A0A3Q0KR33_SCHMA Loading...

Proteasome assembly chaperone 1

AlphaFold DB , UniProt , Accession A0A3Q0KR33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 294 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	48.1	Very low	50.9	Low	162 Å²	162	70.8 Å²	70.8	80%	0.798	34%	0.338	S	S	*	.				0	-57	0	-90.7	-139.2	-75.7	0	0	113.7	Y3 F4 L5	M1-Y3 VanDerWaalsContact C-N 3.26Å; M1-Y3 PolarHBondContact O-N 3.36Å; M1-F4 WeakPolarHBondContact O-CB 3.32Å; M1-F4 PolarHBondContact O-N 3.25Å; M1-L5 PolarHBondContact O-N 2.7Å
2	E	50.4	Low	50	Low	128 Å²	128	72.7 Å²	72.7	60%	0.598	36%	0.364	S	S	*	.	H	α-helix	trans	-58.4	-36	-176.3	-159.3	-176.2	164.8	0	0	113.6	F4 L5 K6	E2-F4 PolarHBondContact O-N 2.97Å; E2-L5 PolarHBondContact O-N 2.83Å; E2-K6 HydrophobicContact CG-CD 4.46Å; E2-K6 WeakPolarHBondContact O-CG 3.36Å; E2-K6 PolarHBondContact O-N 2.67Å; E2-K6 VanDerWaalsContact O-N 3.11Å; E2-K6 VanDerWaalsContact OE1-CE 3.28Å; E2-K6 WeakPolarHBondContact OE1-CE 3.41Å; E2-K6 IonicContact OE1-NZ 3.33Å; E2-K6 PolarHBondContact OE1-NZ 3.18Å
3	Y	53.8	Low	49.4	Very low	87 Å²	87	80 Å²	80	34%	0.341	38%	0.384	S	S	.	.	H	α-helix	trans	-57.4	-44.7	172	179.6	-94.3	0	0	0	113.2	M1 R7 P184	M1-Y3 VanDerWaalsContact C-N 3.26Å; M1-Y3 PolarHBondContact O-N 3.36Å; Y3-R7 VanDerWaalsContact CE2-NE 3.33Å; Y3-R7 VanDerWaalsContact CZ-NH1 3.26Å; Y3-R7 WeakPolarHBondContact O-CB 3.4Å; Y3-R7 WeakPolarHBondContact O-CG 3.11Å; Y3-R7 PolarHBondContact O-N 3.49Å; Y3-R7 PolarHBondContact OH-NH1 3.02Å; Y3-P184 PolarHBondContact OH-O 2.9Å
4	F	54.6	Low	49.1	Very low	5 Å²	5	79.5 Å²	79.5	2%	0.022	40%	0.4	C	S	.	.	H	α-helix	trans	-70.1	-45.2	179.4	-101.7	-96.2	0	0	0	111.6	M1 E2 K6 R7 I8 F11 T185 L210 N211 Y214	M1-F4 WeakPolarHBondContact O-CB 3.32Å; M1-F4 PolarHBondContact O-N 3.25Å; E2-F4 PolarHBondContact O-N 2.97Å; F4-K6 VanDerWaalsContact C-N 3.25Å; F4-K6 PolarHBondContact O-N 2.89Å; F4-R7 PolarHBondContact O-N 2.95Å; F4-I8 HydrophobicContact CD1-CD1 3.53Å; F4-I8 HydrophobicContact CD1-CG1 4.4Å; F4-I8 HydrophobicContact CE1-CD1 3.42Å; F4-I8 VanDerWaalsContact CE1-CD1 3.42Å; F4-I8 HydrophobicContact CZ-CD1 4.4Å; F4-I8 PolarHBondContact O-N 2.92Å; F4-F11 HydrophobicContact CB-CE2 4.32Å; F4-F11 HydrophobicContact CD1-CD2 4.43Å; F4-F11 AromaticContact CD1-CE2 3.73Å; F4-F11 HydrophobicContact CD1-CE2 3.73Å; F4-F11 HydrophobicContact CD1-CZ 4.43Å; F4-F11 HydrophobicContact CG-CE2 4.43Å; F4-T185 HydrophobicContact CZ-CG2 4.47Å; F4-L210 HydrophobicContact CE1-CG 4.48Å; F4-L210 HydrophobicContact CZ-CG 4.35Å; F4-N211 WeakPolarHBondContact CE1-OD1 3.38Å; F4-Y214 HydrophobicContact CD1-CD1 4.35Å; F4-Y214 HydrophobicContact CD2-CD1 4.01Å; F4-Y214 HydrophobicContact CD2-CD2 4.27Å; F4-Y214 AromaticContact CD2-CE1 3.64Å; F4-Y214 HydrophobicContact CD2-CE1 3.64Å; F4-Y214 AromaticContact CD2-CE2 3.94Å; F4-Y214 HydrophobicContact CD2-CE2 3.94Å; F4-Y214 HydrophobicContact CD2-CG 4.29Å; F4-Y214 AromaticContact CD2-CZ 3.59Å; F4-Y214 AromaticContact CE1-CD1 3.85Å; F4-Y214 HydrophobicContact CE1-CD1 3.85Å; F4-Y214 HydrophobicContact CE1-CE1 4.42Å; F4-Y214 AromaticContact CE1-CG 3.96Å; F4-Y214 HydrophobicContact CE1-CG 3.96Å; F4-Y214 AromaticContact CE2-CD1 3.49Å; F4-Y214 HydrophobicContact CE2-CD1 3.49Å; F4-Y214 VanDerWaalsContact CE2-CD1 3.49Å; F4-Y214 AromaticContact CE2-CD2 3.25Å; F4-Y214 HydrophobicContact CE2-CD2 3.25Å; F4-Y214 AromaticContact CE2-CE1 3.51Å; F4-Y214 HydrophobicContact CE2-CE1 3.51Å; F4-Y214 AromaticContact CE2-CE2 3.28Å; F4-Y214 HydrophobicContact CE2-CE2 3.28Å; F4-Y214 AromaticContact CE2-CG 3.34Å; F4-Y214 HydrophobicContact CE2-CG 3.34Å; F4-Y214 AromaticContact CE2-CZ 3.4Å; F4-Y214 HydrophobicContact CG-CD1 4.44Å; F4-Y214 HydrophobicContact CG-CE1 4.2Å; F4-Y214 VanDerWaalsContact CZ-CB 3.48Å; F4-Y214 AromaticContact CZ-CD1 3.41Å; F4-Y214 HydrophobicContact CZ-CD1 3.41Å; F4-Y214 VanDerWaalsContact CZ-CD1 3.41Å; F4-Y214 AromaticContact CZ-CD2 3.48Å; F4-Y214 HydrophobicContact CZ-CD2 3.48Å; F4-Y214 VanDerWaalsContact CZ-CD2 3.48Å; F4-Y214 AromaticContact CZ-CE1 3.94Å; F4-Y214 HydrophobicContact CZ-CE1 3.94Å; F4-Y214 HydrophobicContact CZ-CE2 4.01Å; F4-Y214 AromaticContact CZ-CG 3.13Å; F4-Y214 HydrophobicContact CZ-CG 3.13Å
5	L	53.4	Low	48.6	Very low	85 Å²	85	83.5 Å²	83.5	45%	0.445	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-33.5	179.5	-70.7	165.7	0	0	0	112.6	M1 E2 F11	M1-L5 PolarHBondContact O-N 2.7Å; E2-L5 PolarHBondContact O-N 2.83Å; L5-F11 HydrophobicContact CD2-CB 3.56Å; L5-F11 HydrophobicContact CD2-CD1 4.12Å; L5-F11 HydrophobicContact CD2-CG 4.08Å
6	K	56.4	Low	47.8	Very low	145 Å²	145	81.7 Å²	81.7	63%	0.63	43%	0.431	S	S	*	.	H	α-helix	trans	-80.6	-26.4	177.6	-72.2	179.6	-176.5	170	0	114.1	E2 F4	E2-K6 HydrophobicContact CG-CD 4.46Å; E2-K6 WeakPolarHBondContact O-CG 3.36Å; E2-K6 PolarHBondContact O-N 2.67Å; E2-K6 VanDerWaalsContact O-N 3.11Å; E2-K6 VanDerWaalsContact OE1-CE 3.28Å; E2-K6 WeakPolarHBondContact OE1-CE 3.41Å; E2-K6 IonicContact OE1-NZ 3.33Å; E2-K6 PolarHBondContact OE1-NZ 3.18Å; F4-K6 VanDerWaalsContact C-N 3.25Å; F4-K6 PolarHBondContact O-N 2.89Å
7	R	53.1	Low	47.3	Very low	60 Å²	60	83 Å²	83	23%	0.226	44%	0.438	C	S	.	.	H	α-helix	trans	-105.3	-19.7	-171.8	-66.8	-175.9	178.5	-157.4	-1.8	114.1	Y3 F4 L202	Y3-R7 VanDerWaalsContact CE2-NE 3.33Å; Y3-R7 VanDerWaalsContact CZ-NH1 3.26Å; Y3-R7 WeakPolarHBondContact O-CB 3.4Å; Y3-R7 WeakPolarHBondContact O-CG 3.11Å; Y3-R7 PolarHBondContact O-N 3.49Å; Y3-R7 PolarHBondContact OH-NH1 3.02Å; F4-R7 PolarHBondContact O-N 2.95Å; R7-L202 PolarHBondContact O-N 2.98Å
8	I	55.1	Low	47.1	Very low	4 Å²	4	85.8 Å²	85.8	2%	0.021	45%	0.452	C	S	.	.			trans	-128.8	90.2	-180	-51.2	-179.8	0	0	0	107.8	F4 A10 F11 A207 L210 N211	F4-I8 HydrophobicContact CD1-CD1 3.53Å; F4-I8 HydrophobicContact CD1-CG1 4.4Å; F4-I8 HydrophobicContact CE1-CD1 3.42Å; F4-I8 VanDerWaalsContact CE1-CD1 3.42Å; F4-I8 HydrophobicContact CZ-CD1 4.4Å; F4-I8 PolarHBondContact O-N 2.92Å; I8-A10 HydrophobicContact CG2-CB 3.71Å; I8-A10 PolarHBondContact O-N 3.48Å; I8-F11 PolarHBondContact O-N 3.09Å; I8-A207 HydrophobicContact CG2-CB 4.38Å; I8-L210 HydrophobicContact CD1-CD2 3.65Å; I8-L210 HydrophobicContact CD1-CG 4.29Å; I8-N211 WeakPolarHBondContact CD1-OD1 3.31Å
9	P	48.4	Very low	46.4	Very low	39 Å²	39	88.9 Å²	88.9	25%	0.253	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15	177.7	-21	32.1	0	0	0	113.2	F11 S12 R13 I201	P9-F11 PolarHBondContact O-N 2.75Å; P9-F11 VanDerWaalsContact O-N 3.13Å; P9-S12 PolarHBondContact O-N 2.75Å; P9-R13 PolarHBondContact O-N 3.49Å; P9-R13 VanDerWaalsContact O-N 3.1Å; P9-I201 HydrophobicContact CG-CB 4.04Å; P9-I201 HydrophobicContact CG-CD1 3.71Å; P9-I201 HydrophobicContact CG-CG1 3.52Å; P9-I201 HydrophobicContact CG-CG2 3.51Å
10	A	46	Very low	46.1	Very low	25 Å²	25	89.5 Å²	89.5	21%	0.207	48%	0.48	C	S	.	.	H	α-helix	trans	-56.5	-23.2	172.8	0	0	0	0	0	112.4	I8 A14	I8-A10 HydrophobicContact CG2-CB 3.71Å; I8-A10 PolarHBondContact O-N 3.48Å; A10-A14 WeakPolarHBondContact O-CA 3.36Å; A10-A14 WeakPolarHBondContact O-CB 3.38Å; A10-A14 PolarHBondContact O-N 3.14Å
11	F	41	Very low	45.6	Very low	39 Å²	39	93 Å²	93	17%	0.171	50%	0.499	C	S	.	.	H	α-helix	trans	-70.5	-36	171.5	-95.6	-96.4	0	0	0	113.8	F4 L5 I8 P9 F215	F4-F11 HydrophobicContact CB-CE2 4.32Å; F4-F11 HydrophobicContact CD1-CD2 4.43Å; F4-F11 AromaticContact CD1-CE2 3.73Å; F4-F11 HydrophobicContact CD1-CE2 3.73Å; F4-F11 HydrophobicContact CD1-CZ 4.43Å; F4-F11 HydrophobicContact CG-CE2 4.43Å; L5-F11 HydrophobicContact CD2-CB 3.56Å; L5-F11 HydrophobicContact CD2-CD1 4.12Å; L5-F11 HydrophobicContact CD2-CG 4.08Å; I8-F11 PolarHBondContact O-N 3.09Å; P9-F11 PolarHBondContact O-N 2.75Å; P9-F11 VanDerWaalsContact O-N 3.13Å; F11-F215 AromaticContact CE1-CZ 3.85Å; F11-F215 HydrophobicContact CE1-CZ 3.85Å; F11-F215 HydrophobicContact CE2-CE2 4.26Å; F11-F215 HydrophobicContact CE2-CZ 4.31Å; F11-F215 HydrophobicContact CZ-CE1 4.33Å; F11-F215 AromaticContact CZ-CE2 3.66Å; F11-F215 HydrophobicContact CZ-CE2 3.66Å; F11-F215 AromaticContact CZ-CZ 3.3Å; F11-F215 HydrophobicContact CZ-CZ 3.3Å
12	S	40	Very low	45.5	Very low	93 Å²	93	90.9 Å²	90.9	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-76.3	-27.9	177.5	175.4	0	0	0	0	112	P9	P9-S12 PolarHBondContact O-N 2.75Å
13	R	41.7	Very low	44.9	Very low	168 Å²	168	92 Å²	92	63%	0.634	51%	0.51	S	S	*	.	H	α-helix	trans	-89	-36.3	176.5	-89.7	-175.5	178	152.5	-1.2	113.3	P9 L15 G16 D17	P9-R13 PolarHBondContact O-N 3.49Å; P9-R13 VanDerWaalsContact O-N 3.1Å; R13-L15 PolarHBondContact O-N 3.21Å; R13-G16 CarbonylContact O-C 3.54Å; R13-G16 PolarHBondContact O-N 2.82Å; R13-D17 VanDerWaalsContact CB-OD2 3.31Å; R13-D17 WeakPolarHBondContact CB-OD2 3.19Å; R13-D17 WeakPolarHBondContact CG-OD2 3.11Å; R13-D17 VanDerWaalsContact O-CB 3.29Å; R13-D17 WeakPolarHBondContact O-CB 3.16Å; R13-D17 PolarHBondContact O-N 3.36Å
14	A	45.4	Very low	44.5	Very low	73 Å²	73	95.8 Å²	95.8	60%	0.603	54%	0.536	S	S	*	.	H	α-helix	trans	-69.9	-16.9	176.5	0	0	0	0	0	113.9	A10	A10-A14 WeakPolarHBondContact O-CA 3.36Å; A10-A14 WeakPolarHBondContact O-CB 3.38Å; A10-A14 PolarHBondContact O-N 3.14Å
15	L	41.1	Very low	43.9	Very low	140 Å²	140	102 Å²	102	73%	0.733	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-7.4	169.5	-72.3	168.2	0	0	0	113.2	R13	R13-L15 PolarHBondContact O-N 3.21Å
16	G	36.8	Very low	43.5	Very low	54 Å²	54	105 Å²	105	56%	0.557	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-14.3	-172.7	0	0	0	0	0	116.2	R13 I18	R13-G16 CarbonylContact O-C 3.54Å; R13-G16 PolarHBondContact O-N 2.82Å; G16-I18 VanDerWaalsContact C-N 3.34Å
17	D	38.4	Very low	42.7	Very low	104 Å²	104	100.3 Å²	100.3	56%	0.556	57%	0.572	S	S	*	*			trans	-98.5	28.2	176.5	-66	-20.6	0	0	0	110.9	R13 D19	R13-D17 VanDerWaalsContact CB-OD2 3.31Å; R13-D17 WeakPolarHBondContact CB-OD2 3.19Å; R13-D17 WeakPolarHBondContact CG-OD2 3.11Å; R13-D17 VanDerWaalsContact O-CB 3.29Å; R13-D17 WeakPolarHBondContact O-CB 3.16Å; R13-D17 PolarHBondContact O-N 3.36Å; D17-D19 PolarHBondContact O-N 3.12Å
18	I	45	Very low	42.1	Very low	134 Å²	134	103.2 Å²	103.2	69%	0.687	59%	0.591	S	S	*	*			trans	-72.6	-10.6	174	-76.9	172.7	0	0	0	112	G16	G16-I18 VanDerWaalsContact C-N 3.34Å
19	D	32.8	Very low	41.3	Very low	145 Å²	145	106.8 Å²	106.8	78%	0.775	61%	0.612	S	S	*	*			trans	-120	93.2	178.7	-65.1	-34.6	0	0	0	110.8	D17	D17-D19 PolarHBondContact O-N 3.12Å
20	S	40.1	Very low	41.2	Very low	100 Å²	100	107.6 Å²	107.6	70%	0.699	62%	0.615	S	S	*	*			trans	178.3	95	144.9	34.4	0	0	0	0	113
21	D	37.1	Very low	41.7	Very low	163 Å²	163	116 Å²	116	87%	0.872	65%	0.65	S	S	*	*			trans	16.6	105.9	138.6	-55.6	-20.5	0	0	0	117.9
22	S	45.1	Very low	42.2	Very low	117 Å²	117	120.4 Å²	120.4	82%	0.818	68%	0.675	S	S	*	*			trans	-152	106.7	135.5	38.9	0	0	0	0	109.3	D24	S22-D24 PolarHBondContact O-N 2.91Å
23	D	38.5	Very low	42.5	Very low	152 Å²	152	118.9 Å²	118.9	81%	0.813	67%	0.674	S	S	*	*			trans	-59.5	115.9	170.4	-61.7	-53	0	0	0	110.1
24	D	44.2	Very low	42.5	Very low	166 Å²	166	119.7 Å²	119.7	89%	0.888	68%	0.677	S	S	*	*			trans	-150.2	68.1	156	-90.9	-28.6	0	0	0	106.7	S22 D26	S22-D24 PolarHBondContact O-N 2.91Å; D24-D26 PolarHBondContact O-N 2.64Å
25	D	42.3	Very low	42.2	Very low	137 Å²	137	121.3 Å²	121.3	73%	0.733	68%	0.675	S	S	*	*			trans	-86.4	92.9	171.4	-109.1	-20	0	0	0	108.9	S27	D25-S27 VanDerWaalsContact C-N 3.28Å; D25-S27 PolarHBondContact O-N 3.02Å
26	D	46.1	Very low	42	Very low	146 Å²	146	117.6 Å²	117.6	78%	0.781	66%	0.658	S	S	*	*			trans	-83.4	72.7	164.6	-88.9	-24.6	0	0	0	109.3	D24 L37	D24-D26 PolarHBondContact O-N 2.64Å; D26-L37 WeakPolarHBondContact O-CD2 2.95Å; D26-L37 WeakPolarHBondContact O-CG 3.11Å
27	S	38.6	Very low	42.4	Very low	48 Å²	48	117.7 Å²	117.7	34%	0.336	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-80.6	119.5	173.8	75.1	0	0	0	0	112.6	D25 D35 L37	D25-S27 VanDerWaalsContact C-N 3.28Å; D25-S27 PolarHBondContact O-N 3.02Å; S27-D35 WeakPolarHBondContact CB-OD1 3.33Å; S27-D35 PolarHBondContact OG-OD1 2.9Å; S27-L37 VanDerWaalsContact CA-CD1 3.5Å; S27-L37 VanDerWaalsContact CB-CD1 3.47Å
28	I	40.8	Very low	42.9	Very low	121 Å²	121	118.2 Å²	118.2	62%	0.621	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-89.1	141.7	164	-65.1	173.3	0	0	0	106.9	D35 V36 L37	I28-D35 CarbonylContact O-C 2.89Å; I28-V36 CarbonylContact C-O 3.5Å; I28-V36 CarbonylContact O-C 3.42Å; I28-V36 WeakPolarHBondContact O-CA 3.09Å; I28-V36 PolarHBondContact O-N 3.27Å; I28-L37 PolarHBondContact O-N 3.13Å
29	V	38.9	Very low	43.3	Very low	78 Å²	78	115.6 Å²	115.6	47%	0.473	64%	0.636	S	S	.	*	B	Isolated β-bridge	trans	-103.6	131.8	-176.8	-164.7	0	0	0	0	109.4	R34	V29-R34 CarbonylContact C-O 3.55Å; V29-R34 WeakPolarHBondContact CA-O 3.42Å; V29-R34 WeakPolarHBondContact CG1-O 3.42Å
30	D	46	Very low	44.5	Very low	56 Å²	56	111.3 Å²	111.3	30%	0.299	62%	0.617	S	S	.	*			trans	-71.4	175.4	175.4	74.8	2.1	0	0	0	113.2	N32 G33 R34 V36	D30-N32 PolarHBondContact O-N 3.49Å; D30-N32 VanDerWaalsContact OD1-CA 3.32Å; D30-N32 WeakPolarHBondContact OD1-CA 3.4Å; D30-N32 WeakPolarHBondContact OD1-CB 3.06Å; D30-N32 PolarHBondContact OD1-N 3.41Å; D30-G33 PolarHBondContact O-N 3.2Å; D30-G33 PolarHBondContact OD1-N 3.44Å; D30-R34 PolarHBondContact N-O 3.22Å; D30-R34 PolarHBondContact OD1-N 2.83Å; D30-V36 HydrophobicContact CB-CB 4.01Å; D30-V36 HydrophobicContact CB-CG2 3.48Å; D30-V36 VanDerWaalsContact CB-CG2 3.48Å
31	Q	55.6	Low	45.6	Very low	202 Å²	202	107.1 Å²	107.1	94%	0.944	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-7.7	177.8	-63	-178.6	0.1	0	0	114.1
32	N	52.7	Low	46.9	Very low	131 Å²	131	103 Å²	103	70%	0.701	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	9.8	175.9	-62.7	-43.9	0	0	0	113.2	D30 R34	D30-N32 PolarHBondContact O-N 3.49Å; D30-N32 VanDerWaalsContact OD1-CA 3.32Å; D30-N32 WeakPolarHBondContact OD1-CA 3.4Å; D30-N32 WeakPolarHBondContact OD1-CB 3.06Å; D30-N32 PolarHBondContact OD1-N 3.41Å; N32-R34 PolarHBondContact O-N 3.43Å
33	G	45.9	Very low	48.4	Very low	61 Å²	61	97.6 Å²	97.6	63%	0.629	53%	0.527	S	S	*	.	S	Bend	trans	71.7	18.2	179.3	0	0	0	0	0	113.5	D30	D30-G33 PolarHBondContact O-N 3.2Å; D30-G33 PolarHBondContact OD1-N 3.44Å
34	R	41.1	Very low	50.3	Low	186 Å²	186	91.5 Å²	91.5	70%	0.702	49%	0.494	S	S	*	.			trans	-100.2	135.4	173.1	-65.3	-176.3	-178.6	-173.4	0.3	109.1	V29 D30 N32 V36	V29-R34 CarbonylContact C-O 3.55Å; V29-R34 WeakPolarHBondContact CA-O 3.42Å; V29-R34 WeakPolarHBondContact CG1-O 3.42Å; D30-R34 PolarHBondContact N-O 3.22Å; D30-R34 PolarHBondContact OD1-N 2.83Å; N32-R34 PolarHBondContact O-N 3.43Å; R34-V36 PolarHBondContact O-N 3.46Å
35	D	38.4	Very low	51.9	Low	106 Å²	106	84.9 Å²	84.9	57%	0.567	46%	0.459	S	S	*	.	B	Isolated β-bridge	trans	-53.6	108.9	169.1	-72.7	-46.2	0	0	0	109.2	S27 I28	S27-D35 WeakPolarHBondContact CB-OD1 3.33Å; S27-D35 PolarHBondContact OG-OD1 2.9Å; I28-D35 CarbonylContact O-C 2.89Å
36	V	38.8	Very low	53.3	Low	62 Å²	62	82.5 Å²	82.5	38%	0.376	44%	0.443	S	S	.	.			trans	-114.1	84.2	163.8	-178.7	0	0	0	0	104.9	I28 D30 R34 D38	I28-V36 CarbonylContact C-O 3.5Å; I28-V36 CarbonylContact O-C 3.42Å; I28-V36 WeakPolarHBondContact O-CA 3.09Å; I28-V36 PolarHBondContact O-N 3.27Å; D30-V36 HydrophobicContact CB-CB 4.01Å; D30-V36 HydrophobicContact CB-CG2 3.48Å; D30-V36 VanDerWaalsContact CB-CG2 3.48Å; R34-V36 PolarHBondContact O-N 3.46Å; V36-D38 PolarHBondContact O-N 3.13Å
37	L	44.1	Very low	54.8	Low	57 Å²	57	81.4 Å²	81.4	30%	0.298	43%	0.434	S	S	.	.			trans	-53.2	97.8	150.2	-85.3	101.2	0	0	0	105.4	D26 S27 I28 N39	D26-L37 WeakPolarHBondContact O-CD2 2.95Å; D26-L37 WeakPolarHBondContact O-CG 3.11Å; S27-L37 VanDerWaalsContact CA-CD1 3.5Å; S27-L37 VanDerWaalsContact CB-CD1 3.47Å; I28-L37 PolarHBondContact O-N 3.13Å; L37-N39 HydrophobicContact CB-CB 3.91Å; L37-N39 HydrophobicContact CD2-CB 4.47Å; L37-N39 WeakPolarHBondContact CD2-ND2 3.26Å; L37-N39 PolarHBondContact O-N 3.27Å
38	D	48.4	Very low	56.5	Low	115 Å²	115	85.1 Å²	85.1	62%	0.615	45%	0.45	S	S	*	.			trans	-73.5	66.8	158.8	-163.3	-1.1	0	0	0	106.9	V36 S40	V36-D38 PolarHBondContact O-N 3.13Å; D38-S40 PolarHBondContact O-N 3.39Å; D38-S40 VanDerWaalsContact O-N 3.12Å; D38-S40 WeakPolarHBondContact OD1-CB 3.44Å; D38-S40 PolarHBondContact OD1-N 3.37Å; D38-S40 PolarHBondContact OD1-OG 3.03Å
39	N	53.8	Low	58.2	Low	78 Å²	78	85.1 Å²	85.1	42%	0.417	45%	0.447	S	S	.	.			trans	-76.3	15.4	176.1	-107.8	-8.9	0	0	0	110.6	L37 K98	L37-N39 HydrophobicContact CB-CB 3.91Å; L37-N39 HydrophobicContact CD2-CB 4.47Å; L37-N39 WeakPolarHBondContact CD2-ND2 3.26Å; L37-N39 PolarHBondContact O-N 3.27Å; N39-K98 PolarHBondContact O-NZ 3.5Å; N39-K98 PolarHBondContact OD1-NZ 3.03Å
40	S	58.4	Low	60.3	Low	55 Å²	55	88.8 Å²	88.8	39%	0.385	46%	0.459	S	S	.	.			trans	-64.6	131.9	-174.2	65.8	0	0	0	0	109.5	D38 L42	D38-S40 PolarHBondContact O-N 3.39Å; D38-S40 VanDerWaalsContact O-N 3.12Å; D38-S40 WeakPolarHBondContact OD1-CB 3.44Å; D38-S40 PolarHBondContact OD1-N 3.37Å; D38-S40 PolarHBondContact OD1-OG 3.03Å; S40-L42 PolarHBondContact O-N 3.2Å
41	P	62.5	Low	61.7	Low	13 Å²	13	87.8 Å²	87.8	8%	0.084	45%	0.454	C	S	.	.			trans	-36	118.9	166.1	-42	43.1	0	0	0	115.1	F43 Y96	P41-F43 HydrophobicContact CB-CD2 3.66Å; P41-F43 HydrophobicContact CB-CE2 3.17Å; P41-F43 HydrophobicContact CB-CZ 3.8Å; P41-F43 HydrophobicContact CG-CE2 4.15Å; P41-F43 VanDerWaalsContact O-CD2 3.26Å; P41-F43 WeakPolarHBondContact O-CD2 3.06Å; P41-F43 PolarHBondContact O-N 3.5Å; P41-Y96 HydrophobicContact CB-CD2 3.73Å; P41-Y96 HydrophobicContact CB-CE2 3.15Å; P41-Y96 HydrophobicContact CG-CD2 4.41Å; P41-Y96 HydrophobicContact CG-CE2 3.48Å; P41-Y96 VanDerWaalsContact CG-CE2 3.48Å
42	L	65.6	Low	62.7	Low	77 Å²	77	83.4 Å²	83.4	40%	0.403	44%	0.437	S	S	.	.			trans	-78.2	117	166.7	-176.8	69.2	0	0	0	109.2	S40 I44 E50 Y96 K97	S40-L42 PolarHBondContact O-N 3.2Å; L42-I44 HydrophobicContact CD1-CG2 4.43Å; L42-I44 HydrophobicContact CD2-CG2 4.34Å; L42-I44 HydrophobicContact CG-CG2 4.09Å; L42-E50 HydrophobicContact CD1-CG 4.1Å; L42-Y96 WeakPolarHBondContact O-CA 3.33Å; L42-K97 PolarHBondContact O-N 2.91Å
43	F	75.6	Confident	63.6	Low	2 Å²	2	79 Å²	79	1%	0.009	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.9	175.6	-67.7	-84.3	0	0	0	110.3	P41 E50 L51 T53 F57 V94 S95 Y96 Y137	P41-F43 HydrophobicContact CB-CD2 3.66Å; P41-F43 HydrophobicContact CB-CE2 3.17Å; P41-F43 HydrophobicContact CB-CZ 3.8Å; P41-F43 HydrophobicContact CG-CE2 4.15Å; P41-F43 VanDerWaalsContact O-CD2 3.26Å; P41-F43 WeakPolarHBondContact O-CD2 3.06Å; P41-F43 PolarHBondContact O-N 3.5Å; F43-E50 WeakPolarHBondContact O-CA 3.38Å; F43-L51 HydrophobicContact CB-CB 4.25Å; F43-L51 PolarHBondContact O-N 2.95Å; F43-T53 HydrophobicContact CB-CG2 3.87Å; F43-T53 HydrophobicContact CD2-CG2 3.04Å; F43-T53 HydrophobicContact CE2-CG2 3.56Å; F43-T53 HydrophobicContact CG-CG2 3.69Å; F43-F57 HydrophobicContact CD1-CZ 4.48Å; F43-F57 HydrophobicContact CE1-CE2 4.31Å; F43-F57 AromaticContact CE1-CZ 3.73Å; F43-F57 HydrophobicContact CE1-CZ 3.73Å; F43-F57 HydrophobicContact CE2-CE2 4.09Å; F43-F57 HydrophobicContact CE2-CZ 4.32Å; F43-F57 AromaticContact CZ-CE2 3.78Å; F43-F57 HydrophobicContact CZ-CE2 3.78Å; F43-F57 AromaticContact CZ-CZ 3.6Å; F43-F57 HydrophobicContact CZ-CZ 3.6Å; F43-V94 HydrophobicContact CB-CG1 3.9Å; F43-V94 HydrophobicContact CD1-CG1 3.38Å; F43-V94 HydrophobicContact CE1-CG1 4.22Å; F43-V94 HydrophobicContact CG-CG1 4.05Å; F43-S95 CarbonylContact C-O 3.56Å; F43-S95 WeakPolarHBondContact CA-O 3.28Å; F43-Y96 HydrophobicContact CD1-CD2 4.05Å; F43-Y96 AromaticContact CE1-CD2 3.59Å; F43-Y96 HydrophobicContact CE1-CD2 3.59Å; F43-Y96 HydrophobicContact CE1-CG 4.32Å; F43-Y96 HydrophobicContact CE2-CD2 4.29Å; F43-Y96 AromaticContact CZ-CD2 3.77Å; F43-Y96 HydrophobicContact CZ-CD2 3.77Å; F43-Y96 HydrophobicContact CZ-CE2 4.37Å; F43-Y137 AromaticContact CE1-CD2 3.57Å; F43-Y137 HydrophobicContact CE1-CD2 3.57Å; F43-Y137 AromaticContact CE1-CE2 3.63Å; F43-Y137 HydrophobicContact CE1-CE2 3.63Å; F43-Y137 AromaticContact CZ-CD2 3.77Å; F43-Y137 HydrophobicContact CZ-CD2 3.77Å; F43-Y137 HydrophobicContact CZ-CE2 4.19Å
44	I	78	Confident	64.8	Low	24 Å²	24	81.5 Å²	81.5	12%	0.123	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.1	-176.4	66.1	-176.5	0	0	0	112	L42 D48 Q49 L51 S95	L42-I44 HydrophobicContact CD1-CG2 4.43Å; L42-I44 HydrophobicContact CD2-CG2 4.34Å; L42-I44 HydrophobicContact CG-CG2 4.09Å; I44-D48 HydrophobicContact CD1-CB 4.5Å; I44-D48 WeakPolarHBondContact CD1-OD1 3.46Å; I44-Q49 CarbonylContact C-O 3.54Å; I44-Q49 WeakPolarHBondContact CA-O 3.47Å; I44-L51 WeakPolarHBondContact O-CD1 3.07Å; I44-S95 PolarHBondContact N-O 2.88Å; I44-S95 PolarHBondContact O-N 2.88Å
45	N	79	Confident	66.3	Low	27 Å²	27	76.7 Å²	76.7	14%	0.144	39%	0.391	C	S	.	.			trans	-85.8	-166.5	176.3	68.6	8.1	0	0	0	112.4	Q47 D48 Q49 L51	N45-Q47 VanDerWaalsContact CG-OE1 3.25Å; N45-Q47 PolarHBondContact ND2-OE1 3.25Å; N45-Q47 PolarHBondContact O-N 2.96Å; N45-Q47 WeakPolarHBondContact OD1-CA 3.37Å; N45-Q47 PolarHBondContact OD1-N 3.32Å; N45-Q47 PolarHBondContact OD1-OE1 3.04Å; N45-D48 PolarHBondContact O-N 3.35Å; N45-D48 PolarHBondContact OD1-N 2.93Å; N45-Q49 PolarHBondContact N-O 3.41Å; N45-Q49 PolarHBondContact ND2-OE1 2.91Å; N45-Q49 WeakPolarHBondContact OD1-CB 3.33Å; N45-Q49 PolarHBondContact OD1-N 3.16Å; N45-L51 HydrophobicContact CB-CD1 3.9Å; N45-L51 HydrophobicContact CB-CD2 3.74Å; N45-L51 HydrophobicContact CB-CG 3.91Å
46	E	70.6	Confident	68	Low	87 Å²	87	72.3 Å²	72.3	41%	0.407	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.6	176.9	-73.9	-173.8	167.1	0	0	114.4	H86 K93	E46-H86 IonicContact OE1-CE1 2.78Å; E46-H86 PolarHBondContact OE1-CE1 3.29Å; E46-H86 IonicContact OE1-ND1 3.22Å; E46-H86 PolarHBondContact OE1-ND1 3.43Å; E46-H86 IonicContact OE2-ND1 3.42Å; E46-K93 HydrophobicContact CG-CB 4.24Å; E46-K93 HydrophobicContact CG-CD 3.65Å; E46-K93 HydrophobicContact CG-CG 4.4Å
47	Q	77.7	Confident	69.7	Low	123 Å²	123	69.7 Å²	69.7	58%	0.575	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	16.7	179.6	-59.8	78.6	19.8	0	0	112.1	N45 Q49	N45-Q47 VanDerWaalsContact CG-OE1 3.25Å; N45-Q47 PolarHBondContact ND2-OE1 3.25Å; N45-Q47 PolarHBondContact O-N 2.96Å; N45-Q47 WeakPolarHBondContact OD1-CA 3.37Å; N45-Q47 PolarHBondContact OD1-N 3.32Å; N45-Q47 PolarHBondContact OD1-OE1 3.04Å; Q47-Q49 HydrophobicContact CB-CG 4.24Å; Q47-Q49 PolarHBondContact O-N 3.28Å
48	D	74	Confident	71	Confident	127 Å²	127	73.4 Å²	73.4	68%	0.679	36%	0.362	S	S	*	.	S	Bend	trans	57.3	24.4	-177.2	-62.4	-43.8	0	0	0	114.3	I44 N45	I44-D48 HydrophobicContact CD1-CB 4.5Å; I44-D48 WeakPolarHBondContact CD1-OD1 3.46Å; N45-D48 PolarHBondContact O-N 3.35Å; N45-D48 PolarHBondContact OD1-N 2.93Å
49	Q	78.1	Confident	72.2	Confident	121 Å²	121	71.3 Å²	71.3	57%	0.565	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-89.5	137.7	175.1	-59.2	176	-25.9	0	0	110.4	I44 N45 Q47 L51	I44-Q49 CarbonylContact C-O 3.54Å; I44-Q49 WeakPolarHBondContact CA-O 3.47Å; N45-Q49 PolarHBondContact N-O 3.41Å; N45-Q49 PolarHBondContact ND2-OE1 2.91Å; N45-Q49 WeakPolarHBondContact OD1-CB 3.33Å; N45-Q49 PolarHBondContact OD1-N 3.16Å; Q47-Q49 HydrophobicContact CB-CG 4.24Å; Q47-Q49 PolarHBondContact O-N 3.28Å; Q49-L51 PolarHBondContact O-N 3.21Å
50	E	81.5	Confident	73.3	Confident	154 Å²	154	67.6 Å²	67.6	72%	0.72	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-59.8	132.8	176.4	-170.3	177.6	175.3	0	0	111.4	L42 F43	L42-E50 HydrophobicContact CD1-CG 4.1Å; F43-E50 WeakPolarHBondContact O-CA 3.38Å
51	L	76.1	Confident	74.1	Confident	35 Å²	35	67 Å²	67	18%	0.183	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-101.1	137.6	-174.4	-79.4	174	0	0	0	111.5	F43 I44 N45 Q49 T53 I56 V94	F43-L51 HydrophobicContact CB-CB 4.25Å; F43-L51 PolarHBondContact O-N 2.95Å; I44-L51 WeakPolarHBondContact O-CD1 3.07Å; N45-L51 HydrophobicContact CB-CD1 3.9Å; N45-L51 HydrophobicContact CB-CD2 3.74Å; N45-L51 HydrophobicContact CB-CG 3.91Å; Q49-L51 PolarHBondContact O-N 3.21Å; L51-T53 VanDerWaalsContact C-N 3.34Å; L51-T53 PolarHBondContact O-N 3.04Å; L51-I56 HydrophobicContact CB-CD1 3.5Å; L51-I56 HydrophobicContact CD1-CD1 3.54Å; L51-I56 HydrophobicContact CD2-CD1 3.87Å; L51-I56 HydrophobicContact CG-CD1 3.81Å; L51-V94 HydrophobicContact CD1-CB 4.43Å; L51-V94 HydrophobicContact CD1-CG1 3.91Å; L51-V94 HydrophobicContact CD1-CG2 4.43Å
52	N	76	Confident	75.1	Confident	110 Å²	110	68.8 Å²	68.8	59%	0.588	34%	0.335	S	S	*	.			trans	-71.2	94.3	166.1	-172.7	-23.9	0	0	0	110	Y54 Q55 I56	N52-Y54 PolarHBondContact O-N 3.46Å; N52-Y54 WeakPolarHBondContact OD1-CB 3.35Å; N52-Y54 PolarHBondContact OD1-N 3.07Å; N52-Y54 VanDerWaalsContact OD1-N 3.14Å; N52-Q55 HydrophobicContact CB-CB 4.47Å; N52-Q55 PolarHBondContact O-N 3.41Å; N52-Q55 VanDerWaalsContact O-N 3.09Å; N52-Q55 PolarHBondContact OD1-N 2.9Å; N52-I56 PolarHBondContact O-N 2.93Å
53	T	70.9	Confident	76.1	Confident	39 Å²	39	65.1 Å²	65.1	24%	0.239	32%	0.316	C	S	.	.	H	α-helix	trans	-54.5	-35.6	-178.5	60.5	0	0	0	0	113.6	F43 L51 Q55 I56 F57	F43-T53 HydrophobicContact CB-CG2 3.87Å; F43-T53 HydrophobicContact CD2-CG2 3.04Å; F43-T53 HydrophobicContact CE2-CG2 3.56Å; F43-T53 HydrophobicContact CG-CG2 3.69Å; L51-T53 VanDerWaalsContact C-N 3.34Å; L51-T53 PolarHBondContact O-N 3.04Å; T53-Q55 VanDerWaalsContact C-N 3.34Å; T53-Q55 PolarHBondContact O-N 3.43Å; T53-I56 PolarHBondContact O-N 3.17Å; T53-F57 WeakPolarHBondContact O-CD2 3.48Å; T53-F57 WeakPolarHBondContact O-CG 2.85Å; T53-F57 PolarHBondContact O-N 3.48Å
54	Y	71.4	Confident	76.7	Confident	114 Å²	114	65.7 Å²	65.7	45%	0.447	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-43.3	179.8	179.3	-89.9	0	0	0	111	N52 R58	N52-Y54 PolarHBondContact O-N 3.46Å; N52-Y54 WeakPolarHBondContact OD1-CB 3.35Å; N52-Y54 PolarHBondContact OD1-N 3.07Å; N52-Y54 VanDerWaalsContact OD1-N 3.14Å; Y54-R58 WeakPolarHBondContact O-CB 3.31Å; Y54-R58 PolarHBondContact O-N 3.01Å
55	Q	73	Confident	77.2	Confident	84 Å²	84	65 Å²	65	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-67.1	-45	179.5	-174.1	56.8	42.1	0	0	111.3	N52 T53 R58 D59	N52-Q55 HydrophobicContact CB-CB 4.47Å; N52-Q55 PolarHBondContact O-N 3.41Å; N52-Q55 VanDerWaalsContact O-N 3.09Å; N52-Q55 PolarHBondContact OD1-N 2.9Å; T53-Q55 VanDerWaalsContact C-N 3.34Å; T53-Q55 PolarHBondContact O-N 3.43Å; Q55-R58 WeakPolarHBondContact O-CB 3.43Å; Q55-R58 PolarHBondContact O-N 3.36Å; Q55-D59 PolarHBondContact NE2-OD1 2.91Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.13Å; Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 2.89Å; Q55-D59 VanDerWaalsContact O-N 3.13Å
56	I	74	Confident	77.8	Confident	15 Å²	15	63.8 Å²	63.8	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-49.7	-178.2	-66.5	158.8	0	0	0	111.9	L51 N52 T53 R58 D59 Y60 I92 V94	L51-I56 HydrophobicContact CB-CD1 3.5Å; L51-I56 HydrophobicContact CD1-CD1 3.54Å; L51-I56 HydrophobicContact CD2-CD1 3.87Å; L51-I56 HydrophobicContact CG-CD1 3.81Å; N52-I56 PolarHBondContact O-N 2.93Å; T53-I56 PolarHBondContact O-N 3.17Å; I56-R58 PolarHBondContact O-N 2.93Å; I56-D59 WeakPolarHBondContact O-CB 3.4Å; I56-D59 PolarHBondContact O-N 3.4Å; I56-Y60 HydrophobicContact CG2-CE1 3.88Å; I56-Y60 HydrophobicContact CG2-CE2 4.38Å; I56-Y60 WeakPolarHBondContact O-CD1 3.22Å; I56-Y60 PolarHBondContact O-N 2.82Å; I56-I92 HydrophobicContact CG2-CG2 3.86Å; I56-V94 HydrophobicContact CD1-CG2 4.17Å; I56-V94 HydrophobicContact CG2-CG2 3.64Å
57	F	74.7	Confident	78.8	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-71.2	-23.5	-179.4	-62.1	-48.3	0	0	0	112	F43 T53 D59 Y60 Y137 R140 V141 R144	F43-F57 HydrophobicContact CD1-CZ 4.48Å; F43-F57 HydrophobicContact CE1-CE2 4.31Å; F43-F57 AromaticContact CE1-CZ 3.73Å; F43-F57 HydrophobicContact CE1-CZ 3.73Å; F43-F57 HydrophobicContact CE2-CE2 4.09Å; F43-F57 HydrophobicContact CE2-CZ 4.32Å; F43-F57 AromaticContact CZ-CE2 3.78Å; F43-F57 HydrophobicContact CZ-CE2 3.78Å; F43-F57 AromaticContact CZ-CZ 3.6Å; F43-F57 HydrophobicContact CZ-CZ 3.6Å; T53-F57 WeakPolarHBondContact O-CD2 3.48Å; T53-F57 WeakPolarHBondContact O-CG 2.85Å; T53-F57 PolarHBondContact O-N 3.48Å; F57-D59 VanDerWaalsContact C-N 3.26Å; F57-D59 PolarHBondContact O-N 3.17Å; F57-Y60 AromaticContact CD1-CD2 3.73Å; F57-Y60 HydrophobicContact CD1-CD2 3.73Å; F57-Y60 AromaticContact CD1-CE2 3.75Å; F57-Y60 HydrophobicContact CD1-CE2 3.75Å; F57-Y60 HydrophobicContact CE1-CD2 4.37Å; F57-Y60 AromaticContact CE1-CE2 3.97Å; F57-Y60 HydrophobicContact CE1-CE2 3.97Å; F57-Y60 WeakPolarHBondContact O-CB 3.1Å; F57-Y60 PolarHBondContact O-N 3.31Å; F57-Y137 HydrophobicContact CE1-CE2 4.17Å; F57-Y137 HydrophobicContact CZ-CD2 4.41Å; F57-Y137 AromaticContact CZ-CE2 3.98Å; F57-Y137 HydrophobicContact CZ-CE2 3.98Å; F57-R140 HydrophobicContact CD2-CB 4.07Å; F57-R140 HydrophobicContact CE2-CB 3.9Å; F57-R140 HydrophobicContact CZ-CB 4.48Å; F57-V141 HydrophobicContact CD1-CB 4.46Å; F57-V141 HydrophobicContact CD1-CG2 3.92Å; F57-V141 HydrophobicContact CE1-CB 4.46Å; F57-V141 HydrophobicContact CE1-CG2 3.48Å; F57-V141 VanDerWaalsContact CE1-CG2 3.48Å; F57-V141 HydrophobicContact CZ-CG2 4.19Å; F57-R144 HydrophobicContact CB-CG 4.38Å; F57-R144 WeakPolarHBondContact O-CB 3.15Å
58	R	72.6	Confident	79.6	Confident	136 Å²	136	53.8 Å²	53.8	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-30.7	168.8	-177.9	-179.8	179.3	-168.1	0.8	112	Y54 Q55 I56 Y60 T61	Y54-R58 WeakPolarHBondContact O-CB 3.31Å; Y54-R58 PolarHBondContact O-N 3.01Å; Q55-R58 WeakPolarHBondContact O-CB 3.43Å; Q55-R58 PolarHBondContact O-N 3.36Å; I56-R58 PolarHBondContact O-N 2.93Å; R58-Y60 PolarHBondContact O-N 3.36Å; R58-T61 WeakPolarHBondContact O-CG2 3.37Å
59	D	72.6	Confident	80.5	Confident	70 Å²	70	47.7 Å²	47.7	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-74.8	-12.2	175.7	-58.9	-25.8	0	0	0	112.1	Q55 I56 F57 T61 I92	Q55-D59 PolarHBondContact NE2-OD1 2.91Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.13Å; Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 2.89Å; Q55-D59 VanDerWaalsContact O-N 3.13Å; I56-D59 WeakPolarHBondContact O-CB 3.4Å; I56-D59 PolarHBondContact O-N 3.4Å; F57-D59 VanDerWaalsContact C-N 3.26Å; F57-D59 PolarHBondContact O-N 3.17Å; D59-T61 PolarHBondContact O-N 3.22Å; D59-T61 VanDerWaalsContact O-N 3.16Å; D59-I92 HydrophobicContact CB-CD1 4.18Å
60	Y	77.9	Confident	81.1	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.			trans	-87.7	44.3	178.4	-64.9	2.7	0	0	0	112.4	I56 F57 R58 T62 I63 I92 Y107 L115 V141	I56-Y60 HydrophobicContact CG2-CE1 3.88Å; I56-Y60 HydrophobicContact CG2-CE2 4.38Å; I56-Y60 WeakPolarHBondContact O-CD1 3.22Å; I56-Y60 PolarHBondContact O-N 2.82Å; F57-Y60 AromaticContact CD1-CD2 3.73Å; F57-Y60 HydrophobicContact CD1-CD2 3.73Å; F57-Y60 AromaticContact CD1-CE2 3.75Å; F57-Y60 HydrophobicContact CD1-CE2 3.75Å; F57-Y60 HydrophobicContact CE1-CD2 4.37Å; F57-Y60 AromaticContact CE1-CE2 3.97Å; F57-Y60 HydrophobicContact CE1-CE2 3.97Å; F57-Y60 WeakPolarHBondContact O-CB 3.1Å; F57-Y60 PolarHBondContact O-N 3.31Å; R58-Y60 PolarHBondContact O-N 3.36Å; Y60-T62 PolarHBondContact O-N 3.37Å; Y60-I63 HydrophobicContact CD2-CD1 4.36Å; Y60-I63 HydrophobicContact CG-CD1 4.48Å; Y60-I92 HydrophobicContact CE1-CB 4.4Å; Y60-I92 HydrophobicContact CE1-CD1 4.23Å; Y60-I92 HydrophobicContact CE1-CG2 4.38Å; Y60-Y107 AromaticContact CD1-CD1 3.64Å; Y60-Y107 HydrophobicContact CD1-CD1 3.64Å; Y60-Y107 HydrophobicContact CD1-CD2 4.29Å; Y60-Y107 HydrophobicContact CD1-CE1 4.25Å; Y60-Y107 AromaticContact CD1-CG 3.66Å; Y60-Y107 HydrophobicContact CD1-CG 3.66Å; Y60-Y107 AromaticContact CE1-CD1 3.86Å; Y60-Y107 HydrophobicContact CE1-CD1 3.86Å; Y60-Y107 AromaticContact CE1-CG 3.68Å; Y60-Y107 HydrophobicContact CE1-CG 3.68Å; Y60-Y107 HydrophobicContact CG-CG 4.43Å; Y60-L115 HydrophobicContact CD2-CD1 4.34Å; Y60-L115 HydrophobicContact CE2-CD1 3.82Å; Y60-V141 HydrophobicContact CD2-CG1 4.28Å
61	T	74.6	Confident	81.2	Confident	42 Å²	42	34.8 Å²	34.8	26%	0.258	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.7	-172.2	50.1	0	0	0	0	114.2	R58 D59 N145 E146	R58-T61 WeakPolarHBondContact O-CG2 3.37Å; D59-T61 PolarHBondContact O-N 3.22Å; D59-T61 VanDerWaalsContact O-N 3.16Å; T61-N145 PolarHBondContact O-ND2 3.22Å; T61-E146 HydrophobicContact CG2-CG 4.23Å; T61-E146 PolarHBondContact O-N 2.79Å
62	T	83.1	Confident	81.4	Confident	52 Å²	52	34.2 Å²	34.2	32%	0.319	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	24.3	-163.4	52.2	0	0	0	0	114.8	Y60 S64 Y107 N113	Y60-T62 PolarHBondContact O-N 3.37Å; T62-S64 PolarHBondContact O-N 3.31Å; T62-S64 VanDerWaalsContact O-N 3.1Å; T62-S64 PolarHBondContact O-OG 2.9Å; T62-Y107 PolarHBondContact OG1-OH 2.94Å; T62-Y107 VanDerWaalsContact OG1-OH 3.07Å; T62-N113 WeakPolarHBondContact O-CB 3.23Å; T62-N113 PolarHBondContact O-ND2 3.21Å; T62-N113 PolarHBondContact OG1-OD1 3.07Å
63	I	87.1	Confident	81.7	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.			trans	-49.7	122.1	179.6	-57	163.4	0	0	0	110.2	Y60 V66 Y107 N113 L115 V141 F142 N145 T154	Y60-I63 HydrophobicContact CD2-CD1 4.36Å; Y60-I63 HydrophobicContact CG-CD1 4.48Å; I63-V66 HydrophobicContact CG2-CG2 3.82Å; I63-Y107 HydrophobicContact CG1-CD2 4.44Å; I63-Y107 HydrophobicContact CG1-CE2 3.98Å; I63-N113 WeakPolarHBondContact CA-O 3.26Å; I63-L115 HydrophobicContact CD1-CB 4.35Å; I63-L115 HydrophobicContact CD1-CD2 3.93Å; I63-L115 HydrophobicContact CG1-CB 4.38Å; I63-L115 HydrophobicContact CG2-CB 3.98Å; I63-V141 HydrophobicContact CD1-CG1 3.83Å; I63-F142 HydrophobicContact CD1-CD1 4.3Å; I63-F142 HydrophobicContact CD1-CE1 4.08Å; I63-F142 HydrophobicContact CG2-CE1 4.43Å; I63-N145 WeakPolarHBondContact CB-ND2 3.41Å; I63-N145 PolarHBondContact N-ND2 2.77Å; I63-N145 VanDerWaalsContact N-ND2 3.15Å; I63-T154 PolarHBondContact O-OG1 3.42Å
64	S	86.9	Confident	82.4	Confident	14 Å²	14	27.1 Å²	27.1	10%	0.098	13%	0.13	C	C	.	.			trans	-108.7	-30.2	174.8	-30.8	0	0	0	0	112.4	T62 D112 N113 I155 K156	T62-S64 PolarHBondContact O-N 3.31Å; T62-S64 VanDerWaalsContact O-N 3.1Å; T62-S64 PolarHBondContact O-OG 2.9Å; S64-D112 VanDerWaalsContact CB-O 3.25Å; S64-D112 WeakPolarHBondContact CB-O 3.13Å; S64-D112 PolarHBondContact OG-O 3.19Å; S64-N113 PolarHBondContact N-O 2.82Å; S64-N113 PolarHBondContact OG-ND2 3.36Å; S64-I155 CarbonylContact O-C 3.5Å; S64-I155 WeakPolarHBondContact O-CA 3.43Å; S64-K156 PolarHBondContact O-N 3.39Å
65	H	89.4	Confident	83.1	Confident	10 Å²	10	21.9 Å²	21.9	5%	0.046	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.5	-175.7	-59.2	-78.7	0	0	0	110.1	D112 N113 T114 L115 D157 I253	H65-D112 PolarHBondContact CD2-O 2.82Å; H65-N113 PolarHBondContact N-O 3.18Å; H65-T114 HydrophobicContact CB-CG2 4.22Å; H65-T114 CarbonylContact O-C 3.53Å; H65-T114 WeakPolarHBondContact O-CA 3.2Å; H65-L115 PolarHBondContact O-N 3.08Å; H65-D157 WeakPolarHBondContact CA-O 3.49Å; H65-D157 IonicContact CE1-OD2 2.95Å; H65-D157 PolarHBondContact CE1-OD2 2.97Å; H65-D157 IonicContact CG-OD2 3.83Å; H65-D157 VanDerWaalsContact ND1-CG 3.29Å; H65-D157 IonicContact ND1-OD1 3.81Å; H65-D157 PolarHBondContact ND1-OD1 3.14Å; H65-D157 IonicContact ND1-OD2 3.69Å; H65-D157 PolarHBondContact ND1-OD2 2.93Å; H65-I253 HydrophobicContact CB-CD1 3.65Å
66	V	91.3	Very high	83.4	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.7	177.4	-176	0	0	0	0	109.9	I63 L115 I117 F142 I155 D157 I158 N159 F213	I63-V66 HydrophobicContact CG2-CG2 3.82Å; V66-L115 CarbonylContact C-O 3.58Å; V66-L115 VanDerWaalsContact CA-O 3.31Å; V66-L115 WeakPolarHBondContact CA-O 3.43Å; V66-I117 HydrophobicContact CG1-CD1 4.27Å; V66-F142 HydrophobicContact CG1-CZ 4.43Å; V66-F142 HydrophobicContact CG2-CE1 3.93Å; V66-F142 HydrophobicContact CG2-CZ 3.75Å; V66-I155 HydrophobicContact CG2-CG2 4.41Å; V66-D157 PolarHBondContact N-O 2.86Å; V66-I158 HydrophobicContact CB-CB 4.24Å; V66-I158 HydrophobicContact CB-CG1 3.78Å; V66-I158 HydrophobicContact CB-CG2 4.11Å; V66-I158 HydrophobicContact CG1-CG2 4.24Å; V66-I158 HydrophobicContact CG2-CG1 3.93Å; V66-I158 CarbonylContact O-C 3.59Å; V66-I158 WeakPolarHBondContact O-CA 3.42Å; V66-N159 PolarHBondContact O-N 3.35Å; V66-F213 HydrophobicContact CG1-CZ 4.4Å
67	I	92.7	Very high	83.8	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.4	171.9	-52.2	-179.8	0	0	0	108.3	V78 T114 L115 I116 I117 N159 L161 I251 L254	I67-V78 HydrophobicContact CG2-CG1 4.1Å; I67-V78 HydrophobicContact CG2-CG2 3.68Å; I67-T114 HydrophobicContact CD1-CG2 4.23Å; I67-T114 HydrophobicContact CG1-CG2 4.22Å; I67-L115 PolarHBondContact N-O 3.49Å; I67-I116 HydrophobicContact CB-CG1 4.25Å; I67-I116 HydrophobicContact CD1-CG1 4.49Å; I67-I116 CarbonylContact O-C 3.49Å; I67-I116 WeakPolarHBondContact O-CA 3.43Å; I67-I117 PolarHBondContact O-N 2.83Å; I67-N159 WeakPolarHBondContact CA-O 3.35Å; I67-L161 HydrophobicContact CG2-CD1 4.09Å; I67-I251 HydrophobicContact CD1-CD1 4.05Å; I67-I251 HydrophobicContact CD1-CG2 4.32Å; I67-I251 HydrophobicContact CG1-CD1 4.08Å; I67-I251 HydrophobicContact CG2-CD1 4.05Å; I67-L254 HydrophobicContact CD1-CD2 4.49Å; I67-L254 HydrophobicContact CD1-CG 4.41Å
68	L	94	Very high	84.3	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104	175.3	176.1	63.4	0	0	0	109.5	I70 I117 I119 F138 N159 V160 L161 A209	L68-I70 HydrophobicContact CD1-CG1 4.21Å; L68-I70 HydrophobicContact CD2-CD1 3.89Å; L68-I70 HydrophobicContact CD2-CG1 4.37Å; L68-I70 HydrophobicContact CG-CD1 4Å; L68-I70 HydrophobicContact CG-CG1 3.92Å; L68-I117 CarbonylContact C-O 3.59Å; L68-I117 WeakPolarHBondContact CA-O 3.38Å; L68-I117 HydrophobicContact CD1-CB 3.67Å; L68-I117 HydrophobicContact CD1-CG2 3.54Å; L68-I119 HydrophobicContact CD1-CD1 4.26Å; L68-I119 HydrophobicContact CD1-CG1 4.42Å; L68-F138 HydrophobicContact CD2-CE1 4.45Å; L68-F138 HydrophobicContact CD2-CZ 3.75Å; L68-N159 PolarHBondContact N-O 2.97Å; L68-V160 HydrophobicContact CB-CG2 4.3Å; L68-V160 HydrophobicContact CD2-CG1 4.11Å; L68-V160 HydrophobicContact CD2-CG2 4.09Å; L68-V160 HydrophobicContact CG-CG1 4.4Å; L68-V160 CarbonylContact O-C 3.47Å; L68-V160 WeakPolarHBondContact O-CA 3.33Å; L68-L161 PolarHBondContact O-N 2.83Å; L68-A209 HydrophobicContact CD2-CB 3.36Å
69	A	91.9	Very high	84.7	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.9	178.1	0	0	0	0	0	111	V78 I117 F118 I119 L161	A69-V78 HydrophobicContact CB-CG2 4.13Å; A69-I117 PolarHBondContact N-O 3.49Å; A69-F118 HydrophobicContact CB-CD1 3.72Å; A69-F118 HydrophobicContact CB-CE1 3.97Å; A69-F118 WeakPolarHBondContact O-CA 3.02Å; A69-I119 PolarHBondContact O-N 2.96Å; A69-L161 CarbonylContact C-O 3.6Å; A69-L161 WeakPolarHBondContact CA-O 3.39Å
70	I	90.9	Very high	84.8	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.6	-178.7	-54.8	175	0	0	0	109.4	L68 T74 I119 V160 L161 C162 S163 L205 P206	L68-I70 HydrophobicContact CD1-CG1 4.21Å; L68-I70 HydrophobicContact CD2-CD1 3.89Å; L68-I70 HydrophobicContact CD2-CG1 4.37Å; L68-I70 HydrophobicContact CG-CD1 4Å; L68-I70 HydrophobicContact CG-CG1 3.92Å; I70-T74 PolarHBondContact N-OG1 2.82Å; I70-T74 PolarHBondContact O-OG1 3.14Å; I70-T74 VanDerWaalsContact O-OG1 3.12Å; I70-I119 HydrophobicContact CG1-CB 4.42Å; I70-I119 HydrophobicContact CG1-CD1 4.2Å; I70-I119 HydrophobicContact CG2-CB 4.43Å; I70-V160 HydrophobicContact CD1-CG1 4.08Å; I70-L161 PolarHBondContact N-O 3.26Å; I70-C162 HydrophobicContact CB-CB 4.07Å; I70-C162 VanDerWaalsContact O-CA 3.27Å; I70-C162 WeakPolarHBondContact O-CA 3.33Å; I70-S163 PolarHBondContact O-N 2.88Å; I70-S163 VanDerWaalsContact O-N 3.17Å; I70-L205 HydrophobicContact CD1-CB 4.06Å; I70-P206 HydrophobicContact CB-CG 4.44Å; I70-P206 HydrophobicContact CD1-CB 4.15Å; I70-P206 HydrophobicContact CD1-CG 3.73Å; I70-P206 HydrophobicContact CG2-CG 4.28Å
71	G	85.3	Confident	84.7	Confident	4 Å²	4	8.9 Å²	8.9	4%	0.041	6%	0.055	C	C	.	.	S	Bend	trans	106.1	161	-176.5	0	0	0	0	0	112.5	L73 T74 S75 I119 E120	G71-L73 PolarHBondContact O-N 2.8Å; G71-T74 PolarHBondContact O-OG1 2.81Å; G71-S75 VanDerWaalsContact O-CB 3.23Å; G71-S75 WeakPolarHBondContact O-CB 3.19Å; G71-S75 PolarHBondContact O-N 3.13Å; G71-S75 PolarHBondContact O-OG 2.91Å; G71-I119 PolarHBondContact N-O 3.49Å; G71-E120 CarbonylContact C-O 3.57Å
72	P	78.3	Confident	84.8	Confident	22 Å²	22	7.1 Å²	7.1	14%	0.143	4%	0.044	C	C	.	.	H	α-helix	trans	-68.5	-36.5	-170	26.5	-36	0	0	0	112.6	A76 E120 A280	P72-A76 VanDerWaalsContact O-CB 3.28Å; P72-A76 WeakPolarHBondContact O-CB 3.23Å; P72-A76 PolarHBondContact O-N 2.9Å; P72-E120 WeakPolarHBondContact CD-O 3.25Å; P72-A280 HydrophobicContact CB-CB 3.69Å; P72-A280 HydrophobicContact CG-CB 3.11Å
73	L	82.7	Confident	84.4	Confident	0 Å²	0	7 Å²	7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.1	-47.6	-178.7	-70.5	171.5	0	0	0	112.4	G71 S75 A76 F77 Y227 V239 I242 F243 C277 A280 V281	G71-L73 PolarHBondContact O-N 2.8Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-A76 PolarHBondContact O-N 3.16Å; L73-F77 WeakPolarHBondContact O-CB 3.48Å; L73-F77 PolarHBondContact O-N 3.26Å; L73-Y227 HydrophobicContact CD1-CD1 3.74Å; L73-Y227 HydrophobicContact CD1-CD2 4.32Å; L73-Y227 HydrophobicContact CD1-CE1 4.15Å; L73-Y227 HydrophobicContact CD1-CG 3.84Å; L73-V239 HydrophobicContact CD2-CG1 4.31Å; L73-I242 HydrophobicContact CD1-CD1 4.13Å; L73-I242 HydrophobicContact CD1-CG2 4.29Å; L73-F243 HydrophobicContact CB-CE1 4.41Å; L73-F243 HydrophobicContact CD2-CE1 4.15Å; L73-F243 VanDerWaalsContact O-CE1 3.28Å; L73-F243 WeakPolarHBondContact O-CE1 3.43Å; L73-C277 HydrophobicContact CD2-CB 4.19Å; L73-A280 HydrophobicContact CG-CB 4.48Å; L73-V281 HydrophobicContact CD1-CG2 4Å; L73-V281 HydrophobicContact CD2-CG2 3.91Å; L73-V281 HydrophobicContact CG-CG2 4.46Å
74	T	86.7	Confident	83.6	Confident	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-69.6	-33.8	177.9	53.8	0	0	0	0	111	I70 G71 F77 V78 L161 V225	I70-T74 PolarHBondContact N-OG1 2.82Å; I70-T74 PolarHBondContact O-OG1 3.14Å; I70-T74 VanDerWaalsContact O-OG1 3.12Å; G71-T74 PolarHBondContact O-OG1 2.81Å; T74-F77 PolarHBondContact O-N 3.3Å; T74-V78 WeakPolarHBondContact O-CG2 3.46Å; T74-V78 PolarHBondContact O-N 3.48Å; T74-L161 HydrophobicContact CG2-CB 3.8Å; T74-L161 PolarHBondContact OG1-O 3.16Å; T74-L161 VanDerWaalsContact OG1-O 3.12Å; T74-V225 HydrophobicContact CG2-CG2 3.97Å
75	S	85.8	Confident	82.7	Confident	4 Å²	4	10.7 Å²	10.7	3%	0.028	7%	0.071	C	C	.	.	H	α-helix	trans	-62.9	-45.6	174.3	-61.4	0	0	0	0	111.9	G71 L73 T79 F118	G71-S75 VanDerWaalsContact O-CB 3.23Å; G71-S75 WeakPolarHBondContact O-CB 3.19Å; G71-S75 PolarHBondContact O-N 3.13Å; G71-S75 PolarHBondContact O-OG 2.91Å; L73-S75 VanDerWaalsContact C-N 3.31Å; S75-T79 WeakPolarHBondContact O-CB 3Å; S75-T79 PolarHBondContact O-N 2.98Å; S75-T79 PolarHBondContact O-OG1 3.15Å; S75-F118 WeakPolarHBondContact O-CE1 3.44Å
76	A	80	Confident	81.1	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-45.3	175.8	0	0	0	0	0	112.2	P72 L73 V78 T79 I80 F243 L273 C277	P72-A76 VanDerWaalsContact O-CB 3.28Å; P72-A76 WeakPolarHBondContact O-CB 3.23Å; P72-A76 PolarHBondContact O-N 2.9Å; L73-A76 PolarHBondContact O-N 3.16Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 3.22Å; A76-T79 PolarHBondContact O-N 3.44Å; A76-I80 WeakPolarHBondContact O-CB 3.43Å; A76-I80 VanDerWaalsContact O-CD1 3.32Å; A76-I80 WeakPolarHBondContact O-CD1 3.47Å; A76-I80 WeakPolarHBondContact O-CG1 3.19Å; A76-I80 PolarHBondContact O-N 2.83Å; A76-F243 HydrophobicContact CB-CZ 3.75Å; A76-L273 HydrophobicContact CB-CD1 3.6Å; A76-L273 HydrophobicContact CB-CD2 4.33Å; A76-L273 HydrophobicContact CB-CG 4.06Å; A76-C277 WeakPolarHBondContact CB-SG 3.41Å
77	F	81.4	Confident	79.3	Confident	1 Å²	1	24.7 Å²	24.7	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-54.7	-48.1	176.6	176.1	-107.4	0	0	0	111.8	L73 T74 I80 G81 L161 F243 L246 L247 L254 F258 W264	L73-F77 WeakPolarHBondContact O-CB 3.48Å; L73-F77 PolarHBondContact O-N 3.26Å; T74-F77 PolarHBondContact O-N 3.3Å; F77-I80 PolarHBondContact O-N 3.46Å; F77-G81 PolarHBondContact O-N 3.43Å; F77-L161 HydrophobicContact CD1-CD1 4.28Å; F77-F243 HydrophobicContact CB-CD1 4.27Å; F77-F243 HydrophobicContact CB-CE1 4.06Å; F77-F243 HydrophobicContact CD2-CD1 4.45Å; F77-L246 HydrophobicContact CB-CD1 3.96Å; F77-L246 HydrophobicContact CD1-CB 4.42Å; F77-L246 HydrophobicContact CD1-CD1 4.26Å; F77-L246 HydrophobicContact CD1-CD2 4.46Å; F77-L246 HydrophobicContact CD2-CB 3.96Å; F77-L246 HydrophobicContact CD2-CD1 4.17Å; F77-L246 HydrophobicContact CE1-CB 4.26Å; F77-L246 HydrophobicContact CE2-CB 3.8Å; F77-L246 HydrophobicContact CG-CB 4.27Å; F77-L246 HydrophobicContact CG-CD1 3.88Å; F77-L246 HydrophobicContact CZ-CB 3.96Å; F77-L247 HydrophobicContact CE2-CD2 4.04Å; F77-L254 HydrophobicContact CD1-CD1 4.05Å; F77-L254 HydrophobicContact CE1-CD1 3.48Å; F77-L254 VanDerWaalsContact CE1-CD1 3.48Å; F77-L254 HydrophobicContact CZ-CD1 4.26Å; F77-F258 HydrophobicContact CD2-CE2 4.1Å; F77-F258 AromaticContact CD2-CZ 3.74Å; F77-F258 HydrophobicContact CD2-CZ 3.74Å; F77-F258 HydrophobicContact CE1-CE2 4.33Å; F77-F258 HydrophobicContact CE2-CD2 4.27Å; F77-F258 HydrophobicContact CE2-CE1 4.3Å; F77-F258 AromaticContact CE2-CE2 3.49Å; F77-F258 HydrophobicContact CE2-CE2 3.49Å; F77-F258 VanDerWaalsContact CE2-CE2 3.49Å; F77-F258 AromaticContact CE2-CZ 3.51Å; F77-F258 HydrophobicContact CE2-CZ 3.51Å; F77-F258 HydrophobicContact CZ-CD2 4.29Å; F77-F258 AromaticContact CZ-CE2 3.63Å; F77-F258 HydrophobicContact CZ-CE2 3.63Å; F77-F258 HydrophobicContact CZ-CZ 4.13Å; F77-W264 HydrophobicContact CD2-CH2 4.31Å
78	V	84.6	Confident	77.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-45.3	178.1	173.5	0	0	0	0	111.1	I67 A69 T74 A76 I80 G81 T82 I116 F118 L161 L254	I67-V78 HydrophobicContact CG2-CG1 4.1Å; I67-V78 HydrophobicContact CG2-CG2 3.68Å; A69-V78 HydrophobicContact CB-CG2 4.13Å; T74-V78 WeakPolarHBondContact O-CG2 3.46Å; T74-V78 PolarHBondContact O-N 3.48Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 3.22Å; V78-I80 PolarHBondContact O-N 3.11Å; V78-G81 CarbonylContact O-C 3.49Å; V78-G81 PolarHBondContact O-N 3.32Å; V78-G81 VanDerWaalsContact O-N 3.17Å; V78-T82 HydrophobicContact CG1-CG2 4.39Å; V78-T82 WeakPolarHBondContact O-CB 3.22Å; V78-T82 PolarHBondContact O-N 3.4Å; V78-T82 PolarHBondContact O-OG1 3.38Å; V78-I116 HydrophobicContact CG1-CD1 4.06Å; V78-I116 HydrophobicContact CG1-CG2 3.65Å; V78-F118 HydrophobicContact CB-CE1 3.81Å; V78-F118 HydrophobicContact CB-CZ 4.14Å; V78-F118 HydrophobicContact CG1-CE1 3.88Å; V78-F118 HydrophobicContact CG1-CZ 3.78Å; V78-L161 HydrophobicContact CG2-CD1 3.51Å; V78-L254 HydrophobicContact CG1-CD2 4.44Å; V78-L254 HydrophobicContact CG2-CD1 4.26Å
79	T	81.1	Confident	75.4	Confident	28 Å²	28	36.4 Å²	36.4	17%	0.172	20%	0.2	C	C	.	.	H	α-helix	trans	-54	-41.7	177.6	-61.9	0	0	0	0	111.6	S75 A76 G83 I84 I85 F118 L273	S75-T79 WeakPolarHBondContact O-CB 3Å; S75-T79 PolarHBondContact O-N 2.98Å; S75-T79 PolarHBondContact O-OG1 3.15Å; A76-T79 PolarHBondContact O-N 3.44Å; T79-G83 WeakPolarHBondContact O-CA 3.36Å; T79-G83 PolarHBondContact O-N 3.35Å; T79-I84 HydrophobicContact CG2-CB 4.42Å; T79-I84 PolarHBondContact O-N 3.03Å; T79-I84 VanDerWaalsContact O-N 3.15Å; T79-I85 HydrophobicContact CG2-CG1 4.39Å; T79-F118 WeakPolarHBondContact OG1-CZ 3.37Å; T79-L273 HydrophobicContact CG2-CD2 4.41Å
80	I	76.1	Confident	73.8	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-50.9	178.2	-69	164	0	0	0	110.6	A76 F77 V78 T82 G83 F243 F258 W264 L268 L269 L273	A76-I80 WeakPolarHBondContact O-CB 3.43Å; A76-I80 VanDerWaalsContact O-CD1 3.32Å; A76-I80 WeakPolarHBondContact O-CD1 3.47Å; A76-I80 WeakPolarHBondContact O-CG1 3.19Å; A76-I80 PolarHBondContact O-N 2.83Å; F77-I80 PolarHBondContact O-N 3.46Å; V78-I80 PolarHBondContact O-N 3.11Å; I80-T82 PolarHBondContact O-N 3.31Å; I80-G83 PolarHBondContact O-N 2.94Å; I80-F243 HydrophobicContact CD1-CD2 4.49Å; I80-F243 HydrophobicContact CD1-CE2 3.71Å; I80-F243 HydrophobicContact CD1-CZ 4.38Å; I80-F258 HydrophobicContact CB-CZ 4.46Å; I80-F258 HydrophobicContact CG2-CE1 3.76Å; I80-F258 HydrophobicContact CG2-CZ 4.08Å; I80-W264 HydrophobicContact CB-CZ3 4.44Å; I80-W264 HydrophobicContact CD1-CE3 4.32Å; I80-W264 HydrophobicContact CD1-CZ3 3.69Å; I80-W264 HydrophobicContact CG2-CE3 4.49Å; I80-W264 HydrophobicContact CG2-CH2 4.41Å; I80-W264 HydrophobicContact CG2-CZ3 3.79Å; I80-L268 HydrophobicContact CG2-CB 3.78Å; I80-L268 HydrophobicContact CG2-CD1 3.84Å; I80-L268 HydrophobicContact CG2-CD2 3.86Å; I80-L268 HydrophobicContact CG2-CG 3.99Å; I80-L269 HydrophobicContact CD1-CD2 3.35Å; I80-L269 HydrophobicContact CD1-CG 4.29Å; I80-L269 HydrophobicContact CG1-CD2 4.12Å; I80-L273 HydrophobicContact CD1-CD2 4.05Å; I80-L273 HydrophobicContact CG1-CD2 3.87Å
81	G	75.2	Confident	72.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70	-8.8	-177.8	0	0	0	0	0	114.6	F77 V78 H257 F258	F77-G81 PolarHBondContact O-N 3.43Å; V78-G81 CarbonylContact O-C 3.49Å; V78-G81 PolarHBondContact O-N 3.32Å; V78-G81 VanDerWaalsContact O-N 3.17Å; G81-H257 WeakPolarHBondContact O-CB 3.41Å; G81-H257 PolarHBondContact O-CD2 3.31Å; G81-H257 PolarHBondContact O-ND1 3.18Å; G81-F258 VanDerWaalsContact CA-CE2 3.42Å; G81-F258 VanDerWaalsContact CA-CZ 3.45Å
82	T	76.5	Confident	71.6	Confident	4 Å²	4	42.1 Å²	42.1	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-121.1	-1.8	175.4	52.5	0	0	0	0	113.2	V78 I80 I84 I116 I253 L254	V78-T82 HydrophobicContact CG1-CG2 4.39Å; V78-T82 WeakPolarHBondContact O-CB 3.22Å; V78-T82 PolarHBondContact O-N 3.4Å; V78-T82 PolarHBondContact O-OG1 3.38Å; I80-T82 PolarHBondContact O-N 3.31Å; T82-I84 VanDerWaalsContact C-N 3.32Å; T82-I84 PolarHBondContact O-N 3.45Å; T82-I84 WeakPolarHBondContact OG1-CD1 3.46Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.45Å; T82-I116 HydrophobicContact CG2-CD1 3.64Å; T82-I253 HydrophobicContact CG2-CG2 4.3Å; T82-L254 HydrophobicContact CG2-CD2 3.46Å; T82-L254 VanDerWaalsContact CG2-CD2 3.46Å
83	G	73.9	Confident	71.4	Confident	49 Å²	49	42.7 Å²	42.7	51%	0.505	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	32.5	178.5	0	0	0	0	0	114.9	T79 I80 I85	T79-G83 WeakPolarHBondContact O-CA 3.36Å; T79-G83 PolarHBondContact O-N 3.35Å; I80-G83 PolarHBondContact O-N 2.94Å; G83-I85 PolarHBondContact O-N 3.41Å
84	I	71.9	Confident	70.8	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.232	C	C	.	.			trans	-68.1	19.8	-172.7	-65.5	164.4	0	0	0	114.2	T79 T82 H86 Y106 I116 F118	T79-I84 HydrophobicContact CG2-CB 4.42Å; T79-I84 PolarHBondContact O-N 3.03Å; T79-I84 VanDerWaalsContact O-N 3.15Å; T82-I84 VanDerWaalsContact C-N 3.32Å; T82-I84 PolarHBondContact O-N 3.45Å; T82-I84 WeakPolarHBondContact OG1-CD1 3.46Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.45Å; I84-H86 PolarHBondContact O-N 3Å; I84-Y106 HydrophobicContact CD1-CD2 4.36Å; I84-Y106 HydrophobicContact CD1-CG 4.44Å; I84-Y106 HydrophobicContact CG2-CD1 3.54Å; I84-Y106 HydrophobicContact CG2-CD2 3.84Å; I84-Y106 HydrophobicContact CG2-CE1 3.35Å; I84-Y106 HydrophobicContact CG2-CE2 3.7Å; I84-Y106 HydrophobicContact CG2-CG 3.72Å; I84-Y106 VanDerWaalsContact CG2-CZ 3.43Å; I84-I116 HydrophobicContact CD1-CB 4.46Å; I84-I116 HydrophobicContact CD1-CD1 3.55Å; I84-I116 HydrophobicContact CD1-CG2 4.23Å; I84-F118 HydrophobicContact CD1-CE2 3.89Å; I84-F118 HydrophobicContact CD1-CZ 3.9Å
85	I	66.3	Low	70.2	Confident	88 Å²	88	43.4 Å²	43.4	45%	0.451	24%	0.236	S	C	.	.	S	Bend	trans	-78.7	85.8	-178.3	-52.4	179.5	0	0	0	110.3	T79 G83 K87	T79-I85 HydrophobicContact CG2-CG1 4.39Å; G83-I85 PolarHBondContact O-N 3.41Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.01Å
86	H	56.4	Low	69.5	Low	106 Å²	106	43.3 Å²	43.3	49%	0.491	24%	0.235	S	C	.	.	S	Bend	trans	40.5	28.1	156.1	-71.9	-56.9	0	0	0	119.7	E46 I84 K93	E46-H86 IonicContact OE1-CE1 2.78Å; E46-H86 PolarHBondContact OE1-CE1 3.29Å; E46-H86 IonicContact OE1-ND1 3.22Å; E46-H86 PolarHBondContact OE1-ND1 3.43Å; E46-H86 IonicContact OE2-ND1 3.42Å; I84-H86 PolarHBondContact O-N 3Å; H86-K93 PolarHBondContact CE1-NZ 3.26Å
87	K	52.7	Low	69	Low	198 Å²	198	49.8 Å²	49.8	86%	0.861	26%	0.263	S	S	*	.			trans	-126.4	-5.7	-175.5	-72.9	-172.1	179.6	-176.9	0	116.7	I85	I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.01Å
88	S	54.7	Low	68.5	Low	60 Å²	60	51.6 Å²	51.6	42%	0.42	27%	0.271	S	S	.	.			trans	-105.2	125.6	-178.3	-175.4	0	0	0	0	112.5	S90 I91	S88-S90 PolarHBondContact O-N 3.49Å; S88-S90 PolarHBondContact OG-N 3.37Å; S88-S90 PolarHBondContact OG-OG 3.49Å; S88-I91 PolarHBondContact O-N 3.08Å
89	L	51.2	Low	67.8	Low	187 Å²	187	53.8 Å²	53.8	98%	0.979	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.2	173.4	-72.9	165.1	0	0	0	112.9	I91	L89-I91 VanDerWaalsContact C-N 3.26Å; L89-I91 PolarHBondContact O-N 3.24Å
90	S	59.2	Low	67.6	Low	37 Å²	37	56.9 Å²	56.9	26%	0.259	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.9	177.7	60	0	0	0	0	113.7	S88 D110	S88-S90 PolarHBondContact O-N 3.49Å; S88-S90 PolarHBondContact OG-N 3.37Å; S88-S90 PolarHBondContact OG-OG 3.49Å; S90-D110 WeakPolarHBondContact CB-OD2 3.38Å; S90-D110 PolarHBondContact OG-OD2 2.99Å
91	I	61.4	Low	67.7	Low	34 Å²	34	56.5 Å²	56.5	17%	0.174	31%	0.305	C	S	.	.			trans	-95.1	109.9	-176.4	-60.6	-178.7	0	0	0	109.4	S88 L89 K93 Y106 L108	S88-I91 PolarHBondContact O-N 3.08Å; L89-I91 VanDerWaalsContact C-N 3.26Å; L89-I91 PolarHBondContact O-N 3.24Å; I91-K93 PolarHBondContact O-N 2.89Å; I91-Y106 HydrophobicContact CG2-CD1 3.35Å; I91-Y106 HydrophobicContact CG2-CE1 4.19Å; I91-Y106 HydrophobicContact CG2-CG 4.16Å; I91-L108 HydrophobicContact CB-CD2 4.38Å; I91-L108 HydrophobicContact CD1-CD2 3.94Å; I91-L108 HydrophobicContact CG1-CD2 3.57Å; I91-L108 HydrophobicContact CG2-CD2 4.2Å
92	I	67.8	Low	68	Low	53 Å²	53	59.4 Å²	59.4	27%	0.272	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	105.4	169.6	-58.5	173.7	0	0	0	107.9	I56 D59 Y60 V94 Y106 Y107	I56-I92 HydrophobicContact CG2-CG2 3.86Å; D59-I92 HydrophobicContact CB-CD1 4.18Å; Y60-I92 HydrophobicContact CE1-CB 4.4Å; Y60-I92 HydrophobicContact CE1-CD1 4.23Å; Y60-I92 HydrophobicContact CE1-CG2 4.38Å; I92-V94 HydrophobicContact CG2-CG2 4.12Å; I92-Y106 WeakPolarHBondContact O-CA 3.49Å; I92-Y107 PolarHBondContact O-N 2.96Å
93	K	74.3	Confident	68.5	Low	33 Å²	33	59.2 Å²	59.2	14%	0.143	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.1	171.5	-177.9	180	159.9	-160.6	0	110.9	E46 H86 I91 S95 S105 Y106	E46-K93 HydrophobicContact CG-CB 4.24Å; E46-K93 HydrophobicContact CG-CD 3.65Å; E46-K93 HydrophobicContact CG-CG 4.4Å; H86-K93 PolarHBondContact CE1-NZ 3.26Å; I91-K93 PolarHBondContact O-N 2.89Å; K93-S95 WeakPolarHBondContact CE-OG 3.37Å; K93-S105 CarbonylContact C-O 3.53Å; K93-S105 VanDerWaalsContact CA-O 3.26Å; K93-S105 WeakPolarHBondContact CA-O 3.28Å; K93-Y106 HydrophobicContact CB-CD1 3.82Å; K93-Y106 HydrophobicContact CB-CE1 3.61Å; K93-Y106 HydrophobicContact CD-CE1 3.54Å; K93-Y106 HydrophobicContact CG-CD1 4.03Å; K93-Y106 HydrophobicContact CG-CE1 3.46Å; K93-Y106 VanDerWaalsContact CG-CE1 3.46Å
94	V	70.1	Confident	69.1	Low	2 Å²	2	59.8 Å²	59.8	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.1	170.8	-166.3	0	0	0	0	108.5	F43 L51 I56 I92 K104 S105	F43-V94 HydrophobicContact CB-CG1 3.9Å; F43-V94 HydrophobicContact CD1-CG1 3.38Å; F43-V94 HydrophobicContact CE1-CG1 4.22Å; F43-V94 HydrophobicContact CG-CG1 4.05Å; L51-V94 HydrophobicContact CD1-CB 4.43Å; L51-V94 HydrophobicContact CD1-CG1 3.91Å; L51-V94 HydrophobicContact CD1-CG2 4.43Å; I56-V94 HydrophobicContact CD1-CG2 4.17Å; I56-V94 HydrophobicContact CG2-CG2 3.64Å; I92-V94 HydrophobicContact CG2-CG2 4.12Å; V94-K104 CarbonylContact O-C 3.51Å; V94-K104 VanDerWaalsContact O-CA 3.28Å; V94-K104 WeakPolarHBondContact O-CA 3.5Å; V94-S105 WeakPolarHBondContact CB-OG 3.46Å; V94-S105 PolarHBondContact N-O 3.31Å; V94-S105 PolarHBondContact O-N 3.21Å
95	S	74.3	Confident	69.9	Low	13 Å²	13	59.7 Å²	59.7	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.8	169.8	-45.4	0	0	0	0	109	F43 I44 K93 F103	F43-S95 CarbonylContact C-O 3.56Å; F43-S95 WeakPolarHBondContact CA-O 3.28Å; I44-S95 PolarHBondContact N-O 2.88Å; I44-S95 PolarHBondContact O-N 2.88Å; K93-S95 WeakPolarHBondContact CE-OG 3.37Å; S95-F103 CarbonylContact C-O 3.59Å; S95-F103 VanDerWaalsContact CA-O 3.25Å; S95-F103 WeakPolarHBondContact CA-O 3.13Å
96	Y	70.7	Confident	70.9	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.8	172.5	171	-61.9	0	0	0	108.2	P41 L42 F43 K98 V102 F103 I133	P41-Y96 HydrophobicContact CB-CD2 3.73Å; P41-Y96 HydrophobicContact CB-CE2 3.15Å; P41-Y96 HydrophobicContact CG-CD2 4.41Å; P41-Y96 HydrophobicContact CG-CE2 3.48Å; P41-Y96 VanDerWaalsContact CG-CE2 3.48Å; L42-Y96 WeakPolarHBondContact O-CA 3.33Å; F43-Y96 HydrophobicContact CD1-CD2 4.05Å; F43-Y96 AromaticContact CE1-CD2 3.59Å; F43-Y96 HydrophobicContact CE1-CD2 3.59Å; F43-Y96 HydrophobicContact CE1-CG 4.32Å; F43-Y96 HydrophobicContact CE2-CD2 4.29Å; F43-Y96 AromaticContact CZ-CD2 3.77Å; F43-Y96 HydrophobicContact CZ-CD2 3.77Å; F43-Y96 HydrophobicContact CZ-CE2 4.37Å; Y96-K98 HydrophobicContact CD1-CB 4.4Å; Y96-K98 HydrophobicContact CE1-CB 3.35Å; Y96-K98 WeakPolarHBondContact OH-CB 3.37Å; Y96-K98 WeakPolarHBondContact OH-CD 3.45Å; Y96-V102 VanDerWaalsContact O-CA 3.23Å; Y96-V102 WeakPolarHBondContact O-CA 3.36Å; Y96-F103 AromaticContact CD1-CD2 3.24Å; Y96-F103 HydrophobicContact CD1-CD2 3.24Å; Y96-F103 AromaticContact CD1-CE2 3.38Å; Y96-F103 HydrophobicContact CD1-CE2 3.38Å; Y96-F103 HydrophobicContact CD2-CD2 4.32Å; Y96-F103 HydrophobicContact CD2-CE2 4.46Å; Y96-F103 HydrophobicContact CE1-CD2 4.03Å; Y96-F103 AromaticContact CE1-CE2 3.66Å; Y96-F103 HydrophobicContact CE1-CE2 3.66Å; Y96-F103 AromaticContact CG-CD2 3.5Å; Y96-F103 HydrophobicContact CG-CD2 3.5Å; Y96-F103 VanDerWaalsContact CG-CD2 3.5Å; Y96-F103 AromaticContact CG-CE2 3.91Å; Y96-F103 HydrophobicContact CG-CE2 3.91Å; Y96-F103 PolarHBondContact N-O 2.75Å; Y96-F103 PolarHBondContact O-N 3.38Å; Y96-I133 HydrophobicContact CD1-CG2 4.47Å; Y96-I133 HydrophobicContact CE1-CG2 3.5Å; Y96-I133 VanDerWaalsContact CE1-CG2 3.5Å; Y96-I133 HydrophobicContact CE2-CG2 3.99Å; Y96-I133 WeakPolarHBondContact OH-CG1 3.34Å; Y96-I133 WeakPolarHBondContact OH-CG2 3.4Å
97	K	68.4	Low	72.3	Confident	138 Å²	138	51.5 Å²	51.5	60%	0.6	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	114.7	174.7	-176.3	177.6	-178.9	-174.4	0	110.9	L42 V102	L42-K97 PolarHBondContact O-N 2.91Å; K97-V102 HydrophobicContact CG-CG2 4.17Å
98	K	71.6	Confident	73.7	Confident	38 Å²	38	42.1 Å²	42.1	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	143.1	169.8	-163.1	177.4	178.9	-169.8	0	110	N39 Y96 S100 L101 E129 I133	N39-K98 PolarHBondContact O-NZ 3.5Å; N39-K98 PolarHBondContact OD1-NZ 3.03Å; Y96-K98 HydrophobicContact CD1-CB 4.4Å; Y96-K98 HydrophobicContact CE1-CB 3.35Å; Y96-K98 WeakPolarHBondContact OH-CB 3.37Å; Y96-K98 WeakPolarHBondContact OH-CD 3.45Å; K98-S100 VanDerWaalsContact C-N 3.34Å; K98-S100 PolarHBondContact O-N 3.29Å; K98-S100 VanDerWaalsContact O-N 3.16Å; K98-L101 PolarHBondContact N-O 3.33Å; K98-L101 VanDerWaalsContact N-O 3.13Å; K98-L101 WeakPolarHBondContact O-CA 3.31Å; K98-L101 WeakPolarHBondContact O-CB 3.29Å; K98-L101 PolarHBondContact O-N 2.95Å; K98-L101 VanDerWaalsContact O-O 3.05Å; K98-E129 IonicContact NZ-OE1 3.54Å; K98-I133 HydrophobicContact CB-CD1 4.06Å; K98-I133 HydrophobicContact CD-CD1 3.85Å; K98-I133 HydrophobicContact CD-CG1 4.34Å; K98-I133 HydrophobicContact CG-CD1 4.04Å
99	T	70.8	Confident	75	Confident	47 Å²	47	41.5 Å²	41.5	29%	0.288	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	53.1	172.6	63.7	0	0	0	0	113.5	L101 E129 H130 I133	T99-L101 PolarHBondContact O-N 3.32Å; T99-E129 HydrophobicContact CG2-CG 4.44Å; T99-E129 VanDerWaalsContact CG2-OE1 3.23Å; T99-E129 WeakPolarHBondContact CG2-OE1 2.98Å; T99-E129 WeakPolarHBondContact CG2-OE2 3.16Å; T99-H130 PolarHBondContact O-CD2 2.72Å; T99-H130 PolarHBondContact O-NE2 2.99Å; T99-I133 HydrophobicContact CG2-CD1 4.39Å; T99-I133 WeakPolarHBondContact OG1-CD1 3.47Å
100	S	75.4	Confident	76.4	Confident	93 Å²	93	38.2 Å²	38.2	65%	0.65	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	-5	-175.7	78.8	0	0	0	0	117.4	K98 H130	K98-S100 VanDerWaalsContact C-N 3.34Å; K98-S100 PolarHBondContact O-N 3.29Å; K98-S100 VanDerWaalsContact O-N 3.16Å; S100-H130 PolarHBondContact OG-NE2 3.25Å
101	L	78.9	Confident	77.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.5	176.4	-176.2	59.4	0	0	0	110.2	K98 T99 F103 I119 P123 H130 I133 L205	K98-L101 PolarHBondContact N-O 3.33Å; K98-L101 VanDerWaalsContact N-O 3.13Å; K98-L101 WeakPolarHBondContact O-CA 3.31Å; K98-L101 WeakPolarHBondContact O-CB 3.29Å; K98-L101 PolarHBondContact O-N 2.95Å; K98-L101 VanDerWaalsContact O-O 3.05Å; T99-L101 PolarHBondContact O-N 3.32Å; L101-F103 HydrophobicContact CB-CE2 4.48Å; L101-F103 HydrophobicContact CD1-CE1 4.12Å; L101-F103 HydrophobicContact CD1-CE2 4.45Å; L101-F103 HydrophobicContact CD1-CZ 4Å; L101-F103 HydrophobicContact CD2-CE1 3.98Å; L101-F103 HydrophobicContact CD2-CE2 3.68Å; L101-F103 HydrophobicContact CD2-CZ 3.16Å; L101-F103 HydrophobicContact CG-CD2 4.28Å; L101-F103 HydrophobicContact CG-CE1 3.97Å; L101-F103 HydrophobicContact CG-CE2 3.51Å; L101-F103 HydrophobicContact CG-CZ 3.35Å; L101-I119 HydrophobicContact CD1-CG2 3.76Å; L101-P123 HydrophobicContact CB-CG 4.21Å; L101-P123 HydrophobicContact CD1-CG 4.09Å; L101-H130 HydrophobicContact CD2-CB 4.04Å; L101-H130 WeakPolarHBondContact CD2-O 3.48Å; L101-I133 HydrophobicContact CD2-CG2 4.05Å; L101-L205 HydrophobicContact CD1-CD1 3.84Å; L101-L205 HydrophobicContact CD2-CD2 4.5Å
102	V	82.7	Confident	78.4	Confident	61 Å²	61	42.1 Å²	42.1	37%	0.37	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.2	-180	-177.9	0	0	0	0	109.4	Y96 K97	Y96-V102 VanDerWaalsContact O-CA 3.23Å; Y96-V102 WeakPolarHBondContact O-CA 3.36Å; K97-V102 HydrophobicContact CG-CG2 4.17Å
103	F	85.5	Confident	79.2	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.1	172.4	-44.7	-98.4	0	0	0	109.6	S95 Y96 L101 F118 I119 I133 L134	S95-F103 CarbonylContact C-O 3.59Å; S95-F103 VanDerWaalsContact CA-O 3.25Å; S95-F103 WeakPolarHBondContact CA-O 3.13Å; Y96-F103 AromaticContact CD1-CD2 3.24Å; Y96-F103 HydrophobicContact CD1-CD2 3.24Å; Y96-F103 AromaticContact CD1-CE2 3.38Å; Y96-F103 HydrophobicContact CD1-CE2 3.38Å; Y96-F103 HydrophobicContact CD2-CD2 4.32Å; Y96-F103 HydrophobicContact CD2-CE2 4.46Å; Y96-F103 HydrophobicContact CE1-CD2 4.03Å; Y96-F103 AromaticContact CE1-CE2 3.66Å; Y96-F103 HydrophobicContact CE1-CE2 3.66Å; Y96-F103 AromaticContact CG-CD2 3.5Å; Y96-F103 HydrophobicContact CG-CD2 3.5Å; Y96-F103 VanDerWaalsContact CG-CD2 3.5Å; Y96-F103 AromaticContact CG-CE2 3.91Å; Y96-F103 HydrophobicContact CG-CE2 3.91Å; Y96-F103 PolarHBondContact N-O 2.75Å; Y96-F103 PolarHBondContact O-N 3.38Å; L101-F103 HydrophobicContact CB-CE2 4.48Å; L101-F103 HydrophobicContact CD1-CE1 4.12Å; L101-F103 HydrophobicContact CD1-CE2 4.45Å; L101-F103 HydrophobicContact CD1-CZ 4Å; L101-F103 HydrophobicContact CD2-CE1 3.98Å; L101-F103 HydrophobicContact CD2-CE2 3.68Å; L101-F103 HydrophobicContact CD2-CZ 3.16Å; L101-F103 HydrophobicContact CG-CD2 4.28Å; L101-F103 HydrophobicContact CG-CE1 3.97Å; L101-F103 HydrophobicContact CG-CE2 3.51Å; L101-F103 HydrophobicContact CG-CZ 3.35Å; F103-F118 CarbonylContact C-O 3.53Å; F103-F118 VanDerWaalsContact CA-O 3.26Å; F103-F118 WeakPolarHBondContact CA-O 3.46Å; F103-I119 HydrophobicContact CD1-CD1 3.61Å; F103-I119 HydrophobicContact CD1-CG1 3.49Å; F103-I119 VanDerWaalsContact CD1-CG1 3.49Å; F103-I119 HydrophobicContact CE1-CD1 3.43Å; F103-I119 VanDerWaalsContact CE1-CD1 3.43Å; F103-I119 HydrophobicContact CE1-CG1 3.85Å; F103-I133 HydrophobicContact CE2-CG2 3.64Å; F103-I133 HydrophobicContact CZ-CG2 3.87Å; F103-L134 HydrophobicContact CD1-CD1 4.48Å; F103-L134 HydrophobicContact CE1-CB 4.44Å; F103-L134 HydrophobicContact CE1-CD1 3.68Å; F103-L134 HydrophobicContact CZ-CB 4.29Å; F103-L134 HydrophobicContact CZ-CD1 4.25Å
104	K	86.8	Confident	79.8	Confident	61 Å²	61	40.2 Å²	40.2	27%	0.265	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.3	161.1	-61.8	167.4	-171	156.8	0	107.4	V94 Y106 I117 F118 E120	V94-K104 CarbonylContact O-C 3.51Å; V94-K104 VanDerWaalsContact O-CA 3.28Å; V94-K104 WeakPolarHBondContact O-CA 3.5Å; K104-Y106 HydrophobicContact CB-CE2 3.96Å; K104-I117 CarbonylContact O-C 3.53Å; K104-I117 WeakPolarHBondContact O-CA 3.25Å; K104-F118 HydrophobicContact CB-CB 4.29Å; K104-F118 HydrophobicContact CB-CD2 4.44Å; K104-F118 PolarHBondContact N-O 3.31Å; K104-F118 PolarHBondContact O-N 3.49Å; K104-E120 IonicContact NZ-OE2 2.76Å; K104-E120 PolarHBondContact NZ-OE2 3.23Å; K104-E120 VanDerWaalsContact NZ-OE2 3.08Å
105	S	88.6	Confident	80.7	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.3	172.1	59.2	0	0	0	0	111.7	K93 V94 I116 Y137	K93-S105 CarbonylContact C-O 3.53Å; K93-S105 VanDerWaalsContact CA-O 3.26Å; K93-S105 WeakPolarHBondContact CA-O 3.28Å; V94-S105 WeakPolarHBondContact CB-OG 3.46Å; V94-S105 PolarHBondContact N-O 3.31Å; V94-S105 PolarHBondContact O-N 3.21Å; S105-I116 CarbonylContact C-O 3.58Å; S105-I116 WeakPolarHBondContact CA-O 3.26Å; S105-Y137 WeakPolarHBondContact CB-OH 3.47Å; S105-Y137 PolarHBondContact OG-OH 3.08Å
106	Y	86.7	Confident	81.6	Confident	14 Å²	14	39.5 Å²	39.5	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.3	-179.1	-61.2	-85.2	0	0	0	107.7	I84 I91 I92 K93 K104 I116 F118	I84-Y106 HydrophobicContact CD1-CD2 4.36Å; I84-Y106 HydrophobicContact CD1-CG 4.44Å; I84-Y106 HydrophobicContact CG2-CD1 3.54Å; I84-Y106 HydrophobicContact CG2-CD2 3.84Å; I84-Y106 HydrophobicContact CG2-CE1 3.35Å; I84-Y106 HydrophobicContact CG2-CE2 3.7Å; I84-Y106 HydrophobicContact CG2-CG 3.72Å; I84-Y106 VanDerWaalsContact CG2-CZ 3.43Å; I91-Y106 HydrophobicContact CG2-CD1 3.35Å; I91-Y106 HydrophobicContact CG2-CE1 4.19Å; I91-Y106 HydrophobicContact CG2-CG 4.16Å; I92-Y106 WeakPolarHBondContact O-CA 3.49Å; K93-Y106 HydrophobicContact CB-CD1 3.82Å; K93-Y106 HydrophobicContact CB-CE1 3.61Å; K93-Y106 HydrophobicContact CD-CE1 3.54Å; K93-Y106 HydrophobicContact CG-CD1 4.03Å; K93-Y106 HydrophobicContact CG-CE1 3.46Å; K93-Y106 VanDerWaalsContact CG-CE1 3.46Å; K104-Y106 HydrophobicContact CB-CE2 3.96Å; Y106-I116 PolarHBondContact N-O 3.36Å; Y106-I116 PolarHBondContact O-N 3.29Å; Y106-F118 AromaticContact CD2-CD2 3.47Å; Y106-F118 HydrophobicContact CD2-CD2 3.47Å; Y106-F118 VanDerWaalsContact CD2-CD2 3.47Å; Y106-F118 AromaticContact CD2-CE2 3.3Å; Y106-F118 HydrophobicContact CD2-CE2 3.3Å; Y106-F118 AromaticContact CE2-CD2 3.33Å; Y106-F118 HydrophobicContact CE2-CD2 3.33Å; Y106-F118 AromaticContact CE2-CE2 3.32Å; Y106-F118 HydrophobicContact CE2-CE2 3.32Å; Y106-F118 HydrophobicContact CG-CE2 4.5Å
107	Y	86.2	Confident	82.6	Confident	9 Å²	9	39.4 Å²	39.4	4%	0.035	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.8	171.7	-177.5	-125.2	0	0	0	109.9	Y60 T62 I63 I92 P109 N113	Y60-Y107 AromaticContact CD1-CD1 3.64Å; Y60-Y107 HydrophobicContact CD1-CD1 3.64Å; Y60-Y107 HydrophobicContact CD1-CD2 4.29Å; Y60-Y107 HydrophobicContact CD1-CE1 4.25Å; Y60-Y107 AromaticContact CD1-CG 3.66Å; Y60-Y107 HydrophobicContact CD1-CG 3.66Å; Y60-Y107 AromaticContact CE1-CD1 3.86Å; Y60-Y107 HydrophobicContact CE1-CD1 3.86Å; Y60-Y107 AromaticContact CE1-CG 3.68Å; Y60-Y107 HydrophobicContact CE1-CG 3.68Å; Y60-Y107 HydrophobicContact CG-CG 4.43Å; T62-Y107 PolarHBondContact OG1-OH 2.94Å; T62-Y107 VanDerWaalsContact OG1-OH 3.07Å; I63-Y107 HydrophobicContact CG1-CD2 4.44Å; I63-Y107 HydrophobicContact CG1-CE2 3.98Å; I92-Y107 PolarHBondContact O-N 2.96Å; Y107-P109 HydrophobicContact CE1-CB 4.06Å; Y107-P109 HydrophobicContact CE1-CG 4.41Å; Y107-P109 WeakPolarHBondContact O-CD 3.34Å; Y107-N113 HydrophobicContact CE2-CB 4.33Å
108	L	83.4	Confident	83.7	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	80.8	-174.1	-57.7	-173	0	0	0	109.2	I91 D110 Y111 T114 I116	I91-L108 HydrophobicContact CB-CD2 4.38Å; I91-L108 HydrophobicContact CD1-CD2 3.94Å; I91-L108 HydrophobicContact CG1-CD2 3.57Å; I91-L108 HydrophobicContact CG2-CD2 4.2Å; L108-D110 PolarHBondContact O-N 3Å; L108-Y111 HydrophobicContact CB-CD2 3.85Å; L108-Y111 HydrophobicContact CB-CG 4.25Å; L108-Y111 HydrophobicContact CD1-CD2 4.07Å; L108-Y111 HydrophobicContact CD1-CG 4.24Å; L108-Y111 HydrophobicContact CG-CD2 4.4Å; L108-Y111 PolarHBondContact O-N 2.75Å; L108-Y111 VanDerWaalsContact O-N 3.14Å; L108-T114 WeakPolarHBondContact CB-O 3.49Å; L108-T114 PolarHBondContact N-O 3.34Å; L108-T114 PolarHBondContact O-N 2.83Å; L108-T114 VanDerWaalsContact O-N 3.07Å; L108-I116 HydrophobicContact CD1-CD1 3.47Å; L108-I116 VanDerWaalsContact CD1-CD1 3.47Å; L108-I116 HydrophobicContact CD1-CG1 4.35Å; L108-I116 HydrophobicContact CG-CD1 4.31Å
109	P	81.4	Confident	84.5	Confident	47 Å²	47	31.3 Å²	31.3	31%	0.305	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-36.6	179.5	24.3	-33	0	0	0	111.8	Y107 Y111 N113	Y107-P109 HydrophobicContact CE1-CB 4.06Å; Y107-P109 HydrophobicContact CE1-CG 4.41Å; Y107-P109 WeakPolarHBondContact O-CD 3.34Å; P109-Y111 PolarHBondContact O-N 3.26Å; P109-N113 PolarHBondContact O-N 3.47Å
110	D	80.5	Confident	85	Confident	117 Å²	117	30.7 Å²	30.7	63%	0.626	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.6	179.8	-55.5	-40.8	0	0	0	113.6	S90 L108	S90-D110 WeakPolarHBondContact CB-OD2 3.38Å; S90-D110 PolarHBondContact OG-OD2 2.99Å; L108-D110 PolarHBondContact O-N 3Å
111	Y	79.7	Confident	85.3	Confident	83 Å²	83	32 Å²	32	33%	0.325	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	68.5	179.7	-65	-95.1	0	0	0	109.3	L108 P109 N113 T114 H257	L108-Y111 HydrophobicContact CB-CD2 3.85Å; L108-Y111 HydrophobicContact CB-CG 4.25Å; L108-Y111 HydrophobicContact CD1-CD2 4.07Å; L108-Y111 HydrophobicContact CD1-CG 4.24Å; L108-Y111 HydrophobicContact CG-CD2 4.4Å; L108-Y111 PolarHBondContact O-N 2.75Å; L108-Y111 VanDerWaalsContact O-N 3.14Å; P109-Y111 PolarHBondContact O-N 3.26Å; Y111-N113 PolarHBondContact O-N 2.84Å; Y111-N113 VanDerWaalsContact O-N 3.07Å; Y111-T114 VanDerWaalsContact O-CB 3.22Å; Y111-T114 WeakPolarHBondContact O-CB 3.13Å; Y111-T114 PolarHBondContact O-N 3.19Å; Y111-T114 PolarHBondContact O-OG1 3.03Å; Y111-H257 AromaticContact CE1-CE1 3.49Å; Y111-H257 VanDerWaalsContact CE1-CE1 3.49Å; Y111-H257 WeakPolarHBondContact CE1-CE1 3.38Å; Y111-H257 AromaticContact CE1-NE2 3.55Å
112	D	82.4	Confident	85.2	Confident	70 Å²	70	34.7 Å²	34.7	37%	0.374	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	27	176.4	-60.9	-47.9	0	0	0	114.3	S64 H65 K256	S64-D112 VanDerWaalsContact CB-O 3.25Å; S64-D112 WeakPolarHBondContact CB-O 3.13Å; S64-D112 PolarHBondContact OG-O 3.19Å; H65-D112 PolarHBondContact CD2-O 2.82Å; D112-K256 IonicContact OD2-NZ 3.17Å; D112-K256 PolarHBondContact OD2-NZ 3.02Å
113	N	84.2	Confident	84.9	Confident	46 Å²	46	32.5 Å²	32.5	25%	0.246	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	53.6	-170	-48.7	-63.9	0	0	0	113.1	T62 I63 S64 H65 Y107 P109 Y111	T62-N113 WeakPolarHBondContact O-CB 3.23Å; T62-N113 PolarHBondContact O-ND2 3.21Å; T62-N113 PolarHBondContact OG1-OD1 3.07Å; I63-N113 WeakPolarHBondContact CA-O 3.26Å; S64-N113 PolarHBondContact N-O 2.82Å; S64-N113 PolarHBondContact OG-ND2 3.36Å; H65-N113 PolarHBondContact N-O 3.18Å; Y107-N113 HydrophobicContact CE2-CB 4.33Å; P109-N113 PolarHBondContact O-N 3.47Å; Y111-N113 PolarHBondContact O-N 2.84Å; Y111-N113 VanDerWaalsContact O-N 3.07Å
114	T	87.4	Confident	84.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.1	-179.1	-61.2	0	0	0	0	111.5	H65 I67 L108 Y111 I116 I253	H65-T114 HydrophobicContact CB-CG2 4.22Å; H65-T114 CarbonylContact O-C 3.53Å; H65-T114 WeakPolarHBondContact O-CA 3.2Å; I67-T114 HydrophobicContact CD1-CG2 4.23Å; I67-T114 HydrophobicContact CG1-CG2 4.22Å; L108-T114 WeakPolarHBondContact CB-O 3.49Å; L108-T114 PolarHBondContact N-O 3.34Å; L108-T114 PolarHBondContact O-N 2.83Å; L108-T114 VanDerWaalsContact O-N 3.07Å; Y111-T114 VanDerWaalsContact O-CB 3.22Å; Y111-T114 WeakPolarHBondContact O-CB 3.13Å; Y111-T114 PolarHBondContact O-N 3.19Å; Y111-T114 PolarHBondContact O-OG1 3.03Å; T114-I116 HydrophobicContact CG2-CD1 4.33Å; T114-I116 HydrophobicContact CG2-CG1 3.82Å; T114-I253 HydrophobicContact CG2-CD1 3.92Å; T114-I253 WeakPolarHBondContact OG1-CD1 3.46Å
115	L	90.2	Very high	83.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125	166	-179.9	67.3	0	0	0	110	Y60 I63 H65 V66 I67 I117 V141 F142	Y60-L115 HydrophobicContact CD2-CD1 4.34Å; Y60-L115 HydrophobicContact CE2-CD1 3.82Å; I63-L115 HydrophobicContact CD1-CB 4.35Å; I63-L115 HydrophobicContact CD1-CD2 3.93Å; I63-L115 HydrophobicContact CG1-CB 4.38Å; I63-L115 HydrophobicContact CG2-CB 3.98Å; H65-L115 PolarHBondContact O-N 3.08Å; V66-L115 CarbonylContact C-O 3.58Å; V66-L115 VanDerWaalsContact CA-O 3.31Å; V66-L115 WeakPolarHBondContact CA-O 3.43Å; I67-L115 PolarHBondContact N-O 3.49Å; L115-I117 HydrophobicContact CD2-CD1 3.92Å; L115-I117 HydrophobicContact CD2-CG1 4.18Å; L115-I117 HydrophobicContact CG-CD1 4.3Å; L115-I117 HydrophobicContact CG-CG1 4.07Å; L115-V141 HydrophobicContact CD2-CG1 3.37Å; L115-F142 HydrophobicContact CD2-CZ 4.48Å
116	I	91.2	Very high	83	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.2	176.2	-58.6	176	0	0	0	108.4	I67 V78 T82 I84 S105 Y106 L108 T114 F118	I67-I116 HydrophobicContact CB-CG1 4.25Å; I67-I116 HydrophobicContact CD1-CG1 4.49Å; I67-I116 CarbonylContact O-C 3.49Å; I67-I116 WeakPolarHBondContact O-CA 3.43Å; V78-I116 HydrophobicContact CG1-CD1 4.06Å; V78-I116 HydrophobicContact CG1-CG2 3.65Å; T82-I116 HydrophobicContact CG2-CD1 3.64Å; I84-I116 HydrophobicContact CD1-CB 4.46Å; I84-I116 HydrophobicContact CD1-CD1 3.55Å; I84-I116 HydrophobicContact CD1-CG2 4.23Å; S105-I116 CarbonylContact C-O 3.58Å; S105-I116 WeakPolarHBondContact CA-O 3.26Å; Y106-I116 PolarHBondContact N-O 3.36Å; Y106-I116 PolarHBondContact O-N 3.29Å; L108-I116 HydrophobicContact CD1-CD1 3.47Å; L108-I116 VanDerWaalsContact CD1-CD1 3.47Å; L108-I116 HydrophobicContact CD1-CG1 4.35Å; L108-I116 HydrophobicContact CG-CD1 4.31Å; T114-I116 HydrophobicContact CG2-CD1 4.33Å; T114-I116 HydrophobicContact CG2-CG1 3.82Å; I116-F118 HydrophobicContact CG2-CD2 4.02Å; I116-F118 HydrophobicContact CG2-CE1 3.97Å; I116-F118 HydrophobicContact CG2-CE2 3.44Å; I116-F118 VanDerWaalsContact CG2-CE2 3.44Å; I116-F118 HydrophobicContact CG2-CZ 3.42Å; I116-F118 VanDerWaalsContact CG2-CZ 3.42Å
117	I	92.4	Very high	82.6	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.4	180	-55.9	161	0	0	0	107.6	V66 I67 L68 A69 K104 L115 Y137 F138	V66-I117 HydrophobicContact CG1-CD1 4.27Å; I67-I117 PolarHBondContact O-N 2.83Å; L68-I117 CarbonylContact C-O 3.59Å; L68-I117 WeakPolarHBondContact CA-O 3.38Å; L68-I117 HydrophobicContact CD1-CB 3.67Å; L68-I117 HydrophobicContact CD1-CG2 3.54Å; A69-I117 PolarHBondContact N-O 3.49Å; K104-I117 CarbonylContact O-C 3.53Å; K104-I117 WeakPolarHBondContact O-CA 3.25Å; L115-I117 HydrophobicContact CD2-CD1 3.92Å; L115-I117 HydrophobicContact CD2-CG1 4.18Å; L115-I117 HydrophobicContact CG-CD1 4.3Å; L115-I117 HydrophobicContact CG-CG1 4.07Å; I117-Y137 HydrophobicContact CD1-CE1 3.83Å; I117-Y137 HydrophobicContact CG1-CE1 4.15Å; I117-Y137 HydrophobicContact CG2-CE1 4.17Å; I117-F138 HydrophobicContact CD1-CD1 4.32Å; I117-F138 HydrophobicContact CD1-CE1 3.86Å
118	F	91	Very high	82.2	Confident	7 Å²	7	58.9 Å²	58.9	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.1	179.2	-65.3	-70.3	0	0	0	110.8	A69 S75 V78 T79 I84 F103 K104 Y106 I116	A69-F118 HydrophobicContact CB-CD1 3.72Å; A69-F118 HydrophobicContact CB-CE1 3.97Å; A69-F118 WeakPolarHBondContact O-CA 3.02Å; S75-F118 WeakPolarHBondContact O-CE1 3.44Å; V78-F118 HydrophobicContact CB-CE1 3.81Å; V78-F118 HydrophobicContact CB-CZ 4.14Å; V78-F118 HydrophobicContact CG1-CE1 3.88Å; V78-F118 HydrophobicContact CG1-CZ 3.78Å; T79-F118 WeakPolarHBondContact OG1-CZ 3.37Å; I84-F118 HydrophobicContact CD1-CE2 3.89Å; I84-F118 HydrophobicContact CD1-CZ 3.9Å; F103-F118 CarbonylContact C-O 3.53Å; F103-F118 VanDerWaalsContact CA-O 3.26Å; F103-F118 WeakPolarHBondContact CA-O 3.46Å; K104-F118 HydrophobicContact CB-CB 4.29Å; K104-F118 HydrophobicContact CB-CD2 4.44Å; K104-F118 PolarHBondContact N-O 3.31Å; K104-F118 PolarHBondContact O-N 3.49Å; Y106-F118 AromaticContact CD2-CD2 3.47Å; Y106-F118 HydrophobicContact CD2-CD2 3.47Å; Y106-F118 VanDerWaalsContact CD2-CD2 3.47Å; Y106-F118 AromaticContact CD2-CE2 3.3Å; Y106-F118 HydrophobicContact CD2-CE2 3.3Å; Y106-F118 AromaticContact CE2-CD2 3.33Å; Y106-F118 HydrophobicContact CE2-CD2 3.33Å; Y106-F118 AromaticContact CE2-CE2 3.32Å; Y106-F118 HydrophobicContact CE2-CE2 3.32Å; Y106-F118 HydrophobicContact CG-CE2 4.5Å; I116-F118 HydrophobicContact CG2-CD2 4.02Å; I116-F118 HydrophobicContact CG2-CE1 3.97Å; I116-F118 HydrophobicContact CG2-CE2 3.44Å; I116-F118 VanDerWaalsContact CG2-CE2 3.44Å; I116-F118 HydrophobicContact CG2-CZ 3.42Å; I116-F118 VanDerWaalsContact CG2-CZ 3.42Å
119	I	89.9	Confident	82	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	81.4	165.4	-51.5	179.3	0	0	0	106	L68 A69 I70 G71 L101 F103 H121 L134 L205	L68-I119 HydrophobicContact CD1-CD1 4.26Å; L68-I119 HydrophobicContact CD1-CG1 4.42Å; A69-I119 PolarHBondContact O-N 2.96Å; I70-I119 HydrophobicContact CG1-CB 4.42Å; I70-I119 HydrophobicContact CG1-CD1 4.2Å; I70-I119 HydrophobicContact CG2-CB 4.43Å; G71-I119 PolarHBondContact N-O 3.49Å; L101-I119 HydrophobicContact CD1-CG2 3.76Å; F103-I119 HydrophobicContact CD1-CD1 3.61Å; F103-I119 HydrophobicContact CD1-CG1 3.49Å; F103-I119 VanDerWaalsContact CD1-CG1 3.49Å; F103-I119 HydrophobicContact CE1-CD1 3.43Å; F103-I119 VanDerWaalsContact CE1-CD1 3.43Å; F103-I119 HydrophobicContact CE1-CG1 3.85Å; I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 3.35Å; I119-L134 HydrophobicContact CD1-CD1 4.43Å; I119-L205 HydrophobicContact CD1-CD1 3.96Å; I119-L205 HydrophobicContact CG2-CD1 3.88Å
120	E	81.3	Confident	82	Confident	34 Å²	34	60.1 Å²	60.1	16%	0.159	28%	0.278	C	S	.	.			trans	-64.6	-35.3	-170.2	-174.4	164.4	-151.6	0	0	112.4	G71 P72 K104 M276	G71-E120 CarbonylContact C-O 3.57Å; P72-E120 WeakPolarHBondContact CD-O 3.25Å; K104-E120 IonicContact NZ-OE2 2.76Å; K104-E120 PolarHBondContact NZ-OE2 3.23Å; K104-E120 VanDerWaalsContact NZ-OE2 3.08Å; E120-M276 VanDerWaalsContact CD-CE 3.45Å; E120-M276 HydrophobicContact CG-CE 4.32Å; E120-M276 WeakPolarHBondContact OE1-CE 3.14Å
121	H	80.6	Confident	82.1	Confident	121 Å²	121	57.4 Å²	57.4	56%	0.56	26%	0.261	S	S	*	.	S	Bend	trans	-127.2	109.6	178	-58	-61.3	0	0	0	109.4	I119	I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 3.35Å
122	E	77.4	Confident	82.1	Confident	56 Å²	56	57.5 Å²	57.5	26%	0.262	26%	0.264	S	S	.	.			trans	-71.6	135	171.7	-176	165.4	-162.3	0	0	109.2	K124 R164 L205	E122-K124 PolarHBondContact O-N 3.4Å; E122-R164 IonicContact OE1-NH2 2.77Å; E122-R164 PolarHBondContact OE1-NH2 3.22Å; E122-R164 IonicContact OE2-CZ 2.67Å; E122-R164 IonicContact OE2-NH1 3.25Å; E122-R164 PolarHBondContact OE2-NH1 3.07Å; E122-R164 IonicContact OE2-NH2 3.08Å; E122-R164 PolarHBondContact OE2-NH2 3.11Å; E122-L205 HydrophobicContact CG-CD1 3.92Å; E122-L205 HydrophobicContact CG-CG 4.44Å; E122-L205 PolarHBondContact OE1-N 2.76Å
123	P	75.1	Confident	82.1	Confident	15 Å²	15	54.4 Å²	54.4	10%	0.097	25%	0.247	C	C	.	.			trans	-53.6	136.5	174.9	-26.9	34.8	0	0	0	111.3	L101 Y125	L101-P123 HydrophobicContact CB-CG 4.21Å; L101-P123 HydrophobicContact CD1-CG 4.09Å; P123-Y125 PolarHBondContact O-N 2.94Å
124	K	70.2	Confident	82.2	Confident	182 Å²	182	52.2 Å²	52.2	79%	0.791	24%	0.236	S	C	*	.	S	Bend	trans	-57.6	-34.5	177.7	-175.1	-179.3	177.1	-173.2	0	111.9	E122	E122-K124 PolarHBondContact O-N 3.4Å
125	Y	74.8	Confident	82	Confident	175 Å²	175	53.7 Å²	53.7	69%	0.686	25%	0.246	S	C	*	.	S	Bend	trans	-120.6	111.2	175.2	-61	-77.6	0	0	0	108.8	P123 C127 H130	P123-Y125 PolarHBondContact O-N 2.94Å; Y125-C127 PolarHBondContact O-N 3.1Å; Y125-H130 PolarHBondContact O-CE1 3.28Å
126	L	76.1	Confident	81.7	Confident	47 Å²	47	56.5 Å²	56.5	25%	0.246	26%	0.261	C	S	.	.			trans	-91	91.3	178.4	-169.3	76.6	0	0	0	110.6	H130 K131 G204 L205	L126-H130 HydrophobicContact CD1-CB 3.44Å; L126-H130 VanDerWaalsContact CD1-CB 3.44Å; L126-H130 HydrophobicContact CG-CB 4.32Å; L126-K131 HydrophobicContact CD2-CG 4.17Å; L126-K131 HydrophobicContact CG-CG 4.26Å; L126-G204 VanDerWaalsContact CD2-CA 3.4Å; L126-L205 HydrophobicContact CD1-CD1 4.34Å; L126-L205 HydrophobicContact CD1-CD2 3.65Å; L126-L205 HydrophobicContact CD1-CG 3.76Å; L126-L205 HydrophobicContact CD2-CD2 4.39Å; L126-L205 HydrophobicContact CD2-CG 4.26Å
127	C	78.8	Confident	81.4	Confident	60 Å²	60	56.5 Å²	56.5	41%	0.405	26%	0.261	S	S	.	.			trans	-78	172.5	170.4	78.1	0	0	0	0	113	Y125 E129 H130	Y125-C127 PolarHBondContact O-N 3.1Å; C127-E129 VanDerWaalsContact C-N 3.29Å; C127-E129 PolarHBondContact O-N 3.26Å; C127-H130 PolarHBondContact N-ND1 3.41Å; C127-H130 PolarHBondContact O-N 3.07Å; C127-H130 PolarHBondContact O-ND1 2.87Å; C127-H130 PolarHBondContact SG-CE1 3.4Å; C127-H130 PolarHBondContact SG-ND1 3.37Å
128	Y	77.8	Confident	81.1	Confident	176 Å²	176	56.5 Å²	56.5	69%	0.69	26%	0.261	S	S	*	.	H	α-helix	trans	-54	-42.1	177.5	173.9	-95.9	0	0	0	113	H130 K131 H132	Y128-H130 VanDerWaalsContact C-N 3.32Å; Y128-H130 PolarHBondContact O-N 3.28Å; Y128-K131 WeakPolarHBondContact O-CB 3.42Å; Y128-K131 PolarHBondContact O-N 3.36Å; Y128-H132 HydrophobicContact CD1-CB 4.48Å; Y128-H132 HydrophobicContact CE1-CB 4.07Å; Y128-H132 PolarHBondContact O-N 2.94Å
129	E	79.2	Confident	80.8	Confident	62 Å²	62	59.4 Å²	59.4	29%	0.29	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-42.4	-175.9	-162.8	-173.2	171.8	0	0	112.2	K98 T99 C127 K131 H132 I133	K98-E129 IonicContact NZ-OE1 3.54Å; T99-E129 HydrophobicContact CG2-CG 4.44Å; T99-E129 VanDerWaalsContact CG2-OE1 3.23Å; T99-E129 WeakPolarHBondContact CG2-OE1 2.98Å; T99-E129 WeakPolarHBondContact CG2-OE2 3.16Å; C127-E129 VanDerWaalsContact C-N 3.29Å; C127-E129 PolarHBondContact O-N 3.26Å; E129-K131 VanDerWaalsContact C-N 3.27Å; E129-K131 PolarHBondContact O-N 2.75Å; E129-H132 PolarHBondContact O-N 3.15Å; E129-I133 HydrophobicContact CG-CD1 3.95Å; E129-I133 HydrophobicContact CG-CG1 4.44Å; E129-I133 WeakPolarHBondContact O-CB 3.24Å; E129-I133 WeakPolarHBondContact O-CD1 3.36Å; E129-I133 VanDerWaalsContact O-CG1 3.22Å; E129-I133 WeakPolarHBondContact O-CG1 3.15Å; E129-I133 PolarHBondContact O-N 2.78Å
130	H	81.5	Confident	80.4	Confident	12 Å²	12	63.2 Å²	63.2	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-41.2	175.8	-57.9	108	0	0	0	112.6	T99 S100 L101 Y125 L126 C127 Y128 L134	T99-H130 PolarHBondContact O-CD2 2.72Å; T99-H130 PolarHBondContact O-NE2 2.99Å; S100-H130 PolarHBondContact OG-NE2 3.25Å; L101-H130 HydrophobicContact CD2-CB 4.04Å; L101-H130 WeakPolarHBondContact CD2-O 3.48Å; Y125-H130 PolarHBondContact O-CE1 3.28Å; L126-H130 HydrophobicContact CD1-CB 3.44Å; L126-H130 VanDerWaalsContact CD1-CB 3.44Å; L126-H130 HydrophobicContact CG-CB 4.32Å; C127-H130 PolarHBondContact N-ND1 3.41Å; C127-H130 PolarHBondContact O-N 3.07Å; C127-H130 PolarHBondContact O-ND1 2.87Å; C127-H130 PolarHBondContact SG-CE1 3.4Å; C127-H130 PolarHBondContact SG-ND1 3.37Å; Y128-H130 VanDerWaalsContact C-N 3.32Å; Y128-H130 PolarHBondContact O-N 3.28Å; H130-L134 PolarHBondContact O-N 3.06Å; H130-L134 VanDerWaalsContact O-N 3.11Å
131	K	81.9	Confident	80.4	Confident	60 Å²	60	61.6 Å²	61.6	26%	0.261	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-45.8	-179.9	-53.8	176.6	169.7	-155.7	0	110.4	L126 Y128 E129 I133 L134 C135 E208	L126-K131 HydrophobicContact CD2-CG 4.17Å; L126-K131 HydrophobicContact CG-CG 4.26Å; Y128-K131 WeakPolarHBondContact O-CB 3.42Å; Y128-K131 PolarHBondContact O-N 3.36Å; E129-K131 VanDerWaalsContact C-N 3.27Å; E129-K131 PolarHBondContact O-N 2.75Å; K131-I133 VanDerWaalsContact C-N 3.32Å; K131-I133 PolarHBondContact O-N 2.96Å; K131-L134 PolarHBondContact O-N 3.18Å; K131-C135 PolarHBondContact O-N 2.99Å; K131-C135 PolarHBondContact O-SG 2.95Å; K131-C135 VanDerWaalsContact O-SG 3.41Å; K131-E208 HydrophobicContact CB-CG 4.04Å; K131-E208 HydrophobicContact CD-CG 4.03Å; K131-E208 VanDerWaalsContact CD-OE1 3.28Å; K131-E208 WeakPolarHBondContact CD-OE1 3.35Å; K131-E208 VanDerWaalsContact CE-OE1 3.25Å; K131-E208 WeakPolarHBondContact CE-OE1 3.02Å; K131-E208 HydrophobicContact CG-CG 3.86Å; K131-E208 IonicContact NZ-OE1 3.84Å; K131-E208 PolarHBondContact NZ-OE1 2.96Å
132	H	81.1	Confident	80.5	Confident	84 Å²	84	55.9 Å²	55.9	39%	0.389	26%	0.255	S	S	.	.	H	α-helix	trans	-59.9	-43	176.5	177.8	-117.7	0	0	0	111.5	Y128 E129 L134 C135 N136	Y128-H132 HydrophobicContact CD1-CB 4.48Å; Y128-H132 HydrophobicContact CE1-CB 4.07Å; Y128-H132 PolarHBondContact O-N 2.94Å; E129-H132 PolarHBondContact O-N 3.15Å; H132-L134 PolarHBondContact O-N 3.28Å; H132-C135 PolarHBondContact O-N 3.1Å; H132-N136 PolarHBondContact CE1-ND2 3.22Å; H132-N136 PolarHBondContact ND1-ND2 3.48Å; H132-N136 PolarHBondContact NE2-ND2 3.35Å; H132-N136 WeakPolarHBondContact O-CB 3.45Å; H132-N136 VanDerWaalsContact O-CG 3.28Å; H132-N136 PolarHBondContact O-N 2.9Å; H132-N136 PolarHBondContact O-ND2 3.02Å
133	I	82.3	Confident	80.5	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-48.4	173.9	-76.6	164.8	0	0	0	111.6	Y96 K98 T99 L101 F103 E129 K131 N136 Y137	Y96-I133 HydrophobicContact CD1-CG2 4.47Å; Y96-I133 HydrophobicContact CE1-CG2 3.5Å; Y96-I133 VanDerWaalsContact CE1-CG2 3.5Å; Y96-I133 HydrophobicContact CE2-CG2 3.99Å; Y96-I133 WeakPolarHBondContact OH-CG1 3.34Å; Y96-I133 WeakPolarHBondContact OH-CG2 3.4Å; K98-I133 HydrophobicContact CB-CD1 4.06Å; K98-I133 HydrophobicContact CD-CD1 3.85Å; K98-I133 HydrophobicContact CD-CG1 4.34Å; K98-I133 HydrophobicContact CG-CD1 4.04Å; T99-I133 HydrophobicContact CG2-CD1 4.39Å; T99-I133 WeakPolarHBondContact OG1-CD1 3.47Å; L101-I133 HydrophobicContact CD2-CG2 4.05Å; F103-I133 HydrophobicContact CE2-CG2 3.64Å; F103-I133 HydrophobicContact CZ-CG2 3.87Å; E129-I133 HydrophobicContact CG-CD1 3.95Å; E129-I133 HydrophobicContact CG-CG1 4.44Å; E129-I133 WeakPolarHBondContact O-CB 3.24Å; E129-I133 WeakPolarHBondContact O-CD1 3.36Å; E129-I133 VanDerWaalsContact O-CG1 3.22Å; E129-I133 WeakPolarHBondContact O-CG1 3.15Å; E129-I133 PolarHBondContact O-N 2.78Å; K131-I133 VanDerWaalsContact C-N 3.32Å; K131-I133 PolarHBondContact O-N 2.96Å; I133-N136 PolarHBondContact O-N 3.13Å; I133-Y137 WeakPolarHBondContact O-CB 3.35Å; I133-Y137 PolarHBondContact O-N 3.22Å
134	L	85.7	Confident	80.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-47.2	178.9	176.1	55.7	0	0	0	111.6	F103 I119 H130 K131 H132 N136 Y137 F138 L205 E208	F103-L134 HydrophobicContact CD1-CD1 4.48Å; F103-L134 HydrophobicContact CE1-CB 4.44Å; F103-L134 HydrophobicContact CE1-CD1 3.68Å; F103-L134 HydrophobicContact CZ-CB 4.29Å; F103-L134 HydrophobicContact CZ-CD1 4.25Å; I119-L134 HydrophobicContact CD1-CD1 4.43Å; H130-L134 PolarHBondContact O-N 3.06Å; H130-L134 VanDerWaalsContact O-N 3.11Å; K131-L134 PolarHBondContact O-N 3.18Å; H132-L134 PolarHBondContact O-N 3.28Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.48Å; L134-Y137 WeakPolarHBondContact O-CB 3.42Å; L134-Y137 PolarHBondContact O-N 2.76Å; L134-F138 HydrophobicContact CD1-CD1 4.34Å; L134-F138 HydrophobicContact CD1-CD2 4.07Å; L134-F138 HydrophobicContact CD1-CE1 3.73Å; L134-F138 HydrophobicContact CD1-CE2 3.41Å; L134-F138 VanDerWaalsContact CD1-CE2 3.41Å; L134-F138 HydrophobicContact CD1-CG 4.49Å; L134-F138 HydrophobicContact CD1-CZ 3.21Å; L134-F138 HydrophobicContact CD2-CE2 3.94Å; L134-F138 HydrophobicContact CD2-CZ 4.19Å; L134-F138 HydrophobicContact CG-CD2 4.08Å; L134-F138 HydrophobicContact CG-CE2 3.46Å; L134-F138 VanDerWaalsContact CG-CE2 3.46Å; L134-F138 HydrophobicContact CG-CZ 3.81Å; L134-F138 WeakPolarHBondContact O-CD2 3.49Å; L134-F138 WeakPolarHBondContact O-CG 3.19Å; L134-F138 PolarHBondContact O-N 2.79Å; L134-L205 HydrophobicContact CB-CD2 4.39Å; L134-L205 HydrophobicContact CD2-CB 4.19Å; L134-L205 HydrophobicContact CD2-CD2 3.75Å; L134-E208 HydrophobicContact CD2-CB 4.46Å
135	C	84.3	Confident	80.7	Confident	32 Å²	32	52.1 Å²	52.1	22%	0.216	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-41.1	177.2	-70.3	0	0	0	0	112.2	K131 H132 F138 Q139	K131-C135 PolarHBondContact O-N 2.99Å; K131-C135 PolarHBondContact O-SG 2.95Å; K131-C135 VanDerWaalsContact O-SG 3.41Å; H132-C135 PolarHBondContact O-N 3.1Å; C135-F138 PolarHBondContact O-N 3.37Å; C135-Q139 WeakPolarHBondContact O-CB 3.22Å; C135-Q139 PolarHBondContact O-N 3.14Å
136	N	82.4	Confident	80.1	Confident	58 Å²	58	49.3 Å²	49.3	31%	0.31	23%	0.232	S	C	.	.	H	α-helix	trans	-67	-38.9	176.7	-76.3	-24.2	0	0	0	112.3	H132 I133 L134 Q139 R140	H132-N136 PolarHBondContact CE1-ND2 3.22Å; H132-N136 PolarHBondContact ND1-ND2 3.48Å; H132-N136 PolarHBondContact NE2-ND2 3.35Å; H132-N136 WeakPolarHBondContact O-CB 3.45Å; H132-N136 VanDerWaalsContact O-CG 3.28Å; H132-N136 PolarHBondContact O-N 2.9Å; H132-N136 PolarHBondContact O-ND2 3.02Å; I133-N136 PolarHBondContact O-N 3.13Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.48Å; N136-Q139 PolarHBondContact O-N 2.99Å; N136-R140 WeakPolarHBondContact O-CG 3.25Å; N136-R140 PolarHBondContact O-N 3.35Å
137	Y	85.5	Confident	79.4	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-50.3	173.2	173.5	-97.5	0	0	0	110.8	F43 F57 S105 I117 I133 L134 Q139 R140 V141	F43-Y137 AromaticContact CE1-CD2 3.57Å; F43-Y137 HydrophobicContact CE1-CD2 3.57Å; F43-Y137 AromaticContact CE1-CE2 3.63Å; F43-Y137 HydrophobicContact CE1-CE2 3.63Å; F43-Y137 AromaticContact CZ-CD2 3.77Å; F43-Y137 HydrophobicContact CZ-CD2 3.77Å; F43-Y137 HydrophobicContact CZ-CE2 4.19Å; F57-Y137 HydrophobicContact CE1-CE2 4.17Å; F57-Y137 HydrophobicContact CZ-CD2 4.41Å; F57-Y137 AromaticContact CZ-CE2 3.98Å; F57-Y137 HydrophobicContact CZ-CE2 3.98Å; S105-Y137 WeakPolarHBondContact CB-OH 3.47Å; S105-Y137 PolarHBondContact OG-OH 3.08Å; I117-Y137 HydrophobicContact CD1-CE1 3.83Å; I117-Y137 HydrophobicContact CG1-CE1 4.15Å; I117-Y137 HydrophobicContact CG2-CE1 4.17Å; I133-Y137 WeakPolarHBondContact O-CB 3.35Å; I133-Y137 PolarHBondContact O-N 3.22Å; L134-Y137 WeakPolarHBondContact O-CB 3.42Å; L134-Y137 PolarHBondContact O-N 2.76Å; Y137-Q139 PolarHBondContact O-N 2.9Å; Y137-R140 PolarHBondContact O-N 3.07Å; Y137-R140 VanDerWaalsContact O-N 3.16Å; Y137-V141 HydrophobicContact CD1-CG2 4.21Å; Y137-V141 HydrophobicContact CD2-CG2 4.36Å; Y137-V141 HydrophobicContact CE1-CG2 3.65Å; Y137-V141 HydrophobicContact CE2-CG2 3.81Å; Y137-V141 VanDerWaalsContact CZ-CG2 3.41Å; Y137-V141 WeakPolarHBondContact O-CG2 3.31Å; Y137-V141 PolarHBondContact O-N 3.42Å
138	F	87.1	Confident	78.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-46.8	175.7	-66.1	-35.6	0	0	0	111.9	L68 I117 L134 C135 R140 V141 F142 A209 W212 F213	L68-F138 HydrophobicContact CD2-CE1 4.45Å; L68-F138 HydrophobicContact CD2-CZ 3.75Å; I117-F138 HydrophobicContact CD1-CD1 4.32Å; I117-F138 HydrophobicContact CD1-CE1 3.86Å; L134-F138 HydrophobicContact CD1-CD1 4.34Å; L134-F138 HydrophobicContact CD1-CD2 4.07Å; L134-F138 HydrophobicContact CD1-CE1 3.73Å; L134-F138 HydrophobicContact CD1-CE2 3.41Å; L134-F138 VanDerWaalsContact CD1-CE2 3.41Å; L134-F138 HydrophobicContact CD1-CG 4.49Å; L134-F138 HydrophobicContact CD1-CZ 3.21Å; L134-F138 HydrophobicContact CD2-CE2 3.94Å; L134-F138 HydrophobicContact CD2-CZ 4.19Å; L134-F138 HydrophobicContact CG-CD2 4.08Å; L134-F138 HydrophobicContact CG-CE2 3.46Å; L134-F138 VanDerWaalsContact CG-CE2 3.46Å; L134-F138 HydrophobicContact CG-CZ 3.81Å; L134-F138 WeakPolarHBondContact O-CD2 3.49Å; L134-F138 WeakPolarHBondContact O-CG 3.19Å; L134-F138 PolarHBondContact O-N 2.79Å; C135-F138 PolarHBondContact O-N 3.37Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 3.22Å; F138-V141 PolarHBondContact O-N 2.77Å; F138-F142 HydrophobicContact CB-CD2 4.14Å; F138-F142 HydrophobicContact CB-CE2 4.29Å; F138-F142 HydrophobicContact CD1-CE2 4.16Å; F138-F142 WeakPolarHBondContact O-CD2 3.06Å; F138-F142 PolarHBondContact O-N 2.85Å; F138-A209 HydrophobicContact CE2-CB 3.92Å; F138-A209 HydrophobicContact CZ-CB 4.02Å; F138-W212 HydrophobicContact CB-CD2 3.78Å; F138-W212 HydrophobicContact CB-CE3 3.91Å; F138-W212 HydrophobicContact CB-CG 4.46Å; F138-W212 HydrophobicContact CB-CH2 3.89Å; F138-W212 HydrophobicContact CB-CZ2 3.72Å; F138-W212 HydrophobicContact CB-CZ3 3.97Å; F138-W212 HydrophobicContact CD2-CB 4.23Å; F138-W212 AromaticContact CD2-CD2 3.97Å; F138-W212 HydrophobicContact CD2-CD2 3.97Å; F138-W212 HydrophobicContact CD2-CE3 4.17Å; F138-W212 AromaticContact CD2-CG 3.98Å; F138-W212 HydrophobicContact CD2-CG 3.98Å; F138-W212 HydrophobicContact CG-CD2 4.27Å; F138-W212 HydrophobicContact CG-CE3 4.27Å; F138-F213 HydrophobicContact CD1-CZ 4.21Å; F138-F213 HydrophobicContact CE1-CE2 4.36Å; F138-F213 HydrophobicContact CE1-CZ 4.04Å; F138-F213 HydrophobicContact CE2-CE2 4.26Å; F138-F213 HydrophobicContact CE2-CZ 4.47Å; F138-F213 HydrophobicContact CZ-CE2 4.05Å; F138-F213 HydrophobicContact CZ-CZ 4.18Å
139	Q	83.9	Confident	78.1	Confident	68 Å²	68	45.4 Å²	45.4	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-57.1	-41.3	177.2	-176	64	35.2	0	0	111.6	C135 N136 Y137 C143 W212	C135-Q139 WeakPolarHBondContact O-CB 3.22Å; C135-Q139 PolarHBondContact O-N 3.14Å; N136-Q139 PolarHBondContact O-N 2.99Å; Y137-Q139 PolarHBondContact O-N 2.9Å; Q139-C143 WeakPolarHBondContact O-CB 3.4Å; Q139-C143 PolarHBondContact O-N 2.81Å; Q139-C143 PolarHBondContact O-SG 2.82Å; Q139-W212 HydrophobicContact CB-CZ2 4.35Å
140	R	80.8	Confident	77.2	Confident	80 Å²	80	49.7 Å²	49.7	30%	0.302	24%	0.235	S	C	.	.	H	α-helix	trans	-67.5	-42	177.3	-74.8	-179.5	179.5	-155.9	-0.4	113.4	F57 N136 Y137 F138 C143	F57-R140 HydrophobicContact CD2-CB 4.07Å; F57-R140 HydrophobicContact CE2-CB 3.9Å; F57-R140 HydrophobicContact CZ-CB 4.48Å; N136-R140 WeakPolarHBondContact O-CG 3.25Å; N136-R140 PolarHBondContact O-N 3.35Å; Y137-R140 PolarHBondContact O-N 3.07Å; Y137-R140 VanDerWaalsContact O-N 3.16Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 3.22Å; R140-C143 PolarHBondContact O-SG 2.87Å; R140-C143 VanDerWaalsContact O-SG 3.41Å
141	V	81.8	Confident	75.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-49.2	176.8	165	0	0	0	0	110.7	F57 Y60 I63 L115 Y137 F138	F57-V141 HydrophobicContact CD1-CB 4.46Å; F57-V141 HydrophobicContact CD1-CG2 3.92Å; F57-V141 HydrophobicContact CE1-CB 4.46Å; F57-V141 HydrophobicContact CE1-CG2 3.48Å; F57-V141 VanDerWaalsContact CE1-CG2 3.48Å; F57-V141 HydrophobicContact CZ-CG2 4.19Å; Y60-V141 HydrophobicContact CD2-CG1 4.28Å; I63-V141 HydrophobicContact CD1-CG1 3.83Å; L115-V141 HydrophobicContact CD2-CG1 3.37Å; Y137-V141 HydrophobicContact CD1-CG2 4.21Å; Y137-V141 HydrophobicContact CD2-CG2 4.36Å; Y137-V141 HydrophobicContact CE1-CG2 3.65Å; Y137-V141 HydrophobicContact CE2-CG2 3.81Å; Y137-V141 VanDerWaalsContact CZ-CG2 3.41Å; Y137-V141 WeakPolarHBondContact O-CG2 3.31Å; Y137-V141 PolarHBondContact O-N 3.42Å; F138-V141 PolarHBondContact O-N 2.77Å
142	F	83.3	Confident	74.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-90	-24.3	-168.5	-66.4	-68.8	0	0	0	113.5	I63 V66 L115 F138 R144 N145 F148 I155 W212 F213	I63-F142 HydrophobicContact CD1-CD1 4.3Å; I63-F142 HydrophobicContact CD1-CE1 4.08Å; I63-F142 HydrophobicContact CG2-CE1 4.43Å; V66-F142 HydrophobicContact CG1-CZ 4.43Å; V66-F142 HydrophobicContact CG2-CE1 3.93Å; V66-F142 HydrophobicContact CG2-CZ 3.75Å; L115-F142 HydrophobicContact CD2-CZ 4.48Å; F138-F142 HydrophobicContact CB-CD2 4.14Å; F138-F142 HydrophobicContact CB-CE2 4.29Å; F138-F142 HydrophobicContact CD1-CE2 4.16Å; F138-F142 WeakPolarHBondContact O-CD2 3.06Å; F138-F142 PolarHBondContact O-N 2.85Å; F142-R144 PolarHBondContact O-N 2.87Å; F142-N145 VanDerWaalsContact O-CB 3.31Å; F142-N145 WeakPolarHBondContact O-CB 3.46Å; F142-N145 PolarHBondContact O-N 3.01Å; F142-F148 HydrophobicContact CB-CD2 3.58Å; F142-F148 HydrophobicContact CB-CE1 4.44Å; F142-F148 HydrophobicContact CB-CE2 3.45Å; F142-F148 VanDerWaalsContact CB-CE2 3.45Å; F142-F148 HydrophobicContact CB-CG 4.14Å; F142-F148 HydrophobicContact CB-CZ 3.91Å; F142-F148 HydrophobicContact CG-CD2 4.49Å; F142-F148 HydrophobicContact CG-CE2 4.24Å; F142-F148 WeakPolarHBondContact O-CB 3.32Å; F142-F148 WeakPolarHBondContact O-CG 3.34Å; F142-I155 HydrophobicContact CD1-CD1 3.62Å; F142-I155 HydrophobicContact CE1-CD1 3.49Å; F142-I155 VanDerWaalsContact CE1-CD1 3.49Å; F142-I155 HydrophobicContact CZ-CD1 4.49Å; F142-W212 HydrophobicContact CB-CH2 4.03Å; F142-W212 AromaticContact CD2-CH2 3.49Å; F142-W212 HydrophobicContact CD2-CH2 3.49Å; F142-W212 VanDerWaalsContact CD2-CH2 3.49Å; F142-W212 AromaticContact CD2-CZ3 3.6Å; F142-W212 HydrophobicContact CD2-CZ3 3.6Å; F142-W212 HydrophobicContact CE2-CH2 4.36Å; F142-W212 HydrophobicContact CE2-CZ3 4.04Å; F142-W212 HydrophobicContact CG-CH2 4.08Å; F142-W212 HydrophobicContact CG-CZ3 4.37Å; F142-F213 HydrophobicContact CD2-CE1 4.38Å; F142-F213 AromaticContact CE2-CE1 3.53Å; F142-F213 HydrophobicContact CE2-CE1 3.53Å; F142-F213 AromaticContact CE2-CZ 3.96Å; F142-F213 HydrophobicContact CE2-CZ 3.96Å; F142-F213 AromaticContact CZ-CE1 3.77Å; F142-F213 HydrophobicContact CZ-CE1 3.77Å; F142-F213 HydrophobicContact CZ-CZ 4.23Å
143	C	76.7	Confident	73.8	Confident	45 Å²	45	61.3 Å²	61.3	30%	0.304	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.5	-179.3	70.5	0	0	0	0	114.7	Q139 R140	Q139-C143 WeakPolarHBondContact O-CB 3.4Å; Q139-C143 PolarHBondContact O-N 2.81Å; Q139-C143 PolarHBondContact O-SG 2.82Å; R140-C143 PolarHBondContact O-SG 2.87Å; R140-C143 VanDerWaalsContact O-SG 3.41Å
144	R	73.9	Confident	73.4	Confident	121 Å²	121	63.4 Å²	63.4	46%	0.457	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-7.2	176.9	-62.2	-58.7	-177.4	-170.3	-6.8	113.7	F57 F142 E146	F57-R144 HydrophobicContact CB-CG 4.38Å; F57-R144 WeakPolarHBondContact O-CB 3.15Å; F142-R144 PolarHBondContact O-N 2.87Å; R144-E146 PolarHBondContact O-N 2.56Å
145	N	75.3	Confident	73.2	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.048	31%	0.31	C	S	.	.	S	Bend	trans	-64.6	133.6	174.5	-173	-71.3	0	0	0	109	T61 I63 F142 N147 F148 T154	T61-N145 PolarHBondContact O-ND2 3.22Å; I63-N145 WeakPolarHBondContact CB-ND2 3.41Å; I63-N145 PolarHBondContact N-ND2 2.77Å; I63-N145 VanDerWaalsContact N-ND2 3.15Å; F142-N145 VanDerWaalsContact O-CB 3.31Å; F142-N145 WeakPolarHBondContact O-CB 3.46Å; F142-N145 PolarHBondContact O-N 3.01Å; N145-N147 PolarHBondContact O-N 3.34Å; N145-N147 PolarHBondContact OD1-N 2.83Å; N145-F148 HydrophobicContact CB-CB 4.34Å; N145-F148 PolarHBondContact O-N 2.77Å; N145-T154 PolarHBondContact OD1-OG1 3.33Å
146	E	61.9	Low	73.2	Confident	116 Å²	116	69 Å²	69	54%	0.542	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.5	-165.8	-81	-178.5	174.7	0	0	114.3	T61 R144	T61-E146 HydrophobicContact CG2-CG 4.23Å; T61-E146 PolarHBondContact O-N 2.79Å; R144-E146 PolarHBondContact O-N 2.56Å
147	N	62.3	Low	73.4	Confident	35 Å²	35	67.9 Å²	67.9	19%	0.187	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	11.5	-174.8	-55.5	-70.9	0	0	0	115.9	N145 D149 K150 K152 T154	N145-N147 PolarHBondContact O-N 3.34Å; N145-N147 PolarHBondContact OD1-N 2.83Å; N147-D149 VanDerWaalsContact C-N 3.29Å; N147-D149 PolarHBondContact O-N 2.82Å; N147-K150 PolarHBondContact O-N 3.15Å; N147-K152 HydrophobicContact CB-CB 3.83Å; N147-K152 WeakPolarHBondContact CB-O 3.49Å; N147-T154 HydrophobicContact CB-CG2 4.18Å; N147-T154 WeakPolarHBondContact ND2-CG2 3.46Å
148	F	66.3	Low	73.5	Confident	39 Å²	39	67.9 Å²	67.9	17%	0.171	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.3	-177.6	-172.3	-111.6	0	0	0	113.4	F142 N145 W212 K216 L218	F142-F148 HydrophobicContact CB-CD2 3.58Å; F142-F148 HydrophobicContact CB-CE1 4.44Å; F142-F148 HydrophobicContact CB-CE2 3.45Å; F142-F148 VanDerWaalsContact CB-CE2 3.45Å; F142-F148 HydrophobicContact CB-CG 4.14Å; F142-F148 HydrophobicContact CB-CZ 3.91Å; F142-F148 HydrophobicContact CG-CD2 4.49Å; F142-F148 HydrophobicContact CG-CE2 4.24Å; F142-F148 WeakPolarHBondContact O-CB 3.32Å; F142-F148 WeakPolarHBondContact O-CG 3.34Å; N145-F148 HydrophobicContact CB-CB 4.34Å; N145-F148 PolarHBondContact O-N 2.77Å; F148-W212 AromaticContact CE2-CH2 3.86Å; F148-W212 HydrophobicContact CE2-CH2 3.86Å; F148-W212 AromaticContact CZ-CH2 3.63Å; F148-W212 HydrophobicContact CZ-CH2 3.63Å; F148-W212 HydrophobicContact CZ-CZ2 4.1Å; F148-K216 HydrophobicContact CE2-CD 4.49Å; F148-K216 HydrophobicContact CE2-CG 4.5Å; F148-K216 HydrophobicContact CZ-CD 3.79Å; F148-K216 HydrophobicContact CZ-CG 4.13Å; F148-L218 HydrophobicContact CE2-CD1 4.36Å
149	D	62.7	Low	73.7	Confident	126 Å²	126	68.2 Å²	68.2	67%	0.674	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	4	-177.5	-63.7	-35.3	0	0	0	113.8	N147	N147-D149 VanDerWaalsContact C-N 3.29Å; N147-D149 PolarHBondContact O-N 2.82Å
150	K	59.7	Low	74	Confident	152 Å²	152	65 Å²	65	66%	0.661	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	22.2	-169.8	-68.1	-176.9	-178.7	167.6	0	114.6	N147 K152	N147-K150 PolarHBondContact O-N 3.15Å; K150-K152 PolarHBondContact O-N 2.65Å
151	D	55.6	Low	74.5	Confident	164 Å²	164	61.1 Å²	61.1	88%	0.877	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	12.4	-177.6	-61.5	-35	0	0	0	115.2
152	K	56.6	Low	74.8	Confident	143 Å²	143	61.1 Å²	61.1	62%	0.622	30%	0.295	S	S	*	.			trans	-107.4	71.6	178.7	-75.5	-173	-178.5	-176.5	0	109.8	N147 K150 T154	N147-K152 HydrophobicContact CB-CB 3.83Å; N147-K152 WeakPolarHBondContact CB-O 3.49Å; K150-K152 PolarHBondContact O-N 2.65Å; K152-T154 PolarHBondContact O-N 2.79Å
153	I	61.7	Low	74.8	Confident	94 Å²	94	61.5 Å²	61.5	48%	0.482	30%	0.298	S	S	.	.			trans	-60.3	107.4	-179.1	-58.1	171.8	0	0	0	109.5	I155 S217 L218	I153-I155 HydrophobicContact CG2-CB 4.17Å; I153-I155 WeakPolarHBondContact CG2-O 3.49Å; I153-S217 WeakPolarHBondContact CD1-O 3.14Å; I153-L218 HydrophobicContact CD1-CD2 4.43Å; I153-L218 HydrophobicContact CG1-CD2 4.38Å; I153-L218 HydrophobicContact CG2-CD2 3.63Å
154	T	73.5	Confident	74.8	Confident	48 Å²	48	60.9 Å²	60.9	29%	0.294	29%	0.289	S	S	.	.			trans	-83.4	-18.6	172.7	51.8	0	0	0	0	112.2	I63 N145 N147 K152 K156	I63-T154 PolarHBondContact O-OG1 3.42Å; N145-T154 PolarHBondContact OD1-OG1 3.33Å; N147-T154 HydrophobicContact CB-CG2 4.18Å; N147-T154 WeakPolarHBondContact ND2-CG2 3.46Å; K152-T154 PolarHBondContact O-N 2.79Å; T154-K156 PolarHBondContact O-N 2.99Å; T154-K156 VanDerWaalsContact O-N 3.15Å
155	I	82.8	Confident	74.8	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.041	28%	0.275	C	S	.	.			trans	-72	107.3	178.7	-58.5	171.9	0	0	0	108.2	S64 V66 F142 I153 I158 L218	S64-I155 CarbonylContact O-C 3.5Å; S64-I155 WeakPolarHBondContact O-CA 3.43Å; V66-I155 HydrophobicContact CG2-CG2 4.41Å; F142-I155 HydrophobicContact CD1-CD1 3.62Å; F142-I155 HydrophobicContact CE1-CD1 3.49Å; F142-I155 VanDerWaalsContact CE1-CD1 3.49Å; F142-I155 HydrophobicContact CZ-CD1 4.49Å; I153-I155 HydrophobicContact CG2-CB 4.17Å; I153-I155 WeakPolarHBondContact CG2-O 3.49Å; I155-I158 HydrophobicContact CG2-CD1 3.86Å; I155-I158 HydrophobicContact CG2-CG1 3.73Å; I155-L218 HydrophobicContact CB-CD2 4.32Å; I155-L218 HydrophobicContact CD1-CD1 4.02Å; I155-L218 HydrophobicContact CD1-CD2 4.05Å
156	K	83.2	Confident	74.4	Confident	142 Å²	142	56.1 Å²	56.1	62%	0.617	27%	0.274	S	S	*	.			trans	-76.4	-40.4	-179.9	-63.8	177.8	-176.8	169.6	0	111.6	S64 T154 P219	S64-K156 PolarHBondContact O-N 3.39Å; T154-K156 PolarHBondContact O-N 2.99Å; T154-K156 VanDerWaalsContact O-N 3.15Å; K156-P219 VanDerWaalsContact O-CG 3.24Å; K156-P219 WeakPolarHBondContact O-CG 3.3Å
157	D	86.2	Confident	74.2	Confident	35 Å²	35	55.3 Å²	55.3	19%	0.187	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	149.7	177.9	58.9	83.4	0	0	0	113	H65 V66 N159	H65-D157 WeakPolarHBondContact CA-O 3.49Å; H65-D157 IonicContact CE1-OD2 2.95Å; H65-D157 PolarHBondContact CE1-OD2 2.97Å; H65-D157 IonicContact CG-OD2 3.83Å; H65-D157 VanDerWaalsContact ND1-CG 3.29Å; H65-D157 IonicContact ND1-OD1 3.81Å; H65-D157 PolarHBondContact ND1-OD1 3.14Å; H65-D157 IonicContact ND1-OD2 3.69Å; H65-D157 PolarHBondContact ND1-OD2 2.93Å; V66-D157 PolarHBondContact N-O 2.86Å; D157-N159 PolarHBondContact OD1-ND2 3.23Å
158	I	89.1	Confident	73.8	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.8	167.6	-63.5	139.8	0	0	0	108	V66 I155 V160 F213 L218 P219 V220 N221	V66-I158 HydrophobicContact CB-CB 4.24Å; V66-I158 HydrophobicContact CB-CG1 3.78Å; V66-I158 HydrophobicContact CB-CG2 4.11Å; V66-I158 HydrophobicContact CG1-CG2 4.24Å; V66-I158 HydrophobicContact CG2-CG1 3.93Å; V66-I158 CarbonylContact O-C 3.59Å; V66-I158 WeakPolarHBondContact O-CA 3.42Å; I155-I158 HydrophobicContact CG2-CD1 3.86Å; I155-I158 HydrophobicContact CG2-CG1 3.73Å; I158-V160 HydrophobicContact CG2-CG2 4.37Å; I158-F213 HydrophobicContact CD1-CB 4.15Å; I158-F213 HydrophobicContact CD1-CD1 3.33Å; I158-F213 HydrophobicContact CD1-CE1 3.78Å; I158-F213 HydrophobicContact CD1-CG 3.78Å; I158-F213 HydrophobicContact CG1-CD1 4.11Å; I158-F213 HydrophobicContact CG1-CE1 4.11Å; I158-F213 HydrophobicContact CG2-CD1 4.31Å; I158-F213 HydrophobicContact CG2-CD2 3.67Å; I158-F213 HydrophobicContact CG2-CE1 4.21Å; I158-F213 HydrophobicContact CG2-CE2 3.58Å; I158-F213 HydrophobicContact CG2-CG 4.07Å; I158-F213 HydrophobicContact CG2-CZ 3.86Å; I158-L218 HydrophobicContact CD1-CB 3.4Å; I158-L218 VanDerWaalsContact CD1-CB 3.4Å; I158-L218 HydrophobicContact CD1-CD1 4.06Å; I158-L218 HydrophobicContact CD1-CG 4.29Å; I158-P219 WeakPolarHBondContact CB-O 3.28Å; I158-P219 PolarHBondContact N-O 3.44Å; I158-V220 HydrophobicContact CB-CB 4.07Å; I158-V220 HydrophobicContact CB-CG2 4.15Å; I158-V220 HydrophobicContact CG2-CB 4.27Å; I158-V220 HydrophobicContact CG2-CG2 3.82Å; I158-V220 CarbonylContact O-C 3.55Å; I158-V220 WeakPolarHBondContact O-CA 3.4Å; I158-N221 PolarHBondContact O-N 2.94Å
159	N	90.3	Very high	73	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.2	178	-59.1	-75	0	0	0	109.4	V66 I67 L68 D157 N221 Y223 I251	V66-N159 PolarHBondContact O-N 3.35Å; I67-N159 WeakPolarHBondContact CA-O 3.35Å; L68-N159 PolarHBondContact N-O 2.97Å; D157-N159 PolarHBondContact OD1-ND2 3.23Å; N159-N221 WeakPolarHBondContact CA-O 2.84Å; N159-Y223 HydrophobicContact CB-CE2 4.21Å; N159-Y223 WeakPolarHBondContact OD1-CE2 3.39Å; N159-I251 HydrophobicContact CB-CD1 3.46Å; N159-I251 VanDerWaalsContact CB-CD1 3.46Å; N159-I251 HydrophobicContact CB-CG1 4Å
160	V	91.1	Very high	72.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	110.4	173.4	-178.1	0	0	0	0	108	L68 I70 I158 P206 A209 V220 N221 V222 Y223	L68-V160 HydrophobicContact CB-CG2 4.3Å; L68-V160 HydrophobicContact CD2-CG1 4.11Å; L68-V160 HydrophobicContact CD2-CG2 4.09Å; L68-V160 HydrophobicContact CG-CG1 4.4Å; L68-V160 CarbonylContact O-C 3.47Å; L68-V160 WeakPolarHBondContact O-CA 3.33Å; I70-V160 HydrophobicContact CD1-CG1 4.08Å; I158-V160 HydrophobicContact CG2-CG2 4.37Å; V160-P206 HydrophobicContact CG1-CB 4.24Å; V160-A209 HydrophobicContact CG2-CB 4.3Å; V160-V220 HydrophobicContact CG2-CG2 3.93Å; V160-N221 PolarHBondContact N-O 2.91Å; V160-V222 HydrophobicContact CB-CB 4.37Å; V160-V222 HydrophobicContact CB-CG1 4.27Å; V160-V222 HydrophobicContact CB-CG2 4Å; V160-V222 HydrophobicContact CG1-CG1 4.26Å; V160-V222 HydrophobicContact CG2-CG2 4.33Å; V160-V222 CarbonylContact O-C 3.56Å; V160-V222 WeakPolarHBondContact O-CA 3.14Å; V160-Y223 PolarHBondContact O-N 3.14Å
161	L	90.2	Very high	71.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.9	176.7	-55.2	179.2	0	0	0	108.9	I67 L68 A69 I70 T74 F77 V78 Y223 V249 I251	I67-L161 HydrophobicContact CG2-CD1 4.09Å; L68-L161 PolarHBondContact O-N 2.83Å; A69-L161 CarbonylContact C-O 3.6Å; A69-L161 WeakPolarHBondContact CA-O 3.39Å; I70-L161 PolarHBondContact N-O 3.26Å; T74-L161 HydrophobicContact CG2-CB 3.8Å; T74-L161 PolarHBondContact OG1-O 3.16Å; T74-L161 VanDerWaalsContact OG1-O 3.12Å; F77-L161 HydrophobicContact CD1-CD1 4.28Å; V78-L161 HydrophobicContact CG2-CD1 3.51Å; L161-Y223 WeakPolarHBondContact CA-O 3.28Å; L161-Y223 HydrophobicContact CD2-CD2 3.7Å; L161-Y223 HydrophobicContact CD2-CG 4Å; L161-V249 HydrophobicContact CD2-CG1 4Å; L161-I251 HydrophobicContact CD1-CD1 4.02Å; L161-I251 HydrophobicContact CD2-CD1 4.24Å; L161-I251 HydrophobicContact CG-CD1 4.31Å
162	C	88.4	Confident	70.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.8	175.6	69.2	0	0	0	0	112.9	I70 P206 Y223 I224 V225	I70-C162 HydrophobicContact CB-CB 4.07Å; I70-C162 VanDerWaalsContact O-CA 3.27Å; I70-C162 WeakPolarHBondContact O-CA 3.33Å; C162-P206 HydrophobicContact CB-CB 4.17Å; C162-P206 HydrophobicContact CB-CG 3.57Å; C162-Y223 PolarHBondContact N-O 3.3Å; C162-I224 CarbonylContact O-C 3.54Å; C162-I224 WeakPolarHBondContact O-CA 3.39Å; C162-V225 PolarHBondContact O-N 2.72Å
163	S	83.5	Confident	70.4	Confident	7 Å²	7	58.4 Å²	58.4	5%	0.049	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137	174.3	57.6	0	0	0	0	111.8	I70 V225	I70-S163 PolarHBondContact O-N 2.88Å; I70-S163 VanDerWaalsContact O-N 3.17Å; S163-V225 CarbonylContact C-O 3.47Å; S163-V225 WeakPolarHBondContact CA-O 3.4Å
164	R	77.3	Confident	70.2	Confident	32 Å²	32	63.5 Å²	63.5	12%	0.121	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.1	179.3	-63.8	-65.5	-177.7	-118.4	17.1	111.6	E122 I224 V225 F226 Y227	E122-R164 IonicContact OE1-NH2 2.77Å; E122-R164 PolarHBondContact OE1-NH2 3.22Å; E122-R164 IonicContact OE2-CZ 2.67Å; E122-R164 IonicContact OE2-NH1 3.25Å; E122-R164 PolarHBondContact OE2-NH1 3.07Å; E122-R164 IonicContact OE2-NH2 3.08Å; E122-R164 PolarHBondContact OE2-NH2 3.11Å; R164-I224 HydrophobicContact CB-CG2 4.29Å; R164-I224 HydrophobicContact CG-CG2 3.9Å; R164-V225 PolarHBondContact N-O 2.77Å; R164-F226 HydrophobicContact CB-CD1 4.17Å; R164-F226 HydrophobicContact CB-CE1 4.02Å; R164-F226 CarbonylContact O-C 3.55Å; R164-F226 VanDerWaalsContact O-CA 3.27Å; R164-F226 WeakPolarHBondContact O-CA 3.19Å; R164-Y227 VanDerWaalsContact C-CE1 3.41Å; R164-Y227 WeakPolarHBondContact O-CD1 3.27Å; R164-Y227 PolarHBondContact O-N 3.31Å
165	P	72.8	Confident	69.5	Low	24 Å²	24	66 Å²	66	16%	0.156	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.7	173	30.1	-34.2	0	0	0	111.5	T167 Q168 Y227 P229	P165-T167 PolarHBondContact O-N 2.67Å; P165-Q168 PolarHBondContact O-N 2.79Å; P165-Y227 CarbonylContact C-O 3.59Å; P165-Y227 VanDerWaalsContact CA-O 3.26Å; P165-Y227 WeakPolarHBondContact CA-O 3.23Å; P165-Y227 HydrophobicContact CB-CE2 4.48Å; P165-P229 HydrophobicContact CB-CG 3.66Å
166	V	66.2	Low	68.6	Low	6 Å²	6	67.7 Å²	67.7	4%	0.036	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-65.7	-18.2	-179.6	178.4	0	0	0	0	112.5	Q168 Y169 P176 F179 F226 Y227 L228	V166-Q168 PolarHBondContact O-N 3.15Å; V166-Y169 WeakPolarHBondContact O-CB 3.46Å; V166-Y169 PolarHBondContact O-N 2.83Å; V166-P176 HydrophobicContact CG1-CG 3.73Å; V166-F179 HydrophobicContact CG1-CE1 4.45Å; V166-F179 HydrophobicContact CG2-CE1 4.36Å; V166-F226 HydrophobicContact CG2-CB 3.87Å; V166-Y227 WeakPolarHBondContact CG2-O 3.18Å; V166-Y227 PolarHBondContact N-O 2.92Å; V166-L228 HydrophobicContact CB-CD2 3.54Å; V166-L228 HydrophobicContact CB-CG 4.4Å; V166-L228 HydrophobicContact CG1-CD2 3.98Å; V166-L228 HydrophobicContact CG2-CD2 3.67Å; V166-L228 HydrophobicContact CG2-CG 3.98Å
167	T	57.7	Low	67.8	Low	99 Å²	99	65.1 Å²	65.1	61%	0.607	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-58.1	-16.7	179.1	50.9	0	0	0	0	113.5	P165 Y169	P165-T167 PolarHBondContact O-N 2.67Å; T167-Y169 VanDerWaalsContact C-N 3.29Å; T167-Y169 PolarHBondContact O-N 2.87Å
168	Q	53.9	Low	67.1	Low	137 Å²	137	64.2 Å²	64.2	64%	0.64	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-79	-4.9	172.1	-64.7	-178.3	-15.3	0	0	114.1	P165 V166	P165-Q168 PolarHBondContact O-N 2.79Å; V166-Q168 PolarHBondContact O-N 3.15Å
169	Y	50.3	Low	66.5	Low	72 Å²	72	66.6 Å²	66.6	28%	0.282	35%	0.354	S	S	.	.	S	Bend	trans	-119.3	-10	-161.8	-141.7	-87.3	0	0	0	116.6	V166 T167 F179 K181 T200 F226	V166-Y169 WeakPolarHBondContact O-CB 3.46Å; V166-Y169 PolarHBondContact O-N 2.83Å; T167-Y169 VanDerWaalsContact C-N 3.29Å; T167-Y169 PolarHBondContact O-N 2.87Å; Y169-F179 HydrophobicContact CD1-CZ 4.41Å; Y169-F179 HydrophobicContact CG-CZ 4.46Å; Y169-K181 PolarHBondContact OH-NZ 2.75Å; Y169-T200 HydrophobicContact CE2-CG2 3.71Å; Y169-T200 PolarHBondContact OH-OG1 3.17Å; Y169-F226 AromaticContact CD2-CE1 3.82Å; Y169-F226 HydrophobicContact CD2-CE1 3.82Å; Y169-F226 AromaticContact CD2-CZ 3.95Å; Y169-F226 HydrophobicContact CD2-CZ 3.95Å; Y169-F226 HydrophobicContact CE2-CZ 4.18Å
170	S	43.2	Very low	65.7	Low	56 Å²	56	67.1 Å²	67.1	39%	0.392	36%	0.357	S	S	.	.			trans	-152.4	115.6	-175.2	169.2	0	0	0	0	111.8	L173	S170-L173 PolarHBondContact OG-N 3.33Å; S170-L173 PolarHBondContact OG-O 2.93Å
171	S	44	Very low	65	Low	119 Å²	119	67.9 Å²	67.9	83%	0.832	36%	0.36	S	S	*	.	S	Bend	trans	-87.2	-9.7	171.7	57.9	0	0	0	0	113.3
172	K	45.9	Very low	64.2	Low	191 Å²	191	68.8 Å²	68.8	83%	0.83	37%	0.366	S	S	*	.	S	Bend	trans	-150.9	6.4	-165.6	-68.5	-168.9	179.3	179.2	0	118.9
173	L	47.9	Very low	63.6	Low	149 Å²	149	69.5 Å²	69.5	78%	0.78	37%	0.37	S	S	*	.	S	Bend	trans	-132	146.8	-179.8	-81.2	158.4	0	0	0	112.5	S170 T175	S170-L173 PolarHBondContact OG-N 3.33Å; S170-L173 PolarHBondContact OG-O 2.93Å; L173-T175 PolarHBondContact O-N 3.28Å
174	K	57	Low	63	Low	201 Å²	201	71 Å²	71	87%	0.874	38%	0.379	S	S	*	.			trans	-35.1	130.5	177.1	-78.8	-178.1	177.2	179.9	0	110.8	P176	K174-P176 VanDerWaalsContact O-CD 3.27Å; K174-P176 WeakPolarHBondContact O-CD 3.21Å
175	T	58.1	Low	62.5	Low	101 Å²	101	70.4 Å²	70.4	62%	0.62	38%	0.379	S	S	*	.			trans	-49.7	107.8	-178.2	-40.7	0	0	0	0	110.9	L173 L228	L173-T175 PolarHBondContact O-N 3.28Å; T175-L228 HydrophobicContact CG2-CD1 3.55Å; T175-L228 HydrophobicContact CG2-CD2 3.1Å; T175-L228 HydrophobicContact CG2-CG 3.94Å
176	P	63.3	Low	62	Low	43 Å²	43	73.4 Å²	73.4	28%	0.279	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-72.1	150.8	-176	29.6	-34.3	0	0	0	110.4	V166 K174 F179 L228	V166-P176 HydrophobicContact CG1-CG 3.73Å; K174-P176 VanDerWaalsContact O-CD 3.27Å; K174-P176 WeakPolarHBondContact O-CD 3.21Å; P176-F179 HydrophobicContact CG-CE1 4.08Å; P176-L228 VanDerWaalsContact O-CD1 3.28Å; P176-L228 WeakPolarHBondContact O-CD1 3.23Å
177	P	66.9	Low	60.9	Low	88 Å²	88	79.6 Å²	79.6	57%	0.571	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-58.8	163.7	173.4	28.8	-36.1	0	0	0	110.7	F179	P177-F179 WeakPolarHBondContact O-CD1 2.93Å; P177-F179 PolarHBondContact O-N 2.69Å
178	P	72.7	Confident	60	Low	16 Å²	16	77.5 Å²	77.5	10%	0.104	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-50.3	138.1	172.8	-24.8	34	0	0	0	111.7	F226 I242	P178-F226 WeakPolarHBondContact CA-O 3.37Å; P178-F226 WeakPolarHBondContact CB-O 3.26Å; P178-I242 HydrophobicContact CB-CG1 3.95Å; P178-I242 HydrophobicContact CG-CG1 3.89Å
179	F	74.9	Confident	59.2	Low	51 Å²	51	78 Å²	78	22%	0.224	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.2	-179.4	65.5	-91.5	0	0	0	110.6	V166 Y169 P176 P177 K181 F226	V166-F179 HydrophobicContact CG1-CE1 4.45Å; V166-F179 HydrophobicContact CG2-CE1 4.36Å; Y169-F179 HydrophobicContact CD1-CZ 4.41Å; Y169-F179 HydrophobicContact CG-CZ 4.46Å; P176-F179 HydrophobicContact CG-CE1 4.08Å; P177-F179 WeakPolarHBondContact O-CD1 2.93Å; P177-F179 PolarHBondContact O-N 2.69Å; F179-K181 HydrophobicContact CD2-CG 4Å; F179-K181 HydrophobicContact CE2-CD 3.99Å; F179-K181 VanDerWaalsContact CE2-CE 3.48Å; F179-K181 HydrophobicContact CE2-CG 3.77Å; F179-F226 HydrophobicContact CD1-CB 3.96Å; F179-F226 HydrophobicContact CD2-CB 4.11Å; F179-F226 AromaticContact CD2-CD2 3.84Å; F179-F226 HydrophobicContact CD2-CD2 3.84Å; F179-F226 HydrophobicContact CD2-CG 4.29Å; F179-F226 HydrophobicContact CE1-CB 3.64Å; F179-F226 HydrophobicContact CE1-CG 4.11Å; F179-F226 HydrophobicContact CE2-CB 3.77Å; F179-F226 AromaticContact CE2-CD2 3.18Å; F179-F226 HydrophobicContact CE2-CD2 3.18Å; F179-F226 AromaticContact CE2-CE2 3.89Å; F179-F226 HydrophobicContact CE2-CE2 3.89Å; F179-F226 AromaticContact CE2-CG 3.57Å; F179-F226 HydrophobicContact CE2-CG 3.57Å; F179-F226 HydrophobicContact CG-CB 4.19Å; F179-F226 HydrophobicContact CZ-CB 3.53Å; F179-F226 HydrophobicContact CZ-CD1 4.16Å; F179-F226 AromaticContact CZ-CD2 3.61Å; F179-F226 HydrophobicContact CZ-CD2 3.61Å; F179-F226 HydrophobicContact CZ-CE2 4.36Å; F179-F226 AromaticContact CZ-CG 3.48Å; F179-F226 HydrophobicContact CZ-CG 3.48Å; F179-F226 VanDerWaalsContact CZ-CG 3.48Å; F179-F226 PolarHBondContact N-O 3.17Å; F179-F226 VanDerWaalsContact N-O 3.13Å; F179-F226 PolarHBondContact O-N 2.96Å
180	I	75.5	Confident	58.7	Low	18 Å²	18	79.6 Å²	79.6	9%	0.092	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139	176.9	-61.2	166.8	0	0	0	110.2	L196 I224 V225 T245 L246 V249	I180-L196 WeakPolarHBondContact O-CD2 3.49Å; I180-I224 CarbonylContact C-O 3.51Å; I180-I224 VanDerWaalsContact CA-O 3.26Å; I180-I224 WeakPolarHBondContact CA-O 3.22Å; I180-V225 HydrophobicContact CD1-CG2 4.47Å; I180-V225 HydrophobicContact CG1-CG2 4.16Å; I180-T245 VanDerWaalsContact CD1-C 3.44Å; I180-T245 HydrophobicContact CD1-CG2 4.04Å; I180-T245 WeakPolarHBondContact CD1-O 3.36Å; I180-T245 HydrophobicContact CG1-CG2 4.01Å; I180-L246 VanDerWaalsContact CD1-CA 3.44Å; I180-L246 HydrophobicContact CD1-CB 4.32Å; I180-L246 HydrophobicContact CD1-CD2 3.86Å; I180-L246 HydrophobicContact CD1-CG 4.03Å; I180-V249 HydrophobicContact CB-CG2 4.43Å; I180-V249 HydrophobicContact CD1-CB 4.49Å; I180-V249 HydrophobicContact CD1-CG2 3.7Å; I180-V249 HydrophobicContact CG2-CG2 3.86Å
181	K	75	Confident	58.7	Low	15 Å²	15	79.6 Å²	79.6	7%	0.065	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.9	167.5	-66.2	-166.8	170.1	-149	0	110.8	Y169 F179 E198 T200 Y223 I224 F226	Y169-K181 PolarHBondContact OH-NZ 2.75Å; F179-K181 HydrophobicContact CD2-CG 4Å; F179-K181 HydrophobicContact CE2-CD 3.99Å; F179-K181 VanDerWaalsContact CE2-CE 3.48Å; F179-K181 HydrophobicContact CE2-CG 3.77Å; K181-E198 IonicContact NZ-OE2 2.79Å; K181-T200 WeakPolarHBondContact CD-OG1 3.27Å; K181-Y223 CarbonylContact O-C 3.56Å; K181-Y223 VanDerWaalsContact O-CA 3.31Å; K181-Y223 WeakPolarHBondContact O-CA 3.05Å; K181-I224 HydrophobicContact CB-CB 4.5Å; K181-I224 PolarHBondContact N-O 3.43Å; K181-I224 PolarHBondContact O-N 3.24Å; K181-F226 HydrophobicContact CB-CE2 4.19Å; K181-F226 HydrophobicContact CD-CD2 4.5Å; K181-F226 HydrophobicContact CD-CE2 3.87Å; K181-F226 HydrophobicContact CG-CD2 4.23Å; K181-F226 HydrophobicContact CG-CE2 3.93Å
182	C	74.6	Confident	58.9	Low	19 Å²	19	84.9 Å²	84.9	13%	0.128	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134	175.8	-177.6	0	0	0	0	109.9	L196 V222 Y223	C182-L196 HydrophobicContact CB-CD1 3.82Å; C182-V222 CarbonylContact C-O 3.55Å; C182-V222 VanDerWaalsContact CA-O 3.29Å; C182-V222 WeakPolarHBondContact CA-O 3.37Å; C182-Y223 HydrophobicContact CB-CD1 4.03Å; C182-Y223 HydrophobicContact CB-CE1 4.12Å
183	I	75.5	Confident	59	Low	15 Å²	15	80.3 Å²	80.3	8%	0.077	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	96.8	171.6	-53.8	174.6	0	0	0	107	L202 L210 V222 I224	I183-L202 HydrophobicContact CD1-CB 4.18Å; I183-L202 HydrophobicContact CD1-CD2 4.34Å; I183-L210 HydrophobicContact CG2-CD2 4.38Å; I183-V222 HydrophobicContact CB-CB 4.27Å; I183-V222 PolarHBondContact N-O 3.34Å; I183-V222 PolarHBondContact O-N 3.48Å; I183-I224 HydrophobicContact CD1-CD1 3.95Å
184	P	70.8	Confident	58.7	Low	38 Å²	38	78.5 Å²	78.5	25%	0.247	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	150.5	174.6	31.6	-33.3	0	0	0	111.1	Y3 N221	Y3-P184 PolarHBondContact OH-O 2.9Å; P184-N221 WeakPolarHBondContact CA-OD1 3.28Å; P184-N221 WeakPolarHBondContact CB-OD1 3.32Å
185	T	66.3	Low	58.1	Low	21 Å²	21	78.6 Å²	78.6	13%	0.129	44%	0.443	C	S	.	.			trans	-89.3	-19.8	167.5	50.4	0	0	0	0	114.2	F4 S187 L210 Y214 V220	F4-T185 HydrophobicContact CZ-CG2 4.47Å; T185-S187 PolarHBondContact O-N 2.59Å; T185-L210 HydrophobicContact CG2-CD1 3.53Å; T185-Y214 HydrophobicContact CG2-CD2 3.99Å; T185-V220 HydrophobicContact CG2-CG1 3.36Å; T185-V220 WeakPolarHBondContact CG2-O 3.25Å; T185-V220 PolarHBondContact N-O 3.42Å; T185-V220 VanDerWaalsContact N-O 3.14Å; T185-V220 PolarHBondContact OG1-N 2.93Å; T185-V220 VanDerWaalsContact OG1-N 3.14Å; T185-V220 PolarHBondContact OG1-O 3.17Å
186	D	61.6	Low	57.6	Low	86 Å²	86	75.9 Å²	75.9	46%	0.46	43%	0.425	S	S	.	.			trans	-78.8	115.5	-176	-63.6	-14.9	0	0	0	110	G188	D186-G188 PolarHBondContact O-N 3.23Å
187	S	44.9	Very low	56.6	Low	136 Å²	136	79.9 Å²	79.9	95%	0.951	44%	0.44	S	S	*	.	S	Bend	trans	-74.7	0.4	-178.8	54.5	0	0	0	0	114.2	T185	T185-S187 PolarHBondContact O-N 2.59Å
188	G	38.9	Very low	55.9	Low	55 Å²	55	81.8 Å²	81.8	57%	0.567	44%	0.441	S	S	*	.			trans	-140.9	96.4	-176.3	0	0	0	0	0	110.6	D186	D186-G188 PolarHBondContact O-N 3.23Å
189	L	36.8	Very low	54.8	Low	147 Å²	147	86.4 Å²	86.4	77%	0.77	47%	0.471	S	S	*	.	S	Bend	trans	-177.2	132.9	155	-96.6	147.5	0	0	0	106.7	S191	L189-S191 PolarHBondContact O-N 2.92Å
190	S	39.1	Very low	53.8	Low	107 Å²	107	84.9 Å²	84.9	75%	0.748	47%	0.466	S	S	*	.			trans	-43.2	101.6	163.5	51.1	0	0	0	0	109.7	R192	S190-R192 PolarHBondContact O-N 3.23Å; S190-R192 VanDerWaalsContact O-N 3.11Å
191	S	43.3	Very low	53	Low	56 Å²	56	89.1 Å²	89.1	39%	0.392	49%	0.488	S	S	.	.			trans	-56.1	120.5	177.3	166.3	0	0	0	0	108.1	L189 F193	L189-S191 PolarHBondContact O-N 2.92Å; S191-F193 PolarHBondContact O-N 3.03Å; S191-F193 WeakPolarHBondContact OG-CA 3.49Å; S191-F193 PolarHBondContact OG-N 3.3Å; S191-F193 PolarHBondContact OG-O 3.17Å
192	R	47.3	Very low	52.8	Low	229 Å²	229	88.7 Å²	88.7	86%	0.864	49%	0.486	S	S	*	.	S	Bend	trans	-63.6	-1.4	167.8	-71.2	-173.6	-179.7	-178.2	1.3	112.1	S190	S190-R192 PolarHBondContact O-N 3.23Å; S190-R192 VanDerWaalsContact O-N 3.11Å
193	F	48.5	Very low	52.7	Low	96 Å²	96	91.5 Å²	91.5	42%	0.421	50%	0.503	S	S	.	.			trans	-131.1	65.3	-175.1	-50.3	-76.4	0	0	0	111.9	S191 K195 L196	S191-F193 PolarHBondContact O-N 3.03Å; S191-F193 WeakPolarHBondContact OG-CA 3.49Å; S191-F193 PolarHBondContact OG-N 3.3Å; S191-F193 PolarHBondContact OG-O 3.17Å; F193-K195 PolarHBondContact O-N 3.12Å; F193-L196 HydrophobicContact CB-CB 4.32Å; F193-L196 HydrophobicContact CB-CD1 3.41Å; F193-L196 VanDerWaalsContact CB-CD1 3.41Å; F193-L196 HydrophobicContact CB-CG 3.77Å; F193-L196 HydrophobicContact CD1-CD1 4.32Å; F193-L196 HydrophobicContact CG-CD1 3.88Å; F193-L196 PolarHBondContact O-N 3.37Å; F193-L196 VanDerWaalsContact O-N 3.15Å
194	P	42.6	Very low	52.9	Low	111 Å²	111	91.5 Å²	91.5	72%	0.721	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.2	-174.6	24.9	-34	0	0	0	114.9
195	K	44	Very low	53.6	Low	202 Å²	202	89.7 Å²	89.7	88%	0.878	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	6.5	177.9	-68.8	-174.5	177	-179.4	0	114.3	F193	F193-K195 PolarHBondContact O-N 3.12Å
196	L	47.1	Very low	54.6	Low	45 Å²	45	88.7 Å²	88.7	24%	0.236	49%	0.489	C	S	.	.			trans	-101.8	2.5	-174	-64	-173.7	0	0	0	115	I180 C182 F193 E198	I180-L196 WeakPolarHBondContact O-CD2 3.49Å; C182-L196 HydrophobicContact CB-CD1 3.82Å; F193-L196 HydrophobicContact CB-CB 4.32Å; F193-L196 HydrophobicContact CB-CD1 3.41Å; F193-L196 VanDerWaalsContact CB-CD1 3.41Å; F193-L196 HydrophobicContact CB-CG 3.77Å; F193-L196 HydrophobicContact CD1-CD1 4.32Å; F193-L196 HydrophobicContact CG-CD1 3.88Å; F193-L196 PolarHBondContact O-N 3.37Å; F193-L196 VanDerWaalsContact O-N 3.15Å; L196-E198 PolarHBondContact O-N 3.12Å
197	E	42.4	Very low	55.6	Low	126 Å²	126	84.7 Å²	84.7	59%	0.589	47%	0.467	S	S	*	.			trans	-96.1	85.1	-179.1	-64.9	-168.5	174.1	0	0	112.1
198	E	53.1	Low	57.5	Low	129 Å²	129	79.5 Å²	79.5	60%	0.603	43%	0.428	S	S	*	.	S	Bend	trans	-135.5	139.6	161.5	-80.4	-174.5	173.8	0	0	109.3	K181 L196 T200	K181-E198 IonicContact NZ-OE2 2.79Å; L196-E198 PolarHBondContact O-N 3.12Å; E198-T200 PolarHBondContact O-N 3.45Å; E198-T200 PolarHBondContact O-OG1 2.78Å
199	P	49	Very low	59.9	Low	112 Å²	112	76.9 Å²	76.9	73%	0.727	40%	0.401	S	S	*	.			trans	-62.8	111.3	-167.5	26.9	-33.2	0	0	0	109.5
200	T	53.9	Low	62.3	Low	19 Å²	19	70.1 Å²	70.1	12%	0.117	37%	0.366	C	S	.	.			trans	-113.5	113.8	171.6	-48.3	0	0	0	0	106.2	Y169 K181 E198 L202 I224 F226	Y169-T200 HydrophobicContact CE2-CG2 3.71Å; Y169-T200 PolarHBondContact OH-OG1 3.17Å; K181-T200 WeakPolarHBondContact CD-OG1 3.27Å; E198-T200 PolarHBondContact O-N 3.45Å; E198-T200 PolarHBondContact O-OG1 2.78Å; T200-L202 PolarHBondContact O-N 3.25Å; T200-I224 HydrophobicContact CG2-CD1 4.35Å; T200-F226 HydrophobicContact CG2-CZ 4Å
201	I	58.7	Low	64.4	Low	107 Å²	107	65.7 Å²	65.7	55%	0.549	33%	0.334	S	S	.	.			trans	-58.9	106.3	170.7	-74.9	171.4	0	0	0	106.9	P9 T203	P9-I201 HydrophobicContact CG-CB 4.04Å; P9-I201 HydrophobicContact CG-CD1 3.71Å; P9-I201 HydrophobicContact CG-CG1 3.52Å; P9-I201 HydrophobicContact CG-CG2 3.51Å; I201-T203 HydrophobicContact CG2-CG2 3.52Å
202	L	70.7	Confident	66.5	Low	6 Å²	6	64.3 Å²	64.3	3%	0.031	32%	0.32	C	S	.	.			trans	-79.5	125.8	172.7	-169	65.8	0	0	0	107.8	R7 I183 T200 P206 A207 L210 V222 I224	R7-L202 PolarHBondContact O-N 2.98Å; I183-L202 HydrophobicContact CD1-CB 4.18Å; I183-L202 HydrophobicContact CD1-CD2 4.34Å; T200-L202 PolarHBondContact O-N 3.25Å; L202-P206 HydrophobicContact CD1-CB 3.92Å; L202-P206 HydrophobicContact CD2-CB 4.29Å; L202-P206 HydrophobicContact CG-CB 4.28Å; L202-A207 HydrophobicContact CB-CB 4.36Å; L202-A207 HydrophobicContact CD2-CB 4.27Å; L202-A207 HydrophobicContact CG-CB 3.95Å; L202-A207 WeakPolarHBondContact O-CB 3.4Å; L202-L210 HydrophobicContact CD2-CB 4.21Å; L202-L210 HydrophobicContact CD2-CD2 3.66Å; L202-V222 HydrophobicContact CD1-CG1 4.32Å; L202-V222 HydrophobicContact CD2-CB 4.45Å; L202-V222 HydrophobicContact CD2-CG1 3.99Å; L202-V222 HydrophobicContact CD2-CG2 4.17Å; L202-I224 HydrophobicContact CD1-CD1 3.69Å; L202-I224 HydrophobicContact CD1-CG1 4.29Å
203	T	72.6	Confident	68.4	Low	78 Å²	78	53.4 Å²	53.4	48%	0.479	28%	0.279	S	S	.	.			trans	-134.9	167.8	178	54.4	0	0	0	0	110.1	I201	I201-T203 HydrophobicContact CG2-CG2 3.52Å
204	G	79.3	Confident	70	Confident	16 Å²	16	52.8 Å²	52.8	17%	0.165	27%	0.274	C	S	.	.	S	Bend	trans	80.4	-161.4	178.8	0	0	0	0	0	112.9	L126 P206 A207 E208	L126-G204 VanDerWaalsContact CD2-CA 3.4Å; G204-P206 VanDerWaalsContact C-N 3.34Å; G204-A207 WeakPolarHBondContact O-CB 3.35Å; G204-A207 PolarHBondContact O-N 2.76Å; G204-E208 PolarHBondContact O-N 2.85Å
205	L	86.1	Confident	71.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.1	-37.1	-179.5	-64.2	170.2	0	0	0	114.5	I70 L101 I119 E122 L126 L134 A207 E208 A209	I70-L205 HydrophobicContact CD1-CB 4.06Å; L101-L205 HydrophobicContact CD1-CD1 3.84Å; L101-L205 HydrophobicContact CD2-CD2 4.5Å; I119-L205 HydrophobicContact CD1-CD1 3.96Å; I119-L205 HydrophobicContact CG2-CD1 3.88Å; E122-L205 HydrophobicContact CG-CD1 3.92Å; E122-L205 HydrophobicContact CG-CG 4.44Å; E122-L205 PolarHBondContact OE1-N 2.76Å; L126-L205 HydrophobicContact CD1-CD1 4.34Å; L126-L205 HydrophobicContact CD1-CD2 3.65Å; L126-L205 HydrophobicContact CD1-CG 3.76Å; L126-L205 HydrophobicContact CD2-CD2 4.39Å; L126-L205 HydrophobicContact CD2-CG 4.26Å; L134-L205 HydrophobicContact CB-CD2 4.39Å; L134-L205 HydrophobicContact CD2-CB 4.19Å; L134-L205 HydrophobicContact CD2-CD2 3.75Å; L205-A207 VanDerWaalsContact C-N 3.28Å; L205-A207 PolarHBondContact O-N 2.8Å; L205-E208 PolarHBondContact O-N 3.01Å; L205-A209 PolarHBondContact O-N 2.97Å
206	P	86.4	Confident	73.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-35.5	175.8	-23.2	33.2	0	0	0	113.3	I70 V160 C162 L202 G204 L210	I70-P206 HydrophobicContact CB-CG 4.44Å; I70-P206 HydrophobicContact CD1-CB 4.15Å; I70-P206 HydrophobicContact CD1-CG 3.73Å; I70-P206 HydrophobicContact CG2-CG 4.28Å; V160-P206 HydrophobicContact CG1-CB 4.24Å; C162-P206 HydrophobicContact CB-CB 4.17Å; C162-P206 HydrophobicContact CB-CG 3.57Å; L202-P206 HydrophobicContact CD1-CB 3.92Å; L202-P206 HydrophobicContact CD2-CB 4.29Å; L202-P206 HydrophobicContact CG-CB 4.28Å; G204-P206 VanDerWaalsContact C-N 3.34Å; P206-L210 VanDerWaalsContact O-CB 3.32Å; P206-L210 WeakPolarHBondContact O-CB 3.4Å; P206-L210 PolarHBondContact O-N 2.82Å
207	A	83	Confident	75.2	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-41.9	177	0	0	0	0	0	111.3	I8 L202 G204 L205 L210 N211	I8-A207 HydrophobicContact CG2-CB 4.38Å; L202-A207 HydrophobicContact CB-CB 4.36Å; L202-A207 HydrophobicContact CD2-CB 4.27Å; L202-A207 HydrophobicContact CG-CB 3.95Å; L202-A207 WeakPolarHBondContact O-CB 3.4Å; G204-A207 WeakPolarHBondContact O-CB 3.35Å; G204-A207 PolarHBondContact O-N 2.76Å; L205-A207 VanDerWaalsContact C-N 3.28Å; L205-A207 PolarHBondContact O-N 2.8Å; A207-L210 PolarHBondContact O-N 2.82Å; A207-N211 WeakPolarHBondContact O-CB 3.49Å; A207-N211 PolarHBondContact O-N 3.06Å; A207-N211 PolarHBondContact O-ND2 3.42Å
208	E	85.8	Confident	77.1	Confident	28 Å²	28	44.9 Å²	44.9	13%	0.131	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-40.6	177.8	-56	-55.3	162.6	0	0	111.8	K131 L134 G204 L205 N211 W212	K131-E208 HydrophobicContact CB-CG 4.04Å; K131-E208 HydrophobicContact CD-CG 4.03Å; K131-E208 VanDerWaalsContact CD-OE1 3.28Å; K131-E208 WeakPolarHBondContact CD-OE1 3.35Å; K131-E208 VanDerWaalsContact CE-OE1 3.25Å; K131-E208 WeakPolarHBondContact CE-OE1 3.02Å; K131-E208 HydrophobicContact CG-CG 3.86Å; K131-E208 IonicContact NZ-OE1 3.84Å; K131-E208 PolarHBondContact NZ-OE1 2.96Å; L134-E208 HydrophobicContact CD2-CB 4.46Å; G204-E208 PolarHBondContact O-N 2.85Å; L205-E208 PolarHBondContact O-N 3.01Å; E208-N211 PolarHBondContact O-N 2.72Å; E208-W212 WeakPolarHBondContact O-CB 3.29Å; E208-W212 PolarHBondContact O-N 2.94Å
209	A	88.2	Confident	78.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-49.8	173.3	0	0	0	0	0	111.7	L68 F138 V160 L205 N211 W212 F213	L68-A209 HydrophobicContact CD2-CB 3.36Å; F138-A209 HydrophobicContact CE2-CB 3.92Å; F138-A209 HydrophobicContact CZ-CB 4.02Å; V160-A209 HydrophobicContact CG2-CB 4.3Å; L205-A209 PolarHBondContact O-N 2.97Å; A209-N211 VanDerWaalsContact C-N 3.3Å; A209-N211 PolarHBondContact O-N 3.48Å; A209-W212 PolarHBondContact O-N 3.23Å; A209-F213 HydrophobicContact CB-CD2 4.43Å; A209-F213 HydrophobicContact CB-CE2 4.28Å; A209-F213 WeakPolarHBondContact O-CD2 3.45Å; A209-F213 PolarHBondContact O-N 3.35Å
210	L	87	Confident	80.2	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-55.3	-47.1	176.4	174.6	64.6	0	0	0	111.5	F4 I8 I183 T185 L202 P206 A207 Y214 V220 V222	F4-L210 HydrophobicContact CE1-CG 4.48Å; F4-L210 HydrophobicContact CZ-CG 4.35Å; I8-L210 HydrophobicContact CD1-CD2 3.65Å; I8-L210 HydrophobicContact CD1-CG 4.29Å; I183-L210 HydrophobicContact CG2-CD2 4.38Å; T185-L210 HydrophobicContact CG2-CD1 3.53Å; L202-L210 HydrophobicContact CD2-CB 4.21Å; L202-L210 HydrophobicContact CD2-CD2 3.66Å; P206-L210 VanDerWaalsContact O-CB 3.32Å; P206-L210 WeakPolarHBondContact O-CB 3.4Å; P206-L210 PolarHBondContact O-N 2.82Å; A207-L210 PolarHBondContact O-N 2.82Å; L210-Y214 WeakPolarHBondContact O-CB 3.43Å; L210-Y214 PolarHBondContact O-N 3.32Å; L210-V220 HydrophobicContact CD1-CG1 3.65Å; L210-V220 HydrophobicContact CD1-CG2 4.23Å; L210-V222 HydrophobicContact CB-CG2 3.82Å; L210-V222 HydrophobicContact CD1-CG2 3.73Å; L210-V222 HydrophobicContact CD2-CG2 4.04Å; L210-V222 HydrophobicContact CG-CG2 4.06Å
211	N	83.5	Confident	81.7	Confident	15 Å²	15	35.5 Å²	35.5	8%	0.08	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-49.8	177.6	-75.2	-23.3	0	0	0	111.4	F4 I8 A207 E208 A209 F213 Y214 F215	F4-N211 WeakPolarHBondContact CE1-OD1 3.38Å; I8-N211 WeakPolarHBondContact CD1-OD1 3.31Å; A207-N211 WeakPolarHBondContact O-CB 3.49Å; A207-N211 PolarHBondContact O-N 3.06Å; A207-N211 PolarHBondContact O-ND2 3.42Å; E208-N211 PolarHBondContact O-N 2.72Å; A209-N211 VanDerWaalsContact C-N 3.3Å; A209-N211 PolarHBondContact O-N 3.48Å; N211-F213 PolarHBondContact O-N 3.12Å; N211-Y214 PolarHBondContact O-N 3.32Å; N211-F215 HydrophobicContact CB-CD2 4.45Å; N211-F215 WeakPolarHBondContact O-CB 3.28Å; N211-F215 WeakPolarHBondContact O-CD2 3.16Å; N211-F215 PolarHBondContact O-N 3.44Å
212	W	87	Confident	83	Confident	27 Å²	27	30.4 Å²	30.4	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-49.3	-177.1	-169.8	96.9	0	0	0	111.3	F138 Q139 F142 F148 E208 A209 Y214 F215 K216 L218	F138-W212 HydrophobicContact CB-CD2 3.78Å; F138-W212 HydrophobicContact CB-CE3 3.91Å; F138-W212 HydrophobicContact CB-CG 4.46Å; F138-W212 HydrophobicContact CB-CH2 3.89Å; F138-W212 HydrophobicContact CB-CZ2 3.72Å; F138-W212 HydrophobicContact CB-CZ3 3.97Å; F138-W212 HydrophobicContact CD2-CB 4.23Å; F138-W212 AromaticContact CD2-CD2 3.97Å; F138-W212 HydrophobicContact CD2-CD2 3.97Å; F138-W212 HydrophobicContact CD2-CE3 4.17Å; F138-W212 AromaticContact CD2-CG 3.98Å; F138-W212 HydrophobicContact CD2-CG 3.98Å; F138-W212 HydrophobicContact CG-CD2 4.27Å; F138-W212 HydrophobicContact CG-CE3 4.27Å; Q139-W212 HydrophobicContact CB-CZ2 4.35Å; F142-W212 HydrophobicContact CB-CH2 4.03Å; F142-W212 AromaticContact CD2-CH2 3.49Å; F142-W212 HydrophobicContact CD2-CH2 3.49Å; F142-W212 VanDerWaalsContact CD2-CH2 3.49Å; F142-W212 AromaticContact CD2-CZ3 3.6Å; F142-W212 HydrophobicContact CD2-CZ3 3.6Å; F142-W212 HydrophobicContact CE2-CH2 4.36Å; F142-W212 HydrophobicContact CE2-CZ3 4.04Å; F142-W212 HydrophobicContact CG-CH2 4.08Å; F142-W212 HydrophobicContact CG-CZ3 4.37Å; F148-W212 AromaticContact CE2-CH2 3.86Å; F148-W212 HydrophobicContact CE2-CH2 3.86Å; F148-W212 AromaticContact CZ-CH2 3.63Å; F148-W212 HydrophobicContact CZ-CH2 3.63Å; F148-W212 HydrophobicContact CZ-CZ2 4.1Å; E208-W212 WeakPolarHBondContact O-CB 3.29Å; E208-W212 PolarHBondContact O-N 2.94Å; A209-W212 PolarHBondContact O-N 3.23Å; W212-Y214 PolarHBondContact O-N 2.93Å; W212-F215 PolarHBondContact O-N 3.4Å; W212-K216 HydrophobicContact CD2-CG 4.14Å; W212-K216 HydrophobicContact CE3-CG 4.03Å; W212-K216 HydrophobicContact CH2-CG 3.85Å; W212-K216 HydrophobicContact CZ2-CD 4.46Å; W212-K216 HydrophobicContact CZ2-CG 3.97Å; W212-K216 HydrophobicContact CZ3-CB 4.37Å; W212-K216 HydrophobicContact CZ3-CG 3.88Å; W212-K216 WeakPolarHBondContact O-CG 3.41Å; W212-K216 PolarHBondContact O-N 3.11Å; W212-K216 VanDerWaalsContact O-N 3.08Å; W212-L218 HydrophobicContact CZ3-CD1 4.19Å
213	F	87.2	Confident	83.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-41.4	178.8	-70.6	-59.6	0	0	0	112.2	V66 F138 F142 I158 A209 N211 K216 S217 L218 V220	V66-F213 HydrophobicContact CG1-CZ 4.4Å; F138-F213 HydrophobicContact CD1-CZ 4.21Å; F138-F213 HydrophobicContact CE1-CE2 4.36Å; F138-F213 HydrophobicContact CE1-CZ 4.04Å; F138-F213 HydrophobicContact CE2-CE2 4.26Å; F138-F213 HydrophobicContact CE2-CZ 4.47Å; F138-F213 HydrophobicContact CZ-CE2 4.05Å; F138-F213 HydrophobicContact CZ-CZ 4.18Å; F142-F213 HydrophobicContact CD2-CE1 4.38Å; F142-F213 AromaticContact CE2-CE1 3.53Å; F142-F213 HydrophobicContact CE2-CE1 3.53Å; F142-F213 AromaticContact CE2-CZ 3.96Å; F142-F213 HydrophobicContact CE2-CZ 3.96Å; F142-F213 AromaticContact CZ-CE1 3.77Å; F142-F213 HydrophobicContact CZ-CE1 3.77Å; F142-F213 HydrophobicContact CZ-CZ 4.23Å; I158-F213 HydrophobicContact CD1-CB 4.15Å; I158-F213 HydrophobicContact CD1-CD1 3.33Å; I158-F213 HydrophobicContact CD1-CE1 3.78Å; I158-F213 HydrophobicContact CD1-CG 3.78Å; I158-F213 HydrophobicContact CG1-CD1 4.11Å; I158-F213 HydrophobicContact CG1-CE1 4.11Å; I158-F213 HydrophobicContact CG2-CD1 4.31Å; I158-F213 HydrophobicContact CG2-CD2 3.67Å; I158-F213 HydrophobicContact CG2-CE1 4.21Å; I158-F213 HydrophobicContact CG2-CE2 3.58Å; I158-F213 HydrophobicContact CG2-CG 4.07Å; I158-F213 HydrophobicContact CG2-CZ 3.86Å; A209-F213 HydrophobicContact CB-CD2 4.43Å; A209-F213 HydrophobicContact CB-CE2 4.28Å; A209-F213 WeakPolarHBondContact O-CD2 3.45Å; A209-F213 PolarHBondContact O-N 3.35Å; N211-F213 PolarHBondContact O-N 3.12Å; F213-K216 CarbonylContact O-C 3.53Å; F213-K216 PolarHBondContact O-N 2.98Å; F213-S217 PolarHBondContact O-N 2.94Å; F213-L218 HydrophobicContact CB-CB 4.41Å; F213-L218 HydrophobicContact CD1-CB 4.42Å; F213-L218 HydrophobicContact CD1-CD1 3.79Å; F213-L218 HydrophobicContact CE1-CD1 4.39Å; F213-L218 PolarHBondContact O-N 3.27Å; F213-V220 HydrophobicContact CB-CB 3.88Å; F213-V220 HydrophobicContact CB-CG1 3.8Å; F213-V220 HydrophobicContact CB-CG2 4.22Å; F213-V220 HydrophobicContact CD2-CG2 4.16Å; F213-V220 HydrophobicContact CG-CB 4.5Å; F213-V220 HydrophobicContact CG-CG2 4.5Å
214	Y	81.7	Confident	84.2	Confident	82 Å²	82	28 Å²	28	32%	0.322	14%	0.142	S	C	.	.	H	α-helix	trans	-60.7	-46.3	175.9	178.5	-102.2	0	0	0	112.5	F4 T185 L210 N211 W212 K216 S217	F4-Y214 HydrophobicContact CD1-CD1 4.35Å; F4-Y214 HydrophobicContact CD2-CD1 4.01Å; F4-Y214 HydrophobicContact CD2-CD2 4.27Å; F4-Y214 AromaticContact CD2-CE1 3.64Å; F4-Y214 HydrophobicContact CD2-CE1 3.64Å; F4-Y214 AromaticContact CD2-CE2 3.94Å; F4-Y214 HydrophobicContact CD2-CE2 3.94Å; F4-Y214 HydrophobicContact CD2-CG 4.29Å; F4-Y214 AromaticContact CD2-CZ 3.59Å; F4-Y214 AromaticContact CE1-CD1 3.85Å; F4-Y214 HydrophobicContact CE1-CD1 3.85Å; F4-Y214 HydrophobicContact CE1-CE1 4.42Å; F4-Y214 AromaticContact CE1-CG 3.96Å; F4-Y214 HydrophobicContact CE1-CG 3.96Å; F4-Y214 AromaticContact CE2-CD1 3.49Å; F4-Y214 HydrophobicContact CE2-CD1 3.49Å; F4-Y214 VanDerWaalsContact CE2-CD1 3.49Å; F4-Y214 AromaticContact CE2-CD2 3.25Å; F4-Y214 HydrophobicContact CE2-CD2 3.25Å; F4-Y214 AromaticContact CE2-CE1 3.51Å; F4-Y214 HydrophobicContact CE2-CE1 3.51Å; F4-Y214 AromaticContact CE2-CE2 3.28Å; F4-Y214 HydrophobicContact CE2-CE2 3.28Å; F4-Y214 AromaticContact CE2-CG 3.34Å; F4-Y214 HydrophobicContact CE2-CG 3.34Å; F4-Y214 AromaticContact CE2-CZ 3.4Å; F4-Y214 HydrophobicContact CG-CD1 4.44Å; F4-Y214 HydrophobicContact CG-CE1 4.2Å; F4-Y214 VanDerWaalsContact CZ-CB 3.48Å; F4-Y214 AromaticContact CZ-CD1 3.41Å; F4-Y214 HydrophobicContact CZ-CD1 3.41Å; F4-Y214 VanDerWaalsContact CZ-CD1 3.41Å; F4-Y214 AromaticContact CZ-CD2 3.48Å; F4-Y214 HydrophobicContact CZ-CD2 3.48Å; F4-Y214 VanDerWaalsContact CZ-CD2 3.48Å; F4-Y214 AromaticContact CZ-CE1 3.94Å; F4-Y214 HydrophobicContact CZ-CE1 3.94Å; F4-Y214 HydrophobicContact CZ-CE2 4.01Å; F4-Y214 AromaticContact CZ-CG 3.13Å; F4-Y214 HydrophobicContact CZ-CG 3.13Å; T185-Y214 HydrophobicContact CG2-CD2 3.99Å; L210-Y214 WeakPolarHBondContact O-CB 3.43Å; L210-Y214 PolarHBondContact O-N 3.32Å; N211-Y214 PolarHBondContact O-N 3.32Å; W212-Y214 PolarHBondContact O-N 2.93Å; Y214-K216 PolarHBondContact O-N 2.93Å; Y214-S217 WeakPolarHBondContact O-CA 3.45Å; Y214-S217 PolarHBondContact O-N 3.37Å
215	F	81.8	Confident	84.4	Confident	134 Å²	134	27.3 Å²	27.3	59%	0.588	14%	0.135	S	C	*	.	H	α-helix	trans	-68.8	-20.6	178.4	-81.1	-60.7	0	0	0	113.8	F11 N211 W212 S217	F11-F215 AromaticContact CE1-CZ 3.85Å; F11-F215 HydrophobicContact CE1-CZ 3.85Å; F11-F215 HydrophobicContact CE2-CE2 4.26Å; F11-F215 HydrophobicContact CE2-CZ 4.31Å; F11-F215 HydrophobicContact CZ-CE1 4.33Å; F11-F215 AromaticContact CZ-CE2 3.66Å; F11-F215 HydrophobicContact CZ-CE2 3.66Å; F11-F215 AromaticContact CZ-CZ 3.3Å; F11-F215 HydrophobicContact CZ-CZ 3.3Å; N211-F215 HydrophobicContact CB-CD2 4.45Å; N211-F215 WeakPolarHBondContact O-CB 3.28Å; N211-F215 WeakPolarHBondContact O-CD2 3.16Å; N211-F215 PolarHBondContact O-N 3.44Å; W212-F215 PolarHBondContact O-N 3.4Å; F215-S217 VanDerWaalsContact C-N 3.27Å
216	K	81.9	Confident	84	Confident	80 Å²	80	27.6 Å²	27.6	35%	0.348	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.9	169.8	-64.7	-62.2	-172.3	172.3	0	113	F148 W212 F213 Y214 L218	F148-K216 HydrophobicContact CE2-CD 4.49Å; F148-K216 HydrophobicContact CE2-CG 4.5Å; F148-K216 HydrophobicContact CZ-CD 3.79Å; F148-K216 HydrophobicContact CZ-CG 4.13Å; W212-K216 HydrophobicContact CD2-CG 4.14Å; W212-K216 HydrophobicContact CE3-CG 4.03Å; W212-K216 HydrophobicContact CH2-CG 3.85Å; W212-K216 HydrophobicContact CZ2-CD 4.46Å; W212-K216 HydrophobicContact CZ2-CG 3.97Å; W212-K216 HydrophobicContact CZ3-CB 4.37Å; W212-K216 HydrophobicContact CZ3-CG 3.88Å; W212-K216 WeakPolarHBondContact O-CG 3.41Å; W212-K216 PolarHBondContact O-N 3.11Å; W212-K216 VanDerWaalsContact O-N 3.08Å; F213-K216 CarbonylContact O-C 3.53Å; F213-K216 PolarHBondContact O-N 2.98Å; Y214-K216 PolarHBondContact O-N 2.93Å; K216-L218 HydrophobicContact CB-CD1 3.97Å; K216-L218 HydrophobicContact CB-CG 4.04Å; K216-L218 PolarHBondContact O-N 3.02Å
217	S	79.9	Confident	83.5	Confident	93 Å²	93	28.4 Å²	28.4	65%	0.65	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	32.8	-179.1	-56	0	0	0	0	113.5	I153 F213 Y214 F215	I153-S217 WeakPolarHBondContact CD1-O 3.14Å; F213-S217 PolarHBondContact O-N 2.94Å; Y214-S217 WeakPolarHBondContact O-CA 3.45Å; Y214-S217 PolarHBondContact O-N 3.37Å; F215-S217 VanDerWaalsContact C-N 3.27Å
218	L	81.7	Confident	83	Confident	11 Å²	11	29.5 Å²	29.5	6%	0.058	14%	0.144	C	C	.	.			trans	-97.6	142.3	179.6	-61.2	172.7	0	0	0	111	F148 I153 I155 I158 W212 F213 K216 V220	F148-L218 HydrophobicContact CE2-CD1 4.36Å; I153-L218 HydrophobicContact CD1-CD2 4.43Å; I153-L218 HydrophobicContact CG1-CD2 4.38Å; I153-L218 HydrophobicContact CG2-CD2 3.63Å; I155-L218 HydrophobicContact CB-CD2 4.32Å; I155-L218 HydrophobicContact CD1-CD1 4.02Å; I155-L218 HydrophobicContact CD1-CD2 4.05Å; I158-L218 HydrophobicContact CD1-CB 3.4Å; I158-L218 VanDerWaalsContact CD1-CB 3.4Å; I158-L218 HydrophobicContact CD1-CD1 4.06Å; I158-L218 HydrophobicContact CD1-CG 4.29Å; W212-L218 HydrophobicContact CZ3-CD1 4.19Å; F213-L218 HydrophobicContact CB-CB 4.41Å; F213-L218 HydrophobicContact CD1-CB 4.42Å; F213-L218 HydrophobicContact CD1-CD1 3.79Å; F213-L218 HydrophobicContact CE1-CD1 4.39Å; F213-L218 PolarHBondContact O-N 3.27Å; K216-L218 HydrophobicContact CB-CD1 3.97Å; K216-L218 HydrophobicContact CB-CG 4.04Å; K216-L218 PolarHBondContact O-N 3.02Å; L218-V220 PolarHBondContact O-N 2.9Å
219	P	83.4	Confident	82.1	Confident	31 Å²	31	29 Å²	29	20%	0.201	14%	0.144	C	C	.	.			trans	-71	113.5	-179.4	28.3	-33.5	0	0	0	110.4	K156 I158	K156-P219 VanDerWaalsContact O-CG 3.24Å; K156-P219 WeakPolarHBondContact O-CG 3.3Å; I158-P219 WeakPolarHBondContact CB-O 3.28Å; I158-P219 PolarHBondContact N-O 3.44Å
220	V	85	Confident	81	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.8	-175.7	58.6	0	0	0	0	112.6	I158 V160 T185 L210 F213 L218	I158-V220 HydrophobicContact CB-CB 4.07Å; I158-V220 HydrophobicContact CB-CG2 4.15Å; I158-V220 HydrophobicContact CG2-CB 4.27Å; I158-V220 HydrophobicContact CG2-CG2 3.82Å; I158-V220 CarbonylContact O-C 3.55Å; I158-V220 WeakPolarHBondContact O-CA 3.4Å; V160-V220 HydrophobicContact CG2-CG2 3.93Å; T185-V220 HydrophobicContact CG2-CG1 3.36Å; T185-V220 WeakPolarHBondContact CG2-O 3.25Å; T185-V220 PolarHBondContact N-O 3.42Å; T185-V220 VanDerWaalsContact N-O 3.14Å; T185-V220 PolarHBondContact OG1-N 2.93Å; T185-V220 VanDerWaalsContact OG1-N 3.14Å; T185-V220 PolarHBondContact OG1-O 3.17Å; L210-V220 HydrophobicContact CD1-CG1 3.65Å; L210-V220 HydrophobicContact CD1-CG2 4.23Å; F213-V220 HydrophobicContact CB-CB 3.88Å; F213-V220 HydrophobicContact CB-CG1 3.8Å; F213-V220 HydrophobicContact CB-CG2 4.22Å; F213-V220 HydrophobicContact CD2-CG2 4.16Å; F213-V220 HydrophobicContact CG-CB 4.5Å; F213-V220 HydrophobicContact CG-CG2 4.5Å; L218-V220 PolarHBondContact O-N 2.9Å
221	N	85.4	Confident	79.6	Confident	33 Å²	33	38.1 Å²	38.1	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.6	172.8	-64	-60.2	0	0	0	109.4	I158 N159 V160 P184 Y223	I158-N221 PolarHBondContact O-N 2.94Å; N159-N221 WeakPolarHBondContact CA-O 2.84Å; V160-N221 PolarHBondContact N-O 2.91Å; P184-N221 WeakPolarHBondContact CA-OD1 3.28Å; P184-N221 WeakPolarHBondContact CB-OD1 3.32Å; N221-Y223 HydrophobicContact CB-CD2 4.39Å; N221-Y223 HydrophobicContact CB-CE2 3.55Å
222	V	86.3	Confident	78.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.4	174.1	-176.3	0	0	0	0	109.5	V160 C182 I183 L202 L210 I224	V160-V222 HydrophobicContact CB-CB 4.37Å; V160-V222 HydrophobicContact CB-CG1 4.27Å; V160-V222 HydrophobicContact CB-CG2 4Å; V160-V222 HydrophobicContact CG1-CG1 4.26Å; V160-V222 HydrophobicContact CG2-CG2 4.33Å; V160-V222 CarbonylContact O-C 3.56Å; V160-V222 WeakPolarHBondContact O-CA 3.14Å; C182-V222 CarbonylContact C-O 3.55Å; C182-V222 VanDerWaalsContact CA-O 3.29Å; C182-V222 WeakPolarHBondContact CA-O 3.37Å; I183-V222 HydrophobicContact CB-CB 4.27Å; I183-V222 PolarHBondContact N-O 3.34Å; I183-V222 PolarHBondContact O-N 3.48Å; L202-V222 HydrophobicContact CD1-CG1 4.32Å; L202-V222 HydrophobicContact CD2-CB 4.45Å; L202-V222 HydrophobicContact CD2-CG1 3.99Å; L202-V222 HydrophobicContact CD2-CG2 4.17Å; L210-V222 HydrophobicContact CB-CG2 3.82Å; L210-V222 HydrophobicContact CD1-CG2 3.73Å; L210-V222 HydrophobicContact CD2-CG2 4.04Å; L210-V222 HydrophobicContact CG-CG2 4.06Å; V222-I224 HydrophobicContact CG1-CG1 4.1Å
223	Y	85.3	Confident	76.3	Confident	30 Å²	30	48 Å²	48	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.8	174.6	-55.2	-91.2	0	0	0	109.6	N159 V160 L161 C162 K181 C182 N221 V249	N159-Y223 HydrophobicContact CB-CE2 4.21Å; N159-Y223 WeakPolarHBondContact OD1-CE2 3.39Å; V160-Y223 PolarHBondContact O-N 3.14Å; L161-Y223 WeakPolarHBondContact CA-O 3.28Å; L161-Y223 HydrophobicContact CD2-CD2 3.7Å; L161-Y223 HydrophobicContact CD2-CG 4Å; C162-Y223 PolarHBondContact N-O 3.3Å; K181-Y223 CarbonylContact O-C 3.56Å; K181-Y223 VanDerWaalsContact O-CA 3.31Å; K181-Y223 WeakPolarHBondContact O-CA 3.05Å; C182-Y223 HydrophobicContact CB-CD1 4.03Å; C182-Y223 HydrophobicContact CB-CE1 4.12Å; N221-Y223 HydrophobicContact CB-CD2 4.39Å; N221-Y223 HydrophobicContact CB-CE2 3.55Å; Y223-V249 HydrophobicContact CD1-CB 4.18Å; Y223-V249 HydrophobicContact CD1-CG1 3.3Å; Y223-V249 HydrophobicContact CD1-CG2 3.76Å; Y223-V249 HydrophobicContact CD2-CG1 3.89Å; Y223-V249 HydrophobicContact CE1-CB 4.47Å; Y223-V249 HydrophobicContact CE1-CG1 3.62Å; Y223-V249 HydrophobicContact CE1-CG2 4.22Å; Y223-V249 HydrophobicContact CE2-CG1 4.17Å; Y223-V249 HydrophobicContact CG-CG1 3.43Å; Y223-V249 VanDerWaalsContact CG-CG1 3.43Å; Y223-V249 HydrophobicContact CG-CG2 4.49Å
224	I	83.4	Confident	75.2	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.3	-177.3	-44.2	174.7	0	0	0	108.6	C162 R164 I180 K181 I183 T200 L202 V222 F226	C162-I224 CarbonylContact O-C 3.54Å; C162-I224 WeakPolarHBondContact O-CA 3.39Å; R164-I224 HydrophobicContact CB-CG2 4.29Å; R164-I224 HydrophobicContact CG-CG2 3.9Å; I180-I224 CarbonylContact C-O 3.51Å; I180-I224 VanDerWaalsContact CA-O 3.26Å; I180-I224 WeakPolarHBondContact CA-O 3.22Å; K181-I224 HydrophobicContact CB-CB 4.5Å; K181-I224 PolarHBondContact N-O 3.43Å; K181-I224 PolarHBondContact O-N 3.24Å; I183-I224 HydrophobicContact CD1-CD1 3.95Å; T200-I224 HydrophobicContact CG2-CD1 4.35Å; L202-I224 HydrophobicContact CD1-CD1 3.69Å; L202-I224 HydrophobicContact CD1-CG1 4.29Å; V222-I224 HydrophobicContact CG1-CG1 4.1Å; I224-F226 HydrophobicContact CB-CD2 4.39Å; I224-F226 HydrophobicContact CB-CE2 3.8Å; I224-F226 HydrophobicContact CB-CZ 4.38Å; I224-F226 HydrophobicContact CG2-CD2 4Å; I224-F226 HydrophobicContact CG2-CE1 4.32Å; I224-F226 HydrophobicContact CG2-CE2 3.42Å; I224-F226 VanDerWaalsContact CG2-CE2 3.42Å; I224-F226 HydrophobicContact CG2-CZ 3.6Å
225	V	82.1	Confident	74.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111	173.6	-174.7	0	0	0	0	108.7	T74 C162 S163 R164 I180 I242 L246	T74-V225 HydrophobicContact CG2-CG2 3.97Å; C162-V225 PolarHBondContact O-N 2.72Å; S163-V225 CarbonylContact C-O 3.47Å; S163-V225 WeakPolarHBondContact CA-O 3.4Å; R164-V225 PolarHBondContact N-O 2.77Å; I180-V225 HydrophobicContact CD1-CG2 4.47Å; I180-V225 HydrophobicContact CG1-CG2 4.16Å; V225-I242 HydrophobicContact CG1-CG2 3.57Å; V225-L246 HydrophobicContact CG1-CG 4.43Å; V225-L246 HydrophobicContact CG2-CD1 3.86Å; V225-L246 HydrophobicContact CG2-CD2 3.23Å; V225-L246 HydrophobicContact CG2-CG 3.57Å
226	F	78.3	Confident	74.3	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.022	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.1	170.9	-72.9	-83	0	0	0	109.3	R164 V166 Y169 P178 F179 K181 T200 I224	R164-F226 HydrophobicContact CB-CD1 4.17Å; R164-F226 HydrophobicContact CB-CE1 4.02Å; R164-F226 CarbonylContact O-C 3.55Å; R164-F226 VanDerWaalsContact O-CA 3.27Å; R164-F226 WeakPolarHBondContact O-CA 3.19Å; V166-F226 HydrophobicContact CG2-CB 3.87Å; Y169-F226 AromaticContact CD2-CE1 3.82Å; Y169-F226 HydrophobicContact CD2-CE1 3.82Å; Y169-F226 AromaticContact CD2-CZ 3.95Å; Y169-F226 HydrophobicContact CD2-CZ 3.95Å; Y169-F226 HydrophobicContact CE2-CZ 4.18Å; P178-F226 WeakPolarHBondContact CA-O 3.37Å; P178-F226 WeakPolarHBondContact CB-O 3.26Å; F179-F226 HydrophobicContact CD1-CB 3.96Å; F179-F226 HydrophobicContact CD2-CB 4.11Å; F179-F226 AromaticContact CD2-CD2 3.84Å; F179-F226 HydrophobicContact CD2-CD2 3.84Å; F179-F226 HydrophobicContact CD2-CG 4.29Å; F179-F226 HydrophobicContact CE1-CB 3.64Å; F179-F226 HydrophobicContact CE1-CG 4.11Å; F179-F226 HydrophobicContact CE2-CB 3.77Å; F179-F226 AromaticContact CE2-CD2 3.18Å; F179-F226 HydrophobicContact CE2-CD2 3.18Å; F179-F226 AromaticContact CE2-CE2 3.89Å; F179-F226 HydrophobicContact CE2-CE2 3.89Å; F179-F226 AromaticContact CE2-CG 3.57Å; F179-F226 HydrophobicContact CE2-CG 3.57Å; F179-F226 HydrophobicContact CG-CB 4.19Å; F179-F226 HydrophobicContact CZ-CB 3.53Å; F179-F226 HydrophobicContact CZ-CD1 4.16Å; F179-F226 AromaticContact CZ-CD2 3.61Å; F179-F226 HydrophobicContact CZ-CD2 3.61Å; F179-F226 HydrophobicContact CZ-CE2 4.36Å; F179-F226 AromaticContact CZ-CG 3.48Å; F179-F226 HydrophobicContact CZ-CG 3.48Å; F179-F226 VanDerWaalsContact CZ-CG 3.48Å; F179-F226 PolarHBondContact N-O 3.17Å; F179-F226 VanDerWaalsContact N-O 3.13Å; F179-F226 PolarHBondContact O-N 2.96Å; K181-F226 HydrophobicContact CB-CE2 4.19Å; K181-F226 HydrophobicContact CD-CD2 4.5Å; K181-F226 HydrophobicContact CD-CE2 3.87Å; K181-F226 HydrophobicContact CG-CD2 4.23Å; K181-F226 HydrophobicContact CG-CE2 3.93Å; T200-F226 HydrophobicContact CG2-CZ 4Å; I224-F226 HydrophobicContact CB-CD2 4.39Å; I224-F226 HydrophobicContact CB-CE2 3.8Å; I224-F226 HydrophobicContact CB-CZ 4.38Å; I224-F226 HydrophobicContact CG2-CD2 4Å; I224-F226 HydrophobicContact CG2-CE1 4.32Å; I224-F226 HydrophobicContact CG2-CE2 3.42Å; I224-F226 VanDerWaalsContact CG2-CE2 3.42Å; I224-F226 HydrophobicContact CG2-CZ 3.6Å
227	Y	76.3	Confident	73.9	Confident	18 Å²	18	45.6 Å²	45.6	7%	0.071	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	158.9	178.2	70.6	-87.7	0	0	0	111.6	L73 R164 P165 V166 P229 I242	L73-Y227 HydrophobicContact CD1-CD1 3.74Å; L73-Y227 HydrophobicContact CD1-CD2 4.32Å; L73-Y227 HydrophobicContact CD1-CE1 4.15Å; L73-Y227 HydrophobicContact CD1-CG 3.84Å; R164-Y227 VanDerWaalsContact C-CE1 3.41Å; R164-Y227 WeakPolarHBondContact O-CD1 3.27Å; R164-Y227 PolarHBondContact O-N 3.31Å; P165-Y227 CarbonylContact C-O 3.59Å; P165-Y227 VanDerWaalsContact CA-O 3.26Å; P165-Y227 WeakPolarHBondContact CA-O 3.23Å; P165-Y227 HydrophobicContact CB-CE2 4.48Å; V166-Y227 WeakPolarHBondContact CG2-O 3.18Å; V166-Y227 PolarHBondContact N-O 2.92Å; Y227-P229 HydrophobicContact CD2-CG 4.49Å; Y227-P229 HydrophobicContact CE2-CG 4.1Å; Y227-I242 HydrophobicContact CG-CD1 4.49Å
228	L	72.2	Confident	73.4	Confident	23 Å²	23	41.5 Å²	41.5	12%	0.12	23%	0.231	C	C	.	.			trans	-103.1	119.9	179.3	-76.2	178.9	0	0	0	110.9	V166 T175 P176 Q230 V231	V166-L228 HydrophobicContact CB-CD2 3.54Å; V166-L228 HydrophobicContact CB-CG 4.4Å; V166-L228 HydrophobicContact CG1-CD2 3.98Å; V166-L228 HydrophobicContact CG2-CD2 3.67Å; V166-L228 HydrophobicContact CG2-CG 3.98Å; T175-L228 HydrophobicContact CG2-CD1 3.55Å; T175-L228 HydrophobicContact CG2-CD2 3.1Å; T175-L228 HydrophobicContact CG2-CG 3.94Å; P176-L228 VanDerWaalsContact O-CD1 3.28Å; P176-L228 WeakPolarHBondContact O-CD1 3.23Å; L228-Q230 PolarHBondContact O-N 3.41Å; L228-V231 HydrophobicContact CB-CG2 3.24Å; L228-V231 HydrophobicContact CD1-CG2 3.83Å; L228-V231 HydrophobicContact CG-CG2 4.19Å; L228-V231 WeakPolarHBondContact O-CG2 3.37Å
229	P	67.5	Low	73.2	Confident	17 Å²	17	41 Å²	41	11%	0.11	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.9	179.7	-23	34	0	0	0	115.1	P165 Y227 V281	P165-P229 HydrophobicContact CB-CG 3.66Å; Y227-P229 HydrophobicContact CD2-CG 4.49Å; Y227-P229 HydrophobicContact CE2-CG 4.1Å; P229-V281 WeakPolarHBondContact CA-O 3.38Å; P229-V281 WeakPolarHBondContact CB-O 3.28Å
230	Q	63.4	Low	73	Confident	156 Å²	156	41.6 Å²	41.6	73%	0.729	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	12.9	-170.8	-63.2	176.3	-7.4	0	0	114	L228 S232	L228-Q230 PolarHBondContact O-N 3.41Å; Q230-S232 PolarHBondContact O-N 3.24Å
231	V	58.5	Low	72.5	Confident	40 Å²	40	45.9 Å²	45.9	24%	0.242	25%	0.248	C	C	.	.			trans	-76.2	107.9	-176.5	-171.7	0	0	0	0	110.5	L228 A238	L228-V231 HydrophobicContact CB-CG2 3.24Å; L228-V231 HydrophobicContact CD1-CG2 3.83Å; L228-V231 HydrophobicContact CG-CG2 4.19Å; L228-V231 WeakPolarHBondContact O-CG2 3.37Å; V231-A238 HydrophobicContact CB-CB 4.13Å; V231-A238 HydrophobicContact CG1-CB 3.95Å
232	S	51.1	Low	72.1	Confident	110 Å²	110	44.5 Å²	44.5	77%	0.769	24%	0.24	S	C	*	.			trans	-108.8	73.8	178.4	71.6	0	0	0	0	113.8	Q230	Q230-S232 PolarHBondContact O-N 3.24Å
233	I	50.4	Low	71.8	Confident	140 Å²	140	44.5 Å²	44.5	72%	0.718	24%	0.24	S	C	*	.	S	Bend	trans	-136.3	56.7	169.2	-51.7	-179.6	0	0	0	110.3
234	C	63.6	Low	71.5	Confident	88 Å²	88	45.9 Å²	45.9	60%	0.595	25%	0.25	S	C	*	.			trans	67.8	111.9	-163.2	-52	0	0	0	0	111.8	W236 S237 A238	C234-W236 PolarHBondContact O-N 2.94Å; C234-W236 VanDerWaalsContact O-N 3.1Å; C234-S237 WeakPolarHBondContact O-CA 3.33Å; C234-S237 WeakPolarHBondContact O-CB 3.43Å; C234-S237 PolarHBondContact O-N 3.29Å; C234-A238 PolarHBondContact O-N 2.75Å
235	E	69.3	Low	71.1	Confident	76 Å²	76	47.5 Å²	47.5	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-54.7	-37.7	-172	-59.5	81.8	176.3	0	0	111.9	A238 V239 I278 C282	E235-A238 PolarHBondContact O-N 3.46Å; E235-V239 WeakPolarHBondContact O-CG2 3.26Å; E235-V239 PolarHBondContact O-N 3.41Å; E235-V239 VanDerWaalsContact O-N 3.12Å; E235-I278 HydrophobicContact CB-CB 4.39Å; E235-I278 HydrophobicContact CB-CD1 4.37Å; E235-I278 HydrophobicContact CB-CG1 4Å; E235-I278 HydrophobicContact CB-CG2 3.68Å; E235-I278 HydrophobicContact CG-CG2 4.02Å; E235-C282 VanDerWaalsContact CG-SG 3.55Å
236	W	74.9	Confident	70.9	Confident	26 Å²	26	47.4 Å²	47.4	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-35	178.5	-173.9	-122.7	0	0	0	113.2	C234 A238 V239 K240 W264 D265 L269 K274 C277 I278	C234-W236 PolarHBondContact O-N 2.94Å; C234-W236 VanDerWaalsContact O-N 3.1Å; W236-A238 VanDerWaalsContact C-N 3.32Å; W236-V239 HydrophobicContact CE3-CB 3.82Å; W236-V239 HydrophobicContact CE3-CG1 4.06Å; W236-V239 HydrophobicContact CE3-CG2 4.2Å; W236-V239 HydrophobicContact CH2-CB 4.35Å; W236-V239 HydrophobicContact CH2-CG1 3.8Å; W236-V239 HydrophobicContact CZ3-CB 3.69Å; W236-V239 HydrophobicContact CZ3-CG1 3.38Å; W236-V239 HydrophobicContact CZ3-CG2 4.23Å; W236-V239 PolarHBondContact O-N 2.82Å; W236-K240 HydrophobicContact CD2-CG 4.49Å; W236-K240 HydrophobicContact CH2-CG 4.49Å; W236-K240 HydrophobicContact CZ2-CD 4.23Å; W236-K240 HydrophobicContact CZ2-CG 3.7Å; W236-K240 WeakPolarHBondContact O-CG 3.1Å; W236-K240 PolarHBondContact O-N 3.46Å; W236-W264 HydrophobicContact CZ2-CB 4.42Å; W236-D265 PolarHBondContact NE1-OD1 2.83Å; W236-L269 HydrophobicContact CH2-CD1 3.03Å; W236-L269 HydrophobicContact CH2-CD2 4.14Å; W236-L269 HydrophobicContact CH2-CG 4.2Å; W236-L269 HydrophobicContact CZ2-CD1 2.94Å; W236-L269 HydrophobicContact CZ2-CG 4.38Å; W236-L269 HydrophobicContact CZ3-CD1 4.04Å; W236-K274 HydrophobicContact CD2-CD 4.24Å; W236-K274 HydrophobicContact CD2-CG 3.77Å; W236-K274 HydrophobicContact CE3-CB 4.45Å; W236-K274 HydrophobicContact CE3-CD 4.33Å; W236-K274 HydrophobicContact CE3-CG 3.38Å; W236-K274 HydrophobicContact CG-CG 4.49Å; W236-K274 HydrophobicContact CH2-CG 4.34Å; W236-K274 HydrophobicContact CZ3-CB 4.3Å; W236-K274 HydrophobicContact CZ3-CG 3.66Å; W236-C277 HydrophobicContact CZ3-CB 4.36Å; W236-I278 HydrophobicContact CB-CD1 4.3Å; W236-I278 HydrophobicContact CE3-CD1 4.27Å; W236-I278 HydrophobicContact CE3-CG1 4.19Å
237	S	73.1	Confident	70.7	Confident	56 Å²	56	49.1 Å²	49.1	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-38.7	174.6	-60.9	0	0	0	0	111.3	C234 K240 E241	C234-S237 WeakPolarHBondContact O-CA 3.33Å; C234-S237 WeakPolarHBondContact O-CB 3.43Å; C234-S237 PolarHBondContact O-N 3.29Å; S237-K240 PolarHBondContact O-N 2.96Å; S237-E241 PolarHBondContact O-N 2.81Å
238	A	71.1	Confident	70.4	Confident	6 Å²	6	52.5 Å²	52.5	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-42.7	175.2	0	0	0	0	0	112	V231 C234 E235 W236 K240 E241 I242	V231-A238 HydrophobicContact CB-CB 4.13Å; V231-A238 HydrophobicContact CG1-CB 3.95Å; C234-A238 PolarHBondContact O-N 2.75Å; E235-A238 PolarHBondContact O-N 3.46Å; W236-A238 VanDerWaalsContact C-N 3.32Å; A238-K240 VanDerWaalsContact C-N 3.35Å; A238-K240 PolarHBondContact O-N 3.19Å; A238-E241 PolarHBondContact O-N 2.91Å; A238-I242 WeakPolarHBondContact O-CG1 3.31Å; A238-I242 PolarHBondContact O-N 2.8Å
239	V	77.5	Confident	70.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-45.5	173.3	176	0	0	0	0	111.1	L73 E235 W236 E241 I242 F243 C277 I278 V281	L73-V239 HydrophobicContact CD2-CG1 4.31Å; E235-V239 WeakPolarHBondContact O-CG2 3.26Å; E235-V239 PolarHBondContact O-N 3.41Å; E235-V239 VanDerWaalsContact O-N 3.12Å; W236-V239 HydrophobicContact CE3-CB 3.82Å; W236-V239 HydrophobicContact CE3-CG1 4.06Å; W236-V239 HydrophobicContact CE3-CG2 4.2Å; W236-V239 HydrophobicContact CH2-CB 4.35Å; W236-V239 HydrophobicContact CH2-CG1 3.8Å; W236-V239 HydrophobicContact CZ3-CB 3.69Å; W236-V239 HydrophobicContact CZ3-CG1 3.38Å; W236-V239 HydrophobicContact CZ3-CG2 4.23Å; W236-V239 PolarHBondContact O-N 2.82Å; V239-E241 VanDerWaalsContact C-N 3.3Å; V239-E241 PolarHBondContact O-N 2.84Å; V239-I242 WeakPolarHBondContact O-CB 3.32Å; V239-I242 PolarHBondContact O-N 2.81Å; V239-F243 HydrophobicContact CG1-CD2 4.15Å; V239-F243 HydrophobicContact CG1-CE1 4.29Å; V239-F243 HydrophobicContact CG1-CE2 3.94Å; V239-F243 HydrophobicContact CG1-CG 4.49Å; V239-F243 HydrophobicContact CG1-CZ 4.01Å; V239-F243 PolarHBondContact O-N 3.5Å; V239-C277 HydrophobicContact CG1-CB 3.78Å; V239-C277 HydrophobicContact CG2-CB 4.03Å; V239-I278 HydrophobicContact CG2-CG1 4.28Å; V239-V281 HydrophobicContact CG2-CG2 3.76Å
240	K	78.4	Confident	69.9	Low	44 Å²	44	51.9 Å²	51.9	19%	0.191	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-40.5	177	-75.3	-170.1	-69.2	-170.4	0	112.1	W236 S237 A238 F243 N244 W264 D265	W236-K240 HydrophobicContact CD2-CG 4.49Å; W236-K240 HydrophobicContact CH2-CG 4.49Å; W236-K240 HydrophobicContact CZ2-CD 4.23Å; W236-K240 HydrophobicContact CZ2-CG 3.7Å; W236-K240 WeakPolarHBondContact O-CG 3.1Å; W236-K240 PolarHBondContact O-N 3.46Å; S237-K240 PolarHBondContact O-N 2.96Å; A238-K240 VanDerWaalsContact C-N 3.35Å; A238-K240 PolarHBondContact O-N 3.19Å; K240-F243 PolarHBondContact O-N 3.19Å; K240-N244 WeakPolarHBondContact O-CB 3.38Å; K240-N244 PolarHBondContact O-N 2.95Å; K240-N244 PolarHBondContact O-ND2 2.88Å; K240-W264 HydrophobicContact CD-CB 3.83Å; K240-W264 HydrophobicContact CD-CG 4.31Å; K240-W264 HydrophobicContact CG-CB 4.11Å; K240-W264 HydrophobicContact CG-CG 4.25Å; K240-D265 IonicContact NZ-OD1 3.11Å; K240-D265 PolarHBondContact NZ-OD1 3.26Å; K240-D265 VanDerWaalsContact NZ-OD1 3.11Å; K240-D265 IonicContact NZ-OD2 2.77Å; K240-D265 PolarHBondContact NZ-OD2 2.89Å
241	E	74.8	Confident	70.2	Confident	91 Å²	91	45 Å²	45	43%	0.425	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-43	175.6	-169.6	-179.4	171.9	0	0	111.9	S237 A238 V239 F243 N244 T245	S237-E241 PolarHBondContact O-N 2.81Å; A238-E241 PolarHBondContact O-N 2.91Å; V239-E241 VanDerWaalsContact C-N 3.3Å; V239-E241 PolarHBondContact O-N 2.84Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.7Å; E241-N244 PolarHBondContact O-N 3.27Å; E241-T245 WeakPolarHBondContact O-CB 3.32Å; E241-T245 PolarHBondContact O-N 3.47Å; E241-T245 PolarHBondContact O-OG1 3.1Å
242	I	77.2	Confident	70.7	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-43.9	174.9	-65.2	161.3	0	0	0	111	L73 P178 V225 Y227 A238 V239 T245 L246 V281	L73-I242 HydrophobicContact CD1-CD1 4.13Å; L73-I242 HydrophobicContact CD1-CG2 4.29Å; P178-I242 HydrophobicContact CB-CG1 3.95Å; P178-I242 HydrophobicContact CG-CG1 3.89Å; V225-I242 HydrophobicContact CG1-CG2 3.57Å; Y227-I242 HydrophobicContact CG-CD1 4.49Å; A238-I242 WeakPolarHBondContact O-CG1 3.31Å; A238-I242 PolarHBondContact O-N 2.8Å; V239-I242 WeakPolarHBondContact O-CB 3.32Å; V239-I242 PolarHBondContact O-N 2.81Å; I242-T245 WeakPolarHBondContact O-CB 3.37Å; I242-T245 PolarHBondContact O-N 3.2Å; I242-T245 VanDerWaalsContact O-N 3.16Å; I242-L246 PolarHBondContact O-N 3.38Å; I242-V281 HydrophobicContact CD1-CG2 3.7Å
243	F	80.4	Confident	71.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-40.5	177.1	-73.8	-5	0	0	0	112.5	L73 A76 F77 I80 V239 K240 E241 T245 L246 L247 W264	L73-F243 HydrophobicContact CB-CE1 4.41Å; L73-F243 HydrophobicContact CD2-CE1 4.15Å; L73-F243 VanDerWaalsContact O-CE1 3.28Å; L73-F243 WeakPolarHBondContact O-CE1 3.43Å; A76-F243 HydrophobicContact CB-CZ 3.75Å; F77-F243 HydrophobicContact CB-CD1 4.27Å; F77-F243 HydrophobicContact CB-CE1 4.06Å; F77-F243 HydrophobicContact CD2-CD1 4.45Å; I80-F243 HydrophobicContact CD1-CD2 4.49Å; I80-F243 HydrophobicContact CD1-CE2 3.71Å; I80-F243 HydrophobicContact CD1-CZ 4.38Å; V239-F243 HydrophobicContact CG1-CD2 4.15Å; V239-F243 HydrophobicContact CG1-CE1 4.29Å; V239-F243 HydrophobicContact CG1-CE2 3.94Å; V239-F243 HydrophobicContact CG1-CG 4.49Å; V239-F243 HydrophobicContact CG1-CZ 4.01Å; V239-F243 PolarHBondContact O-N 3.5Å; K240-F243 PolarHBondContact O-N 3.19Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.7Å; F243-T245 PolarHBondContact O-N 3.41Å; F243-L246 HydrophobicContact CD1-CD1 4.11Å; F243-L246 CarbonylContact O-C 3.59Å; F243-L246 WeakPolarHBondContact O-CA 3.38Å; F243-L246 VanDerWaalsContact O-CB 3.32Å; F243-L246 WeakPolarHBondContact O-CB 3.43Å; F243-L246 PolarHBondContact O-N 3.15Å; F243-L247 WeakPolarHBondContact O-CG 3.48Å; F243-L247 PolarHBondContact O-N 3.11Å; F243-W264 HydrophobicContact CB-CH2 3.52Å; F243-W264 HydrophobicContact CB-CZ2 3.55Å; F243-W264 HydrophobicContact CB-CZ3 4.12Å; F243-W264 HydrophobicContact CD2-CD2 4.34Å; F243-W264 AromaticContact CD2-CE3 3.63Å; F243-W264 HydrophobicContact CD2-CE3 3.63Å; F243-W264 AromaticContact CD2-CH2 3.39Å; F243-W264 HydrophobicContact CD2-CH2 3.39Å; F243-W264 HydrophobicContact CD2-CZ2 4.14Å; F243-W264 AromaticContact CD2-CZ3 3.1Å; F243-W264 HydrophobicContact CD2-CZ3 3.1Å; F243-W264 HydrophobicContact CE2-CE3 4.24Å; F243-W264 HydrophobicContact CE2-CH2 4.26Å; F243-W264 AromaticContact CE2-CZ3 3.67Å; F243-W264 HydrophobicContact CE2-CZ3 3.67Å; F243-W264 AromaticContact CG-CH2 3.75Å; F243-W264 HydrophobicContact CG-CH2 3.75Å; F243-W264 HydrophobicContact CG-CZ2 4.28Å; F243-W264 AromaticContact CG-CZ3 3.95Å; F243-W264 HydrophobicContact CG-CZ3 3.95Å
244	N	77.3	Confident	72.6	Confident	59 Å²	59	37.2 Å²	37.2	32%	0.316	21%	0.205	S	C	.	.	H	α-helix	trans	-60.4	-33.7	171.3	-73.7	-27.9	0	0	0	112	K240 E241 L246 L247 P248 N262	K240-N244 WeakPolarHBondContact O-CB 3.38Å; K240-N244 PolarHBondContact O-N 2.95Å; K240-N244 PolarHBondContact O-ND2 2.88Å; E241-N244 PolarHBondContact O-N 3.27Å; N244-L246 VanDerWaalsContact C-N 3.34Å; N244-L247 PolarHBondContact O-N 2.81Å; N244-P248 WeakPolarHBondContact O-CD 3.48Å; N244-N262 PolarHBondContact OD1-ND2 3.33Å; N244-N262 VanDerWaalsContact OD1-ND2 3.13Å; N244-N262 PolarHBondContact OD1-OD1 3.47Å
245	T	76.3	Confident	72.9	Confident	38 Å²	38	38.4 Å²	38.4	23%	0.233	20%	0.201	C	C	.	.	H	α-helix	trans	-69.1	-35	174.1	-52.4	0	0	0	0	111.1	I180 E241 I242 F243 P248	I180-T245 VanDerWaalsContact CD1-C 3.44Å; I180-T245 HydrophobicContact CD1-CG2 4.04Å; I180-T245 WeakPolarHBondContact CD1-O 3.36Å; I180-T245 HydrophobicContact CG1-CG2 4.01Å; E241-T245 WeakPolarHBondContact O-CB 3.32Å; E241-T245 PolarHBondContact O-N 3.47Å; E241-T245 PolarHBondContact O-OG1 3.1Å; I242-T245 WeakPolarHBondContact O-CB 3.37Å; I242-T245 PolarHBondContact O-N 3.2Å; I242-T245 VanDerWaalsContact O-N 3.16Å; F243-T245 PolarHBondContact O-N 3.41Å; T245-P248 VanDerWaalsContact O-CD 3.31Å; T245-P248 WeakPolarHBondContact O-CD 3.32Å
246	L	76.6	Confident	72.7	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.1	-30.1	174.6	-90.1	167.8	0	0	0	114.1	F77 I180 V225 I242 F243 N244 V249 G250	F77-L246 HydrophobicContact CB-CD1 3.96Å; F77-L246 HydrophobicContact CD1-CB 4.42Å; F77-L246 HydrophobicContact CD1-CD1 4.26Å; F77-L246 HydrophobicContact CD1-CD2 4.46Å; F77-L246 HydrophobicContact CD2-CB 3.96Å; F77-L246 HydrophobicContact CD2-CD1 4.17Å; F77-L246 HydrophobicContact CE1-CB 4.26Å; F77-L246 HydrophobicContact CE2-CB 3.8Å; F77-L246 HydrophobicContact CG-CB 4.27Å; F77-L246 HydrophobicContact CG-CD1 3.88Å; F77-L246 HydrophobicContact CZ-CB 3.96Å; I180-L246 VanDerWaalsContact CD1-CA 3.44Å; I180-L246 HydrophobicContact CD1-CB 4.32Å; I180-L246 HydrophobicContact CD1-CD2 3.86Å; I180-L246 HydrophobicContact CD1-CG 4.03Å; V225-L246 HydrophobicContact CG1-CG 4.43Å; V225-L246 HydrophobicContact CG2-CD1 3.86Å; V225-L246 HydrophobicContact CG2-CD2 3.23Å; V225-L246 HydrophobicContact CG2-CG 3.57Å; I242-L246 PolarHBondContact O-N 3.38Å; F243-L246 HydrophobicContact CD1-CD1 4.11Å; F243-L246 CarbonylContact O-C 3.59Å; F243-L246 WeakPolarHBondContact O-CA 3.38Å; F243-L246 VanDerWaalsContact O-CB 3.32Å; F243-L246 WeakPolarHBondContact O-CB 3.43Å; F243-L246 PolarHBondContact O-N 3.15Å; N244-L246 VanDerWaalsContact C-N 3.34Å; L246-V249 WeakPolarHBondContact O-CA 3.49Å; L246-V249 WeakPolarHBondContact O-CB 3.41Å; L246-V249 PolarHBondContact O-N 3.06Å; L246-G250 PolarHBondContact O-N 3.4Å
247	L	74.1	Confident	72.2	Confident	40 Å²	40	43.1 Å²	43.1	21%	0.209	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-52	-43.6	-178.6	-74.9	176.2	0	0	0	113.8	F77 F243 N244 V249 G250 F258 W264	F77-L247 HydrophobicContact CE2-CD2 4.04Å; F243-L247 WeakPolarHBondContact O-CG 3.48Å; F243-L247 PolarHBondContact O-N 3.11Å; N244-L247 PolarHBondContact O-N 2.81Å; L247-V249 PolarHBondContact O-N 3.5Å; L247-G250 VanDerWaalsContact O-CA 3.23Å; L247-G250 WeakPolarHBondContact O-CA 3.1Å; L247-G250 PolarHBondContact O-N 2.91Å; L247-F258 HydrophobicContact CD2-CB 3.59Å; L247-F258 HydrophobicContact CD2-CD1 3.56Å; L247-F258 HydrophobicContact CD2-CD2 3.77Å; L247-F258 HydrophobicContact CD2-CE1 4.14Å; L247-F258 HydrophobicContact CD2-CE2 4.31Å; L247-F258 HydrophobicContact CD2-CG 3.35Å; L247-F258 HydrophobicContact CD2-CZ 4.48Å; L247-W264 HydrophobicContact CD1-CZ2 4.49Å; L247-W264 HydrophobicContact CD2-CZ2 4.33Å; L247-W264 HydrophobicContact CG-CZ2 4.47Å
248	P	70.8	Confident	71.8	Confident	89 Å²	89	42 Å²	42	58%	0.578	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-57.7	-28.7	172.9	-28.7	32.4	0	0	0	115.6	N244 T245	N244-P248 WeakPolarHBondContact O-CD 3.48Å; T245-P248 VanDerWaalsContact O-CD 3.31Å; T245-P248 WeakPolarHBondContact O-CD 3.32Å
249	V	69.8	Low	71.1	Confident	22 Å²	22	45.6 Å²	45.6	13%	0.133	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-76.9	-16.4	173.1	171.9	0	0	0	0	111.4	L161 I180 Y223 L246 L247 I251	L161-V249 HydrophobicContact CD2-CG1 4Å; I180-V249 HydrophobicContact CB-CG2 4.43Å; I180-V249 HydrophobicContact CD1-CB 4.49Å; I180-V249 HydrophobicContact CD1-CG2 3.7Å; I180-V249 HydrophobicContact CG2-CG2 3.86Å; Y223-V249 HydrophobicContact CD1-CB 4.18Å; Y223-V249 HydrophobicContact CD1-CG1 3.3Å; Y223-V249 HydrophobicContact CD1-CG2 3.76Å; Y223-V249 HydrophobicContact CD2-CG1 3.89Å; Y223-V249 HydrophobicContact CE1-CB 4.47Å; Y223-V249 HydrophobicContact CE1-CG1 3.62Å; Y223-V249 HydrophobicContact CE1-CG2 4.22Å; Y223-V249 HydrophobicContact CE2-CG1 4.17Å; Y223-V249 HydrophobicContact CG-CG1 3.43Å; Y223-V249 VanDerWaalsContact CG-CG1 3.43Å; Y223-V249 HydrophobicContact CG-CG2 4.49Å; L246-V249 WeakPolarHBondContact O-CA 3.49Å; L246-V249 WeakPolarHBondContact O-CB 3.41Å; L246-V249 PolarHBondContact O-N 3.06Å; L247-V249 PolarHBondContact O-N 3.5Å; V249-I251 PolarHBondContact O-N 2.82Å
250	G	58.8	Low	69.9	Low	5 Å²	5	51 Å²	51	5%	0.052	27%	0.273	C	S	.	.			trans	-27.2	96.5	178.6	0	0	0	0	0	112.3	L246 L247 Q255	L246-G250 PolarHBondContact O-N 3.4Å; L247-G250 VanDerWaalsContact O-CA 3.23Å; L247-G250 WeakPolarHBondContact O-CA 3.1Å; L247-G250 PolarHBondContact O-N 2.91Å; G250-Q255 WeakPolarHBondContact O-CG 3.32Å; G250-Q255 PolarHBondContact O-NE2 2.82Å
251	I	69.9	Low	68.8	Low	12 Å²	12	53.9 Å²	53.9	6%	0.062	29%	0.291	C	S	.	.			trans	-54.5	145.2	174.4	-61.1	157.7	0	0	0	106.8	I67 N159 L161 V249 I253 L254 Q255	I67-I251 HydrophobicContact CD1-CD1 4.05Å; I67-I251 HydrophobicContact CD1-CG2 4.32Å; I67-I251 HydrophobicContact CG1-CD1 4.08Å; I67-I251 HydrophobicContact CG2-CD1 4.05Å; N159-I251 HydrophobicContact CB-CD1 3.46Å; N159-I251 VanDerWaalsContact CB-CD1 3.46Å; N159-I251 HydrophobicContact CB-CG1 4Å; L161-I251 HydrophobicContact CD1-CD1 4.02Å; L161-I251 HydrophobicContact CD2-CD1 4.24Å; L161-I251 HydrophobicContact CG-CD1 4.31Å; V249-I251 PolarHBondContact O-N 2.82Å; I251-I253 HydrophobicContact CG2-CD1 4.41Å; I251-I253 PolarHBondContact O-N 3.31Å; I251-L254 HydrophobicContact CB-CD1 4.16Å; I251-L254 HydrophobicContact CB-CG 4.23Å; I251-L254 HydrophobicContact CD1-CD1 4.01Å; I251-L254 HydrophobicContact CG1-CD1 4.38Å; I251-L254 CarbonylContact O-C 3.52Å; I251-L254 WeakPolarHBondContact O-CA 3.49Å; I251-L254 WeakPolarHBondContact O-CB 3.34Å; I251-L254 PolarHBondContact O-N 3.07Å; I251-Q255 PolarHBondContact O-N 3.24Å
252	E	70.3	Confident	68	Low	122 Å²	122	53.3 Å²	53.3	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-47.1	-40.7	-173.2	-174.7	-179.1	166.6	0	0	112.9	L254 Q255 K256	E252-L254 PolarHBondContact O-N 3.07Å; E252-Q255 PolarHBondContact O-N 3.34Å; E252-K256 PolarHBondContact O-N 3.19Å
253	I	66.3	Low	67.3	Low	5 Å²	5	56 Å²	56	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-41.1	176.3	-64.5	147	0	0	0	112.3	H65 T82 T114 I251 H257	H65-I253 HydrophobicContact CB-CD1 3.65Å; T82-I253 HydrophobicContact CG2-CG2 4.3Å; T114-I253 HydrophobicContact CG2-CD1 3.92Å; T114-I253 WeakPolarHBondContact OG1-CD1 3.46Å; I251-I253 HydrophobicContact CG2-CD1 4.41Å; I251-I253 PolarHBondContact O-N 3.31Å; I253-H257 PolarHBondContact O-ND1 3.4Å
254	L	73.8	Confident	66.6	Low	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-76.5	-37.7	178.9	-58.8	179	0	0	0	112.1	I67 F77 V78 T82 I251 E252 K256 H257 F258	I67-L254 HydrophobicContact CD1-CD2 4.49Å; I67-L254 HydrophobicContact CD1-CG 4.41Å; F77-L254 HydrophobicContact CD1-CD1 4.05Å; F77-L254 HydrophobicContact CE1-CD1 3.48Å; F77-L254 VanDerWaalsContact CE1-CD1 3.48Å; F77-L254 HydrophobicContact CZ-CD1 4.26Å; V78-L254 HydrophobicContact CG1-CD2 4.44Å; V78-L254 HydrophobicContact CG2-CD1 4.26Å; T82-L254 HydrophobicContact CG2-CD2 3.46Å; T82-L254 VanDerWaalsContact CG2-CD2 3.46Å; I251-L254 HydrophobicContact CB-CD1 4.16Å; I251-L254 HydrophobicContact CB-CG 4.23Å; I251-L254 HydrophobicContact CD1-CD1 4.01Å; I251-L254 HydrophobicContact CG1-CD1 4.38Å; I251-L254 CarbonylContact O-C 3.52Å; I251-L254 WeakPolarHBondContact O-CA 3.49Å; I251-L254 WeakPolarHBondContact O-CB 3.34Å; I251-L254 PolarHBondContact O-N 3.07Å; E252-L254 PolarHBondContact O-N 3.07Å; L254-K256 PolarHBondContact O-N 2.87Å; L254-H257 PolarHBondContact O-N 3.09Å; L254-F258 HydrophobicContact CB-CD2 4.08Å; L254-F258 HydrophobicContact CB-CE2 4.01Å; L254-F258 WeakPolarHBondContact O-CD2 3.5Å; L254-F258 PolarHBondContact O-N 2.92Å; L254-F258 VanDerWaalsContact O-N 3.12Å
255	Q	69.1	Low	66	Low	112 Å²	112	58 Å²	58	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-33.7	178.8	-83	175.2	-1.8	0	0	112.6	G250 I251 E252 H257	G250-Q255 WeakPolarHBondContact O-CG 3.32Å; G250-Q255 PolarHBondContact O-NE2 2.82Å; I251-Q255 PolarHBondContact O-N 3.24Å; E252-Q255 PolarHBondContact O-N 3.34Å; Q255-H257 PolarHBondContact O-N 3.12Å
256	K	66.4	Low	65.3	Low	130 Å²	130	62.8 Å²	62.8	57%	0.565	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.3	174.9	-70.5	172.2	-175.1	171.2	0	113	D112 E252 L254	D112-K256 IonicContact OD2-NZ 3.17Å; D112-K256 PolarHBondContact OD2-NZ 3.02Å; E252-K256 PolarHBondContact O-N 3.19Å; L254-K256 PolarHBondContact O-N 2.87Å
257	H	64.3	Low	64.3	Low	71 Å²	71	70.1 Å²	70.1	33%	0.329	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-29	-175	-66.1	62.9	0	0	0	113.2	G81 Y111 I253 L254 Q255 S259	G81-H257 WeakPolarHBondContact O-CB 3.41Å; G81-H257 PolarHBondContact O-CD2 3.31Å; G81-H257 PolarHBondContact O-ND1 3.18Å; Y111-H257 AromaticContact CE1-CE1 3.49Å; Y111-H257 VanDerWaalsContact CE1-CE1 3.49Å; Y111-H257 WeakPolarHBondContact CE1-CE1 3.38Å; Y111-H257 AromaticContact CE1-NE2 3.55Å; I253-H257 PolarHBondContact O-ND1 3.4Å; L254-H257 PolarHBondContact O-N 3.09Å; Q255-H257 PolarHBondContact O-N 3.12Å; H257-S259 PolarHBondContact O-N 3.32Å; H257-S259 VanDerWaalsContact O-N 3.09Å
258	F	64.6	Low	63.4	Low	34 Å²	34	70.7 Å²	70.7	15%	0.149	37%	0.372	C	S	.	.			trans	-82.6	81.2	174.3	-68	-66.2	0	0	0	110.1	F77 I80 G81 L247 L254 W264	F77-F258 HydrophobicContact CD2-CE2 4.1Å; F77-F258 AromaticContact CD2-CZ 3.74Å; F77-F258 HydrophobicContact CD2-CZ 3.74Å; F77-F258 HydrophobicContact CE1-CE2 4.33Å; F77-F258 HydrophobicContact CE2-CD2 4.27Å; F77-F258 HydrophobicContact CE2-CE1 4.3Å; F77-F258 AromaticContact CE2-CE2 3.49Å; F77-F258 HydrophobicContact CE2-CE2 3.49Å; F77-F258 VanDerWaalsContact CE2-CE2 3.49Å; F77-F258 AromaticContact CE2-CZ 3.51Å; F77-F258 HydrophobicContact CE2-CZ 3.51Å; F77-F258 HydrophobicContact CZ-CD2 4.29Å; F77-F258 AromaticContact CZ-CE2 3.63Å; F77-F258 HydrophobicContact CZ-CE2 3.63Å; F77-F258 HydrophobicContact CZ-CZ 4.13Å; I80-F258 HydrophobicContact CB-CZ 4.46Å; I80-F258 HydrophobicContact CG2-CE1 3.76Å; I80-F258 HydrophobicContact CG2-CZ 4.08Å; G81-F258 VanDerWaalsContact CA-CE2 3.42Å; G81-F258 VanDerWaalsContact CA-CZ 3.45Å; L247-F258 HydrophobicContact CD2-CB 3.59Å; L247-F258 HydrophobicContact CD2-CD1 3.56Å; L247-F258 HydrophobicContact CD2-CD2 3.77Å; L247-F258 HydrophobicContact CD2-CE1 4.14Å; L247-F258 HydrophobicContact CD2-CE2 4.31Å; L247-F258 HydrophobicContact CD2-CG 3.35Å; L247-F258 HydrophobicContact CD2-CZ 4.48Å; L254-F258 HydrophobicContact CB-CD2 4.08Å; L254-F258 HydrophobicContact CB-CE2 4.01Å; L254-F258 WeakPolarHBondContact O-CD2 3.5Å; L254-F258 PolarHBondContact O-N 2.92Å; L254-F258 VanDerWaalsContact O-N 3.12Å; F258-W264 HydrophobicContact CD1-CH2 4.18Å; F258-W264 HydrophobicContact CD1-CZ2 4.22Å; F258-W264 AromaticContact CE1-CH2 3.35Å; F258-W264 HydrophobicContact CE1-CH2 3.35Å; F258-W264 AromaticContact CE1-CZ2 3.83Å; F258-W264 HydrophobicContact CE1-CZ2 3.83Å; F258-W264 HydrophobicContact CE1-CZ3 4.05Å; F258-W264 AromaticContact CZ-CH2 3.98Å; F258-W264 HydrophobicContact CZ-CH2 3.98Å
259	S	56.4	Low	63	Low	81 Å²	81	68.1 Å²	68.1	57%	0.566	35%	0.353	S	S	*	.			trans	-69.5	160.1	168.5	63.3	0	0	0	0	111.6	H257 D261	H257-S259 PolarHBondContact O-N 3.32Å; H257-S259 VanDerWaalsContact O-N 3.09Å; S259-D261 PolarHBondContact O-N 3.02Å
260	S	52	Low	62.9	Low	113 Å²	113	70.4 Å²	70.4	79%	0.79	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-15	-173.3	49.4	0	0	0	0	116.5	N262	S260-N262 PolarHBondContact O-N 2.89Å
261	D	56	Low	63.4	Low	105 Å²	105	76 Å²	76	56%	0.561	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	7.6	-162.8	-68.3	2.3	0	0	0	114.3	S259 Q263	S259-D261 PolarHBondContact O-N 3.02Å; D261-Q263 HydrophobicContact CB-CG 3.97Å; D261-Q263 WeakPolarHBondContact O-CG 3.42Å; D261-Q263 PolarHBondContact O-N 2.81Å
262	N	58.5	Low	63.4	Low	78 Å²	78	82.2 Å²	82.2	42%	0.417	42%	0.421	S	S	.	.			trans	42.7	44.9	171.2	-100	-8.1	0	0	0	113.6	N244 S260 W264	N244-N262 PolarHBondContact OD1-ND2 3.33Å; N244-N262 VanDerWaalsContact OD1-ND2 3.13Å; N244-N262 PolarHBondContact OD1-OD1 3.47Å; S260-N262 PolarHBondContact O-N 2.89Å; N262-W264 PolarHBondContact O-N 3.13Å; N262-W264 PolarHBondContact OD1-NE1 2.95Å
263	Q	61.9	Low	63.3	Low	59 Å²	59	77.5 Å²	77.5	28%	0.276	40%	0.399	S	S	.	.			trans	-77.7	38	-175.4	-61.1	-172.2	-4	0	0	113	D261 D265 N266 K267	D261-Q263 HydrophobicContact CB-CG 3.97Å; D261-Q263 WeakPolarHBondContact O-CG 3.42Å; D261-Q263 PolarHBondContact O-N 2.81Å; Q263-D265 PolarHBondContact O-N 3.16Å; Q263-N266 PolarHBondContact O-N 3.49Å; Q263-N266 VanDerWaalsContact O-N 3.13Å; Q263-K267 HydrophobicContact CB-CB 4.4Å; Q263-K267 HydrophobicContact CB-CG 4.49Å; Q263-K267 PolarHBondContact O-N 2.8Å; Q263-K267 VanDerWaalsContact O-N 3.11Å
264	W	65.8	Low	63.6	Low	6 Å²	6	79.8 Å²	79.8	2%	0.023	41%	0.409	C	S	.	.	H	α-helix	trans	-52	-43.8	178.6	-68.1	104.1	0	0	0	111.4	F77 I80 W236 K240 F243 L247 F258 N262 L269	F77-W264 HydrophobicContact CD2-CH2 4.31Å; I80-W264 HydrophobicContact CB-CZ3 4.44Å; I80-W264 HydrophobicContact CD1-CE3 4.32Å; I80-W264 HydrophobicContact CD1-CZ3 3.69Å; I80-W264 HydrophobicContact CG2-CE3 4.49Å; I80-W264 HydrophobicContact CG2-CH2 4.41Å; I80-W264 HydrophobicContact CG2-CZ3 3.79Å; W236-W264 HydrophobicContact CZ2-CB 4.42Å; K240-W264 HydrophobicContact CD-CB 3.83Å; K240-W264 HydrophobicContact CD-CG 4.31Å; K240-W264 HydrophobicContact CG-CB 4.11Å; K240-W264 HydrophobicContact CG-CG 4.25Å; F243-W264 HydrophobicContact CB-CH2 3.52Å; F243-W264 HydrophobicContact CB-CZ2 3.55Å; F243-W264 HydrophobicContact CB-CZ3 4.12Å; F243-W264 HydrophobicContact CD2-CD2 4.34Å; F243-W264 AromaticContact CD2-CE3 3.63Å; F243-W264 HydrophobicContact CD2-CE3 3.63Å; F243-W264 AromaticContact CD2-CH2 3.39Å; F243-W264 HydrophobicContact CD2-CH2 3.39Å; F243-W264 HydrophobicContact CD2-CZ2 4.14Å; F243-W264 AromaticContact CD2-CZ3 3.1Å; F243-W264 HydrophobicContact CD2-CZ3 3.1Å; F243-W264 HydrophobicContact CE2-CE3 4.24Å; F243-W264 HydrophobicContact CE2-CH2 4.26Å; F243-W264 AromaticContact CE2-CZ3 3.67Å; F243-W264 HydrophobicContact CE2-CZ3 3.67Å; F243-W264 AromaticContact CG-CH2 3.75Å; F243-W264 HydrophobicContact CG-CH2 3.75Å; F243-W264 HydrophobicContact CG-CZ2 4.28Å; F243-W264 AromaticContact CG-CZ3 3.95Å; F243-W264 HydrophobicContact CG-CZ3 3.95Å; L247-W264 HydrophobicContact CD1-CZ2 4.49Å; L247-W264 HydrophobicContact CD2-CZ2 4.33Å; L247-W264 HydrophobicContact CG-CZ2 4.47Å; F258-W264 HydrophobicContact CD1-CH2 4.18Å; F258-W264 HydrophobicContact CD1-CZ2 4.22Å; F258-W264 AromaticContact CE1-CH2 3.35Å; F258-W264 HydrophobicContact CE1-CH2 3.35Å; F258-W264 AromaticContact CE1-CZ2 3.83Å; F258-W264 HydrophobicContact CE1-CZ2 3.83Å; F258-W264 HydrophobicContact CE1-CZ3 4.05Å; F258-W264 AromaticContact CZ-CH2 3.98Å; F258-W264 HydrophobicContact CZ-CH2 3.98Å; N262-W264 PolarHBondContact O-N 3.13Å; N262-W264 PolarHBondContact OD1-NE1 2.95Å; W264-L269 WeakPolarHBondContact O-CD1 3.18Å
265	D	65.1	Low	63.6	Low	96 Å²	96	83.6 Å²	83.6	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-77.6	-24.3	-176.4	-60.4	-31.6	0	0	0	113.1	W236 K240 Q263	W236-D265 PolarHBondContact NE1-OD1 2.83Å; K240-D265 IonicContact NZ-OD1 3.11Å; K240-D265 PolarHBondContact NZ-OD1 3.26Å; K240-D265 VanDerWaalsContact NZ-OD1 3.11Å; K240-D265 IonicContact NZ-OD2 2.77Å; K240-D265 PolarHBondContact NZ-OD2 2.89Å; Q263-D265 PolarHBondContact O-N 3.16Å
266	N	60.1	Low	63.7	Low	138 Å²	138	80.7 Å²	80.7	74%	0.738	41%	0.414	S	S	*	.	H	α-helix	trans	-109.9	-19.3	-165.1	-69.5	-21.4	0	0	0	115.2	Q263	Q263-N266 PolarHBondContact O-N 3.49Å; Q263-N266 VanDerWaalsContact O-N 3.13Å
267	K	55.5	Low	64.2	Low	155 Å²	155	74.6 Å²	74.6	67%	0.674	39%	0.387	S	S	*	.	H	α-helix	trans	-135.4	-13.2	-171.2	-74.4	-162.7	-175	154	0	117	Q263	Q263-K267 HydrophobicContact CB-CB 4.4Å; Q263-K267 HydrophobicContact CB-CG 4.49Å; Q263-K267 PolarHBondContact O-N 2.8Å; Q263-K267 VanDerWaalsContact O-N 3.11Å
268	L	56.6	Low	64.7	Low	51 Å²	51	71.7 Å²	71.7	27%	0.267	37%	0.374	S	S	.	.	S	Bend	trans	-123.6	-5.9	-154	-71	170.4	0	0	0	116	I80	I80-L268 HydrophobicContact CG2-CB 3.78Å; I80-L268 HydrophobicContact CG2-CD1 3.84Å; I80-L268 HydrophobicContact CG2-CD2 3.86Å; I80-L268 HydrophobicContact CG2-CG 3.99Å
269	L	62.3	Low	65.2	Low	36 Å²	36	73 Å²	73	19%	0.188	39%	0.385	C	S	.	.			trans	-131.3	116.3	-169.8	-65.6	160.9	0	0	0	112.3	I80 W236 W264 E271 L273 K274	I80-L269 HydrophobicContact CD1-CD2 3.35Å; I80-L269 HydrophobicContact CD1-CG 4.29Å; I80-L269 HydrophobicContact CG1-CD2 4.12Å; W236-L269 HydrophobicContact CH2-CD1 3.03Å; W236-L269 HydrophobicContact CH2-CD2 4.14Å; W236-L269 HydrophobicContact CH2-CG 4.2Å; W236-L269 HydrophobicContact CZ2-CD1 2.94Å; W236-L269 HydrophobicContact CZ2-CG 4.38Å; W236-L269 HydrophobicContact CZ3-CD1 4.04Å; W264-L269 WeakPolarHBondContact O-CD1 3.18Å; L269-E271 PolarHBondContact O-N 2.99Å; L269-L273 HydrophobicContact CD2-CB 4.36Å; L269-L273 HydrophobicContact CD2-CD2 3.85Å; L269-L273 HydrophobicContact CD2-CG 4.02Å; L269-K274 HydrophobicContact CB-CB 4.46Å
270	C	66.5	Low	65.9	Low	69 Å²	69	69.7 Å²	69.7	47%	0.466	36%	0.363	S	S	.	.			trans	-56.8	133.9	152.7	179.1	0	0	0	0	107.9	K272 L273 K274	C270-K272 PolarHBondContact O-N 2.96Å; C270-K272 VanDerWaalsContact SG-CB 3.56Å; C270-L273 HydrophobicContact CB-CB 4.33Å; C270-L273 WeakPolarHBondContact O-CA 3.49Å; C270-L273 WeakPolarHBondContact O-CB 3.19Å; C270-L273 PolarHBondContact O-N 3.27Å; C270-K274 PolarHBondContact O-N 3.4Å; C270-K274 VanDerWaalsContact O-N 3.1Å
271	E	70	Confident	67	Low	122 Å²	122	64.4 Å²	64.4	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-50.3	-35.6	175.5	-74.6	-61.2	142.5	0	0	111.2	L269 L273 K274 E275	L269-E271 PolarHBondContact O-N 2.99Å; E271-L273 PolarHBondContact O-N 3.21Å; E271-K274 WeakPolarHBondContact O-CB 2.97Å; E271-K274 PolarHBondContact O-N 3.01Å; E271-K274 IonicContact OE1-NZ 2.65Å; E271-K274 IonicContact OE2-NZ 3.91Å; E271-E275 VanDerWaalsContact O-CG 3.31Å; E271-E275 WeakPolarHBondContact O-CG 3.31Å; E271-E275 PolarHBondContact O-N 3.15Å
272	K	69	Low	67.6	Low	144 Å²	144	60.2 Å²	60.2	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-58.5	-44.7	173	-169.8	177.1	-179.6	176.9	0	113.4	C270 E275 M276	C270-K272 PolarHBondContact O-N 2.96Å; C270-K272 VanDerWaalsContact SG-CB 3.56Å; K272-E275 PolarHBondContact O-N 3.11Å; K272-M276 HydrophobicContact CG-SD 4.12Å; K272-M276 WeakPolarHBondContact O-CB 3.32Å; K272-M276 WeakPolarHBondContact O-CG 3.5Å; K272-M276 PolarHBondContact O-N 3.13Å
273	L	69	Low	67.9	Low	22 Å²	22	60.7 Å²	60.7	12%	0.115	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-40.6	179.3	-174.3	60.1	0	0	0	110.9	A76 T79 I80 L269 C270 E271 M276 C277	A76-L273 HydrophobicContact CB-CD1 3.6Å; A76-L273 HydrophobicContact CB-CD2 4.33Å; A76-L273 HydrophobicContact CB-CG 4.06Å; T79-L273 HydrophobicContact CG2-CD2 4.41Å; I80-L273 HydrophobicContact CD1-CD2 4.05Å; I80-L273 HydrophobicContact CG1-CD2 3.87Å; L269-L273 HydrophobicContact CD2-CB 4.36Å; L269-L273 HydrophobicContact CD2-CD2 3.85Å; L269-L273 HydrophobicContact CD2-CG 4.02Å; C270-L273 HydrophobicContact CB-CB 4.33Å; C270-L273 WeakPolarHBondContact O-CA 3.49Å; C270-L273 WeakPolarHBondContact O-CB 3.19Å; C270-L273 PolarHBondContact O-N 3.27Å; E271-L273 PolarHBondContact O-N 3.21Å; L273-M276 PolarHBondContact O-N 2.84Å; L273-C277 PolarHBondContact O-N 3.39Å; L273-C277 PolarHBondContact O-SG 3.44Å
274	K	73.5	Confident	67.6	Low	53 Å²	53	62.1 Å²	62.1	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-48.6	174.3	-172.9	-171.6	176.5	-175.8	0	111.2	W236 L269 C270 E271 M276 C277 I278	W236-K274 HydrophobicContact CD2-CD 4.24Å; W236-K274 HydrophobicContact CD2-CG 3.77Å; W236-K274 HydrophobicContact CE3-CB 4.45Å; W236-K274 HydrophobicContact CE3-CD 4.33Å; W236-K274 HydrophobicContact CE3-CG 3.38Å; W236-K274 HydrophobicContact CG-CG 4.49Å; W236-K274 HydrophobicContact CH2-CG 4.34Å; W236-K274 HydrophobicContact CZ3-CB 4.3Å; W236-K274 HydrophobicContact CZ3-CG 3.66Å; L269-K274 HydrophobicContact CB-CB 4.46Å; C270-K274 PolarHBondContact O-N 3.4Å; C270-K274 VanDerWaalsContact O-N 3.1Å; E271-K274 WeakPolarHBondContact O-CB 2.97Å; E271-K274 PolarHBondContact O-N 3.01Å; E271-K274 IonicContact OE1-NZ 2.65Å; E271-K274 IonicContact OE2-NZ 3.91Å; K274-M276 PolarHBondContact O-N 3.1Å; K274-C277 PolarHBondContact O-N 3.26Å; K274-I278 HydrophobicContact CG-CD1 4.11Å; K274-I278 VanDerWaalsContact O-CG1 3.32Å; K274-I278 WeakPolarHBondContact O-CG1 3Å; K274-I278 PolarHBondContact O-N 2.72Å
275	E	73.8	Confident	66.9	Low	81 Å²	81	66.1 Å²	66.1	38%	0.379	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-38.8	176.9	-71.6	-167.5	133.6	0	0	112.9	E271 K272 I278 T279 R286	E271-E275 VanDerWaalsContact O-CG 3.31Å; E271-E275 WeakPolarHBondContact O-CG 3.31Å; E271-E275 PolarHBondContact O-N 3.15Å; K272-E275 PolarHBondContact O-N 3.11Å; E275-I278 PolarHBondContact O-N 3.11Å; E275-T279 VanDerWaalsContact O-CB 3.28Å; E275-T279 WeakPolarHBondContact O-CB 3.41Å; E275-T279 PolarHBondContact O-N 3.26Å; E275-T279 PolarHBondContact O-OG1 2.98Å; E275-R286 IonicContact OE1-CZ 3.07Å; E275-R286 IonicContact OE1-NH1 3.9Å; E275-R286 PolarHBondContact OE1-NH1 2.82Å; E275-R286 IonicContact OE1-NH2 3.71Å
276	M	70.6	Confident	66.2	Low	51 Å²	51	65.9 Å²	65.9	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-42.6	175.7	-71.6	175.8	80.1	0	0	111.5	E120 K272 L273 K274 T279 A280	E120-M276 VanDerWaalsContact CD-CE 3.45Å; E120-M276 HydrophobicContact CG-CE 4.32Å; E120-M276 WeakPolarHBondContact OE1-CE 3.14Å; K272-M276 HydrophobicContact CG-SD 4.12Å; K272-M276 WeakPolarHBondContact O-CB 3.32Å; K272-M276 WeakPolarHBondContact O-CG 3.5Å; K272-M276 PolarHBondContact O-N 3.13Å; L273-M276 PolarHBondContact O-N 2.84Å; K274-M276 PolarHBondContact O-N 3.1Å; M276-T279 PolarHBondContact O-N 3.12Å; M276-A280 VanDerWaalsContact O-CB 3.3Å; M276-A280 WeakPolarHBondContact O-CB 3.42Å; M276-A280 PolarHBondContact O-N 3.48Å
277	C	75.8	Confident	65.4	Low	1 Å²	1	62.6 Å²	62.6	1%	0.007	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-43.9	173.9	-68.5	0	0	0	0	112.4	L73 A76 W236 V239 L273 K274 A280 V281	L73-C277 HydrophobicContact CD2-CB 4.19Å; A76-C277 WeakPolarHBondContact CB-SG 3.41Å; W236-C277 HydrophobicContact CZ3-CB 4.36Å; V239-C277 HydrophobicContact CG1-CB 3.78Å; V239-C277 HydrophobicContact CG2-CB 4.03Å; L273-C277 PolarHBondContact O-N 3.39Å; L273-C277 PolarHBondContact O-SG 3.44Å; K274-C277 PolarHBondContact O-N 3.26Å; C277-A280 WeakPolarHBondContact O-CB 3.43Å; C277-A280 PolarHBondContact O-N 3.3Å; C277-V281 WeakPolarHBondContact O-CG2 3.33Å; C277-V281 PolarHBondContact O-N 3.36Å
278	I	75.9	Confident	64.8	Low	10 Å²	10	61.5 Å²	61.5	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-48.5	176.6	-72.7	167.6	0	0	0	110	E235 W236 V239 K274 E275 A280 V281 C282	E235-I278 HydrophobicContact CB-CB 4.39Å; E235-I278 HydrophobicContact CB-CD1 4.37Å; E235-I278 HydrophobicContact CB-CG1 4Å; E235-I278 HydrophobicContact CB-CG2 3.68Å; E235-I278 HydrophobicContact CG-CG2 4.02Å; W236-I278 HydrophobicContact CB-CD1 4.3Å; W236-I278 HydrophobicContact CE3-CD1 4.27Å; W236-I278 HydrophobicContact CE3-CG1 4.19Å; V239-I278 HydrophobicContact CG2-CG1 4.28Å; K274-I278 HydrophobicContact CG-CD1 4.11Å; K274-I278 VanDerWaalsContact O-CG1 3.32Å; K274-I278 WeakPolarHBondContact O-CG1 3Å; K274-I278 PolarHBondContact O-N 2.72Å; E275-I278 PolarHBondContact O-N 3.11Å; I278-A280 PolarHBondContact O-N 2.89Å; I278-V281 PolarHBondContact O-N 3.02Å; I278-C282 WeakPolarHBondContact O-CB 3.27Å; I278-C282 PolarHBondContact O-N 2.96Å; I278-C282 PolarHBondContact O-SG 3.41Å; I278-C282 VanDerWaalsContact O-SG 3.34Å
279	T	74.3	Confident	64.1	Low	61 Å²	61	62.1 Å²	62.1	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-59.3	-37.6	179.1	-58.5	0	0	0	0	111.5	E275 M276 N283 S284	E275-T279 VanDerWaalsContact O-CB 3.28Å; E275-T279 WeakPolarHBondContact O-CB 3.41Å; E275-T279 PolarHBondContact O-N 3.26Å; E275-T279 PolarHBondContact O-OG1 2.98Å; M276-T279 PolarHBondContact O-N 3.12Å; T279-N283 PolarHBondContact O-N 3.34Å; T279-S284 PolarHBondContact O-N 3.02Å
280	A	72.5	Confident	63.4	Low	13 Å²	13	65.8 Å²	65.8	11%	0.107	35%	0.347	C	S	.	.	H	α-helix	trans	-66.7	-43.5	176.7	0	0	0	0	0	113.7	P72 L73 M276 C277 I278	P72-A280 HydrophobicContact CB-CB 3.69Å; P72-A280 HydrophobicContact CG-CB 3.11Å; L73-A280 HydrophobicContact CG-CB 4.48Å; M276-A280 VanDerWaalsContact O-CB 3.3Å; M276-A280 WeakPolarHBondContact O-CB 3.42Å; M276-A280 PolarHBondContact O-N 3.48Å; C277-A280 WeakPolarHBondContact O-CB 3.43Å; C277-A280 PolarHBondContact O-N 3.3Å; I278-A280 PolarHBondContact O-N 2.89Å
281	V	73.9	Confident	62.1	Low	1 Å²	1	69.9 Å²	69.9	1%	0.006	36%	0.359	C	S	.	.	H	α-helix	trans	-66.1	-50.2	174.5	175.5	0	0	0	0	109	L73 P229 V239 I242 C277 I278 N283	L73-V281 HydrophobicContact CD1-CG2 4Å; L73-V281 HydrophobicContact CD2-CG2 3.91Å; L73-V281 HydrophobicContact CG-CG2 4.46Å; P229-V281 WeakPolarHBondContact CA-O 3.38Å; P229-V281 WeakPolarHBondContact CB-O 3.28Å; V239-V281 HydrophobicContact CG2-CG2 3.76Å; I242-V281 HydrophobicContact CD1-CG2 3.7Å; C277-V281 WeakPolarHBondContact O-CG2 3.33Å; C277-V281 PolarHBondContact O-N 3.36Å; I278-V281 PolarHBondContact O-N 3.02Å; V281-N283 VanDerWaalsContact C-N 3.28Å; V281-N283 PolarHBondContact O-N 2.9Å
282	C	69.1	Low	60.7	Low	17 Å²	17	71.8 Å²	71.8	12%	0.115	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.5	-171.3	-58.1	0	0	0	0	114.5	E235 I278 S284 E285	E235-C282 VanDerWaalsContact CG-SG 3.55Å; I278-C282 WeakPolarHBondContact O-CB 3.27Å; I278-C282 PolarHBondContact O-N 2.96Å; I278-C282 PolarHBondContact O-SG 3.41Å; I278-C282 VanDerWaalsContact O-SG 3.34Å; C282-S284 VanDerWaalsContact C-N 3.27Å; C282-S284 PolarHBondContact O-N 3.27Å; C282-S284 VanDerWaalsContact O-N 3.12Å; C282-E285 WeakPolarHBondContact O-CB 3.33Å; C282-E285 PolarHBondContact O-N 2.93Å
283	N	63.8	Low	59.1	Low	88 Å²	88	74.9 Å²	74.9	47%	0.471	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	48.6	179.6	-81.4	-24.5	0	0	0	113.8	T279 V281 E285	T279-N283 PolarHBondContact O-N 3.34Å; V281-N283 VanDerWaalsContact C-N 3.28Å; V281-N283 PolarHBondContact O-N 2.9Å; N283-E285 PolarHBondContact O-N 3.19Å; N283-E285 VanDerWaalsContact O-N 3.11Å
284	S	55.6	Low	57.6	Low	89 Å²	89	82.5 Å²	82.5	62%	0.622	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	6.7	-177	69.4	0	0	0	0	117.1	T279 C282 R286 A287	T279-S284 PolarHBondContact O-N 3.02Å; C282-S284 VanDerWaalsContact C-N 3.27Å; C282-S284 PolarHBondContact O-N 3.27Å; C282-S284 VanDerWaalsContact O-N 3.12Å; S284-R286 PolarHBondContact O-N 3.26Å; S284-R286 VanDerWaalsContact O-N 3.07Å; S284-A287 PolarHBondContact O-N 3.32Å
285	E	52.1	Low	56.8	Low	91 Å²	91	84 Å²	84	43%	0.425	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-1.9	177.3	-65.3	-150.6	131.4	0	0	114.4	C282 N283 A287 K288 T289	C282-E285 WeakPolarHBondContact O-CB 3.33Å; C282-E285 PolarHBondContact O-N 2.93Å; N283-E285 PolarHBondContact O-N 3.19Å; N283-E285 VanDerWaalsContact O-N 3.11Å; E285-A287 PolarHBondContact O-N 3.23Å; E285-K288 PolarHBondContact O-N 3.13Å; E285-K288 IonicContact OE1-NZ 3.15Å; E285-K288 PolarHBondContact OE1-NZ 2.87Å; E285-K288 VanDerWaalsContact OE1-NZ 3.07Å; E285-T289 PolarHBondContact O-N 3.39Å; E285-T289 PolarHBondContact O-OG1 3.18Å
286	R	49.6	Very low	55.9	Low	91 Å²	91	84.2 Å²	84.2	34%	0.343	44%	0.44	S	S	.	.	H	α-helix	trans	-48.7	-35.8	170.2	-147.4	-179.6	-175	-166.2	-1.4	111.4	E275 S284 K288 T289 D290	E275-R286 IonicContact OE1-CZ 3.07Å; E275-R286 IonicContact OE1-NH1 3.9Å; E275-R286 PolarHBondContact OE1-NH1 2.82Å; E275-R286 IonicContact OE1-NH2 3.71Å; S284-R286 PolarHBondContact O-N 3.26Å; S284-R286 VanDerWaalsContact O-N 3.07Å; R286-K288 VanDerWaalsContact C-N 3.31Å; R286-K288 PolarHBondContact O-N 2.77Å; R286-T289 PolarHBondContact O-OG1 3.18Å; R286-D290 PolarHBondContact O-N 3.17Å
287	A	43.5	Very low	55.1	Low	68 Å²	68	86 Å²	86	56%	0.562	45%	0.451	S	S	*	.	H	α-helix	trans	-69.6	-20.9	177.5	0	0	0	0	0	114.6	S284 E285 Q291	S284-A287 PolarHBondContact O-N 3.32Å; E285-A287 PolarHBondContact O-N 3.23Å; A287-Q291 WeakPolarHBondContact O-CG 3.49Å
288	K	43	Very low	53.9	Low	133 Å²	133	91 Å²	91	58%	0.578	48%	0.477	S	S	*	.	H	α-helix	trans	-91.6	-33.8	178.6	-68.5	-177.6	-174.2	167.9	0	112.3	E285 R286	E285-K288 PolarHBondContact O-N 3.13Å; E285-K288 IonicContact OE1-NZ 3.15Å; E285-K288 PolarHBondContact OE1-NZ 2.87Å; E285-K288 VanDerWaalsContact OE1-NZ 3.07Å; R286-K288 VanDerWaalsContact C-N 3.31Å; R286-K288 PolarHBondContact O-N 2.77Å
289	T	43.4	Very low	52.5	Low	63 Å²	63	96.1 Å²	96.1	39%	0.387	50%	0.504	S	S	.	.	H	α-helix	trans	-76.7	-35.7	178.3	42.1	0	0	0	0	112.5	E285 R286 Q291 M292	E285-T289 PolarHBondContact O-N 3.39Å; E285-T289 PolarHBondContact O-OG1 3.18Å; R286-T289 PolarHBondContact O-OG1 3.18Å; T289-Q291 PolarHBondContact O-N 2.77Å; T289-M292 PolarHBondContact O-N 3.27Å
290	D	45.8	Very low	51.1	Low	113 Å²	113	98.4 Å²	98.4	60%	0.604	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.2	173.2	-78.7	-19.9	0	0	0	112.9	R286	R286-D290 PolarHBondContact O-N 3.17Å
291	Q	40.9	Very low	49.6	Very low	155 Å²	155	104.5 Å²	104.5	72%	0.724	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.5	175.1	-72.9	-174.8	-7.4	0	0	114.4	A287 T289	A287-Q291 WeakPolarHBondContact O-CG 3.49Å; T289-Q291 PolarHBondContact O-N 2.77Å
292	M	40.1	Very low	47.7	Very low	162 Å²	162	112.5 Å²	112.5	80%	0.798	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-9.4	177.8	-98.5	-174.1	162.5	0	0	113.6	T289	T289-M292 PolarHBondContact O-N 3.27Å
293	Y	35.7	Very low	45.9	Very low	209 Å²	209	120.4 Å²	120.4	82%	0.82	62%	0.621	S	S	*	*			trans	-119.5	23.2	-176.9	-74.8	-77.9	0	0	0	114.3
294	T	37.4	Very low	44.3	Very low	183 Å²	183	123.4 Å²	123.4	100%	1.123	64%	0.635	S	S	*	*			trans	-116.5	0	159.4	33.7	0	0	0	0	109.9

Retrieved 294 of 294 residues in 381.9 ms (Link to these results)

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