHBondContact O-N 3.47Å; I449-I452 CarbonylContact O-C 3.31Å; I452-A454 VanDerWaalsContact C-N 3.28Å; I452-A454 PolarHBondContact O-N 2.9Å; I452-D455 CarbonylContact O-C 3.56Å; I452-D455 WeakPolarHBondContact O-CA 3.48Å; I452-D455 WeakPolarHBondContact O-CB 3.46Å; I452-D455 PolarHBondContact O-N 3.48Å; I452-E456 HydrophobicContact CG2-CB 3.86Å; I452-E456 HydrophobicContact CG2-CG 3.42Å; I452-E456 VanDerWaalsContact CG2-CG 3.42Å; I452-E456 VanDerWaalsContact O-CA 3.32Å; I452-E456 WeakPolarHBondContact O-CA 3.21Å; I452-E456 WeakPolarHBondContact O-CB 3.38Å; I452-E456 PolarHBondContact O-N 3.4Å
453	E	54.9	Low	56	Low	119 Å²	119	73.9 Å²	73.9	56%	0.556	42%	0.415	S	S	*	.	H	α-helix	trans	-63.8	-33.3	177.8	-77.8	175	172.2	0	0	111.6	I449 D455 A457	I449-E453 HydrophobicContact CG2-CG 3.98Å; I449-E453 WeakPolarHBondContact CG2-OE1 3.35Å; I449-E453 WeakPolarHBondContact O-CA 3.28Å; I449-E453 WeakPolarHBondContact O-CB 3.3Å; I449-E453 WeakPolarHBondContact O-CG 3.26Å; I449-E453 PolarHBondContact O-N 2.99Å; E453-D455 PolarHBondContact O-N 2.88Å; E453-A457 WeakPolarHBondContact O-CB 3.39Å; E453-A457 PolarHBondContact O-N 3.35Å
454	A	55.4	Low	54.8	Low	70 Å²	70	76.1 Å²	76.1	58%	0.579	43%	0.427	S	S	*	.	H	α-helix	trans	-65.1	-26.4	166.8	0	0	0	0	0	112.9	E450 I452	E450-A454 VanDerWaalsContact O-CB 3.23Å; E450-A454 WeakPolarHBondContact O-CB 3.29Å; E450-A454 PolarHBondContact O-N 2.94Å; I452-A454 VanDerWaalsContact C-N 3.28Å; I452-A454 PolarHBondContact O-N 2.9Å
455	D	51.3	Low	54.7	Low	61 Å²	61	80.7 Å²	80.7	33%	0.326	45%	0.449	S	S	.	.	H	α-helix	trans	-103.5	-13.5	179	-163.8	62.4	0	0	0	114.8	L426 A451 I452 E453 I458 K459	L426-D455 HydrophobicContact CD1-CB 4.25Å; L426-D455 HydrophobicContact CD2-CB 3.94Å; L426-D455 VanDerWaalsContact CD2-OD2 3.31Å; L426-D455 WeakPolarHBondContact CD2-OD2 3.18Å; A451-D455 WeakPolarHBondContact O-CB 3.2Å; A451-D455 PolarHBondContact O-N 3.48Å; I452-D455 CarbonylContact O-C 3.56Å; I452-D455 WeakPolarHBondContact O-CA 3.48Å; I452-D455 WeakPolarHBondContact O-CB 3.46Å; I452-D455 PolarHBondContact O-N 3.48Å; E453-D455 PolarHBondContact O-N 2.88Å; D455-I458 VanDerWaalsContact C-N 3.31Å; D455-I458 CarbonylContact O-C 3.51Å; D455-I458 WeakPolarHBondContact O-CA 3.2Å; D455-I458 WeakPolarHBondContact O-CB 3.38Å; D455-I458 PolarHBondContact O-N 3.35Å; D455-K459 PolarHBondContact O-N 3.27Å
456	E	43	Very low	55	Low	110 Å²	110	86 Å²	86	51%	0.514	47%	0.471	S	S	.	.	H	α-helix	trans	-107.9	-20.8	-174.8	-103.3	-170.3	178	0	0	109.4	I452 I458 K459	I452-E456 HydrophobicContact CG2-CB 3.86Å; I452-E456 HydrophobicContact CG2-CG 3.42Å; I452-E456 VanDerWaalsContact CG2-CG 3.42Å; I452-E456 VanDerWaalsContact O-CA 3.32Å; I452-E456 WeakPolarHBondContact O-CA 3.21Å; I452-E456 WeakPolarHBondContact O-CB 3.38Å; I452-E456 PolarHBondContact O-N 3.4Å; E456-I458 PolarHBondContact O-N 2.89Å; E456-I458 VanDerWaalsContact O-N 3.1Å; E456-K459 WeakPolarHBondContact CG-O 3.11Å
457	A	45.1	Very low	55.4	Low	89 Å²	89	84.7 Å²	84.7	74%	0.736	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-13.4	141.5	0	0	0	0	0	111.8	E453	E453-A457 WeakPolarHBondContact O-CB 3.39Å; E453-A457 PolarHBondContact O-N 3.35Å
458	I	49.6	Very low	56.2	Low	90 Å²	90	89.5 Å²	89.5	46%	0.462	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-32.6	-178.4	-60.3	175.6	0	0	0	115.2	D455 E456	D455-I458 VanDerWaalsContact C-N 3.31Å; D455-I458 CarbonylContact O-C 3.51Å; D455-I458 WeakPolarHBondContact O-CA 3.2Å; D455-I458 WeakPolarHBondContact O-CB 3.38Å; D455-I458 PolarHBondContact O-N 3.35Å; E456-I458 PolarHBondContact O-N 2.89Å; E456-I458 VanDerWaalsContact O-N 3.1Å
459	K	46.5	Very low	57.4	Low	76 Å²	76	91.4 Å²	91.4	33%	0.33	50%	0.504	S	S	.	.			trans	-178.3	141.7	169.8	-90.4	129.4	178.4	-173.4	0	113	D455 E456 G475 L476	D455-K459 PolarHBondContact O-N 3.27Å; E456-K459 WeakPolarHBondContact CG-O 3.11Å; K459-G475 WeakPolarHBondContact CE-O 3.45Å; K459-G475 PolarHBondContact NZ-O 2.95Å; K459-L476 PolarHBondContact NZ-O 3.23Å
460	G	38	Very low	58.6	Low	52 Å²	52	88.9 Å²	88.9	54%	0.536	49%	0.49	S	S	.	.			trans	-92.5	142	171.7	0	0	0	0	0	114.1
461	F	49.5	Very low	59.8	Low	126 Å²	126	88.5 Å²	88.5	55%	0.553	49%	0.488	S	S	*	.			trans	-161.6	161.2	178	-142.1	-104.8	0	0	0	117.9	H465 L476	F461-H465 HydrophobicContact CE1-CB 3.57Å; F461-H465 HydrophobicContact CE2-CB 4.21Å; F461-H465 AromaticContact CE2-CD2 3.81Å; F461-H465 HydrophobicContact CZ-CB 3.39Å; F461-H465 AromaticContact CZ-CD2 3.28Å; F461-H465 WeakPolarHBondContact CZ-CD2 3.25Å; F461-H465 AromaticContact CZ-CG 3.5Å; F461-L476 HydrophobicContact CE2-CD2 4.47Å
462	S	41	Very low	60.9	Low	78 Å²	78	89.4 Å²	89.4	55%	0.545	49%	0.489	S	S	.	.			trans	-128.6	147.5	177.1	173.3	0	0	0	0	112.3	Q464	S462-Q464 PolarHBondContact O-N 2.94Å; S462-Q464 VanDerWaalsContact O-N 3.12Å
463	P	42.5	Very low	62.1	Low	91 Å²	91	87.4 Å²	87.4	59%	0.591	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-6.6	-163.4	-20.6	33.5	0	0	0	118.9
464	Q	44.4	Very low	63.5	Low	179 Å²	179	85.7 Å²	85.7	84%	0.836	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-0.2	-173.6	-68.2	-177.6	3.1	0	0	114.7	S462	S462-Q464 PolarHBondContact O-N 2.94Å; S462-Q464 VanDerWaalsContact O-N 3.12Å
465	H	65.5	Low	64.7	Low	97 Å²	97	84 Å²	84	45%	0.449	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-77.7	128.6	-174	-177.9	92.1	0	0	0	111.6	F461 E472	F461-H465 HydrophobicContact CE1-CB 3.57Å; F461-H465 HydrophobicContact CE2-CB 4.21Å; F461-H465 AromaticContact CE2-CD2 3.81Å; F461-H465 HydrophobicContact CZ-CB 3.39Å; F461-H465 AromaticContact CZ-CD2 3.28Å; F461-H465 WeakPolarHBondContact CZ-CD2 3.25Å; F461-H465 AromaticContact CZ-CG 3.5Å; H465-E472 IonicContact CD2-OE1 3.79Å; H465-E472 PolarHBondContact CD2-OE1 3.46Å; H465-E472 VanDerWaalsContact CD2-OE1 3.26Å; H465-E472 IonicContact CE1-OE1 3.78Å; H465-E472 IonicContact NE2-OE1 3.26Å; H465-E472 PolarHBondContact NE2-OE1 3.33Å; H465-E472 IonicContact NE2-OE2 3.44Å
466	K	73	Confident	66	Low	176 Å²	176	84 Å²	84	77%	0.765	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-95.2	131.7	174.3	-67.5	-176.6	179.2	-178.2	0	108.9	T468	K466-T468 VanDerWaalsContact O-CG2 3.27Å; K466-T468 WeakPolarHBondContact O-CG2 3.43Å; K466-T468 PolarHBondContact O-N 2.87Å
467	I	80.6	Confident	68	Low	62 Å²	62	79.3 Å²	79.3	32%	0.318	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-61.3	128.1	174.3	-60.9	172.5	0	0	0	109	V315 E472 A473 L476	V315-I467 HydrophobicContact CB-CD1 3.88Å; V315-I467 HydrophobicContact CG1-CD1 4.17Å; V315-I467 HydrophobicContact CG2-CD1 3.96Å; I467-E472 WeakPolarHBondContact CA-OE1 3.23Å; I467-E472 HydrophobicContact CG2-CB 4.33Å; I467-E472 HydrophobicContact CG2-CG 4.46Å; I467-A473 HydrophobicContact CG2-CB 3.87Å; I467-L476 HydrophobicContact CD1-CD1 3.81Å; I467-L476 HydrophobicContact CG1-CD1 3.82Å
468	T	83.4	Confident	69.8	Low	119 Å²	119	81.2 Å²	81.2	73%	0.73	43%	0.425	S	S	*	.			trans	-113.2	-16.2	-171.7	60.7	0	0	0	0	114.7	K466 E472	K466-T468 VanDerWaalsContact O-CG2 3.27Å; K466-T468 WeakPolarHBondContact O-CG2 3.43Å; K466-T468 PolarHBondContact O-N 2.87Å; T468-E472 PolarHBondContact N-OE2 2.79Å; T468-E472 PolarHBondContact OG1-OE2 3.24Å
469	S	88.7	Confident	71.3	Confident	44 Å²	44	80.5 Å²	80.5	31%	0.308	42%	0.422	S	S	.	.	S	Bend	trans	-145.2	164.1	179.9	88.4	0	0	0	0	114	E471 E472 A473	S469-E471 PolarHBondContact OG-N 2.86Å; S469-E471 PolarHBondContact OG-OE2 3.14Å; S469-E472 PolarHBondContact O-N 3.39Å; S469-E472 PolarHBondContact OG-N 2.86Å; S469-A473 PolarHBondContact O-N 3.4Å; S469-A473 VanDerWaalsContact O-N 3.09Å
470	F	91.7	Very high	73.1	Confident	22 Å²	22	79.3 Å²	79.3	10%	0.096	42%	0.419	C	S	.	.	H	α-helix	trans	-59.4	-45.7	174.1	177.4	-91.9	0	0	0	112.2	A284 D286 Y316 N318 E472 A473 K474	A284-F470 HydrophobicContact CB-CE2 4.29Å; A284-F470 HydrophobicContact CB-CZ 4.13Å; A284-F470 WeakPolarHBondContact O-CZ 3.5Å; D286-F470 HydrophobicContact CB-CB 4.31Å; D286-F470 HydrophobicContact CB-CD1 4.05Å; D286-F470 HydrophobicContact CB-CD2 3.9Å; D286-F470 HydrophobicContact CB-CE1 4.4Å; D286-F470 HydrophobicContact CB-CE2 4.24Å; D286-F470 HydrophobicContact CB-CG 3.81Å; D286-F470 HydrophobicContact CB-CZ 4.49Å; Y316-F470 AromaticContact CD1-CD2 3.68Å; Y316-F470 HydrophobicContact CD1-CD2 3.68Å; Y316-F470 AromaticContact CD1-CE2 3.54Å; Y316-F470 HydrophobicContact CD1-CE2 3.54Å; Y316-F470 HydrophobicContact CD1-CG 4.48Å; Y316-F470 HydrophobicContact CD1-CZ 4.21Å; Y316-F470 HydrophobicContact CE1-CE2 4.2Å; Y316-F470 HydrophobicContact CE1-CZ 4.46Å; Y316-F470 HydrophobicContact CG-CD2 4.49Å; N318-F470 HydrophobicContact CB-CD2 3.82Å; N318-F470 HydrophobicContact CB-CE2 3.85Å; F470-E472 VanDerWaalsContact C-N 3.28Å; F470-E472 PolarHBondContact O-N 3.43Å; F470-A473 PolarHBondContact O-N 3.34Å; F470-K474 HydrophobicContact CE1-CD 4.05Å; F470-K474 HydrophobicContact CZ-CD 4.49Å; F470-K474 WeakPolarHBondContact O-CB 3.49Å; F470-K474 PolarHBondContact O-N 3.37Å
471	E	89.9	Confident	75.4	Confident	130 Å²	130	78.3 Å²	78.3	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-64.1	-36.1	179.6	-64.7	74.8	-164.2	0	0	111.9	S469 G475	S469-E471 PolarHBondContact OG-N 2.86Å; S469-E471 PolarHBondContact OG-OE2 3.14Å; E471-G475 PolarHBondContact O-N 3.4Å
472	E	87.2	Confident	77.4	Confident	42 Å²	42	77.1 Å²	77.1	20%	0.196	39%	0.392	C	S	.	.	H	α-helix	trans	-65.9	-49	176.7	-166.9	-164.9	150.8	0	0	110.9	H465 I467 T468 S469 F470 K474 G475 L476	H465-E472 IonicContact CD2-OE1 3.79Å; H465-E472 PolarHBondContact CD2-OE1 3.46Å; H465-E472 VanDerWaalsContact CD2-OE1 3.26Å; H465-E472 IonicContact CE1-OE1 3.78Å; H465-E472 IonicContact NE2-OE1 3.26Å; H465-E472 PolarHBondContact NE2-OE1 3.33Å; H465-E472 IonicContact NE2-OE2 3.44Å; I467-E472 WeakPolarHBondContact CA-OE1 3.23Å; I467-E472 HydrophobicContact CG2-CB 4.33Å; I467-E472 HydrophobicContact CG2-CG 4.46Å; T468-E472 PolarHBondContact N-OE2 2.79Å; T468-E472 PolarHBondContact OG1-OE2 3.24Å; S469-E472 PolarHBondContact O-N 3.39Å; S469-E472 PolarHBondContact OG-N 2.86Å; F470-E472 VanDerWaalsContact C-N 3.28Å; F470-E472 PolarHBondContact O-N 3.43Å; E472-K474 PolarHBondContact O-N 2.91Å; E472-G475 PolarHBondContact O-N 2.79Å; E472-L476 HydrophobicContact CG-CD1 4.48Å; E472-L476 WeakPolarHBondContact O-CG 3.15Å; E472-L476 PolarHBondContact O-N 3.47Å
473	A	82.6	Confident	79.6	Confident	2 Å²	2	75.2 Å²	75.2	2%	0.017	38%	0.375	C	S	.	.	H	α-helix	trans	-57.4	-48.9	175.4	0	0	0	0	0	111.3	V315 Y316 I467 S469 F470 G475 L476 D477	V315-A473 HydrophobicContact CG2-CB 4.34Å; Y316-A473 HydrophobicContact CD1-CB 3.88Å; Y316-A473 HydrophobicContact CD2-CB 3.62Å; Y316-A473 HydrophobicContact CE1-CB 4.16Å; Y316-A473 HydrophobicContact CE2-CB 3.91Å; Y316-A473 HydrophobicContact CG-CB 3.64Å; I467-A473 HydrophobicContact CG2-CB 3.87Å; S469-A473 PolarHBondContact O-N 3.4Å; S469-A473 VanDerWaalsContact O-N 3.09Å; F470-A473 PolarHBondContact O-N 3.34Å; A473-G475 VanDerWaalsContact C-N 3.3Å; A473-G475 PolarHBondContact O-N 3.31Å; A473-L476 PolarHBondContact O-N 2.77Å; A473-D477 VanDerWaalsContact O-CB 3.26Å; A473-D477 WeakPolarHBondContact O-CB 3.42Å; A473-D477 PolarHBondContact O-N 3.35Å
474	K	84.4	Confident	81.7	Confident	83 Å²	83	71.2 Å²	71.2	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-59	-41.4	176.8	-172.1	173.1	-179.2	171.7	0	112.1	Y316 F470 E472 R478	Y316-K474 HydrophobicContact CE1-CB 3.78Å; Y316-K474 HydrophobicContact CE1-CG 4.43Å; F470-K474 HydrophobicContact CE1-CD 4.05Å; F470-K474 HydrophobicContact CZ-CD 4.49Å; F470-K474 WeakPolarHBondContact O-CB 3.49Å; F470-K474 PolarHBondContact O-N 3.37Å; E472-K474 PolarHBondContact O-N 2.91Å; K474-R478 PolarHBondContact O-N 2.79Å; K474-R478 VanDerWaalsContact O-N 3.14Å
475	G	81	Confident	83.5	Confident	35 Å²	35	67.6 Å²	67.6	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-49.3	176.6	0	0	0	0	0	111.8	K459 E471 E472 A473 R478	K459-G475 WeakPolarHBondContact CE-O 3.45Å; K459-G475 PolarHBondContact NZ-O 2.95Å; E471-G475 PolarHBondContact O-N 3.4Å; E472-G475 PolarHBondContact O-N 2.79Å; A473-G475 VanDerWaalsContact C-N 3.3Å; A473-G475 PolarHBondContact O-N 3.31Å; G475-R478 WeakPolarHBondContact O-CB 3.33Å
476	L	78.7	Confident	84	Confident	62 Å²	62	69.1 Å²	69.1	33%	0.325	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-42	179.2	-71.1	171.2	0	0	0	111.8	K459 F461 I467 E472 A473 R478	K459-L476 PolarHBondContact NZ-O 3.23Å; F461-L476 HydrophobicContact CE2-CD2 4.47Å; I467-L476 HydrophobicContact CD1-CD1 3.81Å; I467-L476 HydrophobicContact CG1-CD1 3.82Å; E472-L476 HydrophobicContact CG-CD1 4.48Å; E472-L476 WeakPolarHBondContact O-CG 3.15Å; E472-L476 PolarHBondContact O-N 3.47Å; A473-L476 PolarHBondContact O-N 2.77Å; L476-R478 VanDerWaalsContact C-N 3.33Å; L476-R478 PolarHBondContact O-N 2.83Å
477	D	85.4	Confident	83.3	Confident	11 Å²	11	70.4 Å²	70.4	6%	0.059	34%	0.343	C	S	.	.	H	α-helix	trans	-82.1	-6.1	-174.3	-164.8	41.8	0	0	0	114.8	R123 L313 Y316 A473 I479 N480 E481	R123-D477 IonicContact CZ-OD1 2.72Å; R123-D477 IonicContact CZ-OD2 3.8Å; R123-D477 IonicContact NH1-OD2 3.09Å; R123-D477 IonicContact NH2-OD1 3.86Å; R123-D477 PolarHBondContact NH2-OD1 2.9Å; R123-D477 IonicContact NH2-OD2 2.82Å; R123-D477 PolarHBondContact NH2-OD2 3.24Å; L313-D477 WeakPolarHBondContact CD1-OD2 3.24Å; Y316-D477 HydrophobicContact CE2-CB 4.13Å; Y316-D477 WeakPolarHBondContact OH-CB 3.15Å; Y316-D477 PolarHBondContact OH-OD2 3.34Å; A473-D477 VanDerWaalsContact O-CB 3.26Å; A473-D477 WeakPolarHBondContact O-CB 3.42Å; A473-D477 PolarHBondContact O-N 3.35Å; D477-I479 PolarHBondContact O-N 2.86Å; D477-N480 WeakPolarHBondContact O-CB 3.48Å; D477-N480 PolarHBondContact O-N 2.85Å; D477-N480 WeakPolarHBondContact OD1-CB 3.2Å; D477-N480 PolarHBondContact OD1-ND2 2.86Å; D477-E481 PolarHBondContact O-N 2.72Å
478	R	81.5	Confident	81.6	Confident	128 Å²	128	74.8 Å²	74.8	48%	0.483	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-30.4	-177.3	-173.8	179.9	-179.8	-169	2.6	115.2	K474 G475 L476 E481	K474-R478 PolarHBondContact O-N 2.79Å; K474-R478 VanDerWaalsContact O-N 3.14Å; G475-R478 WeakPolarHBondContact O-CB 3.33Å; L476-R478 VanDerWaalsContact C-N 3.33Å; L476-R478 PolarHBondContact O-N 2.83Å; R478-E481 PolarHBondContact O-N 2.9Å
479	I	81.9	Confident	79.6	Confident	76 Å²	76	72.8 Å²	72.8	39%	0.39	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-34.6	179.1	-162.1	164.2	0	0	0	112.1	D477 E481 R482	D477-I479 PolarHBondContact O-N 2.86Å; I479-E481 PolarHBondContact O-N 3.25Å; I479-R482 WeakPolarHBondContact O-CB 3.2Å; I479-R482 PolarHBondContact O-N 3.43Å
480	N	84.8	Confident	76.9	Confident	51 Å²	51	77 Å²	77	27%	0.273	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.4	178.9	-59	-42.5	0	0	0	112	F161 D477 R482	F161-N480 HydrophobicContact CE1-CB 4.03Å; F161-N480 HydrophobicContact CZ-CB 4.2Å; F161-N480 WeakPolarHBondContact CZ-O 3.37Å; D477-N480 WeakPolarHBondContact O-CB 3.48Å; D477-N480 PolarHBondContact O-N 2.85Å; D477-N480 WeakPolarHBondContact OD1-CB 3.2Å; D477-N480 PolarHBondContact OD1-ND2 2.86Å; N480-R482 VanDerWaalsContact C-N 3.28Å
481	E	85.5	Confident	74	Confident	30 Å²	30	81.3 Å²	81.3	14%	0.14	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7	171.6	-65.7	-55.1	136.5	0	0	112.7	R123 R255 D477 R478 I479	R123-E481 IonicContact NH1-OE1 3.23Å; R123-E481 PolarHBondContact NH1-OE1 3.22Å; R255-E481 WeakPolarHBondContact CD-O 3.3Å; R255-E481 IonicContact CZ-OE2 3.25Å; R255-E481 PolarHBondContact NH1-O 3.02Å; R255-E481 IonicContact NH1-OE2 3.87Å; R255-E481 PolarHBondContact NH1-OE2 3.49Å; R255-E481 IonicContact NH2-OE2 3.33Å; D477-E481 PolarHBondContact O-N 2.72Å; R478-E481 PolarHBondContact O-N 2.9Å; I479-E481 PolarHBondContact O-N 3.25Å
482	R	90.9	Very high	71.3	Confident	101 Å²	101	79.5 Å²	79.5	38%	0.381	41%	0.413	S	S	.	.	S	Bend	trans	-84.5	153.2	176.3	-69.3	175.9	84.3	89	3	111.9	T253 V254 R255 I479 N480 P484	T253-R482 PolarHBondContact O-NH1 3.34Å; V254-R482 WeakPolarHBondContact O-CG 3.3Å; R255-R482 WeakPolarHBondContact O-CA 3.34Å; I479-R482 WeakPolarHBondContact O-CB 3.2Å; I479-R482 PolarHBondContact O-N 3.43Å; N480-R482 VanDerWaalsContact C-N 3.28Å; R482-P484 WeakPolarHBondContact O-CD 3.33Å
483	M	88.4	Confident	69	Low	38 Å²	38	83.1 Å²	83.1	19%	0.187	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-61	127.1	163.9	-177	176.8	-77.9	0	0	109.5	A224 W233 R255 C257	A224-M483 HydrophobicContact CB-SD 4.42Å; W233-M483 HydrophobicContact CD2-CE 4.17Å; W233-M483 HydrophobicContact CG-CE 4.44Å; W233-M483 HydrophobicContact CH2-CB 3.92Å; W233-M483 HydrophobicContact CH2-CG 4.46Å; W233-M483 HydrophobicContact CZ2-CB 4.25Å; W233-M483 HydrophobicContact CZ2-CE 3.92Å; W233-M483 HydrophobicContact CZ2-CG 4.36Å; W233-M483 HydrophobicContact CZ3-CB 4.18Å; R255-M483 PolarHBondContact O-N 2.88Å; C257-M483 HydrophobicContact CB-CB 4.41Å; C257-M483 HydrophobicContact CB-CE 3.91Å; C257-M483 HydrophobicContact CB-SD 3.93Å; C257-M483 WeakPolarHBondContact SG-CE 3.48Å
484	P	86.6	Confident	66.7	Low	7 Å²	7	86.2 Å²	86.2	5%	0.045	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-62	153.5	178.7	-24.8	34.3	0	0	0	112.7	H156 L157 Y160 R482	H156-P484 PolarHBondContact CE1-O 3.36Å; H156-P484 PolarHBondContact NE2-O 3.21Å; L157-P484 HydrophobicContact CD1-CG 4.16Å; L157-P484 HydrophobicContact CG-CG 4.35Å; Y160-P484 HydrophobicContact CD1-CB 3.95Å; Y160-P484 HydrophobicContact CD1-CG 3.52Å; Y160-P484 HydrophobicContact CD2-CB 3.69Å; Y160-P484 HydrophobicContact CD2-CG 4.19Å; Y160-P484 HydrophobicContact CE1-CB 4.38Å; Y160-P484 HydrophobicContact CE1-CG 4.13Å; Y160-P484 HydrophobicContact CE2-CB 4.15Å; Y160-P484 HydrophobicContact CG-CB 3.58Å; Y160-P484 HydrophobicContact CG-CG 3.55Å; R482-P484 WeakPolarHBondContact O-CD 3.33Å
485	P	83	Confident	64.3	Low	104 Å²	104	85.4 Å²	85.4	68%	0.675	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-60.6	141.8	174.9	-20.9	32.1	0	0	0	112.3	H156	H156-P485 PolarHBondContact CE1-O 3.22Å
486	R	74.8	Confident	62	Low	128 Å²	128	88.4 Å²	88.4	48%	0.483	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-74.9	143.4	172.7	-72.1	-179.9	164.8	-163.5	-14.1	110.8	D488 A489	R486-D488 PolarHBondContact O-N 2.84Å; R486-A489 WeakPolarHBondContact O-CB 3.24Å; R486-A489 PolarHBondContact O-N 2.69Å; R486-A489 VanDerWaalsContact O-N 3.1Å
487	R	58.1	Low	59.9	Low	203 Å²	203	90.9 Å²	90.9	77%	0.766	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-55.9	-31.6	175.5	-85.7	-178.6	166.5	159.8	0.1	113.6	E159 A489 L490	E159-R487 IonicContact OE2-NH1 3.87Å; R487-A489 PolarHBondContact O-N 3.46Å; R487-L490 PolarHBondContact O-N 3.27Å
488	D	46	Very low	57.5	Low	154 Å²	154	94 Å²	94	82%	0.824	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-73.8	-6.2	-179.2	-57.3	-33.2	0	0	0	114.3	R486	R486-D488 PolarHBondContact O-N 2.84Å
489	A	39.8	Very low	55.2	Low	77 Å²	77	93.2 Å²	93.2	64%	0.636	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-91	-3	176.7	0	0	0	0	0	113.4	R486 R487	R486-A489 WeakPolarHBondContact O-CB 3.24Å; R486-A489 PolarHBondContact O-N 2.69Å; R486-A489 VanDerWaalsContact O-N 3.1Å; R487-A489 PolarHBondContact O-N 3.46Å
490	L	33.3	Very low	52.9	Low	134 Å²	134	94.4 Å²	94.4	70%	0.702	52%	0.519	S	S	*	.	S	Bend	trans	-74.5	125	167.3	-72.8	165.1	0	0	0	108	R487 S492	R487-L490 PolarHBondContact O-N 3.27Å; L490-S492 PolarHBondContact O-N 3.07Å; L490-S492 VanDerWaalsContact O-N 3.07Å
491	P	30.7	Very low	50.5	Low	111 Å²	111	101.9 Å²	101.9	72%	0.721	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-53.9	122.6	170.2	-18.5	29.2	0	0	0	107.9	D493	P491-D493 PolarHBondContact O-N 3.13Å
492	S	33	Very low	48.1	Very low	92 Å²	92	103.4 Å²	103.4	64%	0.643	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-48.1	142.7	174	60.3	0	0	0	0	110.1	L490 A494	L490-S492 PolarHBondContact O-N 3.07Å; L490-S492 VanDerWaalsContact O-N 3.07Å; S492-A494 PolarHBondContact O-N 3.09Å
493	D	38.1	Very low	45.5	Very low	118 Å²	118	104.7 Å²	104.7	63%	0.631	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.3	7.5	175.6	-101.2	-34.2	0	0	0	117.5	P491 S495 L496	P491-D493 PolarHBondContact O-N 3.13Å; D493-S495 VanDerWaalsContact C-N 3.26Å; D493-S495 PolarHBondContact O-N 2.89Å; D493-L496 PolarHBondContact O-N 3.43Å; D493-L496 VanDerWaalsContact OD1-CD1 3.3Å; D493-L496 WeakPolarHBondContact OD1-CD1 3.39Å
494	A	33.8	Very low	42.9	Very low	67 Å²	67	107 Å²	107	55%	0.554	60%	0.595	S	S	*	*	H	α-helix	trans	-65.3	-22.3	174.9	0	0	0	0	0	113.7	S492 S498	S492-A494 PolarHBondContact O-N 3.09Å; A494-S498 PolarHBondContact O-OG 3.32Å
495	S	34	Very low	40.4	Very low	67 Å²	67	111.1 Å²	111.1	47%	0.469	62%	0.624	S	S	.	*	H	α-helix	trans	-82.3	-22.9	177.7	55.4	0	0	0	0	114	D493 S498	D493-S495 VanDerWaalsContact C-N 3.26Å; D493-S495 PolarHBondContact O-N 2.89Å; S495-S498 PolarHBondContact O-OG 3.5Å; S495-S498 VanDerWaalsContact O-OG 3.07Å
496	L	34.3	Very low	38	Very low	98 Å²	98	114.4 Å²	114.4	51%	0.513	63%	0.631	S	S	.	*	H	α-helix	trans	-79.6	-28.3	176.3	-84	158.3	0	0	0	112.3	D493 N500	D493-L496 PolarHBondContact O-N 3.43Å; D493-L496 VanDerWaalsContact OD1-CD1 3.3Å; D493-L496 WeakPolarHBondContact OD1-CD1 3.39Å; L496-N500 PolarHBondContact O-N 3.41Å; L496-N500 PolarHBondContact O-ND2 2.89Å
497	N	33.3	Very low	36.2	Very low	114 Å²	114	113.9 Å²	113.9	61%	0.61	64%	0.642	S	S	*	*	H	α-helix	trans	-76.3	-24.5	177.3	-78.3	-32.3	0	0	0	113.8	R501	N497-R501 PolarHBondContact O-N 3.47Å
498	S	35	Very low	34.9	Very low	75 Å²	75	112.7 Å²	112.7	52%	0.524	65%	0.65	S	S	.	*	H	α-helix	trans	-78.2	-32.8	174.7	35	0	0	0	0	112.5	A494 S495	A494-S498 PolarHBondContact O-OG 3.32Å; S495-S498 PolarHBondContact O-OG 3.5Å; S495-S498 VanDerWaalsContact O-OG 3.07Å
499	L	34.1	Very low	34	Very low	112 Å²	112	108.9 Å²	108.9	59%	0.586	65%	0.648	S	S	*	*	H	α-helix	trans	-69.3	-39.5	172.9	-92.6	144	0	0	0	112.7	R501 A502 L503	L499-R501 VanDerWaalsContact C-N 3.3Å; L499-R501 PolarHBondContact O-N 2.93Å; L499-A502 PolarHBondContact O-N 3.25Å; L499-L503 PolarHBondContact O-N 2.91Å
500	N	33.1	Very low	33.6	Very low	101 Å²	101	112.1 Å²	112.1	54%	0.54	66%	0.66	S	S	.	*	H	α-helix	trans	-68.2	-27.6	177.3	-78.7	-28.1	0	0	0	113.4	L496 S504	L496-N500 PolarHBondContact O-N 3.41Å; L496-N500 PolarHBondContact O-ND2 2.89Å; N500-S504 PolarHBondContact O-N 3.15Å; N500-S504 PolarHBondContact O-OG 2.81Å
501	R	34.2	Very low	33.5	Very low	208 Å²	208	114 Å²	114	79%	0.785	67%	0.67	S	S	*	*	H	α-helix	trans	-73.1	-29.3	176	-119.2	-178	-173.5	-173.4	2.4	113.4	N497 L499 S504	N497-R501 PolarHBondContact O-N 3.47Å; L499-R501 VanDerWaalsContact C-N 3.3Å; L499-R501 PolarHBondContact O-N 2.93Å; R501-S504 PolarHBondContact O-OG 3.41Å; R501-S504 VanDerWaalsContact O-OG 3.06Å
502	A	36.3	Very low	33.4	Very low	62 Å²	62	114.1 Å²	114.1	51%	0.512	67%	0.674	S	S	.	*	H	α-helix	trans	-77.4	-28	177.5	0	0	0	0	0	112.8	L499 S505	L499-A502 PolarHBondContact O-N 3.25Å; A502-S505 PolarHBondContact O-OG 3.49Å
503	L	35.2	Very low	33.3	Very low	129 Å²	129	120 Å²	120	68%	0.675	69%	0.688	S	S	*	*	H	α-helix	trans	-84.2	-19.6	178.7	-74.5	160.2	0	0	0	113.5	L499	L499-L503 PolarHBondContact O-N 2.91Å
504	S	34.6	Very low	32.8	Very low	86 Å²	86	117.5 Å²	117.5	60%	0.601	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-6.6	176.6	50.4	0	0	0	0	114.9	N500 R501	N500-S504 PolarHBondContact O-N 3.15Å; N500-S504 PolarHBondContact O-OG 2.81Å; R501-S504 PolarHBondContact O-OG 3.41Å; R501-S504 VanDerWaalsContact O-OG 3.06Å
505	S	33.8	Very low	32.5	Very low	94 Å²	94	119.6 Å²	119.6	66%	0.657	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-1.2	-176.6	51.9	0	0	0	0	115.7	A502	A502-S505 PolarHBondContact O-OG 3.49Å
506	E	33.7	Very low	32.3	Very low	173 Å²	173	122.3 Å²	122.3	81%	0.808	72%	0.715	S	S	*	*	S	Bend	trans	-109.2	8.6	-174.3	-76.9	-157	153.2	0	0	116.5
507	T	35.8	Very low	32.1	Very low	117 Å²	117	122.7 Å²	122.7	72%	0.718	73%	0.725	S	S	*	*	S	Bend	trans	-135.3	77	176.5	48.6	0	0	0	0	112.8
508	N	30.2	Very low	32	Very low	177 Å²	177	122.3 Å²	122.3	95%	0.947	74%	0.739	S	S	*	*			trans	-166.9	112.8	147.5	-96.4	-24.2	0	0	0	110.2
509	G	27.1	Very low	31.7	Very low	75 Å²	75	121.9 Å²	121.9	77%	0.773	75%	0.746	S	S	*	*			trans	171.1	66.9	174.8	0	0	0	0	0	113.5	D511	G509-D511 PolarHBondContact O-N 3.22Å
510	T	32.2	Very low	31.6	Very low	144 Å²	144	122.5 Å²	122.5	88%	0.883	76%	0.76	S	S	*	*			trans	-64.6	118.1	162.2	40.5	0	0	0	0	110	S512	T510-S512 PolarHBondContact O-N 3.14Å
511	D	30.5	Very low	31.4	Very low	173 Å²	173	121.7 Å²	121.7	93%	0.925	78%	0.775	S	S	*	*			trans	-67.6	118	168.8	-89.2	-33.2	0	0	0	111	G509	G509-D511 PolarHBondContact O-N 3.22Å
512	S	29	Very low	31.2	Very low	114 Å²	114	115 Å²	115	80%	0.797	77%	0.771	S	S	*	*			trans	-128.1	132.9	155	68.3	0	0	0	0	108.9	T510	T510-S512 PolarHBondContact O-N 3.14Å
513	K	30.7	Very low	30.9	Very low	216 Å²	216	117.2 Å²	117.2	94%	0.939	78%	0.782	S	S	*	*			trans	-58.3	148.1	-171.7	-66.8	173.7	174.3	177.2	0	113.8
514	G	28.6	Very low	30.9	Very low	66 Å²	66	118.4 Å²	118.4	68%	0.68	79%	0.788	S	S	*	*			trans	154.9	89.7	147.6	0	0	0	0	0	117.8
515	S	27.5	Very low	30.9	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	82%	0.818	S	S	*	*			trans	53.1	145.1	137.6	61.6	0	0	0	0	123.9
516	T	29.7	Very low	30.8	Very low	124 Å²	124	128.5 Å²	128.5	76%	0.761	83%	0.826	S	S	*	*			trans	89.5	95.6	151.3	45.7	0	0	0	0	121.5
517	S	29	Very low	30.6	Very low	106 Å²	106	126.1 Å²	126.1	74%	0.741	83%	0.827	S	S	*	*				49.5	120.9	118	64.1	0	0	0	0	123.2
518	A	31.1	Very low	30.3	Very low	107 Å²	107	126.6 Å²	126.6	88%	0.884	83%	0.833	S	S	*	*				83.1	135.5	128.4	0	0	0	0	0	122.1
519	G	30.3	Very low	30.3	Very low	66 Å²	66	123.6 Å²	123.6	68%	0.68	83%	0.826	S	S	*	*			trans	110.5	93.1	154.3	0	0	0	0	0	114.5
520	S	30.3	Very low	30.5	Very low	125 Å²	125	126.7 Å²	126.7	87%	0.874	83%	0.829	S	S	*	*				68.6	115.2	85.6	71.6	0	0	0	0	115.8
521	G	30.5	Very low	30.4	Very low	83 Å²	83	125.5 Å²	125.5	86%	0.856	83%	0.826	S	S	*	*			trans	111.5	124.1	137.8	0	0	0	0	0	118.2
522	G	30.1	Very low	30.4	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	82%	0.819	S	S	*	*				103.6	95.2	127.6	0	0	0	0	0	119
523	S	28.7	Very low	30.5	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	82%	0.82	S	S	*	*				52	120.5	116.3	-45.3	0	0	0	0	121.9
524	I	34.8	Very low	30.5	Very low	155 Å²	155	115 Å²	115	80%	0.795	81%	0.81	S	S	*	*			trans	72.3	107.9	135	-52.4	161.7	0	0	0	117.1
525	Q	35.4	Very low	30.7	Very low	262 Å²	262	119.5 Å²	119.5	100%	1.224	82%	0.822	S	S	*	*				-164.3	0	97.4	-137.9	169.4	16.3	0	0	111.2

Retrieved 525 of 525 residues in 242.8 ms (Link to these results)

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