A0A096NXV9_PAPAN Loading...

Krueppel-like factor 7

AlphaFold DB (O75840), UniProt , Accession A0A096NXV9, Species PAPAN (Papio anubis, Olive baboon), Gene KLF7, Length 302 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	48.1	Very low	147 Å²	147	59.5 Å²	59.5	72%	0.724	32%	0.32	S	S	*	.				0	171.4	0	-61.5	-171.5	-148.7	0	0	109.4	I9 E38	M1-I9 HydrophobicContact SD-CD1 4.3Å; M1-E38 PolarHBondContact N-OE1 3.21Å
2	D	49.1	Very low	48.2	Very low	106 Å²	106	62.3 Å²	62.3	57%	0.567	33%	0.33	S	S	*	.			trans	-62.2	137.2	168.2	-163.4	-19.3	0	0	0	108.7	L4 A5 S6	D2-L4 PolarHBondContact O-N 3.14Å; D2-A5 HydrophobicContact CB-CB 4.14Å; D2-A5 WeakPolarHBondContact O-CA 3.35Å; D2-A5 WeakPolarHBondContact O-CB 3.31Å; D2-A5 PolarHBondContact O-N 2.89Å; D2-S6 PolarHBondContact O-N 3.3Å
3	V	45.5	Very low	48.4	Very low	39 Å²	39	58.5 Å²	58.5	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-55.9	-38.3	-178.3	-171	0	0	0	0	110.4	A5 S6 Y7 Y42	V3-A5 VanDerWaalsContact C-N 3.3Å; V3-A5 PolarHBondContact O-N 3.42Å; V3-S6 PolarHBondContact O-N 3.15Å; V3-Y7 WeakPolarHBondContact O-CB 3.46Å; V3-Y7 PolarHBondContact O-N 3.48Å; V3-Y42 HydrophobicContact CB-CD1 4.48Å; V3-Y42 HydrophobicContact CB-CE1 4.08Å; V3-Y42 HydrophobicContact CG1-CD1 3.93Å; V3-Y42 HydrophobicContact CG1-CE1 3.77Å; V3-Y42 HydrophobicContact CG2-CD1 3.79Å; V3-Y42 HydrophobicContact CG2-CD2 4.22Å; V3-Y42 HydrophobicContact CG2-CE1 3.11Å; V3-Y42 HydrophobicContact CG2-CE2 3.63Å; V3-Y42 HydrophobicContact CG2-CG 4.3Å; V3-Y42 WeakPolarHBondContact CG2-OH 3.26Å
4	L	45.7	Very low	49	Very low	105 Å²	105	56 Å²	56	55%	0.55	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-36.6	177.6	-63.1	174.4	0	0	0	111.4	D2 S8 I88	D2-L4 PolarHBondContact O-N 3.14Å; L4-S8 WeakPolarHBondContact O-CB 3.22Å; L4-S8 PolarHBondContact O-N 2.97Å; L4-I88 HydrophobicContact CD2-CD1 4.43Å
5	A	46.4	Very low	49.1	Very low	40 Å²	40	59.7 Å²	59.7	33%	0.331	32%	0.315	S	S	.	.	H	α-helix	trans	-70.1	-47.4	176.1	0	0	0	0	0	111.3	D2 V3 Y7 S8 I9	D2-A5 HydrophobicContact CB-CB 4.14Å; D2-A5 WeakPolarHBondContact O-CA 3.35Å; D2-A5 WeakPolarHBondContact O-CB 3.31Å; D2-A5 PolarHBondContact O-N 2.89Å; V3-A5 VanDerWaalsContact C-N 3.3Å; V3-A5 PolarHBondContact O-N 3.42Å; A5-Y7 VanDerWaalsContact C-N 3.3Å; A5-Y7 PolarHBondContact O-N 3.39Å; A5-S8 PolarHBondContact O-N 3.18Å; A5-I9 WeakPolarHBondContact O-CD1 3.38Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 2.91Å
6	S	50.4	Low	48.8	Very low	6 Å²	6	58.6 Å²	58.6	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-38.3	176.9	-62.5	0	0	0	0	112.2	D2 V3 F10	D2-S6 PolarHBondContact O-N 3.3Å; V3-S6 PolarHBondContact O-N 3.15Å; S6-F10 WeakPolarHBondContact O-CB 3.48Å; S6-F10 PolarHBondContact O-N 3.33Å
7	Y	50.7	Low	48.8	Very low	46 Å²	46	58.2 Å²	58.2	18%	0.18	31%	0.307	C	S	.	.	H	α-helix	trans	-70.7	-41.3	177.1	179.3	-99.9	0	0	0	112.6	V3 A5 I9 F10 Q11 L81	V3-Y7 WeakPolarHBondContact O-CB 3.46Å; V3-Y7 PolarHBondContact O-N 3.48Å; A5-Y7 VanDerWaalsContact C-N 3.3Å; A5-Y7 PolarHBondContact O-N 3.39Å; Y7-I9 VanDerWaalsContact C-N 3.34Å; Y7-I9 PolarHBondContact O-N 3.45Å; Y7-F10 WeakPolarHBondContact O-CB 3.41Å; Y7-F10 PolarHBondContact O-N 3.24Å; Y7-Q11 HydrophobicContact CD1-CG 4.49Å; Y7-Q11 HydrophobicContact CE1-CG 3.84Å; Y7-Q11 HydrophobicContact CE2-CG 4.4Å; Y7-Q11 PolarHBondContact O-N 3.46Å; Y7-Q11 PolarHBondContact OH-NE2 3.37Å; Y7-L81 HydrophobicContact CE1-CD2 3.7Å; Y7-L81 HydrophobicContact CE2-CD1 3.96Å; Y7-L81 HydrophobicContact CE2-CD2 3.95Å; Y7-L81 WeakPolarHBondContact OH-CD1 3.47Å; Y7-L81 VanDerWaalsContact OH-CD2 3.28Å; Y7-L81 WeakPolarHBondContact OH-CD2 3.39Å
8	S	47.1	Very low	48.7	Very low	39 Å²	39	59.1 Å²	59.1	27%	0.273	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-41.8	174.2	-173.7	0	0	0	0	111.5	L4 A5 F10 Q11 E12	L4-S8 WeakPolarHBondContact O-CB 3.22Å; L4-S8 PolarHBondContact O-N 2.97Å; A5-S8 PolarHBondContact O-N 3.18Å; S8-F10 VanDerWaalsContact C-N 3.31Å; S8-F10 PolarHBondContact O-N 3.17Å; S8-Q11 PolarHBondContact O-N 2.82Å; S8-E12 WeakPolarHBondContact O-CG 3.43Å; S8-E12 PolarHBondContact O-N 2.98Å
9	I	50.6	Low	48.4	Very low	63 Å²	63	60.6 Å²	60.6	32%	0.323	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-40.3	175	-65.9	162.7	0	0	0	110.4	M1 A5 Y7 E12 L13 T35	M1-I9 HydrophobicContact SD-CD1 4.3Å; A5-I9 WeakPolarHBondContact O-CD1 3.38Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 2.91Å; Y7-I9 VanDerWaalsContact C-N 3.34Å; Y7-I9 PolarHBondContact O-N 3.45Å; I9-E12 PolarHBondContact O-N 3.42Å; I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.2Å; I9-L13 WeakPolarHBondContact O-CB 3.45Å; I9-L13 VanDerWaalsContact O-CG 3.26Å; I9-L13 WeakPolarHBondContact O-CG 3.32Å; I9-L13 PolarHBondContact O-N 3.46Å; I9-T35 HydrophobicContact CG2-CG2 3.81Å
10	F	51.6	Low	48.1	Very low	6 Å²	6	60 Å²	60	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-45.2	176.1	174.2	-88.5	0	0	0	112.6	S6 Y7 S8 E12 L13 Q14 W32 C36 L39 F74	S6-F10 WeakPolarHBondContact O-CB 3.48Å; S6-F10 PolarHBondContact O-N 3.33Å; Y7-F10 WeakPolarHBondContact O-CB 3.41Å; Y7-F10 PolarHBondContact O-N 3.24Å; S8-F10 VanDerWaalsContact C-N 3.31Å; S8-F10 PolarHBondContact O-N 3.17Å; F10-E12 VanDerWaalsContact C-N 3.35Å; F10-E12 PolarHBondContact O-N 3.43Å; F10-L13 PolarHBondContact O-N 3.29Å; F10-Q14 HydrophobicContact CE1-CB 4.32Å; F10-Q14 HydrophobicContact CZ-CB 4.43Å; F10-Q14 WeakPolarHBondContact O-CB 3.49Å; F10-Q14 PolarHBondContact O-N 3.02Å; F10-W32 AromaticContact CE2-NE1 3.82Å; F10-C36 VanDerWaalsContact CE2-SG 3.58Å; F10-L39 HydrophobicContact CB-CD1 3.57Å; F10-L39 HydrophobicContact CD2-CD1 4.06Å; F10-L39 HydrophobicContact CG-CD1 3.84Å; F10-F74 HydrophobicContact CD1-CD1 4.2Å; F10-F74 AromaticContact CD1-CE1 3.99Å; F10-F74 HydrophobicContact CD1-CE1 3.99Å; F10-F74 HydrophobicContact CD1-CZ 4.49Å; F10-F74 HydrophobicContact CD2-CZ 4.35Å; F10-F74 HydrophobicContact CE1-CB 4.29Å; F10-F74 AromaticContact CE1-CD1 3.21Å; F10-F74 HydrophobicContact CE1-CD1 3.21Å; F10-F74 HydrophobicContact CE1-CD2 4.06Å; F10-F74 AromaticContact CE1-CE1 3.33Å; F10-F74 HydrophobicContact CE1-CE1 3.33Å; F10-F74 HydrophobicContact CE1-CE2 4.16Å; F10-F74 AromaticContact CE1-CG 3.61Å; F10-F74 HydrophobicContact CE1-CG 3.61Å; F10-F74 AromaticContact CE1-CZ 3.82Å; F10-F74 HydrophobicContact CE1-CZ 3.82Å; F10-F74 HydrophobicContact CE2-CD1 4.44Å; F10-F74 HydrophobicContact CE2-CD2 4.07Å; F10-F74 HydrophobicContact CE2-CE1 4.04Å; F10-F74 AromaticContact CE2-CE2 3.65Å; F10-F74 HydrophobicContact CE2-CE2 3.65Å; F10-F74 HydrophobicContact CE2-CG 4.45Å; F10-F74 AromaticContact CE2-CZ 3.63Å; F10-F74 HydrophobicContact CE2-CZ 3.63Å; F10-F74 HydrophobicContact CZ-CB 4.19Å; F10-F74 AromaticContact CZ-CD1 3.39Å; F10-F74 HydrophobicContact CZ-CD1 3.39Å; F10-F74 AromaticContact CZ-CD2 3.31Å; F10-F74 HydrophobicContact CZ-CD2 3.31Å; F10-F74 AromaticContact CZ-CE1 3.38Å; F10-F74 HydrophobicContact CZ-CE1 3.38Å; F10-F74 AromaticContact CZ-CE2 3.33Å; F10-F74 HydrophobicContact CZ-CE2 3.33Å; F10-F74 AromaticContact CZ-CG 3.35Å; F10-F74 HydrophobicContact CZ-CG 3.35Å; F10-F74 AromaticContact CZ-CZ 3.36Å; F10-F74 HydrophobicContact CZ-CZ 3.36Å
11	Q	52.4	Low	47.9	Very low	58 Å²	58	62.3 Å²	62.3	27%	0.271	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-43.8	177.3	-75	-176.4	-46.2	0	0	112.2	Y7 S8 Q14 L15	Y7-Q11 HydrophobicContact CD1-CG 4.49Å; Y7-Q11 HydrophobicContact CE1-CG 3.84Å; Y7-Q11 HydrophobicContact CE2-CG 4.4Å; Y7-Q11 PolarHBondContact O-N 3.46Å; Y7-Q11 PolarHBondContact OH-NE2 3.37Å; S8-Q11 PolarHBondContact O-N 2.82Å; Q11-Q14 PolarHBondContact O-N 3.36Å; Q11-L15 PolarHBondContact O-N 3.32Å; Q11-L15 VanDerWaalsContact O-N 3.11Å
12	E	49.4	Very low	48.2	Very low	93 Å²	93	56 Å²	56	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-45	176.6	-69.6	-67.5	154.1	0	0	111.5	S8 I9 F10 Q14 L15 V16	S8-E12 WeakPolarHBondContact O-CG 3.43Å; S8-E12 PolarHBondContact O-N 2.98Å; I9-E12 PolarHBondContact O-N 3.42Å; F10-E12 VanDerWaalsContact C-N 3.35Å; F10-E12 PolarHBondContact O-N 3.43Å; E12-Q14 PolarHBondContact O-N 3.44Å; E12-L15 WeakPolarHBondContact O-CB 3.28Å; E12-L15 PolarHBondContact O-N 2.75Å; E12-V16 WeakPolarHBondContact O-CG2 3.46Å; E12-V16 PolarHBondContact O-N 3.09Å
13	L	51.3	Low	48	Very low	13 Å²	13	56.5 Å²	56.5	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-70	-30.7	178.8	-66.2	173.2	0	0	0	112.7	I9 F10 V16 H17 L28 T31 W32 T35	I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.2Å; I9-L13 WeakPolarHBondContact O-CB 3.45Å; I9-L13 VanDerWaalsContact O-CG 3.26Å; I9-L13 WeakPolarHBondContact O-CG 3.32Å; I9-L13 PolarHBondContact O-N 3.46Å; F10-L13 PolarHBondContact O-N 3.29Å; L13-V16 CarbonylContact O-C 3.49Å; L13-V16 PolarHBondContact O-N 2.93Å; L13-H17 PolarHBondContact O-N 2.95Å; L13-L28 HydrophobicContact CD2-CD1 3.71Å; L13-L28 HydrophobicContact CD2-CD2 4.21Å; L13-L28 HydrophobicContact CD2-CG 3.73Å; L13-T31 HydrophobicContact CD1-CG2 4.2Å; L13-W32 HydrophobicContact CB-CB 4.24Å; L13-W32 HydrophobicContact CB-CG 4.29Å; L13-W32 HydrophobicContact CD1-CB 4.09Å; L13-T35 HydrophobicContact CD1-CG2 4.48Å
14	Q	55.9	Low	47.9	Very low	23 Å²	23	58 Å²	58	11%	0.107	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-40	173.9	-173.2	65.7	47.2	0	0	111.7	F10 Q11 E12 V16 H17 D18 E71	F10-Q14 HydrophobicContact CE1-CB 4.32Å; F10-Q14 HydrophobicContact CZ-CB 4.43Å; F10-Q14 WeakPolarHBondContact O-CB 3.49Å; F10-Q14 PolarHBondContact O-N 3.02Å; Q11-Q14 PolarHBondContact O-N 3.36Å; E12-Q14 PolarHBondContact O-N 3.44Å; Q14-V16 PolarHBondContact O-N 3.48Å; Q14-H17 WeakPolarHBondContact O-CA 3.47Å; Q14-H17 VanDerWaalsContact O-CB 3.24Å; Q14-H17 WeakPolarHBondContact O-CB 3.28Å; Q14-H17 PolarHBondContact O-N 2.68Å; Q14-D18 PolarHBondContact NE2-OD1 3.24Å; Q14-D18 PolarHBondContact O-N 3.15Å; Q14-E71 VanDerWaalsContact NE2-CG 3.27Å
15	L	50.2	Low	47.6	Very low	112 Å²	112	56.8 Å²	56.8	59%	0.586	33%	0.327	S	S	*	.	H	α-helix	trans	-59.2	-37.6	172.1	-80	153.8	0	0	0	111.6	Q11 E12 T19	Q11-L15 PolarHBondContact O-N 3.32Å; Q11-L15 VanDerWaalsContact O-N 3.11Å; E12-L15 WeakPolarHBondContact O-CB 3.28Å; E12-L15 PolarHBondContact O-N 2.75Å; L15-T19 VanDerWaalsContact O-CG2 3.31Å; L15-T19 WeakPolarHBondContact O-CG2 3.33Å; L15-T19 PolarHBondContact O-N 2.81Å; L15-T19 PolarHBondContact O-OG1 3.46Å; L15-T19 VanDerWaalsContact O-OG1 3.12Å
16	V	44.1	Very low	47.7	Very low	41 Å²	41	59.5 Å²	59.5	25%	0.248	34%	0.341	C	S	.	.	H	α-helix	trans	-72.8	-29.7	174.2	-174.4	0	0	0	0	111.9	E12 L13 Q14 T19 Y21 L28	E12-V16 WeakPolarHBondContact O-CG2 3.46Å; E12-V16 PolarHBondContact O-N 3.09Å; L13-V16 CarbonylContact O-C 3.49Å; L13-V16 PolarHBondContact O-N 2.93Å; Q14-V16 PolarHBondContact O-N 3.48Å; V16-T19 WeakPolarHBondContact CA-OG1 3.46Å; V16-T19 PolarHBondContact O-OG1 2.97Å; V16-Y21 PolarHBondContact O-N 3.08Å; V16-L28 HydrophobicContact CB-CD2 4.21Å; V16-L28 HydrophobicContact CG1-CD2 3.54Å; V16-L28 HydrophobicContact CG2-CD2 4.47Å
17	H	50	Low	47.5	Very low	53 Å²	53	63 Å²	63	25%	0.245	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-55.2	172.1	-162.4	-89.9	0	0	0	112.1	L13 Q14 T19 G20 F22 E71	L13-H17 PolarHBondContact O-N 2.95Å; Q14-H17 WeakPolarHBondContact O-CA 3.47Å; Q14-H17 VanDerWaalsContact O-CB 3.24Å; Q14-H17 WeakPolarHBondContact O-CB 3.28Å; Q14-H17 PolarHBondContact O-N 2.68Å; H17-T19 PolarHBondContact O-N 3.31Å; H17-T19 VanDerWaalsContact O-N 3.09Å; H17-G20 PolarHBondContact O-N 2.89Å; H17-F22 HydrophobicContact CB-CD2 3.96Å; H17-F22 HydrophobicContact CB-CE2 3.51Å; H17-F22 AromaticContact CD2-CD2 3.47Å; H17-F22 VanDerWaalsContact CD2-CD2 3.47Å; H17-F22 WeakPolarHBondContact CD2-CD2 3.39Å; H17-F22 AromaticContact CD2-CE2 3.57Å; H17-F22 AromaticContact CG-CD2 3.98Å; H17-F22 AromaticContact CG-CE2 3.9Å; H17-E71 IonicContact CE1-OE1 3.12Å; H17-E71 PolarHBondContact CE1-OE1 3.47Å; H17-E71 IonicContact CE1-OE2 3.93Å; H17-E71 PolarHBondContact CE1-OE2 2.94Å; H17-E71 VanDerWaalsContact CE1-OE2 3.31Å; H17-E71 IonicContact ND1-OE1 2.75Å; H17-E71 PolarHBondContact ND1-OE1 2.67Å; H17-E71 IonicContact ND1-OE2 2.72Å
18	D	46.1	Very low	47.4	Very low	73 Å²	73	63 Å²	63	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-20.1	-175.4	-78.6	39.4	0	0	0	112.2	Q14 R75	Q14-D18 PolarHBondContact NE2-OD1 3.24Å; Q14-D18 PolarHBondContact O-N 3.15Å; D18-R75 IonicContact OD2-CZ 3.98Å; D18-R75 IonicContact OD2-NE 3.9Å; D18-R75 IonicContact OD2-NH2 3.95Å; D18-R75 PolarHBondContact OD2-NH2 3.25Å
19	T	44.1	Very low	47.5	Very low	89 Å²	89	65.1 Å²	65.1	55%	0.546	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.3	175.7	54	0	0	0	0	113.9	L15 V16 H17 Y21	L15-T19 VanDerWaalsContact O-CG2 3.31Å; L15-T19 WeakPolarHBondContact O-CG2 3.33Å; L15-T19 PolarHBondContact O-N 2.81Å; L15-T19 PolarHBondContact O-OG1 3.46Å; L15-T19 VanDerWaalsContact O-OG1 3.12Å; V16-T19 WeakPolarHBondContact CA-OG1 3.46Å; V16-T19 PolarHBondContact O-OG1 2.97Å; H17-T19 PolarHBondContact O-N 3.31Å; H17-T19 VanDerWaalsContact O-N 3.09Å; T19-Y21 VanDerWaalsContact C-N 3.25Å; T19-Y21 PolarHBondContact O-N 2.78Å; T19-Y21 WeakPolarHBondContact OG1-CD2 2.9Å
20	G	42.4	Very low	47.8	Very low	47 Å²	47	68.6 Å²	68.6	49%	0.485	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	11.1	177.9	0	0	0	0	0	114.9	H17 F22 S23	H17-G20 PolarHBondContact O-N 2.89Å; G20-F22 VanDerWaalsContact C-N 3.33Å; G20-F22 PolarHBondContact O-N 3.22Å; G20-S23 PolarHBondContact O-OG 3.31Å
21	Y	42.5	Very low	47.8	Very low	109 Å²	109	71.5 Å²	71.5	43%	0.427	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-74.7	-14.9	-172.3	-100.1	-94.2	0	0	0	114.6	V16 T19 S23 A24	V16-Y21 PolarHBondContact O-N 3.08Å; T19-Y21 VanDerWaalsContact C-N 3.25Å; T19-Y21 PolarHBondContact O-N 2.78Å; T19-Y21 WeakPolarHBondContact OG1-CD2 2.9Å; Y21-S23 PolarHBondContact O-N 2.91Å; Y21-A24 PolarHBondContact O-N 3.48Å
22	F	46.4	Very low	48	Very low	16 Å²	16	70.1 Å²	70.1	7%	0.07	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-62.4	-28.6	179.4	-79.6	-62.5	0	0	0	113.7	H17 G20 A24 L25 L28 E29 W32	H17-F22 HydrophobicContact CB-CD2 3.96Å; H17-F22 HydrophobicContact CB-CE2 3.51Å; H17-F22 AromaticContact CD2-CD2 3.47Å; H17-F22 VanDerWaalsContact CD2-CD2 3.47Å; H17-F22 WeakPolarHBondContact CD2-CD2 3.39Å; H17-F22 AromaticContact CD2-CE2 3.57Å; H17-F22 AromaticContact CG-CD2 3.98Å; H17-F22 AromaticContact CG-CE2 3.9Å; G20-F22 VanDerWaalsContact C-N 3.33Å; G20-F22 PolarHBondContact O-N 3.22Å; F22-A24 PolarHBondContact O-N 3.48Å; F22-L25 CarbonylContact O-C 3.32Å; F22-L25 PolarHBondContact O-N 3.28Å; F22-L28 HydrophobicContact CD1-CB 4.07Å; F22-L28 HydrophobicContact CD1-CD2 4.39Å; F22-L28 HydrophobicContact CD1-CG 4.43Å; F22-L28 HydrophobicContact CE1-CB 3.73Å; F22-L28 HydrophobicContact CE1-CD2 3.79Å; F22-L28 HydrophobicContact CE1-CG 3.68Å; F22-L28 WeakPolarHBondContact CE1-O 3.43Å; F22-L28 HydrophobicContact CZ-CD2 4.35Å; F22-L28 HydrophobicContact CZ-CG 4.44Å; F22-E29 HydrophobicContact CB-CB 4.45Å; F22-E29 HydrophobicContact CD1-CB 3.63Å; F22-E29 HydrophobicContact CD1-CG 4.32Å; F22-E29 VanDerWaalsContact CD1-N 3.29Å; F22-E29 VanDerWaalsContact CE1-CA 3.48Å; F22-E29 HydrophobicContact CE1-CB 4.25Å; F22-E29 VanDerWaalsContact CE1-N 3.31Å; F22-E29 HydrophobicContact CG-CB 4.26Å; F22-W32 HydrophobicContact CE1-CB 4.14Å; F22-W32 HydrophobicContact CE2-CG 4.48Å; F22-W32 HydrophobicContact CZ-CB 3.77Å; F22-W32 HydrophobicContact CZ-CG 4.05Å
23	S	45.1	Very low	48.5	Very low	116 Å²	116	70.1 Å²	70.1	81%	0.811	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-57.4	-22.5	173.9	61	0	0	0	0	113.7	G20 Y21	G20-S23 PolarHBondContact O-OG 3.31Å; Y21-S23 PolarHBondContact O-N 2.91Å
24	A	42.6	Very low	48.9	Very low	70 Å²	70	75.5 Å²	75.5	58%	0.579	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-100.4	-10.6	179.3	0	0	0	0	0	114.1	Y21 F22	Y21-A24 PolarHBondContact O-N 3.48Å; F22-A24 PolarHBondContact O-N 3.48Å
25	L	39.3	Very low	48.7	Very low	80 Å²	80	74.9 Å²	74.9	42%	0.419	42%	0.422	S	S	.	.			trans	-142	80.4	-172.2	-70.2	170.5	0	0	0	112.1	F22 S27 L28 E29	F22-L25 CarbonylContact O-C 3.32Å; F22-L25 PolarHBondContact O-N 3.28Å; L25-S27 VanDerWaalsContact C-N 3.25Å; L25-S27 PolarHBondContact O-N 3.13Å; L25-L28 HydrophobicContact CB-CB 3.95Å; L25-L28 HydrophobicContact CD1-CD2 4.43Å; L25-L28 WeakPolarHBondContact O-CB 3.4Å; L25-L28 PolarHBondContact O-N 3.08Å; L25-E29 PolarHBondContact O-N 2.77Å
26	P	48.8	Very low	49.1	Very low	97 Å²	97	70.1 Å²	70.1	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-58.7	-31.7	179.5	-24.5	33.7	0	0	0	114.5	L28 E29 E30	P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 3.16Å; P26-E29 PolarHBondContact O-N 2.91Å; P26-E30 PolarHBondContact O-N 3.38Å; P26-E30 VanDerWaalsContact O-N 3.15Å
27	S	47.9	Very low	49.9	Very low	79 Å²	79	72.4 Å²	72.4	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-66.5	-30.2	177	52.5	0	0	0	0	112.9	L25 T31	L25-S27 VanDerWaalsContact C-N 3.25Å; L25-S27 PolarHBondContact O-N 3.13Å; S27-T31 PolarHBondContact O-N 3.03Å; S27-T31 PolarHBondContact O-OG1 2.83Å
28	L	47	Very low	50.2	Low	47 Å²	47	73 Å²	73	25%	0.246	41%	0.411	C	S	.	.	H	α-helix	trans	-76	-38.1	177.5	-157.2	74.9	0	0	0	109.9	L13 V16 F22 L25 P26 E30 T31 W32	L13-L28 HydrophobicContact CD2-CD1 3.71Å; L13-L28 HydrophobicContact CD2-CD2 4.21Å; L13-L28 HydrophobicContact CD2-CG 3.73Å; V16-L28 HydrophobicContact CB-CD2 4.21Å; V16-L28 HydrophobicContact CG1-CD2 3.54Å; V16-L28 HydrophobicContact CG2-CD2 4.47Å; F22-L28 HydrophobicContact CD1-CB 4.07Å; F22-L28 HydrophobicContact CD1-CD2 4.39Å; F22-L28 HydrophobicContact CD1-CG 4.43Å; F22-L28 HydrophobicContact CE1-CB 3.73Å; F22-L28 HydrophobicContact CE1-CD2 3.79Å; F22-L28 HydrophobicContact CE1-CG 3.68Å; F22-L28 WeakPolarHBondContact CE1-O 3.43Å; F22-L28 HydrophobicContact CZ-CD2 4.35Å; F22-L28 HydrophobicContact CZ-CG 4.44Å; L25-L28 HydrophobicContact CB-CB 3.95Å; L25-L28 HydrophobicContact CD1-CD2 4.43Å; L25-L28 WeakPolarHBondContact O-CB 3.4Å; L25-L28 PolarHBondContact O-N 3.08Å; P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 3.16Å; L28-E30 VanDerWaalsContact C-N 3.32Å; L28-E30 PolarHBondContact O-N 2.96Å; L28-T31 WeakPolarHBondContact O-CB 3.28Å; L28-T31 PolarHBondContact O-N 3.27Å; L28-T31 VanDerWaalsContact O-N 3.13Å; L28-W32 PolarHBondContact O-N 3.41Å
29	E	50.4	Low	50.6	Low	83 Å²	83	70.4 Å²	70.4	39%	0.388	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-43.8	177.4	-170.7	179.2	171.1	0	0	110.5	F22 L25 P26 T31 W32 Q33	F22-E29 HydrophobicContact CB-CB 4.45Å; F22-E29 HydrophobicContact CD1-CB 3.63Å; F22-E29 HydrophobicContact CD1-CG 4.32Å; F22-E29 VanDerWaalsContact CD1-N 3.29Å; F22-E29 VanDerWaalsContact CE1-CA 3.48Å; F22-E29 HydrophobicContact CE1-CB 4.25Å; F22-E29 VanDerWaalsContact CE1-N 3.31Å; F22-E29 HydrophobicContact CG-CB 4.26Å; L25-E29 PolarHBondContact O-N 2.77Å; P26-E29 PolarHBondContact O-N 2.91Å; E29-T31 VanDerWaalsContact C-N 3.29Å; E29-T31 PolarHBondContact O-N 3.43Å; E29-W32 PolarHBondContact O-N 3.1Å; E29-Q33 WeakPolarHBondContact O-CG 3.49Å; E29-Q33 PolarHBondContact O-N 3.34Å
30	E	56.6	Low	51	Low	136 Å²	136	69.4 Å²	69.4	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-61	-38.9	174.3	-166.4	173.5	-166.8	0	0	111.8	P26 L28 Q33 Q34	P26-E30 PolarHBondContact O-N 3.38Å; P26-E30 VanDerWaalsContact O-N 3.15Å; L28-E30 VanDerWaalsContact C-N 3.32Å; L28-E30 PolarHBondContact O-N 2.96Å; E30-Q33 PolarHBondContact O-N 3.4Å; E30-Q34 VanDerWaalsContact O-CB 3.32Å; E30-Q34 WeakPolarHBondContact O-CB 3.44Å; E30-Q34 PolarHBondContact O-N 3.3Å
31	T	52.4	Low	51.7	Low	67 Å²	67	75.8 Å²	75.8	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-67.5	-39.5	176.6	-52.7	0	0	0	0	111.9	L13 S27 L28 E29 Q34 T35	L13-T31 HydrophobicContact CD1-CG2 4.2Å; S27-T31 PolarHBondContact O-N 3.03Å; S27-T31 PolarHBondContact O-OG1 2.83Å; L28-T31 WeakPolarHBondContact O-CB 3.28Å; L28-T31 PolarHBondContact O-N 3.27Å; L28-T31 VanDerWaalsContact O-N 3.13Å; E29-T31 VanDerWaalsContact C-N 3.29Å; E29-T31 PolarHBondContact O-N 3.43Å; T31-Q34 PolarHBondContact O-N 3.18Å; T31-T35 WeakPolarHBondContact O-CB 3.3Å; T31-T35 WeakPolarHBondContact O-CG2 3.07Å; T31-T35 PolarHBondContact O-N 3.17Å; T31-T35 PolarHBondContact O-OG1 3.48Å
32	W	56.3	Low	52.1	Low	29 Å²	29	73.2 Å²	73.2	11%	0.11	39%	0.386	C	S	.	.	H	α-helix	trans	-64.8	-45.4	174.5	177.6	82.2	0	0	0	111.5	F10 L13 F22 L28 E29 Q34 T35 C36	F10-W32 AromaticContact CE2-NE1 3.82Å; L13-W32 HydrophobicContact CB-CB 4.24Å; L13-W32 HydrophobicContact CB-CG 4.29Å; L13-W32 HydrophobicContact CD1-CB 4.09Å; F22-W32 HydrophobicContact CE1-CB 4.14Å; F22-W32 HydrophobicContact CE2-CG 4.48Å; F22-W32 HydrophobicContact CZ-CB 3.77Å; F22-W32 HydrophobicContact CZ-CG 4.05Å; L28-W32 PolarHBondContact O-N 3.41Å; E29-W32 PolarHBondContact O-N 3.1Å; W32-Q34 VanDerWaalsContact C-N 3.33Å; W32-Q34 PolarHBondContact O-N 3.2Å; W32-T35 WeakPolarHBondContact CA-OG1 3.3Å; W32-T35 PolarHBondContact O-N 2.96Å; W32-T35 PolarHBondContact O-OG1 3.4Å; W32-C36 WeakPolarHBondContact O-CB 3.44Å; W32-C36 PolarHBondContact O-N 3.01Å; W32-C36 PolarHBondContact O-SG 2.73Å
33	Q	59	Low	52.2	Low	92 Å²	92	74.1 Å²	74.1	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-60.9	-43.3	175.6	-70.3	177.2	-4.1	0	0	111.5	E29 E30 C36 L37	E29-Q33 WeakPolarHBondContact O-CG 3.49Å; E29-Q33 PolarHBondContact O-N 3.34Å; E30-Q33 PolarHBondContact O-N 3.4Å; Q33-C36 PolarHBondContact O-N 2.9Å; Q33-L37 WeakPolarHBondContact O-CG 3.24Å; Q33-L37 PolarHBondContact O-N 2.92Å
34	Q	59.9	Low	52.3	Low	126 Å²	126	74.9 Å²	74.9	59%	0.589	38%	0.382	S	S	*	.	H	α-helix	trans	-67.5	-39.6	-179.6	-159	77.7	-34	0	0	112.7	E30 T31 W32 L37 E38	E30-Q34 VanDerWaalsContact O-CB 3.32Å; E30-Q34 WeakPolarHBondContact O-CB 3.44Å; E30-Q34 PolarHBondContact O-N 3.3Å; T31-Q34 PolarHBondContact O-N 3.18Å; W32-Q34 VanDerWaalsContact C-N 3.33Å; W32-Q34 PolarHBondContact O-N 3.2Å; Q34-L37 PolarHBondContact O-N 3.15Å; Q34-E38 PolarHBondContact O-N 2.85Å
35	T	52.7	Low	52.6	Low	10 Å²	10	76.3 Å²	76.3	6%	0.061	38%	0.383	C	S	.	.	H	α-helix	trans	-69.6	-38	176.6	43	0	0	0	0	112	I9 L13 T31 W32 L37 E38 L39	I9-T35 HydrophobicContact CG2-CG2 3.81Å; L13-T35 HydrophobicContact CD1-CG2 4.48Å; T31-T35 WeakPolarHBondContact O-CB 3.3Å; T31-T35 WeakPolarHBondContact O-CG2 3.07Å; T31-T35 PolarHBondContact O-N 3.17Å; T31-T35 PolarHBondContact O-OG1 3.48Å; W32-T35 WeakPolarHBondContact CA-OG1 3.3Å; W32-T35 PolarHBondContact O-N 2.96Å; W32-T35 PolarHBondContact O-OG1 3.4Å; T35-L37 VanDerWaalsContact C-N 3.34Å; T35-L37 PolarHBondContact O-N 3.34Å; T35-E38 PolarHBondContact O-N 3.35Å; T35-L39 WeakPolarHBondContact O-CB 3.42Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 2.99Å
36	C	57	Low	52.6	Low	13 Å²	13	75.8 Å²	75.8	9%	0.088	38%	0.379	C	S	.	.	H	α-helix	trans	-57.1	-47.7	169.5	-69.3	0	0	0	0	111.3	F10 W32 Q33 E38 L39 E40	F10-C36 VanDerWaalsContact CE2-SG 3.58Å; W32-C36 WeakPolarHBondContact O-CB 3.44Å; W32-C36 PolarHBondContact O-N 3.01Å; W32-C36 PolarHBondContact O-SG 2.73Å; Q33-C36 PolarHBondContact O-N 2.9Å; C36-E38 PolarHBondContact O-N 3.12Å; C36-L39 PolarHBondContact O-N 3.36Å; C36-E40 WeakPolarHBondContact O-CB 3.49Å; C36-E40 WeakPolarHBondContact O-CG 3.28Å; C36-E40 PolarHBondContact O-N 2.72Å
37	L	61	Low	52.3	Low	88 Å²	88	74.3 Å²	74.3	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-38	177.7	-72.3	169.6	0	0	0	112.7	Q33 Q34 T35 R41	Q33-L37 WeakPolarHBondContact O-CG 3.24Å; Q33-L37 PolarHBondContact O-N 2.92Å; Q34-L37 PolarHBondContact O-N 3.15Å; T35-L37 VanDerWaalsContact C-N 3.34Å; T35-L37 PolarHBondContact O-N 3.34Å; L37-R41 WeakPolarHBondContact O-CB 3.47Å; L37-R41 VanDerWaalsContact O-CG 3.27Å; L37-R41 WeakPolarHBondContact O-CG 3.33Å; L37-R41 PolarHBondContact O-N 3.32Å
38	E	56.8	Low	51.8	Low	67 Å²	67	81 Å²	81	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-67.8	-42.1	176.6	-167.2	176.1	178.3	0	0	111.3	M1 Q34 T35 C36 R41 Y42	M1-E38 PolarHBondContact N-OE1 3.21Å; Q34-E38 PolarHBondContact O-N 2.85Å; T35-E38 PolarHBondContact O-N 3.35Å; C36-E38 PolarHBondContact O-N 3.12Å; E38-R41 PolarHBondContact O-N 3.5Å; E38-Y42 WeakPolarHBondContact O-CB 3.32Å; E38-Y42 PolarHBondContact O-N 2.81Å
39	L	53.8	Low	51.3	Low	18 Å²	18	86.6 Å²	86.6	9%	0.094	40%	0.4	C	S	.	.	H	α-helix	trans	-61.9	-47.6	173.4	-75.5	172.4	0	0	0	111.1	F10 T35 C36 R41 Y42 L43	F10-L39 HydrophobicContact CB-CD1 3.57Å; F10-L39 HydrophobicContact CD2-CD1 4.06Å; F10-L39 HydrophobicContact CG-CD1 3.84Å; T35-L39 WeakPolarHBondContact O-CB 3.42Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 2.99Å; C36-L39 PolarHBondContact O-N 3.36Å; L39-R41 PolarHBondContact O-N 2.9Å; L39-Y42 PolarHBondContact O-N 3.38Å; L39-L43 WeakPolarHBondContact O-CB 3.4Å; L39-L43 WeakPolarHBondContact O-CG 3.49Å; L39-L43 PolarHBondContact O-N 3Å
40	E	53.7	Low	50.5	Low	67 Å²	67	82.9 Å²	82.9	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-58	-45.6	175.4	-77.4	-175.4	175.4	0	0	112.2	C36 Y42 L43 Q44	C36-E40 WeakPolarHBondContact O-CB 3.49Å; C36-E40 WeakPolarHBondContact O-CG 3.28Å; C36-E40 PolarHBondContact O-N 2.72Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.75Å; E40-L43 PolarHBondContact O-N 2.98Å; E40-Q44 VanDerWaalsContact O-CG 3.26Å; E40-Q44 WeakPolarHBondContact O-CG 3.21Å; E40-Q44 PolarHBondContact O-N 3.25Å
41	R	57.6	Low	49.6	Very low	182 Å²	182	78.3 Å²	78.3	69%	0.687	37%	0.366	S	S	*	.	H	α-helix	trans	-61.4	-43.8	175.7	-78.2	178.4	66.5	177.1	-0.5	111.3	L37 E38 L39 Q44 T45	L37-R41 WeakPolarHBondContact O-CB 3.47Å; L37-R41 VanDerWaalsContact O-CG 3.27Å; L37-R41 WeakPolarHBondContact O-CG 3.33Å; L37-R41 PolarHBondContact O-N 3.32Å; E38-R41 PolarHBondContact O-N 3.5Å; L39-R41 PolarHBondContact O-N 2.9Å; R41-Q44 PolarHBondContact O-N 2.9Å; R41-T45 WeakPolarHBondContact O-CG2 3.47Å; R41-T45 PolarHBondContact O-N 3.04Å; R41-T45 PolarHBondContact O-OG1 3.38Å; R41-T45 VanDerWaalsContact O-OG1 3.05Å
42	Y	50.9	Low	48.9	Very low	54 Å²	54	82.5 Å²	82.5	21%	0.212	38%	0.381	C	S	.	.	H	α-helix	trans	-61.5	-47.9	178.8	-175.1	-93.3	0	0	0	111.2	V3 E38 L39 E40 Q44 T45 E46 I50	V3-Y42 HydrophobicContact CB-CD1 4.48Å; V3-Y42 HydrophobicContact CB-CE1 4.08Å; V3-Y42 HydrophobicContact CG1-CD1 3.93Å; V3-Y42 HydrophobicContact CG1-CE1 3.77Å; V3-Y42 HydrophobicContact CG2-CD1 3.79Å; V3-Y42 HydrophobicContact CG2-CD2 4.22Å; V3-Y42 HydrophobicContact CG2-CE1 3.11Å; V3-Y42 HydrophobicContact CG2-CE2 3.63Å; V3-Y42 HydrophobicContact CG2-CG 4.3Å; V3-Y42 WeakPolarHBondContact CG2-OH 3.26Å; E38-Y42 WeakPolarHBondContact O-CB 3.32Å; E38-Y42 PolarHBondContact O-N 2.81Å; L39-Y42 PolarHBondContact O-N 3.38Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.75Å; Y42-Q44 PolarHBondContact O-N 3.31Å; Y42-T45 WeakPolarHBondContact CA-OG1 3.21Å; Y42-T45 PolarHBondContact O-N 2.91Å; Y42-T45 PolarHBondContact O-OG1 3.05Å; Y42-T45 VanDerWaalsContact O-OG1 3.05Å; Y42-E46 HydrophobicContact CE1-CB 4.46Å; Y42-E46 HydrophobicContact CE2-CB 4.46Å; Y42-E46 HydrophobicContact CE2-CG 4.21Å; Y42-E46 PolarHBondContact O-N 3.05Å; Y42-E46 PolarHBondContact OH-OE2 3.05Å; Y42-E46 VanDerWaalsContact OH-OE2 3.05Å; Y42-I50 HydrophobicContact CD1-CD1 4.45Å; Y42-I50 HydrophobicContact CE1-CD1 4.25Å
43	L	48	Very low	47.8	Very low	36 Å²	36	85.3 Å²	85.3	19%	0.188	40%	0.402	C	S	.	.	H	α-helix	trans	-57.8	-33.2	175.6	-67.1	176	0	0	0	112.4	L39 E40 I50 L58 F61	L39-L43 WeakPolarHBondContact O-CB 3.4Å; L39-L43 WeakPolarHBondContact O-CG 3.49Å; L39-L43 PolarHBondContact O-N 3Å; E40-L43 PolarHBondContact O-N 2.98Å; L43-I50 HydrophobicContact CB-CD1 4.49Å; L43-I50 HydrophobicContact CD2-CD1 3.65Å; L43-I50 HydrophobicContact CD2-CG2 4.21Å; L43-L58 HydrophobicContact CD1-CD1 4.41Å; L43-L58 HydrophobicContact CD2-CD1 3.87Å; L43-L58 HydrophobicContact CD2-CD2 4.48Å; L43-F61 HydrophobicContact CD1-CD1 4.44Å; L43-F61 HydrophobicContact CD1-CE1 4.02Å
44	Q	47.5	Very low	46.6	Very low	131 Å²	131	84.2 Å²	84.2	61%	0.612	40%	0.396	S	S	*	.	H	α-helix	trans	-77.2	-31.9	174.8	-70.4	172.4	24.2	0	0	113.5	E40 R41 Y42 L62	E40-Q44 VanDerWaalsContact O-CG 3.26Å; E40-Q44 WeakPolarHBondContact O-CG 3.21Å; E40-Q44 PolarHBondContact O-N 3.25Å; R41-Q44 PolarHBondContact O-N 2.9Å; Y42-Q44 PolarHBondContact O-N 3.31Å; Q44-L62 HydrophobicContact CG-CD2 4.43Å
45	T	47.2	Very low	46	Very low	100 Å²	100	79.9 Å²	79.9	61%	0.613	39%	0.385	S	S	*	.	H	α-helix	trans	-86.9	-31.3	-174.6	52.7	0	0	0	0	115	R41 Y42 P47	R41-T45 WeakPolarHBondContact O-CG2 3.47Å; R41-T45 PolarHBondContact O-N 3.04Å; R41-T45 PolarHBondContact O-OG1 3.38Å; R41-T45 VanDerWaalsContact O-OG1 3.05Å; Y42-T45 WeakPolarHBondContact CA-OG1 3.21Å; Y42-T45 PolarHBondContact O-N 2.91Å; Y42-T45 PolarHBondContact O-OG1 3.05Å; Y42-T45 VanDerWaalsContact O-OG1 3.05Å; T45-P47 WeakPolarHBondContact O-CD 3.39Å
46	E	41.1	Very low	45.6	Very low	69 Å²	69	81.1 Å²	81.1	32%	0.322	39%	0.39	S	S	.	.			trans	-120.4	58.1	-179.7	-69	-148.9	173	0	0	114.1	Y42 R48 R49 I50	Y42-E46 HydrophobicContact CE1-CB 4.46Å; Y42-E46 HydrophobicContact CE2-CB 4.46Å; Y42-E46 HydrophobicContact CE2-CG 4.21Å; Y42-E46 PolarHBondContact O-N 3.05Å; Y42-E46 PolarHBondContact OH-OE2 3.05Å; Y42-E46 VanDerWaalsContact OH-OE2 3.05Å; E46-R48 PolarHBondContact O-N 3.14Å; E46-R49 PolarHBondContact O-N 2.73Å; E46-R49 IonicContact OE2-CZ 3.66Å; E46-R49 IonicContact OE2-NE 3.43Å; E46-R49 PolarHBondContact OE2-NE 3.15Å; E46-R49 IonicContact OE2-NH2 3.07Å; E46-I50 VanDerWaalsContact O-CD1 3.26Å; E46-I50 WeakPolarHBondContact O-CD1 3.41Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å
47	P	41	Very low	45.2	Very low	67 Å²	67	83.4 Å²	83.4	44%	0.435	40%	0.401	S	S	.	.	H	α-helix	trans	-61.7	-19.1	-177.7	24.5	-33.5	0	0	0	113.8	T45 S51	T45-P47 WeakPolarHBondContact O-CD 3.39Å; P47-S51 PolarHBondContact O-N 2.9Å
48	R	37.6	Very low	44.5	Very low	220 Å²	220	80.3 Å²	80.3	83%	0.83	39%	0.385	S	S	*	.	H	α-helix	trans	-77.8	-34.5	-173.2	-68.2	-167.8	178	-159.7	1.6	114.6	E46	E46-R48 PolarHBondContact O-N 3.14Å
49	R	36.7	Very low	44	Very low	163 Å²	163	78.9 Å²	78.9	62%	0.615	38%	0.38	S	S	*	.	H	α-helix	trans	-80.4	-30.1	176.5	-74.3	-170.2	-140.4	-117.1	-0.1	112.4	E46 E52 T53	E46-R49 PolarHBondContact O-N 2.73Å; E46-R49 IonicContact OE2-CZ 3.66Å; E46-R49 IonicContact OE2-NE 3.43Å; E46-R49 PolarHBondContact OE2-NE 3.15Å; E46-R49 IonicContact OE2-NH2 3.07Å; R49-E52 PolarHBondContact O-N 3.23Å; R49-T53 PolarHBondContact O-N 3.39Å; R49-T53 PolarHBondContact O-OG1 3.39Å
50	I	34.3	Very low	43.7	Very low	6 Å²	6	78.3 Å²	78.3	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-78	-30.5	-173.4	-50.9	162.5	0	0	0	110.5	Y42 L43 E46 E52 T53 F54 L58	Y42-I50 HydrophobicContact CD1-CD1 4.45Å; Y42-I50 HydrophobicContact CE1-CD1 4.25Å; L43-I50 HydrophobicContact CB-CD1 4.49Å; L43-I50 HydrophobicContact CD2-CD1 3.65Å; L43-I50 HydrophobicContact CD2-CG2 4.21Å; E46-I50 VanDerWaalsContact O-CD1 3.26Å; E46-I50 WeakPolarHBondContact O-CD1 3.41Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å; I50-E52 PolarHBondContact O-N 3.48Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-N 3.31Å; I50-F54 HydrophobicContact CB-CD2 4.29Å; I50-F54 HydrophobicContact CG2-CB 4Å; I50-F54 HydrophobicContact CG2-CD2 3.31Å; I50-F54 HydrophobicContact CG2-CE2 3.99Å; I50-F54 HydrophobicContact CG2-CG 3.87Å; I50-F54 WeakPolarHBondContact O-CB 3.31Å; I50-F54 PolarHBondContact O-N 3.42Å; I50-L58 HydrophobicContact CB-CD2 3.8Å; I50-L58 HydrophobicContact CD1-CD2 4.25Å; I50-L58 HydrophobicContact CG2-CB 4.43Å; I50-L58 HydrophobicContact CG2-CD1 3.89Å; I50-L58 HydrophobicContact CG2-CD2 3.3Å; I50-L58 HydrophobicContact CG2-CG 4.04Å
51	S	36.3	Very low	43.2	Very low	40 Å²	40	77.4 Å²	77.4	28%	0.28	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-28	169.6	172.3	0	0	0	0	113.8	P47	P47-S51 PolarHBondContact O-N 2.9Å
52	E	38.1	Very low	42.7	Very low	155 Å²	155	71.8 Å²	71.8	72%	0.724	36%	0.355	S	S	*	.	H	α-helix	trans	-88.3	-22.6	-178	-67.7	-178.8	159.3	0	0	112.5	R49 I50	R49-E52 PolarHBondContact O-N 3.23Å; I50-E52 PolarHBondContact O-N 3.48Å
53	T	33.3	Very low	42.7	Very low	87 Å²	87	72.7 Å²	72.7	53%	0.534	36%	0.362	S	S	.	.	H	α-helix	trans	-106.8	-34	-175.2	36.4	0	0	0	0	113.6	R49 I50	R49-T53 PolarHBondContact O-N 3.39Å; R49-T53 PolarHBondContact O-OG1 3.39Å; I50-T53 WeakPolarHBondContact CA-OG1 3.49Å; I50-T53 PolarHBondContact O-N 3.31Å
54	F	34.9	Very low	42.6	Very low	69 Å²	69	71.2 Å²	71.2	30%	0.303	36%	0.355	S	S	.	.	S	Bend	trans	-110.1	6.4	-177.2	-65.2	-95.6	0	0	0	113.8	I50 L81 V84	I50-F54 HydrophobicContact CB-CD2 4.29Å; I50-F54 HydrophobicContact CG2-CB 4Å; I50-F54 HydrophobicContact CG2-CD2 3.31Å; I50-F54 HydrophobicContact CG2-CE2 3.99Å; I50-F54 HydrophobicContact CG2-CG 3.87Å; I50-F54 WeakPolarHBondContact O-CB 3.31Å; I50-F54 PolarHBondContact O-N 3.42Å; F54-L81 HydrophobicContact CE1-CD2 4.4Å; F54-V84 HydrophobicContact CD1-CG2 4.35Å; F54-V84 HydrophobicContact CE1-CG2 4.21Å
55	G	45.7	Very low	42.5	Very low	36 Å²	36	67.3 Å²	67.3	37%	0.371	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	60.6	-158.3	175.7	0	0	0	0	0	114.6	D57	G55-D57 PolarHBondContact O-N 3.43Å
56	E	46.2	Very low	42.1	Very low	36 Å²	36	65.2 Å²	65.2	17%	0.168	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-66.9	1.4	-176.8	-46.6	-173.5	127.9	0	0	112.9	S289 R290 H293	E56-S289 PolarHBondContact OE1-N 3.18Å; E56-S289 PolarHBondContact OE1-OG 2.88Å; E56-S289 WeakPolarHBondContact OE2-CB 3.16Å; E56-S289 PolarHBondContact OE2-N 3Å; E56-S289 VanDerWaalsContact OE2-N 3.09Å; E56-S289 PolarHBondContact OE2-OG 3.38Å; E56-R290 PolarHBondContact OE1-N 2.86Å; E56-H293 VanDerWaalsContact CG-CD2 3.49Å; E56-H293 WeakPolarHBondContact CG-CD2 3.36Å; E56-H293 IonicContact OE1-CD2 3.31Å; E56-H293 PolarHBondContact OE1-CD2 3.34Å; E56-H293 IonicContact OE1-CG 2.97Å
57	D	47.4	Very low	41.8	Very low	60 Å²	60	63.1 Å²	63.1	32%	0.321	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-82.3	-34.2	-166.9	-83.2	-48.6	0	0	0	114.8	G55 D59 L80 K272	G55-D57 PolarHBondContact O-N 3.43Å; D57-D59 VanDerWaalsContact C-N 3.33Å; D57-D59 PolarHBondContact O-N 3.37Å; D57-L80 HydrophobicContact CB-CD1 4.46Å; D57-K272 PolarHBondContact O-NZ 3.43Å; D57-K272 WeakPolarHBondContact OD1-CE 3.48Å; D57-K272 IonicContact OD1-NZ 2.9Å; D57-K272 PolarHBondContact OD1-NZ 3.39Å
58	L	45.6	Very low	41.5	Very low	23 Å²	23	66.5 Å²	66.5	12%	0.12	34%	0.344	C	S	.	.	H	α-helix	trans	-68.5	-30	-176.9	-161	81.4	0	0	0	113.7	L43 I50 C60 F61 L62	L43-L58 HydrophobicContact CD1-CD1 4.41Å; L43-L58 HydrophobicContact CD2-CD1 3.87Å; L43-L58 HydrophobicContact CD2-CD2 4.48Å; I50-L58 HydrophobicContact CB-CD2 3.8Å; I50-L58 HydrophobicContact CD1-CD2 4.25Å; I50-L58 HydrophobicContact CG2-CB 4.43Å; I50-L58 HydrophobicContact CG2-CD1 3.89Å; I50-L58 HydrophobicContact CG2-CD2 3.3Å; I50-L58 HydrophobicContact CG2-CG 4.04Å; L58-C60 VanDerWaalsContact C-N 3.25Å; L58-C60 PolarHBondContact O-N 3.12Å; L58-F61 WeakPolarHBondContact O-CA 3.43Å; L58-F61 VanDerWaalsContact O-CB 3.28Å; L58-F61 WeakPolarHBondContact O-CB 3.24Å; L58-F61 PolarHBondContact O-N 3.02Å; L58-L62 HydrophobicContact CD2-CD1 3.96Å; L58-L62 HydrophobicContact CD2-CG 4.44Å; L58-L62 HydrophobicContact CG-CD1 4.3Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 PolarHBondContact O-N 3.01Å
59	D	47	Very low	41	Very low	37 Å²	37	58.6 Å²	58.6	20%	0.198	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-25	-174.3	-109.2	-51.3	0	0	0	113.3	D57 H63 R290	D57-D59 VanDerWaalsContact C-N 3.33Å; D57-D59 PolarHBondContact O-N 3.37Å; D59-H63 WeakPolarHBondContact O-CB 3.43Å; D59-H63 PolarHBondContact O-CD2 3.4Å; D59-H63 IonicContact OD1-CD2 3.63Å; D59-H63 IonicContact OD1-NE2 2.98Å; D59-R290 IonicContact OD1-NH1 2.74Å; D59-R290 IonicContact OD2-CZ 3.14Å; D59-R290 IonicContact OD2-NH1 3.76Å; D59-R290 PolarHBondContact OD2-NH1 3.45Å; D59-R290 IonicContact OD2-NH2 3.7Å; D59-R290 PolarHBondContact OD2-NH2 3.34Å
60	C	47.4	Very low	40.8	Very low	6 Å²	6	53.9 Å²	53.9	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-78.2	-33.3	171.6	-67	0	0	0	0	111.4	L58 H63 A64 K272	L58-C60 VanDerWaalsContact C-N 3.25Å; L58-C60 PolarHBondContact O-N 3.12Å; C60-H63 PolarHBondContact O-N 3.34Å; C60-A64 WeakPolarHBondContact O-CB 3.37Å; C60-A64 PolarHBondContact O-N 3.37Å; C60-K272 HydrophobicContact CB-CD 4.5Å; C60-K272 WeakPolarHBondContact SG-CE 3.42Å
61	F	43.5	Very low	40.8	Very low	48 Å²	48	56.6 Å²	56.6	21%	0.211	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-43.5	175.7	-172	-92.1	0	0	0	111.2	L43 L58 H63 W258	L43-F61 HydrophobicContact CD1-CD1 4.44Å; L43-F61 HydrophobicContact CD1-CE1 4.02Å; L58-F61 WeakPolarHBondContact O-CA 3.43Å; L58-F61 VanDerWaalsContact O-CB 3.28Å; L58-F61 WeakPolarHBondContact O-CB 3.24Å; L58-F61 PolarHBondContact O-N 3.02Å; F61-H63 PolarHBondContact O-N 3.43Å; F61-W258 AromaticContact CD2-CH2 3.7Å; F61-W258 HydrophobicContact CD2-CH2 3.7Å; F61-W258 HydrophobicContact CD2-CZ2 4.4Å; F61-W258 HydrophobicContact CE2-CH2 4.28Å; F61-W258 HydrophobicContact CG-CH2 4.42Å
62	L	47.4	Very low	40.7	Very low	64 Å²	64	59.5 Å²	59.5	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-70.1	-26.4	180	-68.2	173.9	0	0	0	114.6	Q44 L58	Q44-L62 HydrophobicContact CG-CD2 4.43Å; L58-L62 HydrophobicContact CD2-CD1 3.96Å; L58-L62 HydrophobicContact CD2-CG 4.44Å; L58-L62 HydrophobicContact CG-CD1 4.3Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 PolarHBondContact O-N 3.01Å
63	H	50.1	Low	40.4	Very low	74 Å²	74	52.6 Å²	52.6	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-107.8	-11.6	-172.1	-73.5	-57.9	0	0	0	114.8	D59 C60 F61 R268	D59-H63 WeakPolarHBondContact O-CB 3.43Å; D59-H63 PolarHBondContact O-CD2 3.4Å; D59-H63 IonicContact OD1-CD2 3.63Å; D59-H63 IonicContact OD1-NE2 2.98Å; C60-H63 PolarHBondContact O-N 3.34Å; F61-H63 PolarHBondContact O-N 3.43Å; H63-R268 PolarHBondContact CD2-NH2 3.46Å
64	A	47	Very low	40.5	Very low	5 Å²	5	50.4 Å²	50.4	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	165	-179.7	0	0	0	0	0	111.2	C60 K247 W258 R259 F260	C60-A64 WeakPolarHBondContact O-CB 3.37Å; C60-A64 PolarHBondContact O-N 3.37Å; A64-K247 PolarHBondContact O-NZ 3.28Å; A64-K247 VanDerWaalsContact O-NZ 3.15Å; A64-W258 HydrophobicContact CB-CD2 4.19Å; A64-W258 HydrophobicContact CB-CE3 3.17Å; A64-W258 HydrophobicContact CB-CZ3 3.6Å; A64-R259 WeakPolarHBondContact CA-O 3.36Å; A64-F260 HydrophobicContact CB-CD1 3.79Å; A64-F260 HydrophobicContact CB-CE1 3.37Å; A64-F260 HydrophobicContact CB-CZ 3.73Å
65	S	44.4	Very low	40.5	Very low	49 Å²	49	53.4 Å²	53.4	34%	0.343	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.4	169.2	-112.9	0	0	0	0	108	K247 R259	S65-K247 VanDerWaalsContact CB-CD 3.44Å; S65-K247 PolarHBondContact OG-NZ 3.06Å; S65-R259 PolarHBondContact N-O 3.47Å; S65-R259 VanDerWaalsContact N-O 3.15Å
66	P	39.4	Very low	40.1	Very low	56 Å²	56	57.3 Å²	57.3	36%	0.364	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-61.6	141.6	162.2	27	-30.4	0	0	0	108.5
67	P	34.7	Very low	39.5	Very low	24 Å²	24	57.9 Å²	57.9	16%	0.156	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-59.6	166.2	166.4	27.4	-32.9	0	0	0	109.8	C69	P67-C69 HydrophobicContact CB-CB 4.45Å; P67-C69 HydrophobicContact CG-CB 4.31Å; P67-C69 PolarHBondContact O-N 3Å
68	P	33.7	Very low	39	Very low	138 Å²	138	59.7 Å²	59.7	90%	0.896	31%	0.308	S	S	*	.	S	Bend	trans	-64.2	26.8	170.2	28.4	-34.3	0	0	0	114.1
69	C	28.6	Very low	38.5	Very low	54 Å²	54	62.4 Å²	62.4	37%	0.365	33%	0.327	S	S	.	.			trans	-133.3	58.3	-174.8	-34.6	0	0	0	0	108.1	P67 E71 E72	P67-C69 HydrophobicContact CB-CB 4.45Å; P67-C69 HydrophobicContact CG-CB 4.31Å; P67-C69 PolarHBondContact O-N 3Å; C69-E71 PolarHBondContact O-N 3.44Å; C69-E72 HydrophobicContact CB-CB 4.44Å; C69-E72 PolarHBondContact O-N 3.35Å
70	I	31.7	Very low	37.8	Very low	64 Å²	64	64.4 Å²	64.4	33%	0.328	34%	0.338	S	S	.	.	H	α-helix	trans	-46.9	-34.9	178.5	-63.3	171.4	0	0	0	110.2	E72 S73 F74	I70-E72 PolarHBondContact O-N 3.07Å; I70-S73 PolarHBondContact O-N 2.97Å; I70-F74 HydrophobicContact CG2-CD2 3.75Å; I70-F74 HydrophobicContact CG2-CE2 3.49Å; I70-F74 VanDerWaalsContact CG2-CE2 3.49Å; I70-F74 VanDerWaalsContact O-CD2 3.24Å; I70-F74 WeakPolarHBondContact O-CD2 3.42Å; I70-F74 PolarHBondContact O-N 3.39Å
71	E	33.4	Very low	37.1	Very low	64 Å²	64	64.7 Å²	64.7	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-44.4	-50.6	169.1	-116.6	171.9	152.8	0	0	116.4	Q14 H17 C69 S73 F74 R75	Q14-E71 VanDerWaalsContact NE2-CG 3.27Å; H17-E71 IonicContact CE1-OE1 3.12Å; H17-E71 PolarHBondContact CE1-OE1 3.47Å; H17-E71 IonicContact CE1-OE2 3.93Å; H17-E71 PolarHBondContact CE1-OE2 2.94Å; H17-E71 VanDerWaalsContact CE1-OE2 3.31Å; H17-E71 IonicContact ND1-OE1 2.75Å; H17-E71 PolarHBondContact ND1-OE1 2.67Å; H17-E71 IonicContact ND1-OE2 2.72Å; C69-E71 PolarHBondContact O-N 3.44Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 2.98Å; E71-F74 PolarHBondContact O-N 3.22Å; E71-R75 PolarHBondContact O-N 3.24Å; E71-R75 VanDerWaalsContact O-N 3.12Å
72	E	34.7	Very low	36.6	Very low	100 Å²	100	67.8 Å²	67.8	47%	0.467	36%	0.357	S	S	.	.	H	α-helix	trans	-77.8	-24.3	-170.6	-160.8	67.3	-155.8	0	0	111.8	C69 I70 R76	C69-E72 HydrophobicContact CB-CB 4.44Å; C69-E72 PolarHBondContact O-N 3.35Å; I70-E72 PolarHBondContact O-N 3.07Å; E72-R76 PolarHBondContact O-N 3.16Å
73	S	33.1	Very low	35.7	Very low	11 Å²	11	68.4 Å²	68.4	8%	0.077	37%	0.365	C	S	.	.	H	α-helix	trans	-76.2	-31.1	175.4	-60.1	0	0	0	0	111.6	I70 E71 R76 L77	I70-S73 PolarHBondContact O-N 2.97Å; E71-S73 VanDerWaalsContact C-N 3.33Å; E71-S73 PolarHBondContact O-N 2.98Å; S73-R76 PolarHBondContact O-N 3.34Å; S73-L77 PolarHBondContact O-N 3.15Å
74	F	33.6	Very low	34.7	Very low	41 Å²	41	66 Å²	66	18%	0.18	36%	0.356	C	S	.	.	H	α-helix	trans	-73.2	-37.5	172	-81.5	-72.9	0	0	0	112.5	F10 I70 E71 R76 L77 D78	F10-F74 HydrophobicContact CD1-CD1 4.2Å; F10-F74 AromaticContact CD1-CE1 3.99Å; F10-F74 HydrophobicContact CD1-CE1 3.99Å; F10-F74 HydrophobicContact CD1-CZ 4.49Å; F10-F74 HydrophobicContact CD2-CZ 4.35Å; F10-F74 HydrophobicContact CE1-CB 4.29Å; F10-F74 AromaticContact CE1-CD1 3.21Å; F10-F74 HydrophobicContact CE1-CD1 3.21Å; F10-F74 HydrophobicContact CE1-CD2 4.06Å; F10-F74 AromaticContact CE1-CE1 3.33Å; F10-F74 HydrophobicContact CE1-CE1 3.33Å; F10-F74 HydrophobicContact CE1-CE2 4.16Å; F10-F74 AromaticContact CE1-CG 3.61Å; F10-F74 HydrophobicContact CE1-CG 3.61Å; F10-F74 AromaticContact CE1-CZ 3.82Å; F10-F74 HydrophobicContact CE1-CZ 3.82Å; F10-F74 HydrophobicContact CE2-CD1 4.44Å; F10-F74 HydrophobicContact CE2-CD2 4.07Å; F10-F74 HydrophobicContact CE2-CE1 4.04Å; F10-F74 AromaticContact CE2-CE2 3.65Å; F10-F74 HydrophobicContact CE2-CE2 3.65Å; F10-F74 HydrophobicContact CE2-CG 4.45Å; F10-F74 AromaticContact CE2-CZ 3.63Å; F10-F74 HydrophobicContact CE2-CZ 3.63Å; F10-F74 HydrophobicContact CZ-CB 4.19Å; F10-F74 AromaticContact CZ-CD1 3.39Å; F10-F74 HydrophobicContact CZ-CD1 3.39Å; F10-F74 AromaticContact CZ-CD2 3.31Å; F10-F74 HydrophobicContact CZ-CD2 3.31Å; F10-F74 AromaticContact CZ-CE1 3.38Å; F10-F74 HydrophobicContact CZ-CE1 3.38Å; F10-F74 AromaticContact CZ-CE2 3.33Å; F10-F74 HydrophobicContact CZ-CE2 3.33Å; F10-F74 AromaticContact CZ-CG 3.35Å; F10-F74 HydrophobicContact CZ-CG 3.35Å; F10-F74 AromaticContact CZ-CZ 3.36Å; F10-F74 HydrophobicContact CZ-CZ 3.36Å; I70-F74 HydrophobicContact CG2-CD2 3.75Å; I70-F74 HydrophobicContact CG2-CE2 3.49Å; I70-F74 VanDerWaalsContact CG2-CE2 3.49Å; I70-F74 VanDerWaalsContact O-CD2 3.24Å; I70-F74 WeakPolarHBondContact O-CD2 3.42Å; I70-F74 PolarHBondContact O-N 3.39Å; E71-F74 PolarHBondContact O-N 3.22Å; F74-R76 PolarHBondContact O-N 3.25Å; F74-L77 HydrophobicContact CD1-CD1 4.02Å; F74-L77 HydrophobicContact CE1-CD1 4.3Å; F74-L77 WeakPolarHBondContact O-CB 3.35Å; F74-L77 PolarHBondContact O-N 2.94Å; F74-D78 PolarHBondContact O-N 3.24Å; F74-D78 VanDerWaalsContact O-N 3.1Å
75	R	36.3	Very low	33.9	Very low	132 Å²	132	70.6 Å²	70.6	50%	0.498	38%	0.376	S	S	.	.	H	α-helix	trans	-59.7	-25.2	170.1	-75.4	-171.8	176.7	177.1	1.1	114.3	D18 E71	D18-R75 IonicContact OD2-CZ 3.98Å; D18-R75 IonicContact OD2-NE 3.9Å; D18-R75 IonicContact OD2-NH2 3.95Å; D18-R75 PolarHBondContact OD2-NH2 3.25Å; E71-R75 PolarHBondContact O-N 3.24Å; E71-R75 VanDerWaalsContact O-N 3.12Å
76	R	36.4	Very low	33.1	Very low	117 Å²	117	70.9 Å²	70.9	44%	0.442	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-15.9	174.2	-74.8	-174.9	159.7	172.4	0.3	114.2	E72 S73 F74 P79 G255	E72-R76 PolarHBondContact O-N 3.16Å; S73-R76 PolarHBondContact O-N 3.34Å; F74-R76 PolarHBondContact O-N 3.25Å; R76-P79 WeakPolarHBondContact O-CD 3.44Å; R76-G255 VanDerWaalsContact CZ-O 3.27Å; R76-G255 PolarHBondContact NH1-O 3.01Å; R76-G255 PolarHBondContact NH2-O 2.89Å
77	L	34	Very low	32.6	Very low	48 Å²	48	70.9 Å²	70.9	25%	0.251	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-29.4	171.8	-83.6	157.5	0	0	0	111.3	S73 F74 L80 L81	S73-L77 PolarHBondContact O-N 3.15Å; F74-L77 HydrophobicContact CD1-CD1 4.02Å; F74-L77 HydrophobicContact CE1-CD1 4.3Å; F74-L77 WeakPolarHBondContact O-CB 3.35Å; F74-L77 PolarHBondContact O-N 2.94Å; L77-L80 CarbonylContact O-C 3.5Å; L77-L80 WeakPolarHBondContact O-CA 3.44Å; L77-L80 WeakPolarHBondContact O-CB 3.45Å; L77-L80 PolarHBondContact O-N 3.41Å; L77-L81 HydrophobicContact CB-CD1 4.11Å; L77-L81 WeakPolarHBondContact O-CD1 3.37Å; L77-L81 PolarHBondContact O-N 3.09Å; L77-L81 VanDerWaalsContact O-N 3.09Å
78	D	37.1	Very low	32.3	Very low	98 Å²	98	73 Å²	73	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-47.2	-46.6	177.8	-122	3.7	0	0	0	114.2	F74 L80 L81	F74-D78 PolarHBondContact O-N 3.24Å; F74-D78 VanDerWaalsContact O-N 3.1Å; D78-L80 VanDerWaalsContact C-N 3.27Å; D78-L80 PolarHBondContact O-N 3.41Å; D78-L81 PolarHBondContact O-N 3.37Å
79	P	33.9	Very low	32.1	Very low	80 Å²	80	69.6 Å²	69.6	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-72.4	-17.3	177.2	-17	32	0	0	0	114.3	R76	R76-P79 WeakPolarHBondContact O-CD 3.44Å
80	L	32.3	Very low	32.2	Very low	79 Å²	79	75.2 Å²	75.2	41%	0.414	40%	0.395	S	S	.	.	H	α-helix	trans	-95	-4.5	178.8	-62.4	176.1	0	0	0	112.8	D57 L77 D78 P83	D57-L80 HydrophobicContact CB-CD1 4.46Å; L77-L80 CarbonylContact O-C 3.5Å; L77-L80 WeakPolarHBondContact O-CA 3.44Å; L77-L80 WeakPolarHBondContact O-CB 3.45Å; L77-L80 PolarHBondContact O-N 3.41Å; D78-L80 VanDerWaalsContact C-N 3.27Å; D78-L80 PolarHBondContact O-N 3.41Å; L80-P83 VanDerWaalsContact C-CD 3.42Å; L80-P83 WeakPolarHBondContact O-CD 3.32Å
81	L	34.4	Very low	32.2	Very low	13 Å²	13	81.5 Å²	81.5	7%	0.068	42%	0.42	C	S	.	.	H	α-helix	trans	-93.2	-24.9	173.5	-86.2	139.7	0	0	0	113	Y7 F54 L77 D78 P83 V84 E85	Y7-L81 HydrophobicContact CE1-CD2 3.7Å; Y7-L81 HydrophobicContact CE2-CD1 3.96Å; Y7-L81 HydrophobicContact CE2-CD2 3.95Å; Y7-L81 WeakPolarHBondContact OH-CD1 3.47Å; Y7-L81 VanDerWaalsContact OH-CD2 3.28Å; Y7-L81 WeakPolarHBondContact OH-CD2 3.39Å; F54-L81 HydrophobicContact CE1-CD2 4.4Å; L77-L81 HydrophobicContact CB-CD1 4.11Å; L77-L81 WeakPolarHBondContact O-CD1 3.37Å; L77-L81 PolarHBondContact O-N 3.09Å; L77-L81 VanDerWaalsContact O-N 3.09Å; D78-L81 PolarHBondContact O-N 3.37Å; L81-P83 VanDerWaalsContact C-CD 3.45Å; L81-P83 VanDerWaalsContact C-N 3.31Å; L81-V84 WeakPolarHBondContact O-CA 3.46Å; L81-V84 WeakPolarHBondContact O-CB 3.41Å; L81-V84 PolarHBondContact O-N 2.93Å; L81-E85 WeakPolarHBondContact O-CG 3.21Å; L81-E85 PolarHBondContact O-N 3.42Å
82	L	31.9	Very low	32.2	Very low	113 Å²	113	80.5 Å²	80.5	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-53.6	-38.2	169.3	-68.4	166.7	0	0	0	113.6	A86	L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.77Å
83	P	28.3	Very low	32.3	Very low	76 Å²	76	78.5 Å²	78.5	49%	0.494	42%	0.417	S	S	.	.	H	α-helix	trans	-73.7	-26.6	172.7	-17.1	32.3	0	0	0	114.2	L80 L81 A86 A87	L80-P83 VanDerWaalsContact C-CD 3.42Å; L80-P83 WeakPolarHBondContact O-CD 3.32Å; L81-P83 VanDerWaalsContact C-CD 3.45Å; L81-P83 VanDerWaalsContact C-N 3.31Å; P83-A86 PolarHBondContact O-N 2.93Å; P83-A87 WeakPolarHBondContact O-CB 3.46Å; P83-A87 PolarHBondContact O-N 3.04Å
84	V	29.1	Very low	32.3	Very low	25 Å²	25	80.5 Å²	80.5	15%	0.152	44%	0.435	C	S	.	.	H	α-helix	trans	-73.8	-40.4	175.3	178.8	0	0	0	0	109.6	F54 L81 A86 A87 I88	F54-V84 HydrophobicContact CD1-CG2 4.35Å; F54-V84 HydrophobicContact CE1-CG2 4.21Å; L81-V84 WeakPolarHBondContact O-CA 3.46Å; L81-V84 WeakPolarHBondContact O-CB 3.41Å; L81-V84 PolarHBondContact O-N 2.93Å; V84-A86 VanDerWaalsContact C-N 3.33Å; V84-A87 PolarHBondContact O-N 3.12Å; V84-I88 HydrophobicContact CG1-CD1 4.1Å; V84-I88 WeakPolarHBondContact O-CD1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.34Å; V84-I88 PolarHBondContact O-N 3.22Å
85	E	29.9	Very low	32.3	Very low	101 Å²	101	80.8 Å²	80.8	47%	0.472	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-39.8	168.6	-68.7	178.8	160.3	0	0	111.6	L81 I88 C89	L81-E85 WeakPolarHBondContact O-CG 3.21Å; L81-E85 PolarHBondContact O-N 3.42Å; E85-I88 PolarHBondContact O-N 3.33Å; E85-C89 WeakPolarHBondContact O-CB 3.5Å; E85-C89 PolarHBondContact O-N 3.04Å
86	A	29.4	Very low	32.5	Very low	55 Å²	55	78.2 Å²	78.2	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-67.3	-35.9	174.5	0	0	0	0	0	113.5	L82 P83 V84 C89 E90	L82-A86 WeakPolarHBondContact O-CB 3.46Å; L82-A86 PolarHBondContact O-N 2.77Å; P83-A86 PolarHBondContact O-N 2.93Å; V84-A86 VanDerWaalsContact C-N 3.33Å; A86-C89 VanDerWaalsContact O-CB 3.22Å; A86-C89 WeakPolarHBondContact O-CB 3.37Å; A86-C89 PolarHBondContact O-N 2.8Å; A86-E90 PolarHBondContact O-N 3.13Å
87	A	27.7	Very low	32.5	Very low	56 Å²	56	75.8 Å²	75.8	46%	0.463	43%	0.43	S	S	.	.	H	α-helix	trans	-75.2	-27.2	176.9	0	0	0	0	0	113.1	P83 V84 C89	P83-A87 WeakPolarHBondContact O-CB 3.46Å; P83-A87 PolarHBondContact O-N 3.04Å; V84-A87 PolarHBondContact O-N 3.12Å; A87-C89 VanDerWaalsContact C-N 3.34Å
88	I	28.1	Very low	32.7	Very low	69 Å²	69	76.2 Å²	76.2	35%	0.354	43%	0.433	S	S	.	.	H	α-helix	trans	-72.7	-32.8	168.9	-66	164.5	0	0	0	109.9	L4 V84 E85 E90 K91 S92 I97	L4-I88 HydrophobicContact CD2-CD1 4.43Å; V84-I88 HydrophobicContact CG1-CD1 4.1Å; V84-I88 WeakPolarHBondContact O-CD1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.34Å; V84-I88 PolarHBondContact O-N 3.22Å; E85-I88 PolarHBondContact O-N 3.33Å; I88-E90 VanDerWaalsContact C-N 3.32Å; I88-E90 PolarHBondContact O-N 2.88Å; I88-K91 PolarHBondContact O-N 3.36Å; I88-S92 PolarHBondContact O-N 3.26Å; I88-I97 HydrophobicContact CG2-CD1 3.88Å
89	C	31.1	Very low	33	Very low	66 Å²	66	75 Å²	75	45%	0.446	43%	0.426	S	S	.	.	H	α-helix	trans	-66.5	-25.2	175.3	-141.4	0	0	0	0	113.9	E85 A86 A87 K91	E85-C89 WeakPolarHBondContact O-CB 3.5Å; E85-C89 PolarHBondContact O-N 3.04Å; A86-C89 VanDerWaalsContact O-CB 3.22Å; A86-C89 WeakPolarHBondContact O-CB 3.37Å; A86-C89 PolarHBondContact O-N 2.8Å; A87-C89 VanDerWaalsContact C-N 3.34Å; C89-K91 PolarHBondContact O-N 2.88Å
90	E	30.4	Very low	33.5	Very low	171 Å²	171	74.6 Å²	74.6	80%	0.799	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.3	173.8	-79.4	-169.7	161.8	0	0	113.5	A86 I88	A86-E90 PolarHBondContact O-N 3.13Å; I88-E90 VanDerWaalsContact C-N 3.32Å; I88-E90 PolarHBondContact O-N 2.88Å
91	K	31.1	Very low	34	Very low	196 Å²	196	76.9 Å²	76.9	85%	0.852	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-9.5	-172.8	-67.8	-171.8	178.1	-179.4	0	115.3	I88 C89	I88-K91 PolarHBondContact O-N 3.36Å; C89-K91 PolarHBondContact O-N 2.88Å
92	S	32.4	Very low	34.5	Very low	43 Å²	43	78.1 Å²	78.1	30%	0.301	44%	0.435	S	S	.	.	S	Bend	trans	-139.5	136.3	-179.7	-168.3	0	0	0	0	108.5	I88 A94	I88-S92 PolarHBondContact O-N 3.26Å; S92-A94 PolarHBondContact O-N 3.4Å
93	S	37.7	Very low	35.3	Very low	58 Å²	58	78.9 Å²	78.9	41%	0.406	43%	0.433	S	S	.	.			trans	-61.3	137.9	-179	80.6	0	0	0	0	108.4	V95 D96	S93-V95 PolarHBondContact O-N 2.84Å; S93-D96 WeakPolarHBondContact CB-OD2 3.13Å; S93-D96 PolarHBondContact N-OD2 3.4Å; S93-D96 PolarHBondContact O-N 3.13Å; S93-D96 VanDerWaalsContact OG-CG 3.3Å; S93-D96 PolarHBondContact OG-N 2.95Å; S93-D96 PolarHBondContact OG-OD2 3.24Å
94	A	32.7	Very low	35.9	Very low	54 Å²	54	79.5 Å²	79.5	45%	0.446	43%	0.432	S	S	.	.	H	α-helix	trans	-50.5	-22.4	176.6	0	0	0	0	0	112.8	S92 L98	S92-A94 PolarHBondContact O-N 3.4Å; A94-L98 WeakPolarHBondContact O-CB 3.45Å; A94-L98 WeakPolarHBondContact O-CD1 3.41Å; A94-L98 WeakPolarHBondContact O-CG 3.38Å; A94-L98 PolarHBondContact O-N 3.42Å
95	V	34.7	Very low	36.5	Very low	46 Å²	46	79.5 Å²	79.5	28%	0.279	43%	0.431	S	S	.	.	H	α-helix	trans	-69.6	-41.4	175.6	-173.7	0	0	0	0	112.4	S93 I97 L98 L99 E143	S93-V95 PolarHBondContact O-N 2.84Å; V95-I97 VanDerWaalsContact C-N 3.35Å; V95-I97 PolarHBondContact O-N 2.97Å; V95-L98 PolarHBondContact O-N 3.45Å; V95-L99 HydrophobicContact CG1-CD1 3.83Å; V95-L99 WeakPolarHBondContact O-CB 3.35Å; V95-L99 WeakPolarHBondContact O-CD1 3.3Å; V95-L99 WeakPolarHBondContact O-CG 3.1Å; V95-L99 PolarHBondContact O-N 2.73Å; V95-E143 WeakPolarHBondContact CG1-OE2 3.38Å
96	D	39.4	Very low	37.1	Very low	78 Å²	78	77 Å²	77	42%	0.417	42%	0.424	S	S	.	.	H	α-helix	trans	-67.8	-36	180	-65	-54.3	0	0	0	112.2	S93 S100	S93-D96 WeakPolarHBondContact CB-OD2 3.13Å; S93-D96 PolarHBondContact N-OD2 3.4Å; S93-D96 PolarHBondContact O-N 3.13Å; S93-D96 VanDerWaalsContact OG-CG 3.3Å; S93-D96 PolarHBondContact OG-N 2.95Å; S93-D96 PolarHBondContact OG-OD2 3.24Å; D96-S100 WeakPolarHBondContact O-CB 3.49Å; D96-S100 PolarHBondContact O-N 2.95Å; D96-S100 PolarHBondContact O-OG 2.92Å
97	I	36	Very low	37.8	Very low	66 Å²	66	79.4 Å²	79.4	34%	0.338	43%	0.426	S	S	.	.	H	α-helix	trans	-68.3	-43.3	175.8	-58.7	173	0	0	0	109.8	I88 V95 S100 R101	I88-I97 HydrophobicContact CG2-CD1 3.88Å; V95-I97 VanDerWaalsContact C-N 3.35Å; V95-I97 PolarHBondContact O-N 2.97Å; I97-S100 PolarHBondContact O-N 3.44Å; I97-R101 WeakPolarHBondContact O-CB 3.49Å; I97-R101 PolarHBondContact O-N 3.45Å
98	L	39.4	Very low	38.2	Very low	57 Å²	57	80 Å²	80	30%	0.298	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-42.1	176.4	-71.8	169.4	0	0	0	112.3	A94 V95 R101 D102	A94-L98 WeakPolarHBondContact O-CB 3.45Å; A94-L98 WeakPolarHBondContact O-CD1 3.41Å; A94-L98 WeakPolarHBondContact O-CG 3.38Å; A94-L98 PolarHBondContact O-N 3.42Å; V95-L98 PolarHBondContact O-N 3.45Å; L98-R101 PolarHBondContact O-N 3.18Å; L98-D102 PolarHBondContact O-N 2.99Å
99	L	43.7	Very low	38.5	Very low	72 Å²	72	78.3 Å²	78.3	38%	0.377	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-39.8	175.3	-84.6	155.8	0	0	0	112.4	V95 K103	V95-L99 HydrophobicContact CG1-CD1 3.83Å; V95-L99 WeakPolarHBondContact O-CB 3.35Å; V95-L99 WeakPolarHBondContact O-CD1 3.3Å; V95-L99 WeakPolarHBondContact O-CG 3.1Å; V95-L99 PolarHBondContact O-N 2.73Å; L99-K103 WeakPolarHBondContact O-CB 3.4Å; L99-K103 PolarHBondContact O-N 2.91Å
100	S	44.7	Very low	38.9	Very low	72 Å²	72	82.4 Å²	82.4	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-39.1	177.4	-61.2	0	0	0	0	111.6	D96 I97 L104	D96-S100 WeakPolarHBondContact O-CB 3.49Å; D96-S100 PolarHBondContact O-N 2.95Å; D96-S100 PolarHBondContact O-OG 2.92Å; I97-S100 PolarHBondContact O-N 3.44Å; S100-L104 PolarHBondContact O-N 3.26Å
101	R	42.9	Very low	39.3	Very low	128 Å²	128	79.1 Å²	79.1	48%	0.483	43%	0.431	S	S	.	.	H	α-helix	trans	-67.6	-40.9	176.8	-154.7	178.9	94.7	160.4	8.5	112.1	I97 L98 L104 L105	I97-R101 WeakPolarHBondContact O-CB 3.49Å; I97-R101 PolarHBondContact O-N 3.45Å; L98-R101 PolarHBondContact O-N 3.18Å; R101-L104 PolarHBondContact O-N 3.1Å; R101-L105 VanDerWaalsContact O-CG 3.3Å; R101-L105 WeakPolarHBondContact O-CG 3.48Å; R101-L105 PolarHBondContact O-N 2.87Å
102	D	43.7	Very low	39.5	Very low	38 Å²	38	74.7 Å²	74.7	20%	0.203	42%	0.416	C	S	.	.	H	α-helix	trans	-69.8	-35.3	177.1	-168.5	74.6	0	0	0	113.1	L98 L104 L105 S106 H147	L98-D102 PolarHBondContact O-N 2.99Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 2.92Å; D102-L105 PolarHBondContact O-N 3.19Å; D102-S106 VanDerWaalsContact O-CB 3.31Å; D102-S106 WeakPolarHBondContact O-CB 3.45Å; D102-S106 PolarHBondContact O-N 3.3Å; D102-S106 PolarHBondContact O-OG 3.48Å; D102-H147 WeakPolarHBondContact CB-CE1 3.46Å; D102-H147 WeakPolarHBondContact CB-NE2 3.05Å; D102-H147 IonicContact OD1-CE1 3.89Å; D102-H147 PolarHBondContact OD1-CE1 3.34Å; D102-H147 IonicContact OD1-NE2 3Å; D102-H147 IonicContact OD2-CD2 2.7Å; D102-H147 IonicContact OD2-CE1 3.63Å; D102-H147 PolarHBondContact OD2-CE1 2.93Å; D102-H147 IonicContact OD2-NE2 3.06Å; D102-H147 PolarHBondContact OD2-NE2 3.27Å
103	K	48	Very low	39.7	Very low	130 Å²	130	81.2 Å²	81.2	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-58.3	-48.8	173.7	-171.8	-179.7	175.8	-170	0	110.8	L99 L105 S106 E107	L99-K103 WeakPolarHBondContact O-CB 3.4Å; L99-K103 PolarHBondContact O-N 2.91Å; K103-L105 PolarHBondContact O-N 3.42Å; K103-S106 PolarHBondContact O-N 3.47Å; K103-S106 PolarHBondContact O-OG 2.84Å; K103-E107 WeakPolarHBondContact CE-OE1 3.28Å; K103-E107 WeakPolarHBondContact O-CG 3.1Å; K103-E107 PolarHBondContact O-N 3.38Å
104	L	41.6	Very low	39.7	Very low	89 Å²	89	84.4 Å²	84.4	47%	0.466	46%	0.461	S	S	.	.	H	α-helix	trans	-60	-43.8	175.5	-77.8	162.6	0	0	0	112.1	S100 R101 D102 E107 T108	S100-L104 PolarHBondContact O-N 3.26Å; R101-L104 PolarHBondContact O-N 3.1Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 2.92Å; L104-E107 PolarHBondContact O-N 2.87Å; L104-T108 WeakPolarHBondContact O-CB 2.89Å; L104-T108 PolarHBondContact O-N 2.92Å; L104-T108 PolarHBondContact O-OG1 2.74Å
105	L	42.3	Very low	39.7	Very low	24 Å²	24	85.6 Å²	85.6	13%	0.126	47%	0.471	C	S	.	.	H	α-helix	trans	-65.4	-39.7	177.1	-73.5	170.6	0	0	0	112.7	R101 D102 K103 T108 C109	R101-L105 VanDerWaalsContact O-CG 3.3Å; R101-L105 WeakPolarHBondContact O-CG 3.48Å; R101-L105 PolarHBondContact O-N 2.87Å; D102-L105 PolarHBondContact O-N 3.19Å; K103-L105 PolarHBondContact O-N 3.42Å; L105-T108 PolarHBondContact O-N 3.35Å; L105-C109 VanDerWaalsContact O-CB 3.25Å; L105-C109 WeakPolarHBondContact O-CB 3.42Å; L105-C109 PolarHBondContact O-N 2.78Å; L105-C109 PolarHBondContact O-SG 3.38Å
106	S	43.1	Very low	39.7	Very low	48 Å²	48	89.8 Å²	89.8	34%	0.336	50%	0.502	S	S	.	.	H	α-helix	trans	-66.6	-40.8	178	73.2	0	0	0	0	112	D102 K103 L110	D102-S106 VanDerWaalsContact O-CB 3.31Å; D102-S106 WeakPolarHBondContact O-CB 3.45Å; D102-S106 PolarHBondContact O-N 3.3Å; D102-S106 PolarHBondContact O-OG 3.48Å; K103-S106 PolarHBondContact O-N 3.47Å; K103-S106 PolarHBondContact O-OG 2.84Å; S106-L110 WeakPolarHBondContact O-CB 3.26Å; S106-L110 WeakPolarHBondContact O-CD1 3.5Å; S106-L110 WeakPolarHBondContact O-CG 3.46Å; S106-L110 PolarHBondContact O-N 3.02Å
107	E	43	Very low	39.7	Very low	106 Å²	106	91.4 Å²	91.4	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-66.9	-38.9	175.1	-72.5	173.1	-177.6	0	0	111.1	K103 L104 S111	K103-E107 WeakPolarHBondContact CE-OE1 3.28Å; K103-E107 WeakPolarHBondContact O-CG 3.1Å; K103-E107 PolarHBondContact O-N 3.38Å; L104-E107 PolarHBondContact O-N 2.87Å; E107-S111 PolarHBondContact O-N 3.19Å
108	T	35.4	Very low	40.1	Very low	69 Å²	69	90.4 Å²	90.4	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-69.1	-42.6	177.1	-51.7	0	0	0	0	111.8	L104 L105 L110 S111 L112	L104-T108 WeakPolarHBondContact O-CB 2.89Å; L104-T108 PolarHBondContact O-N 2.92Å; L104-T108 PolarHBondContact O-OG1 2.74Å; L105-T108 PolarHBondContact O-N 3.35Å; T108-L110 VanDerWaalsContact C-N 3.35Å; T108-L110 PolarHBondContact O-N 3.24Å; T108-S111 PolarHBondContact O-N 3.4Å; T108-L112 HydrophobicContact CG2-CD1 4.18Å; T108-L112 WeakPolarHBondContact O-CD1 3.37Å; T108-L112 WeakPolarHBondContact O-CG 3.46Å; T108-L112 PolarHBondContact O-N 3.41Å
109	C	35.5	Very low	40.2	Very low	34 Å²	34	91.9 Å²	91.9	23%	0.23	53%	0.527	C	S	.	.	H	α-helix	trans	-66.7	-32.5	177.7	-72.9	0	0	0	0	113.1	L105 S111	L105-C109 VanDerWaalsContact O-CB 3.25Å; L105-C109 WeakPolarHBondContact O-CB 3.42Å; L105-C109 PolarHBondContact O-N 2.78Å; L105-C109 PolarHBondContact O-SG 3.38Å; C109-S111 VanDerWaalsContact C-N 3.34Å
110	L	39.9	Very low	40.1	Very low	152 Å²	152	95 Å²	95	80%	0.796	54%	0.544	S	S	*	.	H	α-helix	trans	-74.6	-23.5	176	-74	166.8	0	0	0	113	S106 T108	S106-L110 WeakPolarHBondContact O-CB 3.26Å; S106-L110 WeakPolarHBondContact O-CD1 3.5Å; S106-L110 WeakPolarHBondContact O-CG 3.46Å; S106-L110 PolarHBondContact O-N 3.02Å; T108-L110 VanDerWaalsContact C-N 3.35Å; T108-L110 PolarHBondContact O-N 3.24Å
111	S	37.6	Very low	40.1	Very low	101 Å²	101	93.8 Å²	93.8	71%	0.706	54%	0.535	S	S	*	.	H	α-helix	trans	-83.8	-24.5	178.4	-165.3	0	0	0	0	113	E107 T108 C109 Q113	E107-S111 PolarHBondContact O-N 3.19Å; T108-S111 PolarHBondContact O-N 3.4Å; C109-S111 VanDerWaalsContact C-N 3.34Å; S111-Q113 PolarHBondContact O-N 3.49Å; S111-Q113 VanDerWaalsContact O-N 3.13Å
112	L	36.2	Very low	40.2	Very low	103 Å²	103	90.4 Å²	90.4	54%	0.539	52%	0.522	S	S	.	.			trans	-82	87.4	178.9	-70.3	161.8	0	0	0	110.5	T108	T108-L112 HydrophobicContact CG2-CD1 4.18Å; T108-L112 WeakPolarHBondContact O-CD1 3.37Å; T108-L112 WeakPolarHBondContact O-CG 3.46Å; T108-L112 PolarHBondContact O-N 3.41Å
113	Q	36.5	Very low	40.5	Very low	180 Å²	180	89.9 Å²	89.9	84%	0.841	52%	0.521	S	S	*	.			trans	-62	137	165.5	-71	-172.2	-76.7	0	0	109.9	S111 A115	S111-Q113 PolarHBondContact O-N 3.49Å; S111-Q113 VanDerWaalsContact O-N 3.13Å; Q113-A115 PolarHBondContact O-N 3.05Å
114	P	36.7	Very low	40.7	Very low	125 Å²	125	86.4 Å²	86.4	81%	0.812	52%	0.516	S	S	*	.			trans	-71.6	98.5	-176.6	27.4	-31.6	0	0	0	110.2
115	A	33.6	Very low	40.9	Very low	80 Å²	80	86.1 Å²	86.1	66%	0.661	52%	0.518	S	S	*	.			trans	-70.6	128.8	159.8	0	0	0	0	0	108.3	Q113 S117	Q113-A115 PolarHBondContact O-N 3.05Å; A115-S117 PolarHBondContact O-N 2.93Å
116	S	35.4	Very low	41.3	Very low	133 Å²	133	85.8 Å²	85.8	93%	0.93	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	23.6	-158.3	50.1	0	0	0	0	119.3
117	S	38.8	Very low	42	Very low	113 Å²	113	86.7 Å²	86.7	79%	0.79	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.4	11.7	-173.2	58.8	0	0	0	0	116.3	A115	A115-S117 PolarHBondContact O-N 2.93Å
118	S	44.1	Very low	42.4	Very low	44 Å²	44	84.4 Å²	84.4	31%	0.308	52%	0.515	S	S	.	.			trans	-144.4	38.9	-178	101.6	0	0	0	0	115.4	D120 S121 Y122	S118-D120 PolarHBondContact O-N 3.45Å; S118-S121 WeakPolarHBondContact CB-OG 3.43Å; S118-S121 PolarHBondContact O-N 3.23Å; S118-S121 PolarHBondContact O-OG 3.32Å; S118-S121 PolarHBondContact OG-OG 2.81Å; S118-Y122 WeakPolarHBondContact O-CB 3.37Å; S118-Y122 PolarHBondContact O-N 2.95Å; S118-Y122 VanDerWaalsContact O-N 3.1Å
119	L	42	Very low	43	Very low	89 Å²	89	83.2 Å²	83.2	47%	0.466	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-35	173.7	-169.7	64.5	0	0	0	111.9	Y122 T123 V158	L119-Y122 PolarHBondContact O-N 2.79Å; L119-T123 WeakPolarHBondContact O-CB 3.38Å; L119-T123 WeakPolarHBondContact O-CG2 3.42Å; L119-T123 PolarHBondContact O-N 3.09Å; L119-T123 PolarHBondContact O-OG1 2.7Å; L119-V158 HydrophobicContact CD1-CG1 4.2Å
120	D	41.9	Very low	43.9	Very low	138 Å²	138	82.6 Å²	82.6	74%	0.738	50%	0.498	S	S	*	.	H	α-helix	trans	-69.9	-35.4	178.9	-66.7	-26	0	0	0	113.2	S118 T123 A124	S118-D120 PolarHBondContact O-N 3.45Å; D120-T123 WeakPolarHBondContact CA-OG1 3.42Å; D120-T123 PolarHBondContact O-OG1 2.65Å; D120-A124 VanDerWaalsContact O-CB 3.24Å; D120-A124 WeakPolarHBondContact O-CB 3.41Å; D120-A124 PolarHBondContact O-N 2.55Å
121	S	44.7	Very low	44.6	Very low	45 Å²	45	79 Å²	79	32%	0.315	48%	0.48	S	S	.	.	H	α-helix	trans	-75	-38	176.2	63.2	0	0	0	0	111.2	S118 A124 V125	S118-S121 WeakPolarHBondContact CB-OG 3.43Å; S118-S121 PolarHBondContact O-N 3.23Å; S118-S121 PolarHBondContact O-OG 3.32Å; S118-S121 PolarHBondContact OG-OG 2.81Å; S121-A124 PolarHBondContact O-N 3.49Å; S121-V125 WeakPolarHBondContact O-CG2 3.26Å; S121-V125 PolarHBondContact O-N 3.04Å
122	Y	43.3	Very low	45.2	Very low	57 Å²	57	76.1 Å²	76.1	22%	0.224	46%	0.462	C	S	.	.	H	α-helix	trans	-63.6	-42.1	176.2	-167.3	-87.4	0	0	0	111.6	S118 L119 N126 V158	S118-Y122 WeakPolarHBondContact O-CB 3.37Å; S118-Y122 PolarHBondContact O-N 2.95Å; S118-Y122 VanDerWaalsContact O-N 3.1Å; L119-Y122 PolarHBondContact O-N 2.79Å; Y122-N126 WeakPolarHBondContact CD1-ND2 3.44Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.33Å; Y122-N126 PolarHBondContact O-N 3.38Å; Y122-N126 PolarHBondContact O-ND2 3.06Å; Y122-V158 HydrophobicContact CD1-CG1 3.66Å; Y122-V158 HydrophobicContact CE1-CB 4.22Å; Y122-V158 HydrophobicContact CE1-CG1 3.58Å; Y122-V158 HydrophobicContact CE1-CG2 4.02Å
123	T	51.5	Low	45.7	Very low	27 Å²	27	72.9 Å²	72.9	17%	0.166	45%	0.447	C	S	.	.	H	α-helix	trans	-69	-37.8	174.2	48.2	0	0	0	0	112.1	L119 D120 Q127 D159 V162	L119-T123 WeakPolarHBondContact O-CB 3.38Å; L119-T123 WeakPolarHBondContact O-CG2 3.42Å; L119-T123 PolarHBondContact O-N 3.09Å; L119-T123 PolarHBondContact O-OG1 2.7Å; D120-T123 WeakPolarHBondContact CA-OG1 3.42Å; D120-T123 PolarHBondContact O-OG1 2.65Å; T123-Q127 WeakPolarHBondContact O-CB 3.45Å; T123-Q127 PolarHBondContact O-N 3.33Å; T123-D159 HydrophobicContact CG2-CB 4.03Å; T123-V162 HydrophobicContact CG2-CG2 4.29Å
124	A	50.8	Low	46.4	Very low	57 Å²	57	66.6 Å²	66.6	47%	0.471	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-44.7	177	0	0	0	0	0	113.1	D120 S121 Q127 A128	D120-A124 VanDerWaalsContact O-CB 3.24Å; D120-A124 WeakPolarHBondContact O-CB 3.41Å; D120-A124 PolarHBondContact O-N 2.55Å; S121-A124 PolarHBondContact O-N 3.49Å; A124-Q127 PolarHBondContact O-N 2.89Å; A124-A128 WeakPolarHBondContact O-CB 3.47Å; A124-A128 PolarHBondContact O-N 3.31Å
125	V	47.7	Very low	47.2	Very low	83 Å²	83	64.9 Å²	64.9	50%	0.503	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-48.8	177.5	171.5	0	0	0	0	110.6	S121 Q127 A128 Q129	S121-V125 WeakPolarHBondContact O-CG2 3.26Å; S121-V125 PolarHBondContact O-N 3.04Å; V125-Q127 VanDerWaalsContact C-N 3.32Å; V125-Q127 PolarHBondContact O-N 3.35Å; V125-A128 PolarHBondContact O-N 2.93Å; V125-Q129 WeakPolarHBondContact O-CG 3.25Å; V125-Q129 PolarHBondContact O-N 3.36Å
126	N	49.3	Very low	47.7	Very low	18 Å²	18	66.3 Å²	66.3	10%	0.096	41%	0.407	C	S	.	.	H	α-helix	trans	-66.2	-34.1	179.3	-71.2	-54.1	0	0	0	112.7	Y122 L130 L155	Y122-N126 WeakPolarHBondContact CD1-ND2 3.44Å; Y122-N126 WeakPolarHBondContact CE1-ND2 3.33Å; Y122-N126 PolarHBondContact O-N 3.38Å; Y122-N126 PolarHBondContact O-ND2 3.06Å; N126-L130 WeakPolarHBondContact O-CB 3.33Å; N126-L130 PolarHBondContact O-N 3.48Å; N126-L155 HydrophobicContact CB-CD1 4.42Å; N126-L155 HydrophobicContact CB-CD2 3.24Å; N126-L155 HydrophobicContact CB-CG 4.2Å
127	Q	58	Low	48.1	Very low	67 Å²	67	64.5 Å²	64.5	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-68.5	-39.2	174.8	-175	62.9	54.7	0	0	112.1	T123 A124 V125 L130 N131	T123-Q127 WeakPolarHBondContact O-CB 3.45Å; T123-Q127 PolarHBondContact O-N 3.33Å; A124-Q127 PolarHBondContact O-N 2.89Å; V125-Q127 VanDerWaalsContact C-N 3.32Å; V125-Q127 PolarHBondContact O-N 3.35Å; Q127-L130 PolarHBondContact O-N 3.3Å; Q127-N131 PolarHBondContact NE2-OD1 2.77Å; Q127-N131 VanDerWaalsContact NE2-OD1 3.1Å; Q127-N131 WeakPolarHBondContact O-CB 3.46Å; Q127-N131 PolarHBondContact O-N 3.19Å; Q127-N131 PolarHBondContact O-ND2 3.01Å
128	A	51.7	Low	48.3	Very low	58 Å²	58	64.3 Å²	64.3	48%	0.479	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-42.2	175.6	0	0	0	0	0	111.3	A124 V125 N131 A132	A124-A128 WeakPolarHBondContact O-CB 3.47Å; A124-A128 PolarHBondContact O-N 3.31Å; V125-A128 PolarHBondContact O-N 2.93Å; A128-N131 PolarHBondContact O-N 3.4Å; A128-A132 PolarHBondContact O-N 3.26Å
129	Q	48.2	Very low	48.1	Very low	44 Å²	44	67.6 Å²	67.6	21%	0.206	41%	0.408	C	S	.	.	H	α-helix	trans	-63.3	-44	174.6	-70.7	178	-16.3	0	0	112.1	V125 N131 A132 V133	V125-Q129 WeakPolarHBondContact O-CG 3.25Å; V125-Q129 PolarHBondContact O-N 3.36Å; Q129-N131 VanDerWaalsContact C-N 3.32Å; Q129-N131 PolarHBondContact O-N 3.38Å; Q129-A132 PolarHBondContact O-N 3.49Å; Q129-V133 WeakPolarHBondContact O-CG2 3.22Å; Q129-V133 PolarHBondContact O-N 3.11Å
130	L	53.5	Low	48.1	Very low	20 Å²	20	68.5 Å²	68.5	11%	0.105	42%	0.421	C	S	.	.	H	α-helix	trans	-59.9	-43.1	175.2	-165.7	100.9	0	0	0	111.6	N126 Q127 V133 T134 L155	N126-L130 WeakPolarHBondContact O-CB 3.33Å; N126-L130 PolarHBondContact O-N 3.48Å; Q127-L130 PolarHBondContact O-N 3.3Å; L130-V133 PolarHBondContact O-N 2.96Å; L130-T134 WeakPolarHBondContact O-CB 3.45Å; L130-T134 PolarHBondContact O-N 3.45Å; L130-T134 PolarHBondContact O-OG1 3.33Å; L130-L155 HydrophobicContact CD1-CD1 3.95Å
131	N	55.9	Low	48.6	Very low	77 Å²	77	63.3 Å²	63.3	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-41.5	177.9	-70.2	-18.8	0	0	0	111.7	Q127 A128 Q129 T134 S135	Q127-N131 PolarHBondContact NE2-OD1 2.77Å; Q127-N131 VanDerWaalsContact NE2-OD1 3.1Å; Q127-N131 WeakPolarHBondContact O-CB 3.46Å; Q127-N131 PolarHBondContact O-N 3.19Å; Q127-N131 PolarHBondContact O-ND2 3.01Å; A128-N131 PolarHBondContact O-N 3.4Å; Q129-N131 VanDerWaalsContact C-N 3.32Å; Q129-N131 PolarHBondContact O-N 3.38Å; N131-T134 PolarHBondContact O-N 2.97Å; N131-S135 WeakPolarHBondContact O-CB 3.33Å; N131-S135 PolarHBondContact O-N 3.32Å
132	A	49.3	Very low	48.9	Very low	40 Å²	40	65.3 Å²	65.3	33%	0.331	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-47.4	176.3	0	0	0	0	0	111.5	A128 Q129 T134 S135 L136	A128-A132 PolarHBondContact O-N 3.26Å; Q129-A132 PolarHBondContact O-N 3.49Å; A132-T134 VanDerWaalsContact C-N 3.32Å; A132-T134 PolarHBondContact O-N 3.19Å; A132-S135 PolarHBondContact O-N 2.84Å; A132-S135 PolarHBondContact O-OG 3.38Å; A132-L136 PolarHBondContact O-N 3.04Å
133	V	46	Very low	49.1	Very low	35 Å²	35	67.3 Å²	67.3	21%	0.212	42%	0.419	C	S	.	.	H	α-helix	trans	-64.2	-37.1	177.4	177.7	0	0	0	0	111.5	Q129 L130 S135 L136 L144 L148	Q129-V133 WeakPolarHBondContact O-CG2 3.22Å; Q129-V133 PolarHBondContact O-N 3.11Å; L130-V133 PolarHBondContact O-N 2.96Å; V133-S135 VanDerWaalsContact C-N 3.32Å; V133-S135 PolarHBondContact O-N 3.09Å; V133-L136 PolarHBondContact O-N 3.03Å; V133-L144 HydrophobicContact CG1-CD1 4.05Å; V133-L148 HydrophobicContact CG1-CD2 3.86Å; V133-L148 HydrophobicContact CG1-CG 4.37Å
134	T	51.3	Low	49	Very low	49 Å²	49	68.1 Å²	68.1	30%	0.301	42%	0.422	S	S	.	.	H	α-helix	trans	-73.7	-24.1	178.7	-46	0	0	0	0	112.5	L130 N131 A132 L136	L130-T134 WeakPolarHBondContact O-CB 3.45Å; L130-T134 PolarHBondContact O-N 3.45Å; L130-T134 PolarHBondContact O-OG1 3.33Å; N131-T134 PolarHBondContact O-N 2.97Å; A132-T134 VanDerWaalsContact C-N 3.32Å; A132-T134 PolarHBondContact O-N 3.19Å; T134-L136 VanDerWaalsContact C-N 3.33Å
135	S	53.8	Low	49.1	Very low	89 Å²	89	68.8 Å²	68.8	62%	0.622	42%	0.423	S	S	*	.	H	α-helix	trans	-76.8	-19.3	177.6	73.3	0	0	0	0	113.7	N131 A132 V133 T137	N131-S135 WeakPolarHBondContact O-CB 3.33Å; N131-S135 PolarHBondContact O-N 3.32Å; A132-S135 PolarHBondContact O-N 2.84Å; A132-S135 PolarHBondContact O-OG 3.38Å; V133-S135 VanDerWaalsContact C-N 3.32Å; V133-S135 PolarHBondContact O-N 3.09Å; S135-T137 PolarHBondContact O-N 2.86Å
136	L	44.4	Very low	49.5	Very low	109 Å²	109	73.8 Å²	73.8	57%	0.571	43%	0.433	S	S	*	.	S	Bend	trans	-92.3	84.3	176.9	-61.6	167.8	0	0	0	109.2	A132 V133 T134	A132-L136 PolarHBondContact O-N 3.04Å; V133-L136 PolarHBondContact O-N 3.03Å; T134-L136 VanDerWaalsContact C-N 3.33Å
137	T	43.2	Very low	49.6	Very low	96 Å²	96	74.6 Å²	74.6	59%	0.589	44%	0.436	S	S	*	.			trans	-126.3	149.1	175.7	50.3	0	0	0	0	110.2	S135	S135-T137 PolarHBondContact O-N 2.86Å
138	P	43.8	Very low	49.3	Very low	108 Å²	108	74.1 Å²	74.1	70%	0.701	44%	0.435	S	S	*	.				-105.8	155.8	55.1	35.2	-32.4	0	0	0	115.6	S140	P138-S140 PolarHBondContact O-N 3.05Å
139	P	40	Very low	49.7	Very low	114 Å²	114	74.7 Å²	74.7	74%	0.74	43%	0.433	S	S	*	.			trans	-80.6	104.6	-175.3	33.6	-31.8	0	0	0	110.3
140	S	41.9	Very low	50.2	Low	107 Å²	107	79 Å²	79	75%	0.748	45%	0.451	S	S	*	.			trans	-145	-4.1	172.1	49.9	0	0	0	0	114.6	P138 P142	P138-S140 PolarHBondContact O-N 3.05Å; S140-P142 WeakPolarHBondContact O-CD 3.24Å
141	S	51.6	Low	49.9	Very low	29 Å²	29	79.4 Å²	79.4	20%	0.203	45%	0.454	C	S	.	.			trans	-92.7	117.4	174.8	179.6	0	0	0	0	111.7	E143 L144 S145	S141-E143 PolarHBondContact O-N 3.36Å; S141-E143 PolarHBondContact OG-N 3.33Å; S141-L144 PolarHBondContact O-N 2.82Å; S141-L144 PolarHBondContact OG-N 3.28Å; S141-S145 PolarHBondContact O-N 3.5Å; S141-S145 PolarHBondContact O-OG 2.82Å
142	P	51.7	Low	49.8	Very low	88 Å²	88	77.6 Å²	77.6	57%	0.571	45%	0.447	S	S	*	.	H	α-helix	trans	-62.5	-22.1	171.3	23.7	-31	0	0	0	112.5	S140 R146	S140-P142 WeakPolarHBondContact O-CD 3.24Å; P142-R146 PolarHBondContact O-N 3.17Å
143	E	48.6	Very low	50.2	Low	99 Å²	99	81.2 Å²	81.2	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-72.2	-44.7	175.7	-62.1	-168.4	155	0	0	111.8	V95 S141 S145 R146 H147	V95-E143 WeakPolarHBondContact CG1-OE2 3.38Å; S141-E143 PolarHBondContact O-N 3.36Å; S141-E143 PolarHBondContact OG-N 3.33Å; E143-S145 PolarHBondContact O-N 2.98Å; E143-R146 PolarHBondContact O-N 3.4Å; E143-H147 WeakPolarHBondContact O-CB 3.49Å; E143-H147 PolarHBondContact O-N 3.45Å
144	L	49.1	Very low	50.3	Low	44 Å²	44	83.4 Å²	83.4	23%	0.23	47%	0.471	C	S	.	.	H	α-helix	trans	-59.4	-36	175.3	-171.3	67.7	0	0	0	111.4	V133 S141 H147 L148	V133-L144 HydrophobicContact CG1-CD1 4.05Å; S141-L144 PolarHBondContact O-N 2.82Å; S141-L144 PolarHBondContact OG-N 3.28Å; L144-H147 PolarHBondContact O-N 3.47Å; L144-L148 HydrophobicContact CG-CD1 4.28Å; L144-L148 WeakPolarHBondContact O-CB 3.4Å; L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 2.9Å
145	S	51.2	Low	50.1	Low	70 Å²	70	81.5 Å²	81.5	49%	0.49	46%	0.459	S	S	.	.	H	α-helix	trans	-67.5	-46.2	176.9	-60.9	0	0	0	0	112.8	S141 E143 H147 V149	S141-S145 PolarHBondContact O-N 3.5Å; S141-S145 PolarHBondContact O-OG 2.82Å; E143-S145 PolarHBondContact O-N 2.98Å; S145-H147 PolarHBondContact O-N 2.76Å; S145-V149 WeakPolarHBondContact O-CG2 3.44Å; S145-V149 PolarHBondContact O-N 2.99Å
146	R	57.2	Low	49.9	Very low	189 Å²	189	80 Å²	80	71%	0.713	45%	0.448	S	S	*	.	H	α-helix	trans	-62.1	-37.9	175.2	-74.7	179.7	-174.5	153	1.8	111.7	P142 E143 V149 K150	P142-R146 PolarHBondContact O-N 3.17Å; E143-R146 PolarHBondContact O-N 3.4Å; R146-V149 WeakPolarHBondContact O-CB 3.48Å; R146-V149 PolarHBondContact O-N 2.85Å; R146-K150 PolarHBondContact O-N 3Å
147	H	51.7	Low	50.1	Low	35 Å²	35	78.9 Å²	78.9	16%	0.162	46%	0.455	C	S	.	.	H	α-helix	trans	-70.2	-46	-177.4	-166.7	-75.1	0	0	0	112	D102 E143 L144 S145 V149 K150 T151	D102-H147 WeakPolarHBondContact CB-CE1 3.46Å; D102-H147 WeakPolarHBondContact CB-NE2 3.05Å; D102-H147 IonicContact OD1-CE1 3.89Å; D102-H147 PolarHBondContact OD1-CE1 3.34Å; D102-H147 IonicContact OD1-NE2 3Å; D102-H147 IonicContact OD2-CD2 2.7Å; D102-H147 IonicContact OD2-CE1 3.63Å; D102-H147 PolarHBondContact OD2-CE1 2.93Å; D102-H147 IonicContact OD2-NE2 3.06Å; D102-H147 PolarHBondContact OD2-NE2 3.27Å; E143-H147 WeakPolarHBondContact O-CB 3.49Å; E143-H147 PolarHBondContact O-N 3.45Å; L144-H147 PolarHBondContact O-N 3.47Å; S145-H147 PolarHBondContact O-N 2.76Å; H147-V149 PolarHBondContact O-N 2.85Å; H147-K150 WeakPolarHBondContact O-CB 3.47Å; H147-K150 PolarHBondContact O-N 3.36Å; H147-T151 PolarHBondContact O-N 3.37Å; H147-T151 PolarHBondContact O-OG1 3.1Å
148	L	52	Low	50	Low	56 Å²	56	77.2 Å²	77.2	29%	0.293	45%	0.445	S	S	.	.	H	α-helix	trans	-56.2	-36.7	170.9	-80.1	164.4	0	0	0	112.5	V133 L144 S152	V133-L148 HydrophobicContact CG1-CD2 3.86Å; V133-L148 HydrophobicContact CG1-CG 4.37Å; L144-L148 HydrophobicContact CG-CD1 4.28Å; L144-L148 WeakPolarHBondContact O-CB 3.4Å; L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 2.9Å; L148-S152 WeakPolarHBondContact O-CB 3.2Å; L148-S152 PolarHBondContact O-N 2.97Å
149	V	59.5	Low	49.8	Very low	70 Å²	70	73.8 Å²	73.8	42%	0.424	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-43.1	173.9	171.1	0	0	0	0	111.2	S145 R146 H147 S152 Q153	S145-V149 WeakPolarHBondContact O-CG2 3.44Å; S145-V149 PolarHBondContact O-N 2.99Å; R146-V149 WeakPolarHBondContact O-CB 3.48Å; R146-V149 PolarHBondContact O-N 2.85Å; H147-V149 PolarHBondContact O-N 2.85Å; V149-S152 PolarHBondContact O-N 2.93Å; V149-Q153 VanDerWaalsContact O-CG 3.27Å; V149-Q153 WeakPolarHBondContact O-CG 3.39Å; V149-Q153 PolarHBondContact O-N 3.37Å
150	K	57.8	Low	49.8	Very low	134 Å²	134	71 Å²	71	58%	0.583	41%	0.412	S	S	*	.	H	α-helix	trans	-66.9	-45.3	178.9	-162.5	179.2	-178.6	-169.5	0	111.9	R146 H147 S152 Q153 T154	R146-K150 PolarHBondContact O-N 3Å; H147-K150 WeakPolarHBondContact O-CB 3.47Å; H147-K150 PolarHBondContact O-N 3.36Å; K150-S152 VanDerWaalsContact C-N 3.31Å; K150-S152 PolarHBondContact O-N 2.91Å; K150-Q153 WeakPolarHBondContact O-CB 3.41Å; K150-Q153 PolarHBondContact O-N 2.98Å; K150-Q153 VanDerWaalsContact O-N 3.13Å; K150-T154 PolarHBondContact O-N 3.28Å; K150-T154 PolarHBondContact O-OG1 3.26Å
151	T	48.9	Very low	49.6	Very low	30 Å²	30	70.8 Å²	70.8	18%	0.184	41%	0.406	C	S	.	.	H	α-helix	trans	-63.4	-36.9	174.5	-45	0	0	0	0	111.6	H147 Q153 T154 L155	H147-T151 PolarHBondContact O-N 3.37Å; H147-T151 PolarHBondContact O-OG1 3.1Å; T151-Q153 VanDerWaalsContact C-N 3.35Å; T151-T154 WeakPolarHBondContact CA-OG1 3.2Å; T151-T154 PolarHBondContact O-OG1 2.97Å; T151-L155 HydrophobicContact CG2-CD1 4.39Å; T151-L155 WeakPolarHBondContact O-CB 3.18Å; T151-L155 WeakPolarHBondContact O-CG 3.34Å; T151-L155 PolarHBondContact O-N 3.49Å
152	S	53.6	Low	48.9	Very low	38 Å²	38	70.5 Å²	70.5	27%	0.266	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-36.1	172.8	173	0	0	0	0	112.4	L148 V149 K150 S156 L166	L148-S152 WeakPolarHBondContact O-CB 3.2Å; L148-S152 PolarHBondContact O-N 2.97Å; V149-S152 PolarHBondContact O-N 2.93Å; K150-S152 VanDerWaalsContact C-N 3.31Å; K150-S152 PolarHBondContact O-N 2.91Å; S152-S156 WeakPolarHBondContact O-CB 3.43Å; S152-S156 PolarHBondContact O-N 2.95Å; S152-S156 PolarHBondContact O-OG 2.89Å; S152-L166 VanDerWaalsContact OG-CD2 3.25Å; S152-L166 WeakPolarHBondContact OG-CD2 3.45Å
153	Q	56.1	Low	48.2	Very low	116 Å²	116	69 Å²	69	54%	0.542	39%	0.393	S	S	.	.	H	α-helix	trans	-70.8	-42.6	177.8	-76.8	170.2	-10.9	0	0	111.4	V149 K150 T151 L155 S156 A157	V149-Q153 VanDerWaalsContact O-CG 3.27Å; V149-Q153 WeakPolarHBondContact O-CG 3.39Å; V149-Q153 PolarHBondContact O-N 3.37Å; K150-Q153 WeakPolarHBondContact O-CB 3.41Å; K150-Q153 PolarHBondContact O-N 2.98Å; K150-Q153 VanDerWaalsContact O-N 3.13Å; T151-Q153 VanDerWaalsContact C-N 3.35Å; Q153-L155 VanDerWaalsContact C-N 3.34Å; Q153-S156 WeakPolarHBondContact CA-OG 3.46Å; Q153-S156 PolarHBondContact O-N 3.48Å; Q153-S156 PolarHBondContact O-OG 3.4Å; Q153-A157 PolarHBondContact O-N 2.88Å; Q153-A157 VanDerWaalsContact O-N 3.08Å
154	T	48.3	Very low	47.5	Very low	82 Å²	82	71 Å²	71	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-41.4	174.5	50.9	0	0	0	0	111.3	K150 T151 S156 A157 V158	K150-T154 PolarHBondContact O-N 3.28Å; K150-T154 PolarHBondContact O-OG1 3.26Å; T151-T154 WeakPolarHBondContact CA-OG1 3.2Å; T151-T154 PolarHBondContact O-OG1 2.97Å; T154-S156 PolarHBondContact O-N 3.34Å; T154-A157 WeakPolarHBondContact O-CB 3.48Å; T154-A157 PolarHBondContact O-N 3.42Å; T154-V158 WeakPolarHBondContact O-CG2 3.21Å; T154-V158 PolarHBondContact O-N 3.01Å
155	L	48	Very low	46.9	Very low	8 Å²	8	77.1 Å²	77.1	4%	0.042	43%	0.431	C	S	.	.	H	α-helix	trans	-61.9	-40	172.6	-83	169.4	0	0	0	113.3	N126 L130 T151 Q153 A157 V158 D159	N126-L155 HydrophobicContact CB-CD1 4.42Å; N126-L155 HydrophobicContact CB-CD2 3.24Å; N126-L155 HydrophobicContact CB-CG 4.2Å; L130-L155 HydrophobicContact CD1-CD1 3.95Å; T151-L155 HydrophobicContact CG2-CD1 4.39Å; T151-L155 WeakPolarHBondContact O-CB 3.18Å; T151-L155 WeakPolarHBondContact O-CG 3.34Å; T151-L155 PolarHBondContact O-N 3.49Å; Q153-L155 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 2.83Å; L155-V158 PolarHBondContact O-N 3.13Å; L155-D159 PolarHBondContact O-N 3.28Å
156	S	49.7	Very low	46	Very low	57 Å²	57	75.6 Å²	75.6	40%	0.399	42%	0.417	S	S	.	.	H	α-helix	trans	-68.4	-20.6	176.7	71.3	0	0	0	0	113.9	S152 Q153 T154	S152-S156 WeakPolarHBondContact O-CB 3.43Å; S152-S156 PolarHBondContact O-N 2.95Å; S152-S156 PolarHBondContact O-OG 2.89Å; Q153-S156 WeakPolarHBondContact CA-OG 3.46Å; Q153-S156 PolarHBondContact O-N 3.48Å; Q153-S156 PolarHBondContact O-OG 3.4Å; T154-S156 PolarHBondContact O-N 3.34Å
157	A	48.7	Very low	45	Very low	86 Å²	86	71.5 Å²	71.5	71%	0.711	41%	0.412	S	S	*	.	H	α-helix	trans	-82.9	-19.5	176.9	0	0	0	0	0	112.9	Q153 T154 L155	Q153-A157 PolarHBondContact O-N 2.88Å; Q153-A157 VanDerWaalsContact O-N 3.08Å; T154-A157 WeakPolarHBondContact O-CB 3.48Å; T154-A157 PolarHBondContact O-N 3.42Å; L155-A157 PolarHBondContact O-N 2.83Å
158	V	40.6	Very low	44.2	Very low	61 Å²	61	73 Å²	73	37%	0.37	43%	0.431	S	S	.	.	H	α-helix	trans	-97.9	-29.3	-175.4	-178.8	0	0	0	0	112.6	L119 Y122 T154 L155	L119-V158 HydrophobicContact CD1-CG1 4.2Å; Y122-V158 HydrophobicContact CD1-CG1 3.66Å; Y122-V158 HydrophobicContact CE1-CB 4.22Å; Y122-V158 HydrophobicContact CE1-CG1 3.58Å; Y122-V158 HydrophobicContact CE1-CG2 4.02Å; T154-V158 WeakPolarHBondContact O-CG2 3.21Å; T154-V158 PolarHBondContact O-N 3.01Å; L155-V158 PolarHBondContact O-N 3.13Å
159	D	39.9	Very low	43.5	Very low	37 Å²	37	75.6 Å²	75.6	20%	0.198	44%	0.44	C	S	.	.			trans	-151.6	118.6	175.7	-174.8	22.4	0	0	0	113.3	T123 L155 T161 V162	T123-D159 HydrophobicContact CG2-CB 4.03Å; L155-D159 PolarHBondContact O-N 3.28Å; D159-T161 PolarHBondContact O-N 2.97Å; D159-T161 PolarHBondContact OD1-N 3.48Å; D159-T161 PolarHBondContact OD1-OG1 3.2Å; D159-T161 PolarHBondContact OD2-OG1 3.05Å; D159-V162 HydrophobicContact CB-CG2 4.08Å; D159-V162 PolarHBondContact O-N 3.41Å
160	G	38.8	Very low	42.4	Very low	54 Å²	54	79.5 Å²	79.5	56%	0.557	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-62.9	-22.2	179.7	0	0	0	0	0	113.4	T163	G160-T163 PolarHBondContact O-OG1 2.9Å
161	T	39.6	Very low	41.4	Very low	103 Å²	103	76 Å²	76	63%	0.632	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-78.9	-18.3	179.1	25.3	0	0	0	0	114.8	D159 T163	D159-T161 PolarHBondContact O-N 2.97Å; D159-T161 PolarHBondContact OD1-N 3.48Å; D159-T161 PolarHBondContact OD1-OG1 3.2Å; D159-T161 PolarHBondContact OD2-OG1 3.05Å; T161-T163 VanDerWaalsContact C-N 3.27Å; T161-T163 PolarHBondContact O-N 2.88Å
162	V	35.9	Very low	41	Very low	23 Å²	23	77.7 Å²	77.7	14%	0.139	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-74.2	-19.5	175.7	174.7	0	0	0	0	111.9	T123 D159 L164 K165 L166	T123-V162 HydrophobicContact CG2-CG2 4.29Å; D159-V162 HydrophobicContact CB-CG2 4.08Å; D159-V162 PolarHBondContact O-N 3.41Å; V162-L164 PolarHBondContact O-N 3.3Å; V162-K165 PolarHBondContact O-N 2.77Å; V162-L166 HydrophobicContact CG1-CD1 3.54Å; V162-L166 PolarHBondContact O-N 2.96Å
163	T	37.1	Very low	40.3	Very low	57 Å²	57	81.7 Å²	81.7	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-28.3	-177.5	62.3	0	0	0	0	114.4	G160 T161 V167	G160-T163 PolarHBondContact O-OG1 2.9Å; T161-T163 VanDerWaalsContact C-N 3.27Å; T161-T163 PolarHBondContact O-N 2.88Å; T163-V167 VanDerWaalsContact O-CG2 3.26Å; T163-V167 WeakPolarHBondContact O-CG2 3.37Å; T163-V167 PolarHBondContact O-N 2.89Å
164	L	34.1	Very low	39.5	Very low	141 Å²	141	81 Å²	81	74%	0.738	49%	0.49	S	S	*	.	H	α-helix	trans	-78.7	-27.8	-178.4	-79.4	165.5	0	0	0	113.9	V162	V162-L164 PolarHBondContact O-N 3.3Å
165	K	35.4	Very low	38.9	Very low	173 Å²	173	81.7 Å²	81.7	75%	0.752	50%	0.498	S	S	*	.	H	α-helix	trans	-85	-26.7	178.3	-71.9	179.8	-179.9	171.5	0	113	V162	V162-K165 PolarHBondContact O-N 2.77Å
166	L	33.5	Very low	38.1	Very low	38 Å²	38	86.8 Å²	86.8	20%	0.199	53%	0.53	C	S	.	.	H	α-helix	trans	-79.2	-34.9	176.2	-95.3	99.3	0	0	0	113.8	S152 V162 K169 K170	S152-L166 VanDerWaalsContact OG-CD2 3.25Å; S152-L166 WeakPolarHBondContact OG-CD2 3.45Å; V162-L166 HydrophobicContact CG1-CD1 3.54Å; V162-L166 PolarHBondContact O-N 2.96Å; L166-K169 PolarHBondContact O-N 2.95Å; L166-K170 WeakPolarHBondContact O-CB 3.48Å; L166-K170 PolarHBondContact O-N 2.97Å
167	V	35.4	Very low	37.1	Very low	102 Å²	102	93.6 Å²	93.6	62%	0.618	55%	0.552	S	S	*	*	H	α-helix	trans	-66.8	-37.7	177.2	173.5	0	0	0	0	111.4	T163 A171	T163-V167 VanDerWaalsContact O-CG2 3.26Å; T163-V167 WeakPolarHBondContact O-CG2 3.37Å; T163-V167 PolarHBondContact O-N 2.89Å; V167-A171 PolarHBondContact O-N 2.91Å
168	A	35.7	Very low	36.1	Very low	67 Å²	67	96.9 Å²	96.9	55%	0.554	56%	0.563	S	S	*	*	H	α-helix	trans	-67.4	-36.1	176.7	0	0	0	0	0	113.2	A172	A168-A172 PolarHBondContact O-N 2.99Å
169	K	37.8	Very low	35.5	Very low	110 Å²	110	97.4 Å²	97.4	48%	0.478	58%	0.581	S	S	.	*	H	α-helix	trans	-79	-30.5	179.3	-143.1	174	-178.6	-175.2	0	112.3	L166 A171 A172 L173	L166-K169 PolarHBondContact O-N 2.95Å; K169-A171 VanDerWaalsContact C-N 3.35Å; K169-A172 PolarHBondContact O-N 3.17Å; K169-L173 WeakPolarHBondContact O-CD1 3.43Å; K169-L173 PolarHBondContact O-N 3.35Å; K169-L173 VanDerWaalsContact O-N 3.1Å
170	K	35.2	Very low	35	Very low	152 Å²	152	99.3 Å²	99.3	66%	0.661	61%	0.609	S	S	*	*	H	α-helix	trans	-63.6	-37.3	171.5	-170.2	172.4	-177.7	176.7	0	112.4	L166 L173 S174	L166-K170 WeakPolarHBondContact O-CB 3.48Å; L166-K170 PolarHBondContact O-N 2.97Å; K170-L173 PolarHBondContact O-N 3.25Å; K170-S174 PolarHBondContact O-N 3.49Å; K170-S174 VanDerWaalsContact O-N 3.17Å; K170-S174 PolarHBondContact O-OG 3.35Å
171	A	36.6	Very low	34.3	Very low	60 Å²	60	103.8 Å²	103.8	50%	0.496	63%	0.625	S	S	.	*	H	α-helix	trans	-68	-33.1	173.7	0	0	0	0	0	113.1	V167 K169 S174	V167-A171 PolarHBondContact O-N 2.91Å; K169-A171 VanDerWaalsContact C-N 3.35Å; A171-S174 PolarHBondContact O-OG 3.22Å
172	A	41	Very low	33.8	Very low	66 Å²	66	103.5 Å²	103.5	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-72.7	-33.8	175.9	0	0	0	0	0	112.9	A168 K169	A168-A172 PolarHBondContact O-N 2.99Å; K169-A172 PolarHBondContact O-N 3.17Å
173	L	38.5	Very low	33.3	Very low	122 Å²	122	109.3 Å²	109.3	64%	0.639	67%	0.669	S	S	*	*	H	α-helix	trans	-79.9	-27.3	179.7	-77.9	155.8	0	0	0	113.6	K169 K170 S175	K169-L173 WeakPolarHBondContact O-CD1 3.43Å; K169-L173 PolarHBondContact O-N 3.35Å; K169-L173 VanDerWaalsContact O-N 3.1Å; K170-L173 PolarHBondContact O-N 3.25Å; L173-S175 PolarHBondContact O-N 3.34Å
174	S	39.8	Very low	32.9	Very low	102 Å²	102	111.5 Å²	111.5	71%	0.713	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-4.3	175	54.7	0	0	0	0	114.5	K170 A171	K170-S174 PolarHBondContact O-N 3.49Å; K170-S174 VanDerWaalsContact O-N 3.17Å; K170-S174 PolarHBondContact O-OG 3.35Å; A171-S174 PolarHBondContact O-OG 3.22Å
175	S	36.4	Very low	32.4	Very low	96 Å²	96	109.9 Å²	109.9	67%	0.671	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	3.9	-173.1	-154.5	0	0	0	0	114.6	L173 K177	L173-S175 PolarHBondContact O-N 3.34Å; S175-K177 PolarHBondContact O-N 3.43Å
176	V	30.1	Very low	32.1	Very low	116 Å²	116	106.2 Å²	106.2	70%	0.703	70%	0.702	S	S	*	*			trans	-86.3	99	176.1	-178.5	0	0	0	0	109.2	V178	V176-V178 PolarHBondContact O-N 3.47Å
177	K	29.8	Very low	31.7	Very low	200 Å²	200	109 Å²	109	87%	0.87	73%	0.73	S	S	*	*			trans	-60.7	117.7	169.2	-89	176.3	175.6	172.3	0	109.5	S175 G179	S175-K177 PolarHBondContact O-N 3.43Å; K177-G179 PolarHBondContact O-N 2.71Å
178	V	26.5	Very low	31.4	Very low	155 Å²	155	111.1 Å²	111.1	94%	0.939	74%	0.743	S	S	*	*			trans	-61.1	112.5	168.4	179.5	0	0	0	0	108.4	V176	V176-V178 PolarHBondContact O-N 3.47Å
179	G	29.3	Very low	31	Very low	72 Å²	72	114.5 Å²	114.5	74%	0.742	76%	0.757	S	S	*	*			trans	-167.6	121.9	175.4	0	0	0	0	0	111.7	K177	K177-G179 PolarHBondContact O-N 2.71Å
180	G	28	Very low	30.8	Very low	76 Å²	76	114 Å²	114	78%	0.784	77%	0.773	S	S	*	*			trans	101.3	96.8	152.5	0	0	0	0	0	116.6
181	V	24.3	Very low	30.5	Very low	149 Å²	149	112 Å²	112	90%	0.903	79%	0.785	S	S	*	*			trans	-42.8	139.9	157.6	-120.3	0	0	0	0	113.6
182	A	28.8	Very low	30.3	Very low	97 Å²	97	112.6 Å²	112.6	80%	0.802	80%	0.797	S	S	*	*			trans	-168.4	114.1	135.9	0	0	0	0	0	111.4
183	T	26	Very low	29.8	Very low	144 Å²	144	114.6 Å²	114.6	88%	0.883	81%	0.814	S	S	*	*			trans	-67.5	133.8	163.2	42	0	0	0	0	110.9
184	A	28.3	Very low	29.3	Very low	104 Å²	104	115.4 Å²	115.4	86%	0.86	82%	0.823	S	S	*	*			trans	-146.3	116.9	161.4	0	0	0	0	0	110.6
185	A	24.4	Very low	29	Very low	107 Å²	107	120.6 Å²	120.6	88%	0.884	83%	0.833	S	S	*	*			trans	-91.7	133.8	162.7	0	0	0	0	0	109
186	A	27.8	Very low	28.6	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	84%	0.839	S	S	*	*			trans	-172.3	107	158.4	0	0	0	0	0	107.3
187	A	26.4	Very low	28.7	Very low	95 Å²	95	119.6 Å²	119.6	79%	0.785	84%	0.844	S	S	*	*				72.9	107	92.1	0	0	0	0	0	113.8
188	V	27.8	Very low	28.5	Very low	148 Å²	148	118.5 Å²	118.5	90%	0.897	84%	0.842	S	S	*	*			trans	-129.3	111.5	154.9	172.3	0	0	0	0	108.1
189	T	29.1	Very low	28.7	Very low	137 Å²	137	116.8 Å²	116.8	84%	0.84	84%	0.836	S	S	*	*			trans	-81.7	134.5	171.5	-3.8	0	0	0	0	109.5
190	A	32.3	Very low	28.6	Very low	100 Å²	100	120 Å²	120	83%	0.826	84%	0.837	S	S	*	*			trans	-143.2	118.7	157.4	0	0	0	0	0	109.5
191	A	29.2	Very low	29.1	Very low	110 Å²	110	121.4 Å²	121.4	91%	0.909	83%	0.834	S	S	*	*			trans	-81.5	147.5	179.7	0	0	0	0	0	111.6
192	G	31.5	Very low	29.5	Very low	73 Å²	73	121.7 Å²	121.7	75%	0.753	83%	0.831	S	S	*	*			trans	-163.1	100.2	170.4	0	0	0	0	0	110.1
193	A	30.9	Very low	29.7	Very low	108 Å²	108	126.4 Å²	126.4	89%	0.893	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-70.5	136.9	-172.6	0	0	0	0	0	113.3
194	V	29.4	Very low	29.9	Very low	139 Å²	139	123.5 Å²	123.5	84%	0.842	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-95.1	130.4	169.1	166.9	0	0	0	0	108.9
195	K	33.3	Very low	30.1	Very low	211 Å²	211	121.5 Å²	121.5	92%	0.917	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-99.8	121.9	162.1	-83.8	-176.8	176.8	178.9	0	109.3
196	S	27.6	Very low	30.5	Very low	114 Å²	114	125 Å²	125	80%	0.797	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.7	133.1	167.5	49.2	0	0	0	0	110.8
197	G	32	Very low	30.5	Very low	77 Å²	77	123.9 Å²	123.9	79%	0.794	83%	0.825	S	S	*	*			trans	-127.8	116.3	165.6	0	0	0	0	0	108.9
198	Q	24.7	Very low	31	Very low	177 Å²	177	123.9 Å²	123.9	83%	0.827	83%	0.825	S	S	*	*			trans	-72.4	147.9	171.3	-75	154.3	-94.1	0	0	110.7
199	S	31.4	Very low	31.2	Very low	119 Å²	119	125 Å²	125	83%	0.832	82%	0.82	S	S	*	*			trans	-152.2	100.9	148.9	55.5	0	0	0	0	108.3
200	D	27.8	Very low	31.4	Very low	140 Å²	140	123.5 Å²	123.5	75%	0.749	82%	0.822	S	S	*	*			trans	-60.3	144.4	156.1	-63.9	-63.7	0	0	0	109.6
201	S	37.4	Very low	31.7	Very low	105 Å²	105	123.7 Å²	123.7	73%	0.734	82%	0.816	S	S	*	*			trans	-177.2	112.4	138.8	-99.1	0	0	0	0	111.2
202	D	33.1	Very low	32.2	Very low	155 Å²	155	123.9 Å²	123.9	83%	0.829	81%	0.808	S	S	*	*				72.8	117.8	127.7	-70.8	-58.7	0	0	0	122.5
203	Q	32.7	Very low	32.9	Very low	195 Å²	195	129.9 Å²	129.9	91%	0.911	82%	0.817	S	S	*	*			trans	-69.9	144.4	162.6	-65	175.1	-33.6	0	0	111.3
204	G	31	Very low	33.8	Very low	83 Å²	83	131.1 Å²	131.1	86%	0.856	81%	0.808	S	S	*	*			trans	153.2	122.5	167.6	0	0	0	0	0	108.2
205	G	32.4	Very low	35.2	Very low	63 Å²	63	133.9 Å²	133.9	65%	0.649	81%	0.809	S	S	*	*			cis	172.7	-171.2	4.4	0	0	0	0	0	106.7
206	L	32.8	Very low	36.7	Very low	181 Å²	181	131.9 Å²	131.9	95%	0.948	80%	0.8	S	S	*	*			trans	73.9	108.7	161.4	-42.6	175.1	0	0	0	113.1
207	G	28.1	Very low	38.9	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	80%	0.801	S	S	*	*				97.5	135.7	51	0	0	0	0	0	108.5
208	A	37.1	Very low	41.4	Very low	96 Å²	96	137.9 Å²	137.9	79%	0.793	79%	0.792	S	S	*	*			trans	76.8	139.1	173.6	0	0	0	0	0	117
209	E	31.6	Very low	44.3	Very low	170 Å²	170	132.3 Å²	132.3	79%	0.794	77%	0.767	S	S	*	*			cis	-169.3	143.2	-12.5	-104.2	-167.4	112.5	0	0	102	C211	E209-C211 PolarHBondContact O-N 2.82Å
210	A	33.9	Very low	47	Very low	106 Å²	106	134.1 Å²	134.1	88%	0.876	76%	0.755	S	S	*	*			trans	-63.1	118.5	164.2	0	0	0	0	0	107.8
211	C	38.2	Very low	49.8	Very low	105 Å²	105	127.7 Å²	127.7	71%	0.709	72%	0.721	S	S	*	*			trans	-151.7	155.3	174.6	-113.3	0	0	0	0	110.4	E209	E209-C211 PolarHBondContact O-N 2.82Å
212	P	39.2	Very low	52.1	Low	113 Å²	113	131.1 Å²	131.1	73%	0.734	73%	0.725	S	S	*	*				-105	-174.5	-108.4	4.4	17.6	0	0	0	111.1	N214	P212-N214 VanDerWaalsContact C-N 3.27Å; P212-N214 PolarHBondContact O-N 3.31Å
213	E	45.3	Very low	54.6	Low	199 Å²	199	129.1 Å²	129.1	93%	0.93	71%	0.709	S	S	*	*			trans	-44.7	73.8	177.4	-158.4	133.7	132.5	0	0	115.3
214	N	50.4	Low	57	Low	134 Å²	134	127.3 Å²	127.3	72%	0.717	71%	0.706	S	S	*	*			trans	-88.3	113.2	174.8	-165.8	-13.8	0	0	0	107.6	P212 K216	P212-N214 VanDerWaalsContact C-N 3.27Å; P212-N214 PolarHBondContact O-N 3.31Å; N214-K216 VanDerWaalsContact C-N 3.26Å; N214-K216 PolarHBondContact O-N 3.1Å
215	K	59.2	Low	59.4	Low	197 Å²	197	126.6 Å²	126.6	86%	0.857	70%	0.699	S	S	*	*			trans	-51.3	88.5	175.3	-73.9	173.8	180	172.7	0	109.6	R217	K215-R217 PolarHBondContact O-N 2.88Å
216	K	65.4	Low	61.6	Low	169 Å²	169	124.7 Å²	124.7	74%	0.735	68%	0.675	S	S	*	*			trans	-58.6	110.7	-178.6	-71.3	177.8	-176.9	169.7	0	107.4	N214 V218	N214-K216 VanDerWaalsContact C-N 3.26Å; N214-K216 PolarHBondContact O-N 3.1Å; K216-V218 PolarHBondContact O-N 3.4Å; K216-V218 VanDerWaalsContact O-N 3.09Å
217	R	73.9	Confident	64.1	Low	215 Å²	215	126.6 Å²	126.6	81%	0.811	67%	0.67	S	S	*	*			trans	-57.5	116.9	174.7	-83	-176.1	158.1	-150	-3.9	108.4	K215	K215-R217 PolarHBondContact O-N 2.88Å
218	V	84.1	Confident	66.8	Low	102 Å²	102	129.2 Å²	129.2	62%	0.618	66%	0.661	S	S	*	*			trans	-84.2	133.6	175.1	-69.8	0	0	0	0	109.8	K216 V229	K216-V218 PolarHBondContact O-N 3.4Å; K216-V218 VanDerWaalsContact O-N 3.09Å; V218-V229 HydrophobicContact CB-CG1 3.74Å; V218-V229 HydrophobicContact CG1-CG1 4.24Å; V218-V229 HydrophobicContact CG2-CG1 4.49Å
219	H	85.8	Confident	69.2	Low	61 Å²	61	127.7 Å²	127.7	28%	0.282	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	108.3	180	-66	-78.7	0	0	0	108.9	Y230 S233 L236	H219-Y230 WeakPolarHBondContact CB-O 3.45Å; H219-Y230 PolarHBondContact N-O 3.32Å; H219-Y230 PolarHBondContact O-N 2.98Å; H219-S233 PolarHBondContact CD2-N 3.02Å; H219-S233 VanDerWaalsContact CD2-N 3.32Å; H219-S233 PolarHBondContact NE2-N 2.96Å; H219-L236 HydrophobicContact CB-CB 3.88Å; H219-L236 HydrophobicContact CB-CD2 3.67Å; H219-L236 HydrophobicContact CB-CG 4.32Å
220	R	87.7	Confident	71.9	Confident	157 Å²	157	122.2 Å²	122.2	59%	0.592	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.6	139.9	-179.3	-178.2	-178.9	-69.1	-88.1	1.8	110.9	V229	R220-V229 HydrophobicContact CB-CG2 4.48Å; R220-V229 HydrophobicContact CG-CG2 4.36Å
221	C	87.3	Confident	74.5	Confident	5 Å²	5	121.4 Å²	121.4	3%	0.034	60%	0.599	C	S	.	*			trans	-68.1	131.3	168.7	-169.3	0	0	0	0	111.2	C226 K228 L236 H239 H243	C221-C226 HydrophobicContact CB-CB 4.24Å; C221-K228 PolarHBondContact N-O 3.32Å; C221-L236 HydrophobicContact CB-CD1 3.97Å; C221-H239 VanDerWaalsContact SG-CD2 3.58Å; C221-H239 PolarHBondContact SG-NE2 3.47Å; C221-H243 PolarHBondContact SG-NE2 3.34Å; C221-H243 VanDerWaalsContact SG-NE2 3.43Å
222	Q	85.7	Confident	76.8	Confident	177 Å²	177	122.1 Å²	122.1	83%	0.827	59%	0.59	S	S	*	*			trans	-95.3	1.3	-178.8	-62.3	176.4	13	0	0	112.7
223	F	84.4	Confident	79.2	Confident	112 Å²	112	119.8 Å²	119.8	49%	0.491	58%	0.576	S	S	.	*	S	Bend	trans	-70	136.9	179.2	-167.6	-96.6	0	0	0	111	G225 C226 H243	F223-G225 PolarHBondContact O-N 2.95Å; F223-C226 HydrophobicContact CB-CB 4.02Å; F223-C226 HydrophobicContact CD1-CB 4.45Å; F223-C226 WeakPolarHBondContact O-CB 3.3Å; F223-C226 PolarHBondContact O-N 3.42Å; F223-H243 HydrophobicContact CB-CB 4.4Å; F223-H243 HydrophobicContact CD1-CB 4.29Å; F223-H243 AromaticContact CD1-CE1 3.68Å; F223-H243 AromaticContact CD1-CG 3.72Å; F223-H243 AromaticContact CD1-ND1 3.33Å; F223-H243 VanDerWaalsContact CD1-ND1 3.33Å; F223-H243 WeakPolarHBondContact CD1-ND1 3.34Å; F223-H243 HydrophobicContact CD2-CB 3.55Å; F223-H243 AromaticContact CD2-CG 3.75Å; F223-H243 HydrophobicContact CE1-CB 4.47Å; F223-H243 AromaticContact CE1-ND1 3.69Å; F223-H243 HydrophobicContact CE2-CB 3.77Å; F223-H243 HydrophobicContact CG-CB 3.83Å; F223-H243 AromaticContact CG-CD2 3.8Å; F223-H243 AromaticContact CG-CE1 3.99Å; F223-H243 AromaticContact CG-CG 3.44Å; F223-H243 VanDerWaalsContact CG-CG 3.44Å; F223-H243 AromaticContact CG-ND1 3.6Å; F223-H243 HydrophobicContact CZ-CB 4.22Å
224	N	82.8	Confident	81.1	Confident	157 Å²	157	113.6 Å²	113.6	84%	0.84	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	128.1	-177.2	-168.3	13.2	0	0	0	110.7	C226	N224-C226 VanDerWaalsContact C-N 3.28Å; N224-C226 PolarHBondContact O-N 3.39Å
225	G	81.6	Confident	82.8	Confident	68 Å²	68	111.6 Å²	111.6	70%	0.701	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-10.5	-175.1	0	0	0	0	0	115.8	F223	F223-G225 PolarHBondContact O-N 2.95Å
226	C	78.9	Confident	84.1	Confident	24 Å²	24	103 Å²	103	16%	0.162	50%	0.504	C	S	.	.			trans	-90	118.3	179.3	-166.9	0	0	0	0	112.7	C221 F223 N224 H239 H243	C221-C226 HydrophobicContact CB-CB 4.24Å; F223-C226 HydrophobicContact CB-CB 4.02Å; F223-C226 HydrophobicContact CD1-CB 4.45Å; F223-C226 WeakPolarHBondContact O-CB 3.3Å; F223-C226 PolarHBondContact O-N 3.42Å; N224-C226 VanDerWaalsContact C-N 3.28Å; N224-C226 PolarHBondContact O-N 3.39Å; C226-H239 VanDerWaalsContact SG-CE1 3.57Å; C226-H239 PolarHBondContact SG-NE2 2.97Å; C226-H243 PolarHBondContact SG-NE2 3.44Å; C226-H243 VanDerWaalsContact SG-NE2 3.41Å
227	R	85.1	Confident	85	Confident	221 Å²	221	101.3 Å²	101.3	83%	0.834	50%	0.497	S	S	*	.			trans	-102.3	15.1	179.4	-55.5	-175.4	-157.3	-132.6	2.6	114.1
228	K	85.6	Confident	85.3	Confident	126 Å²	126	91.8 Å²	91.8	55%	0.548	46%	0.464	S	S	.	.			trans	-74	139.2	-177.2	-63.5	-68.5	-175	178.5	0	111.4	C221 Y230	C221-K228 PolarHBondContact N-O 3.32Å; K228-Y230 HydrophobicContact CB-CE2 3.69Å
229	V	88.1	Confident	85.2	Confident	64 Å²	64	88 Å²	88	39%	0.388	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.1	-179	-176.3	0	0	0	0	108.9	V218 R220	V218-V229 HydrophobicContact CB-CG1 3.74Å; V218-V229 HydrophobicContact CG1-CG1 4.24Å; V218-V229 HydrophobicContact CG2-CG1 4.49Å; R220-V229 HydrophobicContact CB-CG2 4.48Å; R220-V229 HydrophobicContact CG-CG2 4.36Å
230	Y	87.7	Confident	85	Confident	54 Å²	54	88.2 Å²	88.2	21%	0.212	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.3	-176	-61.4	-86.5	0	0	0	110.5	H219 K228 K232 H235 L236 H239	H219-Y230 WeakPolarHBondContact CB-O 3.45Å; H219-Y230 PolarHBondContact N-O 3.32Å; H219-Y230 PolarHBondContact O-N 2.98Å; K228-Y230 HydrophobicContact CB-CE2 3.69Å; Y230-K232 VanDerWaalsContact C-N 3.35Å; Y230-H235 HydrophobicContact CD1-CB 3.58Å; Y230-H235 HydrophobicContact CE1-CB 4.38Å; Y230-H235 HydrophobicContact CG-CB 4.07Å; Y230-L236 HydrophobicContact CD2-CB 4Å; Y230-L236 HydrophobicContact CD2-CD1 3.78Å; Y230-L236 HydrophobicContact CE2-CD1 4.19Å; Y230-L236 HydrophobicContact CG-CB 4.31Å; Y230-H239 HydrophobicContact CD2-CB 4.43Å; Y230-H239 HydrophobicContact CE1-CB 4.19Å; Y230-H239 HydrophobicContact CE2-CB 3.54Å; Y230-H239 AromaticContact CE2-CD2 3.44Å; Y230-H239 VanDerWaalsContact CE2-CD2 3.44Å; Y230-H239 WeakPolarHBondContact CE2-CD2 3.39Å; Y230-H239 AromaticContact CE2-CG 3.48Å; Y230-H239 VanDerWaalsContact CE2-CG 3.48Å; Y230-H239 AromaticContact CZ-CD2 3.93Å; Y230-H239 AromaticContact CZ-CG 3.49Å; Y230-H239 VanDerWaalsContact CZ-CG 3.49Å; Y230-H239 VanDerWaalsContact OH-CB 3.28Å; Y230-H239 WeakPolarHBondContact OH-CB 3.24Å; Y230-H239 PolarHBondContact OH-ND1 3Å; Y230-H239 VanDerWaalsContact OH-ND1 3.16Å
231	T	88.8	Confident	84.6	Confident	90 Å²	90	83.6 Å²	83.6	55%	0.552	42%	0.423	S	S	*	.	S	Bend	trans	-84.8	-12	175.6	52.1	0	0	0	0	113.1
232	K	86.7	Confident	83.9	Confident	119 Å²	119	87.8 Å²	87.8	52%	0.517	45%	0.449	S	S	.	.	S	Bend	trans	-123.6	134.3	178.5	-63.7	-174.5	-179.3	-179.1	0	110.1	Y230 S234 H235 L236	Y230-K232 VanDerWaalsContact C-N 3.35Å; K232-S234 VanDerWaalsContact C-N 3.27Å; K232-S234 PolarHBondContact O-N 3.06Å; K232-H235 HydrophobicContact CB-CB 4.38Å; K232-H235 PolarHBondContact O-N 3.25Å; K232-L236 PolarHBondContact O-N 3.36Å
233	S	88.2	Confident	83.5	Confident	64 Å²	64	82 Å²	82	45%	0.448	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-35.1	176.8	60.1	0	0	0	0	112.5	H219 H235 L236 K237	H219-S233 PolarHBondContact CD2-N 3.02Å; H219-S233 VanDerWaalsContact CD2-N 3.32Å; H219-S233 PolarHBondContact NE2-N 2.96Å; S233-H235 VanDerWaalsContact C-N 3.34Å; S233-H235 PolarHBondContact O-N 3.25Å; S233-L236 PolarHBondContact O-N 3.13Å; S233-K237 WeakPolarHBondContact O-CG 3.05Å; S233-K237 PolarHBondContact O-N 3.46Å
234	S	86.1	Confident	83.1	Confident	69 Å²	69	80.9 Å²	80.9	48%	0.483	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175.7	55.9	0	0	0	0	112.5	K232 K237 A238	K232-S234 VanDerWaalsContact C-N 3.27Å; K232-S234 PolarHBondContact O-N 3.06Å; S234-K237 PolarHBondContact O-N 2.81Å; S234-A238 WeakPolarHBondContact O-CB 3.33Å; S234-A238 PolarHBondContact O-N 3.01Å
235	H	85.6	Confident	82.6	Confident	92 Å²	92	75.7 Å²	75.7	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-70.6	-38.2	176.8	-65.3	-174.6	0	0	0	111.5	Y230 K232 S233 A238 H239	Y230-H235 HydrophobicContact CD1-CB 3.58Å; Y230-H235 HydrophobicContact CE1-CB 4.38Å; Y230-H235 HydrophobicContact CG-CB 4.07Å; K232-H235 HydrophobicContact CB-CB 4.38Å; K232-H235 PolarHBondContact O-N 3.25Å; S233-H235 VanDerWaalsContact C-N 3.34Å; S233-H235 PolarHBondContact O-N 3.25Å; H235-A238 PolarHBondContact O-N 2.66Å; H235-H239 WeakPolarHBondContact O-CB 3.46Å; H235-H239 PolarHBondContact O-N 3.48Å
236	L	87.3	Confident	82.3	Confident	17 Å²	17	78.1 Å²	78.1	9%	0.089	40%	0.401	C	S	.	.	H	α-helix	trans	-61.3	-47.2	172.6	175.5	64	0	0	0	110.9	H219 C221 Y230 K232 S233 A238 H239 Q240	H219-L236 HydrophobicContact CB-CB 3.88Å; H219-L236 HydrophobicContact CB-CD2 3.67Å; H219-L236 HydrophobicContact CB-CG 4.32Å; C221-L236 HydrophobicContact CB-CD1 3.97Å; Y230-L236 HydrophobicContact CD2-CB 4Å; Y230-L236 HydrophobicContact CD2-CD1 3.78Å; Y230-L236 HydrophobicContact CE2-CD1 4.19Å; Y230-L236 HydrophobicContact CG-CB 4.31Å; K232-L236 PolarHBondContact O-N 3.36Å; S233-L236 PolarHBondContact O-N 3.13Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 2.95Å; L236-H239 CarbonylContact O-C 3.24Å; L236-H239 WeakPolarHBondContact O-CB 3.19Å; L236-H239 PolarHBondContact O-N 3.26Å; L236-H239 VanDerWaalsContact O-N 3.13Å; L236-Q240 HydrophobicContact CD1-CG 4.18Å; L236-Q240 HydrophobicContact CG-CG 4.35Å; L236-Q240 WeakPolarHBondContact O-CG 3.37Å; L236-Q240 PolarHBondContact O-N 3.44Å
237	K	84.6	Confident	82.4	Confident	133 Å²	133	79.3 Å²	79.3	58%	0.578	40%	0.404	S	S	*	.	H	α-helix	trans	-58.8	-44.9	177.5	-75.3	-175.7	178.4	-174	0	111.9	S233 S234 H239 Q240 R241	S233-K237 WeakPolarHBondContact O-CG 3.05Å; S233-K237 PolarHBondContact O-N 3.46Å; S234-K237 PolarHBondContact O-N 2.81Å; K237-H239 VanDerWaalsContact C-N 3.3Å; K237-H239 PolarHBondContact O-N 3.3Å; K237-Q240 PolarHBondContact O-N 2.7Å; K237-R241 PolarHBondContact O-N 3.26Å
238	A	79.9	Confident	82.3	Confident	15 Å²	15	71.9 Å²	71.9	12%	0.124	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-39.7	175.6	0	0	0	0	0	112.3	S234 H235 L236 R241 R262	S234-A238 WeakPolarHBondContact O-CB 3.33Å; S234-A238 PolarHBondContact O-N 3.01Å; H235-A238 PolarHBondContact O-N 2.66Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 2.95Å; A238-R241 WeakPolarHBondContact O-CB 3.45Å; A238-R241 PolarHBondContact O-N 3.01Å; A238-R262 HydrophobicContact CB-CG 3.92Å
239	H	82.2	Confident	82.3	Confident	22 Å²	22	69.5 Å²	69.5	10%	0.102	37%	0.372	C	S	.	.	H	α-helix	trans	-67.6	-39.3	173.8	168.6	61.7	0	0	0	112.8	C221 C226 Y230 H235 L236 K237 R241 T242 H243	C221-H239 VanDerWaalsContact SG-CD2 3.58Å; C221-H239 PolarHBondContact SG-NE2 3.47Å; C226-H239 VanDerWaalsContact SG-CE1 3.57Å; C226-H239 PolarHBondContact SG-NE2 2.97Å; Y230-H239 HydrophobicContact CD2-CB 4.43Å; Y230-H239 HydrophobicContact CE1-CB 4.19Å; Y230-H239 HydrophobicContact CE2-CB 3.54Å; Y230-H239 AromaticContact CE2-CD2 3.44Å; Y230-H239 VanDerWaalsContact CE2-CD2 3.44Å; Y230-H239 WeakPolarHBondContact CE2-CD2 3.39Å; Y230-H239 AromaticContact CE2-CG 3.48Å; Y230-H239 VanDerWaalsContact CE2-CG 3.48Å; Y230-H239 AromaticContact CZ-CD2 3.93Å; Y230-H239 AromaticContact CZ-CG 3.49Å; Y230-H239 VanDerWaalsContact CZ-CG 3.49Å; Y230-H239 VanDerWaalsContact OH-CB 3.28Å; Y230-H239 WeakPolarHBondContact OH-CB 3.24Å; Y230-H239 PolarHBondContact OH-ND1 3Å; Y230-H239 VanDerWaalsContact OH-ND1 3.16Å; H235-H239 WeakPolarHBondContact O-CB 3.46Å; H235-H239 PolarHBondContact O-N 3.48Å; L236-H239 CarbonylContact O-C 3.24Å; L236-H239 WeakPolarHBondContact O-CB 3.19Å; L236-H239 PolarHBondContact O-N 3.26Å; L236-H239 VanDerWaalsContact O-N 3.13Å; K237-H239 VanDerWaalsContact C-N 3.3Å; K237-H239 PolarHBondContact O-N 3.3Å; H239-R241 PolarHBondContact O-N 3.44Å; H239-T242 WeakPolarHBondContact O-CB 3.38Å; H239-T242 PolarHBondContact O-N 3.31Å; H239-T242 PolarHBondContact O-OG1 3.31Å; H239-H243 AromaticContact CD2-NE2 3.97Å; H239-H243 AromaticContact CE1-CE1 3.96Å; H239-H243 AromaticContact CE1-NE2 3.27Å; H239-H243 PolarHBondContact CE1-NE2 3.26Å; H239-H243 VanDerWaalsContact CE1-NE2 3.27Å; H239-H243 AromaticContact NE2-CD2 3.81Å; H239-H243 AromaticContact NE2-NE2 3.03Å; H239-H243 PolarHBondContact NE2-NE2 3.21Å
240	Q	81.5	Confident	82.2	Confident	67 Å²	67	71.7 Å²	71.7	31%	0.313	38%	0.376	S	S	.	.	H	α-helix	trans	-59.2	-30.3	178.3	-74.7	174	-52.4	0	0	112.3	L236 K237 T242 H243 T244	L236-Q240 HydrophobicContact CD1-CG 4.18Å; L236-Q240 HydrophobicContact CG-CG 4.35Å; L236-Q240 WeakPolarHBondContact O-CG 3.37Å; L236-Q240 PolarHBondContact O-N 3.44Å; K237-Q240 PolarHBondContact O-N 2.7Å; Q240-T242 PolarHBondContact O-N 2.9Å; Q240-H243 WeakPolarHBondContact O-CB 3.3Å; Q240-H243 PolarHBondContact O-N 3.1Å; Q240-T244 PolarHBondContact O-N 2.62Å
241	R	78.7	Confident	82.1	Confident	59 Å²	59	69.2 Å²	69.2	22%	0.223	37%	0.367	C	S	.	.	H	α-helix	trans	-61	-23.3	172.5	-65.9	-178	-173.5	132.5	4.6	114	K237 A238 H239 H243 T244 G245 E246 A261	K237-R241 PolarHBondContact O-N 3.26Å; A238-R241 WeakPolarHBondContact O-CB 3.45Å; A238-R241 PolarHBondContact O-N 3.01Å; H239-R241 PolarHBondContact O-N 3.44Å; R241-H243 PolarHBondContact O-N 3.18Å; R241-T244 WeakPolarHBondContact CA-OG1 3.48Å; R241-G245 WeakPolarHBondContact O-CA 3.38Å; R241-G245 PolarHBondContact O-N 3.47Å; R241-E246 HydrophobicContact CB-CB 4.46Å; R241-E246 HydrophobicContact CG-CB 4.25Å; R241-E246 PolarHBondContact O-N 3.23Å; R241-A261 HydrophobicContact CB-CB 4.11Å; R241-A261 VanDerWaalsContact CD-O 3.22Å; R241-A261 WeakPolarHBondContact CD-O 3.25Å; R241-A261 PolarHBondContact NH1-O 2.98Å
242	T	73.4	Confident	82	Confident	93 Å²	93	69.5 Å²	69.5	57%	0.571	37%	0.372	S	S	*	.	H	α-helix	trans	-72.2	-22	174.3	73.1	0	0	0	0	112.3	H239 Q240	H239-T242 WeakPolarHBondContact O-CB 3.38Å; H239-T242 PolarHBondContact O-N 3.31Å; H239-T242 PolarHBondContact O-OG1 3.31Å; Q240-T242 PolarHBondContact O-N 2.9Å
243	H	77.2	Confident	81.9	Confident	56 Å²	56	68.9 Å²	68.9	26%	0.259	37%	0.367	S	S	.	.	H	α-helix	trans	-88.8	-37.1	175.7	-62.4	-55.8	0	0	0	112	C221 F223 C226 H239 Q240 R241 G245	C221-H243 PolarHBondContact SG-NE2 3.34Å; C221-H243 VanDerWaalsContact SG-NE2 3.43Å; F223-H243 HydrophobicContact CB-CB 4.4Å; F223-H243 HydrophobicContact CD1-CB 4.29Å; F223-H243 AromaticContact CD1-CE1 3.68Å; F223-H243 AromaticContact CD1-CG 3.72Å; F223-H243 AromaticContact CD1-ND1 3.33Å; F223-H243 VanDerWaalsContact CD1-ND1 3.33Å; F223-H243 WeakPolarHBondContact CD1-ND1 3.34Å; F223-H243 HydrophobicContact CD2-CB 3.55Å; F223-H243 AromaticContact CD2-CG 3.75Å; F223-H243 HydrophobicContact CE1-CB 4.47Å; F223-H243 AromaticContact CE1-ND1 3.69Å; F223-H243 HydrophobicContact CE2-CB 3.77Å; F223-H243 HydrophobicContact CG-CB 3.83Å; F223-H243 AromaticContact CG-CD2 3.8Å; F223-H243 AromaticContact CG-CE1 3.99Å; F223-H243 AromaticContact CG-CG 3.44Å; F223-H243 VanDerWaalsContact CG-CG 3.44Å; F223-H243 AromaticContact CG-ND1 3.6Å; F223-H243 HydrophobicContact CZ-CB 4.22Å; C226-H243 PolarHBondContact SG-NE2 3.44Å; C226-H243 VanDerWaalsContact SG-NE2 3.41Å; H239-H243 AromaticContact CD2-NE2 3.97Å; H239-H243 AromaticContact CE1-CE1 3.96Å; H239-H243 AromaticContact CE1-NE2 3.27Å; H239-H243 PolarHBondContact CE1-NE2 3.26Å; H239-H243 VanDerWaalsContact CE1-NE2 3.27Å; H239-H243 AromaticContact NE2-CD2 3.81Å; H239-H243 AromaticContact NE2-NE2 3.03Å; H239-H243 PolarHBondContact NE2-NE2 3.21Å; Q240-H243 WeakPolarHBondContact O-CB 3.3Å; Q240-H243 PolarHBondContact O-N 3.1Å; R241-H243 PolarHBondContact O-N 3.18Å; H243-G245 VanDerWaalsContact C-N 3.35Å
244	T	75.7	Confident	81.5	Confident	89 Å²	89	74 Å²	74	55%	0.546	38%	0.384	S	S	.	.	H	α-helix	trans	-82.7	-14.8	179.9	63	0	0	0	0	113.2	Q240 R241 E246	Q240-T244 PolarHBondContact O-N 2.62Å; R241-T244 WeakPolarHBondContact CA-OG1 3.48Å; T244-E246 PolarHBondContact O-N 3.49Å; T244-E246 WeakPolarHBondContact OG1-CB 3.38Å; T244-E246 VanDerWaalsContact OG1-CG 3.31Å; T244-E246 WeakPolarHBondContact OG1-CG 3.43Å; T244-E246 PolarHBondContact OG1-N 3.47Å
245	G	71.3	Confident	81	Confident	48 Å²	48	73.3 Å²	73.3	50%	0.495	39%	0.388	S	S	.	.			trans	73	3.9	-173	0	0	0	0	0	113.9	R241 H243 K247	R241-G245 WeakPolarHBondContact O-CA 3.38Å; R241-G245 PolarHBondContact O-N 3.47Å; H243-G245 VanDerWaalsContact C-N 3.35Å; G245-K247 PolarHBondContact O-N 2.96Å
246	E	76.6	Confident	80.5	Confident	119 Å²	119	69.1 Å²	69.1	56%	0.556	37%	0.369	S	S	*	.			trans	-65	119.9	-177.6	-74.6	-175.3	176.8	0	0	112.1	R241 T244 P248	R241-E246 HydrophobicContact CB-CB 4.46Å; R241-E246 HydrophobicContact CG-CB 4.25Å; R241-E246 PolarHBondContact O-N 3.23Å; T244-E246 PolarHBondContact O-N 3.49Å; T244-E246 WeakPolarHBondContact OG1-CB 3.38Å; T244-E246 VanDerWaalsContact OG1-CG 3.31Å; T244-E246 WeakPolarHBondContact OG1-CG 3.43Å; T244-E246 PolarHBondContact OG1-N 3.47Å; E246-P248 WeakPolarHBondContact O-CD 3.21Å
247	K	79.4	Confident	80	Confident	49 Å²	49	73.9 Å²	73.9	21%	0.213	39%	0.391	C	S	.	.			trans	-120.9	80.7	177	-71.1	168.3	177.6	172.4	0	110.2	A64 S65 G245 Y249 R259 F260 A261	A64-K247 PolarHBondContact O-NZ 3.28Å; A64-K247 VanDerWaalsContact O-NZ 3.15Å; S65-K247 VanDerWaalsContact CB-CD 3.44Å; S65-K247 PolarHBondContact OG-NZ 3.06Å; G245-K247 PolarHBondContact O-N 2.96Å; K247-Y249 VanDerWaalsContact C-N 3.3Å; K247-Y249 PolarHBondContact O-N 3.36Å; K247-R259 HydrophobicContact CB-CB 3.6Å; K247-R259 WeakPolarHBondContact CD-O 3.33Å; K247-R259 PolarHBondContact O-NE 3.46Å; K247-R259 PolarHBondContact O-NH2 3.4Å; K247-R259 VanDerWaalsContact O-NH2 3.14Å; K247-F260 CarbonylContact C-O 3.52Å; K247-F260 VanDerWaalsContact CA-O 3.28Å; K247-F260 WeakPolarHBondContact CA-O 3.34Å; K247-A261 HydrophobicContact CG-CB 4.45Å
248	P	83.7	Confident	79.5	Confident	65 Å²	65	69 Å²	69	42%	0.422	37%	0.369	S	S	.	.			trans	-71.8	-23.5	-173.9	26.7	-32.8	0	0	0	113	E246 K250	E246-P248 WeakPolarHBondContact O-CD 3.21Å; P248-K250 PolarHBondContact O-N 3.35Å
249	Y	85.6	Confident	79.5	Confident	76 Å²	76	73.4 Å²	73.4	30%	0.298	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.7	-174	-58.2	-76.4	0	0	0	110.7	K247 R259 F260 A261	K247-Y249 VanDerWaalsContact C-N 3.3Å; K247-Y249 PolarHBondContact O-N 3.36Å; Y249-R259 CarbonylContact O-C 3.6Å; Y249-R259 VanDerWaalsContact O-CA 3.28Å; Y249-R259 WeakPolarHBondContact O-CA 3.49Å; Y249-F260 WeakPolarHBondContact CD2-O 3.38Å; Y249-F260 PolarHBondContact N-O 3.42Å; Y249-F260 VanDerWaalsContact N-O 3.15Å; Y249-F260 PolarHBondContact O-N 2.94Å; Y249-A261 WeakPolarHBondContact CE2-O 3.35Å
250	K	85.9	Confident	79.3	Confident	110 Å²	110	72.4 Å²	72.4	48%	0.478	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.5	176.1	-168.2	-170.9	173.4	179.5	0	110.4	P248 R259	P248-K250 PolarHBondContact O-N 3.35Å; K250-R259 HydrophobicContact CG-CG 4.36Å
251	C	85.7	Confident	79.2	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.014	37%	0.365	C	S	.	.			trans	-65.1	132.8	165.5	-167.6	0	0	0	0	110.9	C256 W258 L266 H269 H273	C251-C256 HydrophobicContact CB-CB 4.11Å; C251-C256 VanDerWaalsContact CB-SG 3.58Å; C251-C256 VanDerWaalsContact SG-SG 3.62Å; C251-W258 PolarHBondContact N-O 3.42Å; C251-L266 HydrophobicContact CB-CD1 4.12Å; C251-H269 VanDerWaalsContact SG-CD2 3.57Å; C251-H269 PolarHBondContact SG-NE2 3.08Å; C251-H269 VanDerWaalsContact SG-NE2 3.4Å; C251-H273 PolarHBondContact SG-NE2 2.69Å
252	S	86.8	Confident	79.3	Confident	95 Å²	95	70.8 Å²	70.8	66%	0.664	37%	0.37	S	S	*	.			trans	-95	11.5	177.6	61.2	0	0	0	0	113.3
253	W	83.9	Confident	80	Confident	107 Å²	107	69.3 Å²	69.3	41%	0.405	36%	0.363	S	S	.	.	S	Bend	trans	-82.3	136.1	178	-170.4	-89.1	0	0	0	110.5	G255 C256 Y270 H273	W253-G255 PolarHBondContact O-N 3.19Å; W253-C256 HydrophobicContact CB-CB 3.9Å; W253-C256 VanDerWaalsContact O-CB 3.3Å; W253-C256 WeakPolarHBondContact O-CB 3.44Å; W253-C256 PolarHBondContact O-N 3.28Å; W253-Y270 HydrophobicContact CE3-CE2 4.24Å; W253-H273 AromaticContact CD1-CE1 3.79Å; W253-H273 AromaticContact CD1-CG 3.9Å; W253-H273 AromaticContact CD1-ND1 3.55Å; W253-H273 HydrophobicContact CD2-CB 3.44Å; W253-H273 VanDerWaalsContact CD2-CB 3.44Å; W253-H273 AromaticContact CD2-CG 3.54Å; W253-H273 AromaticContact CD2-ND1 3.95Å; W253-H273 AromaticContact CE2-CG 3.97Å; W253-H273 HydrophobicContact CE3-CB 3.43Å; W253-H273 VanDerWaalsContact CE3-CB 3.43Å; W253-H273 AromaticContact CE3-CG 3.96Å; W253-H273 HydrophobicContact CG-CB 3.98Å; W253-H273 AromaticContact CG-CD2 3.72Å; W253-H273 AromaticContact CG-CE1 3.9Å; W253-H273 AromaticContact CG-CG 3.49Å; W253-H273 VanDerWaalsContact CG-CG 3.49Å; W253-H273 AromaticContact CG-ND1 3.64Å; W253-H273 AromaticContact CG-NE2 3.98Å; W253-H273 HydrophobicContact CH2-CB 4Å; W253-H273 HydrophobicContact CZ2-CB 4.03Å; W253-H273 HydrophobicContact CZ3-CB 3.71Å; W253-H273 AromaticContact NE1-ND1 3.78Å
254	E	80.3	Confident	80.4	Confident	171 Å²	171	70.5 Å²	70.5	80%	0.799	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	127.7	-179.3	-66.2	-60.4	143.1	0	0	111.3	C256	E254-C256 VanDerWaalsContact C-N 3.27Å; E254-C256 PolarHBondContact O-N 2.65Å
255	G	76.5	Confident	80.7	Confident	55 Å²	55	66.7 Å²	66.7	57%	0.567	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	13.4	-174	0	0	0	0	0	114.9	R76 W253	R76-G255 VanDerWaalsContact CZ-O 3.27Å; R76-G255 PolarHBondContact NH1-O 3.01Å; R76-G255 PolarHBondContact NH2-O 2.89Å; W253-G255 PolarHBondContact O-N 3.19Å
256	C	73.7	Confident	81.4	Confident	4 Å²	4	66 Å²	66	3%	0.027	33%	0.333	C	S	.	.			trans	-112	110.4	172.9	-169.9	0	0	0	0	111.3	C251 W253 E254 W258 H269 H273	C251-C256 HydrophobicContact CB-CB 4.11Å; C251-C256 VanDerWaalsContact CB-SG 3.58Å; C251-C256 VanDerWaalsContact SG-SG 3.62Å; W253-C256 HydrophobicContact CB-CB 3.9Å; W253-C256 VanDerWaalsContact O-CB 3.3Å; W253-C256 WeakPolarHBondContact O-CB 3.44Å; W253-C256 PolarHBondContact O-N 3.28Å; E254-C256 VanDerWaalsContact C-N 3.27Å; E254-C256 PolarHBondContact O-N 2.65Å; C256-W258 VanDerWaalsContact SG-CD1 3.53Å; C256-H269 PolarHBondContact SG-NE2 2.98Å; C256-H273 PolarHBondContact SG-NE2 3.43Å
257	E	77.7	Confident	81.9	Confident	117 Å²	117	64.1 Å²	64.1	55%	0.547	33%	0.329	S	S	.	.			trans	-100.6	7.1	-178.7	-57.3	-158.9	139.1	0	0	114	R259	E257-R259 PolarHBondContact O-N 2.93Å
258	W	73.6	Confident	82	Confident	31 Å²	31	63.8 Å²	63.8	12%	0.117	33%	0.327	C	S	.	.			trans	-65	135	-176.1	-71	84.7	0	0	0	111.9	F61 A64 C251 C256 F260	F61-W258 AromaticContact CD2-CH2 3.7Å; F61-W258 HydrophobicContact CD2-CH2 3.7Å; F61-W258 HydrophobicContact CD2-CZ2 4.4Å; F61-W258 HydrophobicContact CE2-CH2 4.28Å; F61-W258 HydrophobicContact CG-CH2 4.42Å; A64-W258 HydrophobicContact CB-CD2 4.19Å; A64-W258 HydrophobicContact CB-CE3 3.17Å; A64-W258 HydrophobicContact CB-CZ3 3.6Å; C251-W258 PolarHBondContact N-O 3.42Å; C256-W258 VanDerWaalsContact SG-CD1 3.53Å; W258-F260 HydrophobicContact CB-CE2 3.9Å; W258-F260 HydrophobicContact CB-CZ 4.01Å
259	R	80.1	Confident	81.9	Confident	106 Å²	106	61.2 Å²	61.2	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.3	178.7	-50.9	-175.8	68.5	101.4	3.7	110.9	A64 S65 K247 Y249 K250 E257	A64-R259 WeakPolarHBondContact CA-O 3.36Å; S65-R259 PolarHBondContact N-O 3.47Å; S65-R259 VanDerWaalsContact N-O 3.15Å; K247-R259 HydrophobicContact CB-CB 3.6Å; K247-R259 WeakPolarHBondContact CD-O 3.33Å; K247-R259 PolarHBondContact O-NE 3.46Å; K247-R259 PolarHBondContact O-NH2 3.4Å; K247-R259 VanDerWaalsContact O-NH2 3.14Å; Y249-R259 CarbonylContact O-C 3.6Å; Y249-R259 VanDerWaalsContact O-CA 3.28Å; Y249-R259 WeakPolarHBondContact O-CA 3.49Å; K250-R259 HydrophobicContact CG-CG 4.36Å; E257-R259 PolarHBondContact O-N 2.93Å
260	F	79.1	Confident	81.8	Confident	1 Å²	1	62 Å²	62	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.9	-174.5	-58.9	-88.7	0	0	0	111.4	A64 K247 Y249 W258 E265 L266 H269	A64-F260 HydrophobicContact CB-CD1 3.79Å; A64-F260 HydrophobicContact CB-CE1 3.37Å; A64-F260 HydrophobicContact CB-CZ 3.73Å; K247-F260 CarbonylContact C-O 3.52Å; K247-F260 VanDerWaalsContact CA-O 3.28Å; K247-F260 WeakPolarHBondContact CA-O 3.34Å; Y249-F260 WeakPolarHBondContact CD2-O 3.38Å; Y249-F260 PolarHBondContact N-O 3.42Å; Y249-F260 VanDerWaalsContact N-O 3.15Å; Y249-F260 PolarHBondContact O-N 2.94Å; W258-F260 HydrophobicContact CB-CE2 3.9Å; W258-F260 HydrophobicContact CB-CZ 4.01Å; F260-E265 HydrophobicContact CB-CB 4.02Å; F260-E265 HydrophobicContact CD1-CB 3.69Å; F260-E265 HydrophobicContact CG-CB 4.15Å; F260-L266 HydrophobicContact CB-CB 4.26Å; F260-L266 HydrophobicContact CD2-CB 3.93Å; F260-L266 HydrophobicContact CD2-CD1 3.8Å; F260-L266 HydrophobicContact CD2-CG 4.47Å; F260-L266 HydrophobicContact CE2-CD1 4.02Å; F260-L266 HydrophobicContact CG-CB 4.21Å; F260-H269 HydrophobicContact CE1-CB 3.74Å; F260-H269 HydrophobicContact CE2-CB 3.77Å; F260-H269 AromaticContact CE2-CD2 3.56Å; F260-H269 AromaticContact CE2-CG 3.58Å; F260-H269 HydrophobicContact CZ-CB 3.25Å; F260-H269 AromaticContact CZ-CD2 3.64Å; F260-H269 AromaticContact CZ-CG 3.16Å; F260-H269 AromaticContact CZ-ND1 3.49Å; F260-H269 WeakPolarHBondContact CZ-ND1 2.98Å
261	A	78.6	Confident	81.6	Confident	8 Å²	8	60.4 Å²	60.4	7%	0.066	30%	0.303	C	S	.	.	S	Bend	trans	-81.1	-24.7	178.3	0	0	0	0	0	111.7	R241 K247 Y249 E265	R241-A261 HydrophobicContact CB-CB 4.11Å; R241-A261 VanDerWaalsContact CD-O 3.22Å; R241-A261 WeakPolarHBondContact CD-O 3.25Å; R241-A261 PolarHBondContact NH1-O 2.98Å; K247-A261 HydrophobicContact CG-CB 4.45Å; Y249-A261 WeakPolarHBondContact CE2-O 3.35Å; A261-E265 PolarHBondContact N-OE2 3.49Å
262	R	81.6	Confident	81	Confident	84 Å²	84	63.5 Å²	63.5	32%	0.317	32%	0.316	S	S	.	.	S	Bend	trans	-128.8	154.4	-179.8	-51.3	-177.2	-82.2	159.2	-10.2	113	A238 D264 E265 L266	A238-R262 HydrophobicContact CB-CG 3.92Å; R262-D264 WeakPolarHBondContact CB-OD1 3.4Å; R262-D264 IonicContact CZ-OD2 3.96Å; R262-D264 IonicContact NE-OD1 3.78Å; R262-D264 IonicContact NH1-OD1 2.65Å; R262-D264 IonicContact NH1-OD2 2.96Å; R262-D264 PolarHBondContact NH1-OD2 3.47Å; R262-E265 HydrophobicContact CB-CG 4.11Å; R262-E265 IonicContact CZ-OE1 3.49Å; R262-E265 PolarHBondContact N-OE2 3.21Å; R262-E265 VanDerWaalsContact N-OE2 3.08Å; R262-E265 VanDerWaalsContact NE-CD 3.32Å; R262-E265 IonicContact NE-OE1 3.95Å; R262-E265 PolarHBondContact NE-OE1 2.78Å; R262-E265 IonicContact NE-OE2 3.59Å; R262-E265 IonicContact NH2-OE1 2.89Å; R262-E265 PolarHBondContact NH2-OE1 3.29Å; R262-E265 PolarHBondContact O-N 3.32Å; R262-L266 PolarHBondContact O-N 3.41Å
263	S	87.4	Confident	80.5	Confident	62 Å²	62	61.2 Å²	61.2	43%	0.434	30%	0.295	S	S	.	.	H	α-helix	trans	-72.2	-34.3	-179.4	55.9	0	0	0	0	112.6	E265 L266 T267	S263-E265 VanDerWaalsContact C-N 3.31Å; S263-E265 PolarHBondContact O-N 3.04Å; S263-L266 PolarHBondContact O-N 3.07Å; S263-T267 PolarHBondContact O-N 3.3Å; S263-T267 PolarHBondContact O-OG1 2.77Å; S263-T267 VanDerWaalsContact O-OG1 3.08Å
264	D	84.7	Confident	80.4	Confident	81 Å²	81	59.5 Å²	59.5	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-37.8	174.4	56.6	-42	0	0	0	111.9	R262 R268	R262-D264 WeakPolarHBondContact CB-OD1 3.4Å; R262-D264 IonicContact CZ-OD2 3.96Å; R262-D264 IonicContact NE-OD1 3.78Å; R262-D264 IonicContact NH1-OD1 2.65Å; R262-D264 IonicContact NH1-OD2 2.96Å; R262-D264 PolarHBondContact NH1-OD2 3.47Å; D264-R268 VanDerWaalsContact O-CB 3.3Å; D264-R268 WeakPolarHBondContact O-CB 3.2Å; D264-R268 PolarHBondContact O-N 3.21Å
265	E	82	Confident	80.2	Confident	9 Å²	9	53.8 Å²	53.8	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-44.4	174.2	-65.1	168.1	169.4	0	0	111.7	F260 A261 R262 S263 R268 H269	F260-E265 HydrophobicContact CB-CB 4.02Å; F260-E265 HydrophobicContact CD1-CB 3.69Å; F260-E265 HydrophobicContact CG-CB 4.15Å; A261-E265 PolarHBondContact N-OE2 3.49Å; R262-E265 HydrophobicContact CB-CG 4.11Å; R262-E265 IonicContact CZ-OE1 3.49Å; R262-E265 PolarHBondContact N-OE2 3.21Å; R262-E265 VanDerWaalsContact N-OE2 3.08Å; R262-E265 VanDerWaalsContact NE-CD 3.32Å; R262-E265 IonicContact NE-OE1 3.95Å; R262-E265 PolarHBondContact NE-OE1 2.78Å; R262-E265 IonicContact NE-OE2 3.59Å; R262-E265 IonicContact NH2-OE1 2.89Å; R262-E265 PolarHBondContact NH2-OE1 3.29Å; R262-E265 PolarHBondContact O-N 3.32Å; S263-E265 VanDerWaalsContact C-N 3.31Å; S263-E265 PolarHBondContact O-N 3.04Å; E265-R268 PolarHBondContact O-N 3.46Å; E265-H269 WeakPolarHBondContact O-CB 3.31Å; E265-H269 PolarHBondContact O-N 3Å
266	L	86.8	Confident	80.3	Confident	35 Å²	35	53 Å²	53	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-47.3	175.1	172.2	61.5	0	0	0	111.5	C251 F260 R262 S263 R268 H269 Y270	C251-L266 HydrophobicContact CB-CD1 4.12Å; F260-L266 HydrophobicContact CB-CB 4.26Å; F260-L266 HydrophobicContact CD2-CB 3.93Å; F260-L266 HydrophobicContact CD2-CD1 3.8Å; F260-L266 HydrophobicContact CD2-CG 4.47Å; F260-L266 HydrophobicContact CE2-CD1 4.02Å; F260-L266 HydrophobicContact CG-CB 4.21Å; R262-L266 PolarHBondContact O-N 3.41Å; S263-L266 PolarHBondContact O-N 3.07Å; L266-R268 VanDerWaalsContact C-N 3.28Å; L266-R268 PolarHBondContact O-N 3.26Å; L266-H269 WeakPolarHBondContact O-CB 3.42Å; L266-H269 PolarHBondContact O-N 3.32Å; L266-Y270 WeakPolarHBondContact O-CB 3.2Å; L266-Y270 PolarHBondContact O-N 3.36Å
267	T	86.6	Confident	80.8	Confident	78 Å²	78	58.5 Å²	58.5	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-41.3	178.4	-61	0	0	0	0	111.3	S263 Y270 R271	S263-T267 PolarHBondContact O-N 3.3Å; S263-T267 PolarHBondContact O-OG1 2.77Å; S263-T267 VanDerWaalsContact O-OG1 3.08Å; T267-Y270 PolarHBondContact O-N 3.03Å; T267-R271 PolarHBondContact O-N 2.99Å
268	R	81.6	Confident	81.1	Confident	43 Å²	43	56.7 Å²	56.7	16%	0.162	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-43.2	176.8	-175.1	176.4	74.4	-179.9	1.9	111.9	H63 D264 E265 L266 Y270 R271 R290	H63-R268 PolarHBondContact CD2-NH2 3.46Å; D264-R268 VanDerWaalsContact O-CB 3.3Å; D264-R268 WeakPolarHBondContact O-CB 3.2Å; D264-R268 PolarHBondContact O-N 3.21Å; E265-R268 PolarHBondContact O-N 3.46Å; L266-R268 VanDerWaalsContact C-N 3.28Å; L266-R268 PolarHBondContact O-N 3.26Å; R268-Y270 VanDerWaalsContact C-N 3.31Å; R268-Y270 PolarHBondContact O-N 3.41Å; R268-R271 WeakPolarHBondContact O-CB 3.42Å; R268-R271 PolarHBondContact O-N 2.8Å; R268-R290 HydrophobicContact CG-CG 4.08Å; R268-R290 VanDerWaalsContact CZ-NH1 3.32Å; R268-R290 VanDerWaalsContact NH1-CZ 3.3Å
269	H	82.7	Confident	81.8	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.046	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-41.2	173	169.2	81.8	0	0	0	111.8	C251 C256 F260 E265 L266 R271 K272 H273	C251-H269 VanDerWaalsContact SG-CD2 3.57Å; C251-H269 PolarHBondContact SG-NE2 3.08Å; C251-H269 VanDerWaalsContact SG-NE2 3.4Å; C256-H269 PolarHBondContact SG-NE2 2.98Å; F260-H269 HydrophobicContact CE1-CB 3.74Å; F260-H269 HydrophobicContact CE2-CB 3.77Å; F260-H269 AromaticContact CE2-CD2 3.56Å; F260-H269 AromaticContact CE2-CG 3.58Å; F260-H269 HydrophobicContact CZ-CB 3.25Å; F260-H269 AromaticContact CZ-CD2 3.64Å; F260-H269 AromaticContact CZ-CG 3.16Å; F260-H269 AromaticContact CZ-ND1 3.49Å; F260-H269 WeakPolarHBondContact CZ-ND1 2.98Å; E265-H269 WeakPolarHBondContact O-CB 3.31Å; E265-H269 PolarHBondContact O-N 3Å; L266-H269 WeakPolarHBondContact O-CB 3.42Å; L266-H269 PolarHBondContact O-N 3.32Å; H269-R271 PolarHBondContact O-N 3.27Å; H269-K272 WeakPolarHBondContact O-CB 3.19Å; H269-K272 WeakPolarHBondContact O-CG 3.15Å; H269-K272 PolarHBondContact O-N 3.41Å; H269-H273 AromaticContact CD2-NE2 3.71Å; H269-H273 AromaticContact CE1-NE2 3.63Å; H269-H273 AromaticContact NE2-CD2 3.86Å; H269-H273 AromaticContact NE2-CE1 3.9Å; H269-H273 AromaticContact NE2-NE2 2.99Å; H269-H273 PolarHBondContact NE2-NE2 3.1Å
270	Y	82.8	Confident	82.1	Confident	92 Å²	92	58.4 Å²	58.4	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-32.1	179.7	-163.2	-96.3	0	0	0	112.8	W253 L266 T267 R268 K272 H273 T274	W253-Y270 HydrophobicContact CE3-CE2 4.24Å; L266-Y270 WeakPolarHBondContact O-CB 3.2Å; L266-Y270 PolarHBondContact O-N 3.36Å; T267-Y270 PolarHBondContact O-N 3.03Å; R268-Y270 VanDerWaalsContact C-N 3.31Å; R268-Y270 PolarHBondContact O-N 3.41Å; Y270-K272 PolarHBondContact O-N 3.26Å; Y270-K272 VanDerWaalsContact O-N 3.16Å; Y270-H273 WeakPolarHBondContact O-CB 3.49Å; Y270-H273 PolarHBondContact O-N 3.02Å; Y270-H273 VanDerWaalsContact O-N 3.07Å; Y270-T274 HydrophobicContact CD1-CG2 3.84Å; Y270-T274 HydrophobicContact CE1-CG2 3.53Å; Y270-T274 PolarHBondContact O-N 3.26Å
271	R	81.9	Confident	82.4	Confident	78 Å²	78	58.4 Å²	58.4	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-23.6	173.9	-67.5	179	-176	170.1	1.3	113.6	T267 R268 H269 T274 G275 A276 S289	T267-R271 PolarHBondContact O-N 2.99Å; R268-R271 WeakPolarHBondContact O-CB 3.42Å; R268-R271 PolarHBondContact O-N 2.8Å; H269-R271 PolarHBondContact O-N 3.27Å; R271-T274 PolarHBondContact O-OG1 3.13Å; R271-G275 CarbonylContact O-C 3.5Å; R271-G275 WeakPolarHBondContact O-CA 3.4Å; R271-G275 PolarHBondContact O-N 3.17Å; R271-A276 HydrophobicContact CB-CB 4.32Å; R271-A276 HydrophobicContact CG-CB 4.26Å; R271-A276 PolarHBondContact O-N 3.19Å; R271-S289 PolarHBondContact NH1-O 3.49Å
272	K	72.1	Confident	82.9	Confident	67 Å²	67	65.1 Å²	65.1	29%	0.291	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-41.5	174.6	-62.4	-175.7	163.8	-159.4	0	111.7	D57 C60 H269 Y270 T274 G275	D57-K272 PolarHBondContact O-NZ 3.43Å; D57-K272 WeakPolarHBondContact OD1-CE 3.48Å; D57-K272 IonicContact OD1-NZ 2.9Å; D57-K272 PolarHBondContact OD1-NZ 3.39Å; C60-K272 HydrophobicContact CB-CD 4.5Å; C60-K272 WeakPolarHBondContact SG-CE 3.42Å; H269-K272 WeakPolarHBondContact O-CB 3.19Å; H269-K272 WeakPolarHBondContact O-CG 3.15Å; H269-K272 PolarHBondContact O-N 3.41Å; Y270-K272 PolarHBondContact O-N 3.26Å; Y270-K272 VanDerWaalsContact O-N 3.16Å; K272-T274 VanDerWaalsContact C-N 3.34Å; K272-G275 PolarHBondContact O-N 3.42Å
273	H	78	Confident	83.1	Confident	46 Å²	46	67.2 Å²	67.2	21%	0.213	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-39	177.1	-63.3	-50.8	0	0	0	112	C251 W253 C256 H269 Y270	C251-H273 PolarHBondContact SG-NE2 2.69Å; W253-H273 AromaticContact CD1-CE1 3.79Å; W253-H273 AromaticContact CD1-CG 3.9Å; W253-H273 AromaticContact CD1-ND1 3.55Å; W253-H273 HydrophobicContact CD2-CB 3.44Å; W253-H273 VanDerWaalsContact CD2-CB 3.44Å; W253-H273 AromaticContact CD2-CG 3.54Å; W253-H273 AromaticContact CD2-ND1 3.95Å; W253-H273 AromaticContact CE2-CG 3.97Å; W253-H273 HydrophobicContact CE3-CB 3.43Å; W253-H273 VanDerWaalsContact CE3-CB 3.43Å; W253-H273 AromaticContact CE3-CG 3.96Å; W253-H273 HydrophobicContact CG-CB 3.98Å; W253-H273 AromaticContact CG-CD2 3.72Å; W253-H273 AromaticContact CG-CE1 3.9Å; W253-H273 AromaticContact CG-CG 3.49Å; W253-H273 VanDerWaalsContact CG-CG 3.49Å; W253-H273 AromaticContact CG-ND1 3.64Å; W253-H273 AromaticContact CG-NE2 3.98Å; W253-H273 HydrophobicContact CH2-CB 4Å; W253-H273 HydrophobicContact CZ2-CB 4.03Å; W253-H273 HydrophobicContact CZ3-CB 3.71Å; W253-H273 AromaticContact NE1-ND1 3.78Å; C256-H273 PolarHBondContact SG-NE2 3.43Å; H269-H273 AromaticContact CD2-NE2 3.71Å; H269-H273 AromaticContact CE1-NE2 3.63Å; H269-H273 AromaticContact NE2-CD2 3.86Å; H269-H273 AromaticContact NE2-CE1 3.9Å; H269-H273 AromaticContact NE2-NE2 2.99Å; H269-H273 PolarHBondContact NE2-NE2 3.1Å; Y270-H273 WeakPolarHBondContact O-CB 3.49Å; Y270-H273 PolarHBondContact O-N 3.02Å; Y270-H273 VanDerWaalsContact O-N 3.07Å
274	T	80.1	Confident	83.1	Confident	71 Å²	71	66 Å²	66	44%	0.436	34%	0.344	S	S	.	.	H	α-helix	trans	-85.6	-8.2	-179.7	68.4	0	0	0	0	113.7	Y270 R271 K272 A276	Y270-T274 HydrophobicContact CD1-CG2 3.84Å; Y270-T274 HydrophobicContact CE1-CG2 3.53Å; Y270-T274 PolarHBondContact O-N 3.26Å; R271-T274 PolarHBondContact O-OG1 3.13Å; K272-T274 VanDerWaalsContact C-N 3.34Å; T274-A276 PolarHBondContact O-N 2.94Å; T274-A276 WeakPolarHBondContact OG1-CB 3.48Å; T274-A276 PolarHBondContact OG1-N 3.39Å
275	G	75.7	Confident	83.1	Confident	52 Å²	52	68.5 Å²	68.5	54%	0.536	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	19.1	-170.5	0	0	0	0	0	114.5	R271 K272 K277	R271-G275 CarbonylContact O-C 3.5Å; R271-G275 WeakPolarHBondContact O-CA 3.4Å; R271-G275 PolarHBondContact O-N 3.17Å; K272-G275 PolarHBondContact O-N 3.42Å; G275-K277 PolarHBondContact O-N 2.91Å
276	A	80.3	Confident	82.8	Confident	38 Å²	38	75 Å²	75	31%	0.314	38%	0.381	S	S	.	.			trans	-74.2	119.6	-171.6	0	0	0	0	0	111.6	R271 T274 P278	R271-A276 HydrophobicContact CB-CB 4.32Å; R271-A276 HydrophobicContact CG-CB 4.26Å; R271-A276 PolarHBondContact O-N 3.19Å; T274-A276 PolarHBondContact O-N 2.94Å; T274-A276 WeakPolarHBondContact OG1-CB 3.48Å; T274-A276 PolarHBondContact OG1-N 3.39Å; A276-P278 WeakPolarHBondContact O-CD 3.48Å
277	K	83.2	Confident	82.5	Confident	119 Å²	119	75.7 Å²	75.7	52%	0.517	39%	0.388	S	S	.	.			trans	-123.6	79.3	-179.3	-69.1	176.1	166.4	-167.1	0	111.2	G275 F279 C287 F288	G275-K277 PolarHBondContact O-N 2.91Å; K277-F279 VanDerWaalsContact C-N 3.26Å; K277-F279 PolarHBondContact O-N 3.46Å; K277-C287 HydrophobicContact CB-CB 3.61Å; K277-C287 HydrophobicContact CD-CB 4.27Å; K277-C287 WeakPolarHBondContact CD-O 3.37Å; K277-F288 CarbonylContact C-O 3.57Å; K277-F288 VanDerWaalsContact C-O 3.24Å; K277-F288 VanDerWaalsContact CA-O 3.3Å; K277-F288 WeakPolarHBondContact CA-O 3.37Å
278	P	85.3	Confident	82.1	Confident	79 Å²	79	73.4 Å²	73.4	51%	0.513	37%	0.372	S	S	.	.			trans	-73.6	-12.3	-172.5	28.8	-34	0	0	0	114.3	A276	A276-P278 WeakPolarHBondContact O-CD 3.48Å
279	F	86.2	Confident	81.8	Confident	62 Å²	62	71.8 Å²	71.8	27%	0.272	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	101.9	-174.9	-58.2	-76.3	0	0	0	110.7	K277 C287 F288 S289 R290 L294	K277-F279 VanDerWaalsContact C-N 3.26Å; K277-F279 PolarHBondContact O-N 3.46Å; F279-C287 CarbonylContact O-C 3.55Å; F279-C287 WeakPolarHBondContact O-CA 3.39Å; F279-F288 HydrophobicContact CB-CB 4.17Å; F279-F288 WeakPolarHBondContact CB-O 3.5Å; F279-F288 WeakPolarHBondContact CD2-O 3.25Å; F279-F288 PolarHBondContact N-O 2.87Å; F279-F288 PolarHBondContact O-N 3.26Å; F279-S289 WeakPolarHBondContact CE2-O 3.27Å; F279-R290 VanDerWaalsContact CD2-CA 3.46Å; F279-R290 VanDerWaalsContact CE2-CA 3.48Å; F279-L294 HydrophobicContact CB-CB 4.19Å; F279-L294 HydrophobicContact CB-CD2 3.89Å
280	K	86.6	Confident	81.7	Confident	111 Å²	111	72.5 Å²	72.5	48%	0.483	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.5	177.5	-170.1	177.9	178.7	179.1	0	111.1	D285	K280-D285 WeakPolarHBondContact CE-OD1 3.26Å; K280-D285 IonicContact NZ-OD1 3.18Å; K280-D285 PolarHBondContact NZ-OD1 3.01Å
281	C	86.5	Confident	81.8	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.014	38%	0.377	C	S	.	.			trans	-74.5	139.6	167.7	179.6	0	0	0	0	111.2	H283 C284 R286 F288 L294 H297 M298 H301	C281-H283 PolarHBondContact SG-N 2.95Å; C281-C284 CarbonylContact C-O 3.53Å; C281-C284 WeakPolarHBondContact CB-O 3.22Å; C281-C284 VanDerWaalsContact SG-SG 3.64Å; C281-R286 WeakPolarHBondContact CB-O 3.34Å; C281-R286 PolarHBondContact N-O 2.93Å; C281-F288 HydrophobicContact CB-CE2 4.29Å; C281-L294 HydrophobicContact CB-CD1 3.9Å; C281-H297 PolarHBondContact SG-NE2 3.46Å; C281-H297 VanDerWaalsContact SG-NE2 3.35Å; C281-M298 HydrophobicContact CB-SD 4.46Å; C281-M298 PolarHBondContact SG-SD 3.01Å; C281-H301 PolarHBondContact SG-NE2 3.24Å
282	N	89.6	Confident	81.8	Confident	149 Å²	149	70.9 Å²	70.9	80%	0.797	38%	0.379	S	S	*	.	S	Bend	trans	-83.9	-14.2	178.7	-66.7	-14.4	0	0	0	113.5
283	H	85.9	Confident	82.1	Confident	128 Å²	128	68.5 Å²	68.5	59%	0.593	37%	0.368	S	S	*	.	S	Bend	trans	-103.5	-18.4	179.9	-63.9	-63	0	0	0	113.5	C281 M298 H301	C281-H283 PolarHBondContact SG-N 2.95Å; H283-M298 WeakPolarHBondContact CD2-CE 3.41Å; H283-H301 HydrophobicContact CB-CB 4.3Å; H283-H301 AromaticContact CD2-CG 3.96Å
284	C	86.6	Confident	82.4	Confident	35 Å²	35	67.8 Å²	67.8	24%	0.236	37%	0.366	C	S	.	.	S	Bend	trans	-147.9	165	175.7	71.6	0	0	0	0	111.2	C281 R286 H297	C281-C284 CarbonylContact C-O 3.53Å; C281-C284 WeakPolarHBondContact CB-O 3.22Å; C281-C284 VanDerWaalsContact SG-SG 3.64Å; C284-R286 PolarHBondContact O-N 3.02Å; C284-H297 PolarHBondContact SG-NE2 3.27Å
285	D	83.6	Confident	82.7	Confident	134 Å²	134	67 Å²	67	72%	0.717	37%	0.367	S	S	*	.	S	Bend	trans	-77.8	20.1	-177.4	-68.2	-54.8	0	0	0	114.8	K280	K280-D285 WeakPolarHBondContact CE-OD1 3.26Å; K280-D285 IonicContact NZ-OD1 3.18Å; K280-D285 PolarHBondContact NZ-OD1 3.01Å
286	R	77.3	Confident	83	Confident	146 Å²	146	68.8 Å²	68.8	55%	0.551	36%	0.364	S	S	*	.			trans	-79.2	130.7	175.9	-70.3	-172.1	174.6	150.8	0.7	111.1	C281 C284 F288	C281-R286 WeakPolarHBondContact CB-O 3.34Å; C281-R286 PolarHBondContact N-O 2.93Å; C284-R286 PolarHBondContact O-N 3.02Å; R286-F288 HydrophobicContact CB-CE2 3.85Å; R286-F288 HydrophobicContact CB-CZ 3.93Å
287	C	79.9	Confident	83.1	Confident	49 Å²	49	67.7 Å²	67.7	33%	0.331	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.3	172	-57.9	0	0	0	0	110.7	K277 F279	K277-C287 HydrophobicContact CB-CB 3.61Å; K277-C287 HydrophobicContact CD-CB 4.27Å; K277-C287 WeakPolarHBondContact CD-O 3.37Å; F279-C287 CarbonylContact O-C 3.55Å; F279-C287 WeakPolarHBondContact O-CA 3.39Å
288	F	77.9	Confident	83.1	Confident	30 Å²	30	64.4 Å²	64.4	13%	0.132	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.7	-176.3	-58.7	-89.3	0	0	0	110	K277 F279 C281 R286 R290 H293 L294 H297	K277-F288 CarbonylContact C-O 3.57Å; K277-F288 VanDerWaalsContact C-O 3.24Å; K277-F288 VanDerWaalsContact CA-O 3.3Å; K277-F288 WeakPolarHBondContact CA-O 3.37Å; F279-F288 HydrophobicContact CB-CB 4.17Å; F279-F288 WeakPolarHBondContact CB-O 3.5Å; F279-F288 WeakPolarHBondContact CD2-O 3.25Å; F279-F288 PolarHBondContact N-O 2.87Å; F279-F288 PolarHBondContact O-N 3.26Å; C281-F288 HydrophobicContact CB-CE2 4.29Å; R286-F288 HydrophobicContact CB-CE2 3.85Å; R286-F288 HydrophobicContact CB-CZ 3.93Å; F288-R290 VanDerWaalsContact C-N 3.31Å; F288-H293 HydrophobicContact CB-CB 4.47Å; F288-H293 HydrophobicContact CD1-CB 3.85Å; F288-H293 HydrophobicContact CG-CB 4.44Å; F288-L294 HydrophobicContact CB-CB 4.31Å; F288-L294 HydrophobicContact CD2-CB 3.91Å; F288-L294 HydrophobicContact CD2-CD1 3.79Å; F288-L294 HydrophobicContact CD2-CG 4.43Å; F288-L294 HydrophobicContact CE2-CD1 3.91Å; F288-L294 HydrophobicContact CG-CB 4.19Å; F288-H297 HydrophobicContact CE1-CB 3.92Å; F288-H297 HydrophobicContact CE2-CB 4.01Å; F288-H297 AromaticContact CE2-CD2 3.45Å; F288-H297 VanDerWaalsContact CE2-CD2 3.45Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.45Å; F288-H297 AromaticContact CE2-CG 3.75Å; F288-H297 HydrophobicContact CZ-CB 3.44Å; F288-H297 VanDerWaalsContact CZ-CB 3.44Å; F288-H297 AromaticContact CZ-CD2 3.43Å; F288-H297 VanDerWaalsContact CZ-CD2 3.43Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.41Å; F288-H297 AromaticContact CZ-CG 3.24Å; F288-H297 AromaticContact CZ-ND1 3.84Å
289	S	76	Confident	83.2	Confident	9 Å²	9	67.3 Å²	67.3	6%	0.063	34%	0.344	C	S	.	.	S	Bend	trans	-80.6	-15	174.5	71.6	0	0	0	0	112.6	E56 R271 F279	E56-S289 PolarHBondContact OE1-N 3.18Å; E56-S289 PolarHBondContact OE1-OG 2.88Å; E56-S289 WeakPolarHBondContact OE2-CB 3.16Å; E56-S289 PolarHBondContact OE2-N 3Å; E56-S289 VanDerWaalsContact OE2-N 3.09Å; E56-S289 PolarHBondContact OE2-OG 3.38Å; R271-S289 PolarHBondContact NH1-O 3.49Å; F279-S289 WeakPolarHBondContact CE2-O 3.27Å
290	R	79.2	Confident	82.8	Confident	26 Å²	26	73 Å²	73	10%	0.098	36%	0.363	C	S	.	.	S	Bend	trans	-133.4	150.6	178.3	-54.6	159.6	54.8	157.5	-11.5	113.9	E56 D59 R268 F279 F288 D292 H293 L294	E56-R290 PolarHBondContact OE1-N 2.86Å; D59-R290 IonicContact OD1-NH1 2.74Å; D59-R290 IonicContact OD2-CZ 3.14Å; D59-R290 IonicContact OD2-NH1 3.76Å; D59-R290 PolarHBondContact OD2-NH1 3.45Å; D59-R290 IonicContact OD2-NH2 3.7Å; D59-R290 PolarHBondContact OD2-NH2 3.34Å; R268-R290 HydrophobicContact CG-CG 4.08Å; R268-R290 VanDerWaalsContact CZ-NH1 3.32Å; R268-R290 VanDerWaalsContact NH1-CZ 3.3Å; F279-R290 VanDerWaalsContact CD2-CA 3.46Å; F279-R290 VanDerWaalsContact CE2-CA 3.48Å; F288-R290 VanDerWaalsContact C-N 3.31Å; R290-D292 WeakPolarHBondContact CB-OD1 3.47Å; R290-D292 IonicContact CZ-OD1 2.73Å; R290-D292 IonicContact CZ-OD2 3.73Å; R290-D292 IonicContact NE-OD1 3.19Å; R290-D292 PolarHBondContact NE-OD1 3.39Å; R290-D292 IonicContact NE-OD2 3.38Å; R290-D292 PolarHBondContact NE-OD2 2.65Å; R290-D292 IonicContact NH2-OD1 3.73Å; R290-D292 IonicContact NH2-OD2 3.77Å; R290-D292 PolarHBondContact NH2-OD2 3.25Å; R290-H293 VanDerWaalsContact CD-CD2 3.41Å; R290-H293 WeakPolarHBondContact CD-CD2 3.35Å; R290-H293 WeakPolarHBondContact CD-NE2 3.42Å; R290-L294 PolarHBondContact O-N 2.85Å
291	S	86.2	Confident	82.5	Confident	73 Å²	73	71.4 Å²	71.4	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-70.8	-31.8	-179.1	56.6	0	0	0	0	113.5	L294 A295	S291-L294 PolarHBondContact O-N 3.2Å; S291-A295 WeakPolarHBondContact O-CB 3.49Å; S291-A295 PolarHBondContact O-N 3.27Å
292	D	81.6	Confident	81.9	Confident	63 Å²	63	80.6 Å²	80.6	34%	0.337	40%	0.404	S	S	.	.	H	α-helix	trans	-72.2	-36.6	-179.8	59.2	-45.6	0	0	0	112.3	R290 A295 L296	R290-D292 WeakPolarHBondContact CB-OD1 3.47Å; R290-D292 IonicContact CZ-OD1 2.73Å; R290-D292 IonicContact CZ-OD2 3.73Å; R290-D292 IonicContact NE-OD1 3.19Å; R290-D292 PolarHBondContact NE-OD1 3.39Å; R290-D292 IonicContact NE-OD2 3.38Å; R290-D292 PolarHBondContact NE-OD2 2.65Å; R290-D292 IonicContact NH2-OD1 3.73Å; R290-D292 IonicContact NH2-OD2 3.77Å; R290-D292 PolarHBondContact NH2-OD2 3.25Å; D292-A295 PolarHBondContact O-N 3.47Å; D292-L296 WeakPolarHBondContact O-CG 3.48Å; D292-L296 PolarHBondContact O-N 3.31Å
293	H	79	Confident	81.5	Confident	16 Å²	16	77.2 Å²	77.2	7%	0.074	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-41.3	170.7	-64.4	-53.3	0	0	0	111.9	E56 F288 R290 A295 L296 H297	E56-H293 VanDerWaalsContact CG-CD2 3.49Å; E56-H293 WeakPolarHBondContact CG-CD2 3.36Å; E56-H293 IonicContact OE1-CD2 3.31Å; E56-H293 PolarHBondContact OE1-CD2 3.34Å; E56-H293 IonicContact OE1-CG 2.97Å; F288-H293 HydrophobicContact CB-CB 4.47Å; F288-H293 HydrophobicContact CD1-CB 3.85Å; F288-H293 HydrophobicContact CG-CB 4.44Å; R290-H293 VanDerWaalsContact CD-CD2 3.41Å; R290-H293 WeakPolarHBondContact CD-CD2 3.35Å; R290-H293 WeakPolarHBondContact CD-NE2 3.42Å; H293-A295 VanDerWaalsContact C-N 3.32Å; H293-A295 PolarHBondContact O-N 3.16Å; H293-L296 PolarHBondContact O-N 3.17Å; H293-H297 VanDerWaalsContact O-CB 3.25Å; H293-H297 WeakPolarHBondContact O-CB 3.19Å; H293-H297 PolarHBondContact O-N 3.14Å
294	L	84.1	Confident	81.2	Confident	31 Å²	31	74.5 Å²	74.5	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-58.5	-46.4	171	173.8	61.5	0	0	0	110.5	F279 C281 F288 R290 S291 L296 H297 M298	F279-L294 HydrophobicContact CB-CB 4.19Å; F279-L294 HydrophobicContact CB-CD2 3.89Å; C281-L294 HydrophobicContact CB-CD1 3.9Å; F288-L294 HydrophobicContact CB-CB 4.31Å; F288-L294 HydrophobicContact CD2-CB 3.91Å; F288-L294 HydrophobicContact CD2-CD1 3.79Å; F288-L294 HydrophobicContact CD2-CG 4.43Å; F288-L294 HydrophobicContact CE2-CD1 3.91Å; F288-L294 HydrophobicContact CG-CB 4.19Å; R290-L294 PolarHBondContact O-N 2.85Å; S291-L294 PolarHBondContact O-N 3.2Å; L294-L296 PolarHBondContact O-N 3.41Å; L294-H297 WeakPolarHBondContact O-CB 3.45Å; L294-H297 PolarHBondContact O-N 3.39Å; L294-M298 HydrophobicContact CD1-CG 3.88Å; L294-M298 HydrophobicContact CD1-SD 4.14Å; L294-M298 HydrophobicContact CG-CG 4.22Å; L294-M298 WeakPolarHBondContact O-CG 3.45Å; L294-M298 PolarHBondContact O-N 3.32Å
295	A	86.2	Confident	80.9	Confident	55 Å²	55	76.7 Å²	76.7	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-41	179.9	0	0	0	0	0	112.8	S291 D292 H293 K299	S291-A295 WeakPolarHBondContact O-CB 3.49Å; S291-A295 PolarHBondContact O-N 3.27Å; D292-A295 PolarHBondContact O-N 3.47Å; H293-A295 VanDerWaalsContact C-N 3.32Å; H293-A295 PolarHBondContact O-N 3.16Å; A295-K299 PolarHBondContact O-N 3.3Å
296	L	82.2	Confident	80.8	Confident	90 Å²	90	73.3 Å²	73.3	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-67	-41.2	173.7	-73	172.5	0	0	0	111.9	D292 H293 L294 M298 K299	D292-L296 WeakPolarHBondContact O-CG 3.48Å; D292-L296 PolarHBondContact O-N 3.31Å; H293-L296 PolarHBondContact O-N 3.17Å; L294-L296 PolarHBondContact O-N 3.41Å; L296-M298 VanDerWaalsContact C-N 3.34Å; L296-M298 PolarHBondContact O-N 3.26Å; L296-K299 HydrophobicContact CD2-CD 4.5Å; L296-K299 WeakPolarHBondContact O-CB 3.41Å; L296-K299 PolarHBondContact O-N 3.46Å
297	H	82.1	Confident	81	Confident	15 Å²	15	68.8 Å²	68.8	7%	0.069	35%	0.35	C	S	.	.	H	α-helix	trans	-62	-41.7	175.9	170.8	64.4	0	0	0	112.2	C281 C284 F288 H293 L294 K299 R300 H301	C281-H297 PolarHBondContact SG-NE2 3.46Å; C281-H297 VanDerWaalsContact SG-NE2 3.35Å; C284-H297 PolarHBondContact SG-NE2 3.27Å; F288-H297 HydrophobicContact CE1-CB 3.92Å; F288-H297 HydrophobicContact CE2-CB 4.01Å; F288-H297 AromaticContact CE2-CD2 3.45Å; F288-H297 VanDerWaalsContact CE2-CD2 3.45Å; F288-H297 WeakPolarHBondContact CE2-CD2 3.45Å; F288-H297 AromaticContact CE2-CG 3.75Å; F288-H297 HydrophobicContact CZ-CB 3.44Å; F288-H297 VanDerWaalsContact CZ-CB 3.44Å; F288-H297 AromaticContact CZ-CD2 3.43Å; F288-H297 VanDerWaalsContact CZ-CD2 3.43Å; F288-H297 WeakPolarHBondContact CZ-CD2 3.41Å; F288-H297 AromaticContact CZ-CG 3.24Å; F288-H297 AromaticContact CZ-ND1 3.84Å; H293-H297 VanDerWaalsContact O-CB 3.25Å; H293-H297 WeakPolarHBondContact O-CB 3.19Å; H293-H297 PolarHBondContact O-N 3.14Å; L294-H297 WeakPolarHBondContact O-CB 3.45Å; L294-H297 PolarHBondContact O-N 3.39Å; H297-K299 PolarHBondContact O-N 2.94Å; H297-R300 VanDerWaalsContact O-CB 3.3Å; H297-R300 WeakPolarHBondContact O-CB 3.34Å; H297-R300 PolarHBondContact O-N 3.22Å; H297-H301 AromaticContact CD2-NE2 3.86Å; H297-H301 AromaticContact CE1-NE2 3.35Å; H297-H301 PolarHBondContact CE1-NE2 3.17Å; H297-H301 VanDerWaalsContact CE1-NE2 3.35Å; H297-H301 AromaticContact NE2-CD2 3.63Å; H297-H301 AromaticContact NE2-NE2 2.95Å; H297-H301 PolarHBondContact NE2-NE2 3.31Å
298	M	83.5	Confident	81.1	Confident	49 Å²	49	70.1 Å²	70.1	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-29.5	178.2	-70.9	-63.1	-67.4	0	0	112.4	C281 H283 L294 L296 R300 H301	C281-M298 HydrophobicContact CB-SD 4.46Å; C281-M298 PolarHBondContact SG-SD 3.01Å; H283-M298 WeakPolarHBondContact CD2-CE 3.41Å; L294-M298 HydrophobicContact CD1-CG 3.88Å; L294-M298 HydrophobicContact CD1-SD 4.14Å; L294-M298 HydrophobicContact CG-CG 4.22Å; L294-M298 WeakPolarHBondContact O-CG 3.45Å; L294-M298 PolarHBondContact O-N 3.32Å; L296-M298 VanDerWaalsContact C-N 3.34Å; L296-M298 PolarHBondContact O-N 3.26Å; M298-R300 PolarHBondContact O-N 3.38Å; M298-H301 PolarHBondContact O-N 3.22Å; M298-H301 VanDerWaalsContact O-N 3.1Å
299	K	86.2	Confident	81.3	Confident	140 Å²	140	72.9 Å²	72.9	61%	0.609	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.2	173.5	-63.6	178.6	-178.7	-176.5	0	113.9	A295 L296 H297	A295-K299 PolarHBondContact O-N 3.3Å; L296-K299 HydrophobicContact CD2-CD 4.5Å; L296-K299 WeakPolarHBondContact O-CB 3.41Å; L296-K299 PolarHBondContact O-N 3.46Å; H297-K299 PolarHBondContact O-N 2.94Å
300	R	78.8	Confident	81.7	Confident	181 Å²	181	77.8 Å²	77.8	68%	0.683	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.2	175.6	-60.3	176.4	59.1	159.7	0.4	113	H297 M298	H297-R300 VanDerWaalsContact O-CB 3.3Å; H297-R300 WeakPolarHBondContact O-CB 3.34Å; H297-R300 PolarHBondContact O-N 3.22Å; M298-R300 PolarHBondContact O-N 3.38Å
301	H	79.7	Confident	81.9	Confident	78 Å²	78	82.2 Å²	82.2	36%	0.361	41%	0.414	S	S	.	.			trans	-95.1	-9.9	173.9	-68.7	-65.1	0	0	0	112.9	C281 H283 H297 M298	C281-H301 PolarHBondContact SG-NE2 3.24Å; H283-H301 HydrophobicContact CB-CB 4.3Å; H283-H301 AromaticContact CD2-CG 3.96Å; H297-H301 AromaticContact CD2-NE2 3.86Å; H297-H301 AromaticContact CE1-NE2 3.35Å; H297-H301 PolarHBondContact CE1-NE2 3.17Å; H297-H301 VanDerWaalsContact CE1-NE2 3.35Å; H297-H301 AromaticContact NE2-CD2 3.63Å; H297-H301 AromaticContact NE2-NE2 2.95Å; H297-H301 PolarHBondContact NE2-NE2 3.31Å; M298-H301 PolarHBondContact O-N 3.22Å; M298-H301 VanDerWaalsContact O-N 3.1Å
302	I	73.4	Confident	81.5	Confident	195 Å²	195	83 Å²	83	100%	1	41%	0.406	S	S	*	.			trans	-92.2	0	172.9	-55.2	172.8	0	0	0	107.6

Retrieved 302 of 302 residues in 152.6 ms (Link to these results)

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