A0A096M063_POEFO Loading...

GRB2 associated regulator of MAPK1 subtype 2

AlphaFold DB , UniProt , Accession A0A096M063, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 592 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	36.3	Very low	39.6	Very low	150 Å²	150	61.5 Å²	61.5	74%	0.739	36%	0.36	S	S	*	.				0	103.9	0	-69.4	175.5	176	0	0	108.7	S182	M1-S182 WeakPolarHBondContact CE-OG 3.4Å
2	C	30.8	Very low	39.2	Very low	62 Å²	62	69 Å²	69	42%	0.419	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-133.2	95	171.9	-68.6	0	0	0	0	106.7	A4 L157	C2-A4 PolarHBondContact O-N 3.03Å; C2-L157 WeakPolarHBondContact CA-O 3.41Å
3	V	37.9	Very low	39	Very low	45 Å²	45	72.5 Å²	72.5	27%	0.273	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125	176.3	-177.4	0	0	0	0	107.6	L5 L155 L157 A181	V3-L5 HydrophobicContact CG1-CD1 3.7Å; V3-L155 VanDerWaalsContact O-O 3.13Å; V3-L157 HydrophobicContact CB-CB 4.03Å; V3-L157 PolarHBondContact N-O 3.4Å; V3-L157 PolarHBondContact O-N 2.86Å; V3-A181 HydrophobicContact CG2-CB 3.81Å
4	A	39.3	Very low	38.7	Very low	26 Å²	26	73.5 Å²	73.5	22%	0.215	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.3	173	0	0	0	0	0	108.9	C2 F6 L155	C2-A4 PolarHBondContact O-N 3.03Å; A4-F6 HydrophobicContact CB-CE2 3.82Å; A4-F6 HydrophobicContact CB-CZ 4.12Å; A4-L155 WeakPolarHBondContact CA-O 3.37Å
5	L	42.6	Very low	38.3	Very low	79 Å²	79	77.1 Å²	77.1	41%	0.414	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.8	167.5	-107.8	75.1	0	0	0	110.2	V3 C154 L155 L188	V3-L5 HydrophobicContact CG1-CD1 3.7Å; L5-C154 WeakPolarHBondContact O-CA 3.37Å; L5-L155 PolarHBondContact N-O 3.27Å; L5-L155 PolarHBondContact O-N 2.88Å; L5-L188 HydrophobicContact CB-CD2 4.09Å; L5-L188 HydrophobicContact CD1-CD2 3.6Å; L5-L188 HydrophobicContact CD2-CD2 3.64Å; L5-L188 HydrophobicContact CG-CD2 3.94Å
6	F	41.5	Very low	38	Very low	47 Å²	47	80.8 Å²	80.8	21%	0.206	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.4	-179.6	-62.9	-94.5	0	0	0	109.1	A4 V135 C154 F176 V178	A4-F6 HydrophobicContact CB-CE2 3.82Å; A4-F6 HydrophobicContact CB-CZ 4.12Å; F6-V135 HydrophobicContact CB-CG2 4.14Å; F6-V135 HydrophobicContact CD2-CB 4.23Å; F6-V135 HydrophobicContact CD2-CG1 3.98Å; F6-V135 HydrophobicContact CD2-CG2 3.93Å; F6-V135 HydrophobicContact CE2-CG1 4.2Å; F6-V135 HydrophobicContact CG-CG2 4.34Å; F6-C154 WeakPolarHBondContact CD1-SG 3.32Å; F6-C154 WeakPolarHBondContact CE1-SG 3.5Å; F6-F176 HydrophobicContact CD1-CE2 4.45Å; F6-F176 HydrophobicContact CE1-CD1 4.25Å; F6-F176 AromaticContact CE1-CD2 3.45Å; F6-F176 HydrophobicContact CE1-CD2 3.45Å; F6-F176 VanDerWaalsContact CE1-CD2 3.45Å; F6-F176 HydrophobicContact CE1-CE1 4.33Å; F6-F176 AromaticContact CE1-CE2 3.54Å; F6-F176 HydrophobicContact CE1-CE2 3.54Å; F6-F176 AromaticContact CE1-CG 3.82Å; F6-F176 HydrophobicContact CE1-CG 3.82Å; F6-F176 AromaticContact CE1-CZ 4Å; F6-F176 HydrophobicContact CE1-CZ 4Å; F6-F176 HydrophobicContact CZ-CB 3.97Å; F6-F176 HydrophobicContact CZ-CD1 4.23Å; F6-F176 AromaticContact CZ-CD2 3.76Å; F6-F176 HydrophobicContact CZ-CD2 3.76Å; F6-F176 HydrophobicContact CZ-CE2 4.29Å; F6-F176 AromaticContact CZ-CG 3.72Å; F6-F176 HydrophobicContact CZ-CG 3.72Å; F6-V178 HydrophobicContact CE2-CG2 4.36Å
7	Q	41.6	Very low	38	Very low	92 Å²	92	81.9 Å²	81.9	43%	0.43	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112	171.2	-170.9	169.1	-14.1	0	0	109	V9 L153	Q7-V9 HydrophobicContact CG-CG2 4.01Å; Q7-V9 PolarHBondContact O-N 3.44Å; Q7-L153 PolarHBondContact N-O 2.86Å; Q7-L153 WeakPolarHBondContact O-CB 3.4Å; Q7-L153 PolarHBondContact O-N 3.5Å
8	V	42	Very low	38	Very low	77 Å²	77	85.9 Å²	85.9	47%	0.467	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	93.9	-178.3	-178.8	0	0	0	0	109.2	S10 T150 V152	V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 2.69Å; V8-S10 VanDerWaalsContact O-N 3.11Å; V8-T150 HydrophobicContact CG1-CG2 4.32Å; V8-V152 HydrophobicContact CG1-CG2 4.42Å; V8-V152 HydrophobicContact CG2-CG1 4.3Å; V8-V152 HydrophobicContact CG2-CG2 4.39Å
9	V	43.3	Very low	38.2	Very low	8 Å²	8	86.5 Å²	86.5	5%	0.048	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	73.9	-178	-171.6	0	0	0	0	110.7	Q7 G11 L153 P199 D200 S203	Q7-V9 HydrophobicContact CG-CG2 4.01Å; Q7-V9 PolarHBondContact O-N 3.44Å; V9-G11 PolarHBondContact O-N 2.74Å; V9-G11 VanDerWaalsContact O-N 3.09Å; V9-L153 HydrophobicContact CG2-CD1 3.99Å; V9-P199 HydrophobicContact CG2-CB 4.08Å; V9-D200 WeakPolarHBondContact CG1-OD1 3.15Å; V9-S203 WeakPolarHBondContact CG1-OG 3.41Å; V9-S203 PolarHBondContact O-OG 3.1Å
10	S	40.2	Very low	38.5	Very low	58 Å²	58	88.8 Å²	88.8	41%	0.406	49%	0.485	S	S	.	.			trans	-82.7	75.5	177.2	-171.9	0	0	0	0	112	V8	V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 2.69Å; V8-S10 VanDerWaalsContact O-N 3.11Å
11	G	39.6	Very low	38.8	Very low	33 Å²	33	90.2 Å²	90.2	34%	0.34	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-78.6	121.2	168.3	0	0	0	0	0	111.5	V9 F13 R207	V9-G11 PolarHBondContact O-N 2.74Å; V9-G11 VanDerWaalsContact O-N 3.09Å; G11-F13 PolarHBondContact O-N 3.31Å; G11-R207 PolarHBondContact O-NH1 2.78Å
12	E	34.8	Very low	39.8	Very low	151 Å²	151	86.1 Å²	86.1	71%	0.706	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-60.7	118.8	169.6	-73.2	146.2	-157.1	0	0	109.6	R124	E12-R124 IonicContact OE1-CZ 3.74Å; E12-R124 IonicContact OE1-NH2 3.95Å; E12-R124 PolarHBondContact OE1-NH2 2.68Å; E12-R124 IonicContact OE2-CZ 2.76Å; E12-R124 IonicContact OE2-NH2 3.93Å; E12-R124 PolarHBondContact OE2-NH2 2.69Å
13	F	36.4	Very low	40.9	Very low	114 Å²	114	89.3 Å²	89.3	50%	0.5	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-102.3	118.4	-179.7	-179.8	-108.5	0	0	0	109.8	G11 E15	G11-F13 PolarHBondContact O-N 3.31Å; F13-E15 HydrophobicContact CD1-CB 4.18Å; F13-E15 HydrophobicContact CE1-CB 3.68Å; F13-E15 HydrophobicContact CE1-CG 3.62Å; F13-E15 HydrophobicContact CZ-CB 4.44Å; F13-E15 HydrophobicContact CZ-CG 4.27Å
14	S	35.1	Very low	42.2	Very low	87 Å²	87	88.5 Å²	88.5	61%	0.608	49%	0.492	S	S	*	.			trans	-100.3	105.7	172.7	177.8	0	0	0	0	108.4	D16	S14-D16 PolarHBondContact O-N 3.04Å
15	E	32.2	Very low	43.1	Very low	127 Å²	127	92.5 Å²	92.5	59%	0.593	51%	0.506	S	S	*	.			trans	-72	-14.8	-171.1	-158.8	151.4	164.5	0	0	113	F13 S17	F13-E15 HydrophobicContact CD1-CB 4.18Å; F13-E15 HydrophobicContact CE1-CB 3.68Å; F13-E15 HydrophobicContact CE1-CG 3.62Å; F13-E15 HydrophobicContact CZ-CB 4.44Å; F13-E15 HydrophobicContact CZ-CG 4.27Å; E15-S17 PolarHBondContact O-N 3.02Å
16	D	34.2	Very low	43.9	Very low	137 Å²	137	92 Å²	92	73%	0.733	51%	0.514	S	S	*	.			trans	-88.3	45.6	-170.3	-64.5	-60.8	0	0	0	115.9	S14	S14-D16 PolarHBondContact O-N 3.04Å
17	S	37.3	Very low	44.9	Very low	99 Å²	99	92.3 Å²	92.3	69%	0.692	53%	0.529	S	S	*	.			trans	-147.3	49.4	-172.3	-72.8	0	0	0	0	118.1	E15 S19	E15-S17 PolarHBondContact O-N 3.02Å; S17-S19 PolarHBondContact O-N 2.88Å; S17-S19 VanDerWaalsContact O-N 3.17Å
18	E	38.2	Very low	46.3	Very low	154 Å²	154	88 Å²	88	72%	0.72	51%	0.51	S	S	*	.			trans	-69.5	109.1	167.1	-73.5	-163.5	125.7	0	0	113	P44	E18-P44 VanDerWaalsContact OE2-CD 3.31Å; E18-P44 WeakPolarHBondContact OE2-CD 3.38Å; E18-P44 WeakPolarHBondContact OE2-CG 3.32Å
19	S	41.9	Very low	47.9	Very low	97 Å²	97	87.1 Å²	87.1	68%	0.678	50%	0.5	S	S	*	.	S	Bend	trans	67.9	59.9	156	69.4	0	0	0	0	119.2	S17	S17-S19 PolarHBondContact O-N 2.88Å; S17-S19 VanDerWaalsContact O-N 3.17Å
20	Y	45.5	Very low	49.6	Very low	132 Å²	132	87 Å²	87	52%	0.518	50%	0.499	S	S	.	.			trans	-136.5	50.7	140.5	-136.2	-88.8	0	0	0	112.3	F22 L38	Y20-F22 HydrophobicContact CD1-CD1 4.06Å; Y20-F22 HydrophobicContact CD1-CE1 4.28Å; Y20-F22 WeakPolarHBondContact O-CD1 3.43Å; Y20-F22 PolarHBondContact O-N 3.15Å; Y20-L38 HydrophobicContact CD1-CD2 3.97Å; Y20-L38 HydrophobicContact CD2-CD2 3.6Å; Y20-L38 HydrophobicContact CD2-CG 4.25Å; Y20-L38 HydrophobicContact CE1-CD1 4.12Å; Y20-L38 HydrophobicContact CE1-CD2 4.12Å; Y20-L38 HydrophobicContact CE2-CD1 4.09Å; Y20-L38 HydrophobicContact CE2-CD2 3.75Å; Y20-L38 HydrophobicContact CE2-CG 3.91Å; Y20-L38 HydrophobicContact CG-CD2 3.71Å
21	S	43.1	Very low	51.4	Low	120 Å²	120	86.3 Å²	86.3	84%	0.839	49%	0.494	S	S	*	.			trans	-76.6	101	-174.7	54.5	0	0	0	0	112.5
22	F	57.6	Low	53.3	Low	64 Å²	64	88.1 Å²	88.1	28%	0.281	50%	0.496	S	S	.	.			trans	-114.7	137.9	162.7	57.4	-93.4	0	0	0	109.3	Y20 L24 V79 S80 L81	Y20-F22 HydrophobicContact CD1-CD1 4.06Å; Y20-F22 HydrophobicContact CD1-CE1 4.28Å; Y20-F22 WeakPolarHBondContact O-CD1 3.43Å; Y20-F22 PolarHBondContact O-N 3.15Å; F22-L24 HydrophobicContact CD2-CD1 4.42Å; F22-L24 HydrophobicContact CD2-CD2 4.3Å; F22-L24 HydrophobicContact CD2-CG 3.93Å; F22-L24 HydrophobicContact CE2-CD1 4.06Å; F22-L24 HydrophobicContact CE2-CG 4.05Å; F22-V79 HydrophobicContact CB-CG1 3.97Å; F22-V79 HydrophobicContact CD1-CG1 3.95Å; F22-V79 HydrophobicContact CD2-CG1 3.42Å; F22-V79 VanDerWaalsContact CD2-CG1 3.42Å; F22-V79 HydrophobicContact CE1-CG1 4.33Å; F22-V79 HydrophobicContact CE2-CG1 3.87Å; F22-V79 HydrophobicContact CG-CG1 3.49Å; F22-V79 VanDerWaalsContact CG-CG1 3.49Å; F22-V79 HydrophobicContact CZ-CG1 4.31Å; F22-S80 WeakPolarHBondContact CE1-O 3.49Å; F22-L81 HydrophobicContact CD2-CD2 4.3Å; F22-L81 HydrophobicContact CE1-CD2 4.28Å; F22-L81 HydrophobicContact CE2-CD2 3.39Å; F22-L81 HydrophobicContact CZ-CD2 3.39Å
23	T	55.3	Low	55.4	Low	128 Å²	128	86.2 Å²	86.2	79%	0.785	49%	0.489	S	S	*	.			trans	-103.7	99.7	-179.5	41.8	0	0	0	0	110.8
24	L	63.8	Low	57.4	Low	28 Å²	28	82.1 Å²	82.1	15%	0.147	48%	0.479	C	S	.	.			trans	-78.5	150.9	165.1	-57.9	-178.8	0	0	0	109.9	F22 D28 L30 N72 V79 L81 V119 V121	F22-L24 HydrophobicContact CD2-CD1 4.42Å; F22-L24 HydrophobicContact CD2-CD2 4.3Å; F22-L24 HydrophobicContact CD2-CG 3.93Å; F22-L24 HydrophobicContact CE2-CD1 4.06Å; F22-L24 HydrophobicContact CE2-CG 4.05Å; L24-D28 VanDerWaalsContact CA-OD2 3.28Å; L24-D28 WeakPolarHBondContact CA-OD2 3.44Å; L24-D28 HydrophobicContact CD2-CB 4.47Å; L24-L30 HydrophobicContact CD1-CD1 4.24Å; L24-L30 HydrophobicContact CD2-CD2 4.35Å; L24-N72 WeakPolarHBondContact CD2-ND2 3.35Å; L24-V79 HydrophobicContact CD2-CG2 4.45Å; L24-L81 HydrophobicContact CD1-CD2 4.3Å; L24-V119 HydrophobicContact CD1-CB 4.11Å; L24-V119 HydrophobicContact CD1-CG1 3.82Å; L24-V119 HydrophobicContact CD1-CG2 3.98Å; L24-V121 HydrophobicContact CB-CG2 3.97Å; L24-V121 WeakPolarHBondContact O-CG2 3.46Å
25	Q	58.1	Low	59.6	Low	110 Å²	110	85.1 Å²	85.1	51%	0.514	48%	0.481	S	S	.	.			trans	-105.9	163.5	165.7	-67.2	178.6	-19.3	0	0	109.9	G27 D28	Q25-G27 PolarHBondContact O-N 2.67Å; Q25-D28 WeakPolarHBondContact CB-OD1 3.36Å; Q25-D28 PolarHBondContact N-OD1 3.03Å; Q25-D28 PolarHBondContact N-OD2 3.3Å; Q25-D28 WeakPolarHBondContact O-CB 3.41Å; Q25-D28 VanDerWaalsContact O-CG 3.3Å; Q25-D28 PolarHBondContact O-N 2.68Å
26	A	60.1	Low	61.9	Low	70 Å²	70	81.1 Å²	81.1	58%	0.579	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	123	174.6	0	0	0	0	0	109.6
27	G	63.3	Low	63.9	Low	52 Å²	52	79.9 Å²	79.9	54%	0.536	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	2.1	-170.1	0	0	0	0	0	114.2	Q25 E29 V119	Q25-G27 PolarHBondContact O-N 2.67Å; G27-E29 PolarHBondContact O-N 3.16Å; G27-V119 PolarHBondContact N-O 3.41Å
28	D	70.1	Confident	65.4	Low	2 Å²	2	75.8 Å²	75.8	1%	0.011	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	117.1	176.5	-80.8	16.2	0	0	0	111.3	L24 Q25 N72 R74 N118 V119	L24-D28 VanDerWaalsContact CA-OD2 3.28Å; L24-D28 WeakPolarHBondContact CA-OD2 3.44Å; L24-D28 HydrophobicContact CD2-CB 4.47Å; Q25-D28 WeakPolarHBondContact CB-OD1 3.36Å; Q25-D28 PolarHBondContact N-OD1 3.03Å; Q25-D28 PolarHBondContact N-OD2 3.3Å; Q25-D28 WeakPolarHBondContact O-CB 3.41Å; Q25-D28 VanDerWaalsContact O-CG 3.3Å; Q25-D28 PolarHBondContact O-N 2.68Å; D28-N72 PolarHBondContact OD2-ND2 2.81Å; D28-R74 VanDerWaalsContact CG-NH2 3.34Å; D28-R74 IonicContact OD1-CZ 2.76Å; D28-R74 VanDerWaalsContact OD1-CZ 3.31Å; D28-R74 IonicContact OD1-NE 3.91Å; D28-R74 PolarHBondContact OD1-NE 2.99Å; D28-R74 IonicContact OD1-NH2 3.27Å; D28-R74 PolarHBondContact OD1-NH2 3.39Å; D28-R74 IonicContact OD2-CZ 3.74Å; D28-R74 IonicContact OD2-NE 2.68Å; D28-R74 IonicContact OD2-NH2 3.67Å; D28-R74 PolarHBondContact OD2-NH2 2.96Å; D28-N118 WeakPolarHBondContact O-CA 3.35Å; D28-V119 PolarHBondContact N-O 3.05Å; D28-V119 PolarHBondContact O-N 2.88Å
29	E	75.9	Confident	66.3	Low	59 Å²	59	72.8 Å²	72.8	28%	0.276	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.8	176.4	-53.6	-152.7	119.4	0	0	110.8	G27 H73 R92 N118	G27-E29 PolarHBondContact O-N 3.16Å; E29-H73 PolarHBondContact O-CD2 3.47Å; E29-H73 VanDerWaalsContact O-CD2 3.3Å; E29-H73 PolarHBondContact O-N 3.44Å; E29-H73 VanDerWaalsContact O-N 3.07Å; E29-R92 IonicContact OE1-CZ 3.31Å; E29-R92 IonicContact OE1-NE 2.69Å; E29-R92 PolarHBondContact OE1-NE 2.75Å; E29-R92 IonicContact OE1-NH2 2.69Å; E29-R92 PolarHBondContact OE1-NH2 3.15Å; E29-R92 IonicContact OE2-CZ 3.67Å; E29-R92 IonicContact OE2-NH2 3.73Å; E29-R92 PolarHBondContact OE2-NH2 3.49Å; E29-N118 WeakPolarHBondContact CG-OD1 3.36Å; E29-N118 PolarHBondContact OE1-ND2 3.3Å; E29-N118 PolarHBondContact OE1-OD1 3.09Å
30	L	78.6	Confident	66.7	Low	4 Å²	4	70.1 Å²	70.1	2%	0.021	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.8	-175.1	-60.6	-168.7	0	0	0	111.9	L24 C70 M71 N72 L81 V117 V119	L24-L30 HydrophobicContact CD1-CD1 4.24Å; L24-L30 HydrophobicContact CD2-CD2 4.35Å; L30-C70 HydrophobicContact CB-CB 4.08Å; L30-C70 HydrophobicContact CD1-CB 4.21Å; L30-M71 VanDerWaalsContact CA-O 3.32Å; L30-M71 WeakPolarHBondContact CA-O 3.08Å; L30-N72 HydrophobicContact CD2-CB 3.59Å; L30-L81 HydrophobicContact CD1-CD1 3.75Å; L30-V117 WeakPolarHBondContact CA-O 3.47Å; L30-V117 WeakPolarHBondContact CB-O 3.35Å; L30-V117 PolarHBondContact N-O 3.16Å; L30-V117 PolarHBondContact O-N 3.34Å; L30-V117 VanDerWaalsContact O-N 3.12Å; L30-V117 VanDerWaalsContact O-O 3.12Å; L30-V119 HydrophobicContact CD1-CG2 3.45Å; L30-V119 VanDerWaalsContact CD1-CG2 3.45Å; L30-V119 HydrophobicContact CG-CG2 3.86Å
31	S	79.3	Confident	66.6	Low	44 Å²	44	67.8 Å²	67.8	31%	0.308	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.3	166	-78.5	0	0	0	0	110.7	M33 C70 M71 H73	S31-M33 PolarHBondContact O-N 3.39Å; S31-C70 CarbonylContact O-C 3.46Å; S31-C70 VanDerWaalsContact O-CA 3.22Å; S31-C70 WeakPolarHBondContact O-CA 3.4Å; S31-M71 PolarHBondContact N-O 2.9Å; S31-M71 PolarHBondContact O-N 3.49Å; S31-H73 WeakPolarHBondContact CB-NE2 3.41Å; S31-H73 PolarHBondContact OG-NE2 3.08Å
32	L	78.8	Confident	66.4	Low	72 Å²	72	66 Å²	66	38%	0.377	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.6	171.5	174.4	63.1	0	0	0	110.4	G34 L68 L115	L32-G34 VanDerWaalsContact CD1-O 3.31Å; L32-G34 WeakPolarHBondContact CD1-O 3.47Å; L32-L68 HydrophobicContact CD1-CB 4.2Å; L32-L68 HydrophobicContact CD1-CD1 4.24Å; L32-L68 HydrophobicContact CD1-CD2 3.72Å; L32-L68 HydrophobicContact CD1-CG 4.27Å; L32-L115 HydrophobicContact CB-CB 4.34Å; L32-L115 HydrophobicContact CB-CD1 4.3Å; L32-L115 HydrophobicContact CD2-CD1 4.13Å
33	M	78	Confident	65.4	Low	111 Å²	111	66.8 Å²	66.8	55%	0.547	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-31.7	172.1	-56.3	-177.1	78.8	0	0	112.3	S31 V69 M71	S31-M33 PolarHBondContact O-N 3.39Å; M33-V69 WeakPolarHBondContact CA-O 3.45Å; M33-V69 HydrophobicContact CB-CB 4.43Å; M33-V69 HydrophobicContact CB-CG1 4.21Å; M33-V69 WeakPolarHBondContact CB-O 3.34Å; M33-V69 PolarHBondContact N-O 2.94Å; M33-V69 HydrophobicContact SD-CG1 4.26Å; M33-M71 HydrophobicContact CE-CE 3.98Å; M33-M71 HydrophobicContact CG-CB 4.03Å; M33-M71 HydrophobicContact SD-CB 3.8Å; M33-M71 HydrophobicContact SD-CE 4.03Å
34	G	79.8	Confident	64.3	Low	28 Å²	28	65.1 Å²	65.1	29%	0.289	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172	-170.6	179.8	0	0	0	0	0	114.6	L32 L68 V69	L32-G34 VanDerWaalsContact CD1-O 3.31Å; L32-G34 WeakPolarHBondContact CD1-O 3.47Å; G34-L68 WeakPolarHBondContact O-CA 3.31Å; G34-V69 PolarHBondContact N-O 3.14Å; G34-V69 VanDerWaalsContact N-O 3.16Å; G34-V69 PolarHBondContact O-N 3.13Å
35	K	80.9	Confident	63	Low	150 Å²	150	72 Å²	72	65%	0.652	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.7	171.9	-65.9	176.6	-179.6	175.8	0	108.9	C67 L68	K35-C67 WeakPolarHBondContact CA-O 3.4Å; K35-L68 HydrophobicContact CG-CD2 4.07Å
36	A	79.9	Confident	62	Low	42 Å²	42	73.7 Å²	73.7	35%	0.347	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	172.4	174.4	0	0	0	0	0	111	C67 V69	A36-C67 VanDerWaalsContact C-SG 3.53Å; A36-C67 PolarHBondContact N-O 3.39Å; A36-C67 PolarHBondContact O-N 3.31Å; A36-C67 PolarHBondContact O-SG 2.88Å; A36-V69 HydrophobicContact CB-CG2 3.79Å
37	E	76.4	Confident	60.8	Low	112 Å²	112	75.2 Å²	75.2	52%	0.523	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	111	169.5	-66.3	178.8	143	0	0	108.4	L39 K64	E37-L39 PolarHBondContact O-N 3.43Å; E37-K64 VanDerWaalsContact CD-NZ 3.34Å; E37-K64 IonicContact OE1-NZ 2.63Å; E37-K64 PolarHBondContact OE1-NZ 2.96Å; E37-K64 WeakPolarHBondContact OE2-CD 3.46Å; E37-K64 WeakPolarHBondContact OE2-CE 3.25Å; E37-K64 IonicContact OE2-NZ 3.05Å; E37-K64 PolarHBondContact OE2-NZ 3.27Å
38	L	68.2	Low	59.7	Low	12 Å²	12	78 Å²	78	6%	0.063	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	126.5	167.2	-122	73.7	0	0	0	108.7	Y20 C40 T65 C67 P82	Y20-L38 HydrophobicContact CD1-CD2 3.97Å; Y20-L38 HydrophobicContact CD2-CD2 3.6Å; Y20-L38 HydrophobicContact CD2-CG 4.25Å; Y20-L38 HydrophobicContact CE1-CD1 4.12Å; Y20-L38 HydrophobicContact CE1-CD2 4.12Å; Y20-L38 HydrophobicContact CE2-CD1 4.09Å; Y20-L38 HydrophobicContact CE2-CD2 3.75Å; Y20-L38 HydrophobicContact CE2-CG 3.91Å; Y20-L38 HydrophobicContact CG-CD2 3.71Å; L38-C40 VanDerWaalsContact C-N 3.34Å; L38-C40 PolarHBondContact O-N 2.98Å; L38-T65 WeakPolarHBondContact CB-O 3.4Å; L38-T65 PolarHBondContact N-O 3.33Å; L38-T65 PolarHBondContact O-N 3.04Å; L38-C67 HydrophobicContact CD1-CB 4.06Å; L38-C67 WeakPolarHBondContact CD1-SG 3.39Å; L38-P82 HydrophobicContact CD2-CG 4.39Å
39	L	58.7	Low	58.5	Low	92 Å²	92	81.4 Å²	81.4	48%	0.482	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	78.9	168.3	-64.3	177.7	0	0	0	108.3	E37 A41 R62 K64	E37-L39 PolarHBondContact O-N 3.43Å; L39-A41 PolarHBondContact O-N 3.03Å; L39-R62 HydrophobicContact CD2-CB 4.2Å; L39-K64 HydrophobicContact CD2-CG 3.97Å
40	C	49.9	Very low	57.1	Low	40 Å²	40	84.6 Å²	84.6	27%	0.27	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	135.2	173.7	-65.1	0	0	0	0	109.3	L38 S63 T65	L38-C40 VanDerWaalsContact C-N 3.34Å; L38-C40 PolarHBondContact O-N 2.98Å; C40-S63 PolarHBondContact N-O 3.34Å; C40-T65 PolarHBondContact SG-OG1 2.8Å
41	A	42.5	Very low	55.1	Low	84 Å²	84	88.9 Å²	88.9	69%	0.694	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-61.8	139.5	154.7	0	0	0	0	0	107.6	L39	L39-A41 PolarHBondContact O-N 3.03Å
42	S	38.5	Very low	53.3	Low	81 Å²	81	89.6 Å²	89.6	57%	0.566	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-60.6	135.8	160.6	175.2	0	0	0	0	107.2
43	P	36.9	Very low	51.7	Low	81 Å²	81	92.3 Å²	92.3	53%	0.526	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-56.5	147.4	172.6	25	-34.2	0	0	0	109.7	K45	P43-K45 PolarHBondContact O-N 3.44Å
44	P	32.2	Very low	50.3	Low	94 Å²	94	92.8 Å²	92.8	61%	0.61	55%	0.545	S	S	*	.			trans	-73.1	71	176.7	32.1	-35.6	0	0	0	110.3	E18 E46	E18-P44 VanDerWaalsContact OE2-CD 3.31Å; E18-P44 WeakPolarHBondContact OE2-CD 3.38Å; E18-P44 WeakPolarHBondContact OE2-CG 3.32Å; P44-E46 PolarHBondContact O-N 3.49Å
45	K	37.6	Very low	48.6	Very low	171 Å²	171	101.6 Å²	101.6	74%	0.743	57%	0.57	S	S	*	*			trans	-57.6	110.3	174.8	-172.6	164.4	-168.8	158.8	0	108.8	P43 K47	P43-K45 PolarHBondContact O-N 3.44Å; K45-K47 PolarHBondContact O-N 3.49Å
46	E	35.6	Very low	46.8	Very low	147 Å²	147	105.7 Å²	105.7	69%	0.687	58%	0.581	S	S	*	*			trans	-50.3	106	-164.8	-74.2	-174	154.2	0	0	112.1	P44 R210	P44-E46 PolarHBondContact O-N 3.49Å; E46-R210 IonicContact OE1-CZ 3.27Å; E46-R210 IonicContact OE1-NH1 3.86Å; E46-R210 PolarHBondContact OE1-NH1 3.46Å; E46-R210 IonicContact OE1-NH2 3.37Å; E46-R210 PolarHBondContact OE1-NH2 3.02Å
47	K	36.8	Very low	45.2	Very low	101 Å²	101	110.2 Å²	110.2	44%	0.439	60%	0.599	S	S	.	*			trans	-147.1	90	176.5	-76.4	-159.3	172.8	-169.9	0	110.6	K45 H577	K45-K47 PolarHBondContact O-N 3.49Å; K47-H577 PolarHBondContact NZ-NE2 3.45Å
48	T	39.3	Very low	43.4	Very low	110 Å²	110	108.6 Å²	108.6	68%	0.675	61%	0.612	S	S	*	*			trans	39.5	94.9	136.1	57.9	0	0	0	0	117.3	L50	T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 3.14Å
49	G	44.3	Very low	42.2	Very low	75 Å²	75	117.7 Å²	117.7	77%	0.773	65%	0.651	S	S	*	*	S	Bend	trans	72	-23.3	139.6	0	0	0	0	0	120.9
50	L	46.2	Very low	41.3	Very low	126 Å²	126	118.5 Å²	118.5	66%	0.66	66%	0.66	S	S	*	*			trans	-103.8	-10.9	-167.9	-68.4	174.4	0	0	0	115.8	T48 A52 L53	T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 3.14Å; L50-A52 PolarHBondContact O-N 3.42Å; L50-L53 PolarHBondContact O-N 3.48Å
51	S	37.8	Very low	40.7	Very low	94 Å²	94	122.4 Å²	122.4	66%	0.657	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-24.9	179.5	56.2	0	0	0	0	113.7	L53	S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 2.8Å
52	A	41.9	Very low	41	Very low	58 Å²	58	126 Å²	126	48%	0.479	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	-35.8	178.9	0	0	0	0	0	113.2	L50 R55	L50-A52 PolarHBondContact O-N 3.42Å; A52-R55 PolarHBondContact O-NE 3.42Å
53	L	45.2	Very low	41.8	Very low	129 Å²	129	124.9 Å²	124.9	68%	0.675	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-36.9	-175.2	-98.2	160.2	0	0	0	113.3	L50 S51 R55 R56	L50-L53 PolarHBondContact O-N 3.48Å; S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 2.8Å; L53-R55 PolarHBondContact O-N 3.07Å; L53-R55 VanDerWaalsContact O-N 3.12Å; L53-R56 PolarHBondContact O-N 3.46Å
54	L	47.5	Very low	43.4	Very low	122 Å²	122	127.1 Å²	127.1	64%	0.639	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-68.5	-10.4	-178.4	-73.7	173.8	0	0	0	114.1	R56 L57	L54-R56 PolarHBondContact O-N 3.4Å; L54-R56 VanDerWaalsContact O-N 3.09Å; L54-L57 PolarHBondContact O-N 3.12Å
55	R	45.4	Very low	45.5	Very low	213 Å²	213	124.1 Å²	124.1	80%	0.804	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-60.9	-14.6	171.4	-67.2	-170	-67.5	177.8	-3.2	113.9	A52 L53	A52-R55 PolarHBondContact O-NE 3.42Å; L53-R55 PolarHBondContact O-N 3.07Å; L53-R55 VanDerWaalsContact O-N 3.12Å
56	R	42.9	Very low	47.4	Very low	236 Å²	236	119 Å²	119	89%	0.891	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-96	-1	174.6	-60.8	-175	79.5	175.3	4.6	114.6	L53 L54	L53-R56 PolarHBondContact O-N 3.46Å; L54-R56 PolarHBondContact O-N 3.4Å; L54-R56 VanDerWaalsContact O-N 3.09Å
57	L	45	Very low	49.7	Very low	137 Å²	137	112 Å²	112	72%	0.717	61%	0.606	S	S	*	*	S	Bend	trans	-134.2	85	-179.6	-157.5	72.4	0	0	0	111.6	L54 K59	L54-L57 PolarHBondContact O-N 3.12Å; L57-K59 PolarHBondContact O-N 3.31Å
58	G	39.3	Very low	51.9	Low	78 Å²	78	107.6 Å²	107.6	80%	0.804	59%	0.587	S	S	*	*			trans	-68.8	88.6	-166.1	0	0	0	0	0	116.3
59	K	42.4	Very low	54	Low	202 Å²	202	103.9 Å²	103.9	88%	0.878	56%	0.564	S	S	*	*			trans	-155.8	93.4	157.3	-94	130.6	-178.7	-179.3	0	110.8	L57	L57-K59 PolarHBondContact O-N 3.31Å
60	T	39.1	Very low	55.9	Low	109 Å²	109	100.6 Å²	100.6	67%	0.669	53%	0.529	S	S	*	.			trans	-86.8	140.9	165.7	49.4	0	0	0	0	110.7	R62	T60-R62 PolarHBondContact O-N 3.38Å
61	P	38.3	Very low	57.7	Low	123 Å²	123	97 Å²	97	80%	0.799	51%	0.51	S	S	*	.			trans	-73	90.2	170.5	30.3	-33	0	0	0	109.4	S63	P61-S63 PolarHBondContact O-N 3.41Å
62	R	49.4	Very low	60	Low	159 Å²	159	92.6 Å²	92.6	60%	0.6	48%	0.479	S	S	*	.			trans	-75.4	118.3	177.6	-69.8	-179.8	-78.7	-175.6	-3.3	110	L39 T60 K64	L39-R62 HydrophobicContact CD2-CB 4.2Å; T60-R62 PolarHBondContact O-N 3.38Å; R62-K64 PolarHBondContact O-N 3Å
63	S	55.5	Low	61.7	Low	58 Å²	58	93.9 Å²	93.9	41%	0.406	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	112.1	173.3	38.9	0	0	0	0	109.7	C40 P61 T65	C40-S63 PolarHBondContact N-O 3.34Å; P61-S63 PolarHBondContact O-N 3.41Å; S63-T65 PolarHBondContact O-N 3.36Å
64	K	69.6	Low	63.3	Low	127 Å²	127	93 Å²	93	55%	0.552	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	107.5	173.9	-73.1	175.3	157	-143.3	0	109.7	E37 L39 R62	E37-K64 VanDerWaalsContact CD-NZ 3.34Å; E37-K64 IonicContact OE1-NZ 2.63Å; E37-K64 PolarHBondContact OE1-NZ 2.96Å; E37-K64 WeakPolarHBondContact OE2-CD 3.46Å; E37-K64 WeakPolarHBondContact OE2-CE 3.25Å; E37-K64 IonicContact OE2-NZ 3.05Å; E37-K64 PolarHBondContact OE2-NZ 3.27Å; L39-K64 HydrophobicContact CD2-CG 3.97Å; R62-K64 PolarHBondContact O-N 3Å
65	T	75.4	Confident	64.6	Low	32 Å²	32	89.3 Å²	89.3	20%	0.196	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.3	176.3	-60.5	0	0	0	0	109.1	L38 C40 S63 C67 P82	L38-T65 WeakPolarHBondContact CB-O 3.4Å; L38-T65 PolarHBondContact N-O 3.33Å; L38-T65 PolarHBondContact O-N 3.04Å; C40-T65 PolarHBondContact SG-OG1 2.8Å; S63-T65 PolarHBondContact O-N 3.36Å; T65-C67 PolarHBondContact O-N 3.18Å; T65-P82 HydrophobicContact CG2-CB 4.04Å
66	P	78.3	Confident	66.3	Low	62 Å²	62	85 Å²	85	40%	0.403	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	135.3	177.7	26.3	-32.9	0	0	0	110.7	F83	P66-F83 HydrophobicContact CB-CD1 4.23Å; P66-F83 HydrophobicContact CB-CD2 3.88Å; P66-F83 HydrophobicContact CB-CE1 4.32Å; P66-F83 HydrophobicContact CB-CE2 3.99Å; P66-F83 HydrophobicContact CB-CG 4.01Å; P66-F83 HydrophobicContact CB-CZ 4.2Å; P66-F83 HydrophobicContact CG-CB 4.19Å; P66-F83 HydrophobicContact CG-CD2 3.88Å; P66-F83 HydrophobicContact CG-CE2 4.42Å; P66-F83 HydrophobicContact CG-CG 4.02Å; P66-F83 WeakPolarHBondContact O-CB 3.28Å; P66-F83 VanDerWaalsContact O-CD1 3.27Å; P66-F83 WeakPolarHBondContact O-CD1 3.06Å; P66-F83 WeakPolarHBondContact O-CG 3.07Å; P66-F83 PolarHBondContact O-N 2.8Å
67	C	84.6	Confident	68.1	Low	1 Å²	1	79.6 Å²	79.6	1%	0.007	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.8	179.5	61.8	0	0	0	0	112.1	K35 A36 L38 T65 L81	K35-C67 WeakPolarHBondContact CA-O 3.4Å; A36-C67 VanDerWaalsContact C-SG 3.53Å; A36-C67 PolarHBondContact N-O 3.39Å; A36-C67 PolarHBondContact O-N 3.31Å; A36-C67 PolarHBondContact O-SG 2.88Å; L38-C67 HydrophobicContact CD1-CB 4.06Å; L38-C67 WeakPolarHBondContact CD1-SG 3.39Å; T65-C67 PolarHBondContact O-N 3.18Å; C67-L81 CarbonylContact C-O 3.59Å; C67-L81 WeakPolarHBondContact CA-O 3.01Å; C67-L81 VanDerWaalsContact CB-O 3.23Å; C67-L81 WeakPolarHBondContact CB-O 3.39Å
68	L	82.8	Confident	69.8	Low	8 Å²	8	77 Å²	77	4%	0.042	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	142	160	-64.3	-175.5	0	0	0	109.2	L32 G34 K35 S80 L81 F83 V106 I110 L115	L32-L68 HydrophobicContact CD1-CB 4.2Å; L32-L68 HydrophobicContact CD1-CD1 4.24Å; L32-L68 HydrophobicContact CD1-CD2 3.72Å; L32-L68 HydrophobicContact CD1-CG 4.27Å; G34-L68 WeakPolarHBondContact O-CA 3.31Å; K35-L68 HydrophobicContact CG-CD2 4.07Å; L68-S80 CarbonylContact O-C 3.55Å; L68-S80 VanDerWaalsContact O-CA 3.22Å; L68-S80 WeakPolarHBondContact O-CA 3.19Å; L68-L81 HydrophobicContact CB-CB 4.49Å; L68-L81 PolarHBondContact N-O 3.29Å; L68-L81 PolarHBondContact O-N 3.45Å; L68-F83 HydrophobicContact CD2-CE1 3.98Å; L68-F83 HydrophobicContact CG-CE1 4.2Å; L68-V106 HydrophobicContact CD1-CG1 3.71Å; L68-V106 HydrophobicContact CG-CG1 3.81Å; L68-I110 HydrophobicContact CD1-CD1 3.81Å; L68-I110 HydrophobicContact CD1-CG1 3.74Å; L68-I110 HydrophobicContact CD2-CD1 3.45Å; L68-I110 VanDerWaalsContact CD2-CD1 3.45Å; L68-I110 HydrophobicContact CD2-CG1 3.88Å; L68-I110 HydrophobicContact CG-CD1 3.65Å; L68-I110 HydrophobicContact CG-CG1 4.12Å; L68-L115 HydrophobicContact CD1-CD1 4.1Å
69	V	83.5	Confident	71.9	Confident	33 Å²	33	73.9 Å²	73.9	20%	0.2	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.6	160	-175.2	0	0	0	0	107.1	M33 G34 A36	M33-V69 WeakPolarHBondContact CA-O 3.45Å; M33-V69 HydrophobicContact CB-CB 4.43Å; M33-V69 HydrophobicContact CB-CG1 4.21Å; M33-V69 WeakPolarHBondContact CB-O 3.34Å; M33-V69 PolarHBondContact N-O 2.94Å; M33-V69 HydrophobicContact SD-CG1 4.26Å; G34-V69 PolarHBondContact N-O 3.14Å; G34-V69 VanDerWaalsContact N-O 3.16Å; G34-V69 PolarHBondContact O-N 3.13Å; A36-V69 HydrophobicContact CB-CG2 3.79Å
70	C	84	Confident	73.8	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.034	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.5	-179.4	-66.3	0	0	0	0	110.6	L30 S31 S78 V79	L30-C70 HydrophobicContact CB-CB 4.08Å; L30-C70 HydrophobicContact CD1-CB 4.21Å; S31-C70 CarbonylContact O-C 3.46Å; S31-C70 VanDerWaalsContact O-CA 3.22Å; S31-C70 WeakPolarHBondContact O-CA 3.4Å; C70-S78 CarbonylContact O-C 3.57Å; C70-S78 WeakPolarHBondContact O-CA 3.31Å; C70-V79 PolarHBondContact N-O 3.15Å; C70-V79 PolarHBondContact O-N 2.76Å
71	M	84.8	Confident	75.9	Confident	52 Å²	52	60.2 Å²	60.2	26%	0.256	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.6	166.7	-176.6	61.3	78.8	0	0	108.9	L30 S31 M33	L30-M71 VanDerWaalsContact CA-O 3.32Å; L30-M71 WeakPolarHBondContact CA-O 3.08Å; S31-M71 PolarHBondContact N-O 2.9Å; S31-M71 PolarHBondContact O-N 3.49Å; M33-M71 HydrophobicContact CE-CE 3.98Å; M33-M71 HydrophobicContact CG-CB 4.03Å; M33-M71 HydrophobicContact SD-CB 3.8Å; M33-M71 HydrophobicContact SD-CE 4.03Å
72	N	84.3	Confident	78	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.3	169	-177.9	-34.1	0	0	0	109.4	L24 D28 L30 R74 T75 N76 Q77 V79	L24-N72 WeakPolarHBondContact CD2-ND2 3.35Å; D28-N72 PolarHBondContact OD2-ND2 2.81Å; L30-N72 HydrophobicContact CD2-CB 3.59Å; N72-R74 VanDerWaalsContact C-N 3.34Å; N72-R74 PolarHBondContact O-N 2.92Å; N72-R74 PolarHBondContact OD1-N 3.38Å; N72-T75 WeakPolarHBondContact CB-OG1 3.13Å; N72-T75 VanDerWaalsContact CG-OG1 3.3Å; N72-T75 PolarHBondContact O-N 2.9Å; N72-T75 PolarHBondContact OD1-N 3.26Å; N72-N76 VanDerWaalsContact O-CA 3.22Å; N72-N76 WeakPolarHBondContact O-CA 3.35Å; N72-N76 PolarHBondContact O-N 3.2Å; N72-Q77 PolarHBondContact N-O 3.39Å; N72-Q77 PolarHBondContact O-N 2.93Å; N72-V79 HydrophobicContact CB-CG2 4.07Å
73	H	78.9	Confident	79.4	Confident	85 Å²	85	49.7 Å²	49.7	39%	0.394	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.2	-174.9	-64.3	-70.1	0	0	0	113.8	E29 S31 N76	E29-H73 PolarHBondContact O-CD2 3.47Å; E29-H73 VanDerWaalsContact O-CD2 3.3Å; E29-H73 PolarHBondContact O-N 3.44Å; E29-H73 VanDerWaalsContact O-N 3.07Å; S31-H73 WeakPolarHBondContact CB-NE2 3.41Å; S31-H73 PolarHBondContact OG-NE2 3.08Å; H73-N76 PolarHBondContact O-ND2 3.27Å
74	R	77.6	Confident	80.2	Confident	111 Å²	111	52.3 Å²	52.3	42%	0.419	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-39.5	175.8	-176.2	-177	55.6	72.2	9.8	111.5	D28 N72	D28-R74 VanDerWaalsContact CG-NH2 3.34Å; D28-R74 IonicContact OD1-CZ 2.76Å; D28-R74 VanDerWaalsContact OD1-CZ 3.31Å; D28-R74 IonicContact OD1-NE 3.91Å; D28-R74 PolarHBondContact OD1-NE 2.99Å; D28-R74 IonicContact OD1-NH2 3.27Å; D28-R74 PolarHBondContact OD1-NH2 3.39Å; D28-R74 IonicContact OD2-CZ 3.74Å; D28-R74 IonicContact OD2-NE 2.68Å; D28-R74 IonicContact OD2-NH2 3.67Å; D28-R74 PolarHBondContact OD2-NH2 2.96Å; N72-R74 VanDerWaalsContact C-N 3.34Å; N72-R74 PolarHBondContact O-N 2.92Å; N72-R74 PolarHBondContact OD1-N 3.38Å
75	T	76.4	Confident	80.4	Confident	43 Å²	43	48 Å²	48	26%	0.264	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.4	-179.1	62.4	0	0	0	0	114.1	N72 Q77	N72-T75 WeakPolarHBondContact CB-OG1 3.13Å; N72-T75 VanDerWaalsContact CG-OG1 3.3Å; N72-T75 PolarHBondContact O-N 2.9Å; N72-T75 PolarHBondContact OD1-N 3.26Å; T75-Q77 PolarHBondContact O-N 3.03Å
76	N	80.8	Confident	80.1	Confident	122 Å²	122	54.8 Å²	54.8	65%	0.652	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.2	-169.7	-75.5	-76.7	0	0	0	113.2	N72 H73	N72-N76 VanDerWaalsContact O-CA 3.22Å; N72-N76 WeakPolarHBondContact O-CA 3.35Å; N72-N76 PolarHBondContact O-N 3.2Å; H73-N76 PolarHBondContact O-ND2 3.27Å
77	Q	81	Confident	79.7	Confident	124 Å²	124	52.1 Å²	52.1	58%	0.579	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.6	179.5	-70.4	172.4	-9.7	0	0	111.4	N72 T75	N72-Q77 PolarHBondContact N-O 3.39Å; N72-Q77 PolarHBondContact O-N 2.93Å; T75-Q77 PolarHBondContact O-N 3.03Å
78	S	80.1	Confident	78.9	Confident	83 Å²	83	58.4 Å²	58.4	58%	0.58	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.4	169.3	49.9	0	0	0	0	110.6	C70	C70-S78 CarbonylContact O-C 3.57Å; C70-S78 WeakPolarHBondContact O-CA 3.31Å
79	V	83.1	Confident	78.3	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.6	-178.1	-178.4	0	0	0	0	108.6	F22 L24 C70 N72 L81	F22-V79 HydrophobicContact CB-CG1 3.97Å; F22-V79 HydrophobicContact CD1-CG1 3.95Å; F22-V79 HydrophobicContact CD2-CG1 3.42Å; F22-V79 VanDerWaalsContact CD2-CG1 3.42Å; F22-V79 HydrophobicContact CE1-CG1 4.33Å; F22-V79 HydrophobicContact CE2-CG1 3.87Å; F22-V79 HydrophobicContact CG-CG1 3.49Å; F22-V79 VanDerWaalsContact CG-CG1 3.49Å; F22-V79 HydrophobicContact CZ-CG1 4.31Å; L24-V79 HydrophobicContact CD2-CG2 4.45Å; C70-V79 PolarHBondContact N-O 3.15Å; C70-V79 PolarHBondContact O-N 2.76Å; N72-V79 HydrophobicContact CB-CG2 4.07Å; V79-L81 HydrophobicContact CG1-CD2 3.71Å; V79-L81 HydrophobicContact CG1-CG 4.44Å
80	S	83.1	Confident	77.3	Confident	20 Å²	20	58.6 Å²	58.6	14%	0.14	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.3	175.1	-62.6	0	0	0	0	111	F22 L68 P82	F22-S80 WeakPolarHBondContact CE1-O 3.49Å; L68-S80 CarbonylContact O-C 3.55Å; L68-S80 VanDerWaalsContact O-CA 3.22Å; L68-S80 WeakPolarHBondContact O-CA 3.19Å; S80-P82 WeakPolarHBondContact O-CD 3.44Å
81	L	81.8	Confident	76.3	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113	-179.1	-56.4	-177.4	0	0	0	111.3	F22 L24 L30 C67 L68 V79 F89 V106	F22-L81 HydrophobicContact CD2-CD2 4.3Å; F22-L81 HydrophobicContact CE1-CD2 4.28Å; F22-L81 HydrophobicContact CE2-CD2 3.39Å; F22-L81 HydrophobicContact CZ-CD2 3.39Å; L24-L81 HydrophobicContact CD1-CD2 4.3Å; L30-L81 HydrophobicContact CD1-CD1 3.75Å; C67-L81 CarbonylContact C-O 3.59Å; C67-L81 WeakPolarHBondContact CA-O 3.01Å; C67-L81 VanDerWaalsContact CB-O 3.23Å; C67-L81 WeakPolarHBondContact CB-O 3.39Å; L68-L81 HydrophobicContact CB-CB 4.49Å; L68-L81 PolarHBondContact N-O 3.29Å; L68-L81 PolarHBondContact O-N 3.45Å; V79-L81 HydrophobicContact CG1-CD2 3.71Å; V79-L81 HydrophobicContact CG1-CG 4.44Å; L81-F89 HydrophobicContact CD1-CE1 4.31Å; L81-V106 HydrophobicContact CB-CG1 4.38Å; L81-V106 HydrophobicContact CB-CG2 4.1Å; L81-V106 HydrophobicContact CD1-CG2 4.27Å
82	P	83	Confident	74.9	Confident	24 Å²	24	64.7 Å²	64.7	16%	0.156	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	143.9	174.3	-23.9	34.8	0	0	0	112.1	L38 T65 S80 V84 C85	L38-P82 HydrophobicContact CD2-CG 4.39Å; T65-P82 HydrophobicContact CG2-CB 4.04Å; S80-P82 WeakPolarHBondContact O-CD 3.44Å; P82-V84 HydrophobicContact CB-CG2 3.98Å; P82-V84 PolarHBondContact O-N 2.97Å; P82-V84 VanDerWaalsContact O-N 3.07Å; P82-C85 WeakPolarHBondContact O-CB 3.22Å; P82-C85 PolarHBondContact O-N 3.32Å
83	F	79.9	Confident	73.4	Confident	38 Å²	38	66.2 Å²	66.2	17%	0.167	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.3	-180	-84.9	25.9	0	0	0	113.9	P66 L68 V106 R107 I110	P66-F83 HydrophobicContact CB-CD1 4.23Å; P66-F83 HydrophobicContact CB-CD2 3.88Å; P66-F83 HydrophobicContact CB-CE1 4.32Å; P66-F83 HydrophobicContact CB-CE2 3.99Å; P66-F83 HydrophobicContact CB-CG 4.01Å; P66-F83 HydrophobicContact CB-CZ 4.2Å; P66-F83 HydrophobicContact CG-CB 4.19Å; P66-F83 HydrophobicContact CG-CD2 3.88Å; P66-F83 HydrophobicContact CG-CE2 4.42Å; P66-F83 HydrophobicContact CG-CG 4.02Å; P66-F83 WeakPolarHBondContact O-CB 3.28Å; P66-F83 VanDerWaalsContact O-CD1 3.27Å; P66-F83 WeakPolarHBondContact O-CD1 3.06Å; P66-F83 WeakPolarHBondContact O-CG 3.07Å; P66-F83 PolarHBondContact O-N 2.8Å; L68-F83 HydrophobicContact CD2-CE1 3.98Å; L68-F83 HydrophobicContact CG-CE1 4.2Å; F83-V106 HydrophobicContact CD1-CG1 4.31Å; F83-R107 HydrophobicContact CB-CB 4.12Å; F83-R107 HydrophobicContact CD2-CB 4.3Å; F83-R107 HydrophobicContact CD2-CG 4.28Å; F83-R107 HydrophobicContact CG-CB 4.4Å; F83-R107 WeakPolarHBondContact O-CB 3.46Å; F83-R107 PolarHBondContact O-N 2.85Å; F83-R107 VanDerWaalsContact O-N 3.15Å; F83-I110 HydrophobicContact CD1-CD1 4.02Å; F83-I110 HydrophobicContact CE1-CD1 3.57Å; F83-I110 HydrophobicContact CE2-CD1 4.27Å; F83-I110 HydrophobicContact CZ-CD1 3.71Å
84	V	71.9	Confident	71.9	Confident	113 Å²	113	68 Å²	68	69%	0.685	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.9	175.5	-64.6	0	0	0	0	113.9	P82 R86	P82-V84 HydrophobicContact CB-CG2 3.98Å; P82-V84 PolarHBondContact O-N 2.97Å; P82-V84 VanDerWaalsContact O-N 3.07Å; V84-R86 PolarHBondContact O-N 2.76Å
85	C	72.3	Confident	70.6	Confident	35 Å²	35	70.7 Å²	70.7	24%	0.236	37%	0.367	C	S	.	.			trans	-57.8	129.8	177.5	178.6	0	0	0	0	110	P82 T105 V106	P82-C85 WeakPolarHBondContact O-CB 3.22Å; P82-C85 PolarHBondContact O-N 3.32Å; C85-T105 CarbonylContact O-C 3.31Å; C85-T105 VanDerWaalsContact O-CA 3.28Å; C85-T105 WeakPolarHBondContact O-CA 3.36Å; C85-V106 HydrophobicContact CB-CG2 3.84Å; C85-V106 PolarHBondContact O-N 3.04Å
86	R	69.2	Low	69.6	Low	176 Å²	176	70.6 Å²	70.6	66%	0.664	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	150.4	176	-73.4	-174.2	176.9	-162.4	1.4	110.5	V84 H104 T105	V84-R86 PolarHBondContact O-N 2.76Å; R86-H104 WeakPolarHBondContact CA-O 3.38Å; R86-T105 HydrophobicContact CG-CG2 3.7Å
87	G	70.8	Confident	68.1	Low	5 Å²	5	71.9 Å²	71.9	5%	0.052	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-178.3	176	0	0	0	0	0	110.5	F89 E103 H104	G87-F89 WeakPolarHBondContact O-CD2 3.48Å; G87-E103 WeakPolarHBondContact O-CA 3.35Å; G87-H104 PolarHBondContact N-O 2.86Å; G87-H104 PolarHBondContact O-N 3.25Å
88	R	68.4	Low	66.8	Low	133 Å²	133	69.6 Å²	69.6	50%	0.502	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	99.5	171.9	-70.6	-179.1	-172.8	171.2	1.6	108.6	S120	R88-S120 WeakPolarHBondContact CB-OG 3.48Å; R88-S120 PolarHBondContact N-O 3.45Å; R88-S120 PolarHBondContact O-N 3.48Å; R88-S120 PolarHBondContact O-OG 2.83Å
89	F	68.4	Low	65.6	Low	9 Å²	9	66.9 Å²	66.9	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.1	-179	-62.8	-90.5	0	0	0	109.3	L81 G87 V106 I109 V117 V119	L81-F89 HydrophobicContact CD1-CE1 4.31Å; G87-F89 WeakPolarHBondContact O-CD2 3.48Å; F89-V106 HydrophobicContact CE1-CG2 4.19Å; F89-V106 HydrophobicContact CE2-CG2 4.06Å; F89-V106 HydrophobicContact CZ-CG2 3.59Å; F89-I109 HydrophobicContact CB-CD1 3.37Å; F89-I109 HydrophobicContact CB-CG1 4.23Å; F89-I109 HydrophobicContact CD1-CD1 4.2Å; F89-I109 HydrophobicContact CD2-CD1 3.35Å; F89-I109 HydrophobicContact CE2-CD1 4.11Å; F89-I109 HydrophobicContact CG-CD1 3.4Å; F89-V117 HydrophobicContact CB-CG1 3.84Å; F89-V117 HydrophobicContact CD1-CG1 3.88Å; F89-V117 HydrophobicContact CG-CG1 4.35Å; F89-V119 HydrophobicContact CD1-CB 4.48Å; F89-V119 HydrophobicContact CD1-CG1 4.3Å; F89-V119 HydrophobicContact CD1-CG2 3.75Å; F89-V119 HydrophobicContact CE1-CG1 4.09Å; F89-V119 HydrophobicContact CE1-CG2 3.74Å
90	C	62.9	Low	64.2	Low	37 Å²	37	71.5 Å²	71.5	25%	0.25	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	159.5	172	60.8	0	0	0	0	109.9	L100 V117 N118	C90-L100 HydrophobicContact CB-CD2 3.51Å; C90-V117 CarbonylContact O-C 3.5Å; C90-V117 WeakPolarHBondContact O-CA 3.47Å; C90-V117 VanDerWaalsContact O-CG1 3.24Å; C90-V117 WeakPolarHBondContact O-CG1 3.5Å; C90-N118 PolarHBondContact N-O 3.45Å; C90-N118 PolarHBondContact O-N 3.29Å
91	T	63.9	Low	62.9	Low	24 Å²	24	74.1 Å²	74.1	15%	0.147	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	165	-179.3	72.5	0	0	0	0	110.1	S93 E96 I109 V113 P116 V117	T91-S93 PolarHBondContact O-N 3.4Å; T91-S93 VanDerWaalsContact O-N 3.13Å; T91-S93 WeakPolarHBondContact OG1-CB 3.41Å; T91-S93 PolarHBondContact OG1-N 3.08Å; T91-E96 PolarHBondContact OG1-OE2 3.22Å; T91-I109 HydrophobicContact CG2-CG2 4.42Å; T91-V113 HydrophobicContact CG2-CB 4.35Å; T91-V113 HydrophobicContact CG2-CG1 3.47Å; T91-V113 VanDerWaalsContact CG2-CG1 3.47Å; T91-P116 WeakPolarHBondContact CA-O 3.35Å; T91-P116 VanDerWaalsContact CB-O 3.25Å; T91-P116 WeakPolarHBondContact CB-O 3.5Å; T91-V117 HydrophobicContact CG2-CG1 4.44Å; T91-V117 HydrophobicContact CG2-CG2 4.01Å
92	R	54.3	Low	62.1	Low	160 Å²	160	75.1 Å²	75.1	60%	0.604	42%	0.419	S	S	*	.	S	Bend	trans	-78	17.6	176.6	-68.6	178.9	163.6	-157.9	-6.9	113.1	E29 P94 P116	E29-R92 IonicContact OE1-CZ 3.31Å; E29-R92 IonicContact OE1-NE 2.69Å; E29-R92 PolarHBondContact OE1-NE 2.75Å; E29-R92 IonicContact OE1-NH2 2.69Å; E29-R92 PolarHBondContact OE1-NH2 3.15Å; E29-R92 IonicContact OE2-CZ 3.67Å; E29-R92 IonicContact OE2-NH2 3.73Å; E29-R92 PolarHBondContact OE2-NH2 3.49Å; R92-P94 WeakPolarHBondContact O-CD 3.46Å; R92-P116 HydrophobicContact CB-CG 4.4Å; R92-P116 PolarHBondContact N-O 3.22Å
93	S	54.5	Low	61.4	Low	34 Å²	34	79.1 Å²	79.1	24%	0.238	44%	0.436	C	S	.	.			trans	-93.2	113.3	-178.2	-178.5	0	0	0	0	111.1	T91 L95 E96	T91-S93 PolarHBondContact O-N 3.4Å; T91-S93 VanDerWaalsContact O-N 3.13Å; T91-S93 WeakPolarHBondContact OG1-CB 3.41Å; T91-S93 PolarHBondContact OG1-N 3.08Å; S93-L95 PolarHBondContact O-N 2.94Å; S93-L95 VanDerWaalsContact O-N 3.07Å; S93-E96 VanDerWaalsContact CB-CD 3.44Å; S93-E96 WeakPolarHBondContact CB-OE1 3.44Å; S93-E96 PolarHBondContact O-N 2.8Å; S93-E96 PolarHBondContact OG-OE1 3.27Å
94	P	45.9	Very low	60.9	Low	123 Å²	123	79 Å²	79	80%	0.799	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.6	179.6	-23.1	35.1	0	0	0	114.7	R92 E96	R92-P94 WeakPolarHBondContact O-CD 3.46Å; P94-E96 VanDerWaalsContact C-N 3.27Å; P94-E96 PolarHBondContact O-N 2.87Å
95	L	51.2	Low	61.3	Low	166 Å²	166	75.5 Å²	75.5	87%	0.869	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.7	177.9	-86.1	150.1	0	0	0	113.6	S93	S93-L95 PolarHBondContact O-N 2.94Å; S93-L95 VanDerWaalsContact O-N 3.07Å
96	E	55	Low	61.4	Low	41 Å²	41	74 Å²	74	19%	0.192	41%	0.405	C	S	.	.			trans	-113.3	28.4	-166.5	-71.5	161.4	-140.6	0	0	114.2	T91 S93 P94 G98 M99 V113	T91-E96 PolarHBondContact OG1-OE2 3.22Å; S93-E96 VanDerWaalsContact CB-CD 3.44Å; S93-E96 WeakPolarHBondContact CB-OE1 3.44Å; S93-E96 PolarHBondContact O-N 2.8Å; S93-E96 PolarHBondContact OG-OE1 3.27Å; P94-E96 VanDerWaalsContact C-N 3.27Å; P94-E96 PolarHBondContact O-N 2.87Å; E96-G98 PolarHBondContact O-N 3.22Å; E96-M99 PolarHBondContact O-N 3.48Å; E96-V113 WeakPolarHBondContact OE1-CG1 3.48Å; E96-V113 WeakPolarHBondContact OE2-CG1 3.4Å; E96-V113 WeakPolarHBondContact OE2-CG2 3.49Å
97	Q	49.9	Very low	61.8	Low	149 Å²	149	72 Å²	72	70%	0.696	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-46.2	-29.3	175.7	-153	78.1	2.9	0	0	113.7
98	G	53.1	Low	61.9	Low	77 Å²	77	72.6 Å²	72.6	79%	0.794	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-77.1	-9.4	179.5	0	0	0	0	0	116.9	E96	E96-G98 PolarHBondContact O-N 3.22Å
99	M	54.6	Low	62	Low	26 Å²	26	66.5 Å²	66.5	13%	0.128	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-94.6	-4	177.3	-75	-175.6	58.7	0	0	114	E96 G101 H104 I109 V113	E96-M99 PolarHBondContact O-N 3.48Å; M99-G101 VanDerWaalsContact C-N 3.29Å; M99-G101 PolarHBondContact O-N 2.98Å; M99-H104 PolarHBondContact O-NE2 3.11Å; M99-I109 HydrophobicContact CE-CB 4.39Å; M99-I109 HydrophobicContact CE-CG1 3.71Å; M99-I109 HydrophobicContact CE-CG2 4.46Å; M99-V113 HydrophobicContact CE-CG2 4.15Å; M99-V113 HydrophobicContact SD-CG2 3.72Å
100	L	54.2	Low	62	Low	108 Å²	108	67.8 Å²	67.8	57%	0.565	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.7	-176.2	-71.5	164	0	0	0	114.9	C90	C90-L100 HydrophobicContact CB-CD2 3.51Å
101	G	56.1	Low	62.4	Low	75 Å²	75	71.7 Å²	71.7	77%	0.773	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-9.6	-172.4	0	0	0	0	0	116.8	M99	M99-G101 VanDerWaalsContact C-N 3.29Å; M99-G101 PolarHBondContact O-N 2.98Å
102	G	64.2	Low	62.4	Low	24 Å²	24	79 Å²	79	25%	0.247	42%	0.424	C	S	.	.	S	Bend	trans	-125.8	160.9	-165.1	0	0	0	0	0	115.5
103	E	69.4	Low	62.6	Low	109 Å²	109	72.1 Å²	72.1	51%	0.509	40%	0.4	S	S	.	.			trans	-76.3	131.2	158.6	-73	-171.3	179.9	0	0	110	G87	G87-E103 WeakPolarHBondContact O-CA 3.35Å
104	H	69.5	Low	62.6	Low	34 Å²	34	81.7 Å²	81.7	16%	0.157	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.8	178.5	-65.7	-48.2	0	0	0	110.2	R86 G87 M99 I109	R86-H104 WeakPolarHBondContact CA-O 3.38Å; G87-H104 PolarHBondContact N-O 2.86Å; G87-H104 PolarHBondContact O-N 3.25Å; M99-H104 PolarHBondContact O-NE2 3.11Å; H104-I109 HydrophobicContact CB-CD1 3.94Å; H104-I109 HydrophobicContact CB-CG1 3.99Å
105	T	78.7	Confident	63	Low	41 Å²	41	77.8 Å²	77.8	25%	0.252	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	145.2	167.7	51.6	0	0	0	0	109.7	C85 R86 R107 S108 I109	C85-T105 CarbonylContact O-C 3.31Å; C85-T105 VanDerWaalsContact O-CA 3.28Å; C85-T105 WeakPolarHBondContact O-CA 3.36Å; R86-T105 HydrophobicContact CG-CG2 3.7Å; T105-R107 PolarHBondContact O-N 2.73Å; T105-R107 VanDerWaalsContact O-N 3.11Å; T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 WeakPolarHBondContact OG1-CB 3.47Å; T105-S108 PolarHBondContact OG1-N 2.76Å; T105-I109 WeakPolarHBondContact O-CD1 3.19Å; T105-I109 PolarHBondContact O-N 2.94Å
106	V	75.6	Confident	63.2	Low	3 Å²	3	72.3 Å²	72.3	2%	0.018	38%	0.377	C	S	.	.	H	α-helix	trans	-46.3	-42.5	171.3	167.7	0	0	0	0	111.2	L68 L81 F83 C85 F89 S108 I109 I110	L68-V106 HydrophobicContact CD1-CG1 3.71Å; L68-V106 HydrophobicContact CG-CG1 3.81Å; L81-V106 HydrophobicContact CB-CG1 4.38Å; L81-V106 HydrophobicContact CB-CG2 4.1Å; L81-V106 HydrophobicContact CD1-CG2 4.27Å; F83-V106 HydrophobicContact CD1-CG1 4.31Å; C85-V106 HydrophobicContact CB-CG2 3.84Å; C85-V106 PolarHBondContact O-N 3.04Å; F89-V106 HydrophobicContact CE1-CG2 4.19Å; F89-V106 HydrophobicContact CE2-CG2 4.06Å; F89-V106 HydrophobicContact CZ-CG2 3.59Å; V106-S108 PolarHBondContact O-N 3.34Å; V106-I109 PolarHBondContact O-N 3.36Å; V106-I110 HydrophobicContact CG1-CD1 3.99Å; V106-I110 WeakPolarHBondContact O-CD1 3.22Å; V106-I110 VanDerWaalsContact O-CG1 3.31Å; V106-I110 WeakPolarHBondContact O-CG1 3.09Å; V106-I110 PolarHBondContact O-N 2.92Å
107	R	77.6	Confident	63.3	Low	135 Å²	135	71 Å²	71	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-54.3	-51.4	172.7	-175	173.9	178.8	162.7	7.7	113.8	F83 T105 I109 I110 E111	F83-R107 HydrophobicContact CB-CB 4.12Å; F83-R107 HydrophobicContact CD2-CB 4.3Å; F83-R107 HydrophobicContact CD2-CG 4.28Å; F83-R107 HydrophobicContact CG-CB 4.4Å; F83-R107 WeakPolarHBondContact O-CB 3.46Å; F83-R107 PolarHBondContact O-N 2.85Å; F83-R107 VanDerWaalsContact O-N 3.15Å; T105-R107 PolarHBondContact O-N 2.73Å; T105-R107 VanDerWaalsContact O-N 3.11Å; R107-I109 PolarHBondContact O-N 3.1Å; R107-I110 PolarHBondContact O-N 3.1Å; R107-E111 HydrophobicContact CG-CG 4.38Å; R107-E111 IonicContact CZ-OE1 3.98Å; R107-E111 VanDerWaalsContact CZ-OE1 3.26Å; R107-E111 IonicContact NE-OE1 3.25Å; R107-E111 PolarHBondContact NE-OE1 3.34Å; R107-E111 IonicContact NE-OE2 2.67Å; R107-E111 PolarHBondContact NE-OE2 2.95Å; R107-E111 IonicContact NH2-OE1 2.87Å; R107-E111 PolarHBondContact NH2-OE1 3.1Å; R107-E111 WeakPolarHBondContact O-CG 3.48Å; R107-E111 PolarHBondContact O-N 2.76Å; R107-E111 VanDerWaalsContact O-N 3.07Å
108	S	72.3	Confident	63.6	Low	16 Å²	16	65.5 Å²	65.5	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-17	-176.6	-175	0	0	0	0	113.7	T105 V106 R112	T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 WeakPolarHBondContact OG1-CB 3.47Å; T105-S108 PolarHBondContact OG1-N 2.76Å; V106-S108 PolarHBondContact O-N 3.34Å; S108-R112 WeakPolarHBondContact O-CB 3.4Å; S108-R112 VanDerWaalsContact O-CD 3.29Å; S108-R112 WeakPolarHBondContact O-CD 3.44Å; S108-R112 VanDerWaalsContact O-CG 3.25Å; S108-R112 WeakPolarHBondContact O-CG 3.35Å; S108-R112 PolarHBondContact OG-NE 2.84Å
109	I	70.3	Confident	63.5	Low	5 Å²	5	62.2 Å²	62.2	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-86.1	-47.5	177.1	-61.4	142.1	0	0	0	109.4	F89 T91 M99 H104 T105 V106 R107 E111 R112 V113 L115 V117	F89-I109 HydrophobicContact CB-CD1 3.37Å; F89-I109 HydrophobicContact CB-CG1 4.23Å; F89-I109 HydrophobicContact CD1-CD1 4.2Å; F89-I109 HydrophobicContact CD2-CD1 3.35Å; F89-I109 HydrophobicContact CE2-CD1 4.11Å; F89-I109 HydrophobicContact CG-CD1 3.4Å; T91-I109 HydrophobicContact CG2-CG2 4.42Å; M99-I109 HydrophobicContact CE-CB 4.39Å; M99-I109 HydrophobicContact CE-CG1 3.71Å; M99-I109 HydrophobicContact CE-CG2 4.46Å; H104-I109 HydrophobicContact CB-CD1 3.94Å; H104-I109 HydrophobicContact CB-CG1 3.99Å; T105-I109 WeakPolarHBondContact O-CD1 3.19Å; T105-I109 PolarHBondContact O-N 2.94Å; V106-I109 PolarHBondContact O-N 3.36Å; R107-I109 PolarHBondContact O-N 3.1Å; I109-E111 VanDerWaalsContact C-N 3.27Å; I109-E111 PolarHBondContact O-N 3.09Å; I109-R112 PolarHBondContact O-N 3.07Å; I109-R112 VanDerWaalsContact O-N 3.09Å; I109-V113 HydrophobicContact CG2-CB 4.35Å; I109-V113 HydrophobicContact CG2-CG2 4.36Å; I109-V113 WeakPolarHBondContact O-CB 3.46Å; I109-V113 PolarHBondContact O-N 2.79Å; I109-L115 HydrophobicContact CG2-CD2 3.76Å; I109-V117 HydrophobicContact CG2-CG2 4.29Å
110	I	69.9	Low	63.3	Low	36 Å²	36	63 Å²	63	19%	0.185	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-40.7	175.6	-53.8	154.3	0	0	0	111.6	L68 F83 V106 R107 R112	L68-I110 HydrophobicContact CD1-CD1 3.81Å; L68-I110 HydrophobicContact CD1-CG1 3.74Å; L68-I110 HydrophobicContact CD2-CD1 3.45Å; L68-I110 VanDerWaalsContact CD2-CD1 3.45Å; L68-I110 HydrophobicContact CD2-CG1 3.88Å; L68-I110 HydrophobicContact CG-CD1 3.65Å; L68-I110 HydrophobicContact CG-CG1 4.12Å; F83-I110 HydrophobicContact CD1-CD1 4.02Å; F83-I110 HydrophobicContact CE1-CD1 3.57Å; F83-I110 HydrophobicContact CE2-CD1 4.27Å; F83-I110 HydrophobicContact CZ-CD1 3.71Å; V106-I110 HydrophobicContact CG1-CD1 3.99Å; V106-I110 WeakPolarHBondContact O-CD1 3.22Å; V106-I110 VanDerWaalsContact O-CG1 3.31Å; V106-I110 WeakPolarHBondContact O-CG1 3.09Å; V106-I110 PolarHBondContact O-N 2.92Å; R107-I110 PolarHBondContact O-N 3.1Å; I110-R112 PolarHBondContact O-N 3.03Å
111	E	71.3	Confident	62.9	Low	119 Å²	119	60.9 Å²	60.9	56%	0.556	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-5.4	-177.6	-70.4	175.6	163.3	0	0	113.2	R107 I109	R107-E111 HydrophobicContact CG-CG 4.38Å; R107-E111 IonicContact CZ-OE1 3.98Å; R107-E111 VanDerWaalsContact CZ-OE1 3.26Å; R107-E111 IonicContact NE-OE1 3.25Å; R107-E111 PolarHBondContact NE-OE1 3.34Å; R107-E111 IonicContact NE-OE2 2.67Å; R107-E111 PolarHBondContact NE-OE2 2.95Å; R107-E111 IonicContact NH2-OE1 2.87Å; R107-E111 PolarHBondContact NH2-OE1 3.1Å; R107-E111 WeakPolarHBondContact O-CG 3.48Å; R107-E111 PolarHBondContact O-N 2.76Å; R107-E111 VanDerWaalsContact O-N 3.07Å; I109-E111 VanDerWaalsContact C-N 3.27Å; I109-E111 PolarHBondContact O-N 3.09Å
112	R	63.4	Low	62.3	Low	177 Å²	177	60.5 Å²	60.5	67%	0.668	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	-18.6	-175.8	-63.1	-178.4	-173.1	179	0.3	115	S108 I109 I110	S108-R112 WeakPolarHBondContact O-CB 3.4Å; S108-R112 VanDerWaalsContact O-CD 3.29Å; S108-R112 WeakPolarHBondContact O-CD 3.44Å; S108-R112 VanDerWaalsContact O-CG 3.25Å; S108-R112 WeakPolarHBondContact O-CG 3.35Å; S108-R112 PolarHBondContact OG-NE 2.84Å; I109-R112 PolarHBondContact O-N 3.07Å; I109-R112 VanDerWaalsContact O-N 3.09Å; I110-R112 PolarHBondContact O-N 3.03Å
113	V	58.6	Low	61.1	Low	16 Å²	16	63.8 Å²	63.8	10%	0.097	31%	0.314	C	S	.	.			trans	-134.2	147.9	-164.9	-177	0	0	0	0	113.4	T91 E96 M99 I109 L115	T91-V113 HydrophobicContact CG2-CB 4.35Å; T91-V113 HydrophobicContact CG2-CG1 3.47Å; T91-V113 VanDerWaalsContact CG2-CG1 3.47Å; E96-V113 WeakPolarHBondContact OE1-CG1 3.48Å; E96-V113 WeakPolarHBondContact OE2-CG1 3.4Å; E96-V113 WeakPolarHBondContact OE2-CG2 3.49Å; M99-V113 HydrophobicContact CE-CG2 4.15Å; M99-V113 HydrophobicContact SD-CG2 3.72Å; I109-V113 HydrophobicContact CG2-CB 4.35Å; I109-V113 HydrophobicContact CG2-CG2 4.36Å; I109-V113 WeakPolarHBondContact O-CB 3.46Å; I109-V113 PolarHBondContact O-N 2.79Å; V113-L115 HydrophobicContact CB-CD2 3.85Å; V113-L115 HydrophobicContact CG1-CD2 3.89Å
114	R	54.2	Low	59.8	Low	236 Å²	236	65.4 Å²	65.4	89%	0.891	32%	0.316	S	S	*	.			trans	-91.3	105.9	166.2	-63.6	-179.5	179.3	-176.3	-0.5	109.6
115	L	54.7	Low	58.4	Low	41 Å²	41	68.8 Å²	68.8	22%	0.215	34%	0.341	C	S	.	.	S	Bend	trans	-73.9	140.6	-169.1	-44.3	-166.5	0	0	0	111.1	L32 L68 I109 V113 V117	L32-L115 HydrophobicContact CB-CB 4.34Å; L32-L115 HydrophobicContact CB-CD1 4.3Å; L32-L115 HydrophobicContact CD2-CD1 4.13Å; L68-L115 HydrophobicContact CD1-CD1 4.1Å; I109-L115 HydrophobicContact CG2-CD2 3.76Å; V113-L115 HydrophobicContact CB-CD2 3.85Å; V113-L115 HydrophobicContact CG1-CD2 3.89Å; L115-V117 HydrophobicContact CB-CG2 3.87Å; L115-V117 HydrophobicContact CD1-CG2 3.85Å; L115-V117 HydrophobicContact CD2-CG2 3.7Å; L115-V117 HydrophobicContact CG-CG2 3.98Å
116	P	54.4	Low	56.5	Low	51 Å²	51	72.9 Å²	72.9	33%	0.331	37%	0.368	S	S	.	.				-105	162.1	67.1	34.4	-38.1	0	0	0	115.3	T91 R92	T91-P116 WeakPolarHBondContact CA-O 3.35Å; T91-P116 VanDerWaalsContact CB-O 3.25Å; T91-P116 WeakPolarHBondContact CB-O 3.5Å; R92-P116 HydrophobicContact CB-CG 4.4Å; R92-P116 PolarHBondContact N-O 3.22Å
117	V	57.8	Low	55.1	Low	13 Å²	13	79.3 Å²	79.3	8%	0.079	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.2	-169.6	-169.1	0	0	0	0	111.2	L30 F89 C90 T91 I109 L115	L30-V117 WeakPolarHBondContact CA-O 3.47Å; L30-V117 WeakPolarHBondContact CB-O 3.35Å; L30-V117 PolarHBondContact N-O 3.16Å; L30-V117 PolarHBondContact O-N 3.34Å; L30-V117 VanDerWaalsContact O-N 3.12Å; L30-V117 VanDerWaalsContact O-O 3.12Å; F89-V117 HydrophobicContact CB-CG1 3.84Å; F89-V117 HydrophobicContact CD1-CG1 3.88Å; F89-V117 HydrophobicContact CG-CG1 4.35Å; C90-V117 CarbonylContact O-C 3.5Å; C90-V117 WeakPolarHBondContact O-CA 3.47Å; C90-V117 VanDerWaalsContact O-CG1 3.24Å; C90-V117 WeakPolarHBondContact O-CG1 3.5Å; T91-V117 HydrophobicContact CG2-CG1 4.44Å; T91-V117 HydrophobicContact CG2-CG2 4.01Å; I109-V117 HydrophobicContact CG2-CG2 4.29Å; L115-V117 HydrophobicContact CB-CG2 3.87Å; L115-V117 HydrophobicContact CD1-CG2 3.85Å; L115-V117 HydrophobicContact CD2-CG2 3.7Å; L115-V117 HydrophobicContact CG-CG2 3.98Å
118	N	55.4	Low	53.1	Low	34 Å²	34	76.8 Å²	76.8	18%	0.182	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.9	167.6	-66.8	7.4	0	0	0	109.3	D28 E29 C90	D28-N118 WeakPolarHBondContact O-CA 3.35Å; E29-N118 WeakPolarHBondContact CG-OD1 3.36Å; E29-N118 PolarHBondContact OE1-ND2 3.3Å; E29-N118 PolarHBondContact OE1-OD1 3.09Å; C90-N118 PolarHBondContact N-O 3.45Å; C90-N118 PolarHBondContact O-N 3.29Å
119	V	51.9	Low	51.5	Low	7 Å²	7	81.1 Å²	81.1	4%	0.042	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.4	-177.1	-171	0	0	0	0	110.7	L24 G27 D28 L30 F89	L24-V119 HydrophobicContact CD1-CB 4.11Å; L24-V119 HydrophobicContact CD1-CG1 3.82Å; L24-V119 HydrophobicContact CD1-CG2 3.98Å; G27-V119 PolarHBondContact N-O 3.41Å; D28-V119 PolarHBondContact N-O 3.05Å; D28-V119 PolarHBondContact O-N 2.88Å; L30-V119 HydrophobicContact CD1-CG2 3.45Å; L30-V119 VanDerWaalsContact CD1-CG2 3.45Å; L30-V119 HydrophobicContact CG-CG2 3.86Å; F89-V119 HydrophobicContact CD1-CB 4.48Å; F89-V119 HydrophobicContact CD1-CG1 4.3Å; F89-V119 HydrophobicContact CD1-CG2 3.75Å; F89-V119 HydrophobicContact CE1-CG1 4.09Å; F89-V119 HydrophobicContact CE1-CG2 3.74Å
120	S	50.6	Low	49.9	Very low	44 Å²	44	90.2 Å²	90.2	31%	0.308	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.2	163.6	56.3	0	0	0	0	109.5	R88	R88-S120 WeakPolarHBondContact CB-OG 3.48Å; R88-S120 PolarHBondContact N-O 3.45Å; R88-S120 PolarHBondContact O-N 3.48Å; R88-S120 PolarHBondContact O-OG 2.83Å
121	V	45.4	Very low	48.3	Very low	62 Å²	62	92.4 Å²	92.4	38%	0.376	46%	0.464	S	S	.	.			trans	-74.1	129.9	173.9	176.8	0	0	0	0	108.2	L24 S123	L24-V121 HydrophobicContact CB-CG2 3.97Å; L24-V121 WeakPolarHBondContact O-CG2 3.46Å; V121-S123 PolarHBondContact O-N 3.14Å
122	P	42.7	Very low	47	Very low	68 Å²	68	95.9 Å²	95.9	44%	0.442	47%	0.472	S	S	.	.			trans	-74.4	79.7	172.2	31.9	-34.3	0	0	0	109.7
123	S	39.5	Very low	46.1	Very low	93 Å²	93	93 Å²	93	65%	0.65	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-58	138	154.2	47.5	0	0	0	0	108	V121	V121-S123 PolarHBondContact O-N 3.14Å
124	R	43.2	Very low	45.6	Very low	143 Å²	143	94.6 Å²	94.6	54%	0.54	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-60	135.7	157.8	-69.4	-169.9	-174.9	-141	4.6	106.2	E12	E12-R124 IonicContact OE1-CZ 3.74Å; E12-R124 IonicContact OE1-NH2 3.95Å; E12-R124 PolarHBondContact OE1-NH2 2.68Å; E12-R124 IonicContact OE2-CZ 2.76Å; E12-R124 IonicContact OE2-NH2 3.93Å; E12-R124 PolarHBondContact OE2-NH2 2.69Å
125	P	38.8	Very low	45.4	Very low	104 Å²	104	86 Å²	86	68%	0.675	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-49.8	149.2	160.2	-22.9	33.6	0	0	0	108.8	R127	P125-R127 PolarHBondContact O-N 3.33Å
126	P	38.2	Very low	44.9	Very low	128 Å²	128	92 Å²	92	83%	0.831	48%	0.479	S	S	*	.	S	Bend	trans	-49	123.8	171.3	21.8	-32.5	0	0	0	108.1
127	R	47.9	Very low	44.6	Very low	137 Å²	137	94 Å²	94	52%	0.517	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-53.4	144.3	-172.7	-106.1	179.2	-174.6	-122.4	14.6	109.3	P125 D131	P125-R127 PolarHBondContact O-N 3.33Å; R127-D131 HydrophobicContact CB-CB 4Å; R127-D131 WeakPolarHBondContact CB-OD2 3.39Å; R127-D131 WeakPolarHBondContact CD-OD1 3.43Å; R127-D131 WeakPolarHBondContact CG-OD2 3.41Å; R127-D131 IonicContact CZ-OD1 3.42Å; R127-D131 IonicContact NE-OD1 2.86Å; R127-D131 IonicContact NH1-OD1 3.26Å; R127-D131 PolarHBondContact NH1-OD1 3.03Å
128	N	35.1	Very low	44.1	Very low	83 Å²	83	97 Å²	97	44%	0.444	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-47.3	142.1	-169	-174.3	-24.8	0	0	0	110.3	Y130 D131	N128-Y130 PolarHBondContact O-N 3.3Å; N128-Y130 WeakPolarHBondContact OD1-CD2 3.49Å; N128-Y130 PolarHBondContact OD1-N 3.39Å; N128-Y130 VanDerWaalsContact OD1-N 3.14Å; N128-D131 WeakPolarHBondContact CB-OD2 3.47Å; N128-D131 PolarHBondContact N-OD2 3.48Å; N128-D131 VanDerWaalsContact O-CB 3.31Å; N128-D131 WeakPolarHBondContact O-CB 3.45Å; N128-D131 PolarHBondContact O-N 3.04Å
129	P	38.6	Very low	43.5	Very low	107 Å²	107	100.7 Å²	100.7	70%	0.695	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-50.4	-24.8	172.3	17.6	-31.9	0	0	0	113.7	D131 R132	P129-D131 VanDerWaalsContact C-N 3.35Å; P129-D131 PolarHBondContact O-N 2.9Å; P129-R132 PolarHBondContact O-N 2.82Å
130	Y	35.7	Very low	43.3	Very low	196 Å²	196	111.2 Å²	111.2	77%	0.769	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-72.6	-13.5	171.6	-55.8	-55.1	0	0	0	115.8	N128 R132	N128-Y130 PolarHBondContact O-N 3.3Å; N128-Y130 WeakPolarHBondContact OD1-CD2 3.49Å; N128-Y130 PolarHBondContact OD1-N 3.39Å; N128-Y130 VanDerWaalsContact OD1-N 3.14Å; Y130-R132 PolarHBondContact O-N 2.82Å
131	D	36.8	Very low	43.6	Very low	81 Å²	81	114.3 Å²	114.3	43%	0.433	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-69	-19.4	168.2	-76.7	-90	0	0	0	111.7	R127 N128 P129 H133	R127-D131 HydrophobicContact CB-CB 4Å; R127-D131 WeakPolarHBondContact CB-OD2 3.39Å; R127-D131 WeakPolarHBondContact CD-OD1 3.43Å; R127-D131 WeakPolarHBondContact CG-OD2 3.41Å; R127-D131 IonicContact CZ-OD1 3.42Å; R127-D131 IonicContact NE-OD1 2.86Å; R127-D131 IonicContact NH1-OD1 3.26Å; R127-D131 PolarHBondContact NH1-OD1 3.03Å; N128-D131 WeakPolarHBondContact CB-OD2 3.47Å; N128-D131 PolarHBondContact N-OD2 3.48Å; N128-D131 VanDerWaalsContact O-CB 3.31Å; N128-D131 WeakPolarHBondContact O-CB 3.45Å; N128-D131 PolarHBondContact O-N 3.04Å; P129-D131 VanDerWaalsContact C-N 3.35Å; P129-D131 PolarHBondContact O-N 2.9Å; D131-H133 PolarHBondContact O-N 3.1Å; D131-H133 VanDerWaalsContact O-N 3.15Å
132	R	43.8	Very low	44	Very low	192 Å²	192	119.7 Å²	119.7	73%	0.725	60%	0.596	S	S	*	*	S	Bend	trans	-81.9	74.9	169.1	-86.7	-176.4	144.3	-151.6	-6.4	110.6	P129 Y130 G134 E189	P129-R132 PolarHBondContact O-N 2.82Å; Y130-R132 PolarHBondContact O-N 2.82Å; R132-G134 PolarHBondContact O-N 3.36Å; R132-E189 IonicContact CZ-OE1 2.78Å; R132-E189 IonicContact NH1-OE1 3.45Å; R132-E189 PolarHBondContact NH1-OE1 2.94Å; R132-E189 IonicContact NH2-OE1 3.6Å; R132-E189 PolarHBondContact NH2-OE1 3.38Å
133	H	44.9	Very low	44.7	Very low	117 Å²	117	119.8 Å²	119.8	54%	0.542	59%	0.593	S	S	.	*			trans	-71.3	117.5	172.9	-178.7	73.6	0	0	0	112	D131 V135 Y141	D131-H133 PolarHBondContact O-N 3.1Å; D131-H133 VanDerWaalsContact O-N 3.15Å; H133-V135 PolarHBondContact O-N 3.26Å; H133-Y141 AromaticContact CD2-CE1 3.87Å; H133-Y141 AromaticContact NE2-CE1 3.36Å; H133-Y141 WeakPolarHBondContact NE2-CE1 3.29Å; H133-Y141 AromaticContact NE2-CZ 3.65Å; H133-Y141 PolarHBondContact NE2-OH 2.99Å
134	G	47.3	Very low	45.1	Very low	50 Å²	50	121.1 Å²	121.1	52%	0.515	59%	0.592	S	S	.	*			trans	-72.2	103.1	172.9	0	0	0	0	0	112.2	R132 R136	R132-G134 PolarHBondContact O-N 3.36Å; G134-R136 PolarHBondContact O-N 3Å
135	V	49.8	Very low	45.1	Very low	55 Å²	55	121.8 Å²	121.8	33%	0.333	61%	0.606	S	S	.	*			trans	-59.3	126.6	172.8	172.7	0	0	0	0	109.8	F6 H133 Y141	F6-V135 HydrophobicContact CB-CG2 4.14Å; F6-V135 HydrophobicContact CD2-CB 4.23Å; F6-V135 HydrophobicContact CD2-CG1 3.98Å; F6-V135 HydrophobicContact CD2-CG2 3.93Å; F6-V135 HydrophobicContact CE2-CG1 4.2Å; F6-V135 HydrophobicContact CG-CG2 4.34Å; H133-V135 PolarHBondContact O-N 3.26Å; V135-Y141 HydrophobicContact CB-CE2 4.4Å; V135-Y141 HydrophobicContact CG1-CD2 4.41Å; V135-Y141 HydrophobicContact CG1-CE2 3.8Å; V135-Y141 HydrophobicContact CG2-CE2 4.47Å
136	R	45.5	Very low	45.7	Very low	167 Å²	167	119.5 Å²	119.5	63%	0.63	59%	0.588	S	S	*	*			trans	-104.6	147.1	178.5	-66.9	-178.3	-179.6	-95.2	0.3	110.5	G134 H139 Y141	G134-R136 PolarHBondContact O-N 3Å; R136-H139 HydrophobicContact CB-CB 4.43Å; R136-H139 PolarHBondContact O-N 2.94Å; R136-Y141 PolarHBondContact N-OH 2.87Å
137	E	47.7	Very low	46.2	Very low	92 Å²	92	119.3 Å²	119.3	43%	0.43	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.6	149	175.2	-172	162.2	-175.1	0	0	111.8	H139 V178 E180	E137-H139 PolarHBondContact O-N 3.29Å; E137-H139 PolarHBondContact O-ND1 3.46Å; E137-V178 HydrophobicContact CB-CG1 4.49Å; E137-V178 HydrophobicContact CG-CG1 4.41Å; E137-E180 WeakPolarHBondContact OE1-CA 3.37Å; E137-E180 WeakPolarHBondContact OE1-CB 3.43Å; E137-E180 PolarHBondContact OE1-N 3.19Å; E137-E180 WeakPolarHBondContact OE2-CA 3.46Å
138	G	46.7	Very low	46.5	Very low	76 Å²	76	116.1 Å²	116.1	78%	0.784	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.3	-12.3	-175.9	0	0	0	0	0	116.3
139	H	43.9	Very low	47.5	Very low	112 Å²	112	118 Å²	118	52%	0.519	59%	0.587	S	S	.	*			trans	-83.8	131.6	-173.9	-70.9	58	0	0	0	112.3	R136 E137 Y141	R136-H139 HydrophobicContact CB-CB 4.43Å; R136-H139 PolarHBondContact O-N 2.94Å; E137-H139 PolarHBondContact O-N 3.29Å; E137-H139 PolarHBondContact O-ND1 3.46Å; H139-Y141 HydrophobicContact CB-CD2 4.46Å; H139-Y141 HydrophobicContact CB-CE2 3.61Å; H139-Y141 WeakPolarHBondContact O-CD2 3.46Å; H139-Y141 WeakPolarHBondContact O-CE2 3.25Å
140	R	47.5	Very low	48.4	Very low	228 Å²	228	113.3 Å²	113.3	86%	0.86	56%	0.557	S	S	*	*			trans	-93.7	108.3	178.4	-66.4	174.6	69.7	169.5	-0.7	110.3
141	Y	56.8	Low	49.6	Very low	109 Å²	109	104 Å²	104	43%	0.427	52%	0.52	S	S	.	.			trans	-88.6	133.4	179.2	-64.8	-81.6	0	0	0	111.6	H133 V135 R136 H139	H133-Y141 AromaticContact CD2-CE1 3.87Å; H133-Y141 AromaticContact NE2-CE1 3.36Å; H133-Y141 WeakPolarHBondContact NE2-CE1 3.29Å; H133-Y141 AromaticContact NE2-CZ 3.65Å; H133-Y141 PolarHBondContact NE2-OH 2.99Å; V135-Y141 HydrophobicContact CB-CE2 4.4Å; V135-Y141 HydrophobicContact CG1-CD2 4.41Å; V135-Y141 HydrophobicContact CG1-CE2 3.8Å; V135-Y141 HydrophobicContact CG2-CE2 4.47Å; R136-Y141 PolarHBondContact N-OH 2.87Å; H139-Y141 HydrophobicContact CB-CD2 4.46Å; H139-Y141 HydrophobicContact CB-CE2 3.61Å; H139-Y141 WeakPolarHBondContact O-CD2 3.46Å; H139-Y141 WeakPolarHBondContact O-CE2 3.25Å
142	K	52.6	Low	50.8	Low	175 Å²	175	100.3 Å²	100.3	76%	0.761	50%	0.5	S	S	*	.			trans	-112.5	117.8	171.5	-176.1	177.8	179.8	-179.5	0	109.1	L144	K142-L144 HydrophobicContact CD-CD2 3.98Å; K142-L144 HydrophobicContact CG-CD2 4.01Å
143	L	58.6	Low	51.3	Low	70 Å²	70	91.3 Å²	91.3	37%	0.366	47%	0.467	S	S	.	.			trans	-77.9	137.7	173.2	-63.3	167.6	0	0	0	109.3	I146 L169	L143-I146 HydrophobicContact CB-CD1 3.9Å; L143-I146 HydrophobicContact CB-CG1 4.31Å; L143-L169 HydrophobicContact CD1-CD1 3.76Å; L143-L169 HydrophobicContact CD1-CD2 3.58Å; L143-L169 HydrophobicContact CD1-CG 4.36Å
144	L	47.9	Very low	52	Low	122 Å²	122	86 Å²	86	64%	0.639	44%	0.443	S	S	*	.			trans	-127.6	155.2	-176.1	-60.2	176.6	0	0	0	109.6	K142 I146	K142-L144 HydrophobicContact CD-CD2 3.98Å; K142-L144 HydrophobicContact CG-CD2 4.01Å; L144-I146 VanDerWaalsContact C-N 3.31Å; L144-I146 PolarHBondContact O-N 3.44Å
145	N	42.2	Very low	52.3	Low	157 Å²	157	84.4 Å²	84.4	84%	0.84	42%	0.422	S	S	*	.			trans	51.5	43.1	174.9	-58.4	-4.8	0	0	0	114.4	V147	N145-V147 PolarHBondContact O-N 3.45Å
146	I	52.9	Low	52.5	Low	55 Å²	55	83.6 Å²	83.6	28%	0.282	42%	0.417	S	S	.	.			trans	-72	113.7	177	-59.5	159.3	0	0	0	109.2	L143 L144 L169 M173	L143-I146 HydrophobicContact CB-CD1 3.9Å; L143-I146 HydrophobicContact CB-CG1 4.31Å; L144-I146 VanDerWaalsContact C-N 3.31Å; L144-I146 PolarHBondContact O-N 3.44Å; I146-L169 HydrophobicContact CD1-CB 4.28Å; I146-L169 HydrophobicContact CD1-CD1 3.8Å; I146-L169 HydrophobicContact CD1-CG 4.47Å; I146-L169 HydrophobicContact CG1-CD1 3.97Å; I146-L169 HydrophobicContact CG2-CB 4.08Å; I146-L169 HydrophobicContact CG2-CD1 4.1Å; I146-M173 HydrophobicContact CD1-CE 3.41Å; I146-M173 VanDerWaalsContact CD1-CE 3.41Å
147	V	47	Very low	52.6	Low	124 Å²	124	77.7 Å²	77.7	75%	0.752	40%	0.398	S	S	*	.			trans	-101.2	95.9	178.3	-175.1	0	0	0	0	109.9	N145	N145-V147 PolarHBondContact O-N 3.45Å
148	S	54.8	Low	52.8	Low	70 Å²	70	79.2 Å²	79.2	49%	0.49	40%	0.4	S	S	.	.	S	Bend	trans	65.2	-151.1	177.9	83	0	0	0	0	115.7	T150 L170	S148-T150 VanDerWaalsContact C-N 3.29Å; S148-T150 PolarHBondContact O-N 2.84Å; S148-L170 WeakPolarHBondContact O-CD2 3.44Å
149	K	56.2	Low	52.8	Low	122 Å²	122	86.7 Å²	86.7	53%	0.53	40%	0.404	S	S	.	.			trans	-73.8	62.5	-160.5	-65.6	171	-175.3	162.5	0	114	V151 L170 R207	K149-V151 PolarHBondContact O-N 3.26Å; K149-L170 HydrophobicContact CB-CD1 4.39Å; K149-L170 HydrophobicContact CG-CD1 3.65Å; K149-R207 WeakPolarHBondContact O-CD 3.34Å
150	T	57.8	Low	53	Low	10 Å²	10	91 Å²	91	6%	0.061	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-67.8	126.3	173	-53.8	0	0	0	0	111.4	V8 S148 L169	V8-T150 HydrophobicContact CG1-CG2 4.32Å; S148-T150 VanDerWaalsContact C-N 3.29Å; S148-T150 PolarHBondContact O-N 2.84Å; T150-L169 HydrophobicContact CG2-CD1 3.82Å; T150-L169 PolarHBondContact O-N 3.38Å; T150-L169 VanDerWaalsContact O-N 3.1Å
151	V	60.1	Low	53.1	Low	0 Å²	0	85.8 Å²	85.8	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.6	164.7	178.7	0	0	0	0	108.7	K149 H166 F167 L168 V206 R207	K149-V151 PolarHBondContact O-N 3.26Å; V151-H166 HydrophobicContact CG1-CB 3.97Å; V151-F167 WeakPolarHBondContact CA-O 2.96Å; V151-L168 HydrophobicContact CG2-CD2 3.63Å; V151-V206 HydrophobicContact CG1-CG1 4.12Å; V151-V206 HydrophobicContact CG2-CB 4.31Å; V151-V206 HydrophobicContact CG2-CG1 3.69Å; V151-R207 HydrophobicContact CG2-CG 3.62Å
152	V	61.9	Low	52.9	Low	4 Å²	4	82.7 Å²	82.7	2%	0.024	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.1	163.5	179.6	0	0	0	0	108.3	V8 H166 F167 L169	V8-V152 HydrophobicContact CG1-CG2 4.42Å; V8-V152 HydrophobicContact CG2-CG1 4.3Å; V8-V152 HydrophobicContact CG2-CG2 4.39Å; V152-H166 VanDerWaalsContact O-CA 3.28Å; V152-H166 WeakPolarHBondContact O-CA 3.34Å; V152-F167 HydrophobicContact CB-CD1 4.1Å; V152-F167 HydrophobicContact CB-CD2 4.2Å; V152-F167 HydrophobicContact CB-CE1 3.61Å; V152-F167 HydrophobicContact CB-CE2 3.73Å; V152-F167 HydrophobicContact CB-CG 4.38Å; V152-F167 HydrophobicContact CB-CZ 3.42Å; V152-F167 VanDerWaalsContact CB-CZ 3.42Å; V152-F167 HydrophobicContact CG1-CD1 4.43Å; V152-F167 HydrophobicContact CG1-CE1 3.56Å; V152-F167 HydrophobicContact CG1-CE2 4.29Å; V152-F167 HydrophobicContact CG1-CZ 3.49Å; V152-F167 VanDerWaalsContact CG1-CZ 3.49Å; V152-F167 HydrophobicContact CG2-CE2 3.84Å; V152-F167 HydrophobicContact CG2-CZ 3.87Å; V152-F167 PolarHBondContact N-O 2.99Å; V152-F167 PolarHBondContact O-N 3.44Å; V152-L169 HydrophobicContact CG2-CD1 3.91Å; V152-L169 HydrophobicContact CG2-CD2 4.06Å; V152-L169 HydrophobicContact CG2-CG 3.91Å
153	L	56.1	Low	52.9	Low	3 Å²	3	76 Å²	76	2%	0.016	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133	176.2	-101.4	158	0	0	0	109.8	Q7 V9 P164 F197 P199 Y202	Q7-L153 PolarHBondContact N-O 2.86Å; Q7-L153 WeakPolarHBondContact O-CB 3.4Å; Q7-L153 PolarHBondContact O-N 3.5Å; V9-L153 HydrophobicContact CG2-CD1 3.99Å; L153-P164 HydrophobicContact CD2-CB 4.42Å; L153-F197 HydrophobicContact CD2-CE1 4.35Å; L153-F197 HydrophobicContact CD2-CZ 4.08Å; L153-P199 HydrophobicContact CD1-CB 3.87Å; L153-P199 WeakPolarHBondContact CD1-O 3.28Å; L153-Y202 HydrophobicContact CD1-CD1 3.98Å; L153-Y202 HydrophobicContact CD2-CD1 3.7Å; L153-Y202 HydrophobicContact CD2-CE1 3.76Å; L153-Y202 HydrophobicContact CG-CD1 4.14Å; L153-Y202 HydrophobicContact CG-CE1 4.46Å
154	C	58.2	Low	52.8	Low	6 Å²	6	75 Å²	75	4%	0.041	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.2	177	-65.3	0	0	0	0	109.2	L5 F6 S165	L5-C154 WeakPolarHBondContact O-CA 3.37Å; F6-C154 WeakPolarHBondContact CD1-SG 3.32Å; F6-C154 WeakPolarHBondContact CE1-SG 3.5Å; C154-S165 PolarHBondContact N-O 2.9Å; C154-S165 PolarHBondContact O-N 2.8Å; C154-S165 VanDerWaalsContact O-O 3.1Å
155	L	54.3	Low	53.2	Low	16 Å²	16	71.6 Å²	71.6	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	112	171.7	-67.3	159	0	0	0	107.7	V3 A4 L5 V162 P164 L192	V3-L155 VanDerWaalsContact O-O 3.13Å; A4-L155 WeakPolarHBondContact CA-O 3.37Å; L5-L155 PolarHBondContact N-O 3.27Å; L5-L155 PolarHBondContact O-N 2.88Å; L155-V162 HydrophobicContact CB-CG1 4.25Å; L155-V162 HydrophobicContact CD2-CG1 3.93Å; L155-P164 HydrophobicContact CD2-CB 4.24Å; L155-L192 HydrophobicContact CD1-CD1 4.05Å; L155-L192 HydrophobicContact CD1-CD2 3.76Å; L155-L192 HydrophobicContact CD1-CG 4.32Å
156	V	53.9	Low	54.4	Low	38 Å²	38	68.3 Å²	68.3	23%	0.23	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	103.2	176.8	-177.6	0	0	0	0	108.1	R158 S163	V156-R158 HydrophobicContact CG1-CG 4.35Å; V156-R158 PolarHBondContact O-N 3.38Å; V156-S163 PolarHBondContact N-O 3.45Å; V156-S163 VanDerWaalsContact N-O 3.08Å; V156-S163 PolarHBondContact O-N 3.48Å; V156-S163 VanDerWaalsContact O-N 3.15Å; V156-S163 PolarHBondContact O-OG 2.84Å
157	L	48	Very low	54.9	Low	42 Å²	42	67.3 Å²	67.3	22%	0.22	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	101.9	179.3	-163.6	140.9	0	0	0	109.6	C2 V3 V162 L188 L191	C2-L157 WeakPolarHBondContact CA-O 3.41Å; V3-L157 HydrophobicContact CB-CB 4.03Å; V3-L157 PolarHBondContact N-O 3.4Å; V3-L157 PolarHBondContact O-N 2.86Å; L157-V162 HydrophobicContact CD1-CG2 3.79Å; L157-V162 HydrophobicContact CG-CG2 4.03Å; L157-L188 HydrophobicContact CD1-CB 4.42Å; L157-L188 HydrophobicContact CD1-CD1 3.92Å; L157-L191 HydrophobicContact CD1-CD1 4.21Å
158	R	50.5	Low	55.7	Low	125 Å²	125	64 Å²	64	47%	0.472	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	170.8	169.4	-64.6	-175.1	177.6	-175.6	1.6	109.6	V156 Q160 E161	V156-R158 HydrophobicContact CG1-CG 4.35Å; V156-R158 PolarHBondContact O-N 3.38Å; R158-Q160 PolarHBondContact O-N 3.2Å; R158-E161 PolarHBondContact N-O 2.95Å; R158-E161 PolarHBondContact O-N 2.9Å
159	R	48.4	Very low	55.9	Low	233 Å²	233	61.3 Å²	61.3	88%	0.879	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.4	-166.6	-113.9	-179.4	175.7	174.6	-1.9	116.5
160	Q	46.8	Very low	55.9	Low	203 Å²	203	60.4 Å²	60.4	95%	0.949	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.4	12.2	173.7	-66	-173.7	-8.3	0	0	113.4	R158	R158-Q160 PolarHBondContact O-N 3.2Å
161	E	49.9	Very low	55.4	Low	118 Å²	118	67.6 Å²	67.6	55%	0.551	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	139.1	-168	-171.8	-172.9	-164.9	0	0	111.4	R158	R158-E161 PolarHBondContact N-O 2.95Å; R158-E161 PolarHBondContact O-N 2.9Å
162	V	52.1	Low	54.9	Low	44 Å²	44	71.5 Å²	71.5	27%	0.267	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.6	174.7	-172.8	0	0	0	0	108.8	L155 L157 L191	L155-V162 HydrophobicContact CB-CG1 4.25Å; L155-V162 HydrophobicContact CD2-CG1 3.93Å; L157-V162 HydrophobicContact CD1-CG2 3.79Å; L157-V162 HydrophobicContact CG-CG2 4.03Å; V162-L191 HydrophobicContact CG2-CD1 3.9Å
163	S	53	Low	54.2	Low	33 Å²	33	77 Å²	77	23%	0.231	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.6	177.1	48.4	0	0	0	0	111.6	V156 S165	V156-S163 PolarHBondContact N-O 3.45Å; V156-S163 VanDerWaalsContact N-O 3.08Å; V156-S163 PolarHBondContact O-N 3.48Å; V156-S163 VanDerWaalsContact O-N 3.15Å; V156-S163 PolarHBondContact O-OG 2.84Å; S163-S165 PolarHBondContact O-N 3.26Å
164	P	56.7	Low	53.7	Low	51 Å²	51	79.1 Å²	79.1	33%	0.331	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	116.3	170.4	29.5	-31.8	0	0	0	109.6	L153 L155 F197 Y202	L153-P164 HydrophobicContact CD2-CB 4.42Å; L155-P164 HydrophobicContact CD2-CB 4.24Å; P164-F197 HydrophobicContact CB-CE2 4.06Å; P164-F197 HydrophobicContact CB-CZ 3.89Å; P164-F197 HydrophobicContact CG-CE2 4.24Å; P164-Y202 HydrophobicContact CB-CE2 4.46Å; P164-Y202 HydrophobicContact CG-CE2 4.38Å
165	S	56.8	Low	53.1	Low	50 Å²	50	89.6 Å²	89.6	35%	0.35	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149.6	173.3	-58	0	0	0	0	109.3	C154 S163	C154-S165 PolarHBondContact N-O 2.9Å; C154-S165 PolarHBondContact O-N 2.8Å; C154-S165 VanDerWaalsContact O-O 3.1Å; S163-S165 PolarHBondContact O-N 3.26Å
166	H	67.3	Low	52.7	Low	87 Å²	87	93.6 Å²	93.6	40%	0.403	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158.6	180	68.4	-102.6	0	0	0	112.5	V151 V152 Y202 V206	V151-H166 HydrophobicContact CG1-CB 3.97Å; V152-H166 VanDerWaalsContact O-CA 3.28Å; V152-H166 WeakPolarHBondContact O-CA 3.34Å; H166-Y202 HydrophobicContact CB-CE1 4.14Å; H166-Y202 AromaticContact ND1-CE1 3.55Å; H166-Y202 AromaticContact ND1-CZ 3.73Å; H166-Y202 PolarHBondContact ND1-OH 3.34Å; H166-V206 VanDerWaalsContact CD2-CG1 3.48Å; H166-V206 WeakPolarHBondContact CD2-CG1 3.32Å
167	F	63.6	Low	51.9	Low	35 Å²	35	99.5 Å²	99.5	15%	0.154	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.3	172.2	60.9	-87.5	0	0	0	112.7	V151 V152 L169 P174 F176	V151-F167 WeakPolarHBondContact CA-O 2.96Å; V152-F167 HydrophobicContact CB-CD1 4.1Å; V152-F167 HydrophobicContact CB-CD2 4.2Å; V152-F167 HydrophobicContact CB-CE1 3.61Å; V152-F167 HydrophobicContact CB-CE2 3.73Å; V152-F167 HydrophobicContact CB-CG 4.38Å; V152-F167 HydrophobicContact CB-CZ 3.42Å; V152-F167 VanDerWaalsContact CB-CZ 3.42Å; V152-F167 HydrophobicContact CG1-CD1 4.43Å; V152-F167 HydrophobicContact CG1-CE1 3.56Å; V152-F167 HydrophobicContact CG1-CE2 4.29Å; V152-F167 HydrophobicContact CG1-CZ 3.49Å; V152-F167 VanDerWaalsContact CG1-CZ 3.49Å; V152-F167 HydrophobicContact CG2-CE2 3.84Å; V152-F167 HydrophobicContact CG2-CZ 3.87Å; V152-F167 PolarHBondContact N-O 2.99Å; V152-F167 PolarHBondContact O-N 3.44Å; F167-L169 HydrophobicContact CD2-CD2 4.11Å; F167-L169 HydrophobicContact CE2-CD2 3.57Å; F167-L169 HydrophobicContact CE2-CG 4.46Å; F167-P174 HydrophobicContact CD1-CG 4.06Å; F167-P174 HydrophobicContact CD2-CG 3.5Å; F167-P174 HydrophobicContact CE1-CG 3.86Å; F167-P174 VanDerWaalsContact CE2-CD 3.5Å; F167-P174 HydrophobicContact CE2-CG 3.26Å; F167-P174 HydrophobicContact CG-CG 3.88Å; F167-P174 HydrophobicContact CZ-CG 3.46Å; F167-P174 VanDerWaalsContact CZ-CG 3.46Å; F167-F176 HydrophobicContact CD1-CZ 4.03Å; F167-F176 AromaticContact CE1-CE2 3.72Å; F167-F176 HydrophobicContact CE1-CE2 3.72Å; F167-F176 AromaticContact CE1-CZ 3.43Å; F167-F176 HydrophobicContact CE1-CZ 3.43Å; F167-F176 VanDerWaalsContact CE1-CZ 3.43Å; F167-F176 AromaticContact CZ-CE2 3.75Å; F167-F176 HydrophobicContact CZ-CE2 3.75Å; F167-F176 AromaticContact CZ-CZ 3.93Å; F167-F176 HydrophobicContact CZ-CZ 3.93Å
168	L	62.7	Low	51.6	Low	53 Å²	53	99.7 Å²	99.7	28%	0.277	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.1	179.2	-70	170	0	0	0	110.8	V151 L170 R171 C172	V151-L168 HydrophobicContact CG2-CD2 3.63Å; L168-L170 PolarHBondContact O-N 2.86Å; L168-L170 VanDerWaalsContact O-N 3.09Å; L168-R171 PolarHBondContact O-N 3.29Å; L168-R171 VanDerWaalsContact O-N 3.1Å; L168-C172 PolarHBondContact O-N 3.17Å
169	L	59.9	Low	51	Low	15 Å²	15	96.3 Å²	96.3	8%	0.079	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.7	-175.3	-72	179	0	0	0	115.2	L143 I146 T150 V152 F167 M173	L143-L169 HydrophobicContact CD1-CD1 3.76Å; L143-L169 HydrophobicContact CD1-CD2 3.58Å; L143-L169 HydrophobicContact CD1-CG 4.36Å; I146-L169 HydrophobicContact CD1-CB 4.28Å; I146-L169 HydrophobicContact CD1-CD1 3.8Å; I146-L169 HydrophobicContact CD1-CG 4.47Å; I146-L169 HydrophobicContact CG1-CD1 3.97Å; I146-L169 HydrophobicContact CG2-CB 4.08Å; I146-L169 HydrophobicContact CG2-CD1 4.1Å; T150-L169 HydrophobicContact CG2-CD1 3.82Å; T150-L169 PolarHBondContact O-N 3.38Å; T150-L169 VanDerWaalsContact O-N 3.1Å; V152-L169 HydrophobicContact CG2-CD1 3.91Å; V152-L169 HydrophobicContact CG2-CD2 4.06Å; V152-L169 HydrophobicContact CG2-CG 3.91Å; F167-L169 HydrophobicContact CD2-CD2 4.11Å; F167-L169 HydrophobicContact CE2-CD2 3.57Å; F167-L169 HydrophobicContact CE2-CG 4.46Å; L169-M173 HydrophobicContact CD2-SD 4.46Å
170	L	55	Low	50.5	Low	102 Å²	102	92.9 Å²	92.9	53%	0.534	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.6	176.4	-62.1	-169.2	0	0	0	114.6	S148 K149 L168	S148-L170 WeakPolarHBondContact O-CD2 3.44Å; K149-L170 HydrophobicContact CB-CD1 4.39Å; K149-L170 HydrophobicContact CG-CD1 3.65Å; L168-L170 PolarHBondContact O-N 2.86Å; L168-L170 VanDerWaalsContact O-N 3.09Å
171	R	49.2	Very low	50.3	Low	161 Å²	161	84.8 Å²	84.8	61%	0.608	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-39.7	179.2	-83.4	-176.4	166.1	156.9	-4.1	112.9	L168	L168-R171 PolarHBondContact O-N 3.29Å; L168-R171 VanDerWaalsContact O-N 3.1Å
172	C	48.2	Very low	50	Low	83 Å²	83	83.6 Å²	83.6	56%	0.561	44%	0.44	S	S	*	.			trans	-136.9	138.9	-179.7	-62.5	0	0	0	0	111.9	L168 P174	L168-C172 PolarHBondContact O-N 3.17Å; C172-P174 VanDerWaalsContact C-CD 3.48Å; C172-P174 WeakPolarHBondContact O-CD 3.13Å
173	M	47.3	Very low	49.8	Very low	118 Å²	118	86.6 Å²	86.6	58%	0.581	46%	0.459	S	S	*	.			trans	-101.2	85.3	162.7	-84.9	-80.3	-177.4	0	0	108.9	I146 L169	I146-M173 HydrophobicContact CD1-CE 3.41Å; I146-M173 VanDerWaalsContact CD1-CE 3.41Å; L169-M173 HydrophobicContact CD2-SD 4.46Å
174	P	46.2	Very low	49.8	Very low	48 Å²	48	92.5 Å²	92.5	31%	0.312	48%	0.482	S	S	.	.			trans	-66.6	145.3	-178.4	27.7	-35.7	0	0	0	112.1	F167 C172 F176	F167-P174 HydrophobicContact CD1-CG 4.06Å; F167-P174 HydrophobicContact CD2-CG 3.5Å; F167-P174 HydrophobicContact CE1-CG 3.86Å; F167-P174 VanDerWaalsContact CE2-CD 3.5Å; F167-P174 HydrophobicContact CE2-CG 3.26Å; F167-P174 HydrophobicContact CG-CG 3.88Å; F167-P174 HydrophobicContact CZ-CG 3.46Å; F167-P174 VanDerWaalsContact CZ-CG 3.46Å; C172-P174 VanDerWaalsContact C-CD 3.48Å; C172-P174 WeakPolarHBondContact O-CD 3.13Å; P174-F176 HydrophobicContact CB-CE1 4.23Å; P174-F176 HydrophobicContact CB-CE2 3.73Å; P174-F176 HydrophobicContact CB-CZ 3.56Å; P174-F176 HydrophobicContact CG-CE2 3.49Å; P174-F176 VanDerWaalsContact CG-CE2 3.49Å; P174-F176 HydrophobicContact CG-CZ 3.49Å; P174-F176 VanDerWaalsContact CG-CZ 3.49Å
175	R	45.8	Very low	49.5	Very low	226 Å²	226	94.3 Å²	94.3	85%	0.853	49%	0.492	S	S	*	.			trans	-104.8	125.4	169.5	-61.7	-178.1	-176.4	-178.9	3	108
176	F	44.8	Very low	49.2	Very low	100 Å²	100	95.4 Å²	95.4	44%	0.439	50%	0.504	S	S	.	.			trans	-110.7	129.8	178.8	-57.6	-80.1	0	0	0	110.3	F6 F167 P174	F6-F176 HydrophobicContact CD1-CE2 4.45Å; F6-F176 HydrophobicContact CE1-CD1 4.25Å; F6-F176 AromaticContact CE1-CD2 3.45Å; F6-F176 HydrophobicContact CE1-CD2 3.45Å; F6-F176 VanDerWaalsContact CE1-CD2 3.45Å; F6-F176 HydrophobicContact CE1-CE1 4.33Å; F6-F176 AromaticContact CE1-CE2 3.54Å; F6-F176 HydrophobicContact CE1-CE2 3.54Å; F6-F176 AromaticContact CE1-CG 3.82Å; F6-F176 HydrophobicContact CE1-CG 3.82Å; F6-F176 AromaticContact CE1-CZ 4Å; F6-F176 HydrophobicContact CE1-CZ 4Å; F6-F176 HydrophobicContact CZ-CB 3.97Å; F6-F176 HydrophobicContact CZ-CD1 4.23Å; F6-F176 AromaticContact CZ-CD2 3.76Å; F6-F176 HydrophobicContact CZ-CD2 3.76Å; F6-F176 HydrophobicContact CZ-CE2 4.29Å; F6-F176 AromaticContact CZ-CG 3.72Å; F6-F176 HydrophobicContact CZ-CG 3.72Å; F167-F176 HydrophobicContact CD1-CZ 4.03Å; F167-F176 AromaticContact CE1-CE2 3.72Å; F167-F176 HydrophobicContact CE1-CE2 3.72Å; F167-F176 AromaticContact CE1-CZ 3.43Å; F167-F176 HydrophobicContact CE1-CZ 3.43Å; F167-F176 VanDerWaalsContact CE1-CZ 3.43Å; F167-F176 AromaticContact CZ-CE2 3.75Å; F167-F176 HydrophobicContact CZ-CE2 3.75Å; F167-F176 AromaticContact CZ-CZ 3.93Å; F167-F176 HydrophobicContact CZ-CZ 3.93Å; P174-F176 HydrophobicContact CB-CE1 4.23Å; P174-F176 HydrophobicContact CB-CE2 3.73Å; P174-F176 HydrophobicContact CB-CZ 3.56Å; P174-F176 HydrophobicContact CG-CE2 3.49Å; P174-F176 VanDerWaalsContact CG-CE2 3.49Å; P174-F176 HydrophobicContact CG-CZ 3.49Å; P174-F176 VanDerWaalsContact CG-CZ 3.49Å
177	N	38	Very low	48.5	Very low	163 Å²	163	93.1 Å²	93.1	87%	0.872	50%	0.501	S	S	*	.			trans	-91.6	107.6	160.3	-68.5	-0.3	0	0	0	106.7
178	V	42.3	Very low	48	Very low	45 Å²	45	92 Å²	92	27%	0.273	50%	0.496	S	S	.	.			trans	-68.6	132.7	165.8	-179.8	0	0	0	0	107	F6 E137	F6-V178 HydrophobicContact CE2-CG2 4.36Å; E137-V178 HydrophobicContact CB-CG1 4.49Å; E137-V178 HydrophobicContact CG-CG1 4.41Å
179	A	37.3	Very low	47.5	Very low	54 Å²	54	93.6 Å²	93.6	45%	0.446	50%	0.502	S	S	.	.	B	Isolated β-bridge	trans	-107.4	140.3	178.1	0	0	0	0	0	110.1	A181	A179-A181 PolarHBondContact O-N 2.86Å
180	E	37.4	Very low	47	Very low	161 Å²	161	96 Å²	96	75%	0.752	52%	0.521	S	S	*	.			trans	-44.9	129	-170.2	-160.3	176.1	-141.7	0	0	114.1	E137	E137-E180 WeakPolarHBondContact OE1-CA 3.37Å; E137-E180 WeakPolarHBondContact OE1-CB 3.43Å; E137-E180 PolarHBondContact OE1-N 3.19Å; E137-E180 WeakPolarHBondContact OE2-CA 3.46Å
181	A	43.9	Very low	46.9	Very low	33 Å²	33	93.6 Å²	93.6	27%	0.273	51%	0.508	S	S	.	.			trans	-145.3	105.2	-174.7	0	0	0	0	0	112.5	V3 A179 V183	V3-A181 HydrophobicContact CG2-CB 3.81Å; A179-A181 PolarHBondContact O-N 2.86Å; A181-V183 PolarHBondContact O-N 3.45Å
182	S	43.5	Very low	47.1	Very low	93 Å²	93	88 Å²	88	65%	0.65	49%	0.49	S	S	*	.			trans	-61.7	104.9	169.3	56.3	0	0	0	0	111.2	M1 H184	M1-S182 WeakPolarHBondContact CE-OG 3.4Å; S182-H184 PolarHBondContact O-N 2.9Å
183	V	47.8	Very low	47.3	Very low	108 Å²	108	91 Å²	91	66%	0.655	50%	0.5	S	S	*	.			trans	-18.7	117.2	175.8	-176.9	0	0	0	0	116.6	A181 T185	A181-V183 PolarHBondContact O-N 3.45Å; V183-T185 HydrophobicContact CG1-CG2 4.24Å
184	H	52.1	Low	47.4	Very low	157 Å²	157	95.2 Å²	95.2	73%	0.727	51%	0.509	S	S	*	.			trans	-136.3	60.7	148.7	-95.6	14.9	0	0	0	109.9	S182 A186 A187 L188	S182-H184 PolarHBondContact O-N 2.9Å; H184-A186 VanDerWaalsContact C-N 3.25Å; H184-A186 PolarHBondContact O-N 2.9Å; H184-A187 HydrophobicContact CB-CB 3.95Å; H184-A187 WeakPolarHBondContact O-CB 3.5Å; H184-A187 PolarHBondContact O-N 3.14Å; H184-L188 PolarHBondContact O-N 3.29Å
185	T	51.1	Low	47.7	Very low	89 Å²	89	96.8 Å²	96.8	55%	0.546	51%	0.512	S	S	.	.	H	α-helix	trans	-55.3	-39	175.3	41.3	0	0	0	0	112.5	V183 A187 L188 E189	V183-T185 HydrophobicContact CG1-CG2 4.24Å; T185-A187 VanDerWaalsContact C-N 3.3Å; T185-A187 PolarHBondContact O-N 3Å; T185-L188 PolarHBondContact O-N 3.3Å; T185-L188 VanDerWaalsContact O-N 3.13Å; T185-E189 PolarHBondContact O-N 3.48Å
186	A	49.7	Very low	48.2	Very low	72 Å²	72	90.2 Å²	90.2	60%	0.595	51%	0.506	S	S	*	.	H	α-helix	trans	-62.6	-32.9	175.1	0	0	0	0	0	113.2	H184 S190	H184-A186 VanDerWaalsContact C-N 3.25Å; H184-A186 PolarHBondContact O-N 2.9Å; A186-S190 VanDerWaalsContact O-CB 3.31Å; A186-S190 WeakPolarHBondContact O-CB 3.37Å; A186-S190 PolarHBondContact O-N 2.91Å; A186-S190 PolarHBondContact O-OG 3.21Å
187	A	51.8	Low	48.8	Very low	40 Å²	40	87.4 Å²	87.4	33%	0.331	49%	0.494	S	S	.	.	H	α-helix	trans	-68.9	-37.5	173.7	0	0	0	0	0	111.2	H184 T185 S190 L191	H184-A187 HydrophobicContact CB-CB 3.95Å; H184-A187 WeakPolarHBondContact O-CB 3.5Å; H184-A187 PolarHBondContact O-N 3.14Å; T185-A187 VanDerWaalsContact C-N 3.3Å; T185-A187 PolarHBondContact O-N 3Å; A187-S190 WeakPolarHBondContact CA-OG 3.48Å; A187-S190 PolarHBondContact O-OG 2.89Å; A187-L191 WeakPolarHBondContact O-CB 3.41Å; A187-L191 WeakPolarHBondContact O-CD1 3.2Å; A187-L191 WeakPolarHBondContact O-CG 3.3Å; A187-L191 PolarHBondContact O-N 2.89Å
188	L	53.5	Low	49.9	Very low	10 Å²	10	82.8 Å²	82.8	5%	0.052	47%	0.469	C	S	.	.	H	α-helix	trans	-71.4	-43.4	176	177.7	58.4	0	0	0	113.1	L5 L157 H184 T185 S190 L191 L192	L5-L188 HydrophobicContact CB-CD2 4.09Å; L5-L188 HydrophobicContact CD1-CD2 3.6Å; L5-L188 HydrophobicContact CD2-CD2 3.64Å; L5-L188 HydrophobicContact CG-CD2 3.94Å; L157-L188 HydrophobicContact CD1-CB 4.42Å; L157-L188 HydrophobicContact CD1-CD1 3.92Å; H184-L188 PolarHBondContact O-N 3.29Å; T185-L188 PolarHBondContact O-N 3.3Å; T185-L188 VanDerWaalsContact O-N 3.13Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-L191 PolarHBondContact O-N 3.22Å; L188-L192 HydrophobicContact CD1-CD1 4.3Å; L188-L192 HydrophobicContact CD1-CG 4.36Å; L188-L192 HydrophobicContact CG-CD1 4.35Å; L188-L192 PolarHBondContact O-N 3.48Å
189	E	52	Low	50.7	Low	88 Å²	88	81.7 Å²	81.7	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-38.4	176	-71.8	-164.9	132.2	0	0	111.2	R132 T185 L192 L193	R132-E189 IonicContact CZ-OE1 2.78Å; R132-E189 IonicContact NH1-OE1 3.45Å; R132-E189 PolarHBondContact NH1-OE1 2.94Å; R132-E189 IonicContact NH2-OE1 3.6Å; R132-E189 PolarHBondContact NH2-OE1 3.38Å; T185-E189 PolarHBondContact O-N 3.48Å; E189-L192 PolarHBondContact O-N 3.02Å; E189-L193 WeakPolarHBondContact O-CB 3.35Å; E189-L193 WeakPolarHBondContact O-CD1 3.42Å; E189-L193 VanDerWaalsContact O-CG 3.25Å; E189-L193 WeakPolarHBondContact O-CG 3.48Å; E189-L193 PolarHBondContact O-N 2.77Å
190	S	50.6	Low	51.8	Low	66 Å²	66	83.3 Å²	83.3	46%	0.462	46%	0.464	S	S	.	.	H	α-helix	trans	-67.6	-33.8	172.5	58.7	0	0	0	0	113.4	A186 A187 L188 R194	A186-S190 VanDerWaalsContact O-CB 3.31Å; A186-S190 WeakPolarHBondContact O-CB 3.37Å; A186-S190 PolarHBondContact O-N 2.91Å; A186-S190 PolarHBondContact O-OG 3.21Å; A187-S190 WeakPolarHBondContact CA-OG 3.48Å; A187-S190 PolarHBondContact O-OG 2.89Å; L188-S190 VanDerWaalsContact C-N 3.34Å; S190-R194 WeakPolarHBondContact O-CB 3.39Å; S190-R194 PolarHBondContact O-N 3.48Å
191	L	52.6	Low	53	Low	51 Å²	51	76.7 Å²	76.7	27%	0.267	44%	0.436	S	S	.	.	H	α-helix	trans	-66.2	-44.2	171.6	-77.6	163.5	0	0	0	111.8	L157 V162 A187 L188 L193 R194 H195	L157-L191 HydrophobicContact CD1-CD1 4.21Å; V162-L191 HydrophobicContact CG2-CD1 3.9Å; A187-L191 WeakPolarHBondContact O-CB 3.41Å; A187-L191 WeakPolarHBondContact O-CD1 3.2Å; A187-L191 WeakPolarHBondContact O-CG 3.3Å; A187-L191 PolarHBondContact O-N 2.89Å; L188-L191 PolarHBondContact O-N 3.22Å; L191-L193 PolarHBondContact O-N 2.87Å; L191-R194 PolarHBondContact O-N 3.42Å; L191-H195 PolarHBondContact O-CD2 2.77Å; L191-H195 PolarHBondContact O-N 3.25Å
192	L	53.2	Low	54	Low	44 Å²	44	76.5 Å²	76.5	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-61.5	-43.7	176.3	-79.6	168.5	0	0	0	112.3	L155 L188 E189 A196 F197	L155-L192 HydrophobicContact CD1-CD1 4.05Å; L155-L192 HydrophobicContact CD1-CD2 3.76Å; L155-L192 HydrophobicContact CD1-CG 4.32Å; L188-L192 HydrophobicContact CD1-CD1 4.3Å; L188-L192 HydrophobicContact CD1-CG 4.36Å; L188-L192 HydrophobicContact CG-CD1 4.35Å; L188-L192 PolarHBondContact O-N 3.48Å; E189-L192 PolarHBondContact O-N 3.02Å; L192-A196 PolarHBondContact O-N 2.69Å; L192-F197 HydrophobicContact CD2-CB 4.36Å; L192-F197 HydrophobicContact CD2-CD1 4.3Å
193	L	52.1	Low	55	Low	146 Å²	146	72 Å²	72	76%	0.764	40%	0.398	S	S	*	.	H	α-helix	trans	-65.5	-40.2	174.5	-70.5	165.8	0	0	0	112.1	E189 L191 H195	E189-L193 WeakPolarHBondContact O-CB 3.35Å; E189-L193 WeakPolarHBondContact O-CD1 3.42Å; E189-L193 VanDerWaalsContact O-CG 3.25Å; E189-L193 WeakPolarHBondContact O-CG 3.48Å; E189-L193 PolarHBondContact O-N 2.77Å; L191-L193 PolarHBondContact O-N 2.87Å; L193-H195 PolarHBondContact O-N 3.06Å
194	R	49.7	Very low	55.7	Low	206 Å²	206	72.6 Å²	72.6	78%	0.777	39%	0.388	S	S	*	.	H	α-helix	trans	-69.5	-27.8	-179.1	179.5	174.2	-179.5	161.7	-0.4	113.8	S190 L191	S190-R194 WeakPolarHBondContact O-CB 3.39Å; S190-R194 PolarHBondContact O-N 3.48Å; L191-R194 PolarHBondContact O-N 3.42Å
195	H	52.3	Low	56.3	Low	80 Å²	80	65.3 Å²	65.3	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-101.8	0.9	179.8	-68	-66.4	0	0	0	114.2	L191 L193 F197 C246	L191-H195 PolarHBondContact O-CD2 2.77Å; L191-H195 PolarHBondContact O-N 3.25Å; L193-H195 PolarHBondContact O-N 3.06Å; H195-F197 PolarHBondContact O-N 3.21Å; H195-C246 PolarHBondContact ND1-SG 2.85Å
196	A	56.1	Low	56.9	Low	88 Å²	88	61.6 Å²	61.6	73%	0.727	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	33.4	177.4	0	0	0	0	0	114.3	L192 D198	L192-A196 PolarHBondContact O-N 2.69Å; A196-D198 PolarHBondContact O-N 3.13Å; A196-D198 VanDerWaalsContact O-N 3.14Å
197	F	58.6	Low	57.6	Low	42 Å²	42	60.6 Å²	60.6	18%	0.184	31%	0.313	C	S	.	.			trans	-71.3	108.6	-174.8	-179.6	-99.7	0	0	0	110.6	L153 P164 L192 H195 P199 Y202	L153-F197 HydrophobicContact CD2-CE1 4.35Å; L153-F197 HydrophobicContact CD2-CZ 4.08Å; P164-F197 HydrophobicContact CB-CE2 4.06Å; P164-F197 HydrophobicContact CB-CZ 3.89Å; P164-F197 HydrophobicContact CG-CE2 4.24Å; L192-F197 HydrophobicContact CD2-CB 4.36Å; L192-F197 HydrophobicContact CD2-CD1 4.3Å; H195-F197 PolarHBondContact O-N 3.21Å; F197-P199 HydrophobicContact CD1-CB 4.41Å; F197-P199 HydrophobicContact CE1-CB 4.03Å; F197-P199 VanDerWaalsContact O-CD 3.22Å; F197-P199 WeakPolarHBondContact O-CD 3.28Å; F197-Y202 AromaticContact CE2-CD2 3.66Å; F197-Y202 HydrophobicContact CE2-CD2 3.66Å; F197-Y202 HydrophobicContact CE2-CE2 4.31Å; F197-Y202 AromaticContact CE2-CG 3.99Å; F197-Y202 HydrophobicContact CE2-CG 3.99Å; F197-Y202 HydrophobicContact CZ-CD1 4.3Å; F197-Y202 AromaticContact CZ-CD2 3.85Å; F197-Y202 HydrophobicContact CZ-CD2 3.85Å; F197-Y202 AromaticContact CZ-CG 3.72Å; F197-Y202 HydrophobicContact CZ-CG 3.72Å
198	D	60.6	Low	58.1	Low	66 Å²	66	64.5 Å²	64.5	35%	0.353	32%	0.324	S	S	.	.			trans	-83.2	106.2	172.9	177.1	-6	0	0	0	110	A196 D200 A201 Y202 R204	A196-D198 PolarHBondContact O-N 3.13Å; A196-D198 VanDerWaalsContact O-N 3.14Å; D198-D200 VanDerWaalsContact C-N 3.29Å; D198-D200 PolarHBondContact O-N 3.29Å; D198-D200 WeakPolarHBondContact OD1-CA 3.39Å; D198-D200 WeakPolarHBondContact OD1-CB 3.28Å; D198-D200 PolarHBondContact OD1-N 2.73Å; D198-A201 HydrophobicContact CB-CB 3.83Å; D198-A201 VanDerWaalsContact CG-CB 3.41Å; D198-A201 VanDerWaalsContact CG-N 3.29Å; D198-A201 PolarHBondContact O-N 2.77Å; D198-A201 PolarHBondContact OD1-N 2.63Å; D198-A201 WeakPolarHBondContact OD2-CB 3.42Å; D198-A201 PolarHBondContact OD2-N 2.77Å; D198-Y202 PolarHBondContact O-N 3.43Å; D198-R204 IonicContact OD2-NH2 2.73Å
199	P	59.8	Low	58.3	Low	21 Å²	21	66.2 Å²	66.2	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-73.9	-21	-179.2	34.2	-36.5	0	0	0	112.3	V9 L153 F197 S203	V9-P199 HydrophobicContact CG2-CB 4.08Å; L153-P199 HydrophobicContact CD1-CB 3.87Å; L153-P199 WeakPolarHBondContact CD1-O 3.28Å; F197-P199 HydrophobicContact CD1-CB 4.41Å; F197-P199 HydrophobicContact CE1-CB 4.03Å; F197-P199 VanDerWaalsContact O-CD 3.22Å; F197-P199 WeakPolarHBondContact O-CD 3.28Å; P199-S203 WeakPolarHBondContact O-CB 3.08Å; P199-S203 PolarHBondContact O-N 3.27Å
200	D	60.4	Low	58.1	Low	89 Å²	89	70.5 Å²	70.5	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-79.4	-34.3	175.1	-72.4	-51.3	0	0	0	111.3	V9 D198 R204	V9-D200 WeakPolarHBondContact CG1-OD1 3.15Å; D198-D200 VanDerWaalsContact C-N 3.29Å; D198-D200 PolarHBondContact O-N 3.29Å; D198-D200 WeakPolarHBondContact OD1-CA 3.39Å; D198-D200 WeakPolarHBondContact OD1-CB 3.28Å; D198-D200 PolarHBondContact OD1-N 2.73Å; D200-R204 WeakPolarHBondContact O-CB 3.4Å; D200-R204 WeakPolarHBondContact O-CG 3.37Å; D200-R204 PolarHBondContact O-N 3.12Å; D200-R204 VanDerWaalsContact O-N 3.1Å; D200-R204 PolarHBondContact O-NE 2.71Å
201	A	62.4	Low	57.8	Low	21 Å²	21	71.1 Å²	71.1	17%	0.174	35%	0.35	C	S	.	.	H	α-helix	trans	-68	-45.6	167.5	0	0	0	0	0	111.9	D198 R204 A205 L243	D198-A201 HydrophobicContact CB-CB 3.83Å; D198-A201 VanDerWaalsContact CG-CB 3.41Å; D198-A201 VanDerWaalsContact CG-N 3.29Å; D198-A201 PolarHBondContact O-N 2.77Å; D198-A201 PolarHBondContact OD1-N 2.63Å; D198-A201 WeakPolarHBondContact OD2-CB 3.42Å; D198-A201 PolarHBondContact OD2-N 2.77Å; A201-R204 VanDerWaalsContact CA-NH2 3.31Å; A201-R204 WeakPolarHBondContact O-CB 3.43Å; A201-R204 PolarHBondContact O-N 3.14Å; A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.07Å; A201-L243 HydrophobicContact CB-CD1 4.49Å; A201-L243 HydrophobicContact CB-CD2 4.38Å
202	Y	64.3	Low	56.9	Low	29 Å²	29	77.7 Å²	77.7	11%	0.114	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-43.5	177.2	-171.4	-79.1	0	0	0	111.6	L153 P164 H166 F197 D198 R204 A205 V206 L240 L243	L153-Y202 HydrophobicContact CD1-CD1 3.98Å; L153-Y202 HydrophobicContact CD2-CD1 3.7Å; L153-Y202 HydrophobicContact CD2-CE1 3.76Å; L153-Y202 HydrophobicContact CG-CD1 4.14Å; L153-Y202 HydrophobicContact CG-CE1 4.46Å; P164-Y202 HydrophobicContact CB-CE2 4.46Å; P164-Y202 HydrophobicContact CG-CE2 4.38Å; H166-Y202 HydrophobicContact CB-CE1 4.14Å; H166-Y202 AromaticContact ND1-CE1 3.55Å; H166-Y202 AromaticContact ND1-CZ 3.73Å; H166-Y202 PolarHBondContact ND1-OH 3.34Å; F197-Y202 AromaticContact CE2-CD2 3.66Å; F197-Y202 HydrophobicContact CE2-CD2 3.66Å; F197-Y202 HydrophobicContact CE2-CE2 4.31Å; F197-Y202 AromaticContact CE2-CG 3.99Å; F197-Y202 HydrophobicContact CE2-CG 3.99Å; F197-Y202 HydrophobicContact CZ-CD1 4.3Å; F197-Y202 AromaticContact CZ-CD2 3.85Å; F197-Y202 HydrophobicContact CZ-CD2 3.85Å; F197-Y202 AromaticContact CZ-CG 3.72Å; F197-Y202 HydrophobicContact CZ-CG 3.72Å; D198-Y202 PolarHBondContact O-N 3.43Å; Y202-R204 VanDerWaalsContact C-N 3.29Å; Y202-R204 PolarHBondContact O-N 2.95Å; Y202-A205 PolarHBondContact O-N 3.26Å; Y202-V206 HydrophobicContact CD1-CG2 3.72Å; Y202-V206 HydrophobicContact CE1-CG2 3.41Å; Y202-V206 VanDerWaalsContact CE1-CG2 3.41Å; Y202-V206 WeakPolarHBondContact O-CB 3.38Å; Y202-V206 WeakPolarHBondContact O-CG2 3.25Å; Y202-V206 PolarHBondContact O-N 3.08Å; Y202-L240 HydrophobicContact CE2-CD2 4.49Å; Y202-L243 HydrophobicContact CD2-CB 4.42Å; Y202-L243 HydrophobicContact CD2-CD1 4.28Å
203	S	63.9	Low	56.3	Low	0 Å²	0	79.2 Å²	79.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-34.4	174.5	172.6	0	0	0	0	113	V9 P199 R207	V9-S203 WeakPolarHBondContact CG1-OG 3.41Å; V9-S203 PolarHBondContact O-OG 3.1Å; P199-S203 WeakPolarHBondContact O-CB 3.08Å; P199-S203 PolarHBondContact O-N 3.27Å; S203-R207 WeakPolarHBondContact O-CG 3.2Å; S203-R207 PolarHBondContact O-N 3.37Å; S203-R207 PolarHBondContact O-NE 2.97Å; S203-R207 PolarHBondContact OG-NH2 2.86Å
204	R	63.6	Low	55.2	Low	119 Å²	119	81.4 Å²	81.4	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-67.1	-55	170.9	-85.3	175.9	-70.4	153.6	-3.3	111.4	D198 D200 A201 Y202 V206 R207 E208	D198-R204 IonicContact OD2-NH2 2.73Å; D200-R204 WeakPolarHBondContact O-CB 3.4Å; D200-R204 WeakPolarHBondContact O-CG 3.37Å; D200-R204 PolarHBondContact O-N 3.12Å; D200-R204 VanDerWaalsContact O-N 3.1Å; D200-R204 PolarHBondContact O-NE 2.71Å; A201-R204 VanDerWaalsContact CA-NH2 3.31Å; A201-R204 WeakPolarHBondContact O-CB 3.43Å; A201-R204 PolarHBondContact O-N 3.14Å; Y202-R204 VanDerWaalsContact C-N 3.29Å; Y202-R204 PolarHBondContact O-N 2.95Å; R204-V206 VanDerWaalsContact C-N 3.28Å; R204-V206 PolarHBondContact O-N 3.09Å; R204-R207 WeakPolarHBondContact O-CA 3.47Å; R204-R207 PolarHBondContact O-N 3.16Å; R204-E208 WeakPolarHBondContact CB-OE1 3.23Å; R204-E208 WeakPolarHBondContact O-CB 3.31Å; R204-E208 WeakPolarHBondContact O-CG 3.24Å; R204-E208 PolarHBondContact O-N 3.32Å
205	A	64.4	Low	54.1	Low	5 Å²	5	77.3 Å²	77.3	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-54.4	-42.8	-178.9	0	0	0	0	0	112.4	A201 Y202 R207 E208 T209 L240 L243	A201-A205 WeakPolarHBondContact O-CB 3.35Å; A201-A205 PolarHBondContact O-N 3.07Å; Y202-A205 PolarHBondContact O-N 3.26Å; A205-R207 VanDerWaalsContact C-N 3.31Å; A205-R207 PolarHBondContact O-N 3.33Å; A205-E208 PolarHBondContact O-N 3.08Å; A205-T209 WeakPolarHBondContact O-CG2 3.41Å; A205-T209 PolarHBondContact O-N 3.07Å; A205-T209 PolarHBondContact O-OG1 3.22Å; A205-L240 HydrophobicContact CB-CD2 3.6Å; A205-L240 HydrophobicContact CB-CG 4.34Å; A205-L243 HydrophobicContact CB-CD1 4.15Å
206	V	63.3	Low	53.1	Low	10 Å²	10	80.4 Å²	80.4	6%	0.061	41%	0.412	C	S	.	.	H	α-helix	trans	-63.6	-29.9	175.7	167.2	0	0	0	0	113.7	V151 H166 Y202 R204 T209 L240	V151-V206 HydrophobicContact CG1-CG1 4.12Å; V151-V206 HydrophobicContact CG2-CB 4.31Å; V151-V206 HydrophobicContact CG2-CG1 3.69Å; H166-V206 VanDerWaalsContact CD2-CG1 3.48Å; H166-V206 WeakPolarHBondContact CD2-CG1 3.32Å; Y202-V206 HydrophobicContact CD1-CG2 3.72Å; Y202-V206 HydrophobicContact CE1-CG2 3.41Å; Y202-V206 VanDerWaalsContact CE1-CG2 3.41Å; Y202-V206 WeakPolarHBondContact O-CB 3.38Å; Y202-V206 WeakPolarHBondContact O-CG2 3.25Å; Y202-V206 PolarHBondContact O-N 3.08Å; R204-V206 VanDerWaalsContact C-N 3.28Å; R204-V206 PolarHBondContact O-N 3.09Å; V206-T209 PolarHBondContact O-OG1 2.94Å; V206-L240 HydrophobicContact CG2-CD2 4.46Å
207	R	65.4	Low	52	Low	52 Å²	52	82 Å²	82	20%	0.196	41%	0.413	C	S	.	.	H	α-helix	trans	-83.8	-31.3	175.5	-74.6	176.8	-75.8	158.5	-7.3	112.7	G11 K149 V151 S203 R204 A205	G11-R207 PolarHBondContact O-NH1 2.78Å; K149-R207 WeakPolarHBondContact O-CD 3.34Å; V151-R207 HydrophobicContact CG2-CG 3.62Å; S203-R207 WeakPolarHBondContact O-CG 3.2Å; S203-R207 PolarHBondContact O-N 3.37Å; S203-R207 PolarHBondContact O-NE 2.97Å; S203-R207 PolarHBondContact OG-NH2 2.86Å; R204-R207 WeakPolarHBondContact O-CA 3.47Å; R204-R207 PolarHBondContact O-N 3.16Å; A205-R207 VanDerWaalsContact C-N 3.31Å; A205-R207 PolarHBondContact O-N 3.33Å
208	E	60.7	Low	50.9	Low	121 Å²	121	88.1 Å²	88.1	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-77.5	-34.6	179.3	-70.8	161.6	-163	0	0	111.7	R204 A205 R210	R204-E208 WeakPolarHBondContact CB-OE1 3.23Å; R204-E208 WeakPolarHBondContact O-CB 3.31Å; R204-E208 WeakPolarHBondContact O-CG 3.24Å; R204-E208 PolarHBondContact O-N 3.32Å; A205-E208 PolarHBondContact O-N 3.08Å; E208-R210 VanDerWaalsContact C-N 3.34Å; E208-R210 PolarHBondContact O-N 2.98Å
209	T	58	Low	49.2	Very low	46 Å²	46	93 Å²	93	28%	0.282	46%	0.463	S	S	.	.	S	Bend	trans	-72.1	87	167.5	54.5	0	0	0	0	110.4	A205 V206 P211 A237 L240	A205-T209 WeakPolarHBondContact O-CG2 3.41Å; A205-T209 PolarHBondContact O-N 3.07Å; A205-T209 PolarHBondContact O-OG1 3.22Å; V206-T209 PolarHBondContact O-OG1 2.94Å; T209-P211 VanDerWaalsContact O-CD 3.22Å; T209-P211 WeakPolarHBondContact O-CD 3.44Å; T209-P211 VanDerWaalsContact O-N 3.17Å; T209-A237 HydrophobicContact CG2-CB 3.81Å; T209-L240 HydrophobicContact CG2-CD1 3.87Å; T209-L240 HydrophobicContact CG2-CG 4.32Å
210	R	48.5	Very low	47.9	Very low	179 Å²	179	99 Å²	99	68%	0.675	50%	0.503	S	S	*	.			trans	-51	118.1	162.5	-79.8	-173.4	173.1	-163.7	-3.2	108.2	E46 E208	E46-R210 IonicContact OE1-CZ 3.27Å; E46-R210 IonicContact OE1-NH1 3.86Å; E46-R210 PolarHBondContact OE1-NH1 3.46Å; E46-R210 IonicContact OE1-NH2 3.37Å; E46-R210 PolarHBondContact OE1-NH2 3.02Å; E208-R210 VanDerWaalsContact C-N 3.34Å; E208-R210 PolarHBondContact O-N 2.98Å
211	P	44.9	Very low	46.1	Very low	78 Å²	78	99 Å²	99	51%	0.506	51%	0.506	S	S	.	.			trans	-69.1	132.5	159.3	30	-31.5	0	0	0	107.6	T209 L213	T209-P211 VanDerWaalsContact O-CD 3.22Å; T209-P211 WeakPolarHBondContact O-CD 3.44Å; T209-P211 VanDerWaalsContact O-N 3.17Å; P211-L213 HydrophobicContact CB-CB 4.42Å; P211-L213 HydrophobicContact CB-CD1 4.27Å; P211-L213 HydrophobicContact CG-CB 4.47Å; P211-L213 HydrophobicContact CG-CD1 4.44Å; P211-L213 PolarHBondContact O-N 3.48Å
212	E	32.8	Very low	44.3	Very low	190 Å²	190	101.7 Å²	101.7	89%	0.888	52%	0.524	S	S	*	.			trans	-72.4	66.3	174.5	-65.6	-177.6	144.9	0	0	109.9	E214	E212-E214 PolarHBondContact O-N 3.26Å; E212-E214 VanDerWaalsContact O-N 3.08Å
213	L	40.2	Very low	42.8	Very low	75 Å²	75	105.7 Å²	105.7	39%	0.393	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.3	48	-167.5	-145.1	129.5	0	0	0	112.4	P211 M216	P211-L213 HydrophobicContact CB-CB 4.42Å; P211-L213 HydrophobicContact CB-CD1 4.27Å; P211-L213 HydrophobicContact CG-CB 4.47Å; P211-L213 HydrophobicContact CG-CD1 4.44Å; P211-L213 PolarHBondContact O-N 3.48Å; L213-M216 HydrophobicContact CD2-CB 4.07Å; L213-M216 HydrophobicContact CG-CB 4.33Å
214	E	29.6	Very low	41.2	Very low	193 Å²	193	116.9 Å²	116.9	90%	0.902	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-3.4	166.5	-63.7	-171.9	150.8	0	0	111.8	E212	E212-E214 PolarHBondContact O-N 3.26Å; E212-E214 VanDerWaalsContact O-N 3.08Å
215	C	27.3	Very low	39.6	Very low	120 Å²	120	121.5 Å²	121.5	81%	0.811	61%	0.613	S	S	*	*	S	Bend	trans	-110.7	15.6	-178.2	-154.9	0	0	0	0	114.1
216	M	29.7	Very low	38.1	Very low	144 Å²	144	126 Å²	126	71%	0.709	64%	0.644	S	S	*	*			trans	-137.1	64.7	173	-70.9	-145.8	82.1	0	0	111.7	L213	L213-M216 HydrophobicContact CD2-CB 4.07Å; L213-M216 HydrophobicContact CG-CB 4.33Å
217	T	34.7	Very low	36.7	Very low	122 Å²	122	136.3 Å²	136.3	75%	0.748	68%	0.682	S	S	*	*			trans	-95.6	165.9	148.8	47.7	0	0	0	0	109.1
218	E	33.7	Very low	35	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	71%	0.713	S	S	*	*	S	Bend	trans	74.8	151	-165.6	-54.4	-60.7	91.4	0	0	115.7
219	E	25.4	Very low	33.5	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	72%	0.715	S	S	*	*			trans	53.6	80.9	175	-62.2	-143.9	130.5	0	0	119.4	V221	E219-V221 VanDerWaalsContact C-N 3.27Å; E219-V221 HydrophobicContact CB-CG2 4.09Å; E219-V221 PolarHBondContact O-N 3.12Å
220	C	32.4	Very low	32.1	Very low	145 Å²	145	143.7 Å²	143.7	98%	0.98	74%	0.737	S	S	*	*			trans	-71.8	70.7	161.7	-75.8	0	0	0	0	113
221	V	23	Very low	31.3	Very low	91 Å²	91	139.9 Å²	139.9	55%	0.552	74%	0.738	S	S	*	*			trans	-75.5	140	177.4	-173.2	0	0	0	0	112.2	E219	E219-V221 VanDerWaalsContact C-N 3.27Å; E219-V221 HydrophobicContact CB-CG2 4.09Å; E219-V221 PolarHBondContact O-N 3.12Å
222	S	25.2	Very low	30.8	Very low	77 Å²	77	139.5 Å²	139.5	54%	0.538	75%	0.748	S	S	.	*			trans	-49.4	145.7	-176.5	-177.8	0	0	0	0	114.9	R224 R225	S222-R224 PolarHBondContact O-N 3.13Å; S222-R225 PolarHBondContact O-N 3.03Å
223	P	31.3	Very low	30.7	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	1.7	-174.8	-26.7	35.2	0	0	0	118	R225	P223-R225 VanDerWaalsContact C-N 3.33Å
224	R	31.1	Very low	30.3	Very low	235 Å²	235	141.2 Å²	141.2	89%	0.887	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-17.9	176.6	-70.6	-176.8	172	176.9	-2.7	113.6	S222	S222-R224 PolarHBondContact O-N 3.13Å
225	R	30.9	Very low	30.7	Very low	215 Å²	215	138 Å²	138	81%	0.811	76%	0.757	S	S	*	*	S	Bend	trans	-108.4	-9.1	-171.3	-143.2	173.9	-173.4	179	1.7	116	S222 P223 R227	S222-R225 PolarHBondContact O-N 3.03Å; P223-R225 VanDerWaalsContact C-N 3.33Å; R225-R227 VanDerWaalsContact C-N 3.26Å; R225-R227 PolarHBondContact O-N 3.2Å
226	S	32.6	Very low	31.3	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	74%	0.736	S	S	*	*			trans	-77.8	62.1	-176.4	67.1	0	0	0	0	114	L228	S226-L228 VanDerWaalsContact C-N 3.28Å; S226-L228 PolarHBondContact O-N 2.93Å
227	R	33.3	Very low	31.9	Very low	226 Å²	226	130.5 Å²	130.5	85%	0.853	72%	0.717	S	S	*	*			trans	-90.3	49.2	170.9	-64.4	-165.6	-170.4	-152.4	7	112.3	R225 C229	R225-R227 VanDerWaalsContact C-N 3.26Å; R225-R227 PolarHBondContact O-N 3.2Å; R227-C229 PolarHBondContact O-N 3.32Å
228	L	30.1	Very low	32.1	Very low	162 Å²	162	128.9 Å²	128.9	85%	0.848	71%	0.709	S	S	*	*			trans	-76.8	78.7	167.3	-76.2	171.4	0	0	0	109.7	S226 V230	S226-L228 VanDerWaalsContact C-N 3.28Å; S226-L228 PolarHBondContact O-N 2.93Å; L228-V230 PolarHBondContact O-N 3.11Å
229	C	28.7	Very low	32.3	Very low	91 Å²	91	123.2 Å²	123.2	62%	0.615	69%	0.691	S	S	*	*			trans	-65.9	111.9	150	-68.7	0	0	0	0	106.6	R227 S231	R227-C229 PolarHBondContact O-N 3.32Å; C229-S231 VanDerWaalsContact C-N 3.3Å; C229-S231 PolarHBondContact O-N 2.81Å
230	V	29.6	Very low	33.1	Very low	122 Å²	122	116.1 Å²	116.1	74%	0.739	66%	0.658	S	S	*	*			trans	-68.3	94.3	169.4	179.5	0	0	0	0	107.2	L228 G232	L228-V230 PolarHBondContact O-N 3.11Å; V230-G232 PolarHBondContact O-N 3.24Å
231	S	29.8	Very low	33.7	Very low	99 Å²	99	113.9 Å²	113.9	69%	0.692	63%	0.633	S	S	*	*			trans	-59.7	126.2	169.2	46	0	0	0	0	108.5	C229 Q233	C229-S231 VanDerWaalsContact C-N 3.3Å; C229-S231 PolarHBondContact O-N 2.81Å; S231-Q233 PolarHBondContact O-N 3.27Å
232	G	35.2	Very low	34.6	Very low	70 Å²	70	119.5 Å²	119.5	72%	0.722	65%	0.645	S	S	*	*	S	Bend	trans	-74.8	55.1	-164.4	0	0	0	0	0	116.2	V230	V230-G232 PolarHBondContact O-N 3.24Å
233	Q	31.8	Very low	35.2	Very low	163 Å²	163	118.4 Å²	118.4	76%	0.762	63%	0.633	S	S	*	*			trans	-128	148.9	163.4	-77.8	-174.4	-115.9	0	0	110.7	S231	S231-Q233 PolarHBondContact O-N 3.27Å
234	D	31.9	Very low	35.6	Very low	137 Å²	137	117.2 Å²	117.2	73%	0.733	63%	0.627	S	S	*	*	S	Bend	trans	69	123.5	173.3	-52.3	-28.5	0	0	0	119	L236	D234-L236 PolarHBondContact O-N 2.65Å
235	S	36.9	Very low	35.7	Very low	126 Å²	126	113 Å²	113	88%	0.881	62%	0.619	S	S	*	*			trans	69.1	8.2	164.8	76.2	0	0	0	0	120.7	A237	S235-A237 PolarHBondContact O-N 3.24Å
236	L	39.8	Very low	35.8	Very low	68 Å²	68	106.2 Å²	106.2	36%	0.356	60%	0.604	S	S	.	*			trans	-58.1	128.8	167.4	-79.1	174.6	0	0	0	112.4	D234 L240 Q241	D234-L236 PolarHBondContact O-N 2.65Å; L236-L240 HydrophobicContact CD2-CB 4.27Å; L236-L240 HydrophobicContact CD2-CD1 3.82Å; L236-Q241 HydrophobicContact CB-CG 4.24Å; L236-Q241 PolarHBondContact O-NE2 3.07Å
237	A	43.3	Very low	36	Very low	38 Å²	38	104 Å²	104	31%	0.314	60%	0.597	S	S	.	*			trans	-59.1	148.6	178.4	0	0	0	0	0	112.6	T209 S235 A239 L240 Q241	T209-A237 HydrophobicContact CG2-CB 3.81Å; S235-A237 PolarHBondContact O-N 3.24Å; A237-A239 PolarHBondContact O-N 3.29Å; A237-L240 PolarHBondContact O-N 3.36Å; A237-Q241 PolarHBondContact O-N 3.3Å
238	P	39	Very low	35.8	Very low	89 Å²	89	103.5 Å²	103.5	58%	0.578	60%	0.596	S	S	*	*	H	α-helix	trans	-57.2	-24.7	-172.9	-28.7	35.9	0	0	0	115.9	R242	P238-R242 WeakPolarHBondContact O-CG 3.3Å; P238-R242 PolarHBondContact O-N 2.8Å
239	A	37	Very low	35.6	Very low	51 Å²	51	103 Å²	103	42%	0.421	60%	0.599	S	S	.	*	H	α-helix	trans	-67.6	-41	173.7	0	0	0	0	0	112.6	A237 L243	A237-A239 PolarHBondContact O-N 3.29Å; A239-L243 PolarHBondContact O-N 2.9Å
240	L	42	Very low	35.5	Very low	20 Å²	20	101.3 Å²	101.3	11%	0.105	60%	0.598	C	S	.	*	H	α-helix	trans	-74.5	-34	177.2	-67.1	176.6	0	0	0	111.6	Y202 A205 V206 T209 L236 A237 R242 L243 S244	Y202-L240 HydrophobicContact CE2-CD2 4.49Å; A205-L240 HydrophobicContact CB-CD2 3.6Å; A205-L240 HydrophobicContact CB-CG 4.34Å; V206-L240 HydrophobicContact CG2-CD2 4.46Å; T209-L240 HydrophobicContact CG2-CD1 3.87Å; T209-L240 HydrophobicContact CG2-CG 4.32Å; L236-L240 HydrophobicContact CD2-CB 4.27Å; L236-L240 HydrophobicContact CD2-CD1 3.82Å; A237-L240 PolarHBondContact O-N 3.36Å; L240-R242 PolarHBondContact O-N 3.07Å; L240-L243 PolarHBondContact O-N 2.79Å; L240-S244 WeakPolarHBondContact O-CB 3.35Å; L240-S244 PolarHBondContact O-N 2.94Å
241	Q	44.7	Very low	35.4	Very low	98 Å²	98	99.1 Å²	99.1	46%	0.458	60%	0.6	S	S	.	*	H	α-helix	trans	-58.2	-45.5	173	-68.4	-177.2	-14.6	0	0	111.8	L236 A237 L243 S244 M245	L236-Q241 HydrophobicContact CB-CG 4.24Å; L236-Q241 PolarHBondContact O-NE2 3.07Å; A237-Q241 PolarHBondContact O-N 3.3Å; Q241-L243 VanDerWaalsContact C-N 3.27Å; Q241-L243 PolarHBondContact O-N 3.15Å; Q241-S244 PolarHBondContact O-N 3.2Å; Q241-S244 VanDerWaalsContact O-N 3.14Å; Q241-M245 WeakPolarHBondContact O-CB 3.47Å; Q241-M245 WeakPolarHBondContact O-CG 3.29Å; Q241-M245 PolarHBondContact O-N 2.98Å
242	R	41.9	Very low	35.5	Very low	210 Å²	210	103 Å²	103	79%	0.792	61%	0.612	S	S	*	*	H	α-helix	trans	-63.1	-29.4	177	-69.8	179.3	-170.4	170	4.3	114	P238 L240	P238-R242 WeakPolarHBondContact O-CG 3.3Å; P238-R242 PolarHBondContact O-N 2.8Å; L240-R242 PolarHBondContact O-N 3.07Å
243	L	39.3	Very low	35.2	Very low	54 Å²	54	105.8 Å²	105.8	28%	0.283	62%	0.62	S	S	.	*	H	α-helix	trans	-84.4	-23.6	175.6	-67.9	169.8	0	0	0	112.7	A201 Y202 A205 A239 L240 Q241	A201-L243 HydrophobicContact CB-CD1 4.49Å; A201-L243 HydrophobicContact CB-CD2 4.38Å; Y202-L243 HydrophobicContact CD2-CB 4.42Å; Y202-L243 HydrophobicContact CD2-CD1 4.28Å; A205-L243 HydrophobicContact CB-CD1 4.15Å; A239-L243 PolarHBondContact O-N 2.9Å; L240-L243 PolarHBondContact O-N 2.79Å; Q241-L243 VanDerWaalsContact C-N 3.27Å; Q241-L243 PolarHBondContact O-N 3.15Å
244	S	39.6	Very low	35.1	Very low	87 Å²	87	105.9 Å²	105.9	61%	0.608	62%	0.621	S	S	*	*	H	α-helix	trans	-82.6	-23.6	173.4	-165.2	0	0	0	0	112.8	L240 Q241 C246	L240-S244 WeakPolarHBondContact O-CB 3.35Å; L240-S244 PolarHBondContact O-N 2.94Å; Q241-S244 PolarHBondContact O-N 3.2Å; Q241-S244 VanDerWaalsContact O-N 3.14Å; S244-C246 VanDerWaalsContact C-N 3.26Å; S244-C246 PolarHBondContact O-N 3.5Å
245	M	32.9	Very low	34.9	Very low	147 Å²	147	106 Å²	106	72%	0.724	62%	0.621	S	S	*	*			trans	-84	57.9	-179.2	-73.9	-167.3	73.6	0	0	113.5	Q241	Q241-M245 WeakPolarHBondContact O-CB 3.47Å; Q241-M245 WeakPolarHBondContact O-CG 3.29Å; Q241-M245 PolarHBondContact O-N 2.98Å
246	C	32.3	Very low	34.5	Very low	73 Å²	73	105.7 Å²	105.7	49%	0.493	62%	0.619	S	S	.	*			trans	-93.4	16.2	151.6	-149.4	0	0	0	0	111.5	H195 S244 Y248	H195-C246 PolarHBondContact ND1-SG 2.85Å; S244-C246 VanDerWaalsContact C-N 3.26Å; S244-C246 PolarHBondContact O-N 3.5Å; C246-Y248 PolarHBondContact O-N 3.18Å
247	G	36.2	Very low	34.1	Very low	54 Å²	54	111 Å²	111	56%	0.557	65%	0.647	S	S	*	*			trans	-93	87.6	-179.8	0	0	0	0	0	113.8
248	Y	30.2	Very low	33.3	Very low	215 Å²	215	113 Å²	113	84%	0.843	67%	0.671	S	S	*	*			trans	45.6	92.5	136.8	-149.4	-83.2	0	0	0	119.6	C246	C246-Y248 PolarHBondContact O-N 3.18Å
249	V	25.9	Very low	32.7	Very low	150 Å²	150	113.9 Å²	113.9	91%	0.909	69%	0.686	S	S	*	*			trans	-139.5	132.6	152.4	-177.6	0	0	0	0	111
250	G	27.1	Very low	32.2	Very low	57 Å²	57	123 Å²	123	59%	0.588	71%	0.709	S	S	*	*			trans	124.5	112.7	-176.6	0	0	0	0	0	109.1
251	G	27.2	Very low	31.6	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	75%	0.749	S	S	*	*			cis	107.9	126.8	27.3	0	0	0	0	0	107.8
252	L	31.2	Very low	30.7	Very low	181 Å²	181	130 Å²	130	95%	0.948	77%	0.768	S	S	*	*			cis	-148.4	158.7	12.1	-71.5	156.2	0	0	0	110.2
253	S	28.8	Very low	30.2	Very low	128 Å²	128	129.9 Å²	129.9	90%	0.895	78%	0.777	S	S	*	*			trans	-168	165.8	138.8	-148.3	0	0	0	0	111.7
254	E	29.6	Very low	29.7	Very low	166 Å²	166	130.3 Å²	130.3	78%	0.776	79%	0.794	S	S	*	*			trans	-107.5	169.4	-166.8	-64.4	-172.7	110.3	0	0	115.6
255	N	28	Very low	29.4	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	81%	0.808	S	S	*	*			trans	61.7	115.5	159.4	-65	-31.6	0	0	0	117.8
256	S	29.1	Very low	29.6	Very low	120 Å²	120	129.5 Å²	129.5	84%	0.839	81%	0.813	S	S	*	*				-158.6	153.4	75.6	-70.9	0	0	0	0	115.9
257	L	31.3	Very low	29.5	Very low	181 Å²	181	131.3 Å²	131.3	95%	0.948	82%	0.817	S	S	*	*			trans	-35.4	125.1	178	-67.6	146.4	0	0	0	118.4
258	G	25.4	Very low	29.2	Very low	79 Å²	79	138 Å²	138	81%	0.814	83%	0.834	S	S	*	*				91.2	93.4	105.8	0	0	0	0	0	120.5
259	A	26.7	Very low	29.3	Very low	107 Å²	107	137.8 Å²	137.8	88%	0.884	83%	0.832	S	S	*	*			trans	-153.2	145.5	142	0	0	0	0	0	110.7
260	R	27.8	Very low	29.3	Very low	244 Å²	244	139.2 Å²	139.2	92%	0.921	83%	0.829	S	S	*	*			trans	-133.9	160.2	173.1	-90.3	-95.7	-162.1	167.9	4.2	108.2
261	L	28.3	Very low	29.3	Very low	181 Å²	181	146.2 Å²	146.2	95%	0.948	84%	0.839	S	S	*	*			trans	80.2	132.8	177.4	-57.9	158.8	0	0	0	114.7
262	G	26.3	Very low	29.4	Very low	83 Å²	83	149 Å²	149	86%	0.856	84%	0.84	S	S	*	*			trans	151.2	55.7	-168	0	0	0	0	0	110.9
263	E	30.9	Very low	29.2	Very low	207 Å²	207	145.1 Å²	145.1	97%	0.967	82%	0.824	S	S	*	*			trans	-83.5	133	-178.9	-168.9	176.2	141.4	0	0	110.3
264	G	28.1	Very low	29.3	Very low	63 Å²	63	143.5 Å²	143.5	65%	0.649	81%	0.811	S	S	*	*			trans	-166.7	145.4	-179.2	0	0	0	0	0	111.7
265	P	33.3	Very low	29.1	Very low	138 Å²	138	143.2 Å²	143.2	90%	0.896	81%	0.814	S	S	*	*			trans	-79	165.4	-169	32.4	-36.5	0	0	0	114
266	G	37.4	Very low	29.3	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	82%	0.818	S	S	*	*			trans	-75.5	158.8	-175.7	0	0	0	0	0	115.4
267	D	30.5	Very low	29.4	Very low	111 Å²	111	146.9 Å²	146.9	59%	0.594	81%	0.813	S	S	*	*			trans	-117.2	83.5	177.9	-179.6	26	0	0	0	108.8	R269	D267-R269 PolarHBondContact O-N 3.32Å; D267-R269 VanDerWaalsContact O-N 3.1Å; D267-R269 IonicContact OD1-NE 2.8Å; D267-R269 IonicContact OD2-CZ 3.32Å; D267-R269 IonicContact OD2-NE 2.85Å; D267-R269 PolarHBondContact OD2-NE 3.29Å; D267-R269 IonicContact OD2-NH2 3.19Å; D267-R269 PolarHBondContact OD2-NH2 2.87Å
268	E	29.3	Very low	29.6	Very low	193 Å²	193	146 Å²	146	90%	0.902	80%	0.804	S	S	*	*			trans	-71	98	171.5	-76.1	-165.1	120	0	0	109.5	E270	E268-E270 VanDerWaalsContact C-N 3.33Å; E268-E270 PolarHBondContact O-N 3.49Å
269	R	32.1	Very low	29.9	Very low	212 Å²	212	149.1 Å²	149.1	80%	0.8	80%	0.802	S	S	*	*			trans	-76.8	85.6	177.8	-66.5	-168.4	-177.7	-156.8	-5.2	111.8	D267	D267-R269 PolarHBondContact O-N 3.32Å; D267-R269 VanDerWaalsContact O-N 3.1Å; D267-R269 IonicContact OD1-NE 2.8Å; D267-R269 IonicContact OD2-CZ 3.32Å; D267-R269 IonicContact OD2-NE 2.85Å; D267-R269 PolarHBondContact OD2-NE 3.29Å; D267-R269 IonicContact OD2-NH2 3.19Å; D267-R269 PolarHBondContact OD2-NH2 2.87Å
270	E	27	Very low	30.2	Very low	180 Å²	180	151.8 Å²	151.8	84%	0.841	80%	0.797	S	S	*	*			trans	-50.8	138.9	167.1	-172.5	170.7	-153.8	0	0	111.5	E268 V272	E268-E270 VanDerWaalsContact C-N 3.33Å; E268-E270 PolarHBondContact O-N 3.49Å; E270-V272 PolarHBondContact O-N 3.07Å
271	Y	27.7	Very low	30.5	Very low	203 Å²	203	146.7 Å²	146.7	80%	0.796	79%	0.787	S	S	*	*			trans	-95.9	96.5	-171.1	-168.8	-91.3	0	0	0	111.1	T273	Y271-T273 PolarHBondContact O-N 3.31Å
272	V	28.9	Very low	30.8	Very low	133 Å²	133	148.5 Å²	148.5	81%	0.806	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-59.5	126.4	175.8	-178	0	0	0	0	110.3	E270	E270-V272 PolarHBondContact O-N 3.07Å
273	T	26.1	Very low	31	Very low	101 Å²	101	150.8 Å²	150.8	62%	0.62	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-95.2	138.2	176.9	-56.7	0	0	0	0	109.5	Y271	Y271-T273 PolarHBondContact O-N 3.31Å
274	P	31.3	Very low	31.2	Very low	93 Å²	93	148.3 Å²	148.3	60%	0.604	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-73.8	129.8	173.5	-13.9	29.2	0	0	0	111.2	W276	P274-W276 VanDerWaalsContact O-CD1 3.32Å
275	D	25.4	Very low	31.5	Very low	160 Å²	160	154.2 Å²	154.2	86%	0.856	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-70.2	137.8	174.6	-62.5	-51.8	0	0	0	111.7
276	W	32.9	Very low	31.4	Very low	214 Å²	214	156.7 Å²	156.7	81%	0.811	78%	0.782	S	S	*	*			trans	-119	120.6	169.7	-64.2	84	0	0	0	107.9	P274	P274-W276 VanDerWaalsContact O-CD1 3.32Å
277	T	30.8	Very low	31.2	Very low	121 Å²	121	158.9 Å²	158.9	74%	0.742	77%	0.774	S	S	*	*			trans	-70.1	139.2	-178.2	44.2	0	0	0	0	111.8	D279	T277-D279 PolarHBondContact O-N 3.11Å
278	E	34.8	Very low	31.2	Very low	163 Å²	163	157.5 Å²	157.5	76%	0.762	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-68.3	-9.5	-165.1	-60	-177.8	102.9	0	0	116	E280 L281	E278-E280 PolarHBondContact O-N 3.26Å; E278-L281 PolarHBondContact O-N 2.78Å
279	D	31.9	Very low	31.4	Very low	144 Å²	144	157.2 Å²	157.2	77%	0.77	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-67.8	-27.3	-172.9	-82.2	-39.9	0	0	0	114.8	T277 L281 R282	T277-D279 PolarHBondContact O-N 3.11Å; D279-L281 PolarHBondContact O-N 3.12Å; D279-L281 VanDerWaalsContact O-N 3.12Å; D279-R282 PolarHBondContact O-N 3.3Å
280	E	34.1	Very low	31.6	Very low	164 Å²	164	154.5 Å²	154.5	77%	0.766	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-69.9	-6.5	178.1	-67.9	-164.5	144.6	0	0	113.7	E278 R282	E278-E280 PolarHBondContact O-N 3.26Å; E280-R282 VanDerWaalsContact C-N 3.35Å
281	L	34.1	Very low	32.2	Very low	136 Å²	136	152.4 Å²	152.4	71%	0.712	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-85.8	0.9	178.2	-73	160.9	0	0	0	114.2	E278 D279	E278-L281 PolarHBondContact O-N 2.78Å; D279-L281 PolarHBondContact O-N 3.12Å; D279-L281 VanDerWaalsContact O-N 3.12Å
282	R	33.1	Very low	32.9	Very low	220 Å²	220	149.3 Å²	149.3	83%	0.83	75%	0.746	S	S	*	*			trans	-111.6	32.7	-172.4	-84.8	-159.3	160.5	89.8	4.7	117.2	D279 E280	D279-R282 PolarHBondContact O-N 3.3Å; E280-R282 VanDerWaalsContact C-N 3.35Å
283	T	32.1	Very low	33.6	Very low	131 Å²	131	153.2 Å²	153.2	80%	0.804	75%	0.746	S	S	*	*			trans	-117.5	70.6	163	49.7	0	0	0	0	112.2
284	N	34.5	Very low	33.8	Very low	155 Å²	155	153.6 Å²	153.6	83%	0.829	75%	0.748	S	S	*	*			trans	-91.3	99.4	161.4	-84.6	-95	0	0	0	109.1
285	E	33.4	Very low	33.8	Very low	186 Å²	186	156 Å²	156	87%	0.869	76%	0.756	S	S	*	*			trans	-104.8	132.7	149	-72.9	-157.1	131.6	0	0	108.5	I287	E285-I287 PolarHBondContact O-N 3.07Å
286	E	32.4	Very low	34.1	Very low	191 Å²	191	157.3 Å²	157.3	89%	0.893	76%	0.757	S	S	*	*			trans	-87.3	98.1	-171.7	-174	176.3	179.4	0	0	110.2	P288	E286-P288 VanDerWaalsContact O-CD 3.32Å; E286-P288 WeakPolarHBondContact O-CD 3.5Å
287	I	32.1	Very low	33.9	Very low	125 Å²	125	154.5 Å²	154.5	64%	0.641	76%	0.758	S	S	*	*			trans	-69.7	121	179.2	-57.1	176.3	0	0	0	109.8	E285	E285-I287 PolarHBondContact O-N 3.07Å
288	P	31.8	Very low	33.9	Very low	82 Å²	82	152.3 Å²	152.3	53%	0.532	75%	0.752	S	S	.	*			trans	-65.4	150.5	-178.1	-23.8	36	0	0	0	114.2	E286 E290 E291	E286-P288 VanDerWaalsContact O-CD 3.32Å; E286-P288 WeakPolarHBondContact O-CD 3.5Å; P288-E290 VanDerWaalsContact C-N 3.25Å; P288-E290 PolarHBondContact O-N 3.4Å; P288-E290 VanDerWaalsContact O-N 3.08Å; P288-E291 PolarHBondContact O-N 3.31Å
289	Y	32.9	Very low	33.8	Very low	188 Å²	188	153.9 Å²	153.9	74%	0.737	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-24.8	-168.8	-167.8	-102.6	0	0	0	115.9
290	E	36.9	Very low	33.6	Very low	154 Å²	154	153.1 Å²	153.1	72%	0.72	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-27.5	-174	-65	-66.7	117.5	0	0	113.8	P288 L292	P288-E290 VanDerWaalsContact C-N 3.25Å; P288-E290 PolarHBondContact O-N 3.4Å; P288-E290 VanDerWaalsContact O-N 3.08Å; E290-L292 VanDerWaalsContact C-N 3.3Å; E290-L292 PolarHBondContact O-N 3.09Å
291	E	38.1	Very low	33.5	Very low	137 Å²	137	153.8 Å²	153.8	64%	0.64	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-75.6	-16.5	-169.9	-62	-165.1	153.7	0	0	114.1	P288 W293	P288-E291 PolarHBondContact O-N 3.31Å; E291-W293 PolarHBondContact O-N 3.31Å; E291-W293 VanDerWaalsContact O-N 3.1Å
292	L	42.8	Very low	33.2	Very low	137 Å²	137	150.5 Å²	150.5	72%	0.717	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-70.2	-4	-177.1	-76.1	171.7	0	0	0	115.1	E290	E290-L292 VanDerWaalsContact C-N 3.3Å; E290-L292 PolarHBondContact O-N 3.09Å
293	W	43.9	Very low	33	Very low	216 Å²	216	149.7 Å²	149.7	82%	0.818	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-127.8	3.1	-168.8	-66.6	90.2	0	0	0	115.9	E291	E291-W293 PolarHBondContact O-N 3.31Å; E291-W293 VanDerWaalsContact O-N 3.1Å
294	T	31.2	Very low	32.9	Very low	108 Å²	108	151.8 Å²	151.8	66%	0.663	78%	0.775	S	S	*	*	S	Bend	trans	-121.4	85.5	-178.5	54.7	0	0	0	0	114.5
295	N	30.7	Very low	33.1	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	76%	0.763	S	S	*	*			trans	46.7	106.2	149	-62.2	-39.8	0	0	0	119.5
296	Q	32.6	Very low	32.8	Very low	189 Å²	189	147.7 Å²	147.7	88%	0.883	76%	0.764	S	S	*	*				-168.1	150.7	90.3	-110.1	153.8	112.9	0	0	117.1
297	N	27.3	Very low	32.8	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	76%	0.763	S	S	*	*			trans	12.5	157.7	143.9	-151	23.7	0	0	0	122.4
298	A	31.3	Very low	32.7	Very low	75 Å²	75	148.2 Å²	148.2	62%	0.62	77%	0.772	S	S	*	*			trans	-83.6	177.6	178.5	0	0	0	0	0	114.3
299	E	32.6	Very low	32.4	Very low	196 Å²	196	147.3 Å²	147.3	92%	0.916	77%	0.767	S	S	*	*			trans	83.8	107.5	163.4	-52.5	-166.1	139.4	0	0	118.7
300	S	27.5	Very low	32.2	Very low	128 Å²	128	148 Å²	148	90%	0.895	78%	0.775	S	S	*	*			trans	-150.8	64.1	155.1	177.4	0	0	0	0	111
301	L	31.8	Very low	31.7	Very low	179 Å²	179	148.1 Å²	148.1	94%	0.937	78%	0.775	S	S	*	*			trans	-133	112.9	158.1	-165.2	77.2	0	0	0	107.6
302	G	28.4	Very low	31.3	Very low	66 Å²	66	147.3 Å²	147.3	68%	0.68	78%	0.779	S	S	*	*			trans	-98.2	177.8	-165.8	0	0	0	0	0	115.8
303	K	28.1	Very low	30.8	Very low	204 Å²	204	145.8 Å²	145.8	89%	0.887	78%	0.78	S	S	*	*			trans	79.9	135.7	-174.6	-57.2	179.2	-179.7	179.5	0	113.8
304	E	30.4	Very low	30.1	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	78%	0.777	S	S	*	*			cis	-151.4	171.2	-4	-107.1	-83.1	103.9	0	0	107.5
305	P	38.3	Very low	30	Very low	87 Å²	87	139.9 Å²	139.9	57%	0.565	78%	0.776	S	S	*	*			trans	-90.5	167.6	-153.5	36.5	-39.5	0	0	0	115.2
306	N	27.3	Very low	30.3	Very low	169 Å²	169	140.7 Å²	140.7	90%	0.904	78%	0.78	S	S	*	*			trans	-144.2	143.3	142.8	-101.9	-66	0	0	0	111.4
307	L	32.6	Very low	30.2	Very low	164 Å²	164	139.3 Å²	139.3	86%	0.859	78%	0.778	S	S	*	*			trans	-87.7	135.6	-176	-59.7	159.9	0	0	0	110.7
308	I	30.1	Very low	30.3	Very low	162 Å²	162	135.3 Å²	135.3	83%	0.831	77%	0.773	S	S	*	*				-150.4	140	121.9	-34	174.9	0	0	0	108.7
309	S	25.2	Very low	30.2	Very low	63 Å²	63	137.7 Å²	137.7	44%	0.441	79%	0.786	S	S	.	*			trans	-93.5	153.6	169.5	173.4	0	0	0	0	110.9	H311	S309-H311 PolarHBondContact OG-CD2 2.87Å; S309-H311 VanDerWaalsContact OG-CD2 3.27Å; S309-H311 PolarHBondContact OG-NE2 3.49Å
310	F	28.4	Very low	30.1	Very low	204 Å²	204	136.4 Å²	136.4	90%	0.895	78%	0.784	S	S	*	*			trans	-144.5	142.6	132.8	-84.1	-63	0	0	0	111.8
311	H	26.4	Very low	30.2	Very low	155 Å²	155	133.4 Å²	133.4	72%	0.718	77%	0.774	S	S	*	*			trans	-89.4	-177.2	177.3	-55	-94.1	0	0	0	109.2	S309	S309-H311 PolarHBondContact OG-CD2 2.87Å; S309-H311 VanDerWaalsContact OG-CD2 3.27Å; S309-H311 PolarHBondContact OG-NE2 3.49Å
312	T	30	Very low	30.1	Very low	120 Å²	120	132.1 Å²	132.1	74%	0.736	77%	0.773	S	S	*	*			cis	-173.5	155.5	36.4	-32.8	0	0	0	0	111.1
313	S	32.4	Very low	30.4	Very low	106 Å²	106	135 Å²	135	74%	0.741	78%	0.777	S	S	*	*			trans	59.1	150.3	149	49.3	0	0	0	0	121
314	S	29.8	Very low	30.6	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	77%	0.771	S	S	*	*			cis	-171.7	-164.6	-15.6	61.8	0	0	0	0	107.8
315	S	29.1	Very low	30.8	Very low	91 Å²	91	129 Å²	129	64%	0.636	77%	0.77	S	S	*	*			cis	-165	126.9	-0.8	19.1	0	0	0	0	111.2
316	L	35.7	Very low	30.7	Very low	161 Å²	161	135.7 Å²	135.7	84%	0.843	78%	0.784	S	S	*	*			trans	60.4	160.9	141.8	-74.2	165	0	0	0	123.1
317	D	32.3	Very low	30.9	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	78%	0.782	S	S	*	*			trans	64.3	139.2	169.3	-58.1	-14.3	0	0	0	120.1
318	G	28.7	Very low	30.8	Very low	70 Å²	70	132 Å²	132	72%	0.722	78%	0.779	S	S	*	*			cis	170.9	135.8	-10.1	0	0	0	0	0	116.2
319	S	29.1	Very low	31	Very low	125 Å²	125	129.9 Å²	129.9	87%	0.874	77%	0.774	S	S	*	*			trans	76.6	162.5	165	-150.3	0	0	0	0	120.3
320	L	31.5	Very low	31.4	Very low	169 Å²	169	132.3 Å²	132.3	89%	0.885	79%	0.788	S	S	*	*			trans	-94.6	156.3	-167.6	-73.9	68.6	0	0	0	113.4
321	G	28	Very low	31.6	Very low	66 Å²	66	128 Å²	128	68%	0.68	78%	0.781	S	S	*	*			trans	170	101.6	155.1	0	0	0	0	0	119.4
322	T	31.3	Very low	32	Very low	151 Å²	151	126.7 Å²	126.7	93%	0.926	79%	0.785	S	S	*	*			trans	80.5	144.1	152.4	-34.9	0	0	0	0	119.1
323	V	33.3	Very low	32.2	Very low	126 Å²	126	128.5 Å²	128.5	76%	0.764	79%	0.789	S	S	*	*			trans	-98.7	131.9	-172.3	175.2	0	0	0	0	112.3
324	V	33.3	Very low	32.4	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	79%	0.787	S	S	*	*			trans	-140.9	123.2	151.3	-179.9	0	0	0	0	109.4	R326	V324-R326 PolarHBondContact O-N 3.4Å
325	T	34	Very low	32.8	Very low	130 Å²	130	129.3 Å²	129.3	80%	0.798	79%	0.789	S	S	*	*			trans	-66.6	125.9	177.8	-38.6	0	0	0	0	111.3
326	R	35.6	Very low	33.3	Very low	227 Å²	227	134.3 Å²	134.3	86%	0.857	80%	0.799	S	S	*	*			trans	-135	132.9	165.7	-72.5	-166.9	173.7	-170.8	-0.5	110.9	V324	V324-R326 PolarHBondContact O-N 3.4Å
327	V	32.3	Very low	33.9	Very low	143 Å²	143	130.4 Å²	130.4	87%	0.867	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67.3	128.1	176	177.8	0	0	0	0	109
328	S	31.4	Very low	34.8	Very low	112 Å²	112	127.4 Å²	127.4	78%	0.783	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-77	128.4	175.2	-166.1	0	0	0	0	110.4
329	T	34.3	Very low	35.6	Very low	118 Å²	118	127.6 Å²	127.6	72%	0.724	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-76.9	142.9	171.6	48.1	0	0	0	0	110.6
330	P	33.5	Very low	36.4	Very low	114 Å²	114	125.2 Å²	125.2	74%	0.74	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-62.9	154.5	176.7	27.6	-35.2	0	0	0	112.1
331	P	32.3	Very low	37.4	Very low	114 Å²	114	124.8 Å²	124.8	74%	0.74	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-66.1	156.1	-177.9	27.8	-35.4	0	0	0	112.8
332	P	33.9	Very low	38.7	Very low	126 Å²	126	126 Å²	126	82%	0.818	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-68.7	140	-175.6	28.1	-35.2	0	0	0	112.9
333	I	35.3	Very low	39.6	Very low	158 Å²	158	126.1 Å²	126.1	81%	0.81	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-69.1	132.5	174.2	-57.4	171.6	0	0	0	109
334	P	34.7	Very low	40.2	Very low	107 Å²	107	123.8 Å²	123.8	70%	0.695	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-64.3	143.5	176.9	26.5	-34.4	0	0	0	111.6
335	P	39.6	Very low	41.2	Very low	124 Å²	124	124.3 Å²	124.3	81%	0.805	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-66.9	152.9	-176.6	27.7	-34.9	0	0	0	112.4
336	K	39.7	Very low	41.8	Very low	196 Å²	196	127.6 Å²	127.6	85%	0.852	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-62.7	145.5	173.1	-66	-178.4	179.4	-179.9	0	110.3
337	S	48.3	Very low	42.2	Very low	79 Å²	79	123 Å²	123	55%	0.552	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-59.1	146.7	-169.5	49	0	0	0	0	114.5	A339 V340	S337-A339 PolarHBondContact O-N 2.77Å; S337-V340 PolarHBondContact O-N 2.94Å
338	D	49.9	Very low	43	Very low	97 Å²	97	124.8 Å²	124.8	52%	0.519	68%	0.68	S	S	.	*	H	α-helix	trans	-55.3	-23.8	177.8	-80.2	-60.9	0	0	0	114.4	V340 R341 E342	D338-V340 PolarHBondContact O-N 2.95Å; D338-V340 VanDerWaalsContact O-N 3.15Å; D338-R341 CarbonylContact O-C 3.51Å; D338-R341 WeakPolarHBondContact O-CA 3.45Å; D338-R341 WeakPolarHBondContact O-CB 3.44Å; D338-R341 PolarHBondContact O-N 3.39Å; D338-R341 IonicContact OD1-CZ 3.14Å; D338-R341 IonicContact OD1-NE 2.74Å; D338-R341 PolarHBondContact OD1-NE 3.39Å; D338-R341 IonicContact OD1-NH2 2.69Å; D338-R341 PolarHBondContact OD1-NH2 3.13Å; D338-E342 PolarHBondContact O-N 2.88Å
339	A	46.2	Very low	43.6	Very low	73 Å²	73	123.2 Å²	123.2	60%	0.603	67%	0.674	S	S	*	*	H	α-helix	trans	-51.2	-36.3	172.2	0	0	0	0	0	113	S337	S337-A339 PolarHBondContact O-N 2.77Å
340	V	46.8	Very low	43.7	Very low	75 Å²	75	123 Å²	123	46%	0.455	68%	0.675	S	S	.	*	H	α-helix	trans	-77.4	-28	176.9	-172.1	0	0	0	0	111.7	S337 D338 E342 C344	S337-V340 PolarHBondContact O-N 2.94Å; D338-V340 PolarHBondContact O-N 2.95Å; D338-V340 VanDerWaalsContact O-N 3.15Å; V340-E342 VanDerWaalsContact C-N 3.34Å; V340-C344 PolarHBondContact O-N 2.64Å; V340-C344 PolarHBondContact O-SG 2.9Å
341	R	52.1	Low	43.9	Very low	160 Å²	160	123.7 Å²	123.7	60%	0.604	68%	0.679	S	S	*	*	H	α-helix	trans	-77.4	-20.5	178.2	-170.3	171.1	66.1	95.5	-1.5	112.9	D338 R345	D338-R341 CarbonylContact O-C 3.51Å; D338-R341 WeakPolarHBondContact O-CA 3.45Å; D338-R341 WeakPolarHBondContact O-CB 3.44Å; D338-R341 PolarHBondContact O-N 3.39Å; D338-R341 IonicContact OD1-CZ 3.14Å; D338-R341 IonicContact OD1-NE 2.74Å; D338-R341 PolarHBondContact OD1-NE 3.39Å; D338-R341 IonicContact OD1-NH2 2.69Å; D338-R341 PolarHBondContact OD1-NH2 3.13Å; R341-R345 PolarHBondContact O-NH2 2.83Å
342	E	53.9	Low	44.1	Very low	93 Å²	93	124.7 Å²	124.7	44%	0.435	68%	0.683	S	S	.	*	H	α-helix	trans	-78.8	-49.1	174.5	-141.3	63.5	-159.7	0	0	111.3	D338 V340 C344 R345	D338-E342 PolarHBondContact O-N 2.88Å; V340-E342 VanDerWaalsContact C-N 3.34Å; E342-C344 PolarHBondContact O-N 2.85Å; E342-R345 VanDerWaalsContact CD-NH1 3.32Å; E342-R345 WeakPolarHBondContact O-CB 3.33Å; E342-R345 PolarHBondContact O-N 3.34Å; E342-R345 VanDerWaalsContact O-N 3.16Å; E342-R345 IonicContact OE1-CZ 3.45Å; E342-R345 IonicContact OE1-NH1 2.68Å; E342-R345 PolarHBondContact OE1-NH1 3.29Å; E342-R345 IonicContact OE1-NH2 3.41Å; E342-R345 PolarHBondContact OE1-NH2 2.96Å; E342-R345 IonicContact OE2-CZ 3.5Å; E342-R345 IonicContact OE2-NH1 3.52Å; E342-R345 IonicContact OE2-NH2 2.67Å; E342-R345 PolarHBondContact OE2-NH2 3.29Å
343	E	50.7	Low	44.1	Very low	153 Å²	153	123.7 Å²	123.7	72%	0.715	68%	0.677	S	S	*	*	H	α-helix	trans	-63	-41.8	-176.4	-169.1	173.6	-147	0	0	112.7	R345 Y346	E343-R345 PolarHBondContact O-N 2.82Å; E343-R345 VanDerWaalsContact O-N 3.14Å; E343-Y346 PolarHBondContact O-N 3.05Å
344	C	47.1	Very low	44.2	Very low	77 Å²	77	121.8 Å²	121.8	52%	0.52	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-66	-14	178	-65.9	0	0	0	0	114.6	V340 E342 Y346 L347	V340-C344 PolarHBondContact O-N 2.64Å; V340-C344 PolarHBondContact O-SG 2.9Å; E342-C344 PolarHBondContact O-N 2.85Å; C344-Y346 VanDerWaalsContact C-N 3.29Å; C344-Y346 PolarHBondContact O-N 3.03Å; C344-L347 PolarHBondContact O-N 3.15Å
345	R	53.6	Low	44.3	Very low	135 Å²	135	128.5 Å²	128.5	51%	0.509	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-73.4	-20.2	-177.5	-159.5	179.5	-55.5	131.2	18.2	113.5	R341 E342 E343	R341-R345 PolarHBondContact O-NH2 2.83Å; E342-R345 VanDerWaalsContact CD-NH1 3.32Å; E342-R345 WeakPolarHBondContact O-CB 3.33Å; E342-R345 PolarHBondContact O-N 3.34Å; E342-R345 VanDerWaalsContact O-N 3.16Å; E342-R345 IonicContact OE1-CZ 3.45Å; E342-R345 IonicContact OE1-NH1 2.68Å; E342-R345 PolarHBondContact OE1-NH1 3.29Å; E342-R345 IonicContact OE1-NH2 3.41Å; E342-R345 PolarHBondContact OE1-NH2 2.96Å; E342-R345 IonicContact OE2-CZ 3.5Å; E342-R345 IonicContact OE2-NH1 3.52Å; E342-R345 IonicContact OE2-NH2 2.67Å; E342-R345 PolarHBondContact OE2-NH2 3.29Å; E343-R345 PolarHBondContact O-N 2.82Å; E343-R345 VanDerWaalsContact O-N 3.14Å
346	Y	46	Very low	44	Very low	198 Å²	198	128.6 Å²	128.6	78%	0.776	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-88.5	-3.9	178.4	-72.7	-83.4	0	0	0	113.8	E343 C344 L348	E343-Y346 PolarHBondContact O-N 3.05Å; C344-Y346 VanDerWaalsContact C-N 3.29Å; C344-Y346 PolarHBondContact O-N 3.03Å; Y346-L348 PolarHBondContact O-N 3.31Å
347	L	44.9	Very low	43.8	Very low	131 Å²	131	124.7 Å²	124.7	69%	0.686	69%	0.685	S	S	*	*			trans	-88.1	105.2	174.5	-63.9	177.3	0	0	0	110	C344 A349	C344-L347 PolarHBondContact O-N 3.15Å; L347-A349 PolarHBondContact O-N 3.36Å
348	L	49.1	Very low	43.2	Very low	181 Å²	181	131.2 Å²	131.2	95%	0.948	70%	0.704	S	S	*	*			trans	-72	59.6	177.1	-68.4	171.6	0	0	0	112.6	Y346	Y346-L348 PolarHBondContact O-N 3.31Å
349	A	44	Very low	42.2	Very low	79 Å²	79	130.4 Å²	130.4	65%	0.653	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-83.6	130	171.2	0	0	0	0	0	110.3	L347	L347-A349 PolarHBondContact O-N 3.36Å
350	P	36.1	Very low	41.4	Very low	114 Å²	114	130.7 Å²	130.7	74%	0.74	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.2	176.7	28.3	-34.2	0	0	0	111.3
351	P	38.4	Very low	40.6	Very low	128 Å²	128	132.4 Å²	132.4	83%	0.831	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-69.3	135.6	-173.8	27.5	-34.9	0	0	0	112.7
352	V	36.6	Very low	39.6	Very low	134 Å²	134	130.9 Å²	130.9	81%	0.812	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-81.4	130	173.2	-179.7	0	0	0	0	109.4
353	P	32.4	Very low	38.6	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-68.9	148	-178.9	27.4	-34.7	0	0	0	112.6
354	P	38.7	Very low	37.8	Very low	117 Å²	117	130.6 Å²	130.6	76%	0.76	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-71.3	144.2	-175.4	29.1	-35.4	0	0	0	112.7	C356	P354-C356 PolarHBondContact O-N 3.25Å
355	R	37.2	Very low	37.5	Very low	249 Å²	249	132.4 Å²	132.4	94%	0.94	79%	0.788	S	S	*	*			trans	-83	109.8	172.1	-68.6	-179.1	177.5	175.2	-0.9	110.2
356	C	32.6	Very low	36.6	Very low	126 Å²	126	130.6 Å²	130.6	85%	0.851	80%	0.802	S	S	*	*			trans	-71	151.3	175.1	-64.8	0	0	0	0	112.8	P354	P354-C356 PolarHBondContact O-N 3.25Å
357	S	35.3	Very low	36	Very low	113 Å²	113	127.1 Å²	127.1	79%	0.79	80%	0.804	S	S	*	*			trans	-120	110.4	-175.7	37.8	0	0	0	0	113.6
358	K	36	Very low	35.6	Very low	216 Å²	216	126.3 Å²	126.3	94%	0.939	81%	0.809	S	S	*	*			trans	65.7	110.9	145.2	-165.1	176.9	-173.9	177.5	0	119.8
359	G	29.4	Very low	35.3	Very low	80 Å²	80	123.4 Å²	123.4	83%	0.825	80%	0.801	S	S	*	*			trans	170	140.3	154.1	0	0	0	0	0	116.2
360	G	28.9	Very low	34.9	Very low	80 Å²	80	125.8 Å²	125.8	83%	0.825	81%	0.81	S	S	*	*			trans	93.9	79.5	146.8	0	0	0	0	0	121.9
361	S	30.1	Very low	35.1	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	81%	0.812	S	S	*	*			trans	36.6	142.5	135.5	-137.2	0	0	0	0	125.5
362	V	31.6	Very low	35.2	Very low	127 Å²	127	125.7 Å²	125.7	77%	0.77	81%	0.806	S	S	*	*			trans	64.9	139.5	154.6	-69.5	0	0	0	0	124.4
363	S	32.6	Very low	35.2	Very low	124 Å²	124	125.5 Å²	125.5	87%	0.867	81%	0.808	S	S	*	*			trans	82.3	153	163.3	71.7	0	0	0	0	119.8
364	S	33.1	Very low	35.4	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	81%	0.812	S	S	*	*			trans	-121.1	-174.8	-161.2	-25.9	0	0	0	0	111.4
365	P	40.9	Very low	35.4	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	81%	0.809	S	S	*	*			cis	-135.1	164.7	-18.6	38.8	-22.9	0	0	0	115.2
366	A	34.4	Very low	35.7	Very low	97 Å²	97	126.6 Å²	126.6	80%	0.802	81%	0.805	S	S	*	*			trans	62.8	168.2	155	0	0	0	0	0	118
367	P	34.5	Very low	35.6	Very low	126 Å²	126	129.2 Å²	129.2	82%	0.818	80%	0.802	S	S	*	*			cis	-124.9	176.6	3.9	42.7	-28.2	0	0	0	116.1
368	S	36.8	Very low	35.4	Very low	114 Å²	114	131 Å²	131	80%	0.797	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-91.4	151.9	176.1	-53.3	0	0	0	0	113.2
369	P	41.6	Very low	35.1	Very low	119 Å²	119	125.7 Å²	125.7	77%	0.773	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-74.4	159.1	172.5	31.5	-35.3	0	0	0	113.2
370	P	35.9	Very low	35.2	Very low	129 Å²	129	127.7 Å²	127.7	84%	0.838	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-85.1	161.1	-166.7	33.6	-37.4	0	0	0	115.8
371	V	39.7	Very low	35.3	Very low	131 Å²	131	128.8 Å²	128.8	79%	0.794	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-96.2	142.5	175.9	177.9	0	0	0	0	110.7
372	P	41.2	Very low	35.8	Very low	109 Å²	109	129.1 Å²	129.1	71%	0.708	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68	142.2	176.9	-19.9	32.8	0	0	0	113.8
373	P	36.3	Very low	36.2	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74	162.7	179.6	31.1	-35.9	0	0	0	113.5
374	R	37.1	Very low	36.6	Very low	204 Å²	204	134.6 Å²	134.6	77%	0.77	79%	0.793	S	S	*	*			trans	-139.7	160.7	176.8	-67.4	-179.9	170.7	168.8	-5.5	111.5
375	F	38.8	Very low	36.6	Very low	161 Å²	161	136.3 Å²	136.3	71%	0.706	79%	0.793	S	S	*	*			trans	75.5	159.7	156.9	-60.4	-41.1	0	0	0	116.7
376	P	42.3	Very low	36.2	Very low	130 Å²	130	137.4 Å²	137.4	84%	0.844	79%	0.792	S	S	*	*			cis	-119.6	-173.1	17	41.2	-26.9	0	0	0	117.9
377	K	31.8	Very low	36.3	Very low	182 Å²	182	137.6 Å²	137.6	79%	0.791	79%	0.788	S	S	*	*			trans	-107.8	162.4	-172.1	-53.4	169.2	177.9	174.3	0	112.2
378	T	29.6	Very low	36.2	Very low	150 Å²	150	140 Å²	140	92%	0.92	79%	0.785	S	S	*	*			trans	-148	161.7	143.9	12.9	0	0	0	0	112.4
379	S	30.9	Very low	35.9	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	79%	0.786	S	S	*	*			trans	-66.2	165	179.8	-167.8	0	0	0	0	112.2
380	T	31.2	Very low	35.5	Very low	122 Å²	122	143.5 Å²	143.5	75%	0.748	78%	0.782	S	S	*	*			cis	-162.7	168.7	37.7	-46.4	0	0	0	0	112.7
381	S	30.1	Very low	35.5	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	79%	0.785	S	S	*	*			trans	-78.7	178.5	167.8	68.5	0	0	0	0	112.2
382	P	42.2	Very low	35.1	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	79%	0.787	S	S	*	*			cis	-136.3	-164.7	12.2	43.7	-24	0	0	0	116.2
383	R	38.6	Very low	34.7	Very low	239 Å²	239	143.9 Å²	143.9	90%	0.902	80%	0.795	S	S	*	*			trans	-81.1	155	171.5	-72.8	179.5	168.8	179.5	-4.5	112.9
384	P	41.8	Very low	34.6	Very low	126 Å²	126	146.2 Å²	146.2	82%	0.818	80%	0.795	S	S	*	*				-137.6	-179.7	128.8	37.6	-24.9	0	0	0	114.5
385	N	32.5	Very low	34.2	Very low	153 Å²	153	142.9 Å²	142.9	82%	0.818	79%	0.793	S	S	*	*			trans	-105.2	159.5	175.2	-58.4	-73.8	0	0	0	111.7
386	L	33.5	Very low	33.8	Very low	138 Å²	138	139.8 Å²	139.8	72%	0.723	79%	0.791	S	S	*	*			trans	167	135.7	144.6	-109.6	66	0	0	0	105.4	F388	L386-F388 HydrophobicContact CD2-CD2 4.26Å; L386-F388 HydrophobicContact CD2-CE2 4Å
387	S	35.8	Very low	33.1	Very low	101 Å²	101	139.6 Å²	139.6	71%	0.706	79%	0.791	S	S	*	*			cis	70.4	104	27.2	83.7	0	0	0	0	115.4
388	F	32.1	Very low	33.2	Very low	175 Å²	175	136.6 Å²	136.6	77%	0.768	79%	0.793	S	S	*	*			trans	-152.7	151.2	165.3	-114.1	-71.4	0	0	0	113.7	L386	L386-F388 HydrophobicContact CD2-CD2 4.26Å; L386-F388 HydrophobicContact CD2-CE2 4Å
389	Y	31.4	Very low	33.5	Very low	208 Å²	208	135.6 Å²	135.6	82%	0.816	79%	0.789	S	S	*	*			trans	67	122.3	171	-92.5	-79.2	0	0	0	121.4
390	S	32.8	Very low	33.6	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	79%	0.791	S	S	*	*			trans	-123.6	164.7	166.9	-58.5	0	0	0	0	109
391	S	36	Very low	34.8	Very low	128 Å²	128	134.7 Å²	134.7	90%	0.895	79%	0.786	S	S	*	*			trans	72.7	133.5	159	-53.2	0	0	0	0	118.1
392	G	30.2	Very low	34.8	Very low	82 Å²	82	137 Å²	137	85%	0.845	79%	0.79	S	S	*	*			trans	171.2	64.9	177.7	0	0	0	0	0	112.3
393	L	34	Very low	34.3	Very low	167 Å²	167	135.5 Å²	135.5	87%	0.874	79%	0.788	S	S	*	*			trans	-78.8	126.3	173.2	179.8	69.2	0	0	0	109.5
394	Q	33.3	Very low	34	Very low	180 Å²	180	129.9 Å²	129.9	84%	0.841	78%	0.78	S	S	*	*			trans	-142.2	161.5	166.3	-90.7	-64.5	0.5	0	0	109.8
395	D	29.8	Very low	33.6	Very low	134 Å²	134	130.6 Å²	130.6	72%	0.717	78%	0.776	S	S	*	*			trans	-112.4	154.4	-153.2	-143.5	-44.6	0	0	0	115.2
396	S	29.1	Very low	33.7	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	78%	0.776	S	S	*	*			trans	70.8	164.1	149.7	-72.8	0	0	0	0	122.6
397	C	28.4	Very low	33.4	Very low	126 Å²	126	132.4 Å²	132.4	85%	0.851	78%	0.78	S	S	*	*			trans	76.1	96.8	165.6	-62.1	0	0	0	0	120.3
398	S	33.1	Very low	33	Very low	118 Å²	118	138 Å²	138	83%	0.825	79%	0.787	S	S	*	*			trans	-72	156.9	140.4	-50.7	0	0	0	0	110
399	P	37.4	Very low	34.2	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	78%	0.782	S	S	*	*				-146.1	174.5	94.1	39.9	-24.7	0	0	0	115.8
400	S	32.8	Very low	34.1	Very low	110 Å²	110	130 Å²	130	77%	0.769	78%	0.78	S	S	*	*			trans	-110.2	169.1	162.6	-149.1	0	0	0	0	107.3
401	P	56	Low	34.2	Very low	98 Å²	98	130.3 Å²	130.3	64%	0.636	78%	0.782	S	S	*	*			cis	-147.9	-158.6	19.9	37.9	-12.1	0	0	0	116.8
402	D	30.6	Very low	33.8	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	78%	0.782	S	S	*	*			trans	93.9	142.6	147.8	-68.3	-19.5	0	0	0	124.9
403	A	30.6	Very low	33.9	Very low	87 Å²	87	136.1 Å²	136.1	72%	0.719	78%	0.778	S	S	*	*			trans	75.9	140.9	153	0	0	0	0	0	121.5
404	T	33.4	Very low	33.8	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	78%	0.775	S	S	*	*			cis	-168.2	140.7	-13.9	22	0	0	0	0	114.5
405	L	33.7	Very low	33.6	Very low	141 Å²	141	132.9 Å²	132.9	74%	0.738	78%	0.777	S	S	*	*			trans	70.5	117.1	138.1	-56.6	168.1	0	0	0	125.9
406	Y	32.8	Very low	34.4	Very low	210 Å²	210	132.7 Å²	132.7	82%	0.824	78%	0.783	S	S	*	*			trans	56.4	161.2	137.4	-69.4	-82	0	0	0	123.4
407	C	28.3	Very low	34.2	Very low	118 Å²	118	132.9 Å²	132.9	80%	0.797	79%	0.79	S	S	*	*			cis	-150	-174.5	12.6	-144.9	0	0	0	0	116.3
408	Y	28.4	Very low	35	Very low	220 Å²	220	132.9 Å²	132.9	86%	0.863	79%	0.788	S	S	*	*			trans	-108.5	-162	-171.7	-112.1	-113	0	0	0	112.4
409	P	55.6	Low	35.2	Very low	102 Å²	102	134.7 Å²	134.7	66%	0.662	79%	0.789	S	S	*	*			cis	-140.3	-164.8	-3.5	27.8	-0.2	0	0	0	117.6
410	C	29.5	Very low	35.5	Very low	112 Å²	112	134.9 Å²	134.9	76%	0.757	79%	0.79	S	S	*	*			trans	97.8	158.5	151.4	-60.2	0	0	0	0	120.6
411	S	35.1	Very low	35.3	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	79%	0.793	S	S	*	*				176.2	140.1	-66.4	51.4	0	0	0	0	112.1
412	W	28.8	Very low	34.1	Very low	239 Å²	239	134.4 Å²	134.4	91%	0.905	80%	0.802	S	S	*	*			trans	-156.3	147.1	155	74.5	-73.6	0	0	0	113.4
413	A	31.7	Very low	35	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	80%	0.795	S	S	*	*			trans	-163	142.6	166.6	0	0	0	0	0	108
414	D	31.7	Very low	35	Very low	149 Å²	149	135.2 Å²	135.2	80%	0.797	80%	0.8	S	S	*	*			trans	-148.4	132.1	-176.6	-116.5	-41.2	0	0	0	111.7
415	C	28.5	Very low	35.8	Very low	131 Å²	131	134.2 Å²	134.2	89%	0.885	80%	0.795	S	S	*	*			trans	-175.7	116.5	169	-115	0	0	0	0	110.1
416	P	46.3	Very low	35.6	Very low	130 Å²	130	133.9 Å²	133.9	84%	0.844	80%	0.799	S	S	*	*			trans	-107.9	142.5	-172	37.1	-32.5	0	0	0	115.8
417	A	26.6	Very low	35.4	Very low	99 Å²	99	129.3 Å²	129.3	82%	0.818	80%	0.798	S	S	*	*			trans	-154.1	145.5	155.2	0	0	0	0	0	109.9
418	P	43.8	Very low	35.4	Very low	126 Å²	126	128.3 Å²	128.3	82%	0.818	80%	0.798	S	S	*	*			trans	-102.7	154.6	-165.9	37.9	-35.4	0	0	0	116.5
419	N	36.8	Very low	35.6	Very low	156 Å²	156	124.3 Å²	124.3	83%	0.834	80%	0.797	S	S	*	*			trans	-83.4	172.3	163.9	-60.1	-42.6	0	0	0	111.1
420	P	45.3	Very low	35.1	Very low	134 Å²	134	125 Å²	125	87%	0.87	80%	0.802	S	S	*	*				-151.6	163.6	90.5	39.3	-22.3	0	0	0	116.7
421	G	27.9	Very low	35.2	Very low	81 Å²	81	123.6 Å²	123.6	84%	0.835	80%	0.798	S	S	*	*			trans	132.1	130.6	154.3	0	0	0	0	0	118.3
422	S	31.6	Very low	35	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	80%	0.795	S	S	*	*			trans	-144.7	-178.6	166.6	65.3	0	0	0	0	107.8
423	P	48.8	Very low	35	Very low	103 Å²	103	120.2 Å²	120.2	67%	0.669	78%	0.784	S	S	*	*			cis	-137.2	-179.2	2.5	43.9	-25.8	0	0	0	116.5
424	D	29.6	Very low	34.8	Very low	152 Å²	152	121 Å²	121	81%	0.813	78%	0.78	S	S	*	*			trans	30.8	162.2	140.6	-71.9	-21.7	0	0	0	124.6
425	P	51	Low	34.7	Very low	101 Å²	101	118.5 Å²	118.5	66%	0.656	77%	0.774	S	S	*	*			cis	-139.8	-161.4	-22.1	37.5	-16.5	0	0	0	114.4
426	T	28.8	Very low	34.7	Very low	134 Å²	134	117.5 Å²	117.5	82%	0.822	77%	0.768	S	S	*	*			trans	71	151.5	161.7	38.3	0	0	0	0	119.3
427	S	30.1	Very low	33.8	Very low	113 Å²	113	116.8 Å²	116.8	79%	0.79	77%	0.767	S	S	*	*			cis	-162.2	-178.3	-5.1	50.3	0	0	0	0	112.7
428	A	27.6	Very low	34	Very low	98 Å²	98	121 Å²	121	81%	0.81	77%	0.769	S	S	*	*			trans	98.4	138.3	160.5	0	0	0	0	0	120.8
429	T	31.9	Very low	34	Very low	135 Å²	135	120.4 Å²	120.4	83%	0.828	77%	0.766	S	S	*	*			trans	-134.8	-177.2	-178.1	45.8	0	0	0	0	108.7
430	P	45.6	Very low	33.5	Very low	118 Å²	118	117 Å²	117	77%	0.766	76%	0.759	S	S	*	*			cis	-112	-138.7	-0.4	29.4	-5.1	0	0	0	110.9
431	A	32	Very low	32.6	Very low	81 Å²	81	119.8 Å²	119.8	67%	0.669	76%	0.761	S	S	*	*			cis	-166.3	167.9	7.4	0	0	0	0	0	108.9
432	E	29.8	Very low	32.5	Very low	148 Å²	148	120.2 Å²	120.2	69%	0.692	76%	0.756	S	S	*	*			cis	-166.1	175	-11.6	-136.4	170.5	-98.9	0	0	110.3
433	N	29.1	Very low	32.2	Very low	126 Å²	126	120.8 Å²	120.8	67%	0.674	76%	0.755	S	S	*	*			trans	61.6	129.5	148.9	-71.9	-23	0	0	0	122.7
434	T	29	Very low	31.1	Very low	109 Å²	109	128.3 Å²	128.3	67%	0.669	77%	0.77	S	S	*	*			cis	-158.3	146.5	-10.7	-40.5	0	0	0	0	111.5
435	S	29.3	Very low	30.9	Very low	97 Å²	97	125 Å²	125	68%	0.678	76%	0.763	S	S	*	*			trans	56.6	127.9	158.4	52	0	0	0	0	120.5
436	S	27.2	Very low	30.1	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	77%	0.769	S	S	*	*			cis	78.7	131.6	35.6	86.6	0	0	0	0	114
437	S	28.2	Very low	30.6	Very low	116 Å²	116	126.2 Å²	126.2	81%	0.811	76%	0.76	S	S	*	*			cis	-158.9	172.3	9	-82.2	0	0	0	0	112.9
438	Q	30.2	Very low	30.6	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	76%	0.762	S	S	*	*			trans	-80.7	-172.4	163.3	-57.7	-176.8	-66.7	0	0	110.7
439	P	44.6	Very low	30.6	Very low	115 Å²	115	131.7 Å²	131.7	75%	0.747	75%	0.753	S	S	*	*			cis	-148.2	179.8	9	45.9	-25.2	0	0	0	119.8
440	A	25.6	Very low	30.3	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	76%	0.755	S	S	*	*			trans	51	118	140.5	0	0	0	0	0	125.3
441	Q	27.2	Very low	29.4	Very low	193 Å²	193	132.8 Å²	132.8	90%	0.902	75%	0.748	S	S	*	*			trans	69.3	153.9	130.9	-74.1	-166.4	-22.2	0	0	124.4
442	A	25.6	Very low	29.2	Very low	90 Å²	90	138.5 Å²	138.5	74%	0.744	76%	0.758	S	S	*	*			trans	83.3	84.5	155.3	0	0	0	0	0	120.9
443	T	24.7	Very low	29.2	Very low	128 Å²	128	137.5 Å²	137.5	79%	0.785	76%	0.763	S	S	*	*				29.7	116.8	122	-44.5	0	0	0	0	120.4
444	W	25.5	Very low	29.4	Very low	262 Å²	262	137 Å²	137	99%	0.992	77%	0.769	S	S	*	*			trans	-153	177.5	138.8	-88.6	109.9	0	0	0	109.7
445	A	26.2	Very low	30.2	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	77%	0.773	S	S	*	*			trans	-108.3	160.8	-161.7	0	0	0	0	0	115.9
446	E	34	Very low	30.5	Very low	167 Å²	167	139 Å²	139	78%	0.78	78%	0.779	S	S	*	*			trans	10	152.1	136.1	-57.9	-57.1	143.4	0	0	118.6
447	P	39.3	Very low	31.4	Very low	95 Å²	95	138.8 Å²	138.8	62%	0.617	78%	0.775	S	S	*	*			cis	-158	-172	44	28.9	0.2	0	0	0	119.3
448	W	29.9	Very low	31.5	Very low	225 Å²	225	144 Å²	144	85%	0.852	78%	0.777	S	S	*	*			trans	75.7	147.2	164.7	-62	85.7	0	0	0	118.6
449	V	27.8	Very low	31.5	Very low	101 Å²	101	142.9 Å²	142.9	61%	0.612	78%	0.776	S	S	*	*			cis	-166.2	149.5	-30.6	106.6	0	0	0	0	109.2
450	E	25.5	Very low	30.8	Very low	186 Å²	186	148.1 Å²	148.1	87%	0.869	78%	0.781	S	S	*	*			trans	-159.6	157.6	135.8	-119.7	176.4	-153.4	0	0	110.5
451	S	26.6	Very low	31.2	Very low	89 Å²	89	149.3 Å²	149.3	62%	0.622	78%	0.782	S	S	*	*			trans	-146.8	139.7	-163.2	-62.6	0	0	0	0	113.7
452	F	28.8	Very low	31.7	Very low	201 Å²	201	145.7 Å²	145.7	88%	0.882	78%	0.775	S	S	*	*			trans	-138.9	93.4	155.7	-84.1	-69.6	0	0	0	113.1
453	T	28.7	Very low	32.5	Very low	128 Å²	128	146.7 Å²	146.7	79%	0.785	77%	0.774	S	S	*	*			trans	37.7	119.4	139.3	-30.3	0	0	0	0	121
454	S	32.7	Very low	33.5	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	77%	0.768	S	S	*	*			trans	-155.3	135	162.3	57.8	0	0	0	0	116
455	P	46.7	Very low	33.7	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	76%	0.762	S	S	*	*			trans	-116.7	-165.9	151.9	43.5	-33.2	0	0	0	109
456	T	35.3	Very low	33.9	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	76%	0.761	S	S	*	*			cis	-132.6	166.4	0.8	20.5	0	0	0	0	109.5
457	P	45.6	Very low	33.9	Very low	106 Å²	106	145.8 Å²	145.8	69%	0.688	77%	0.767	S	S	*	*			trans	-134.7	-172.7	-144.8	37.5	-17.6	0	0	0	117.9
458	R	31.6	Very low	33.4	Very low	224 Å²	224	151.1 Å²	151.1	85%	0.845	78%	0.781	S	S	*	*			trans	97.6	137.4	161.5	-61.9	176.2	-175.7	-161.2	-0.1	115.4
459	L	29.6	Very low	33.5	Very low	163 Å²	163	144.8 Å²	144.8	85%	0.853	78%	0.776	S	S	*	*			cis	-148	-171.4	6.9	-117.8	161	0	0	0	113.2
460	R	29.3	Very low	33.7	Very low	226 Å²	226	145.9 Å²	145.9	85%	0.853	79%	0.785	S	S	*	*			trans	-130.7	179.9	-166.3	-131.4	-174.1	-178	167.4	1.8	109.3
461	P	33.9	Very low	34.1	Very low	109 Å²	109	147.5 Å²	147.5	71%	0.708	79%	0.79	S	S	*	*			cis	-138.7	-142.3	5.9	49.8	-27.3	0	0	0	114.2
462	P	38.6	Very low	34.1	Very low	116 Å²	116	146.9 Å²	146.9	75%	0.753	80%	0.798	S	S	*	*			trans	-128.6	-122.7	-131.5	33.3	-2.6	0	0	0	117.5
463	P	41.9	Very low	34.1	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	80%	0.796	S	S	*	*			trans	-124.6	-145.5	-133.3	43.4	-21.3	0	0	0	113.3
464	P	45.1	Very low	34.3	Very low	102 Å²	102	144.4 Å²	144.4	66%	0.662	80%	0.802	S	S	*	*			cis	-119.1	-179.4	-46.3	30.4	-12	0	0	0	112.7
465	H	30.9	Very low	34.4	Very low	187 Å²	187	145.9 Å²	145.9	87%	0.866	80%	0.801	S	S	*	*				174.1	169.8	128.4	-110	-99.7	0	0	0	116.6
466	S	30.3	Very low	33.7	Very low	94 Å²	94	146 Å²	146	66%	0.657	80%	0.802	S	S	*	*			trans	-92.9	153.8	-178.5	169.2	0	0	0	0	114.7
467	R	32.7	Very low	33.7	Very low	236 Å²	236	149 Å²	149	89%	0.891	80%	0.804	S	S	*	*				-175	143.3	123	-103.8	177	-63.1	173.1	3.4	115.3
468	F	30.4	Very low	32.9	Very low	208 Å²	208	150.5 Å²	150.5	91%	0.912	81%	0.806	S	S	*	*			trans	-82.3	159.8	155.5	-102.9	-99.8	0	0	0	110.5
469	A	32.1	Very low	32.8	Very low	91 Å²	91	151.1 Å²	151.1	75%	0.752	81%	0.809	S	S	*	*			trans	-139.1	153.7	168.5	0	0	0	0	0	111.1
470	P	32.2	Very low	32.8	Very low	125 Å²	125	151.5 Å²	151.5	81%	0.812	81%	0.806	S	S	*	*			trans	-99	177.7	-165.4	39.2	-37.2	0	0	0	115.4
471	F	32.5	Very low	32.8	Very low	220 Å²	220	146.1 Å²	146.1	97%	0.965	80%	0.803	S	S	*	*			trans	-57.6	141.9	178.5	-73.7	-97.6	0	0	0	114.7
472	G	26.7	Very low	32.9	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	81%	0.806	S	S	*	*			trans	-151.9	141.5	168.1	0	0	0	0	0	111.2
473	A	29.1	Very low	32.5	Very low	102 Å²	102	146.6 Å²	146.6	84%	0.843	81%	0.808	S	S	*	*			trans	-51.8	160.5	-166.6	0	0	0	0	0	118.7
474	L	33.8	Very low	32.1	Very low	175 Å²	175	147.6 Å²	147.6	92%	0.916	81%	0.814	S	S	*	*			trans	-162.1	151.5	136.4	-105.6	172.6	0	0	0	111.9
475	N	33.9	Very low	31.3	Very low	144 Å²	144	147.9 Å²	147.9	77%	0.77	82%	0.818	S	S	*	*			trans	-92.3	137.7	-175.1	-86	-30.1	0	0	0	113.2	F477	N475-F477 PolarHBondContact O-N 2.87Å
476	P	32.4	Very low	31.8	Very low	120 Å²	120	145 Å²	145	78%	0.779	82%	0.816	S	S	*	*			trans	-94.1	39.5	174.9	39	-36.4	0	0	0	113.6
477	F	34	Very low	31.8	Very low	194 Å²	194	149.2 Å²	149.2	85%	0.851	83%	0.825	S	S	*	*			trans	-123	52.4	178.9	-87.7	-63.4	0	0	0	112.8	N475	N475-F477 PolarHBondContact O-N 2.87Å
478	N	28.9	Very low	32.2	Very low	137 Å²	137	144 Å²	144	73%	0.733	82%	0.822	S	S	*	*			trans	-163.8	116.3	153.6	-139.8	-26.5	0	0	0	113.8
479	R	31.2	Very low	32.2	Very low	238 Å²	238	139 Å²	139	90%	0.898	82%	0.819	S	S	*	*				177.5	155	120.9	-94.8	171	-164.4	-73.7	-2.2	110.9
480	Q	28.6	Very low	32.1	Very low	170 Å²	170	139.1 Å²	139.1	79%	0.794	82%	0.821	S	S	*	*			trans	-109	136.3	-171.7	-59.9	152.1	-37.7	0	0	110.7
481	S	30.1	Very low	32.1	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	83%	0.826	S	S	*	*			trans	59.2	169	147.9	60.2	0	0	0	0	119.4
482	P	36.3	Very low	32	Very low	120 Å²	120	137.7 Å²	137.7	78%	0.779	82%	0.816	S	S	*	*			cis	-116.9	168.7	-6.6	25.9	-4.9	0	0	0	114.8
483	C	28.2	Very low	32.3	Very low	115 Å²	115	138 Å²	138	78%	0.777	81%	0.807	S	S	*	*			trans	-87.9	172.3	170.6	-56.9	0	0	0	0	111.7
484	P	34.2	Very low	32.6	Very low	131 Å²	131	138.2 Å²	138.2	85%	0.851	80%	0.801	S	S	*	*				-121.7	155.2	121.8	35.7	-33.4	0	0	0	112.8
485	S	29.2	Very low	32.7	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	80%	0.804	S	S	*	*			trans	-89.5	174.5	175.7	-50.2	0	0	0	0	112.1
486	P	41.2	Very low	32.4	Very low	127 Å²	127	138.8 Å²	138.8	83%	0.825	80%	0.804	S	S	*	*				-123.4	159.5	123.8	36.2	-33	0	0	0	112.9
487	E	30.3	Very low	32.5	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	80%	0.803	S	S	*	*			trans	-83.4	168.6	176.8	-60.7	173.2	110.7	0	0	112.5
488	P	40.1	Very low	32.5	Very low	127 Å²	127	137.3 Å²	137.3	83%	0.825	81%	0.805	S	S	*	*				-120.6	158.4	127.5	36	-32.7	0	0	0	112.7
489	A	30.2	Very low	32.6	Very low	102 Å²	102	134.8 Å²	134.8	84%	0.843	81%	0.811	S	S	*	*			trans	-73.5	159.1	-168.3	0	0	0	0	0	115.2
490	A	30.7	Very low	32.6	Very low	95 Å²	95	127.8 Å²	127.8	79%	0.785	81%	0.812	S	S	*	*			trans	-81.5	159.8	177.4	0	0	0	0	0	113.7
491	N	32.4	Very low	32.5	Very low	174 Å²	174	123.2 Å²	123.2	93%	0.93	81%	0.811	S	S	*	*			trans	-149.5	157.5	141.8	-128	-12.3	0	0	0	109.9
492	D	29.7	Very low	32.9	Very low	140 Å²	140	124.4 Å²	124.4	75%	0.749	81%	0.814	S	S	*	*			trans	-129	157.9	-150	-170.3	12.6	0	0	0	114.6
493	S	33.7	Very low	32.7	Very low	84 Å²	84	124.2 Å²	124.2	59%	0.587	82%	0.816	S	S	*	*			trans	59.9	99	149.9	-81	0	0	0	0	122.1
494	S	36.2	Very low	33.3	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	82%	0.819	S	S	*	*				53	125.8	110.1	73.4	0	0	0	0	121.9
495	R	34.1	Very low	33.2	Very low	258 Å²	258	126.2 Å²	126.2	97%	0.974	82%	0.82	S	S	*	*			trans	-169.2	164	138.2	-102.7	158.2	-170.9	-161	1.4	109.1
496	G	28.4	Very low	33.6	Very low	74 Å²	74	125 Å²	125	76%	0.763	83%	0.825	S	S	*	*			trans	-160.8	-175.8	179.5	0	0	0	0	0	111.6
497	A	33.9	Very low	33.1	Very low	91 Å²	91	123.6 Å²	123.6	75%	0.752	82%	0.824	S	S	*	*			trans	163.5	136.1	160.2	0	0	0	0	0	110.1
498	E	35.2	Very low	33.2	Very low	192 Å²	192	122.7 Å²	122.7	90%	0.897	83%	0.825	S	S	*	*			trans	37.9	123	132.5	-53.7	-72.8	84.8	0	0	120.2
499	G	30	Very low	32.7	Very low	84 Å²	84	120.6 Å²	120.6	87%	0.866	83%	0.827	S	S	*	*			trans	160.6	97.3	161.6	0	0	0	0	0	114.7
500	G	30.9	Very low	32.8	Very low	90 Å²	90	120.6 Å²	120.6	93%	0.928	82%	0.82	S	S	*	*			trans	-84.3	149.5	174.4	0	0	0	0	0	113.2
501	G	27.9	Very low	33.2	Very low	75 Å²	75	121.7 Å²	121.7	77%	0.773	82%	0.82	S	S	*	*			trans	-151.8	119.2	174.1	0	0	0	0	0	111.9
502	T	37.5	Very low	33.7	Very low	139 Å²	139	118.2 Å²	118.2	85%	0.853	81%	0.809	S	S	*	*			trans	-92.7	123.7	179.9	-50.7	0	0	0	0	110.7
503	S	32.3	Very low	34.4	Very low	116 Å²	116	117 Å²	117	81%	0.811	81%	0.809	S	S	*	*			trans	-136.6	124.1	173.4	-61.3	0	0	0	0	109.9
504	L	40.6	Very low	35.2	Very low	163 Å²	163	118.5 Å²	118.5	85%	0.853	82%	0.817	S	S	*	*			trans	-81.8	137.8	166.1	-65.7	89.6	0	0	0	109.4
505	S	31.7	Very low	36.2	Very low	124 Å²	124	118 Å²	118	87%	0.867	81%	0.806	S	S	*	*			trans	-162.4	133.6	150.2	-79.2	0	0	0	0	108.5
506	G	38	Very low	37.5	Very low	83 Å²	83	112 Å²	112	86%	0.856	80%	0.8	S	S	*	*			trans	-82	147.8	170.4	0	0	0	0	0	111
507	A	31.4	Very low	39.5	Very low	98 Å²	98	113.5 Å²	113.5	81%	0.81	80%	0.795	S	S	*	*			trans	-148.3	151.2	168.1	0	0	0	0	0	108.7
508	D	33.1	Very low	41.8	Very low	162 Å²	162	113.5 Å²	113.5	87%	0.866	78%	0.775	S	S	*	*			trans	-62.4	140.7	-169.2	-65.5	-79.2	0	0	0	114.5	S510	D508-S510 PolarHBondContact O-N 3.17Å
509	G	29	Very low	44.2	Very low	84 Å²	84	111.4 Å²	111.4	87%	0.866	76%	0.759	S	S	*	*			trans	-73.5	63.9	-179.9	0	0	0	0	0	113.8
510	S	31.7	Very low	47	Very low	101 Å²	101	108 Å²	108	71%	0.706	72%	0.721	S	S	*	*			trans	-73.7	126.8	163.1	-175.3	0	0	0	0	109.4	D508 S512	D508-S510 PolarHBondContact O-N 3.17Å; S510-S512 PolarHBondContact O-N 2.78Å
511	P	40.3	Very low	49.8	Very low	119 Å²	119	106.4 Å²	106.4	77%	0.773	70%	0.695	S	S	*	*			trans	-71	100.5	179.4	28.6	-33.5	0	0	0	110.2
512	S	41.2	Very low	52.5	Low	100 Å²	100	108.5 Å²	108.5	70%	0.699	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-58.8	143.4	170.7	52.6	0	0	0	0	110.6	S510	S510-S512 PolarHBondContact O-N 2.78Å
513	P	45.8	Very low	55	Low	115 Å²	115	106.6 Å²	106.6	75%	0.747	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-60.3	140	174.4	26.5	-34.1	0	0	0	109.4	D515	P513-D515 PolarHBondContact O-N 3.45Å
514	P	50.2	Low	57.9	Low	116 Å²	116	101.3 Å²	101.3	75%	0.753	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-61.9	131.3	-176.9	25.5	-34.2	0	0	0	110.4
515	D	56.5	Low	60.5	Low	94 Å²	94	96 Å²	96	50%	0.503	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-55.2	125.7	175.9	-172.5	-48.4	0	0	0	109.5	P513 T517 W518	P513-D515 PolarHBondContact O-N 3.45Å; D515-T517 VanDerWaalsContact CG-OG1 3.32Å; D515-T517 PolarHBondContact O-N 3.43Å; D515-T517 VanDerWaalsContact OD1-CB 3.29Å; D515-T517 WeakPolarHBondContact OD1-CB 3.23Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.37Å; D515-T517 PolarHBondContact OD1-N 3.5Å; D515-T517 PolarHBondContact OD1-OG1 2.75Å; D515-W518 VanDerWaalsContact O-CB 3.31Å; D515-W518 WeakPolarHBondContact O-CB 3.41Å; D515-W518 PolarHBondContact O-N 2.94Å
516	P	61.2	Low	63.4	Low	132 Å²	132	94.4 Å²	94.4	86%	0.857	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-8.2	-177	27.6	-35.9	0	0	0	113.9
517	T	71.1	Confident	66.1	Low	106 Å²	106	91 Å²	91	65%	0.65	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-14.4	172.1	69.8	0	0	0	0	113.8	D515	D515-T517 VanDerWaalsContact CG-OG1 3.32Å; D515-T517 PolarHBondContact O-N 3.43Å; D515-T517 VanDerWaalsContact OD1-CB 3.29Å; D515-T517 WeakPolarHBondContact OD1-CB 3.23Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.37Å; D515-T517 PolarHBondContact OD1-N 3.5Å; D515-T517 PolarHBondContact OD1-OG1 2.75Å
518	W	82.3	Confident	69.1	Low	91 Å²	91	88.3 Å²	88.3	35%	0.345	55%	0.553	S	S	.	*			trans	-62.7	137.9	-175	-173.7	91.7	0	0	0	112.4	D515 P520 A534 F538	D515-W518 VanDerWaalsContact O-CB 3.31Å; D515-W518 WeakPolarHBondContact O-CB 3.41Å; D515-W518 PolarHBondContact O-N 2.94Å; W518-P520 HydrophobicContact CH2-CB 4.5Å; W518-P520 HydrophobicContact CH2-CG 3.98Å; W518-P520 HydrophobicContact CZ3-CG 3.84Å; W518-A534 HydrophobicContact CE3-CB 4.49Å; W518-A534 HydrophobicContact CH2-CB 3.46Å; W518-A534 VanDerWaalsContact CH2-CB 3.46Å; W518-A534 HydrophobicContact CZ2-CB 3.93Å; W518-A534 HydrophobicContact CZ3-CB 3.78Å; W518-F538 HydrophobicContact CZ3-CB 4.25Å
519	R	84.8	Confident	72	Confident	147 Å²	147	82.7 Å²	82.7	56%	0.555	52%	0.523	S	S	*	.			trans	-140.4	145.9	176	-60.6	-169	-177	-78.2	2.5	110.6	F538	R519-F538 HydrophobicContact CB-CE2 4.37Å; R519-F538 HydrophobicContact CB-CZ 4.48Å; R519-F538 HydrophobicContact CG-CE2 4.12Å; R519-F538 HydrophobicContact CG-CZ 4.37Å
520	P	90	Very high	75.1	Confident	12 Å²	12	84.7 Å²	84.7	8%	0.078	51%	0.51	C	S	.	.			trans	-55.5	133.7	173.2	-30.8	38.6	0	0	0	113	W518 C535 F538 F584	W518-P520 HydrophobicContact CH2-CB 4.5Å; W518-P520 HydrophobicContact CH2-CG 3.98Å; W518-P520 HydrophobicContact CZ3-CG 3.84Å; P520-C535 VanDerWaalsContact CB-SG 3.57Å; P520-C535 HydrophobicContact CG-CB 4.38Å; P520-F538 VanDerWaalsContact CD-CD1 3.46Å; P520-F538 VanDerWaalsContact CD-CG 3.46Å; P520-F538 HydrophobicContact CG-CB 3.92Å; P520-F538 HydrophobicContact CG-CD1 3.46Å; P520-F538 VanDerWaalsContact CG-CD1 3.46Å; P520-F538 HydrophobicContact CG-CD2 4.26Å; P520-F538 HydrophobicContact CG-CE1 3.96Å; P520-F538 HydrophobicContact CG-CG 3.63Å; P520-F584 HydrophobicContact CB-CE2 3.85Å; P520-F584 HydrophobicContact CB-CZ 3.71Å; P520-F584 HydrophobicContact CG-CE2 4.01Å; P520-F584 HydrophobicContact CG-CZ 4.03Å
521	P	89.1	Confident	78.2	Confident	58 Å²	58	83.3 Å²	83.3	38%	0.377	49%	0.492	S	S	.	.			trans	-55.7	162.8	169.2	-27.5	37.4	0	0	0	113.4	D523 L527 R589	P521-D523 WeakPolarHBondContact CB-O 3.5Å; P521-L527 HydrophobicContact CG-CD2 3.94Å; P521-R589 PolarHBondContact O-NH2 2.95Å
522	S	85.5	Confident	80.9	Confident	118 Å²	118	77.7 Å²	77.7	83%	0.825	46%	0.455	S	S	*	.	S	Bend	trans	-71.4	-46.3	178.1	-59.1	0	0	0	0	111.9	R589	S522-R589 PolarHBondContact O-NH2 3.38Å
523	D	89.7	Confident	83.5	Confident	100 Å²	100	73 Å²	73	54%	0.535	42%	0.423	S	S	.	.			trans	-81.7	135.2	169.1	-173.5	-2.4	0	0	0	109.1	P521 S525	P521-D523 WeakPolarHBondContact CB-O 3.5Å; D523-S525 VanDerWaalsContact CG-OG 3.29Å; D523-S525 WeakPolarHBondContact OD1-CB 3.23Å; D523-S525 PolarHBondContact OD1-N 3.1Å; D523-S525 PolarHBondContact OD1-OG 3.17Å; D523-S525 PolarHBondContact OD2-OG 3.23Å
524	L	93.8	Very high	85.8	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.026	40%	0.398	C	S	.	.			trans	-106.1	-10.6	178.8	-57.5	179.6	0	0	0	112.6	A526 L527 G556 L559 V560 F584 I585	L524-A526 VanDerWaalsContact C-N 3.32Å; L524-A526 PolarHBondContact O-N 3.07Å; L524-L527 HydrophobicContact CB-CD1 4.13Å; L524-L527 HydrophobicContact CD2-CD1 3.72Å; L524-L527 WeakPolarHBondContact O-CG 3.36Å; L524-L527 PolarHBondContact O-N 2.88Å; L524-G556 CarbonylContact O-C 3.49Å; L524-G556 VanDerWaalsContact O-C 3.31Å; L524-G556 WeakPolarHBondContact O-CA 3.34Å; L524-L559 HydrophobicContact CD1-CD2 4.42Å; L524-V560 HydrophobicContact CB-CG1 3.82Å; L524-F584 HydrophobicContact CD1-CD1 3.57Å; L524-F584 HydrophobicContact CD1-CE1 3.42Å; L524-F584 VanDerWaalsContact CD1-CE1 3.42Å; L524-F584 HydrophobicContact CD1-CG 4.43Å; L524-F584 HydrophobicContact CD1-CZ 4.19Å; L524-F584 HydrophobicContact CD2-CE1 3.59Å; L524-F584 HydrophobicContact CD2-CZ 3.63Å; L524-F584 HydrophobicContact CG-CE1 4.17Å; L524-I585 HydrophobicContact CD1-CG1 4.22Å
525	S	93.6	Very high	88	Confident	52 Å²	52	63.3 Å²	63.3	36%	0.364	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.6	-170.4	65.2	0	0	0	0	114.1	D523 G556 S557	D523-S525 VanDerWaalsContact CG-OG 3.29Å; D523-S525 WeakPolarHBondContact OD1-CB 3.23Å; D523-S525 PolarHBondContact OD1-N 3.1Å; D523-S525 PolarHBondContact OD1-OG 3.17Å; D523-S525 PolarHBondContact OD2-OG 3.23Å; S525-G556 CarbonylContact O-C 3.43Å; S525-S557 WeakPolarHBondContact O-CA 3.38Å; S525-S557 PolarHBondContact O-N 2.93Å; S525-S557 VanDerWaalsContact O-N 3.13Å
526	A	92.6	Very high	89.9	Confident	89 Å²	89	58.8 Å²	58.8	74%	0.736	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	7.9	-177.6	0	0	0	0	0	114.5	L524	L524-A526 VanDerWaalsContact C-N 3.32Å; L524-A526 PolarHBondContact O-N 3.07Å
527	L	94.4	Very high	91.5	Very high	11 Å²	11	57.6 Å²	57.6	6%	0.058	32%	0.316	C	S	.	.			trans	-79.5	140	-175.1	-59.7	178.7	0	0	0	113	P521 L524 E531 V532 G556	P521-L527 HydrophobicContact CG-CD2 3.94Å; L524-L527 HydrophobicContact CB-CD1 4.13Å; L524-L527 HydrophobicContact CD2-CD1 3.72Å; L524-L527 WeakPolarHBondContact O-CG 3.36Å; L524-L527 PolarHBondContact O-N 2.88Å; L527-E531 HydrophobicContact CB-CB 4.05Å; L527-E531 HydrophobicContact CD2-CB 4.09Å; L527-V532 HydrophobicContact CB-CG2 3.96Å; L527-V532 HydrophobicContact CD1-CG2 4.41Å; L527-G556 PolarHBondContact O-N 2.89Å
528	S	95.1	Very high	92.6	Very high	43 Å²	43	54.3 Å²	54.3	30%	0.301	29%	0.293	S	S	.	.			trans	-66.7	167.1	165.1	60.8	0	0	0	0	112.9	E530 E531 V532	S528-E530 VanDerWaalsContact C-N 3.26Å; S528-E530 PolarHBondContact O-N 2.91Å; S528-E531 WeakPolarHBondContact CB-OE2 3.45Å; S528-E531 PolarHBondContact N-OE2 2.8Å; S528-E531 PolarHBondContact O-N 3.46Å; S528-E531 WeakPolarHBondContact OG-CB 3.47Å; S528-E531 VanDerWaalsContact OG-CD 3.3Å; S528-E531 WeakPolarHBondContact OG-CG 3.45Å; S528-E531 PolarHBondContact OG-N 2.81Å; S528-E531 PolarHBondContact OG-OE2 2.82Å; S528-V532 WeakPolarHBondContact O-CG2 3.34Å; S528-V532 PolarHBondContact O-N 2.87Å
529	L	94.4	Very high	93.1	Very high	43 Å²	43	50.1 Å²	50.1	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-36.5	176.4	-179.7	160	0	0	0	111.6	S533 Q550 R553	L529-S533 WeakPolarHBondContact O-CB 3.42Å; L529-S533 PolarHBondContact O-N 2.78Å; L529-S533 PolarHBondContact O-OG 2.84Å; L529-Q550 HydrophobicContact CD2-CB 4.24Å; L529-Q550 HydrophobicContact CD2-CG 3.91Å; L529-R553 HydrophobicContact CD1-CB 4.05Å; L529-R553 HydrophobicContact CD1-CG 4.07Å
530	E	94.9	Very high	93.5	Very high	127 Å²	127	44.9 Å²	44.9	59%	0.593	27%	0.269	S	S	*	.	H	α-helix	trans	-67.4	-44	176.1	-65.1	68.2	-152.6	0	0	111	S528 S533 A534	S528-E530 VanDerWaalsContact C-N 3.26Å; S528-E530 PolarHBondContact O-N 2.91Å; E530-S533 VanDerWaalsContact O-CB 3.31Å; E530-S533 WeakPolarHBondContact O-CB 3.36Å; E530-S533 PolarHBondContact O-N 3.48Å; E530-A534 PolarHBondContact O-N 3.34Å
531	E	95	Very high	93.8	Very high	72 Å²	72	44.9 Å²	44.9	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-70.6	-38.4	176	-71.8	167.2	116.4	0	0	112.6	L527 S528 S533 A534 C535	L527-E531 HydrophobicContact CB-CB 4.05Å; L527-E531 HydrophobicContact CD2-CB 4.09Å; S528-E531 WeakPolarHBondContact CB-OE2 3.45Å; S528-E531 PolarHBondContact N-OE2 2.8Å; S528-E531 PolarHBondContact O-N 3.46Å; S528-E531 WeakPolarHBondContact OG-CB 3.47Å; S528-E531 VanDerWaalsContact OG-CD 3.3Å; S528-E531 WeakPolarHBondContact OG-CG 3.45Å; S528-E531 PolarHBondContact OG-N 2.81Å; S528-E531 PolarHBondContact OG-OE2 2.82Å; E531-S533 VanDerWaalsContact C-N 3.26Å; E531-S533 PolarHBondContact O-N 3.42Å; E531-A534 PolarHBondContact O-N 2.86Å; E531-C535 WeakPolarHBondContact O-CB 3.27Å; E531-C535 PolarHBondContact O-N 2.74Å; E531-C535 PolarHBondContact O-SG 3.05Å
532	V	97	Very high	94	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-43.4	168.8	166.1	0	0	0	0	110	L527 S528 A534 C535 L536 L559	L527-V532 HydrophobicContact CB-CG2 3.96Å; L527-V532 HydrophobicContact CD1-CG2 4.41Å; S528-V532 WeakPolarHBondContact O-CG2 3.34Å; S528-V532 PolarHBondContact O-N 2.87Å; V532-A534 PolarHBondContact O-N 2.89Å; V532-C535 WeakPolarHBondContact O-CB 3.23Å; V532-C535 PolarHBondContact O-N 3.33Å; V532-L536 HydrophobicContact CG1-CD1 3.99Å; V532-L536 HydrophobicContact CG1-CG 4.34Å; V532-L536 VanDerWaalsContact O-CG 3.31Å; V532-L536 WeakPolarHBondContact O-CG 3.13Å; V532-L536 PolarHBondContact O-N 3.45Å; V532-L559 HydrophobicContact CG1-CD2 4.13Å; V532-L559 HydrophobicContact CG2-CD2 4.06Å
533	S	96.3	Very high	94.5	Very high	2 Å²	2	42 Å²	42	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-44.1	175.7	-59.1	0	0	0	0	112.1	L529 E530 E531 L536 R537 Q550	L529-S533 WeakPolarHBondContact O-CB 3.42Å; L529-S533 PolarHBondContact O-N 2.78Å; L529-S533 PolarHBondContact O-OG 2.84Å; E530-S533 VanDerWaalsContact O-CB 3.31Å; E530-S533 WeakPolarHBondContact O-CB 3.36Å; E530-S533 PolarHBondContact O-N 3.48Å; E531-S533 VanDerWaalsContact C-N 3.26Å; E531-S533 PolarHBondContact O-N 3.42Å; S533-L536 PolarHBondContact O-N 2.61Å; S533-R537 WeakPolarHBondContact O-CG 3.22Å; S533-R537 PolarHBondContact O-N 2.87Å; S533-R537 VanDerWaalsContact O-N 3.09Å; S533-Q550 VanDerWaalsContact OG-CG 3.23Å; S533-Q550 WeakPolarHBondContact OG-CG 3.31Å; S533-Q550 PolarHBondContact OG-NE2 2.99Å
534	A	95.1	Very high	94.6	Very high	27 Å²	27	41.2 Å²	41.2	22%	0.223	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-40.4	174.4	0	0	0	0	0	112.5	W518 E530 E531 V532 R537 F538	W518-A534 HydrophobicContact CE3-CB 4.49Å; W518-A534 HydrophobicContact CH2-CB 3.46Å; W518-A534 VanDerWaalsContact CH2-CB 3.46Å; W518-A534 HydrophobicContact CZ2-CB 3.93Å; W518-A534 HydrophobicContact CZ3-CB 3.78Å; E530-A534 PolarHBondContact O-N 3.34Å; E531-A534 PolarHBondContact O-N 2.86Å; V532-A534 PolarHBondContact O-N 2.89Å; A534-R537 PolarHBondContact O-N 3.25Å; A534-F538 WeakPolarHBondContact O-CB 3.41Å; A534-F538 PolarHBondContact O-N 2.87Å
535	C	95.3	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.8	-75.7	0	0	0	0	112.7	P520 E531 V532 F538 I539 F584	P520-C535 VanDerWaalsContact CB-SG 3.57Å; P520-C535 HydrophobicContact CG-CB 4.38Å; E531-C535 WeakPolarHBondContact O-CB 3.27Å; E531-C535 PolarHBondContact O-N 2.74Å; E531-C535 PolarHBondContact O-SG 3.05Å; V532-C535 WeakPolarHBondContact O-CB 3.23Å; V532-C535 PolarHBondContact O-N 3.33Å; C535-F538 WeakPolarHBondContact O-CB 3.34Å; C535-F538 PolarHBondContact O-N 3.26Å; C535-I539 PolarHBondContact O-N 2.67Å; C535-F584 HydrophobicContact CB-CE1 3.8Å; C535-F584 HydrophobicContact CB-CZ 3.63Å
536	L	96	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-36.8	178.9	-66.3	175.1	0	0	0	112	V532 S533 I539 G540 L541 V546 F549 I581	V532-L536 HydrophobicContact CG1-CD1 3.99Å; V532-L536 HydrophobicContact CG1-CG 4.34Å; V532-L536 VanDerWaalsContact O-CG 3.31Å; V532-L536 WeakPolarHBondContact O-CG 3.13Å; V532-L536 PolarHBondContact O-N 3.45Å; S533-L536 PolarHBondContact O-N 2.61Å; L536-I539 HydrophobicContact CD2-CD1 4.19Å; L536-I539 WeakPolarHBondContact O-CG1 3.31Å; L536-G540 PolarHBondContact O-N 3.21Å; L536-L541 HydrophobicContact CD2-CD2 4.41Å; L536-L541 PolarHBondContact O-N 3.33Å; L536-V546 HydrophobicContact CB-CG2 3.98Å; L536-F549 HydrophobicContact CD1-CB 3.79Å; L536-F549 HydrophobicContact CD1-CD1 3.77Å; L536-F549 HydrophobicContact CD1-CD2 3.54Å; L536-F549 HydrophobicContact CD1-CE1 4.26Å; L536-F549 HydrophobicContact CD1-CE2 4.08Å; L536-F549 HydrophobicContact CD1-CG 3.4Å; L536-F549 HydrophobicContact CD1-CZ 4.43Å; L536-I581 HydrophobicContact CD2-CD1 4.32Å; L536-I581 HydrophobicContact CD2-CG1 3.95Å
537	R	94.9	Very high	94.9	Very high	106 Å²	106	36.2 Å²	36.2	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-65.5	-43.7	170.6	-67.4	175.5	-164.9	124.6	-6.1	111.7	S533 A534 I539 G540 E543 V546	S533-R537 WeakPolarHBondContact O-CG 3.22Å; S533-R537 PolarHBondContact O-N 2.87Å; S533-R537 VanDerWaalsContact O-N 3.09Å; A534-R537 PolarHBondContact O-N 3.25Å; R537-I539 PolarHBondContact O-N 3.38Å; R537-G540 WeakPolarHBondContact O-CA 3.21Å; R537-G540 PolarHBondContact O-N 3.15Å; R537-E543 WeakPolarHBondContact CD-OE2 3.22Å; R537-E543 IonicContact CZ-OE1 2.73Å; R537-E543 VanDerWaalsContact CZ-OE1 3.27Å; R537-E543 IonicContact CZ-OE2 2.71Å; R537-E543 IonicContact NE-OE1 2.74Å; R537-E543 PolarHBondContact NE-OE1 3.2Å; R537-E543 IonicContact NE-OE2 2.79Å; R537-E543 PolarHBondContact NE-OE2 2.84Å; R537-E543 IonicContact NH2-OE1 4Å; R537-E543 PolarHBondContact NH2-OE1 2.93Å; R537-E543 IonicContact NH2-OE2 3.07Å; R537-V546 HydrophobicContact CG-CG2 4.01Å
538	F	93.9	Very high	94.9	Very high	38 Å²	38	36.9 Å²	36.9	17%	0.167	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-40.5	178	179.7	-88.5	0	0	0	112.9	W518 R519 P520 A534 C535 G540 P590 I592	W518-F538 HydrophobicContact CZ3-CB 4.25Å; R519-F538 HydrophobicContact CB-CE2 4.37Å; R519-F538 HydrophobicContact CB-CZ 4.48Å; R519-F538 HydrophobicContact CG-CE2 4.12Å; R519-F538 HydrophobicContact CG-CZ 4.37Å; P520-F538 VanDerWaalsContact CD-CD1 3.46Å; P520-F538 VanDerWaalsContact CD-CG 3.46Å; P520-F538 HydrophobicContact CG-CB 3.92Å; P520-F538 HydrophobicContact CG-CD1 3.46Å; P520-F538 VanDerWaalsContact CG-CD1 3.46Å; P520-F538 HydrophobicContact CG-CD2 4.26Å; P520-F538 HydrophobicContact CG-CE1 3.96Å; P520-F538 HydrophobicContact CG-CG 3.63Å; A534-F538 WeakPolarHBondContact O-CB 3.41Å; A534-F538 PolarHBondContact O-N 2.87Å; C535-F538 WeakPolarHBondContact O-CB 3.34Å; C535-F538 PolarHBondContact O-N 3.26Å; F538-G540 PolarHBondContact O-N 2.74Å; F538-P590 HydrophobicContact CE1-CG 4.43Å; F538-I592 HydrophobicContact CD2-CD1 4.09Å; F538-I592 HydrophobicContact CE1-CD1 4.36Å; F538-I592 HydrophobicContact CE2-CD1 3.49Å; F538-I592 VanDerWaalsContact CE2-CD1 3.49Å; F538-I592 HydrophobicContact CZ-CD1 3.65Å
539	I	94.1	Very high	94.9	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.2	172.7	67	177.7	0	0	0	113.8	C535 L536 R537 L541 K580 I581 F584 W588 P590	C535-I539 PolarHBondContact O-N 2.67Å; L536-I539 HydrophobicContact CD2-CD1 4.19Å; L536-I539 WeakPolarHBondContact O-CG1 3.31Å; R537-I539 PolarHBondContact O-N 3.38Å; I539-L541 HydrophobicContact CD1-CD1 3.81Å; I539-L541 HydrophobicContact CG1-CD1 3.74Å; I539-K580 HydrophobicContact CD1-CB 4.38Å; I539-K580 WeakPolarHBondContact O-CD 3.18Å; I539-K580 WeakPolarHBondContact O-CE 3.17Å; I539-K580 PolarHBondContact O-NZ 3.38Å; I539-I581 HydrophobicContact CD1-CG1 4.29Å; I539-F584 HydrophobicContact CD1-CB 3.99Å; I539-F584 HydrophobicContact CD1-CD1 4.26Å; I539-F584 HydrophobicContact CD1-CG 4.05Å; I539-F584 HydrophobicContact CG2-CB 4.24Å; I539-F584 HydrophobicContact CG2-CD2 3.29Å; I539-F584 HydrophobicContact CG2-CE2 3.66Å; I539-F584 HydrophobicContact CG2-CG 3.81Å; I539-F584 HydrophobicContact CG2-CZ 4.45Å; I539-W588 HydrophobicContact CG2-CZ3 4.47Å; I539-P590 HydrophobicContact CB-CG 4.36Å; I539-P590 HydrophobicContact CG2-CG 4.15Å
540	G	93.3	Very high	95	Very high	36 Å²	36	35.9 Å²	35.9	37%	0.371	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	52.8	176.3	0	0	0	0	0	113.4	L536 R537 F538 K580	L536-G540 PolarHBondContact O-N 3.21Å; R537-G540 WeakPolarHBondContact O-CA 3.21Å; R537-G540 PolarHBondContact O-N 3.15Å; F538-G540 PolarHBondContact O-N 2.74Å; G540-K580 PolarHBondContact O-NZ 3.25Å
541	L	95.6	Very high	95	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.068	21%	0.205	C	C	.	.			trans	-83.8	152.6	154.1	-90.7	74.9	0	0	0	110.1	L536 I539 A545 V546 H577 K580 I581	L536-L541 HydrophobicContact CD2-CD2 4.41Å; L536-L541 PolarHBondContact O-N 3.33Å; I539-L541 HydrophobicContact CD1-CD1 3.81Å; I539-L541 HydrophobicContact CG1-CD1 3.74Å; L541-A545 HydrophobicContact CB-CB 4.49Å; L541-A545 HydrophobicContact CD2-CB 4.02Å; L541-V546 HydrophobicContact CB-CG2 4.47Å; L541-H577 HydrophobicContact CD2-CB 4.29Å; L541-H577 HydrophobicContact CG-CB 4.29Å; L541-K580 HydrophobicContact CD1-CB 4.34Å; L541-K580 HydrophobicContact CD1-CD 4.16Å; L541-I581 HydrophobicContact CD1-CG1 4.36Å; L541-I581 HydrophobicContact CD2-CD1 3.8Å; L541-I581 HydrophobicContact CD2-CG1 4.26Å
542	P	93.9	Very high	95	Very high	26 Å²	26	39.3 Å²	39.3	17%	0.169	21%	0.212	C	C	.	.			trans	-73.6	151.2	173.1	32.7	-35	0	0	0	110.5	A544 A545 V546 H577	P542-A544 PolarHBondContact O-N 2.84Å; P542-A545 HydrophobicContact CG-CB 4.01Å; P542-A545 WeakPolarHBondContact O-CB 3.31Å; P542-A545 PolarHBondContact O-N 3.42Å; P542-V546 PolarHBondContact O-N 3.43Å; P542-H577 WeakPolarHBondContact CD-NE2 3.41Å; P542-H577 WeakPolarHBondContact CG-CE1 3.41Å
543	E	95.1	Very high	95	Very high	89 Å²	89	48.6 Å²	48.6	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-57.3	-35.5	-177.5	-160.1	61.2	-155.5	0	0	112.9	R537 A545 V546 A547	R537-E543 WeakPolarHBondContact CD-OE2 3.22Å; R537-E543 IonicContact CZ-OE1 2.73Å; R537-E543 VanDerWaalsContact CZ-OE1 3.27Å; R537-E543 IonicContact CZ-OE2 2.71Å; R537-E543 IonicContact NE-OE1 2.74Å; R537-E543 PolarHBondContact NE-OE1 3.2Å; R537-E543 IonicContact NE-OE2 2.79Å; R537-E543 PolarHBondContact NE-OE2 2.84Å; R537-E543 IonicContact NH2-OE1 4Å; R537-E543 PolarHBondContact NH2-OE1 2.93Å; R537-E543 IonicContact NH2-OE2 3.07Å; E543-A545 PolarHBondContact O-N 3.23Å; E543-A545 VanDerWaalsContact O-N 3.15Å; E543-V546 WeakPolarHBondContact O-CB 3.33Å; E543-V546 PolarHBondContact O-N 2.81Å; E543-A547 WeakPolarHBondContact O-CB 2.99Å; E543-A547 PolarHBondContact O-N 2.92Å
544	A	92.8	Very high	95	Very high	83 Å²	83	48.9 Å²	48.9	69%	0.686	25%	0.248	S	C	*	.	H	α-helix	trans	-59.4	-24.2	174.2	0	0	0	0	0	114.3	P542	P542-A544 PolarHBondContact O-N 2.84Å
545	A	93.9	Very high	95.1	Very high	8 Å²	8	50.6 Å²	50.6	7%	0.066	25%	0.253	C	S	.	.	H	α-helix	trans	-85.4	-40.5	171	0	0	0	0	0	111.4	L541 P542 E543 A547 V548 F549 L573	L541-A545 HydrophobicContact CB-CB 4.49Å; L541-A545 HydrophobicContact CD2-CB 4.02Å; P542-A545 HydrophobicContact CG-CB 4.01Å; P542-A545 WeakPolarHBondContact O-CB 3.31Å; P542-A545 PolarHBondContact O-N 3.42Å; E543-A545 PolarHBondContact O-N 3.23Å; E543-A545 VanDerWaalsContact O-N 3.15Å; A545-A547 VanDerWaalsContact C-N 3.25Å; A545-A547 PolarHBondContact O-N 3.46Å; A545-V548 WeakPolarHBondContact O-CB 3.36Å; A545-V548 PolarHBondContact O-N 3.09Å; A545-F549 WeakPolarHBondContact O-CD2 3.32Å; A545-L573 HydrophobicContact CB-CD2 3.96Å
546	V	96.7	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.6	-40.3	175.6	-175.3	0	0	0	0	111	L536 R537 L541 P542 E543 V548 F549 Q550	L536-V546 HydrophobicContact CB-CG2 3.98Å; R537-V546 HydrophobicContact CG-CG2 4.01Å; L541-V546 HydrophobicContact CB-CG2 4.47Å; P542-V546 PolarHBondContact O-N 3.43Å; E543-V546 WeakPolarHBondContact O-CB 3.33Å; E543-V546 PolarHBondContact O-N 2.81Å; V546-V548 PolarHBondContact O-N 3.22Å; V546-V548 VanDerWaalsContact O-N 3.16Å; V546-F549 PolarHBondContact O-N 2.87Å; V546-Q550 PolarHBondContact O-N 3.38Å; V546-Q550 VanDerWaalsContact O-N 3.08Å
547	A	94.3	Very high	95.1	Very high	34 Å²	34	53 Å²	53	28%	0.281	27%	0.27	S	S	.	.	H	α-helix	trans	-66.7	-7.5	175	0	0	0	0	0	114.9	E543 A545 R551	E543-A547 WeakPolarHBondContact O-CB 2.99Å; E543-A547 PolarHBondContact O-N 2.92Å; A545-A547 VanDerWaalsContact C-N 3.25Å; A545-A547 PolarHBondContact O-N 3.46Å; A547-R551 WeakPolarHBondContact O-CB 3.39Å
548	V	95.1	Very high	95.2	Very high	24 Å²	24	51 Å²	51	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-82	-47.9	166.1	-173.6	0	0	0	0	109.5	A545 V546 Q550 R551 E552 F571	A545-V548 WeakPolarHBondContact O-CB 3.36Å; A545-V548 PolarHBondContact O-N 3.09Å; V546-V548 PolarHBondContact O-N 3.22Å; V546-V548 VanDerWaalsContact O-N 3.16Å; V548-Q550 VanDerWaalsContact C-N 3.29Å; V548-Q550 PolarHBondContact O-N 3.03Å; V548-R551 WeakPolarHBondContact O-CB 3.48Å; V548-R551 PolarHBondContact O-N 3.1Å; V548-R551 VanDerWaalsContact O-N 3.09Å; V548-E552 HydrophobicContact CG1-CG 4.23Å; V548-E552 WeakPolarHBondContact O-CG 3.39Å; V548-E552 PolarHBondContact O-N 2.88Å; V548-F571 HydrophobicContact CB-CD1 4.34Å; V548-F571 HydrophobicContact CG1-CD1 3.53Å; V548-F571 HydrophobicContact CG1-CE1 4.03Å; V548-F571 HydrophobicContact CG1-CG 4.29Å
549	F	96.3	Very high	95.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-37.6	178.3	-70.4	-101.7	0	0	0	112.3	L536 A545 V546 R553 I554 L559 L562 L567 F571 L573 I581	L536-F549 HydrophobicContact CD1-CB 3.79Å; L536-F549 HydrophobicContact CD1-CD1 3.77Å; L536-F549 HydrophobicContact CD1-CD2 3.54Å; L536-F549 HydrophobicContact CD1-CE1 4.26Å; L536-F549 HydrophobicContact CD1-CE2 4.08Å; L536-F549 HydrophobicContact CD1-CG 3.4Å; L536-F549 HydrophobicContact CD1-CZ 4.43Å; A545-F549 WeakPolarHBondContact O-CD2 3.32Å; V546-F549 PolarHBondContact O-N 2.87Å; F549-R553 PolarHBondContact O-N 3.07Å; F549-R553 VanDerWaalsContact O-N 3.14Å; F549-I554 HydrophobicContact CB-CB 4.21Å; F549-I554 HydrophobicContact CB-CG1 4.32Å; F549-I554 HydrophobicContact CD1-CB 3.84Å; F549-I554 HydrophobicContact CD1-CG1 3.95Å; F549-I554 HydrophobicContact CD1-CG2 3.87Å; F549-I554 HydrophobicContact CE1-CG2 4.47Å; F549-I554 HydrophobicContact CG-CB 4.48Å; F549-I554 HydrophobicContact CG-CG1 4.45Å; F549-I554 PolarHBondContact O-N 3.03Å; F549-L559 HydrophobicContact CD1-CD1 4.29Å; F549-L559 HydrophobicContact CE1-CD1 3.92Å; F549-L562 HydrophobicContact CD1-CD1 4.42Å; F549-L562 HydrophobicContact CE1-CD1 3.7Å; F549-L567 HydrophobicContact CE1-CD2 4.14Å; F549-L567 HydrophobicContact CZ-CD2 3.73Å; F549-F571 HydrophobicContact CD1-CE1 4.24Å; F549-F571 HydrophobicContact CD2-CD1 4.36Å; F549-F571 HydrophobicContact CD2-CE1 4.48Å; F549-F571 HydrophobicContact CE1-CD1 4.4Å; F549-F571 HydrophobicContact CE1-CE1 4.18Å; F549-F571 HydrophobicContact CE2-CD1 4.01Å; F549-F571 HydrophobicContact CE2-CE1 4.42Å; F549-F571 HydrophobicContact CG-CE1 4.36Å; F549-F571 HydrophobicContact CZ-CD1 4Å; F549-F571 HydrophobicContact CZ-CE1 4.24Å; F549-L573 HydrophobicContact CE2-CD1 3.9Å; F549-L573 HydrophobicContact CZ-CD1 3.93Å; F549-I581 HydrophobicContact CE2-CD1 4.18Å; F549-I581 HydrophobicContact CZ-CD1 3.66Å
550	Q	95.3	Very high	95.4	Very high	63 Å²	63	51.8 Å²	51.8	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-41.3	173.6	-68.7	169.1	-6.5	0	0	112.7	L529 S533 V546 V548 R553	L529-Q550 HydrophobicContact CD2-CB 4.24Å; L529-Q550 HydrophobicContact CD2-CG 3.91Å; S533-Q550 VanDerWaalsContact OG-CG 3.23Å; S533-Q550 WeakPolarHBondContact OG-CG 3.31Å; S533-Q550 PolarHBondContact OG-NE2 2.99Å; V546-Q550 PolarHBondContact O-N 3.38Å; V546-Q550 VanDerWaalsContact O-N 3.08Å; V548-Q550 VanDerWaalsContact C-N 3.29Å; V548-Q550 PolarHBondContact O-N 3.03Å; Q550-R553 PolarHBondContact O-N 3.38Å
551	R	95.4	Very high	95.4	Very high	168 Å²	168	56.4 Å²	56.4	63%	0.634	29%	0.287	S	S	*	.	H	α-helix	trans	-68.6	-47	-177.9	-173.2	-166.2	-42.4	162.5	10.7	112	A547 V548 R553	A547-R551 WeakPolarHBondContact O-CB 3.39Å; V548-R551 WeakPolarHBondContact O-CB 3.48Å; V548-R551 PolarHBondContact O-N 3.1Å; V548-R551 VanDerWaalsContact O-N 3.09Å; R551-R553 PolarHBondContact O-N 2.9Å
552	E	95.7	Very high	95.4	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5.2	175.7	-51.2	-45	131.3	0	0	112.5	V548 I554 F571	V548-E552 HydrophobicContact CG1-CG 4.23Å; V548-E552 WeakPolarHBondContact O-CG 3.39Å; V548-E552 PolarHBondContact O-N 2.88Å; E552-I554 HydrophobicContact CB-CD1 3.88Å; E552-I554 HydrophobicContact CB-CG1 4.09Å; E552-I554 WeakPolarHBondContact O-CD1 2.82Å; E552-I554 PolarHBondContact O-N 3.03Å; E552-F571 HydrophobicContact CB-CE1 4.41Å; E552-F571 HydrophobicContact CB-CZ 4.32Å; E552-F571 HydrophobicContact CG-CE1 4.31Å; E552-F571 HydrophobicContact CG-CZ 4.37Å
553	R	95.3	Very high	95.5	Very high	195 Å²	195	58.7 Å²	58.7	74%	0.736	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	46.8	177.8	-63.3	-175.6	172.2	-169.8	-3.7	114.4	L529 F549 Q550 R551 D555	L529-R553 HydrophobicContact CD1-CB 4.05Å; L529-R553 HydrophobicContact CD1-CG 4.07Å; F549-R553 PolarHBondContact O-N 3.07Å; F549-R553 VanDerWaalsContact O-N 3.14Å; Q550-R553 PolarHBondContact O-N 3.38Å; R551-R553 PolarHBondContact O-N 2.9Å; R553-D555 PolarHBondContact O-N 3.35Å; R553-D555 VanDerWaalsContact O-N 3.12Å
554	I	97	Very high	95.4	Very high	7 Å²	7	59 Å²	59	4%	0.036	30%	0.301	C	S	.	.			trans	-76.9	99.6	179.6	-48.5	-54	0	0	0	110	F549 E552 L558 L559 L562 F571	F549-I554 HydrophobicContact CB-CB 4.21Å; F549-I554 HydrophobicContact CB-CG1 4.32Å; F549-I554 HydrophobicContact CD1-CB 3.84Å; F549-I554 HydrophobicContact CD1-CG1 3.95Å; F549-I554 HydrophobicContact CD1-CG2 3.87Å; F549-I554 HydrophobicContact CE1-CG2 4.47Å; F549-I554 HydrophobicContact CG-CB 4.48Å; F549-I554 HydrophobicContact CG-CG1 4.45Å; F549-I554 PolarHBondContact O-N 3.03Å; E552-I554 HydrophobicContact CB-CD1 3.88Å; E552-I554 HydrophobicContact CB-CG1 4.09Å; E552-I554 WeakPolarHBondContact O-CD1 2.82Å; E552-I554 PolarHBondContact O-N 3.03Å; I554-L558 HydrophobicContact CD1-CD2 3.47Å; I554-L558 VanDerWaalsContact CD1-CD2 3.47Å; I554-L558 HydrophobicContact CD1-CG 3.98Å; I554-L558 HydrophobicContact CG2-CB 4.25Å; I554-L558 HydrophobicContact CG2-CG 4.25Å; I554-L559 HydrophobicContact CG2-CB 4.03Å; I554-L562 HydrophobicContact CG2-CD1 3.99Å; I554-F571 HydrophobicContact CD1-CE1 4.35Å; I554-F571 HydrophobicContact CD1-CZ 3.8Å; I554-F571 HydrophobicContact CG1-CE1 3.91Å; I554-F571 HydrophobicContact CG1-CZ 3.87Å
555	D	96.3	Very high	95.5	Very high	64 Å²	64	60.1 Å²	60.1	34%	0.342	30%	0.296	S	S	.	.			trans	-76.2	177.3	165.6	70.6	34.7	0	0	0	112.1	R553 S557 L558 L559	R553-D555 PolarHBondContact O-N 3.35Å; R553-D555 VanDerWaalsContact O-N 3.12Å; D555-S557 VanDerWaalsContact C-N 3.3Å; D555-S557 PolarHBondContact O-N 3Å; D555-S557 WeakPolarHBondContact OD1-CA 3.24Å; D555-S557 VanDerWaalsContact OD1-CB 3.3Å; D555-S557 WeakPolarHBondContact OD1-CB 3.47Å; D555-S557 PolarHBondContact OD1-N 3.1Å; D555-S557 PolarHBondContact OD1-OG 3.24Å; D555-L558 PolarHBondContact O-N 3.16Å; D555-L558 PolarHBondContact OD1-N 2.98Å; D555-L559 VanDerWaalsContact O-CB 3.29Å; D555-L559 WeakPolarHBondContact O-CB 3.39Å; D555-L559 PolarHBondContact O-N 3.28Å
556	G	95.9	Very high	95.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-34.4	179.9	0	0	0	0	0	114.5	L524 S525 L527 V560	L524-G556 CarbonylContact O-C 3.49Å; L524-G556 VanDerWaalsContact O-C 3.31Å; L524-G556 WeakPolarHBondContact O-CA 3.34Å; S525-G556 CarbonylContact O-C 3.43Å; L527-G556 PolarHBondContact O-N 2.89Å; G556-V560 PolarHBondContact O-N 3.01Å
557	S	96.3	Very high	95.5	Very high	50 Å²	50	62.4 Å²	62.4	35%	0.35	31%	0.307	S	S	.	.	H	α-helix	trans	-70.9	-35.5	-178.9	83.3	0	0	0	0	111.7	S525 D555 V560 Q561	S525-S557 WeakPolarHBondContact O-CA 3.38Å; S525-S557 PolarHBondContact O-N 2.93Å; S525-S557 VanDerWaalsContact O-N 3.13Å; D555-S557 VanDerWaalsContact C-N 3.3Å; D555-S557 PolarHBondContact O-N 3Å; D555-S557 WeakPolarHBondContact OD1-CA 3.24Å; D555-S557 VanDerWaalsContact OD1-CB 3.3Å; D555-S557 WeakPolarHBondContact OD1-CB 3.47Å; D555-S557 PolarHBondContact OD1-N 3.1Å; D555-S557 PolarHBondContact OD1-OG 3.24Å; S557-V560 WeakPolarHBondContact O-CG2 3.42Å; S557-Q561 WeakPolarHBondContact O-CG 3.4Å; S557-Q561 PolarHBondContact O-NE2 3.44Å
558	L	96.2	Very high	95.4	Very high	65 Å²	65	62.6 Å²	62.6	34%	0.34	31%	0.306	S	S	.	.	H	α-helix	trans	-80.8	-37.5	175.3	-175.2	51.9	0	0	0	111.3	I554 D555 V560 Q561 L562	I554-L558 HydrophobicContact CD1-CD2 3.47Å; I554-L558 VanDerWaalsContact CD1-CD2 3.47Å; I554-L558 HydrophobicContact CD1-CG 3.98Å; I554-L558 HydrophobicContact CG2-CB 4.25Å; I554-L558 HydrophobicContact CG2-CG 4.25Å; D555-L558 PolarHBondContact O-N 3.16Å; D555-L558 PolarHBondContact OD1-N 2.98Å; L558-V560 VanDerWaalsContact C-N 3.3Å; L558-V560 PolarHBondContact O-N 2.79Å; L558-Q561 WeakPolarHBondContact O-CB 3.35Å; L558-Q561 PolarHBondContact O-N 3.28Å; L558-L562 PolarHBondContact O-N 2.89Å
559	L	96.3	Very high	95.3	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-53.2	-44.9	176.9	178.2	65.6	0	0	0	112.3	L524 V532 F549 I554 D555 Q561 L562 I581 I585	L524-L559 HydrophobicContact CD1-CD2 4.42Å; V532-L559 HydrophobicContact CG1-CD2 4.13Å; V532-L559 HydrophobicContact CG2-CD2 4.06Å; F549-L559 HydrophobicContact CD1-CD1 4.29Å; F549-L559 HydrophobicContact CE1-CD1 3.92Å; I554-L559 HydrophobicContact CG2-CB 4.03Å; D555-L559 VanDerWaalsContact O-CB 3.29Å; D555-L559 WeakPolarHBondContact O-CB 3.39Å; D555-L559 PolarHBondContact O-N 3.28Å; L559-Q561 PolarHBondContact O-N 2.79Å; L559-L562 HydrophobicContact CD1-CD1 4.42Å; L559-L562 PolarHBondContact O-N 3.35Å; L559-I581 HydrophobicContact CD1-CG2 4.17Å; L559-I585 HydrophobicContact CG-CD1 4.49Å; L559-I585 VanDerWaalsContact O-CD1 3.23Å; L559-I585 WeakPolarHBondContact O-CD1 3.43Å
560	V	95.9	Very high	95	Very high	57 Å²	57	72.5 Å²	72.5	35%	0.345	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.6	179.8	-61.3	0	0	0	0	114	L524 G556 S557 L558 I585	L524-V560 HydrophobicContact CB-CG1 3.82Å; G556-V560 PolarHBondContact O-N 3.01Å; S557-V560 WeakPolarHBondContact O-CG2 3.42Å; L558-V560 VanDerWaalsContact C-N 3.3Å; L558-V560 PolarHBondContact O-N 2.79Å; V560-I585 HydrophobicContact CB-CG2 4.35Å; V560-I585 HydrophobicContact CG1-CG2 4.31Å
561	Q	95.2	Very high	94.9	Very high	133 Å²	133	70.7 Å²	70.7	62%	0.621	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-12.9	176.1	-63	175	54.7	0	0	113.1	S557 L558 L559 T563	S557-Q561 WeakPolarHBondContact O-CG 3.4Å; S557-Q561 PolarHBondContact O-NE2 3.44Å; L558-Q561 WeakPolarHBondContact O-CB 3.35Å; L558-Q561 PolarHBondContact O-N 3.28Å; L559-Q561 PolarHBondContact O-N 2.79Å; Q561-T563 PolarHBondContact O-N 2.85Å
562	L	95.3	Very high	94.7	Very high	20 Å²	20	70.3 Å²	70.3	11%	0.105	35%	0.35	C	S	.	.			trans	-70.9	125.5	-176.9	-62.8	-179.1	0	0	0	112.3	F549 I554 L558 L559 I566 L567 F571	F549-L562 HydrophobicContact CD1-CD1 4.42Å; F549-L562 HydrophobicContact CE1-CD1 3.7Å; I554-L562 HydrophobicContact CG2-CD1 3.99Å; L558-L562 PolarHBondContact O-N 2.89Å; L559-L562 HydrophobicContact CD1-CD1 4.42Å; L559-L562 PolarHBondContact O-N 3.35Å; L562-I566 HydrophobicContact CD2-CG2 3.9Å; L562-L567 HydrophobicContact CB-CD1 4.29Å; L562-L567 HydrophobicContact CB-CD2 4.06Å; L562-L567 HydrophobicContact CB-CG 4.01Å; L562-L567 HydrophobicContact CD1-CD2 3.79Å; L562-F571 HydrophobicContact CD1-CZ 4.26Å; L562-F571 HydrophobicContact CD2-CE2 4.34Å; L562-F571 HydrophobicContact CD2-CZ 4.5Å
563	T	94.7	Very high	94.6	Very high	66 Å²	66	66.2 Å²	66.2	41%	0.405	33%	0.331	S	S	.	.			trans	-86.6	163.4	178.7	65	0	0	0	0	112.4	Q561 D565 I566 L567	Q561-T563 PolarHBondContact O-N 2.85Å; T563-D565 PolarHBondContact O-N 2.96Å; T563-I566 HydrophobicContact CG2-CD1 4.48Å; T563-I566 PolarHBondContact O-N 2.87Å; T563-I566 WeakPolarHBondContact OG1-CG1 3.31Å; T563-I566 PolarHBondContact OG1-N 3.31Å; T563-L567 WeakPolarHBondContact O-CB 3.42Å; T563-L567 WeakPolarHBondContact O-CD1 3.22Å; T563-L567 VanDerWaalsContact O-CG 3.23Å; T563-L567 WeakPolarHBondContact O-CG 3.44Å; T563-L567 PolarHBondContact O-N 3.23Å
564	E	94.2	Very high	94.6	Very high	95 Å²	95	59.2 Å²	59.2	44%	0.444	31%	0.313	S	S	.	.	H	α-helix	trans	-56.9	-33.8	171.3	172.2	159.1	-157.9	0	0	111.6	S568 V578	E564-S568 VanDerWaalsContact O-CB 3.28Å; E564-S568 WeakPolarHBondContact O-CB 3.49Å; E564-S568 PolarHBondContact O-N 3.46Å; E564-S568 PolarHBondContact O-OG 3.04Å; E564-V578 HydrophobicContact CB-CG1 4.06Å; E564-V578 HydrophobicContact CG-CG1 3.8Å
565	D	93.8	Very high	94.5	Very high	107 Å²	107	68.2 Å²	68.2	57%	0.572	35%	0.346	S	S	*	.	H	α-helix	trans	-66.6	-50.5	176.9	-63.1	-55.4	0	0	0	112.4	T563 L567 S568 H569	T563-D565 PolarHBondContact O-N 2.96Å; D565-L567 PolarHBondContact O-N 2.77Å; D565-S568 PolarHBondContact O-N 2.92Å; D565-S568 PolarHBondContact O-OG 3.16Å; D565-S568 VanDerWaalsContact O-OG 3.11Å; D565-H569 WeakPolarHBondContact O-CB 3.43Å; D565-H569 PolarHBondContact O-N 2.81Å; D565-H569 PolarHBondContact O-ND1 3.31Å; D565-H569 IonicContact OD1-CE1 3.82Å
566	I	94.8	Very high	94.5	Very high	57 Å²	57	70.2 Å²	70.2	29%	0.292	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-45.8	178.9	-65.9	164.6	0	0	0	110.3	L562 T563 S568 D570 F571	L562-I566 HydrophobicContact CD2-CG2 3.9Å; T563-I566 HydrophobicContact CG2-CD1 4.48Å; T563-I566 PolarHBondContact O-N 2.87Å; T563-I566 WeakPolarHBondContact OG1-CG1 3.31Å; T563-I566 PolarHBondContact OG1-N 3.31Å; I566-S568 PolarHBondContact O-N 2.87Å; I566-D570 WeakPolarHBondContact CA-OD2 3.47Å; I566-D570 HydrophobicContact CG2-CB 4.33Å; I566-D570 WeakPolarHBondContact O-CB 3.46Å; I566-D570 PolarHBondContact O-N 2.84Å; I566-F571 HydrophobicContact CG2-CD2 3.79Å; I566-F571 HydrophobicContact CG2-CE2 3.65Å; I566-F571 PolarHBondContact O-N 3.26Å; I566-F571 VanDerWaalsContact O-N 3.12Å
567	L	96	Very high	94.5	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-28.3	179.6	-69.7	170.6	0	0	0	113.1	F549 L562 T563 D565 L573 V578 I581	F549-L567 HydrophobicContact CE1-CD2 4.14Å; F549-L567 HydrophobicContact CZ-CD2 3.73Å; L562-L567 HydrophobicContact CB-CD1 4.29Å; L562-L567 HydrophobicContact CB-CD2 4.06Å; L562-L567 HydrophobicContact CB-CG 4.01Å; L562-L567 HydrophobicContact CD1-CD2 3.79Å; T563-L567 WeakPolarHBondContact O-CB 3.42Å; T563-L567 WeakPolarHBondContact O-CD1 3.22Å; T563-L567 VanDerWaalsContact O-CG 3.23Å; T563-L567 WeakPolarHBondContact O-CG 3.44Å; T563-L567 PolarHBondContact O-N 3.23Å; D565-L567 PolarHBondContact O-N 2.77Å; L567-L573 HydrophobicContact CB-CD1 4.39Å; L567-L573 HydrophobicContact CD2-CD1 4Å; L567-L573 WeakPolarHBondContact O-CB 3.43Å; L567-L573 VanDerWaalsContact O-CG 3.3Å; L567-L573 WeakPolarHBondContact O-CG 3.49Å; L567-L573 PolarHBondContact O-N 3.06Å; L567-L573 VanDerWaalsContact O-N 3.13Å; L567-V578 HydrophobicContact CB-CB 4.36Å; L567-V578 HydrophobicContact CB-CG1 3.7Å; L567-V578 HydrophobicContact CB-CG2 3.98Å; L567-V578 HydrophobicContact CD1-CG1 4.07Å; L567-I581 HydrophobicContact CD1-CB 4.2Å; L567-I581 HydrophobicContact CD1-CG2 3.78Å; L567-I581 HydrophobicContact CD2-CD1 4.1Å; L567-I581 HydrophobicContact CD2-CG2 4.35Å
568	S	93.4	Very high	94.5	Very high	38 Å²	38	69.1 Å²	69.1	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-95.4	-37.8	-179.7	56.4	0	0	0	0	114.1	E564 D565 I566 H572	E564-S568 VanDerWaalsContact O-CB 3.28Å; E564-S568 WeakPolarHBondContact O-CB 3.49Å; E564-S568 PolarHBondContact O-N 3.46Å; E564-S568 PolarHBondContact O-OG 3.04Å; D565-S568 PolarHBondContact O-N 2.92Å; D565-S568 PolarHBondContact O-OG 3.16Å; D565-S568 VanDerWaalsContact O-OG 3.11Å; I566-S568 PolarHBondContact O-N 2.87Å; S568-H572 WeakPolarHBondContact O-CA 3.39Å
569	H	91.1	Very high	94.5	Very high	120 Å²	120	68.5 Å²	68.5	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-91.3	-45.3	-175.4	-63.7	85.6	0	0	0	112.7	D565 H572	D565-H569 WeakPolarHBondContact O-CB 3.43Å; D565-H569 PolarHBondContact O-N 2.81Å; D565-H569 PolarHBondContact O-ND1 3.31Å; D565-H569 IonicContact OD1-CE1 3.82Å; H569-H572 PolarHBondContact O-CE1 2.87Å; H569-H572 PolarHBondContact O-ND1 3.4Å
570	D	90.8	Very high	94.5	Very high	113 Å²	113	70.9 Å²	70.9	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-43.5	-174	-52.7	-45.1	0	0	0	111.3	I566 H572	I566-D570 WeakPolarHBondContact CA-OD2 3.47Å; I566-D570 HydrophobicContact CG2-CB 4.33Å; I566-D570 WeakPolarHBondContact O-CB 3.46Å; I566-D570 PolarHBondContact O-N 2.84Å; D570-H572 VanDerWaalsContact C-N 3.29Å; D570-H572 PolarHBondContact O-N 3.11Å
571	F	93.1	Very high	94.5	Very high	25 Å²	25	68.1 Å²	68.1	11%	0.11	34%	0.338	C	S	.	.	S	Bend	trans	-84.2	-3.1	176.5	-70.4	-112.9	0	0	0	113	V548 F549 E552 I554 L562 I566 L573	V548-F571 HydrophobicContact CB-CD1 4.34Å; V548-F571 HydrophobicContact CG1-CD1 3.53Å; V548-F571 HydrophobicContact CG1-CE1 4.03Å; V548-F571 HydrophobicContact CG1-CG 4.29Å; F549-F571 HydrophobicContact CD1-CE1 4.24Å; F549-F571 HydrophobicContact CD2-CD1 4.36Å; F549-F571 HydrophobicContact CD2-CE1 4.48Å; F549-F571 HydrophobicContact CE1-CD1 4.4Å; F549-F571 HydrophobicContact CE1-CE1 4.18Å; F549-F571 HydrophobicContact CE2-CD1 4.01Å; F549-F571 HydrophobicContact CE2-CE1 4.42Å; F549-F571 HydrophobicContact CG-CE1 4.36Å; F549-F571 HydrophobicContact CZ-CD1 4Å; F549-F571 HydrophobicContact CZ-CE1 4.24Å; E552-F571 HydrophobicContact CB-CE1 4.41Å; E552-F571 HydrophobicContact CB-CZ 4.32Å; E552-F571 HydrophobicContact CG-CE1 4.31Å; E552-F571 HydrophobicContact CG-CZ 4.37Å; I554-F571 HydrophobicContact CD1-CE1 4.35Å; I554-F571 HydrophobicContact CD1-CZ 3.8Å; I554-F571 HydrophobicContact CG1-CE1 3.91Å; I554-F571 HydrophobicContact CG1-CZ 3.87Å; L562-F571 HydrophobicContact CD1-CZ 4.26Å; L562-F571 HydrophobicContact CD2-CE2 4.34Å; L562-F571 HydrophobicContact CD2-CZ 4.5Å; I566-F571 HydrophobicContact CG2-CD2 3.79Å; I566-F571 HydrophobicContact CG2-CE2 3.65Å; I566-F571 PolarHBondContact O-N 3.26Å; I566-F571 VanDerWaalsContact O-N 3.12Å; F571-L573 HydrophobicContact CB-CD1 4.12Å; F571-L573 HydrophobicContact CB-CD2 4.43Å; F571-L573 HydrophobicContact CB-CG 3.8Å; F571-L573 PolarHBondContact O-N 3.3Å
572	H	92.5	Very high	94.5	Very high	161 Å²	161	63.5 Å²	63.5	75%	0.745	32%	0.319	S	S	*	.			trans	50.1	27	-179.6	-61.3	-29.9	0	0	0	115.1	S568 H569 D570	S568-H572 WeakPolarHBondContact O-CA 3.39Å; H569-H572 PolarHBondContact O-CE1 2.87Å; H569-H572 PolarHBondContact O-ND1 3.4Å; D570-H572 VanDerWaalsContact C-N 3.29Å; D570-H572 PolarHBondContact O-N 3.11Å
573	L	93.6	Very high	94.5	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.089	33%	0.332	C	S	.	.			trans	-74.4	143.1	-173.1	-55.9	175.3	0	0	0	111.4	A545 F549 L567 F571 R575 H577 V578 I581	A545-L573 HydrophobicContact CB-CD2 3.96Å; F549-L573 HydrophobicContact CE2-CD1 3.9Å; F549-L573 HydrophobicContact CZ-CD1 3.93Å; L567-L573 HydrophobicContact CB-CD1 4.39Å; L567-L573 HydrophobicContact CD2-CD1 4Å; L567-L573 WeakPolarHBondContact O-CB 3.43Å; L567-L573 VanDerWaalsContact O-CG 3.3Å; L567-L573 WeakPolarHBondContact O-CG 3.49Å; L567-L573 PolarHBondContact O-N 3.06Å; L567-L573 VanDerWaalsContact O-N 3.13Å; F571-L573 HydrophobicContact CB-CD1 4.12Å; F571-L573 HydrophobicContact CB-CD2 4.43Å; F571-L573 HydrophobicContact CB-CG 3.8Å; F571-L573 PolarHBondContact O-N 3.3Å; L573-R575 PolarHBondContact O-N 2.85Å; L573-H577 HydrophobicContact CB-CB 4.21Å; L573-V578 HydrophobicContact CB-CG2 3.79Å; L573-I581 HydrophobicContact CD1-CD1 3.61Å
574	S	94.8	Very high	94.5	Very high	49 Å²	49	63.3 Å²	63.3	34%	0.343	31%	0.313	S	S	.	.			trans	-61.6	142.3	173.4	78.2	0	0	0	0	110.5	L576 H577 V578	S574-L576 PolarHBondContact O-N 3.12Å; S574-H577 WeakPolarHBondContact O-CA 3.48Å; S574-H577 WeakPolarHBondContact O-CB 3.45Å; S574-H577 PolarHBondContact O-N 2.93Å; S574-H577 PolarHBondContact OG-ND1 2.97Å; S574-V578 PolarHBondContact O-N 2.92Å; S574-V578 VanDerWaalsContact O-N 3.1Å
575	R	94.6	Very high	94.6	Very high	196 Å²	196	61.1 Å²	61.1	74%	0.74	30%	0.304	S	S	*	.	H	α-helix	trans	-46.2	-37.7	-177	-169	177.9	-174.2	-173.3	1.8	114.2	L573 V578 T579	L573-R575 PolarHBondContact O-N 2.85Å; R575-V578 PolarHBondContact O-N 3.43Å; R575-T579 PolarHBondContact O-N 3.28Å; R575-T579 PolarHBondContact O-OG1 3.27Å
576	L	95.1	Very high	94.5	Very high	106 Å²	106	63.1 Å²	63.1	56%	0.555	31%	0.31	S	S	*	.	H	α-helix	trans	-68.8	-31.1	177.3	-178.4	142.9	0	0	0	113.6	S574 K580	S574-L576 PolarHBondContact O-N 3.12Å; L576-K580 HydrophobicContact CD2-CD 4.43Å; L576-K580 WeakPolarHBondContact O-CB 3.44Å; L576-K580 WeakPolarHBondContact O-CG 3.39Å; L576-K580 PolarHBondContact O-N 3.27Å; L576-K580 VanDerWaalsContact O-N 3.16Å
577	H	95.9	Very high	94.4	Very high	27 Å²	27	62.6 Å²	62.6	13%	0.125	32%	0.318	C	S	.	.	H	α-helix	trans	-73.3	-40.6	171.3	-60.6	148.1	0	0	0	111.4	K47 L541 P542 L573 S574 K580 I581	K47-H577 PolarHBondContact NZ-NE2 3.45Å; L541-H577 HydrophobicContact CD2-CB 4.29Å; L541-H577 HydrophobicContact CG-CB 4.29Å; P542-H577 WeakPolarHBondContact CD-NE2 3.41Å; P542-H577 WeakPolarHBondContact CG-CE1 3.41Å; L573-H577 HydrophobicContact CB-CB 4.21Å; S574-H577 WeakPolarHBondContact O-CA 3.48Å; S574-H577 WeakPolarHBondContact O-CB 3.45Å; S574-H577 PolarHBondContact O-N 2.93Å; S574-H577 PolarHBondContact OG-ND1 2.97Å; H577-K580 WeakPolarHBondContact O-CB 3.37Å; H577-K580 PolarHBondContact O-N 2.69Å; H577-I581 WeakPolarHBondContact O-CG1 3.49Å; H577-I581 PolarHBondContact O-N 3.33Å
578	V	97.2	Very high	94.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-53.4	174.1	-174.4	0	0	0	0	110.4	E564 L567 L573 S574 R575 K580 I581 T582	E564-V578 HydrophobicContact CB-CG1 4.06Å; E564-V578 HydrophobicContact CG-CG1 3.8Å; L567-V578 HydrophobicContact CB-CB 4.36Å; L567-V578 HydrophobicContact CB-CG1 3.7Å; L567-V578 HydrophobicContact CB-CG2 3.98Å; L567-V578 HydrophobicContact CD1-CG1 4.07Å; L573-V578 HydrophobicContact CB-CG2 3.79Å; S574-V578 PolarHBondContact O-N 2.92Å; S574-V578 VanDerWaalsContact O-N 3.1Å; R575-V578 PolarHBondContact O-N 3.43Å; V578-K580 VanDerWaalsContact C-N 3.27Å; V578-K580 PolarHBondContact O-N 3.24Å; V578-I581 PolarHBondContact O-N 3.01Å; V578-T582 PolarHBondContact O-N 3.41Å; V578-T582 PolarHBondContact O-OG1 3.44Å; V578-T582 VanDerWaalsContact O-OG1 3.1Å
579	T	96.3	Very high	94.1	Very high	52 Å²	52	68.5 Å²	68.5	32%	0.319	34%	0.335	S	S	.	.	H	α-helix	trans	-55.9	-39.6	176.3	-54.8	0	0	0	0	112.4	R575 Q583	R575-T579 PolarHBondContact O-N 3.28Å; R575-T579 PolarHBondContact O-OG1 3.27Å; T579-Q583 HydrophobicContact CG2-CG 4.28Å; T579-Q583 VanDerWaalsContact O-CB 3.27Å; T579-Q583 WeakPolarHBondContact O-CB 3.46Å; T579-Q583 VanDerWaalsContact O-CG 3.24Å; T579-Q583 WeakPolarHBondContact O-CG 3.27Å; T579-Q583 PolarHBondContact O-N 3.26Å
580	K	96	Very high	94	Very high	49 Å²	49	64.2 Å²	64.2	21%	0.213	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-46.9	174.1	-86.3	-175	174.3	-159.1	0	112.3	I539 G540 L541 L576 H577 V578 F584	I539-K580 HydrophobicContact CD1-CB 4.38Å; I539-K580 WeakPolarHBondContact O-CD 3.18Å; I539-K580 WeakPolarHBondContact O-CE 3.17Å; I539-K580 PolarHBondContact O-NZ 3.38Å; G540-K580 PolarHBondContact O-NZ 3.25Å; L541-K580 HydrophobicContact CD1-CB 4.34Å; L541-K580 HydrophobicContact CD1-CD 4.16Å; L576-K580 HydrophobicContact CD2-CD 4.43Å; L576-K580 WeakPolarHBondContact O-CB 3.44Å; L576-K580 WeakPolarHBondContact O-CG 3.39Å; L576-K580 PolarHBondContact O-N 3.27Å; L576-K580 VanDerWaalsContact O-N 3.16Å; H577-K580 WeakPolarHBondContact O-CB 3.37Å; H577-K580 PolarHBondContact O-N 2.69Å; V578-K580 VanDerWaalsContact C-N 3.27Å; V578-K580 PolarHBondContact O-N 3.24Å; K580-F584 WeakPolarHBondContact O-CB 3.31Å; K580-F584 PolarHBondContact O-N 2.63Å
581	I	96.4	Very high	93.4	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.6	-49.9	-179.3	-67.6	161.8	0	0	0	110.2	L536 I539 L541 F549 L559 L567 L573 H577 V578 Q583 F584 I585	L536-I581 HydrophobicContact CD2-CD1 4.32Å; L536-I581 HydrophobicContact CD2-CG1 3.95Å; I539-I581 HydrophobicContact CD1-CG1 4.29Å; L541-I581 HydrophobicContact CD1-CG1 4.36Å; L541-I581 HydrophobicContact CD2-CD1 3.8Å; L541-I581 HydrophobicContact CD2-CG1 4.26Å; F549-I581 HydrophobicContact CE2-CD1 4.18Å; F549-I581 HydrophobicContact CZ-CD1 3.66Å; L559-I581 HydrophobicContact CD1-CG2 4.17Å; L567-I581 HydrophobicContact CD1-CB 4.2Å; L567-I581 HydrophobicContact CD1-CG2 3.78Å; L567-I581 HydrophobicContact CD2-CD1 4.1Å; L567-I581 HydrophobicContact CD2-CG2 4.35Å; L573-I581 HydrophobicContact CD1-CD1 3.61Å; H577-I581 WeakPolarHBondContact O-CG1 3.49Å; H577-I581 PolarHBondContact O-N 3.33Å; V578-I581 PolarHBondContact O-N 3.01Å; I581-Q583 VanDerWaalsContact C-N 3.32Å; I581-Q583 PolarHBondContact O-N 2.94Å; I581-F584 WeakPolarHBondContact O-CB 3.36Å; I581-F584 PolarHBondContact O-N 2.78Å; I581-F584 VanDerWaalsContact O-N 3.07Å; I581-I585 HydrophobicContact CG2-CD1 3.73Å; I581-I585 HydrophobicContact CG2-CG1 4.42Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.46Å
582	T	96	Very high	92	Very high	36 Å²	36	76 Å²	76	22%	0.221	37%	0.37	C	S	.	.	H	α-helix	trans	-59.2	-42.2	179.4	-50.7	0	0	0	0	111.7	V578 Q586	V578-T582 PolarHBondContact O-N 3.41Å; V578-T582 PolarHBondContact O-OG1 3.44Å; V578-T582 VanDerWaalsContact O-OG1 3.1Å; T582-Q586 VanDerWaalsContact O-CG 3.24Å; T582-Q586 WeakPolarHBondContact O-CG 3.44Å; T582-Q586 PolarHBondContact O-N 3.36Å; T582-Q586 VanDerWaalsContact O-N 3.1Å
583	Q	94.5	Very high	92	Very high	82 Å²	82	71.8 Å²	71.8	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-37.8	174.7	-72.8	179	-11.5	0	0	112.4	T579 I581 Q586 G587 W588	T579-Q583 HydrophobicContact CG2-CG 4.28Å; T579-Q583 VanDerWaalsContact O-CB 3.27Å; T579-Q583 WeakPolarHBondContact O-CB 3.46Å; T579-Q583 VanDerWaalsContact O-CG 3.24Å; T579-Q583 WeakPolarHBondContact O-CG 3.27Å; T579-Q583 PolarHBondContact O-N 3.26Å; I581-Q583 VanDerWaalsContact C-N 3.32Å; I581-Q583 PolarHBondContact O-N 2.94Å; Q583-Q586 CarbonylContact O-C 3.3Å; Q583-Q586 VanDerWaalsContact O-C 3.3Å; Q583-Q586 WeakPolarHBondContact O-CA 3.45Å; Q583-Q586 WeakPolarHBondContact O-CB 3.29Å; Q583-Q586 PolarHBondContact O-N 3.28Å; Q583-Q586 VanDerWaalsContact O-N 3.12Å; Q583-G587 PolarHBondContact O-N 2.92Å; Q583-W588 HydrophobicContact CB-CB 3.91Å; Q583-W588 HydrophobicContact CB-CD2 4.47Å; Q583-W588 HydrophobicContact CB-CE3 4.42Å; Q583-W588 HydrophobicContact CB-CG 4.29Å; Q583-W588 WeakPolarHBondContact O-CB 3.24Å; Q583-W588 PolarHBondContact O-N 2.97Å
584	F	95.6	Very high	91.9	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-39.6	177.1	176.8	-106	0	0	0	112.5	P520 L524 C535 I539 K580 I581 Q586 G587 W588 R589	P520-F584 HydrophobicContact CB-CE2 3.85Å; P520-F584 HydrophobicContact CB-CZ 3.71Å; P520-F584 HydrophobicContact CG-CE2 4.01Å; P520-F584 HydrophobicContact CG-CZ 4.03Å; L524-F584 HydrophobicContact CD1-CD1 3.57Å; L524-F584 HydrophobicContact CD1-CE1 3.42Å; L524-F584 VanDerWaalsContact CD1-CE1 3.42Å; L524-F584 HydrophobicContact CD1-CG 4.43Å; L524-F584 HydrophobicContact CD1-CZ 4.19Å; L524-F584 HydrophobicContact CD2-CE1 3.59Å; L524-F584 HydrophobicContact CD2-CZ 3.63Å; L524-F584 HydrophobicContact CG-CE1 4.17Å; C535-F584 HydrophobicContact CB-CE1 3.8Å; C535-F584 HydrophobicContact CB-CZ 3.63Å; I539-F584 HydrophobicContact CD1-CB 3.99Å; I539-F584 HydrophobicContact CD1-CD1 4.26Å; I539-F584 HydrophobicContact CD1-CG 4.05Å; I539-F584 HydrophobicContact CG2-CB 4.24Å; I539-F584 HydrophobicContact CG2-CD2 3.29Å; I539-F584 HydrophobicContact CG2-CE2 3.66Å; I539-F584 HydrophobicContact CG2-CG 3.81Å; I539-F584 HydrophobicContact CG2-CZ 4.45Å; K580-F584 WeakPolarHBondContact O-CB 3.31Å; K580-F584 PolarHBondContact O-N 2.63Å; I581-F584 WeakPolarHBondContact O-CB 3.36Å; I581-F584 PolarHBondContact O-N 2.78Å; I581-F584 VanDerWaalsContact O-N 3.07Å; F584-Q586 VanDerWaalsContact C-N 3.27Å; F584-Q586 PolarHBondContact O-N 2.61Å; F584-G587 PolarHBondContact O-N 2.82Å; F584-W588 WeakPolarHBondContact CD2-O 3.12Å; F584-R589 VanDerWaalsContact CD2-NH1 3.3Å; F584-R589 PolarHBondContact O-NH1 3.12Å
585	I	94.9	Very high	91.8	Very high	49 Å²	49	76.1 Å²	76.1	25%	0.251	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-38.3	169.8	-65.6	162.5	0	0	0	110.5	L524 L559 V560 I581 G587	L524-I585 HydrophobicContact CD1-CG1 4.22Å; L559-I585 HydrophobicContact CG-CD1 4.49Å; L559-I585 VanDerWaalsContact O-CD1 3.23Å; L559-I585 WeakPolarHBondContact O-CD1 3.43Å; V560-I585 HydrophobicContact CB-CG2 4.35Å; V560-I585 HydrophobicContact CG1-CG2 4.31Å; I581-I585 HydrophobicContact CG2-CD1 3.73Å; I581-I585 HydrophobicContact CG2-CG1 4.42Å; I581-I585 WeakPolarHBondContact O-CG1 3.48Å; I581-I585 PolarHBondContact O-N 3.46Å; I585-G587 PolarHBondContact O-N 3.06Å; I585-G587 VanDerWaalsContact O-N 3.11Å
586	Q	93	Very high	91.6	Very high	148 Å²	148	69 Å²	69	69%	0.692	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	16.6	173	-65.3	166.1	-0	0	0	114.2	T582 Q583 F584 W588	T582-Q586 VanDerWaalsContact O-CG 3.24Å; T582-Q586 WeakPolarHBondContact O-CG 3.44Å; T582-Q586 PolarHBondContact O-N 3.36Å; T582-Q586 VanDerWaalsContact O-N 3.1Å; Q583-Q586 CarbonylContact O-C 3.3Å; Q583-Q586 VanDerWaalsContact O-C 3.3Å; Q583-Q586 WeakPolarHBondContact O-CA 3.45Å; Q583-Q586 WeakPolarHBondContact O-CB 3.29Å; Q583-Q586 PolarHBondContact O-N 3.28Å; Q583-Q586 VanDerWaalsContact O-N 3.12Å; F584-Q586 VanDerWaalsContact C-N 3.27Å; F584-Q586 PolarHBondContact O-N 2.61Å; Q586-W588 PolarHBondContact O-N 3.09Å
587	G	91.3	Very high	91.4	Very high	46 Å²	46	66.7 Å²	66.7	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	1.7	174.7	0	0	0	0	0	115.9	Q583 F584 I585	Q583-G587 PolarHBondContact O-N 2.92Å; F584-G587 PolarHBondContact O-N 2.82Å; I585-G587 PolarHBondContact O-N 3.06Å; I585-G587 VanDerWaalsContact O-N 3.11Å
588	W	93.5	Very high	91.1	Very high	105 Å²	105	69.3 Å²	69.3	40%	0.398	35%	0.345	S	S	.	.			trans	-64.8	141.8	171.8	177.5	82.1	0	0	0	110.8	I539 Q583 F584 Q586 P590	I539-W588 HydrophobicContact CG2-CZ3 4.47Å; Q583-W588 HydrophobicContact CB-CB 3.91Å; Q583-W588 HydrophobicContact CB-CD2 4.47Å; Q583-W588 HydrophobicContact CB-CE3 4.42Å; Q583-W588 HydrophobicContact CB-CG 4.29Å; Q583-W588 WeakPolarHBondContact O-CB 3.24Å; Q583-W588 PolarHBondContact O-N 2.97Å; F584-W588 WeakPolarHBondContact CD2-O 3.12Å; Q586-W588 PolarHBondContact O-N 3.09Å; W588-P590 HydrophobicContact CH2-CB 4.26Å; W588-P590 HydrophobicContact CH2-CG 3.71Å; W588-P590 HydrophobicContact CZ2-CG 4.4Å; W588-P590 HydrophobicContact CZ3-CG 3.89Å
589	R	91.1	Very high	90.7	Very high	58 Å²	58	74.3 Å²	74.3	22%	0.219	37%	0.369	C	S	.	.			trans	-135.7	137	174.5	-59.2	-68.3	178.7	-91.7	5.7	108.7	P521 S522 F584	P521-R589 PolarHBondContact O-NH2 2.95Å; S522-R589 PolarHBondContact O-NH2 3.38Å; F584-R589 VanDerWaalsContact CD2-NH1 3.3Å; F584-R589 PolarHBondContact O-NH1 3.12Å
590	P	87.1	Confident	90.2	Very high	30 Å²	30	76 Å²	76	20%	0.195	37%	0.373	C	S	.	.			trans	-55.5	144.1	170.9	-21.3	27.8	0	0	0	112	F538 I539 W588 I592	F538-P590 HydrophobicContact CE1-CG 4.43Å; I539-P590 HydrophobicContact CB-CG 4.36Å; I539-P590 HydrophobicContact CG2-CG 4.15Å; W588-P590 HydrophobicContact CH2-CB 4.26Å; W588-P590 HydrophobicContact CH2-CG 3.71Å; W588-P590 HydrophobicContact CZ2-CG 4.4Å; W588-P590 HydrophobicContact CZ3-CG 3.89Å; P590-I592 HydrophobicContact CB-CG1 4.36Å
591	K	79.6	Confident	89.8	Confident	217 Å²	217	78.3 Å²	78.3	94%	0.943	39%	0.386	S	S	*	.			trans	-85.4	123.8	160.9	-63.2	-175.9	179.4	-175.6	0	107.3
592	I	64.1	Low	89.2	Confident	168 Å²	168	85.4 Å²	85.4	86%	0.862	42%	0.422	S	S	*	.			trans	-113.1	0	-179	-55.9	178.2	0	0	0	106.8	F538 P590	F538-I592 HydrophobicContact CD2-CD1 4.09Å; F538-I592 HydrophobicContact CE1-CD1 4.36Å; F538-I592 HydrophobicContact CE2-CD1 3.49Å; F538-I592 VanDerWaalsContact CE2-CD1 3.49Å; F538-I592 HydrophobicContact CZ-CD1 3.65Å; P590-I592 HydrophobicContact CB-CG1 4.36Å

Retrieved 592 of 592 residues in 129.8 ms (Link to these results)

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