G4VS02_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VS02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 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	35.4	Very low	30.4	Very low	228 Å²	228	153.6 Å²	153.6	100%	1.123	81%	0.806	S	S	*	*				0	95.9	0	-66.2	177.1	-164.9	0	0	107.2	H3	M1-H3 PolarHBondContact O-N 3.32Å
2	V	31.3	Very low	31.3	Very low	138 Å²	138	157.1 Å²	157.1	84%	0.836	82%	0.815	S	S	*	*			trans	-85.3	103.6	-177	-173.9	0	0	0	0	107	S4	V2-S4 PolarHBondContact O-N 3.43Å; V2-S4 PolarHBondContact O-OG 3.01Å
3	H	27.9	Very low	32.9	Very low	169 Å²	169	152.7 Å²	152.7	78%	0.782	80%	0.799	S	S	*	*			trans	-62	105.3	174.3	-81.3	-86.9	0	0	0	108.9	M1 I5	M1-H3 PolarHBondContact O-N 3.32Å; H3-I5 PolarHBondContact O-N 3.21Å
4	S	28.8	Very low	35.3	Very low	111 Å²	111	152.6 Å²	152.6	78%	0.776	80%	0.8	S	S	*	*			trans	-81	94.3	175.4	-54	0	0	0	0	107	V2 S6	V2-S4 PolarHBondContact O-N 3.43Å; V2-S4 PolarHBondContact O-OG 3.01Å; S4-S6 PolarHBondContact O-N 3.27Å; S4-S6 VanDerWaalsContact O-N 3.12Å
5	I	27.9	Very low	37.9	Very low	143 Å²	143	152.1 Å²	152.1	73%	0.733	78%	0.783	S	S	*	*			trans	-74.1	100.4	172.5	-59.8	173.6	0	0	0	106.5	H3 Y7	H3-I5 PolarHBondContact O-N 3.21Å; I5-Y7 PolarHBondContact O-N 3.12Å
6	S	27	Very low	40.3	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	75%	0.747	S	S	*	*			trans	-66.1	112.2	171.3	46.1	0	0	0	0	109.2	S4 E8	S4-S6 PolarHBondContact O-N 3.27Å; S4-S6 VanDerWaalsContact O-N 3.12Å; S6-E8 PolarHBondContact O-N 3.29Å; S6-E8 VanDerWaalsContact O-N 3.09Å
7	Y	26.1	Very low	42.5	Very low	228 Å²	228	140.7 Å²	140.7	89%	0.894	73%	0.727	S	S	*	*			trans	-70	97.8	169.2	-98.6	-96.6	0	0	0	109	I5 S9	I5-Y7 PolarHBondContact O-N 3.12Å; Y7-S9 PolarHBondContact O-N 3.09Å
8	E	27.4	Very low	44.3	Very low	162 Å²	162	133.1 Å²	133.1	76%	0.757	69%	0.688	S	S	*	*			trans	-69	113.9	167.2	-71	-178.3	160.7	0	0	108.9	S6 E10	S6-E8 PolarHBondContact O-N 3.29Å; S6-E8 VanDerWaalsContact O-N 3.09Å; E8-E10 VanDerWaalsContact C-N 3.33Å; E8-E10 PolarHBondContact O-N 3.02Å
9	S	30.1	Very low	46.1	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	69%	0.694	S	S	*	*			trans	-76.3	81.5	176.5	57.1	0	0	0	0	110.4	Y7 D11	Y7-S9 PolarHBondContact O-N 3.09Å; S9-D11 PolarHBondContact O-N 3.28Å; S9-D11 VanDerWaalsContact O-N 3.13Å
10	E	33.3	Very low	47.3	Very low	177 Å²	177	137 Å²	137	83%	0.827	69%	0.692	S	S	*	*			trans	-75.8	86	168.6	-71.2	-173.9	154.4	0	0	110.7	E8	E8-E10 VanDerWaalsContact C-N 3.33Å; E8-E10 PolarHBondContact O-N 3.02Å
11	D	39.6	Very low	48.6	Very low	120 Å²	120	132.1 Å²	132.1	64%	0.642	67%	0.67	S	S	*	*			trans	-147.3	31.3	159	-144.8	1.9	0	0	0	112.6	S9 T13	S9-D11 PolarHBondContact O-N 3.28Å; S9-D11 VanDerWaalsContact O-N 3.13Å; D11-T13 PolarHBondContact O-N 2.57Å
12	Q	40.4	Very low	50.5	Low	195 Å²	195	125.9 Å²	125.9	91%	0.911	65%	0.649	S	S	*	*			trans	-76.1	78.3	161.9	-99.8	176.2	-2.8	0	0	108.6	D14	Q12-D14 PolarHBondContact O-N 2.86Å
13	T	52.4	Low	52.4	Low	100 Å²	100	124.3 Å²	124.3	61%	0.613	63%	0.63	S	S	*	*			trans	-55.8	106.6	164.8	48.6	0	0	0	0	108.8	D11 R15	D11-T13 PolarHBondContact O-N 2.57Å; T13-R15 VanDerWaalsContact C-N 3.33Å; T13-R15 PolarHBondContact O-N 3.45Å
14	D	66	Low	54.2	Low	151 Å²	151	119.7 Å²	119.7	81%	0.807	62%	0.617	S	S	*	*			trans	-62.1	86.6	-172	-165.8	10.9	0	0	0	110.7	Q12 P16	Q12-D14 PolarHBondContact O-N 2.86Å; D14-P16 WeakPolarHBondContact O-CD 3.37Å
15	R	74.7	Confident	56.2	Low	146 Å²	146	116 Å²	116	55%	0.551	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-70.5	122.3	-178.8	-79.4	-174.9	-176.8	-133.5	-1.3	108.1	T13 I17 F25	T13-R15 VanDerWaalsContact C-N 3.33Å; T13-R15 PolarHBondContact O-N 3.45Å; R15-I17 WeakPolarHBondContact O-CG1 3.25Å; R15-I17 PolarHBondContact O-N 3.01Å; R15-I17 VanDerWaalsContact O-N 3.13Å; R15-F25 WeakPolarHBondContact CB-O 3.2Å
16	P	77.2	Confident	58.3	Low	30 Å²	30	116 Å²	116	20%	0.195	58%	0.582	C	S	.	*	P	Polyproline II helix	trans	-56.7	121.6	-176.7	18.6	-30	0	0	0	111.3	D14 F25 S27 L31	D14-P16 WeakPolarHBondContact O-CD 3.37Å; P16-F25 WeakPolarHBondContact CD-O 3.39Å; P16-F25 HydrophobicContact CG-CB 4.4Å; P16-F25 WeakPolarHBondContact O-CB 3.36Å; P16-F25 PolarHBondContact O-N 3.16Å; P16-S27 VanDerWaalsContact CG-C 3.45Å; P16-L31 HydrophobicContact CB-CB 4.13Å; P16-L31 HydrophobicContact CB-CD2 3.64Å; P16-L31 HydrophobicContact CB-CG 4.48Å
17	I	76.5	Confident	60.7	Low	80 Å²	80	113.4 Å²	113.4	41%	0.41	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-102.2	140.6	-175.7	-50.3	-176.8	0	0	0	110.3	R15 Q19 K23	R15-I17 WeakPolarHBondContact O-CG1 3.25Å; R15-I17 PolarHBondContact O-N 3.01Å; R15-I17 VanDerWaalsContact O-N 3.13Å; I17-Q19 PolarHBondContact O-N 3.28Å; I17-K23 CarbonylContact C-O 3.19Å; I17-K23 WeakPolarHBondContact CA-O 3.5Å
18	C	75.1	Confident	63.1	Low	3 Å²	3	112.3 Å²	112.3	2%	0.02	56%	0.558	C	S	.	*			trans	-77.5	111.1	167.6	-179.4	0	0	0	0	110.2	R20 C21 S22 K23 F25 L31 H34	C18-R20 PolarHBondContact O-N 3.13Å; C18-C21 PolarHBondContact O-N 2.85Å; C18-S22 VanDerWaalsContact O-CA 3.23Å; C18-S22 WeakPolarHBondContact O-CA 3.37Å; C18-S22 PolarHBondContact O-N 2.8Å; C18-K23 PolarHBondContact N-O 3.19Å; C18-F25 HydrophobicContact CB-CE2 3.86Å; C18-L31 HydrophobicContact CB-CD1 3.68Å; C18-H34 WeakPolarHBondContact CB-CD2 3.24Å; C18-H34 WeakPolarHBondContact CB-NE2 3.4Å; C18-H34 VanDerWaalsContact SG-CD2 3.52Å; C18-H34 PolarHBondContact SG-NE2 2.75Å
19	Q	79.3	Confident	65.4	Low	173 Å²	173	111.4 Å²	111.4	81%	0.808	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-15.9	-179.5	-61.6	-61.9	-20.9	0	0	114.4	I17	I17-Q19 PolarHBondContact O-N 3.28Å
20	R	70.5	Confident	67.6	Low	172 Å²	172	107.9 Å²	107.9	65%	0.649	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-31.1	179.7	-68.6	-173.7	-174.9	144.2	-1.7	114.9	C18 S39	C18-R20 PolarHBondContact O-N 3.13Å; R20-S39 PolarHBondContact NH1-OG 3.11Å
21	C	74	Confident	69.6	Low	34 Å²	34	100.5 Å²	100.5	23%	0.23	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	7.8	-177	74.1	0	0	0	0	113.5	C18 K23 H34	C18-C21 PolarHBondContact O-N 2.85Å; C21-K23 PolarHBondContact O-N 3.26Å; C21-K23 VanDerWaalsContact SG-CG 3.53Å; C21-H34 PolarHBondContact SG-CE1 3.05Å; C21-H34 PolarHBondContact SG-NE2 3.21Å
22	S	75.3	Confident	71.4	Confident	97 Å²	97	101.2 Å²	101.2	68%	0.678	50%	0.495	S	S	*	.			trans	55.6	20.7	177.6	-49.7	0	0	0	0	114.8	C18	C18-S22 VanDerWaalsContact O-CA 3.23Å; C18-S22 WeakPolarHBondContact O-CA 3.37Å; C18-S22 PolarHBondContact O-N 2.8Å
23	K	71.1	Confident	72.8	Confident	105 Å²	105	94.3 Å²	94.3	46%	0.457	46%	0.463	S	S	.	.			trans	-76.4	130.7	174.8	-71.8	-177.6	-176.9	-174.9	0	110.2	I17 C18 C21 F25	I17-K23 CarbonylContact C-O 3.19Å; I17-K23 WeakPolarHBondContact CA-O 3.5Å; C18-K23 PolarHBondContact N-O 3.19Å; C21-K23 PolarHBondContact O-N 3.26Å; C21-K23 VanDerWaalsContact SG-CG 3.53Å; K23-F25 HydrophobicContact CB-CE2 3.65Å; K23-F25 HydrophobicContact CB-CZ 3.73Å; K23-F25 VanDerWaalsContact O-CD2 3.25Å; K23-F25 WeakPolarHBondContact O-CD2 3.32Å; K23-F25 WeakPolarHBondContact O-CE2 3.36Å
24	S	64.7	Low	73.8	Confident	72 Å²	72	90.9 Å²	90.9	50%	0.503	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-87.9	141.4	173.8	66.8	0	0	0	0	111.7
25	F	71.9	Confident	74.1	Confident	34 Å²	34	86.1 Å²	86.1	15%	0.149	42%	0.416	C	S	.	.			trans	-119.2	156.6	-177.4	-67.4	-86.8	0	0	0	112.3	R15 P16 C18 K23 S27 L31 H34	R15-F25 WeakPolarHBondContact CB-O 3.2Å; P16-F25 WeakPolarHBondContact CD-O 3.39Å; P16-F25 HydrophobicContact CG-CB 4.4Å; P16-F25 WeakPolarHBondContact O-CB 3.36Å; P16-F25 PolarHBondContact O-N 3.16Å; C18-F25 HydrophobicContact CB-CE2 3.86Å; K23-F25 HydrophobicContact CB-CE2 3.65Å; K23-F25 HydrophobicContact CB-CZ 3.73Å; K23-F25 VanDerWaalsContact O-CD2 3.25Å; K23-F25 WeakPolarHBondContact O-CD2 3.32Å; K23-F25 WeakPolarHBondContact O-CE2 3.36Å; F25-S27 VanDerWaalsContact C-N 3.33Å; F25-L31 HydrophobicContact CB-CB 4.04Å; F25-L31 HydrophobicContact CD2-CB 4.01Å; F25-L31 HydrophobicContact CD2-CD1 3.53Å; F25-L31 HydrophobicContact CD2-CG 4.37Å; F25-L31 HydrophobicContact CE2-CD1 3.83Å; F25-L31 HydrophobicContact CG-CB 4.06Å; F25-L31 HydrophobicContact CG-CD1 4.4Å; F25-H34 HydrophobicContact CD1-CB 4.13Å; F25-H34 HydrophobicContact CE1-CB 3.39Å; F25-H34 AromaticContact CE1-CG 3.55Å; F25-H34 AromaticContact CE1-ND1 3.95Å; F25-H34 HydrophobicContact CE2-CB 3.98Å; F25-H34 AromaticContact CE2-CD2 3.37Å; F25-H34 WeakPolarHBondContact CE2-CD2 3.16Å; F25-H34 AromaticContact CE2-CG 3.59Å; F25-H34 AromaticContact CE2-NE2 3.91Å; F25-H34 HydrophobicContact CZ-CB 3.35Å; F25-H34 AromaticContact CZ-CD2 3.24Å; F25-H34 WeakPolarHBondContact CZ-CD2 3.43Å; F25-H34 AromaticContact CZ-CE1 3.76Å; F25-H34 AromaticContact CZ-CG 2.96Å; F25-H34 AromaticContact CZ-ND1 3.35Å; F25-H34 VanDerWaalsContact CZ-ND1 3.35Å; F25-H34 WeakPolarHBondContact CZ-ND1 3.4Å; F25-H34 AromaticContact CZ-NE2 3.71Å
26	K	72.7	Confident	73.8	Confident	142 Å²	142	83.7 Å²	83.7	62%	0.617	41%	0.411	S	S	*	.	S	Bend	trans	-74.4	-24.7	179.6	64	178.2	178.6	180	0	113	T30	K26-T30 HydrophobicContact CG-CG2 4.18Å
27	S	76.1	Confident	73.3	Confident	42 Å²	42	84.2 Å²	84.2	29%	0.294	41%	0.413	S	S	.	.	S	Bend	trans	-152.4	158.1	179.7	73.8	0	0	0	0	111.6	P16 F25 L29 T30 L31	P16-S27 VanDerWaalsContact CG-C 3.45Å; F25-S27 VanDerWaalsContact C-N 3.33Å; S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3.16Å; S27-T30 PolarHBondContact N-OG1 3.34Å; S27-T30 VanDerWaalsContact N-OG1 3.15Å; S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 VanDerWaalsContact O-N 3.15Å; S27-T30 PolarHBondContact O-OG1 3.27Å; S27-T30 PolarHBondContact OG-N 3.23Å; S27-T30 PolarHBondContact OG-OG1 3.47Å; S27-L31 PolarHBondContact O-N 2.88Å
28	R	77.6	Confident	72.9	Confident	205 Å²	205	81.2 Å²	81.2	77%	0.774	40%	0.399	S	S	*	.	H	α-helix	trans	-59.9	-36.2	176.6	-166.2	104.4	139.4	138.2	-0.3	112.2	L31 K32	R28-L31 PolarHBondContact O-N 3.39Å; R28-K32 PolarHBondContact O-N 3.03Å
29	L	76	Confident	72.6	Confident	143 Å²	143	84.1 Å²	84.1	75%	0.749	42%	0.419	S	S	*	.	H	α-helix	trans	-60.5	-46.2	174	-73.7	163.7	0	0	0	111.7	S27 L31 K32 H33	S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact O-N 3.16Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.26Å; L29-K32 PolarHBondContact O-N 3.43Å; L29-H33 PolarHBondContact O-N 3.45Å
30	T	74.8	Confident	72	Confident	45 Å²	45	78.8 Å²	78.8	28%	0.276	40%	0.396	S	S	.	.	H	α-helix	trans	-68.2	-33.1	176.7	54.6	0	0	0	0	112.9	K26 S27 H34	K26-T30 HydrophobicContact CG-CG2 4.18Å; S27-T30 PolarHBondContact N-OG1 3.34Å; S27-T30 VanDerWaalsContact N-OG1 3.15Å; S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 VanDerWaalsContact O-N 3.15Å; S27-T30 PolarHBondContact O-OG1 3.27Å; S27-T30 PolarHBondContact OG-N 3.23Å; S27-T30 PolarHBondContact OG-OG1 3.47Å; T30-H34 WeakPolarHBondContact O-CB 3.29Å; T30-H34 PolarHBondContact O-N 3.44Å
31	L	76.1	Confident	71.6	Confident	22 Å²	22	78.2 Å²	78.2	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-63.9	-46.8	170.8	171.7	62.9	0	0	0	110.9	P16 C18 F25 S27 R28 L29 H33 H34 T35	P16-L31 HydrophobicContact CB-CB 4.13Å; P16-L31 HydrophobicContact CB-CD2 3.64Å; P16-L31 HydrophobicContact CB-CG 4.48Å; C18-L31 HydrophobicContact CB-CD1 3.68Å; F25-L31 HydrophobicContact CB-CB 4.04Å; F25-L31 HydrophobicContact CD2-CB 4.01Å; F25-L31 HydrophobicContact CD2-CD1 3.53Å; F25-L31 HydrophobicContact CD2-CG 4.37Å; F25-L31 HydrophobicContact CE2-CD1 3.83Å; F25-L31 HydrophobicContact CG-CB 4.06Å; F25-L31 HydrophobicContact CG-CD1 4.4Å; S27-L31 PolarHBondContact O-N 2.88Å; R28-L31 PolarHBondContact O-N 3.39Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.26Å; L31-H33 VanDerWaalsContact C-N 3.33Å; L31-H33 PolarHBondContact O-N 2.75Å; L31-H34 CarbonylContact O-C 3.13Å; L31-H34 WeakPolarHBondContact O-CA 3.46Å; L31-H34 WeakPolarHBondContact O-CB 3.44Å; L31-H34 PolarHBondContact O-N 2.84Å; L31-H34 VanDerWaalsContact O-N 3.1Å; L31-T35 HydrophobicContact CD1-CG2 3.87Å; L31-T35 HydrophobicContact CG-CG2 4.27Å; L31-T35 WeakPolarHBondContact O-CG2 3.47Å; L31-T35 PolarHBondContact O-N 2.95Å; L31-T35 PolarHBondContact O-OG1 3.06Å
32	K	76.5	Confident	71	Confident	135 Å²	135	84.3 Å²	84.3	59%	0.587	43%	0.425	S	S	*	.	H	α-helix	trans	-56.7	-48.6	179.4	-172.1	179.6	177.9	-176.6	0	110.9	R28 L29 H34 T35 E36	R28-K32 PolarHBondContact O-N 3.03Å; L29-K32 PolarHBondContact O-N 3.43Å; K32-H34 VanDerWaalsContact C-N 3.33Å; K32-H34 PolarHBondContact O-N 3.41Å; K32-T35 WeakPolarHBondContact CA-OG1 3.35Å; K32-T35 PolarHBondContact O-N 2.74Å; K32-T35 VanDerWaalsContact O-N 3.12Å; K32-T35 PolarHBondContact O-OG1 2.91Å; K32-E36 PolarHBondContact O-N 3.15Å
33	H	69.7	Low	70.6	Confident	50 Å²	50	81 Å²	81	23%	0.231	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-39.7	176.3	-175.1	49	0	0	0	112.5	L29 L31 T35 E36 V37 I60 Y343	L29-H33 PolarHBondContact O-N 3.45Å; L31-H33 VanDerWaalsContact C-N 3.33Å; L31-H33 PolarHBondContact O-N 2.75Å; H33-T35 VanDerWaalsContact C-N 3.33Å; H33-T35 PolarHBondContact O-N 3.24Å; H33-E36 IonicContact CE1-OE2 3.73Å; H33-E36 IonicContact ND1-OE2 3.67Å; H33-E36 PolarHBondContact ND1-OE2 3.34Å; H33-E36 VanDerWaalsContact ND1-OE2 3.16Å; H33-E36 WeakPolarHBondContact O-CB 3.36Å; H33-E36 PolarHBondContact O-N 3.28Å; H33-V37 PolarHBondContact O-N 3.02Å; H33-I60 WeakPolarHBondContact CE1-CD1 2.88Å; H33-Y343 PolarHBondContact CD2-OH 3.31Å; H33-Y343 PolarHBondContact CE1-OH 3.38Å; H33-Y343 PolarHBondContact NE2-OH 3.44Å
34	H	74.2	Confident	70.7	Confident	28 Å²	28	82.5 Å²	82.5	13%	0.13	41%	0.41	C	S	.	.	H	α-helix	trans	-62.3	-39.6	173.2	167.7	77.1	0	0	0	112.5	C18 C21 F25 T30 L31 K32 E36 V37 C38	C18-H34 WeakPolarHBondContact CB-CD2 3.24Å; C18-H34 WeakPolarHBondContact CB-NE2 3.4Å; C18-H34 VanDerWaalsContact SG-CD2 3.52Å; C18-H34 PolarHBondContact SG-NE2 2.75Å; C21-H34 PolarHBondContact SG-CE1 3.05Å; C21-H34 PolarHBondContact SG-NE2 3.21Å; F25-H34 HydrophobicContact CD1-CB 4.13Å; F25-H34 HydrophobicContact CE1-CB 3.39Å; F25-H34 AromaticContact CE1-CG 3.55Å; F25-H34 AromaticContact CE1-ND1 3.95Å; F25-H34 HydrophobicContact CE2-CB 3.98Å; F25-H34 AromaticContact CE2-CD2 3.37Å; F25-H34 WeakPolarHBondContact CE2-CD2 3.16Å; F25-H34 AromaticContact CE2-CG 3.59Å; F25-H34 AromaticContact CE2-NE2 3.91Å; F25-H34 HydrophobicContact CZ-CB 3.35Å; F25-H34 AromaticContact CZ-CD2 3.24Å; F25-H34 WeakPolarHBondContact CZ-CD2 3.43Å; F25-H34 AromaticContact CZ-CE1 3.76Å; F25-H34 AromaticContact CZ-CG 2.96Å; F25-H34 AromaticContact CZ-ND1 3.35Å; F25-H34 VanDerWaalsContact CZ-ND1 3.35Å; F25-H34 WeakPolarHBondContact CZ-ND1 3.4Å; F25-H34 AromaticContact CZ-NE2 3.71Å; T30-H34 WeakPolarHBondContact O-CB 3.29Å; T30-H34 PolarHBondContact O-N 3.44Å; L31-H34 CarbonylContact O-C 3.13Å; L31-H34 WeakPolarHBondContact O-CA 3.46Å; L31-H34 WeakPolarHBondContact O-CB 3.44Å; L31-H34 PolarHBondContact O-N 2.84Å; L31-H34 VanDerWaalsContact O-N 3.1Å; K32-H34 VanDerWaalsContact C-N 3.33Å; K32-H34 PolarHBondContact O-N 3.41Å; H34-E36 VanDerWaalsContact C-N 3.27Å; H34-E36 PolarHBondContact O-N 2.88Å; H34-V37 CarbonylContact O-C 3.53Å; H34-V37 PolarHBondContact O-N 3.18Å; H34-C38 WeakPolarHBondContact O-CB 3.23Å; H34-C38 PolarHBondContact O-N 3.11Å
35	T	72.6	Confident	71.3	Confident	50 Å²	50	80.4 Å²	80.4	31%	0.307	40%	0.395	S	S	.	.	H	α-helix	trans	-64.2	-33	-179.7	50.1	0	0	0	0	112.1	L31 K32 H33 C38 S39	L31-T35 HydrophobicContact CD1-CG2 3.87Å; L31-T35 HydrophobicContact CG-CG2 4.27Å; L31-T35 WeakPolarHBondContact O-CG2 3.47Å; L31-T35 PolarHBondContact O-N 2.95Å; L31-T35 PolarHBondContact O-OG1 3.06Å; K32-T35 WeakPolarHBondContact CA-OG1 3.35Å; K32-T35 PolarHBondContact O-N 2.74Å; K32-T35 VanDerWaalsContact O-N 3.12Å; K32-T35 PolarHBondContact O-OG1 2.91Å; H33-T35 VanDerWaalsContact C-N 3.33Å; H33-T35 PolarHBondContact O-N 3.24Å; T35-C38 PolarHBondContact O-N 3.3Å; T35-S39 WeakPolarHBondContact O-CB 3.48Å; T35-S39 PolarHBondContact O-N 2.91Å; T35-S39 PolarHBondContact O-OG 3.31Å
36	E	68.4	Low	71.6	Confident	95 Å²	95	88.9 Å²	88.9	44%	0.444	43%	0.426	S	S	.	.	H	α-helix	trans	-61.6	-48.4	171.7	-66.3	160.1	-175.3	0	0	110.9	K32 H33 H34	K32-E36 PolarHBondContact O-N 3.15Å; H33-E36 IonicContact CE1-OE2 3.73Å; H33-E36 IonicContact ND1-OE2 3.67Å; H33-E36 PolarHBondContact ND1-OE2 3.34Å; H33-E36 VanDerWaalsContact ND1-OE2 3.16Å; H33-E36 WeakPolarHBondContact O-CB 3.36Å; H33-E36 PolarHBondContact O-N 3.28Å; H34-E36 VanDerWaalsContact C-N 3.27Å; H34-E36 PolarHBondContact O-N 2.88Å
37	V	65.6	Low	71.9	Confident	42 Å²	42	85.7 Å²	85.7	26%	0.255	41%	0.412	S	S	.	.	H	α-helix	trans	-71	-35.6	178.9	-176.6	0	0	0	0	112.2	H33 H34 N40 T58	H33-V37 PolarHBondContact O-N 3.02Å; H34-V37 CarbonylContact O-C 3.53Å; H34-V37 PolarHBondContact O-N 3.18Å; V37-N40 PolarHBondContact O-N 3.42Å; V37-T58 HydrophobicContact CG1-CG2 4.49Å; V37-T58 HydrophobicContact CG2-CG2 4.39Å
38	C	69.5	Low	72.1	Confident	17 Å²	17	86 Å²	86	12%	0.115	41%	0.414	C	S	.	.	H	α-helix	trans	-71.9	-31.9	-180	-168.1	0	0	0	0	111.9	H34 T35 N40 R41	H34-C38 WeakPolarHBondContact O-CB 3.23Å; H34-C38 PolarHBondContact O-N 3.11Å; T35-C38 PolarHBondContact O-N 3.3Å; C38-N40 PolarHBondContact O-N 2.68Å; C38-R41 PolarHBondContact O-N 3.02Å
39	S	69	Low	72.2	Confident	63 Å²	63	76.2 Å²	76.2	44%	0.441	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-36.7	171	-57.9	0	0	0	0	111.3	R20 T35 R41	R20-S39 PolarHBondContact NH1-OG 3.11Å; T35-S39 WeakPolarHBondContact O-CB 3.48Å; T35-S39 PolarHBondContact O-N 2.91Å; T35-S39 PolarHBondContact O-OG 3.31Å; S39-R41 VanDerWaalsContact C-N 3.32Å; S39-R41 PolarHBondContact O-N 3.41Å
40	N	65.9	Low	72.6	Confident	61 Å²	61	76.4 Å²	76.4	33%	0.326	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-89	12.4	-175.3	-69.3	-18.4	0	0	0	113.8	V37 C38 N42 S43 R57 T58	V37-N40 PolarHBondContact O-N 3.42Å; C38-N40 PolarHBondContact O-N 2.68Å; N40-N42 PolarHBondContact O-N 3Å; N40-S43 WeakPolarHBondContact CB-OG 3.32Å; N40-S43 PolarHBondContact O-N 2.78Å; N40-S43 PolarHBondContact O-OG 3.33Å; N40-R57 VanDerWaalsContact O-CD 3.23Å; N40-R57 WeakPolarHBondContact O-CD 2.98Å; N40-T58 HydrophobicContact CB-CG2 4.42Å
41	R	61.7	Low	72.6	Confident	161 Å²	161	80 Å²	80	61%	0.608	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-62.1	-32.4	-175.5	-146.5	176.6	-162.2	-158.7	-0.5	112.6	C38 S39	C38-R41 PolarHBondContact O-N 3.02Å; S39-R41 VanDerWaalsContact C-N 3.32Å; S39-R41 PolarHBondContact O-N 3.41Å
42	N	62.5	Low	72.7	Confident	162 Å²	162	81.1 Å²	81.1	87%	0.866	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-103.4	1.4	179.9	-63.6	-7.2	0	0	0	113.3	N40	N40-N42 PolarHBondContact O-N 3Å
43	S	66.1	Low	72.8	Confident	28 Å²	28	82.6 Å²	82.6	20%	0.196	40%	0.401	C	S	.	.	S	Bend	trans	-76.3	141.1	178.8	65.9	0	0	0	0	110.8	N40 R57	N40-S43 WeakPolarHBondContact CB-OG 3.32Å; N40-S43 PolarHBondContact O-N 2.78Å; N40-S43 PolarHBondContact O-OG 3.33Å; S43-R57 WeakPolarHBondContact O-CD 3.34Å; S43-R57 PolarHBondContact O-NE 3.14Å
44	E	74.1	Confident	73	Confident	135 Å²	135	83.4 Å²	83.4	63%	0.631	40%	0.404	S	S	*	.			trans	-57.4	134.5	172.2	-175.3	57.5	-156.4	0	0	110.2	R46	E44-R46 WeakPolarHBondContact O-CG 3.22Å; E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.09Å
45	P	76.3	Confident	73.1	Confident	29 Å²	29	87.5 Å²	87.5	19%	0.188	42%	0.422	C	S	.	.			trans	-58.7	110.6	177.1	-27.3	37	0	0	0	112.8	K55 F56 R57	P45-K55 HydrophobicContact CB-CB 3.5Å; P45-K55 HydrophobicContact CB-CD 4.31Å; P45-K55 HydrophobicContact CG-CB 4.33Å; P45-F56 CarbonylContact C-O 3.48Å; P45-F56 WeakPolarHBondContact CA-O 3.33Å; P45-R57 HydrophobicContact CB-CG 4.36Å; P45-R57 HydrophobicContact CG-CG 4.05Å
46	R	78.9	Confident	73.4	Confident	211 Å²	211	86.6 Å²	86.6	80%	0.796	41%	0.414	S	S	*	.			trans	-87.9	-23.5	-176.5	-56.2	-169.8	-178.2	-152.6	-0.4	114.1	E44 F56	E44-R46 WeakPolarHBondContact O-CG 3.22Å; E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.09Å; R46-F56 PolarHBondContact N-O 3.36Å; R46-F56 VanDerWaalsContact N-O 3.17Å
47	F	78.5	Confident	73.8	Confident	75 Å²	75	87.4 Å²	87.4	33%	0.329	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.1	-174.8	-58.3	-85.8	0	0	0	109.5	K55 F56 D59 Y62	F47-K55 CarbonylContact O-C 3.48Å; F47-K55 WeakPolarHBondContact O-CA 3.33Å; F47-F56 HydrophobicContact CB-CB 4.26Å; F47-F56 PolarHBondContact N-O 3.4Å; F47-F56 VanDerWaalsContact N-O 3.07Å; F47-F56 PolarHBondContact O-N 2.75Å; F47-D59 HydrophobicContact CE1-CB 4.03Å; F47-D59 HydrophobicContact CE2-CB 4.21Å; F47-D59 VanDerWaalsContact CE2-N 3.28Å; F47-D59 HydrophobicContact CZ-CB 3.77Å; F47-Y62 HydrophobicContact CB-CD1 4.33Å; F47-Y62 HydrophobicContact CB-CD2 4.2Å; F47-Y62 HydrophobicContact CB-CG 3.81Å; F47-Y62 HydrophobicContact CD1-CD1 4.36Å; F47-Y62 HydrophobicContact CG-CG 4.46Å
48	C	81.1	Confident	74.1	Confident	49 Å²	49	85.9 Å²	85.9	33%	0.331	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.4	179.4	-169.2	0	0	0	0	109.4	E50 K55	C48-E50 PolarHBondContact O-N 2.86Å; C48-K55 HydrophobicContact CB-CG 4.42Å
49	C	79.8	Confident	74.4	Confident	0 Å²	0	89 Å²	89	0%	0	42%	0.419	C	S	.	.			trans	-70.5	122.1	169	177.6	0	0	0	0	110.1	I51 C52 R53 K54 F56 Y62 H65 I66 H70	C49-I51 PolarHBondContact O-N 3.43Å; C49-I51 PolarHBondContact SG-N 3.36Å; C49-I51 VanDerWaalsContact SG-N 3.42Å; C49-C52 PolarHBondContact SG-N 3.37Å; C49-C52 VanDerWaalsContact SG-N 3.41Å; C49-C52 VanDerWaalsContact SG-SG 3.62Å; C49-R53 WeakPolarHBondContact O-CA 3.48Å; C49-R53 PolarHBondContact O-N 3.02Å; C49-K54 PolarHBondContact N-O 2.88Å; C49-F56 HydrophobicContact CB-CE2 4.28Å; C49-Y62 HydrophobicContact CB-CE2 4.01Å; C49-H65 WeakPolarHBondContact CB-NE2 3.36Å; C49-H65 PolarHBondContact SG-NE2 2.78Å; C49-H65 VanDerWaalsContact SG-NE2 3.36Å; C49-I66 HydrophobicContact CB-CD1 4.31Å; C49-H70 PolarHBondContact SG-NE2 2.89Å
50	E	84.4	Confident	74.8	Confident	147 Å²	147	87.5 Å²	87.5	69%	0.687	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.2	179.9	-63.7	179.9	171.9	0	0	112.2	C48	C48-E50 PolarHBondContact O-N 2.86Å
51	I	74.8	Confident	75.2	Confident	119 Å²	119	87 Å²	87	61%	0.61	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-49	-178	-55.3	165.7	0	0	0	111.6	C49 H70	C49-I51 PolarHBondContact O-N 3.43Å; C49-I51 PolarHBondContact SG-N 3.36Å; C49-I51 VanDerWaalsContact SG-N 3.42Å; I51-H70 HydrophobicContact CD1-CB 3.63Å; I51-H70 VanDerWaalsContact CD1-CG 3.48Å; I51-H70 VanDerWaalsContact CG2-CE1 3.43Å; I51-H70 WeakPolarHBondContact CG2-CE1 3.17Å; I51-H70 WeakPolarHBondContact CG2-ND1 3.27Å
52	C	76.8	Confident	76	Confident	47 Å²	47	82.2 Å²	82.2	32%	0.318	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	6.8	-176.1	72.8	0	0	0	0	114.9	C49 K54 H65 H70	C49-C52 PolarHBondContact SG-N 3.37Å; C49-C52 VanDerWaalsContact SG-N 3.41Å; C49-C52 VanDerWaalsContact SG-SG 3.62Å; C52-K54 PolarHBondContact O-N 3.13Å; C52-K54 VanDerWaalsContact SG-CG 3.56Å; C52-H65 PolarHBondContact SG-CE1 2.88Å; C52-H65 PolarHBondContact SG-NE2 3.39Å; C52-H70 PolarHBondContact SG-NE2 3.4Å
53	R	79.5	Confident	76.8	Confident	165 Å²	165	77.5 Å²	77.5	62%	0.623	36%	0.361	S	S	*	.			trans	54.7	18.4	179.1	-54.9	-61.3	-171.3	167.9	1.9	114.7	C49 K243	C49-R53 WeakPolarHBondContact O-CA 3.48Å; C49-R53 PolarHBondContact O-N 3.02Å; R53-K243 VanDerWaalsContact O-CE 3.29Å; R53-K243 WeakPolarHBondContact O-CE 3.39Å; R53-K243 PolarHBondContact O-NZ 3.21Å
54	K	73.4	Confident	77.4	Confident	67 Å²	67	81.7 Å²	81.7	29%	0.291	37%	0.373	S	S	.	.			trans	-69.8	133.5	170.6	-73.4	-169.2	-173	-153.4	0	109.2	C49 C52 F56 K243	C49-K54 PolarHBondContact N-O 2.88Å; C52-K54 PolarHBondContact O-N 3.13Å; C52-K54 VanDerWaalsContact SG-CG 3.56Å; K54-F56 HydrophobicContact CB-CE2 3.67Å; K54-F56 HydrophobicContact CB-CZ 3.62Å; K54-F56 VanDerWaalsContact O-CE2 3.26Å; K54-F56 WeakPolarHBondContact O-CE2 3.44Å; K54-K243 HydrophobicContact CG-CB 4.5Å; K54-K243 HydrophobicContact CG-CD 4.21Å; K54-K243 HydrophobicContact CG-CG 4.06Å; K54-K243 PolarHBondContact NZ-O 2.79Å
55	K	77	Confident	77.6	Confident	114 Å²	114	76.1 Å²	76.1	50%	0.496	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142	180	-56.4	-174.2	177.6	-176.4	0	110.3	P45 F47 C48	P45-K55 HydrophobicContact CB-CB 3.5Å; P45-K55 HydrophobicContact CB-CD 4.31Å; P45-K55 HydrophobicContact CG-CB 4.33Å; F47-K55 CarbonylContact O-C 3.48Å; F47-K55 WeakPolarHBondContact O-CA 3.33Å; C48-K55 HydrophobicContact CB-CG 4.42Å
56	F	78.6	Confident	77.7	Confident	32 Å²	32	76.9 Å²	76.9	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.9	-176.4	-55.3	-86.7	0	0	0	109.9	P45 R46 F47 C49 K54 Q61 Y62 H65	P45-F56 CarbonylContact C-O 3.48Å; P45-F56 WeakPolarHBondContact CA-O 3.33Å; R46-F56 PolarHBondContact N-O 3.36Å; R46-F56 VanDerWaalsContact N-O 3.17Å; F47-F56 HydrophobicContact CB-CB 4.26Å; F47-F56 PolarHBondContact N-O 3.4Å; F47-F56 VanDerWaalsContact N-O 3.07Å; F47-F56 PolarHBondContact O-N 2.75Å; C49-F56 HydrophobicContact CB-CE2 4.28Å; K54-F56 HydrophobicContact CB-CE2 3.67Å; K54-F56 HydrophobicContact CB-CZ 3.62Å; K54-F56 VanDerWaalsContact O-CE2 3.26Å; K54-F56 WeakPolarHBondContact O-CE2 3.44Å; F56-Q61 HydrophobicContact CB-CB 4.03Å; F56-Q61 HydrophobicContact CD1-CB 3.91Å; F56-Q61 HydrophobicContact CG-CB 4.33Å; F56-Y62 AromaticContact CD2-CD2 3.66Å; F56-Y62 HydrophobicContact CD2-CD2 3.66Å; F56-Y62 HydrophobicContact CD2-CG 4.38Å; F56-Y62 HydrophobicContact CE2-CD2 4.07Å; F56-H65 HydrophobicContact CE1-CB 3.65Å; F56-H65 AromaticContact CE1-CG 3.93Å; F56-H65 HydrophobicContact CE2-CB 3.95Å; F56-H65 AromaticContact CE2-CD2 3.23Å; F56-H65 WeakPolarHBondContact CE2-CD2 3.41Å; F56-H65 AromaticContact CE2-CG 3.64Å; F56-H65 AromaticContact CE2-NE2 3.86Å; F56-H65 HydrophobicContact CZ-CB 3.34Å; F56-H65 AromaticContact CZ-CD2 3.23Å; F56-H65 WeakPolarHBondContact CZ-CD2 3.35Å; F56-H65 AromaticContact CZ-CG 3.12Å; F56-H65 AromaticContact CZ-ND1 3.73Å; F56-H65 AromaticContact CZ-NE2 3.82Å
57	R	77.5	Confident	77.8	Confident	112 Å²	112	69.6 Å²	69.6	42%	0.423	32%	0.321	S	S	.	.	S	Bend	trans	-89.1	-27.1	-177.2	-63.5	-173.1	178.4	84.6	-3.7	112.6	N40 S43 P45	N40-R57 VanDerWaalsContact O-CD 3.23Å; N40-R57 WeakPolarHBondContact O-CD 2.98Å; S43-R57 WeakPolarHBondContact O-CD 3.34Å; S43-R57 PolarHBondContact O-NE 3.14Å; P45-R57 HydrophobicContact CB-CG 4.36Å; P45-R57 HydrophobicContact CG-CG 4.05Å
58	T	71.8	Confident	77.6	Confident	9 Å²	9	69.8 Å²	69.8	6%	0.055	32%	0.321	C	S	.	.	S	Bend	trans	-122.7	150.4	177.8	73.4	0	0	0	0	110.3	V37 N40 I60 Q61 Y62	V37-T58 HydrophobicContact CG1-CG2 4.49Å; V37-T58 HydrophobicContact CG2-CG2 4.39Å; N40-T58 HydrophobicContact CB-CG2 4.42Å; T58-I60 VanDerWaalsContact C-N 3.3Å; T58-I60 PolarHBondContact O-N 3.38Å; T58-Q61 WeakPolarHBondContact O-CB 3.42Å; T58-Q61 PolarHBondContact O-N 2.81Å; T58-Q61 VanDerWaalsContact OG1-CG 3.23Å; T58-Q61 WeakPolarHBondContact OG1-CG 2.8Å; T58-Q61 PolarHBondContact OG1-N 3.09Å; T58-Y62 PolarHBondContact O-N 3.29Å; T58-Y62 VanDerWaalsContact O-N 3.11Å
59	D	76	Confident	77.1	Confident	84 Å²	84	71.2 Å²	71.2	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-55.4	-44.4	171.9	66.5	-43.5	0	0	0	110.9	F47 Q61 Y62 T63	F47-D59 HydrophobicContact CE1-CB 4.03Å; F47-D59 HydrophobicContact CE2-CB 4.21Å; F47-D59 VanDerWaalsContact CE2-N 3.28Å; F47-D59 HydrophobicContact CZ-CB 3.77Å; D59-Q61 VanDerWaalsContact C-N 3.29Å; D59-Q61 PolarHBondContact O-N 3.24Å; D59-Y62 CarbonylContact O-C 3.51Å; D59-Y62 WeakPolarHBondContact O-CA 3.04Å; D59-Y62 WeakPolarHBondContact O-CB 3.25Å; D59-Y62 PolarHBondContact O-N 3.41Å; D59-T63 WeakPolarHBondContact O-CB 3.39Å; D59-T63 PolarHBondContact O-N 3.36Å; D59-T63 PolarHBondContact O-OG1 3.34Å; D59-T63 VanDerWaalsContact O-OG1 3.06Å
60	I	77.1	Confident	77	Confident	31 Å²	31	73.6 Å²	73.6	16%	0.159	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-39.1	179.5	-69.3	163.4	0	0	0	111.5	H33 T58 R64 F342	H33-I60 WeakPolarHBondContact CE1-CD1 2.88Å; T58-I60 VanDerWaalsContact C-N 3.3Å; T58-I60 PolarHBondContact O-N 3.38Å; I60-R64 WeakPolarHBondContact O-CB 3.23Å; I60-R64 PolarHBondContact O-N 3.43Å; I60-F342 HydrophobicContact CG2-CE1 4.48Å
61	Q	73.3	Confident	76.9	Confident	51 Å²	51	68.6 Å²	68.6	24%	0.238	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-41.8	175.5	-73.3	169.9	12.2	0	0	111.2	F56 T58 D59 H65	F56-Q61 HydrophobicContact CB-CB 4.03Å; F56-Q61 HydrophobicContact CD1-CB 3.91Å; F56-Q61 HydrophobicContact CG-CB 4.33Å; T58-Q61 WeakPolarHBondContact O-CB 3.42Å; T58-Q61 PolarHBondContact O-N 2.81Å; T58-Q61 VanDerWaalsContact OG1-CG 3.23Å; T58-Q61 WeakPolarHBondContact OG1-CG 2.8Å; T58-Q61 PolarHBondContact OG1-N 3.09Å; D59-Q61 VanDerWaalsContact C-N 3.29Å; D59-Q61 PolarHBondContact O-N 3.24Å; Q61-H65 WeakPolarHBondContact O-CB 3.12Å; Q61-H65 PolarHBondContact O-N 3.12Å
62	Y	78.2	Confident	77.1	Confident	59 Å²	59	70.7 Å²	70.7	23%	0.231	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-54.1	178	175.2	-116.3	0	0	0	112	F47 C49 F56 T58 D59 R64 H65 I66	F47-Y62 HydrophobicContact CB-CD1 4.33Å; F47-Y62 HydrophobicContact CB-CD2 4.2Å; F47-Y62 HydrophobicContact CB-CG 3.81Å; F47-Y62 HydrophobicContact CD1-CD1 4.36Å; F47-Y62 HydrophobicContact CG-CG 4.46Å; C49-Y62 HydrophobicContact CB-CE2 4.01Å; F56-Y62 AromaticContact CD2-CD2 3.66Å; F56-Y62 HydrophobicContact CD2-CD2 3.66Å; F56-Y62 HydrophobicContact CD2-CG 4.38Å; F56-Y62 HydrophobicContact CE2-CD2 4.07Å; T58-Y62 PolarHBondContact O-N 3.29Å; T58-Y62 VanDerWaalsContact O-N 3.11Å; D59-Y62 CarbonylContact O-C 3.51Å; D59-Y62 WeakPolarHBondContact O-CA 3.04Å; D59-Y62 WeakPolarHBondContact O-CB 3.25Å; D59-Y62 PolarHBondContact O-N 3.41Å; Y62-R64 VanDerWaalsContact C-N 3.31Å; Y62-R64 PolarHBondContact O-N 3.48Å; Y62-H65 WeakPolarHBondContact O-CA 3.49Å; Y62-H65 WeakPolarHBondContact O-CB 3.45Å; Y62-H65 PolarHBondContact O-N 2.92Å; Y62-I66 HydrophobicContact CD2-CG1 4.22Å; Y62-I66 HydrophobicContact CE1-CG1 4.17Å; Y62-I66 HydrophobicContact CE2-CD1 3.71Å; Y62-I66 HydrophobicContact CE2-CG1 3.69Å; Y62-I66 PolarHBondContact O-N 3.01Å
63	T	80.7	Confident	77.2	Confident	64 Å²	64	74.3 Å²	74.3	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-57.5	-44.2	178.4	-56.4	0	0	0	0	111.2	D59 H65 I66 Y67 F342	D59-T63 WeakPolarHBondContact O-CB 3.39Å; D59-T63 PolarHBondContact O-N 3.36Å; D59-T63 PolarHBondContact O-OG1 3.34Å; D59-T63 VanDerWaalsContact O-OG1 3.06Å; T63-H65 VanDerWaalsContact C-N 3.3Å; T63-H65 PolarHBondContact O-N 3.02Å; T63-I66 PolarHBondContact O-N 3.36Å; T63-Y67 WeakPolarHBondContact O-CB 3.46Å; T63-Y67 PolarHBondContact O-N 3.13Å; T63-F342 HydrophobicContact CG2-CZ 4.06Å
64	R	76.9	Confident	77.3	Confident	116 Å²	116	70.9 Å²	70.9	44%	0.438	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-40.1	175.4	-175	171	64.6	-174.2	-2.5	112	I60 Y62 Y68 F342	I60-R64 WeakPolarHBondContact O-CB 3.23Å; I60-R64 PolarHBondContact O-N 3.43Å; Y62-R64 VanDerWaalsContact C-N 3.31Å; Y62-R64 PolarHBondContact O-N 3.48Å; R64-Y68 HydrophobicContact CG-CD2 3.51Å; R64-Y68 HydrophobicContact CG-CE2 3.63Å; R64-Y68 VanDerWaalsContact O-CD2 3.26Å; R64-Y68 WeakPolarHBondContact O-CD2 3.09Å; R64-Y68 PolarHBondContact O-N 2.91Å; R64-F342 HydrophobicContact CB-CZ 4.18Å
65	H	78.5	Confident	77.8	Confident	18 Å²	18	71 Å²	71	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-47.8	176.5	160.6	67.6	0	0	0	111.8	C49 C52 F56 Q61 Y62 T63 Y67 Y68 T69 H70	C49-H65 WeakPolarHBondContact CB-NE2 3.36Å; C49-H65 PolarHBondContact SG-NE2 2.78Å; C49-H65 VanDerWaalsContact SG-NE2 3.36Å; C52-H65 PolarHBondContact SG-CE1 2.88Å; C52-H65 PolarHBondContact SG-NE2 3.39Å; F56-H65 HydrophobicContact CE1-CB 3.65Å; F56-H65 AromaticContact CE1-CG 3.93Å; F56-H65 HydrophobicContact CE2-CB 3.95Å; F56-H65 AromaticContact CE2-CD2 3.23Å; F56-H65 WeakPolarHBondContact CE2-CD2 3.41Å; F56-H65 AromaticContact CE2-CG 3.64Å; F56-H65 AromaticContact CE2-NE2 3.86Å; F56-H65 HydrophobicContact CZ-CB 3.34Å; F56-H65 AromaticContact CZ-CD2 3.23Å; F56-H65 WeakPolarHBondContact CZ-CD2 3.35Å; F56-H65 AromaticContact CZ-CG 3.12Å; F56-H65 AromaticContact CZ-ND1 3.73Å; F56-H65 AromaticContact CZ-NE2 3.82Å; Q61-H65 WeakPolarHBondContact O-CB 3.12Å; Q61-H65 PolarHBondContact O-N 3.12Å; Y62-H65 WeakPolarHBondContact O-CA 3.49Å; Y62-H65 WeakPolarHBondContact O-CB 3.45Å; Y62-H65 PolarHBondContact O-N 2.92Å; T63-H65 VanDerWaalsContact C-N 3.3Å; T63-H65 PolarHBondContact O-N 3.02Å; H65-Y67 VanDerWaalsContact C-N 3.31Å; H65-Y67 PolarHBondContact O-N 3.28Å; H65-Y68 PolarHBondContact O-N 2.83Å; H65-T69 PolarHBondContact ND1-OG1 2.81Å; H65-T69 WeakPolarHBondContact O-CB 3.47Å; H65-T69 PolarHBondContact O-N 2.89Å; H65-T69 PolarHBondContact O-OG1 2.79Å; H65-H70 AromaticContact CE1-CD2 3.79Å; H65-H70 AromaticContact CE1-NE2 3.3Å; H65-H70 PolarHBondContact CE1-NE2 3.1Å; H65-H70 VanDerWaalsContact CE1-NE2 3.3Å; H65-H70 AromaticContact NE2-CD2 3.56Å; H65-H70 AromaticContact NE2-NE2 3.19Å; H65-H70 PolarHBondContact NE2-NE2 2.86Å; H65-H70 VanDerWaalsContact NE2-NE2 3.19Å
66	I	79	Confident	78.3	Confident	45 Å²	45	71 Å²	71	23%	0.231	34%	0.337	C	S	.	.	I	π-helix	trans	-55.9	-49.5	175.4	-64.2	-56.6	0	0	0	110	C49 Y62 T63 Y68 H70 S71	C49-I66 HydrophobicContact CB-CD1 4.31Å; Y62-I66 HydrophobicContact CD2-CG1 4.22Å; Y62-I66 HydrophobicContact CE1-CG1 4.17Å; Y62-I66 HydrophobicContact CE2-CD1 3.71Å; Y62-I66 HydrophobicContact CE2-CG1 3.69Å; Y62-I66 PolarHBondContact O-N 3.01Å; T63-I66 PolarHBondContact O-N 3.36Å; I66-Y68 PolarHBondContact O-N 3.47Å; I66-H70 CarbonylContact O-C 3.34Å; I66-H70 WeakPolarHBondContact O-CA 3.48Å; I66-H70 WeakPolarHBondContact O-CB 3.48Å; I66-H70 PolarHBondContact O-N 2.76Å; I66-S71 PolarHBondContact O-N 2.54Å
67	Y	80.9	Confident	78.6	Confident	57 Å²	57	70 Å²	70	22%	0.224	34%	0.335	C	S	.	.	I	π-helix	trans	-58.8	-51.4	-179.2	-177.4	-106.6	0	0	0	113.3	T63 H65 S71 L87	T63-Y67 WeakPolarHBondContact O-CB 3.46Å; T63-Y67 PolarHBondContact O-N 3.13Å; H65-Y67 VanDerWaalsContact C-N 3.31Å; H65-Y67 PolarHBondContact O-N 3.28Å; Y67-S71 WeakPolarHBondContact CA-OG 3.48Å; Y67-S71 WeakPolarHBondContact O-CB 3.48Å; Y67-S71 PolarHBondContact O-OG 2.79Å; Y67-L87 WeakPolarHBondContact O-CD2 3.18Å; Y67-L87 PolarHBondContact OH-O 3.01Å; Y67-L87 VanDerWaalsContact OH-O 3.12Å
68	Y	74.2	Confident	78.9	Confident	80 Å²	80	70.4 Å²	70.4	31%	0.314	34%	0.339	S	S	.	.	I	π-helix	trans	-81.4	-23.2	-174.9	-73.8	-67.5	0	0	0	114.6	R64 H65 I66 L87	R64-Y68 HydrophobicContact CG-CD2 3.51Å; R64-Y68 HydrophobicContact CG-CE2 3.63Å; R64-Y68 VanDerWaalsContact O-CD2 3.26Å; R64-Y68 WeakPolarHBondContact O-CD2 3.09Å; R64-Y68 PolarHBondContact O-N 2.91Å; H65-Y68 PolarHBondContact O-N 2.83Å; I66-Y68 PolarHBondContact O-N 3.47Å; Y68-L87 HydrophobicContact CD1-CD1 3.72Å; Y68-L87 HydrophobicContact CE1-CD1 4.45Å
69	T	70.8	Confident	79.5	Confident	78 Å²	78	74.1 Å²	74.1	48%	0.479	36%	0.356	S	S	.	.	I	π-helix	trans	-104.4	-37.4	-171.5	-39.7	0	0	0	0	112.3	H65	H65-T69 PolarHBondContact ND1-OG1 2.81Å; H65-T69 WeakPolarHBondContact O-CB 3.47Å; H65-T69 PolarHBondContact O-N 2.89Å; H65-T69 PolarHBondContact O-OG1 2.79Å
70	H	78.6	Confident	79.6	Confident	50 Å²	50	80.4 Å²	80.4	23%	0.231	38%	0.379	C	S	.	.	I	π-helix	trans	-116.9	-20.9	-168.6	-62.7	-59.8	0	0	0	114.1	C49 I51 C52 H65 I66	C49-H70 PolarHBondContact SG-NE2 2.89Å; I51-H70 HydrophobicContact CD1-CB 3.63Å; I51-H70 VanDerWaalsContact CD1-CG 3.48Å; I51-H70 VanDerWaalsContact CG2-CE1 3.43Å; I51-H70 WeakPolarHBondContact CG2-CE1 3.17Å; I51-H70 WeakPolarHBondContact CG2-ND1 3.27Å; C52-H70 PolarHBondContact SG-NE2 3.4Å; H65-H70 AromaticContact CE1-CD2 3.79Å; H65-H70 AromaticContact CE1-NE2 3.3Å; H65-H70 PolarHBondContact CE1-NE2 3.1Å; H65-H70 VanDerWaalsContact CE1-NE2 3.3Å; H65-H70 AromaticContact NE2-CD2 3.56Å; H65-H70 AromaticContact NE2-NE2 3.19Å; H65-H70 PolarHBondContact NE2-NE2 2.86Å; H65-H70 VanDerWaalsContact NE2-NE2 3.19Å; I66-H70 CarbonylContact O-C 3.34Å; I66-H70 WeakPolarHBondContact O-CA 3.48Å; I66-H70 WeakPolarHBondContact O-CB 3.48Å; I66-H70 PolarHBondContact O-N 2.76Å
71	S	80.8	Confident	79.7	Confident	43 Å²	43	84.4 Å²	84.4	30%	0.301	41%	0.41	S	S	.	.	S	Bend	trans	-65.2	142.8	173.2	-60.5	0	0	0	0	111.2	I66 Y67 L87	I66-S71 PolarHBondContact O-N 2.54Å; Y67-S71 WeakPolarHBondContact CA-OG 3.48Å; Y67-S71 WeakPolarHBondContact O-CB 3.48Å; Y67-S71 PolarHBondContact O-OG 2.79Å; S71-L87 WeakPolarHBondContact O-CD2 3.48Å
72	Q	78.7	Confident	80	Confident	163 Å²	163	83.4 Å²	83.4	76%	0.762	41%	0.408	S	S	*	.			trans	-69.3	143.8	175.7	-64	-173.2	1.9	0	0	110.2	T74	Q72-T74 HydrophobicContact CB-CG2 4.22Å; Q72-T74 PolarHBondContact O-N 2.89Å
73	R	80	Confident	80	Confident	123 Å²	123	83.9 Å²	83.9	46%	0.464	43%	0.431	S	S	.	.			trans	-87.4	90.4	174	-75.9	166.6	174.2	70.7	3.7	108	A85 F86 L87	R73-A85 HydrophobicContact CB-CB 3.51Å; R73-A85 WeakPolarHBondContact CD-O 3.49Å; R73-A85 WeakPolarHBondContact O-CB 3.2Å; R73-F86 CarbonylContact C-O 3.56Å; R73-F86 WeakPolarHBondContact CA-O 3.24Å; R73-L87 HydrophobicContact CG-CD2 4.06Å; R73-L87 HydrophobicContact CG-CG 3.89Å
74	T	82.1	Confident	79.9	Confident	93 Å²	93	87.4 Å²	87.4	57%	0.571	44%	0.437	S	S	*	.			trans	-86.4	-18.8	-175.1	53.2	0	0	0	0	113	Q72 L76 F86	Q72-T74 HydrophobicContact CB-CG2 4.22Å; Q72-T74 PolarHBondContact O-N 2.89Å; T74-L76 PolarHBondContact O-N 2.9Å; T74-F86 PolarHBondContact N-O 3.48Å
75	F	83.7	Confident	79.9	Confident	70 Å²	70	83.4 Å²	83.4	31%	0.307	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	94.3	-179.5	-62.6	-81.4	0	0	0	110.5	A85 F86 L87 S88 N89 L92	F75-A85 CarbonylContact O-C 3.57Å; F75-A85 WeakPolarHBondContact O-CA 3.5Å; F75-F86 HydrophobicContact CB-CB 4.16Å; F75-F86 WeakPolarHBondContact CB-O 3.43Å; F75-F86 PolarHBondContact N-O 3.2Å; F75-F86 VanDerWaalsContact N-O 3.1Å; F75-F86 WeakPolarHBondContact O-CD2 3.31Å; F75-F86 PolarHBondContact O-N 2.96Å; F75-L87 WeakPolarHBondContact CE2-O 3.4Å; F75-S88 VanDerWaalsContact CD2-CA 3.48Å; F75-N89 HydrophobicContact CD1-CB 3.85Å; F75-N89 HydrophobicContact CE1-CB 3.57Å; F75-N89 HydrophobicContact CZ-CB 4.07Å; F75-L92 HydrophobicContact CB-CB 3.95Å; F75-L92 HydrophobicContact CB-CD2 3.91Å; F75-L92 HydrophobicContact CB-CG 4.49Å
76	L	86.1	Confident	79.8	Confident	112 Å²	112	84.3 Å²	84.3	59%	0.586	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.3	-177	-63	170.4	0	0	0	112.1	T74 K78 A85	T74-L76 PolarHBondContact O-N 2.9Å; L76-K78 PolarHBondContact O-N 3.24Å; L76-A85 HydrophobicContact CD2-CB 3.59Å
77	C	84.9	Confident	79.7	Confident	13 Å²	13	83 Å²	83	9%	0.088	43%	0.426	C	S	.	.			trans	-66.6	127	167.4	-173.8	0	0	0	0	109.7	E79 C82 R84 L92 H95 M96 H99	C77-E79 PolarHBondContact O-N 2.92Å; C77-C82 HydrophobicContact CB-CB 4.16Å; C77-R84 HydrophobicContact CB-CB 4.39Å; C77-R84 WeakPolarHBondContact CB-O 3.36Å; C77-R84 PolarHBondContact N-O 2.88Å; C77-L92 HydrophobicContact CB-CD1 4.34Å; C77-H95 PolarHBondContact SG-NE2 3.47Å; C77-M96 VanDerWaalsContact SG-SD 3.61Å; C77-H99 VanDerWaalsContact SG-CD2 3.55Å; C77-H99 PolarHBondContact SG-NE2 2.9Å
78	K	84	Confident	79.6	Confident	119 Å²	119	81.1 Å²	81.1	52%	0.517	42%	0.421	S	S	.	.	S	Bend	trans	-72.5	-17.2	-179.2	-63.2	-170.3	177.3	-164.8	0	113	L76 K80 L300	L76-K78 PolarHBondContact O-N 3.24Å; K78-K80 PolarHBondContact O-N 3.3Å; K78-L300 HydrophobicContact CD-CD2 4.18Å
79	E	84.2	Confident	79.9	Confident	87 Å²	87	81.1 Å²	81.1	41%	0.407	43%	0.426	S	S	.	.			trans	-72.4	116.2	178	-64.8	-61.9	159.1	0	0	111.1	C77 S81 C82 M96 H99	C77-E79 PolarHBondContact O-N 2.92Å; E79-S81 PolarHBondContact O-N 3.49Å; E79-S81 VanDerWaalsContact O-N 3.12Å; E79-C82 HydrophobicContact CB-CB 4.03Å; E79-C82 WeakPolarHBondContact O-CB 3.35Å; E79-C82 PolarHBondContact O-N 3.26Å; E79-M96 HydrophobicContact CG-CE 4.2Å; E79-H99 HydrophobicContact CG-CB 3.92Å; E79-H99 VanDerWaalsContact CG-CG 3.46Å
80	K	79.3	Confident	80.2	Confident	216 Å²	216	79.8 Å²	79.8	94%	0.939	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.8	-173.5	-69	-173.8	178.6	-179	0	113.6	K78 C82	K78-K80 PolarHBondContact O-N 3.3Å; K80-C82 VanDerWaalsContact C-N 3.34Å
81	S	79.4	Confident	80.1	Confident	116 Å²	116	80.1 Å²	80.1	81%	0.811	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.4	180	58.5	0	0	0	0	114.1	E79	E79-S81 PolarHBondContact O-N 3.49Å; E79-S81 VanDerWaalsContact O-N 3.12Å
82	C	79.6	Confident	80	Confident	30 Å²	30	79 Å²	79	20%	0.203	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-48.4	-173	-167.6	0	0	0	0	113	C77 E79 K80 R84 H95 H99	C77-C82 HydrophobicContact CB-CB 4.16Å; E79-C82 HydrophobicContact CB-CB 4.03Å; E79-C82 WeakPolarHBondContact O-CB 3.35Å; E79-C82 PolarHBondContact O-N 3.26Å; K80-C82 VanDerWaalsContact C-N 3.34Å; C82-R84 PolarHBondContact O-N 2.98Å; C82-R84 VanDerWaalsContact SG-CG 3.53Å; C82-H95 PolarHBondContact SG-CE1 3.24Å; C82-H95 PolarHBondContact SG-NE2 3.19Å; C82-H99 VanDerWaalsContact CB-CE1 3.48Å; C82-H99 WeakPolarHBondContact CB-CE1 3.38Å; C82-H99 VanDerWaalsContact SG-CE1 3.53Å; C82-H99 PolarHBondContact SG-NE2 3.49Å
83	G	77.5	Confident	80	Confident	68 Å²	68	75.9 Å²	75.9	70%	0.701	40%	0.4	S	S	*	.			trans	59.5	12.5	-178.3	0	0	0	0	0	115.4
84	R	77.6	Confident	79.7	Confident	139 Å²	139	72 Å²	72	53%	0.525	40%	0.395	S	S	.	.			trans	-81.3	143.9	-177.5	-71.3	-173.5	-178.2	-157.4	-0.5	112	C77 C82 F86	C77-R84 HydrophobicContact CB-CB 4.39Å; C77-R84 WeakPolarHBondContact CB-O 3.36Å; C77-R84 PolarHBondContact N-O 2.88Å; C82-R84 PolarHBondContact O-N 2.98Å; C82-R84 VanDerWaalsContact SG-CG 3.53Å; R84-F86 HydrophobicContact CB-CE2 3.81Å; R84-F86 HydrophobicContact CB-CZ 3.87Å
85	A	78.1	Confident	79.6	Confident	32 Å²	32	68.3 Å²	68.3	26%	0.264	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.6	178.4	0	0	0	0	0	110.8	R73 F75 L76	R73-A85 HydrophobicContact CB-CB 3.51Å; R73-A85 WeakPolarHBondContact CD-O 3.49Å; R73-A85 WeakPolarHBondContact O-CB 3.2Å; F75-A85 CarbonylContact O-C 3.57Å; F75-A85 WeakPolarHBondContact O-CA 3.5Å; L76-A85 HydrophobicContact CD2-CB 3.59Å
86	F	76.4	Confident	79.4	Confident	37 Å²	37	67.3 Å²	67.3	16%	0.162	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.5	-176.2	-56.9	-88.7	0	0	0	112	R73 T74 F75 R84 H91 L92 H95	R73-F86 CarbonylContact C-O 3.56Å; R73-F86 WeakPolarHBondContact CA-O 3.24Å; T74-F86 PolarHBondContact N-O 3.48Å; F75-F86 HydrophobicContact CB-CB 4.16Å; F75-F86 WeakPolarHBondContact CB-O 3.43Å; F75-F86 PolarHBondContact N-O 3.2Å; F75-F86 VanDerWaalsContact N-O 3.1Å; F75-F86 WeakPolarHBondContact O-CD2 3.31Å; F75-F86 PolarHBondContact O-N 2.96Å; R84-F86 HydrophobicContact CB-CE2 3.81Å; R84-F86 HydrophobicContact CB-CZ 3.87Å; F86-H91 HydrophobicContact CB-CB 4.11Å; F86-H91 HydrophobicContact CD1-CB 3.96Å; F86-H91 HydrophobicContact CG-CB 4.29Å; F86-L92 HydrophobicContact CB-CB 4.37Å; F86-L92 HydrophobicContact CD2-CB 4.03Å; F86-L92 HydrophobicContact CD2-CD1 3.83Å; F86-L92 HydrophobicContact CE2-CD1 4.08Å; F86-L92 HydrophobicContact CG-CB 4.39Å; F86-H95 HydrophobicContact CE1-CB 3.84Å; F86-H95 HydrophobicContact CE2-CB 3.76Å; F86-H95 AromaticContact CE2-CD2 3.19Å; F86-H95 WeakPolarHBondContact CE2-CD2 3.29Å; F86-H95 AromaticContact CE2-CG 3.51Å; F86-H95 AromaticContact CE2-NE2 3.92Å; F86-H95 HydrophobicContact CZ-CB 3.35Å; F86-H95 AromaticContact CZ-CD2 3.33Å; F86-H95 WeakPolarHBondContact CZ-CD2 3.45Å; F86-H95 AromaticContact CZ-CG 3.14Å; F86-H95 AromaticContact CZ-ND1 3.73Å; F86-H95 AromaticContact CZ-NE2 3.94Å
87	L	75.9	Confident	79	Confident	18 Å²	18	63 Å²	63	9%	0.094	35%	0.346	C	S	.	.	S	Bend	trans	-82.4	-20	179.2	-75	165.4	0	0	0	113.2	Y67 Y68 S71 R73 F75	Y67-L87 WeakPolarHBondContact O-CD2 3.18Å; Y67-L87 PolarHBondContact OH-O 3.01Å; Y67-L87 VanDerWaalsContact OH-O 3.12Å; Y68-L87 HydrophobicContact CD1-CD1 3.72Å; Y68-L87 HydrophobicContact CE1-CD1 4.45Å; S71-L87 WeakPolarHBondContact O-CD2 3.48Å; R73-L87 HydrophobicContact CG-CD2 4.06Å; R73-L87 HydrophobicContact CG-CG 3.89Å; F75-L87 WeakPolarHBondContact CE2-O 3.4Å
88	S	80.3	Confident	78.5	Confident	17 Å²	17	65.4 Å²	65.4	12%	0.119	36%	0.36	C	S	.	.	S	Bend	trans	-139.6	151.5	-177.6	79.3	0	0	0	0	110.8	F75 S90 H91 L92	F75-S88 VanDerWaalsContact CD2-CA 3.48Å; S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 PolarHBondContact O-N 3.42Å; S88-S90 PolarHBondContact OG-OG 3.46Å; S88-H91 PolarHBondContact O-N 3.42Å; S88-H91 PolarHBondContact OG-CE1 2.83Å; S88-H91 VanDerWaalsContact OG-CG 3.23Å; S88-H91 PolarHBondContact OG-N 3.24Å; S88-H91 PolarHBondContact OG-ND1 2.86Å; S88-L92 PolarHBondContact O-N 3.39Å
89	N	79.9	Confident	78.4	Confident	79 Å²	79	63 Å²	63	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-63.4	-35.3	175.9	-165.9	29.9	0	0	0	112	F75 H91 L92 I93	F75-N89 HydrophobicContact CD1-CB 3.85Å; F75-N89 HydrophobicContact CE1-CB 3.57Å; F75-N89 HydrophobicContact CZ-CB 4.07Å; N89-H91 VanDerWaalsContact C-N 3.33Å; N89-H91 PolarHBondContact O-N 2.8Å; N89-L92 PolarHBondContact O-N 3.39Å; N89-I93 WeakPolarHBondContact O-CG1 3.5Å; N89-I93 PolarHBondContact O-N 3.4Å
90	S	77.5	Confident	78	Confident	51 Å²	51	62 Å²	62	36%	0.357	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-39.2	178.5	57.4	0	0	0	0	111.8	S88 A94	S88-S90 VanDerWaalsContact C-N 3.28Å; S88-S90 PolarHBondContact O-N 3.42Å; S88-S90 PolarHBondContact OG-OG 3.46Å; S90-A94 WeakPolarHBondContact O-CB 3.39Å; S90-A94 PolarHBondContact O-N 3.12Å
91	H	75.8	Confident	77.6	Confident	57 Å²	57	57.1 Å²	57.1	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-68.9	-36.9	174.6	-64.8	134.9	0	0	0	112.2	F86 S88 N89 H95 D338	F86-H91 HydrophobicContact CB-CB 4.11Å; F86-H91 HydrophobicContact CD1-CB 3.96Å; F86-H91 HydrophobicContact CG-CB 4.29Å; S88-H91 PolarHBondContact O-N 3.42Å; S88-H91 PolarHBondContact OG-CE1 2.83Å; S88-H91 VanDerWaalsContact OG-CG 3.23Å; S88-H91 PolarHBondContact OG-N 3.24Å; S88-H91 PolarHBondContact OG-ND1 2.86Å; N89-H91 VanDerWaalsContact C-N 3.33Å; N89-H91 PolarHBondContact O-N 2.8Å; H91-H95 VanDerWaalsContact O-CB 3.29Å; H91-H95 WeakPolarHBondContact O-CB 3.23Å; H91-H95 PolarHBondContact O-N 3.28Å; H91-D338 IonicContact CD2-OD2 3.9Å; H91-D338 IonicContact CE1-OD2 3.96Å; H91-D338 IonicContact NE2-OD1 2.88Å; H91-D338 IonicContact NE2-OD2 3.77Å; H91-D338 PolarHBondContact NE2-OD2 3.07Å
92	L	79.3	Confident	77.3	Confident	20 Å²	20	55.8 Å²	55.8	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-50.1	172.9	173.2	61.9	0	0	0	111.1	F75 C77 F86 S88 N89 A94 H95 M96	F75-L92 HydrophobicContact CB-CB 3.95Å; F75-L92 HydrophobicContact CB-CD2 3.91Å; F75-L92 HydrophobicContact CB-CG 4.49Å; C77-L92 HydrophobicContact CB-CD1 4.34Å; F86-L92 HydrophobicContact CB-CB 4.37Å; F86-L92 HydrophobicContact CD2-CB 4.03Å; F86-L92 HydrophobicContact CD2-CD1 3.83Å; F86-L92 HydrophobicContact CE2-CD1 4.08Å; F86-L92 HydrophobicContact CG-CB 4.39Å; S88-L92 PolarHBondContact O-N 3.39Å; N89-L92 PolarHBondContact O-N 3.39Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-A94 PolarHBondContact O-N 3.48Å; L92-H95 CarbonylContact O-C 3.55Å; L92-H95 WeakPolarHBondContact O-CA 3.45Å; L92-H95 WeakPolarHBondContact O-CB 3.46Å; L92-H95 PolarHBondContact O-N 2.83Å; L92-M96 HydrophobicContact CD1-CG 4.23Å; L92-M96 HydrophobicContact CD1-SD 4.11Å; L92-M96 HydrophobicContact CG-CG 4.45Å; L92-M96 WeakPolarHBondContact O-CG 3.18Å; L92-M96 PolarHBondContact O-N 3.19Å
93	I	79.3	Confident	77.2	Confident	96 Å²	96	60.3 Å²	60.3	49%	0.492	34%	0.34	S	S	.	.	H	α-helix	trans	-58	-47.5	178.4	-68.5	166.7	0	0	0	110.5	N89 H95 M96 T97	N89-I93 WeakPolarHBondContact O-CG1 3.5Å; N89-I93 PolarHBondContact O-N 3.4Å; I93-H95 PolarHBondContact O-N 2.69Å; I93-M96 PolarHBondContact O-N 3.4Å; I93-M96 VanDerWaalsContact O-N 3.1Å; I93-T97 PolarHBondContact O-N 2.51Å
94	A	73.8	Confident	77.1	Confident	43 Å²	43	59.5 Å²	59.5	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-36.9	175.8	0	0	0	0	0	111.8	S90 L92 T97	S90-A94 WeakPolarHBondContact O-CB 3.39Å; S90-A94 PolarHBondContact O-N 3.12Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-A94 PolarHBondContact O-N 3.48Å; A94-T97 PolarHBondContact O-OG1 2.86Å
95	H	79.6	Confident	77	Confident	15 Å²	15	56.8 Å²	56.8	7%	0.069	31%	0.313	C	S	.	.	H	α-helix	trans	-69.1	-35.2	174	167.7	62.7	0	0	0	113.2	C77 C82 F86 H91 L92 I93 T97 T98 H99	C77-H95 PolarHBondContact SG-NE2 3.47Å; C82-H95 PolarHBondContact SG-CE1 3.24Å; C82-H95 PolarHBondContact SG-NE2 3.19Å; F86-H95 HydrophobicContact CE1-CB 3.84Å; F86-H95 HydrophobicContact CE2-CB 3.76Å; F86-H95 AromaticContact CE2-CD2 3.19Å; F86-H95 WeakPolarHBondContact CE2-CD2 3.29Å; F86-H95 AromaticContact CE2-CG 3.51Å; F86-H95 AromaticContact CE2-NE2 3.92Å; F86-H95 HydrophobicContact CZ-CB 3.35Å; F86-H95 AromaticContact CZ-CD2 3.33Å; F86-H95 WeakPolarHBondContact CZ-CD2 3.45Å; F86-H95 AromaticContact CZ-CG 3.14Å; F86-H95 AromaticContact CZ-ND1 3.73Å; F86-H95 AromaticContact CZ-NE2 3.94Å; H91-H95 VanDerWaalsContact O-CB 3.29Å; H91-H95 WeakPolarHBondContact O-CB 3.23Å; H91-H95 PolarHBondContact O-N 3.28Å; L92-H95 CarbonylContact O-C 3.55Å; L92-H95 WeakPolarHBondContact O-CA 3.45Å; L92-H95 WeakPolarHBondContact O-CB 3.46Å; L92-H95 PolarHBondContact O-N 2.83Å; I93-H95 PolarHBondContact O-N 2.69Å; H95-T97 PolarHBondContact O-N 3.3Å; H95-T98 PolarHBondContact CE1-OG1 3.15Å; H95-T98 PolarHBondContact ND1-OG1 3.13Å; H95-T98 VanDerWaalsContact ND1-OG1 3.16Å; H95-T98 WeakPolarHBondContact O-CA 3.35Å; H95-T98 VanDerWaalsContact O-CB 3.23Å; H95-T98 WeakPolarHBondContact O-CB 3.24Å; H95-T98 WeakPolarHBondContact O-CG2 3.37Å; H95-T98 PolarHBondContact O-N 2.77Å; H95-T98 PolarHBondContact O-OG1 3.43Å; H95-H99 AromaticContact CE1-NE2 3.39Å; H95-H99 PolarHBondContact CE1-NE2 3.49Å; H95-H99 AromaticContact NE2-CD2 3.79Å; H95-H99 AromaticContact NE2-NE2 3.17Å; H95-H99 PolarHBondContact NE2-NE2 3.02Å; H95-H99 VanDerWaalsContact NE2-NE2 3.17Å
96	M	79.3	Confident	77	Confident	49 Å²	49	58.5 Å²	58.5	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-30	178.6	-68.5	-53.2	-63.2	0	0	112.2	C77 E79 L92 I93 T98 H99 T100	C77-M96 VanDerWaalsContact SG-SD 3.61Å; E79-M96 HydrophobicContact CG-CE 4.2Å; L92-M96 HydrophobicContact CD1-CG 4.23Å; L92-M96 HydrophobicContact CD1-SD 4.11Å; L92-M96 HydrophobicContact CG-CG 4.45Å; L92-M96 WeakPolarHBondContact O-CG 3.18Å; L92-M96 PolarHBondContact O-N 3.19Å; I93-M96 PolarHBondContact O-N 3.4Å; I93-M96 VanDerWaalsContact O-N 3.1Å; M96-T98 PolarHBondContact O-N 3.38Å; M96-H99 PolarHBondContact O-N 3.18Å; M96-T100 PolarHBondContact O-N 3.4Å
97	T	77.2	Confident	76.9	Confident	21 Å²	21	57.3 Å²	57.3	13%	0.129	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-13.7	170.2	74.7	0	0	0	0	113.4	I93 A94 H95 T100 R117	I93-T97 PolarHBondContact O-N 2.51Å; A94-T97 PolarHBondContact O-OG1 2.86Å; H95-T97 PolarHBondContact O-N 3.3Å; T97-T100 WeakPolarHBondContact CA-OG1 3.35Å; T97-R117 WeakPolarHBondContact O-CD 3.42Å; T97-R117 PolarHBondContact O-NE 3.02Å; T97-R117 PolarHBondContact O-NH2 3.41Å
98	T	74.4	Confident	77.1	Confident	63 Å²	63	60.5 Å²	60.5	39%	0.387	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.4	176.6	72	0	0	0	0	114.4	H95 M96 R117	H95-T98 PolarHBondContact CE1-OG1 3.15Å; H95-T98 PolarHBondContact ND1-OG1 3.13Å; H95-T98 VanDerWaalsContact ND1-OG1 3.16Å; H95-T98 WeakPolarHBondContact O-CA 3.35Å; H95-T98 VanDerWaalsContact O-CB 3.23Å; H95-T98 WeakPolarHBondContact O-CB 3.24Å; H95-T98 WeakPolarHBondContact O-CG2 3.37Å; H95-T98 PolarHBondContact O-N 2.77Å; H95-T98 PolarHBondContact O-OG1 3.43Å; M96-T98 PolarHBondContact O-N 3.38Å; T98-R117 VanDerWaalsContact CA-CZ 3.44Å; T98-R117 PolarHBondContact O-NH2 3.24Å
99	H	81.5	Confident	76.8	Confident	69 Å²	69	62.2 Å²	62.2	32%	0.319	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-35.9	174.6	-67.3	-64.3	0	0	0	111.8	C77 E79 C82 H95 M96	C77-H99 VanDerWaalsContact SG-CD2 3.55Å; C77-H99 PolarHBondContact SG-NE2 2.9Å; E79-H99 HydrophobicContact CG-CB 3.92Å; E79-H99 VanDerWaalsContact CG-CG 3.46Å; C82-H99 VanDerWaalsContact CB-CE1 3.48Å; C82-H99 WeakPolarHBondContact CB-CE1 3.38Å; C82-H99 VanDerWaalsContact SG-CE1 3.53Å; C82-H99 PolarHBondContact SG-NE2 3.49Å; H95-H99 AromaticContact CE1-NE2 3.39Å; H95-H99 PolarHBondContact CE1-NE2 3.49Å; H95-H99 AromaticContact NE2-CD2 3.79Å; H95-H99 AromaticContact NE2-NE2 3.17Å; H95-H99 PolarHBondContact NE2-NE2 3.02Å; H95-H99 VanDerWaalsContact NE2-NE2 3.17Å; M96-H99 PolarHBondContact O-N 3.18Å
100	T	76	Confident	76.5	Confident	65 Å²	65	67.2 Å²	67.2	40%	0.399	37%	0.374	S	S	.	.	S	Bend	trans	-81.1	151.4	171.8	65	0	0	0	0	110.1	M96 T97 D102 R117	M96-T100 PolarHBondContact O-N 3.4Å; T97-T100 WeakPolarHBondContact CA-OG1 3.35Å; T100-D102 PolarHBondContact O-N 3.06Å; T100-D102 VanDerWaalsContact O-N 3.16Å; T100-D102 WeakPolarHBondContact OG1-CB 3.46Å; T100-D102 PolarHBondContact OG1-N 3.07Å; T100-R117 PolarHBondContact O-NH2 3.22Å
101	S	71.3	Confident	76.4	Confident	115 Å²	115	69 Å²	69	80%	0.804	40%	0.4	S	S	*	.			trans	-73.5	10	165.1	-65.4	0	0	0	0	111.9	R103	S101-R103 PolarHBondContact O-N 2.91Å
102	D	74.1	Confident	76.3	Confident	87 Å²	87	67.6 Å²	67.6	47%	0.465	40%	0.396	S	S	.	.			trans	-67.5	128.8	-175.3	-167.1	3.3	0	0	0	110.7	T100 P104 R117	T100-D102 PolarHBondContact O-N 3.06Å; T100-D102 VanDerWaalsContact O-N 3.16Å; T100-D102 WeakPolarHBondContact OG1-CB 3.46Å; T100-D102 PolarHBondContact OG1-N 3.07Å; D102-P104 WeakPolarHBondContact OD1-CD 3.39Å; D102-R117 WeakPolarHBondContact O-CG 3.4Å
103	R	75.9	Confident	76.4	Confident	125 Å²	125	72.2 Å²	72.2	47%	0.472	43%	0.43	S	S	.	.			trans	-138.4	72.8	-179.5	-63.3	178.7	-178.4	-166.4	4.1	107.3	S101 Y105 Q115 A116 R117	S101-R103 PolarHBondContact O-N 2.91Å; R103-Y105 PolarHBondContact O-N 3.1Å; R103-Q115 HydrophobicContact CB-CB 3.51Å; R103-Q115 HydrophobicContact CG-CB 4.4Å; R103-A116 CarbonylContact C-O 3.42Å; R103-A116 VanDerWaalsContact C-O 3.29Å; R103-A116 WeakPolarHBondContact CA-O 3.19Å; R103-R117 HydrophobicContact CG-CG 4.24Å
104	P	75.8	Confident	76.2	Confident	52 Å²	52	71.5 Å²	71.5	34%	0.338	42%	0.422	S	S	.	.			trans	-68.5	-12.5	-167.2	25.1	-32.6	0	0	0	113.3	D102	D102-P104 WeakPolarHBondContact OD1-CD 3.39Å
105	Y	74.8	Confident	76.4	Confident	81 Å²	81	74.1 Å²	74.1	32%	0.318	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	92.9	-177.9	-58.7	-82.8	0	0	0	110.9	R103 Q115 A116 R117 T118 A119	R103-Y105 PolarHBondContact O-N 3.1Å; Y105-Q115 CarbonylContact O-C 3.29Å; Y105-Q115 WeakPolarHBondContact O-CA 3.46Å; Y105-A116 WeakPolarHBondContact CB-O 3.37Å; Y105-A116 WeakPolarHBondContact CD2-O 3.38Å; Y105-A116 PolarHBondContact N-O 3.21Å; Y105-A116 VanDerWaalsContact N-O 3.17Å; Y105-A116 PolarHBondContact O-N 3.49Å; Y105-R117 WeakPolarHBondContact CE2-O 3.5Å; Y105-T118 VanDerWaalsContact CD2-C 3.47Å; Y105-A119 HydrophobicContact CD1-CB 4.07Å; Y105-A119 HydrophobicContact CE1-CB 3.69Å
106	S	78.5	Confident	76.1	Confident	68 Å²	68	73.5 Å²	73.5	48%	0.476	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	150.1	176.1	56.7	0	0	0	0	112.9	L122	S106-L122 VanDerWaalsContact O-CD2 3.28Å; S106-L122 WeakPolarHBondContact O-CD2 3.45Å
107	C	75.2	Confident	75.8	Confident	12 Å²	12	75.4 Å²	75.4	8%	0.081	43%	0.429	C	S	.	.			trans	-75.3	128.9	168	-162.4	0	0	0	0	110.2	V109 C112 Y114 L122 H125 H129	C107-V109 VanDerWaalsContact C-N 3.27Å; C107-V109 PolarHBondContact O-N 3.29Å; C107-C112 HydrophobicContact CB-CB 4.2Å; C107-Y114 WeakPolarHBondContact CB-O 3.37Å; C107-Y114 PolarHBondContact N-O 3.45Å; C107-L122 HydrophobicContact CB-CD1 4.18Å; C107-H125 VanDerWaalsContact SG-CD2 3.57Å; C107-H125 PolarHBondContact SG-NE2 3.08Å; C107-H129 VanDerWaalsContact SG-CD2 3.52Å; C107-H129 PolarHBondContact SG-NE2 3.31Å
108	S	80.4	Confident	75.5	Confident	86 Å²	86	77 Å²	77	60%	0.601	44%	0.439	S	S	*	.			trans	-85.6	2.3	178.6	60.2	0	0	0	0	113.3
109	V	73.7	Confident	75.4	Confident	53 Å²	53	75.1 Å²	75.1	32%	0.321	43%	0.43	S	S	.	.	S	Bend	trans	-80	126.2	179.7	178.9	0	0	0	0	109.1	C107 G111 C112 H129	C107-V109 VanDerWaalsContact C-N 3.27Å; C107-V109 PolarHBondContact O-N 3.29Å; V109-G111 PolarHBondContact O-N 3.44Å; V109-C112 HydrophobicContact CB-CB 4.16Å; V109-C112 WeakPolarHBondContact O-CB 3.42Å; V109-C112 PolarHBondContact O-N 3.16Å; V109-H129 HydrophobicContact CG2-CB 3.99Å; V109-H129 VanDerWaalsContact CG2-CD2 3.46Å; V109-H129 WeakPolarHBondContact CG2-CD2 3.4Å
110	Q	74	Confident	74.6	Confident	184 Å²	184	74.3 Å²	74.3	86%	0.86	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	132	-178.3	-64.7	-64.1	-33.7	0	0	111	C112	Q110-C112 VanDerWaalsContact C-N 3.26Å; Q110-C112 PolarHBondContact O-N 3.29Å
111	G	75	Confident	74.3	Confident	87 Å²	87	78.2 Å²	78.2	90%	0.897	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-6.9	-174.8	0	0	0	0	0	115.4	V109	V109-G111 PolarHBondContact O-N 3.44Å
112	C	73.5	Confident	74.3	Confident	29 Å²	29	73.5 Å²	73.5	20%	0.196	41%	0.413	C	S	.	.			trans	-94.6	108.2	176.7	-171.7	0	0	0	0	111.3	C107 V109 Q110 Y114 H125 H129	C107-C112 HydrophobicContact CB-CB 4.2Å; V109-C112 HydrophobicContact CB-CB 4.16Å; V109-C112 WeakPolarHBondContact O-CB 3.42Å; V109-C112 PolarHBondContact O-N 3.16Å; Q110-C112 VanDerWaalsContact C-N 3.26Å; Q110-C112 PolarHBondContact O-N 3.29Å; C112-Y114 PolarHBondContact O-N 2.92Å; C112-Y114 VanDerWaalsContact SG-CB 3.57Å; C112-H125 PolarHBondContact SG-CE1 2.85Å; C112-H125 PolarHBondContact SG-NE2 3.4Å; C112-H129 PolarHBondContact SG-NE2 2.94Å
113	S	80.3	Confident	74.1	Confident	116 Å²	116	72.2 Å²	72.2	81%	0.811	41%	0.414	S	S	*	.			trans	-83.5	11.3	176	58.8	0	0	0	0	114.1	Q115	S113-Q115 PolarHBondContact O-N 3.3Å
114	Y	75.5	Confident	73.6	Confident	82 Å²	82	68.6 Å²	68.6	32%	0.322	40%	0.403	S	S	.	.			trans	-66.8	130	-177.4	-179	-94.6	0	0	0	111.8	C107 C112 A116 L122 H125	C107-Y114 WeakPolarHBondContact CB-O 3.37Å; C107-Y114 PolarHBondContact N-O 3.45Å; C112-Y114 PolarHBondContact O-N 2.92Å; C112-Y114 VanDerWaalsContact SG-CB 3.57Å; Y114-A116 HydrophobicContact CE1-CB 3.68Å; Y114-L122 HydrophobicContact CD1-CD1 4.12Å; Y114-L122 HydrophobicContact CE1-CD1 4.29Å; Y114-H125 WeakPolarHBondContact CB-CE1 3.35Å; Y114-H125 WeakPolarHBondContact CB-NE2 3.41Å; Y114-H125 HydrophobicContact CD1-CB 3.68Å; Y114-H125 AromaticContact CD1-CD2 3.35Å; Y114-H125 WeakPolarHBondContact CD1-CD2 3.21Å; Y114-H125 AromaticContact CD1-CE1 3.66Å; Y114-H125 AromaticContact CD1-CG 3.16Å; Y114-H125 AromaticContact CD1-ND1 3.37Å; Y114-H125 WeakPolarHBondContact CD1-ND1 3.37Å; Y114-H125 AromaticContact CD1-NE2 3.68Å; Y114-H125 AromaticContact CD2-CE1 3.94Å; Y114-H125 AromaticContact CD2-ND1 3.59Å; Y114-H125 HydrophobicContact CE1-CB 3.28Å; Y114-H125 AromaticContact CE1-CD2 3.93Å; Y114-H125 AromaticContact CE1-CG 3.36Å; Y114-H125 AromaticContact CE1-ND1 3.77Å; Y114-H125 AromaticContact CE2-ND1 3.99Å; Y114-H125 HydrophobicContact CG-CB 4.42Å; Y114-H125 AromaticContact CG-CD2 3.87Å; Y114-H125 AromaticContact CG-CE1 3.32Å; Y114-H125 AromaticContact CG-CG 3.61Å; Y114-H125 AromaticContact CG-ND1 3.25Å; Y114-H125 VanDerWaalsContact CG-ND1 3.25Å; Y114-H125 AromaticContact CG-NE2 3.72Å; Y114-H125 AromaticContact CZ-CG 3.99Å
115	Q	78.4	Confident	73.3	Confident	97 Å²	97	67 Å²	67	45%	0.453	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.7	172.9	-59.4	175.6	-44.4	0	0	109.8	R103 Y105 S113	R103-Q115 HydrophobicContact CB-CB 3.51Å; R103-Q115 HydrophobicContact CG-CB 4.4Å; Y105-Q115 CarbonylContact O-C 3.29Å; Y105-Q115 WeakPolarHBondContact O-CA 3.46Å; S113-Q115 PolarHBondContact O-N 3.3Å
116	A	72.5	Confident	72.9	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.4	-176.5	0	0	0	0	0	111.4	R103 Y105 Y114 R121 L122	R103-A116 CarbonylContact C-O 3.42Å; R103-A116 VanDerWaalsContact C-O 3.29Å; R103-A116 WeakPolarHBondContact CA-O 3.19Å; Y105-A116 WeakPolarHBondContact CB-O 3.37Å; Y105-A116 WeakPolarHBondContact CD2-O 3.38Å; Y105-A116 PolarHBondContact N-O 3.21Å; Y105-A116 VanDerWaalsContact N-O 3.17Å; Y105-A116 PolarHBondContact O-N 3.49Å; Y114-A116 HydrophobicContact CE1-CB 3.68Å; A116-R121 HydrophobicContact CB-CB 3.88Å; A116-L122 HydrophobicContact CB-CB 3.97Å
117	R	73.1	Confident	72.3	Confident	88 Å²	88	65.4 Å²	65.4	33%	0.332	38%	0.378	S	S	.	.	S	Bend	trans	-76.6	-23.9	173.1	-73.9	176.7	174.5	174.2	-13.4	113.5	T97 T98 T100 D102 R103 Y105	T97-R117 WeakPolarHBondContact O-CD 3.42Å; T97-R117 PolarHBondContact O-NE 3.02Å; T97-R117 PolarHBondContact O-NH2 3.41Å; T98-R117 VanDerWaalsContact CA-CZ 3.44Å; T98-R117 PolarHBondContact O-NH2 3.24Å; T100-R117 PolarHBondContact O-NH2 3.22Å; D102-R117 WeakPolarHBondContact O-CG 3.4Å; R103-R117 HydrophobicContact CG-CG 4.24Å; Y105-R117 WeakPolarHBondContact CE2-O 3.5Å
118	T	70.5	Confident	71.8	Confident	56 Å²	56	69 Å²	69	34%	0.344	40%	0.395	S	S	.	.	S	Bend	trans	-135.3	148.7	-178.7	65.7	0	0	0	0	111.9	Y105 G120 R121 L122	Y105-T118 VanDerWaalsContact CD2-C 3.47Å; T118-G120 VanDerWaalsContact C-N 3.26Å; T118-G120 PolarHBondContact O-N 3.31Å; T118-R121 PolarHBondContact O-N 2.98Å; T118-R121 VanDerWaalsContact O-N 3.1Å; T118-R121 VanDerWaalsContact OG1-CG 3.28Å; T118-R121 WeakPolarHBondContact OG1-CG 3.4Å; T118-R121 PolarHBondContact OG1-N 2.87Å; T118-L122 PolarHBondContact O-N 2.83Å; T118-L122 VanDerWaalsContact O-N 3.11Å
119	A	72.4	Confident	71.2	Confident	23 Å²	23	68.2 Å²	68.2	19%	0.19	38%	0.382	C	S	.	.	H	α-helix	trans	-56	-39.6	176.4	0	0	0	0	0	112.4	Y105 R121 L122 A123 D335	Y105-A119 HydrophobicContact CD1-CB 4.07Å; Y105-A119 HydrophobicContact CE1-CB 3.69Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 3.48Å; A119-L122 PolarHBondContact O-N 3.22Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.04Å; A119-D335 VanDerWaalsContact CB-OD1 3.25Å; A119-D335 WeakPolarHBondContact CB-OD1 3.33Å
120	G	66	Low	70.8	Confident	51 Å²	51	68.6 Å²	68.6	53%	0.526	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-36.3	177.6	0	0	0	0	0	113.6	T118 Q124	T118-G120 VanDerWaalsContact C-N 3.26Å; T118-G120 PolarHBondContact O-N 3.31Å; G120-Q124 WeakPolarHBondContact O-CB 3.42Å; G120-Q124 PolarHBondContact O-N 2.83Å
121	R	68.3	Low	69.7	Low	148 Å²	148	68.8 Å²	68.8	56%	0.558	40%	0.397	S	S	*	.	H	α-helix	trans	-71.1	-40.4	174.6	-71.5	-68.4	-168.6	172	6.2	111.6	A116 T118 A119 Q124 H125	A116-R121 HydrophobicContact CB-CB 3.88Å; T118-R121 PolarHBondContact O-N 2.98Å; T118-R121 VanDerWaalsContact O-N 3.1Å; T118-R121 VanDerWaalsContact OG1-CG 3.28Å; T118-R121 WeakPolarHBondContact OG1-CG 3.4Å; T118-R121 PolarHBondContact OG1-N 2.87Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 3.48Å; R121-Q124 PolarHBondContact O-N 3.08Å; R121-H125 WeakPolarHBondContact O-CB 3.25Å; R121-H125 PolarHBondContact O-N 3.28Å
122	L	71.7	Confident	68.7	Low	16 Å²	16	65.8 Å²	65.8	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-44.2	173.1	179.6	64.1	0	0	0	111.4	S106 C107 Y114 A116 T118 A119 Q124 H125 K126	S106-L122 VanDerWaalsContact O-CD2 3.28Å; S106-L122 WeakPolarHBondContact O-CD2 3.45Å; C107-L122 HydrophobicContact CB-CD1 4.18Å; Y114-L122 HydrophobicContact CD1-CD1 4.12Å; Y114-L122 HydrophobicContact CE1-CD1 4.29Å; A116-L122 HydrophobicContact CB-CB 3.97Å; T118-L122 PolarHBondContact O-N 2.83Å; T118-L122 VanDerWaalsContact O-N 3.11Å; A119-L122 PolarHBondContact O-N 3.22Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 3.31Å; L122-H125 CarbonylContact O-C 3.53Å; L122-H125 WeakPolarHBondContact O-CA 3.38Å; L122-H125 WeakPolarHBondContact O-CB 3.48Å; L122-H125 PolarHBondContact O-N 3.46Å; L122-H125 VanDerWaalsContact O-N 3.08Å; L122-K126 HydrophobicContact CD1-CG 4.41Å; L122-K126 HydrophobicContact CG-CD 4.49Å; L122-K126 HydrophobicContact CG-CG 4.44Å; L122-K126 WeakPolarHBondContact O-CG 3.4Å; L122-K126 PolarHBondContact O-N 2.97Å
123	A	70.5	Confident	67.8	Low	59 Å²	59	70.2 Å²	70.2	49%	0.488	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-42.9	176.9	0	0	0	0	0	111.2	A119 K126 I127	A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.04Å; A123-K126 PolarHBondContact O-N 2.77Å; A123-I127 WeakPolarHBondContact O-CG1 3.22Å
124	Q	64.3	Low	67	Low	50 Å²	50	70.3 Å²	70.3	23%	0.234	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-40.8	172	173.5	175.6	53.5	0	0	112.4	G120 R121 L122 I127	G120-Q124 WeakPolarHBondContact O-CB 3.42Å; G120-Q124 PolarHBondContact O-N 2.83Å; R121-Q124 PolarHBondContact O-N 3.08Å; L122-Q124 VanDerWaalsContact C-N 3.31Å; L122-Q124 PolarHBondContact O-N 3.31Å; Q124-I127 VanDerWaalsContact O-CB 3.23Å; Q124-I127 WeakPolarHBondContact O-CB 3.49Å; Q124-I127 WeakPolarHBondContact O-CG1 3.35Å; Q124-I127 PolarHBondContact O-N 3.21Å
125	H	70.7	Confident	66.4	Low	18 Å²	18	67.8 Å²	67.8	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-65.1	-44.3	176.4	164.2	86.7	0	0	0	111.5	C107 C112 Y114 R121 L122 I127 I128 H129	C107-H125 VanDerWaalsContact SG-CD2 3.57Å; C107-H125 PolarHBondContact SG-NE2 3.08Å; C112-H125 PolarHBondContact SG-CE1 2.85Å; C112-H125 PolarHBondContact SG-NE2 3.4Å; Y114-H125 WeakPolarHBondContact CB-CE1 3.35Å; Y114-H125 WeakPolarHBondContact CB-NE2 3.41Å; Y114-H125 HydrophobicContact CD1-CB 3.68Å; Y114-H125 AromaticContact CD1-CD2 3.35Å; Y114-H125 WeakPolarHBondContact CD1-CD2 3.21Å; Y114-H125 AromaticContact CD1-CE1 3.66Å; Y114-H125 AromaticContact CD1-CG 3.16Å; Y114-H125 AromaticContact CD1-ND1 3.37Å; Y114-H125 WeakPolarHBondContact CD1-ND1 3.37Å; Y114-H125 AromaticContact CD1-NE2 3.68Å; Y114-H125 AromaticContact CD2-CE1 3.94Å; Y114-H125 AromaticContact CD2-ND1 3.59Å; Y114-H125 HydrophobicContact CE1-CB 3.28Å; Y114-H125 AromaticContact CE1-CD2 3.93Å; Y114-H125 AromaticContact CE1-CG 3.36Å; Y114-H125 AromaticContact CE1-ND1 3.77Å; Y114-H125 AromaticContact CE2-ND1 3.99Å; Y114-H125 HydrophobicContact CG-CB 4.42Å; Y114-H125 AromaticContact CG-CD2 3.87Å; Y114-H125 AromaticContact CG-CE1 3.32Å; Y114-H125 AromaticContact CG-CG 3.61Å; Y114-H125 AromaticContact CG-ND1 3.25Å; Y114-H125 VanDerWaalsContact CG-ND1 3.25Å; Y114-H125 AromaticContact CG-NE2 3.72Å; Y114-H125 AromaticContact CZ-CG 3.99Å; R121-H125 WeakPolarHBondContact O-CB 3.25Å; R121-H125 PolarHBondContact O-N 3.28Å; L122-H125 CarbonylContact O-C 3.53Å; L122-H125 WeakPolarHBondContact O-CA 3.38Å; L122-H125 WeakPolarHBondContact O-CB 3.48Å; L122-H125 PolarHBondContact O-N 3.46Å; L122-H125 VanDerWaalsContact O-N 3.08Å; H125-I127 PolarHBondContact O-N 3.33Å; H125-I128 WeakPolarHBondContact CE1-CD1 3.4Å; H125-I128 WeakPolarHBondContact ND1-CD1 3.48Å; H125-I128 WeakPolarHBondContact O-CB 3.43Å; H125-I128 WeakPolarHBondContact O-CG1 3.41Å; H125-I128 WeakPolarHBondContact O-CG2 3.35Å; H125-I128 PolarHBondContact O-N 2.96Å; H125-H129 AromaticContact CD2-NE2 3.89Å; H125-H129 AromaticContact CE1-NE2 3.68Å; H125-H129 AromaticContact NE2-CD2 3.73Å; H125-H129 AromaticContact NE2-NE2 3.01Å; H125-H129 PolarHBondContact NE2-NE2 2.82Å
126	K	66	Low	65.8	Low	90 Å²	90	64.6 Å²	64.6	39%	0.391	34%	0.34	S	S	.	.	H	α-helix	trans	-55.5	-24.2	-179.8	-77	-176.5	174.9	-172.3	0	113.3	L122 A123 I128 H129 G130	L122-K126 HydrophobicContact CD1-CG 4.41Å; L122-K126 HydrophobicContact CG-CD 4.49Å; L122-K126 HydrophobicContact CG-CG 4.44Å; L122-K126 WeakPolarHBondContact O-CG 3.4Å; L122-K126 PolarHBondContact O-N 2.97Å; A123-K126 PolarHBondContact O-N 2.77Å; K126-I128 PolarHBondContact O-N 3.42Å; K126-H129 PolarHBondContact O-N 2.78Å; K126-H129 VanDerWaalsContact O-N 3.12Å; K126-G130 PolarHBondContact O-N 3.47Å
127	I	65.5	Low	65.5	Low	26 Å²	26	64.9 Å²	64.9	13%	0.133	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.3	173.4	-60.7	177.6	0	0	0	112	A123 Q124 H125 H129 G130 G132 T145	A123-I127 WeakPolarHBondContact O-CG1 3.22Å; Q124-I127 VanDerWaalsContact O-CB 3.23Å; Q124-I127 WeakPolarHBondContact O-CB 3.49Å; Q124-I127 WeakPolarHBondContact O-CG1 3.35Å; Q124-I127 PolarHBondContact O-N 3.21Å; H125-I127 PolarHBondContact O-N 3.33Å; I127-H129 VanDerWaalsContact C-N 3.25Å; I127-H129 PolarHBondContact O-N 3.49Å; I127-G130 PolarHBondContact O-N 3.19Å; I127-G132 VanDerWaalsContact CG2-C 3.46Å; I127-G132 WeakPolarHBondContact CG2-O 3.49Å; I127-G132 PolarHBondContact O-N 2.89Å; I127-T145 HydrophobicContact CG2-CG2 4.39Å
128	I	64.4	Low	65.3	Low	87 Å²	87	64.8 Å²	64.8	45%	0.446	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.3	-178.9	80.5	-173.6	0	0	0	112.5	H125 K126 T145	H125-I128 WeakPolarHBondContact CE1-CD1 3.4Å; H125-I128 WeakPolarHBondContact ND1-CD1 3.48Å; H125-I128 WeakPolarHBondContact O-CB 3.43Å; H125-I128 WeakPolarHBondContact O-CG1 3.41Å; H125-I128 WeakPolarHBondContact O-CG2 3.35Å; H125-I128 PolarHBondContact O-N 2.96Å; K126-I128 PolarHBondContact O-N 3.42Å; I128-T145 HydrophobicContact CG2-CG2 4.07Å
129	H	69.2	Low	65.1	Low	70 Å²	70	66.3 Å²	66.3	32%	0.324	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-32.8	-179.7	-63	-58.3	0	0	0	112.3	C107 V109 C112 H125 K126 I127 Q131	C107-H129 VanDerWaalsContact SG-CD2 3.52Å; C107-H129 PolarHBondContact SG-NE2 3.31Å; V109-H129 HydrophobicContact CG2-CB 3.99Å; V109-H129 VanDerWaalsContact CG2-CD2 3.46Å; V109-H129 WeakPolarHBondContact CG2-CD2 3.4Å; C112-H129 PolarHBondContact SG-NE2 2.94Å; H125-H129 AromaticContact CD2-NE2 3.89Å; H125-H129 AromaticContact CE1-NE2 3.68Å; H125-H129 AromaticContact NE2-CD2 3.73Å; H125-H129 AromaticContact NE2-NE2 3.01Å; H125-H129 PolarHBondContact NE2-NE2 2.82Å; K126-H129 PolarHBondContact O-N 2.78Å; K126-H129 VanDerWaalsContact O-N 3.12Å; I127-H129 VanDerWaalsContact C-N 3.25Å; I127-H129 PolarHBondContact O-N 3.49Å; H129-Q131 VanDerWaalsContact C-N 3.28Å; H129-Q131 PolarHBondContact O-N 3.21Å
130	G	63.9	Low	65.1	Low	61 Å²	61	67.6 Å²	67.6	63%	0.629	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	17.3	-175.7	0	0	0	0	0	115.6	K126 I127 G132	K126-G130 PolarHBondContact O-N 3.47Å; I127-G130 PolarHBondContact O-N 3.19Å; G130-G132 PolarHBondContact O-N 3.27Å; G130-G132 VanDerWaalsContact O-N 3.09Å
131	Q	51.8	Low	65.2	Low	188 Å²	188	74.2 Å²	74.2	88%	0.879	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	14.5	-170.7	-68.5	-89	6.4	0	0	114.1	H129 R133	H129-Q131 VanDerWaalsContact C-N 3.28Å; H129-Q131 PolarHBondContact O-N 3.21Å; Q131-R133 PolarHBondContact O-N 3.4Å
132	G	54.5	Low	65.3	Low	23 Å²	23	71.3 Å²	71.3	24%	0.237	36%	0.362	C	S	.	.			trans	-97	41	-162.2	0	0	0	0	0	115.1	I127 G130 R134	I127-G132 VanDerWaalsContact CG2-C 3.46Å; I127-G132 WeakPolarHBondContact CG2-O 3.49Å; I127-G132 PolarHBondContact O-N 2.89Å; G130-G132 PolarHBondContact O-N 3.27Å; G130-G132 VanDerWaalsContact O-N 3.09Å; G132-R134 WeakPolarHBondContact O-CG 3.47Å; G132-R134 PolarHBondContact O-N 3.33Å
133	R	54.8	Low	65	Low	123 Å²	123	71.7 Å²	71.7	46%	0.464	37%	0.366	S	S	.	.			trans	-61.5	102.7	173.7	-54.9	-143.9	-158	132	-14.9	108.2	Q131 F135 S143	Q131-R133 PolarHBondContact O-N 3.4Å; R133-F135 PolarHBondContact O-N 2.72Å; R133-F135 VanDerWaalsContact O-N 3.15Å; R133-S143 VanDerWaalsContact CB-CB 3.44Å; R133-S143 WeakPolarHBondContact CB-OG 3.22Å; R133-S143 VanDerWaalsContact CD-C 3.41Å; R133-S143 WeakPolarHBondContact CD-O 3.43Å; R133-S143 WeakPolarHBondContact CD-OG 3.28Å; R133-S143 PolarHBondContact NH1-O 3.49Å; R133-S143 PolarHBondContact NH1-OG 3.18Å
134	R	62.1	Low	64.9	Low	117 Å²	117	69 Å²	69	44%	0.442	34%	0.344	S	S	.	.	S	Bend	trans	-69.6	-13.6	-166.8	-66.1	-173	179.3	171.6	-0.2	114	G132 A144 Q274	G132-R134 WeakPolarHBondContact O-CG 3.47Å; G132-R134 PolarHBondContact O-N 3.33Å; R134-A144 PolarHBondContact N-O 3.21Å; R134-Q274 WeakPolarHBondContact O-CB 3.48Å; R134-Q274 WeakPolarHBondContact O-CG 3.22Å; R134-Q274 PolarHBondContact O-N 3.34Å
135	F	63.9	Low	65.1	Low	29 Å²	29	68.2 Å²	68.2	13%	0.127	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	107.8	-173.2	-56.2	-78.6	0	0	0	107	R133 S143 A144 T146 L150 R273	R133-F135 PolarHBondContact O-N 2.72Å; R133-F135 VanDerWaalsContact O-N 3.15Å; F135-S143 CarbonylContact O-C 3.5Å; F135-S143 VanDerWaalsContact O-CA 3.24Å; F135-S143 WeakPolarHBondContact O-CA 3.45Å; F135-S143 WeakPolarHBondContact O-CB 3.24Å; F135-A144 PolarHBondContact N-O 2.65Å; F135-A144 PolarHBondContact O-N 3.38Å; F135-T146 VanDerWaalsContact CD2-C 3.41Å; F135-L150 HydrophobicContact CB-CB 4.12Å; F135-L150 HydrophobicContact CB-CD2 3.45Å; F135-L150 VanDerWaalsContact CB-CD2 3.45Å; F135-L150 HydrophobicContact CB-CG 4.43Å; F135-R273 HydrophobicContact CE1-CB 4.17Å; F135-R273 HydrophobicContact CE1-CG 4.29Å
136	S	65.5	Low	65	Low	30 Å²	30	68.6 Å²	68.6	21%	0.21	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.7	177.2	48.8	0	0	0	0	110.3	L150 Q274	S136-L150 VanDerWaalsContact O-CD2 3.29Å; S136-L150 WeakPolarHBondContact O-CD2 3.45Å; S136-Q274 PolarHBondContact OG-NE2 2.73Å
137	C	66.3	Low	65.2	Low	9 Å²	9	67 Å²	67	6%	0.061	35%	0.347	C	S	.	.			trans	-76.6	139.8	165	-171.8	0	0	0	0	109.3	Y139 Y142 L150 H153 H157	C137-Y139 VanDerWaalsContact C-N 3.35Å; C137-Y142 WeakPolarHBondContact CB-O 3.48Å; C137-Y142 PolarHBondContact N-O 2.92Å; C137-L150 HydrophobicContact CB-CD1 3.88Å; C137-H153 PolarHBondContact SG-NE2 3.36Å; C137-H153 VanDerWaalsContact SG-NE2 3.39Å; C137-H157 PolarHBondContact SG-CD2 3.41Å; C137-H157 PolarHBondContact SG-NE2 3.38Å
138	D	68.6	Low	65.6	Low	86 Å²	86	69.1 Å²	69.1	46%	0.46	36%	0.364	S	S	.	.	S	Bend	trans	-81.9	-16.5	179.1	-60.8	-29.9	0	0	0	112.7	N269	D138-N269 VanDerWaalsContact OD2-O 3.09Å
139	Y	67.3	Low	66.3	Low	89 Å²	89	67.5 Å²	67.5	35%	0.349	36%	0.356	S	S	.	.	S	Bend	trans	-102.4	-10	-177.1	-51.5	-79.9	0	0	0	114	C137 H157 P266 P267 E268	C137-Y139 VanDerWaalsContact C-N 3.35Å; Y139-H157 HydrophobicContact CD2-CB 4.36Å; Y139-P266 HydrophobicContact CD2-CB 4.18Å; Y139-P266 HydrophobicContact CE1-CB 4.45Å; Y139-P266 HydrophobicContact CE2-CB 3.27Å; Y139-P266 HydrophobicContact CE2-CG 4.15Å; Y139-P266 VanDerWaalsContact CZ-CB 3.43Å; Y139-P266 WeakPolarHBondContact OH-CB 3.46Å; Y139-P267 HydrophobicContact CE1-CG 4.49Å; Y139-P267 WeakPolarHBondContact OH-CD 3.43Å; Y139-P267 VanDerWaalsContact OH-N 3.08Å; Y139-P267 PolarHBondContact OH-O 2.77Å; Y139-E268 PolarHBondContact OH-O 3.2Å
140	C	70.9	Confident	66.5	Low	49 Å²	49	64.2 Å²	64.2	33%	0.331	34%	0.34	S	S	.	.	S	Bend	trans	-156	169.7	176.1	71.7	0	0	0	0	111.7	Y142 H153 H157	C140-Y142 PolarHBondContact O-N 3.15Å; C140-Y142 WeakPolarHBondContact SG-CB 3.22Å; C140-Y142 PolarHBondContact SG-N 2.64Å; C140-H153 PolarHBondContact SG-CE1 3.25Å; C140-H153 PolarHBondContact SG-NE2 3.21Å; C140-H157 PolarHBondContact SG-NE2 2.87Å
141	E	69.2	Low	67.3	Low	191 Å²	191	69.3 Å²	69.3	89%	0.893	34%	0.341	S	S	*	.	S	Bend	trans	-70.5	2.2	179.5	-57.3	-175.2	168	0	0	113.9	S143	E141-S143 PolarHBondContact O-N 3.36Å
142	Y	70.9	Confident	68.7	Low	86 Å²	86	64.9 Å²	64.9	34%	0.337	32%	0.316	S	S	.	.			trans	-65.6	136.5	175.5	-174.7	-96.7	0	0	0	110.5	C137 C140 A144 L150 H153	C137-Y142 WeakPolarHBondContact CB-O 3.48Å; C137-Y142 PolarHBondContact N-O 2.92Å; C140-Y142 PolarHBondContact O-N 3.15Å; C140-Y142 WeakPolarHBondContact SG-CB 3.22Å; C140-Y142 PolarHBondContact SG-N 2.64Å; Y142-A144 HydrophobicContact CE1-CB 4.01Å; Y142-L150 HydrophobicContact CD1-CD1 4.19Å; Y142-L150 HydrophobicContact CE1-CD1 4.48Å; Y142-H153 WeakPolarHBondContact CB-CE1 3.28Å; Y142-H153 WeakPolarHBondContact CB-NE2 3.38Å; Y142-H153 HydrophobicContact CD1-CB 3.76Å; Y142-H153 AromaticContact CD1-CD2 3.39Å; Y142-H153 WeakPolarHBondContact CD1-CD2 3.31Å; Y142-H153 AromaticContact CD1-CE1 3.65Å; Y142-H153 AromaticContact CD1-CG 3.18Å; Y142-H153 AromaticContact CD1-ND1 3.36Å; Y142-H153 WeakPolarHBondContact CD1-ND1 3.32Å; Y142-H153 AromaticContact CD1-NE2 3.65Å; Y142-H153 AromaticContact CD2-ND1 3.99Å; Y142-H153 HydrophobicContact CE1-CB 3.48Å; Y142-H153 VanDerWaalsContact CE1-CB 3.48Å; Y142-H153 AromaticContact CE1-CG 3.47Å; Y142-H153 VanDerWaalsContact CE1-CG 3.47Å; Y142-H153 AromaticContact CE1-ND1 3.81Å; Y142-H153 AromaticContact CG-CE1 3.47Å; Y142-H153 VanDerWaalsContact CG-CE1 3.47Å; Y142-H153 AromaticContact CG-CG 3.8Å; Y142-H153 AromaticContact CG-ND1 3.45Å; Y142-H153 AromaticContact CG-NE2 3.8Å
143	S	65.7	Low	69.9	Low	25 Å²	25	64.8 Å²	64.8	18%	0.175	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.9	174.4	43.9	0	0	0	0	109.5	R133 F135 E141	R133-S143 VanDerWaalsContact CB-CB 3.44Å; R133-S143 WeakPolarHBondContact CB-OG 3.22Å; R133-S143 VanDerWaalsContact CD-C 3.41Å; R133-S143 WeakPolarHBondContact CD-O 3.43Å; R133-S143 WeakPolarHBondContact CD-OG 3.28Å; R133-S143 PolarHBondContact NH1-O 3.49Å; R133-S143 PolarHBondContact NH1-OG 3.18Å; F135-S143 CarbonylContact O-C 3.5Å; F135-S143 VanDerWaalsContact O-CA 3.24Å; F135-S143 WeakPolarHBondContact O-CA 3.45Å; F135-S143 WeakPolarHBondContact O-CB 3.24Å; E141-S143 PolarHBondContact O-N 3.36Å
144	A	67.8	Low	71.1	Confident	2 Å²	2	59 Å²	59	2%	0.017	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.3	-172.5	0	0	0	0	0	111.7	R134 F135 Y142 T146 N149 L150	R134-A144 PolarHBondContact N-O 3.21Å; F135-A144 PolarHBondContact N-O 2.65Å; F135-A144 PolarHBondContact O-N 3.38Å; Y142-A144 HydrophobicContact CE1-CB 4.01Å; A144-T146 VanDerWaalsContact C-N 3.33Å; A144-T146 WeakPolarHBondContact CB-O 3.18Å; A144-N149 HydrophobicContact CB-CB 3.93Å; A144-L150 HydrophobicContact CB-CB 3.89Å
145	T	68.8	Low	72.1	Confident	33 Å²	33	54.8 Å²	54.8	20%	0.202	27%	0.272	C	S	.	.	S	Bend	trans	-80.9	-16.7	172.1	57.3	0	0	0	0	112.5	I127 I128	I127-T145 HydrophobicContact CG2-CG2 4.39Å; I128-T145 HydrophobicContact CG2-CG2 4.07Å
146	T	68.4	Low	72.9	Confident	27 Å²	27	59.1 Å²	59.1	17%	0.166	30%	0.295	C	S	.	.	S	Bend	trans	-131.6	148.8	175.3	64.1	0	0	0	0	111.9	F135 A144 S148 N149 L150	F135-T146 VanDerWaalsContact CD2-C 3.41Å; A144-T146 VanDerWaalsContact C-N 3.33Å; A144-T146 WeakPolarHBondContact CB-O 3.18Å; T146-S148 VanDerWaalsContact C-N 3.26Å; T146-S148 PolarHBondContact O-N 3.32Å; T146-S148 PolarHBondContact OG1-OG 3.44Å; T146-N149 PolarHBondContact O-N 3.12Å; T146-N149 VanDerWaalsContact OG1-CB 3.31Å; T146-N149 WeakPolarHBondContact OG1-CB 3.37Å; T146-N149 PolarHBondContact OG1-N 2.78Å; T146-N149 PolarHBondContact OG1-OD1 3.1Å; T146-L150 PolarHBondContact O-N 2.96Å; T146-L150 VanDerWaalsContact O-N 3.14Å
147	S	70.6	Confident	73.6	Confident	57 Å²	57	61 Å²	61	40%	0.399	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-32.9	172.7	56.3	0	0	0	0	112.6	N149 L150 R151	S147-N149 VanDerWaalsContact C-N 3.34Å; S147-N149 PolarHBondContact O-N 3.41Å; S147-L150 PolarHBondContact O-N 3.41Å; S147-R151 WeakPolarHBondContact O-CB 3.25Å; S147-R151 PolarHBondContact O-N 3.06Å
148	S	73.4	Confident	74.2	Confident	70 Å²	70	62.2 Å²	62.2	49%	0.49	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-41	176.5	63	0	0	0	0	112	T146 R152	T146-S148 VanDerWaalsContact C-N 3.26Å; T146-S148 PolarHBondContact O-N 3.32Å; T146-S148 PolarHBondContact OG1-OG 3.44Å; S148-R152 WeakPolarHBondContact O-CB 3.08Å; S148-R152 PolarHBondContact O-N 3.28Å
149	N	78.3	Confident	74.8	Confident	53 Å²	53	60.8 Å²	60.8	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-71.4	-37.3	178.9	-72.8	7.4	0	0	0	110.7	A144 T146 S147 R152 H153	A144-N149 HydrophobicContact CB-CB 3.93Å; T146-N149 PolarHBondContact O-N 3.12Å; T146-N149 VanDerWaalsContact OG1-CB 3.31Å; T146-N149 WeakPolarHBondContact OG1-CB 3.37Å; T146-N149 PolarHBondContact OG1-N 2.78Å; T146-N149 PolarHBondContact OG1-OD1 3.1Å; S147-N149 VanDerWaalsContact C-N 3.34Å; S147-N149 PolarHBondContact O-N 3.41Å; N149-R152 PolarHBondContact O-N 2.86Å; N149-H153 WeakPolarHBondContact O-CB 3.39Å; N149-H153 PolarHBondContact O-N 3.29Å
150	L	74.2	Confident	75.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-43.9	174.9	-174.1	56.6	0	0	0	112.2	F135 S136 C137 Y142 A144 T146 S147 R152 H153 A154 I270	F135-L150 HydrophobicContact CB-CB 4.12Å; F135-L150 HydrophobicContact CB-CD2 3.45Å; F135-L150 VanDerWaalsContact CB-CD2 3.45Å; F135-L150 HydrophobicContact CB-CG 4.43Å; S136-L150 VanDerWaalsContact O-CD2 3.29Å; S136-L150 WeakPolarHBondContact O-CD2 3.45Å; C137-L150 HydrophobicContact CB-CD1 3.88Å; Y142-L150 HydrophobicContact CD1-CD1 4.19Å; Y142-L150 HydrophobicContact CE1-CD1 4.48Å; A144-L150 HydrophobicContact CB-CB 3.89Å; T146-L150 PolarHBondContact O-N 2.96Å; T146-L150 VanDerWaalsContact O-N 3.14Å; S147-L150 PolarHBondContact O-N 3.41Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.49Å; L150-H153 WeakPolarHBondContact O-CB 3.4Å; L150-H153 PolarHBondContact O-N 2.99Å; L150-H153 VanDerWaalsContact O-N 3.13Å; L150-A154 PolarHBondContact O-N 3.13Å; L150-I270 HydrophobicContact CD2-CG2 4.38Å; L150-I270 WeakPolarHBondContact CD2-O 3.41Å; L150-I270 HydrophobicContact CG-CG2 3.86Å; L150-I270 WeakPolarHBondContact CG-O 3.4Å
151	R	80	Confident	76.6	Confident	168 Å²	168	61.3 Å²	61.3	63%	0.634	31%	0.312	S	S	*	.	H	α-helix	trans	-58.5	-43.7	174.2	-176.4	178.8	-65.2	159.9	-1.2	111.6	S147 H153 A154	S147-R151 WeakPolarHBondContact O-CB 3.25Å; S147-R151 PolarHBondContact O-N 3.06Å; R151-H153 VanDerWaalsContact C-N 3.34Å; R151-A154 PolarHBondContact O-N 2.91Å
152	R	81.7	Confident	77.5	Confident	95 Å²	95	52.2 Å²	52.2	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-44.1	174.9	-178.4	176.4	70.6	147	-6.2	111.6	S148 N149 L150 R155 E174	S148-R152 WeakPolarHBondContact O-CB 3.08Å; S148-R152 PolarHBondContact O-N 3.28Å; N149-R152 PolarHBondContact O-N 2.86Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.49Å; R152-R155 WeakPolarHBondContact O-CB 3.46Å; R152-R155 WeakPolarHBondContact O-CG 3.35Å; R152-R155 PolarHBondContact O-N 3.49Å; R152-E174 WeakPolarHBondContact CD-OE1 3.36Å; R152-E174 HydrophobicContact CG-CG 4.25Å; R152-E174 WeakPolarHBondContact CG-OE1 3.15Å; R152-E174 IonicContact CZ-OE1 2.67Å; R152-E174 IonicContact CZ-OE2 2.83Å; R152-E174 IonicContact NE-OE1 2.93Å; R152-E174 IonicContact NH1-OE1 2.72Å; R152-E174 PolarHBondContact NH1-OE1 3.03Å; R152-E174 IonicContact NH1-OE2 3.08Å; R152-E174 PolarHBondContact NH1-OE2 3.02Å
153	H	80.7	Confident	78.4	Confident	22 Å²	22	49.6 Å²	49.6	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-41.7	177.1	162.8	80.5	0	0	0	112.2	C137 C140 Y142 N149 L150 R151 R155 I156 H157	C137-H153 PolarHBondContact SG-NE2 3.36Å; C137-H153 VanDerWaalsContact SG-NE2 3.39Å; C140-H153 PolarHBondContact SG-CE1 3.25Å; C140-H153 PolarHBondContact SG-NE2 3.21Å; Y142-H153 WeakPolarHBondContact CB-CE1 3.28Å; Y142-H153 WeakPolarHBondContact CB-NE2 3.38Å; Y142-H153 HydrophobicContact CD1-CB 3.76Å; Y142-H153 AromaticContact CD1-CD2 3.39Å; Y142-H153 WeakPolarHBondContact CD1-CD2 3.31Å; Y142-H153 AromaticContact CD1-CE1 3.65Å; Y142-H153 AromaticContact CD1-CG 3.18Å; Y142-H153 AromaticContact CD1-ND1 3.36Å; Y142-H153 WeakPolarHBondContact CD1-ND1 3.32Å; Y142-H153 AromaticContact CD1-NE2 3.65Å; Y142-H153 AromaticContact CD2-ND1 3.99Å; Y142-H153 HydrophobicContact CE1-CB 3.48Å; Y142-H153 VanDerWaalsContact CE1-CB 3.48Å; Y142-H153 AromaticContact CE1-CG 3.47Å; Y142-H153 VanDerWaalsContact CE1-CG 3.47Å; Y142-H153 AromaticContact CE1-ND1 3.81Å; Y142-H153 AromaticContact CG-CE1 3.47Å; Y142-H153 VanDerWaalsContact CG-CE1 3.47Å; Y142-H153 AromaticContact CG-CG 3.8Å; Y142-H153 AromaticContact CG-ND1 3.45Å; Y142-H153 AromaticContact CG-NE2 3.8Å; N149-H153 WeakPolarHBondContact O-CB 3.39Å; N149-H153 PolarHBondContact O-N 3.29Å; L150-H153 WeakPolarHBondContact O-CB 3.4Å; L150-H153 PolarHBondContact O-N 2.99Å; L150-H153 VanDerWaalsContact O-N 3.13Å; R151-H153 VanDerWaalsContact C-N 3.34Å; H153-R155 PolarHBondContact O-N 3.15Å; H153-I156 VanDerWaalsContact O-CB 3.25Å; H153-I156 WeakPolarHBondContact O-CB 3.28Å; H153-I156 VanDerWaalsContact O-CG1 3.32Å; H153-I156 WeakPolarHBondContact O-CG1 3.25Å; H153-I156 PolarHBondContact O-N 3.29Å; H153-H157 AromaticContact CE1-NE2 3.72Å; H153-H157 AromaticContact NE2-CD2 3.66Å; H153-H157 AromaticContact NE2-NE2 3.23Å; H153-H157 PolarHBondContact NE2-NE2 2.67Å
154	A	78.4	Confident	79.6	Confident	2 Å²	2	50.6 Å²	50.6	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-19	-178.4	0	0	0	0	0	114.3	L150 R151 I156 H157 A158 I270	L150-A154 PolarHBondContact O-N 3.13Å; R151-A154 PolarHBondContact O-N 2.91Å; A154-I156 PolarHBondContact O-N 2.74Å; A154-H157 PolarHBondContact O-N 2.85Å; A154-H157 VanDerWaalsContact O-N 3.16Å; A154-A158 PolarHBondContact O-N 2.72Å; A154-A158 VanDerWaalsContact O-N 3.16Å; A154-I270 HydrophobicContact CB-CB 4.24Å; A154-I270 HydrophobicContact CB-CD1 3.35Å; A154-I270 HydrophobicContact CB-CG1 3.61Å; A154-I270 HydrophobicContact CB-CG2 3.51Å
155	R	84.3	Confident	80.5	Confident	28 Å²	28	50.7 Å²	50.7	11%	0.106	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-28.2	169.8	-63.8	178.9	-179.5	155.8	0.3	113	R152 H153 G159 A160 S173 D262	R152-R155 WeakPolarHBondContact O-CB 3.46Å; R152-R155 WeakPolarHBondContact O-CG 3.35Å; R152-R155 PolarHBondContact O-N 3.49Å; H153-R155 PolarHBondContact O-N 3.15Å; R155-G159 CarbonylContact O-C 3.07Å; R155-G159 PolarHBondContact O-N 2.97Å; R155-A160 HydrophobicContact CB-CB 4.06Å; R155-A160 HydrophobicContact CG-CB 4.23Å; R155-A160 PolarHBondContact O-N 3.4Å; R155-S173 WeakPolarHBondContact CD-O 3.47Å; R155-S173 PolarHBondContact NH1-O 3.37Å; R155-D262 IonicContact CZ-OD1 3.58Å; R155-D262 IonicContact CZ-OD2 3.94Å; R155-D262 IonicContact NE-OD1 3.51Å; R155-D262 PolarHBondContact NE-OD1 3.01Å; R155-D262 IonicContact NE-OD2 3.39Å; R155-D262 IonicContact NH2-OD1 3.24Å; R155-D262 PolarHBondContact NH2-OD1 3.48Å; R155-D262 IonicContact NH2-OD2 2.77Å; R155-D262 PolarHBondContact NH2-OD2 3.35Å
156	I	80.7	Confident	81	Confident	119 Å²	119	51.6 Å²	51.6	61%	0.61	27%	0.269	S	S	*	.	H	α-helix	trans	-64.1	-45	177.3	-60.9	170.6	0	0	0	109.7	H153 A154 G159	H153-I156 VanDerWaalsContact O-CB 3.25Å; H153-I156 WeakPolarHBondContact O-CB 3.28Å; H153-I156 VanDerWaalsContact O-CG1 3.32Å; H153-I156 WeakPolarHBondContact O-CG1 3.25Å; H153-I156 PolarHBondContact O-N 3.29Å; A154-I156 PolarHBondContact O-N 2.74Å; I156-G159 PolarHBondContact O-N 2.93Å
157	H	78.5	Confident	81.7	Confident	70 Å²	70	53.3 Å²	53.3	32%	0.324	28%	0.275	S	S	.	.	H	α-helix	trans	-68.5	-40.7	178.8	-66.1	-64.5	0	0	0	112.7	C137 Y139 C140 H153 A154 G159 P266	C137-H157 PolarHBondContact SG-CD2 3.41Å; C137-H157 PolarHBondContact SG-NE2 3.38Å; Y139-H157 HydrophobicContact CD2-CB 4.36Å; C140-H157 PolarHBondContact SG-NE2 2.87Å; H153-H157 AromaticContact CE1-NE2 3.72Å; H153-H157 AromaticContact NE2-CD2 3.66Å; H153-H157 AromaticContact NE2-NE2 3.23Å; H153-H157 PolarHBondContact NE2-NE2 2.67Å; A154-H157 PolarHBondContact O-N 2.85Å; A154-H157 VanDerWaalsContact O-N 3.16Å; H157-G159 PolarHBondContact O-N 2.88Å; H157-P266 HydrophobicContact CB-CG 4.26Å
158	A	80	Confident	82.5	Confident	35 Å²	35	52.1 Å²	52.1	29%	0.289	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.9	175.2	0	0	0	0	0	113.4	A154 A160 T264 P266	A154-A158 PolarHBondContact O-N 2.72Å; A154-A158 VanDerWaalsContact O-N 3.16Å; A158-A160 HydrophobicContact CB-CB 3.9Å; A158-A160 PolarHBondContact O-N 2.94Å; A158-A160 VanDerWaalsContact O-N 3.11Å; A158-T264 WeakPolarHBondContact CB-O 3.38Å; A158-P266 HydrophobicContact CB-CG 4.08Å
159	G	81.4	Confident	83.2	Confident	56 Å²	56	54.8 Å²	54.8	58%	0.577	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	17	-165.8	0	0	0	0	0	113.2	R155 I156 H157 R161	R155-G159 CarbonylContact O-C 3.07Å; R155-G159 PolarHBondContact O-N 2.97Å; I156-G159 PolarHBondContact O-N 2.93Å; H157-G159 PolarHBondContact O-N 2.88Å; G159-R161 PolarHBondContact O-N 2.94Å
160	A	86.3	Confident	83.7	Confident	3 Å²	3	56 Å²	56	3%	0.025	29%	0.286	C	S	.	.			trans	-69.1	118.2	-171	0	0	0	0	0	111	R155 A158 P162 S173 I261	R155-A160 HydrophobicContact CB-CB 4.06Å; R155-A160 HydrophobicContact CG-CB 4.23Å; R155-A160 PolarHBondContact O-N 3.4Å; A158-A160 HydrophobicContact CB-CB 3.9Å; A158-A160 PolarHBondContact O-N 2.94Å; A158-A160 VanDerWaalsContact O-N 3.11Å; A160-P162 VanDerWaalsContact C-CD 3.44Å; A160-P162 WeakPolarHBondContact O-CD 3.38Å; A160-S173 WeakPolarHBondContact O-CB 3.31Å; A160-I261 HydrophobicContact CB-CG2 4.37Å; A160-I261 VanDerWaalsContact CB-O 3.27Å; A160-I261 WeakPolarHBondContact CB-O 3.47Å
161	R	89.9	Confident	84.5	Confident	145 Å²	145	60 Å²	60	55%	0.547	30%	0.301	S	S	.	.			trans	-120.1	72.6	174.6	-67.4	176.2	167.2	-177.6	-0.3	109.8	G159 Y163 R171 T172	G159-R161 PolarHBondContact O-N 2.94Å; R161-Y163 PolarHBondContact O-N 3.41Å; R161-R171 HydrophobicContact CB-CB 3.71Å; R161-R171 WeakPolarHBondContact CD-O 3.23Å; R161-R171 WeakPolarHBondContact O-CB 3.5Å; R161-T172 CarbonylContact C-O 3.6Å; R161-T172 VanDerWaalsContact CA-O 3.23Å; R161-T172 WeakPolarHBondContact CA-O 3.38Å
162	P	88.5	Confident	85	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.			trans	-73.8	-15.2	-170.3	30.1	-36.1	0	0	0	113.5	A160 Y257 C258 I261 D262	A160-P162 VanDerWaalsContact C-CD 3.44Å; A160-P162 WeakPolarHBondContact O-CD 3.38Å; P162-Y257 HydrophobicContact CB-CD2 3.85Å; P162-Y257 HydrophobicContact CB-CE2 3.68Å; P162-Y257 HydrophobicContact CG-CD2 4.2Å; P162-Y257 HydrophobicContact CG-CE2 3.87Å; P162-Y257 WeakPolarHBondContact O-CA 3.23Å; P162-C258 WeakPolarHBondContact CB-O 3.39Å; P162-C258 PolarHBondContact O-N 2.95Å; P162-I261 HydrophobicContact CB-CB 4.31Å; P162-I261 HydrophobicContact CB-CG2 4.33Å; P162-D262 HydrophobicContact CB-CB 3.84Å; P162-D262 HydrophobicContact CG-CB 4.06Å
163	Y	89.5	Confident	85.3	Confident	31 Å²	31	50 Å²	50	12%	0.122	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.8	-178.8	-61.2	-81.3	0	0	0	110.8	R161 R171 T172 L175 I256 Y257	R161-Y163 PolarHBondContact O-N 3.41Å; Y163-R171 CarbonylContact O-C 3.59Å; Y163-R171 WeakPolarHBondContact O-CA 3.49Å; Y163-R171 WeakPolarHBondContact O-CB 3.28Å; Y163-T172 PolarHBondContact N-O 3.3Å; Y163-T172 VanDerWaalsContact N-O 3.1Å; Y163-T172 PolarHBondContact O-N 2.97Å; Y163-L175 HydrophobicContact CD1-CB 4.07Å; Y163-L175 HydrophobicContact CD1-CD1 3.99Å; Y163-L175 HydrophobicContact CE1-CB 3.78Å; Y163-L175 HydrophobicContact CE1-CD1 4.21Å; Y163-L175 HydrophobicContact CE1-CG 4.44Å; Y163-L175 HydrophobicContact CE2-CB 4.47Å; Y163-I256 CarbonylContact C-O 3.59Å; Y163-I256 WeakPolarHBondContact CA-O 3.38Å; Y163-Y257 AromaticContact CD1-CD2 3.88Å; Y163-Y257 HydrophobicContact CD1-CD2 3.88Å; Y163-Y257 HydrophobicContact CD1-CG 4.45Å; Y163-Y257 AromaticContact CE1-CD2 3.44Å; Y163-Y257 HydrophobicContact CE1-CD2 3.44Å; Y163-Y257 VanDerWaalsContact CE1-CD2 3.44Å; Y163-Y257 HydrophobicContact CE1-CE2 4.29Å; Y163-Y257 HydrophobicContact CE1-CG 4.07Å; Y163-Y257 HydrophobicContact CE2-CD2 4.21Å; Y163-Y257 HydrophobicContact CE2-CE2 4.45Å; Y163-Y257 HydrophobicContact CG-CD2 4.43Å; Y163-Y257 AromaticContact CZ-CD2 3.63Å
164	L	89.3	Confident	85.6	Confident	47 Å²	47	51.8 Å²	51.8	25%	0.246	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.3	179.8	176.8	63.3	0	0	0	110.6	R171 L178 I256	L164-R171 HydrophobicContact CB-CG 4.35Å; L164-R171 HydrophobicContact CD1-CG 3.74Å; L164-L178 WeakPolarHBondContact O-CD2 3.39Å; L164-I256 PolarHBondContact N-O 3.23Å
165	C	86.6	Confident	85.8	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.02	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69.4	129.6	168	-177.1	0	0	0	0	110.5	H167 C168 H170 L178 H181	C165-H167 PolarHBondContact O-N 2.73Å; C165-H167 PolarHBondContact SG-N 2.8Å; C165-C168 WeakPolarHBondContact CB-O 3.19Å; C165-C168 VanDerWaalsContact SG-SG 3.64Å; C165-H170 HydrophobicContact CB-CB 4.41Å; C165-H170 WeakPolarHBondContact CB-O 3.28Å; C165-H170 PolarHBondContact N-O 2.82Å; C165-L178 HydrophobicContact CB-CD1 3.73Å; C165-H181 VanDerWaalsContact SG-CD2 3.55Å; C165-H181 PolarHBondContact SG-NE2 3.18Å; C165-H181 VanDerWaalsContact SG-NE2 3.4Å
166	P	80.3	Confident	85.8	Confident	53 Å²	53	56.3 Å²	56.3	34%	0.344	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.6	177.7	27.4	-35.3	0	0	0	113.3	V195	P166-V195 HydrophobicContact CB-CG2 4.29Å
167	H	82.5	Confident	86.1	Confident	62 Å²	62	52.8 Å²	52.8	29%	0.287	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-7.9	-172.2	-57.6	-56.5	0	0	0	114.1	C165 H188 L191 P192	C165-H167 PolarHBondContact O-N 2.73Å; C165-H167 PolarHBondContact SG-N 2.8Å; H167-H188 WeakPolarHBondContact CB-CE1 3.39Å; H167-H188 WeakPolarHBondContact CB-ND1 3.46Å; H167-L191 HydrophobicContact CB-CD1 4.28Å; H167-P192 PolarHBondContact NE2-O 2.87Å
168	C	86.8	Confident	86.4	Confident	33 Å²	33	49.4 Å²	49.4	22%	0.223	28%	0.278	C	S	.	.	S	Bend	trans	-155.6	162.7	177	74.4	0	0	0	0	111.1	C165 H170 H181 H188	C165-C168 WeakPolarHBondContact CB-O 3.19Å; C165-C168 VanDerWaalsContact SG-SG 3.64Å; C168-H170 PolarHBondContact O-N 3.33Å; C168-H170 WeakPolarHBondContact SG-CB 3.23Å; C168-H181 PolarHBondContact SG-NE2 2.94Å; C168-H188 PolarHBondContact SG-NE2 2.84Å
169	P	88.2	Confident	86.4	Confident	125 Å²	125	50.8 Å²	50.8	81%	0.812	28%	0.278	S	S	*	.	S	Bend	trans	-69.7	7.4	-179.4	28.7	-36	0	0	0	114.2
170	H	89.7	Confident	86.4	Confident	80 Å²	80	55.1 Å²	55.1	37%	0.37	28%	0.281	S	S	.	.			trans	-70.1	135.3	-178.9	-171.6	68.1	0	0	0	111.7	C165 C168 H181	C165-H170 HydrophobicContact CB-CB 4.41Å; C165-H170 WeakPolarHBondContact CB-O 3.28Å; C165-H170 PolarHBondContact N-O 2.82Å; C168-H170 PolarHBondContact O-N 3.33Å; C168-H170 WeakPolarHBondContact SG-CB 3.23Å; H170-H181 AromaticContact CD2-CE1 3.64Å; H170-H181 AromaticContact CD2-CG 3.71Å; H170-H181 AromaticContact CD2-ND1 3.47Å; H170-H181 PolarHBondContact CD2-ND1 3.28Å; H170-H181 AromaticContact CD2-NE2 3.96Å; H170-H181 AromaticContact CG-CE1 3.84Å
171	R	91.2	Very high	86.3	Confident	84 Å²	84	55.8 Å²	55.8	32%	0.317	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.1	176.9	-65.5	179.5	173.5	-88.6	2	111.9	R161 Y163 L164	R161-R171 HydrophobicContact CB-CB 3.71Å; R161-R171 WeakPolarHBondContact CD-O 3.23Å; R161-R171 WeakPolarHBondContact O-CB 3.5Å; Y163-R171 CarbonylContact O-C 3.59Å; Y163-R171 WeakPolarHBondContact O-CA 3.49Å; Y163-R171 WeakPolarHBondContact O-CB 3.28Å; L164-R171 HydrophobicContact CB-CG 4.35Å; L164-R171 HydrophobicContact CD1-CG 3.74Å
172	T	89.8	Confident	85.8	Confident	10 Å²	10	49 Å²	49	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157	176.6	69.5	0	0	0	0	112	R161 Y163 E174 A177 L178	R161-T172 CarbonylContact C-O 3.6Å; R161-T172 VanDerWaalsContact CA-O 3.23Å; R161-T172 WeakPolarHBondContact CA-O 3.38Å; Y163-T172 PolarHBondContact N-O 3.3Å; Y163-T172 VanDerWaalsContact N-O 3.1Å; Y163-T172 PolarHBondContact O-N 2.97Å; T172-E174 VanDerWaalsContact C-N 3.35Å; T172-E174 PolarHBondContact OG1-O 3.01Å; T172-A177 HydrophobicContact CG2-CB 4.14Å; T172-L178 HydrophobicContact CG2-CB 4.35Å; T172-L178 WeakPolarHBondContact OG1-CB 3.31Å
173	S	87.7	Confident	85.1	Confident	42 Å²	42	54.2 Å²	54.2	29%	0.294	29%	0.285	S	S	.	.	S	Bend	trans	-78.9	-19	175.2	53.7	0	0	0	0	113.3	R155 A160	R155-S173 WeakPolarHBondContact CD-O 3.47Å; R155-S173 PolarHBondContact NH1-O 3.37Å; A160-S173 WeakPolarHBondContact O-CB 3.31Å
174	E	86.7	Confident	84.3	Confident	59 Å²	59	59.2 Å²	59.2	28%	0.276	31%	0.314	S	S	.	.	S	Bend	trans	-134.5	144.6	-177.3	-60.6	-165.8	-169.8	0	0	112	R152 T172 D176 A177 L178	R152-E174 WeakPolarHBondContact CD-OE1 3.36Å; R152-E174 HydrophobicContact CG-CG 4.25Å; R152-E174 WeakPolarHBondContact CG-OE1 3.15Å; R152-E174 IonicContact CZ-OE1 2.67Å; R152-E174 IonicContact CZ-OE2 2.83Å; R152-E174 IonicContact NE-OE1 2.93Å; R152-E174 IonicContact NH1-OE1 2.72Å; R152-E174 PolarHBondContact NH1-OE1 3.03Å; R152-E174 IonicContact NH1-OE2 3.08Å; R152-E174 PolarHBondContact NH1-OE2 3.02Å; T172-E174 VanDerWaalsContact C-N 3.35Å; T172-E174 PolarHBondContact OG1-O 3.01Å; E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 3.12Å; E174-A177 HydrophobicContact CB-CB 4.39Å; E174-A177 WeakPolarHBondContact O-CB 3.22Å; E174-A177 PolarHBondContact O-N 2.68Å; E174-L178 PolarHBondContact O-N 2.83Å
175	L	84.3	Confident	83	Confident	33 Å²	33	59 Å²	59	17%	0.173	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-36.4	179.3	-179.1	60.6	0	0	0	112.5	Y163 A177 L178 K179 T251 I256	Y163-L175 HydrophobicContact CD1-CB 4.07Å; Y163-L175 HydrophobicContact CD1-CD1 3.99Å; Y163-L175 HydrophobicContact CE1-CB 3.78Å; Y163-L175 HydrophobicContact CE1-CD1 4.21Å; Y163-L175 HydrophobicContact CE1-CG 4.44Å; Y163-L175 HydrophobicContact CE2-CB 4.47Å; L175-A177 VanDerWaalsContact C-N 3.32Å; L175-L178 HydrophobicContact CD1-CD2 4.38Å; L175-L178 WeakPolarHBondContact O-CB 2.96Å; L175-L178 PolarHBondContact O-N 2.83Å; L175-L178 VanDerWaalsContact O-N 3.15Å; L175-K179 PolarHBondContact O-N 3.39Å; L175-T251 HydrophobicContact CD2-CG2 4.42Å; L175-I256 HydrophobicContact CD1-CG2 4.46Å
176	D	83.6	Confident	81.9	Confident	93 Å²	93	61.9 Å²	61.9	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-71.1	-31.1	179.7	-66.3	-30.5	0	0	0	111.9	E174 L178 K179 K180	E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 3.12Å; D176-L178 VanDerWaalsContact C-N 3.31Å; D176-K179 PolarHBondContact O-N 3.46Å; D176-K179 IonicContact OD1-NZ 2.89Å; D176-K179 PolarHBondContact OD1-NZ 3.1Å; D176-K180 WeakPolarHBondContact O-CG 3.4Å; D176-K180 PolarHBondContact O-N 3.05Å
177	A	86.6	Confident	81.4	Confident	44 Å²	44	68.3 Å²	68.3	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-37.9	169.4	0	0	0	0	0	111.1	T172 E174 L175 K180 H181	T172-A177 HydrophobicContact CG2-CB 4.14Å; E174-A177 HydrophobicContact CB-CB 4.39Å; E174-A177 WeakPolarHBondContact O-CB 3.22Å; E174-A177 PolarHBondContact O-N 2.68Å; L175-A177 VanDerWaalsContact C-N 3.32Å; A177-K180 PolarHBondContact O-N 2.77Å; A177-H181 WeakPolarHBondContact O-CB 3.26Å; A177-H181 PolarHBondContact O-N 3.29Å
178	L	84.7	Confident	81	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-42.6	173.9	177.8	63.5	0	0	0	112.1	L164 C165 T172 E174 L175 D176 K180 H181 V182 L193 I256	L164-L178 WeakPolarHBondContact O-CD2 3.39Å; C165-L178 HydrophobicContact CB-CD1 3.73Å; T172-L178 HydrophobicContact CG2-CB 4.35Å; T172-L178 WeakPolarHBondContact OG1-CB 3.31Å; E174-L178 PolarHBondContact O-N 2.83Å; L175-L178 HydrophobicContact CD1-CD2 4.38Å; L175-L178 WeakPolarHBondContact O-CB 2.96Å; L175-L178 PolarHBondContact O-N 2.83Å; L175-L178 VanDerWaalsContact O-N 3.15Å; D176-L178 VanDerWaalsContact C-N 3.31Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.24Å; L178-H181 WeakPolarHBondContact O-CA 3.18Å; L178-H181 WeakPolarHBondContact O-CB 3.37Å; L178-H181 PolarHBondContact O-N 3.11Å; L178-H181 VanDerWaalsContact O-N 3.13Å; L178-V182 HydrophobicContact CD1-CG2 4.07Å; L178-V182 HydrophobicContact CG-CG2 4.49Å; L178-V182 PolarHBondContact O-N 2.94Å; L178-L193 HydrophobicContact CD2-CD1 3.82Å; L178-L193 HydrophobicContact CG-CD1 3.76Å; L178-I256 HydrophobicContact CD2-CG2 3.29Å
179	K	81.6	Confident	80.3	Confident	64 Å²	64	69.6 Å²	69.6	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-56	-48.7	174.8	-75.7	171.6	-172	163.4	0	111.1	L175 D176 H181 V182 L183 L193	L175-K179 PolarHBondContact O-N 3.39Å; D176-K179 PolarHBondContact O-N 3.46Å; D176-K179 IonicContact OD1-NZ 2.89Å; D176-K179 PolarHBondContact OD1-NZ 3.1Å; K179-H181 VanDerWaalsContact C-N 3.32Å; K179-H181 PolarHBondContact O-N 3.09Å; K179-V182 PolarHBondContact O-N 3.37Å; K179-L183 HydrophobicContact CB-CD1 4.42Å; K179-L183 VanDerWaalsContact O-CB 3.24Å; K179-L183 WeakPolarHBondContact O-CB 3.49Å; K179-L183 VanDerWaalsContact O-CG 3.28Å; K179-L183 WeakPolarHBondContact O-CG 3.42Å; K179-L183 PolarHBondContact O-N 3.16Å; K179-L193 HydrophobicContact CB-CD2 4.27Å; K179-L193 HydrophobicContact CG-CD2 3.36Å
180	K	80.5	Confident	79.4	Confident	146 Å²	146	67.8 Å²	67.8	64%	0.635	38%	0.38	S	S	*	.	H	α-helix	trans	-61.1	-42.8	175.5	-70.9	180	179.6	-174.6	0	111.3	D176 A177 L178 V182 L183 D184 S185	D176-K180 WeakPolarHBondContact O-CG 3.4Å; D176-K180 PolarHBondContact O-N 3.05Å; A177-K180 PolarHBondContact O-N 2.77Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.24Å; K180-V182 PolarHBondContact O-N 3.07Å; K180-L183 PolarHBondContact O-N 3.19Å; K180-D184 WeakPolarHBondContact O-CA 3.05Å; K180-D184 VanDerWaalsContact O-CB 3.22Å; K180-D184 WeakPolarHBondContact O-CB 3.35Å; K180-D184 PolarHBondContact O-N 3.37Å; K180-S185 PolarHBondContact O-N 3.36Å
181	H	84.2	Confident	78.6	Confident	17 Å²	17	67.6 Å²	67.6	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-57.1	-46.9	175.2	170.9	79.6	0	0	0	112.1	C165 C168 H170 A177 L178 K179 S185 H188	C165-H181 VanDerWaalsContact SG-CD2 3.55Å; C165-H181 PolarHBondContact SG-NE2 3.18Å; C165-H181 VanDerWaalsContact SG-NE2 3.4Å; C168-H181 PolarHBondContact SG-NE2 2.94Å; H170-H181 AromaticContact CD2-CE1 3.64Å; H170-H181 AromaticContact CD2-CG 3.71Å; H170-H181 AromaticContact CD2-ND1 3.47Å; H170-H181 PolarHBondContact CD2-ND1 3.28Å; H170-H181 AromaticContact CD2-NE2 3.96Å; H170-H181 AromaticContact CG-CE1 3.84Å; A177-H181 WeakPolarHBondContact O-CB 3.26Å; A177-H181 PolarHBondContact O-N 3.29Å; L178-H181 WeakPolarHBondContact O-CA 3.18Å; L178-H181 WeakPolarHBondContact O-CB 3.37Å; L178-H181 PolarHBondContact O-N 3.11Å; L178-H181 VanDerWaalsContact O-N 3.13Å; K179-H181 VanDerWaalsContact C-N 3.32Å; K179-H181 PolarHBondContact O-N 3.09Å; H181-S185 WeakPolarHBondContact O-CB 3.24Å; H181-S185 PolarHBondContact O-OG 3.3Å; H181-H188 AromaticContact NE2-CD2 3.63Å; H181-H188 AromaticContact NE2-NE2 3.54Å
182	V	79.4	Confident	77.7	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-74.3	-42.1	-179.3	179.8	0	0	0	0	112.2	L178 K179 K180 H188 L193	L178-V182 HydrophobicContact CD1-CG2 4.07Å; L178-V182 HydrophobicContact CG-CG2 4.49Å; L178-V182 PolarHBondContact O-N 2.94Å; K179-V182 PolarHBondContact O-N 3.37Å; K180-V182 PolarHBondContact O-N 3.07Å; V182-H188 HydrophobicContact CG1-CB 4.45Å; V182-L193 HydrophobicContact CB-CD1 4.19Å; V182-L193 HydrophobicContact CG1-CB 4.32Å; V182-L193 HydrophobicContact CG2-CD1 3.66Å
183	L	74.7	Confident	77	Confident	110 Å²	110	65.1 Å²	65.1	58%	0.576	38%	0.376	S	S	*	.	H	α-helix	trans	-87.1	-31	-169.5	-63.9	171.4	0	0	0	114.6	K179 K180	K179-L183 HydrophobicContact CB-CD1 4.42Å; K179-L183 VanDerWaalsContact O-CB 3.24Å; K179-L183 WeakPolarHBondContact O-CB 3.49Å; K179-L183 VanDerWaalsContact O-CG 3.28Å; K179-L183 WeakPolarHBondContact O-CG 3.42Å; K179-L183 PolarHBondContact O-N 3.16Å; K180-L183 PolarHBondContact O-N 3.19Å
184	D	71.8	Confident	76.5	Confident	136 Å²	136	63.4 Å²	63.4	73%	0.727	36%	0.363	S	S	*	.	H	α-helix	trans	-112.9	-26.8	-169	-169.6	45.9	0	0	0	112.5	K180 G186	K180-D184 WeakPolarHBondContact O-CA 3.05Å; K180-D184 VanDerWaalsContact O-CB 3.22Å; K180-D184 WeakPolarHBondContact O-CB 3.35Å; K180-D184 PolarHBondContact O-N 3.37Å; D184-G186 PolarHBondContact O-N 3.41Å
185	S	63.1	Low	75.9	Confident	44 Å²	44	63.4 Å²	63.4	31%	0.308	37%	0.367	S	S	.	.	S	Bend	trans	-75.6	8.6	-162.3	80.2	0	0	0	0	116.5	K180 H181 R187	K180-S185 PolarHBondContact O-N 3.36Å; H181-S185 WeakPolarHBondContact O-CB 3.24Å; H181-S185 PolarHBondContact O-OG 3.3Å; S185-R187 PolarHBondContact O-N 3.43Å
186	G	63.3	Low	75.5	Confident	63 Å²	63	62.7 Å²	62.7	65%	0.649	36%	0.364	S	S	*	.	S	Bend	trans	61.7	-9.5	-178.2	0	0	0	0	0	115.2	D184 P189	D184-G186 PolarHBondContact O-N 3.41Å; G186-P189 WeakPolarHBondContact O-CD 3.5Å
187	R	69.3	Low	75.2	Confident	188 Å²	188	61.5 Å²	61.5	71%	0.709	36%	0.362	S	S	*	.	S	Bend	trans	-77.5	-26.4	177.9	-65.8	-178.6	-148.2	-108.8	-1.3	112.8	S185 P189	S185-R187 PolarHBondContact O-N 3.43Å; R187-P189 VanDerWaalsContact C-CD 3.46Å
188	H	73.9	Confident	74.9	Confident	18 Å²	18	62.8 Å²	62.8	8%	0.083	36%	0.357	C	S	.	.	S	Bend	trans	-132.4	52.1	-175.3	-61.5	-48.2	0	0	0	111.4	H167 C168 H181 V182 G190 L191	H167-H188 WeakPolarHBondContact CB-CE1 3.39Å; H167-H188 WeakPolarHBondContact CB-ND1 3.46Å; C168-H188 PolarHBondContact SG-NE2 2.84Å; H181-H188 AromaticContact NE2-CD2 3.63Å; H181-H188 AromaticContact NE2-NE2 3.54Å; V182-H188 HydrophobicContact CG1-CB 4.45Å; H188-G190 PolarHBondContact O-N 3.25Å; H188-L191 HydrophobicContact CB-CB 4.13Å; H188-L191 HydrophobicContact CB-CD1 4.09Å; H188-L191 HydrophobicContact CB-CG 4.5Å; H188-L191 PolarHBondContact O-N 3.17Å; H188-L191 VanDerWaalsContact O-N 3.13Å
189	P	71.2	Confident	74.3	Confident	104 Å²	104	64.6 Å²	64.6	68%	0.675	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	125.4	-175	28	-33.2	0	0	0	110.1	G186 R187 L191	G186-P189 WeakPolarHBondContact O-CD 3.5Å; R187-P189 VanDerWaalsContact C-CD 3.46Å; P189-L191 PolarHBondContact O-N 3.48Å
190	G	70	Confident	73.4	Confident	87 Å²	87	73.2 Å²	73.2	90%	0.897	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-1.2	178.9	0	0	0	0	0	115.6	H188	H188-G190 PolarHBondContact O-N 3.25Å
191	L	73.8	Confident	72	Confident	75 Å²	75	69.4 Å²	69.4	39%	0.393	39%	0.392	S	S	.	.			trans	-83.3	144	-179.3	-66.5	-179.5	0	0	0	112.2	H167 H188 P189	H167-L191 HydrophobicContact CB-CD1 4.28Å; H188-L191 HydrophobicContact CB-CB 4.13Å; H188-L191 HydrophobicContact CB-CD1 4.09Å; H188-L191 HydrophobicContact CB-CG 4.5Å; H188-L191 PolarHBondContact O-N 3.17Å; H188-L191 VanDerWaalsContact O-N 3.13Å; P189-L191 PolarHBondContact O-N 3.48Å
192	P	72.2	Confident	70.4	Confident	36 Å²	36	78.1 Å²	78.1	23%	0.234	43%	0.433	C	S	.	.			trans	-75.6	141.8	-176.4	31.8	-38.8	0	0	0	112.8	H167 V195 C207	H167-P192 PolarHBondContact NE2-O 2.87Å; P192-V195 HydrophobicContact CG-CG2 3.88Å; P192-C207 HydrophobicContact CB-CB 3.32Å; P192-C207 WeakPolarHBondContact CB-SG 3.43Å
193	L	73.6	Confident	68.8	Low	6 Å²	6	81.8 Å²	81.8	3%	0.031	46%	0.459	C	S	.	.	S	Bend	trans	-70.6	-33.9	170.7	175.7	62.4	0	0	0	112.7	L178 K179 V182 I256	L178-L193 HydrophobicContact CD2-CD1 3.82Å; L178-L193 HydrophobicContact CG-CD1 3.76Å; K179-L193 HydrophobicContact CB-CD2 4.27Å; K179-L193 HydrophobicContact CG-CD2 3.36Å; V182-L193 HydrophobicContact CB-CD1 4.19Å; V182-L193 HydrophobicContact CG1-CB 4.32Å; V182-L193 HydrophobicContact CG2-CD1 3.66Å; L193-I256 WeakPolarHBondContact O-CD1 3.29Å
194	Y	77.6	Confident	67.4	Low	6 Å²	6	81.6 Å²	81.6	2%	0.024	47%	0.467	C	S	.	.			trans	-110.5	107	-175.8	-62.1	-66.8	0	0	0	109	C207 A212 S213 A216 L254 I256	Y194-C207 PolarHBondContact O-SG 3.37Å; Y194-A212 HydrophobicContact CD2-CB 3.47Å; Y194-A212 VanDerWaalsContact CD2-CB 3.47Å; Y194-A212 HydrophobicContact CE2-CB 3.53Å; Y194-S213 PolarHBondContact OH-OG 3.17Å; Y194-A216 HydrophobicContact CG-CB 4.3Å; Y194-L254 HydrophobicContact CD1-CD1 3.31Å; Y194-L254 HydrophobicContact CE1-CD1 4.18Å; Y194-L254 HydrophobicContact CG-CD1 3.96Å; Y194-I256 HydrophobicContact CD1-CD1 3.39Å; Y194-I256 HydrophobicContact CE1-CD1 3.78Å; Y194-I256 HydrophobicContact CG-CD1 4.41Å
195	V	73.8	Confident	66.2	Low	59 Å²	59	80.1 Å²	80.1	36%	0.358	46%	0.463	S	S	.	.			trans	-106.1	124.7	176.8	-178.4	0	0	0	0	107.9	P166 P192 L254	P166-V195 HydrophobicContact CB-CG2 4.29Å; P192-V195 HydrophobicContact CG-CG2 3.88Å; V195-L254 WeakPolarHBondContact O-CD2 3.44Å
196	C	77.6	Confident	65.5	Low	18 Å²	18	79.3 Å²	79.3	12%	0.122	46%	0.456	C	S	.	.			trans	-66.6	127.8	175.2	-177.9	0	0	0	0	109.5	W198 C199 H219 H224	C196-W198 PolarHBondContact O-N 3.28Å; C196-C199 HydrophobicContact CB-CB 4.15Å; C196-C199 WeakPolarHBondContact CB-O 3.26Å; C196-C199 VanDerWaalsContact O-O 3.08Å; C196-C199 PolarHBondContact SG-N 2.96Å; C196-C199 VanDerWaalsContact SG-N 3.37Å; C196-H219 WeakPolarHBondContact CB-NE2 3.21Å; C196-H219 PolarHBondContact SG-NE2 3.45Å; C196-H219 VanDerWaalsContact SG-NE2 3.41Å; C196-H224 PolarHBondContact SG-CD2 3.11Å; C196-H224 PolarHBondContact SG-NE2 3.34Å
197	P	75.9	Confident	64.6	Low	69 Å²	69	77.9 Å²	77.9	45%	0.448	44%	0.436	S	S	.	.	S	Bend	trans	-72.7	-16.9	-179.9	27.6	-33.5	0	0	0	113.2
198	W	81	Confident	63.5	Low	70 Å²	70	75.2 Å²	75.2	27%	0.265	44%	0.44	S	S	.	.	S	Bend	trans	-102.2	-41.6	-177.1	-62.4	-74	0	0	0	112.8	C196 L220 H224 E227 I228 T233 L253	C196-W198 PolarHBondContact O-N 3.28Å; W198-L220 HydrophobicContact CE3-CD2 3.85Å; W198-L220 HydrophobicContact CZ3-CD2 3.65Å; W198-H224 VanDerWaalsContact CB-CE1 3.47Å; W198-H224 WeakPolarHBondContact CB-CE1 3.23Å; W198-H224 HydrophobicContact CD2-CB 4.2Å; W198-H224 HydrophobicContact CE3-CB 3.69Å; W198-H224 AromaticContact CE3-CD2 3.98Å; W198-H224 AromaticContact CE3-CG 3.76Å; W198-H224 HydrophobicContact CZ3-CB 4.15Å; W198-E227 HydrophobicContact CD2-CB 4.14Å; W198-E227 HydrophobicContact CG-CB 4.37Å; W198-E227 HydrophobicContact CG-CG 4.35Å; W198-E227 HydrophobicContact CZ2-CB 4.04Å; W198-I228 HydrophobicContact CH2-CG1 3.71Å; W198-I228 HydrophobicContact CZ3-CG1 3.98Å; W198-T233 HydrophobicContact CH2-CG2 4.37Å; W198-T233 HydrophobicContact CZ2-CG2 4.13Å; W198-L253 HydrophobicContact CH2-CD2 4.24Å
199	C	72.6	Confident	62	Low	39 Å²	39	76.3 Å²	76.3	26%	0.264	46%	0.456	S	S	.	.			trans	-97.6	111.3	172.1	-82.3	0	0	0	0	109.4	C196 S201 H224	C196-C199 HydrophobicContact CB-CB 4.15Å; C196-C199 WeakPolarHBondContact CB-O 3.26Å; C196-C199 VanDerWaalsContact O-O 3.08Å; C196-C199 PolarHBondContact SG-N 2.96Å; C196-C199 VanDerWaalsContact SG-N 3.37Å; C199-S201 WeakPolarHBondContact CB-OG 3.23Å; C199-S201 PolarHBondContact O-N 3.44Å; C199-H224 PolarHBondContact SG-CE1 3.32Å; C199-H224 PolarHBondContact SG-NE2 3.05Å
200	R	61.3	Low	60.7	Low	245 Å²	245	81.7 Å²	81.7	93%	0.925	47%	0.469	S	S	*	.			trans	-71.4	17.2	163.4	-68.6	-177.1	177.6	176.8	-1	112.3	E202	R200-E202 PolarHBondContact O-N 3.31Å; R200-E202 VanDerWaalsContact O-N 3.15Å
201	S	52.3	Low	59.8	Low	66 Å²	66	82 Å²	82	46%	0.462	45%	0.451	S	S	.	.			trans	-69.9	113.2	-179.5	59	0	0	0	0	109.5	C199 S203	C199-S201 WeakPolarHBondContact CB-OG 3.23Å; C199-S201 PolarHBondContact O-N 3.44Å; S201-S203 PolarHBondContact O-N 2.85Å
202	E	49.7	Very low	59.3	Low	199 Å²	199	79 Å²	79	93%	0.93	44%	0.436	S	S	*	.			trans	-71.8	-0.4	170.6	-64.8	177.7	173.5	0	0	112	R200 S204	R200-E202 PolarHBondContact O-N 3.31Å; R200-E202 VanDerWaalsContact O-N 3.15Å; E202-S204 PolarHBondContact O-N 3.43Å
203	S	46.2	Very low	59.1	Low	79 Å²	79	78.6 Å²	78.6	55%	0.552	43%	0.434	S	S	*	.			trans	-73.3	81.8	-172	69.3	0	0	0	0	113.3	S201 T205	S201-S203 PolarHBondContact O-N 2.85Å; S203-T205 PolarHBondContact O-N 2.85Å
204	S	45	Very low	59.1	Low	107 Å²	107	80 Å²	80	75%	0.748	45%	0.445	S	S	*	.	S	Bend		86	-7.2	114.5	75.2	0	0	0	0	122.9	E202	E202-S204 PolarHBondContact O-N 3.43Å
205	T	47.8	Very low	58.9	Low	105 Å²	105	81.9 Å²	81.9	64%	0.644	46%	0.455	S	S	*	.	S	Bend	trans	-138.7	-10.4	176.8	51.4	0	0	0	0	117.8	S203 C207	S203-T205 PolarHBondContact O-N 2.85Å; T205-C207 VanDerWaalsContact C-N 3.3Å; T205-C207 PolarHBondContact O-N 2.92Å
206	V	46.5	Very low	59	Low	26 Å²	26	79.2 Å²	79.2	16%	0.158	44%	0.439	C	S	.	.	S	Bend	trans	-78.7	-18	-177.1	-179.9	0	0	0	0	112.4	A212 A216 H219	V206-A212 WeakPolarHBondContact O-CB 3.34Å; V206-A216 VanDerWaalsContact CG1-CA 3.46Å; V206-A216 HydrophobicContact CG1-CB 3.54Å; V206-H219 HydrophobicContact CG2-CB 3.96Å
207	C	46.2	Very low	59.2	Low	34 Å²	34	79.8 Å²	79.8	23%	0.23	44%	0.438	C	S	.	.	S	Bend	trans	-112.1	-4.5	-144.7	-63.5	0	0	0	0	118.2	P192 Y194 T205	P192-C207 HydrophobicContact CB-CB 3.32Å; P192-C207 WeakPolarHBondContact CB-SG 3.43Å; Y194-C207 PolarHBondContact O-SG 3.37Å; T205-C207 VanDerWaalsContact C-N 3.3Å; T205-C207 PolarHBondContact O-N 2.92Å
208	V	44.4	Very low	59.3	Low	132 Å²	132	83.5 Å²	83.5	80%	0.8	44%	0.443	S	S	*	.	S	Bend	trans	-132.9	109.5	-174.3	-164.1	0	0	0	0	110.8
209	G	43.1	Very low	59.3	Low	41 Å²	41	81.9 Å²	81.9	42%	0.423	44%	0.439	S	S	.	.	S	Bend	trans	116.3	159	164.4	0	0	0	0	0	115.6	N211 A212	G209-N211 PolarHBondContact O-N 2.84Å; G209-A212 WeakPolarHBondContact O-CB 3.39Å; G209-A212 PolarHBondContact O-N 3.17Å
210	F	44.3	Very low	59.6	Low	216 Å²	216	80 Å²	80	95%	0.947	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-30.8	-18.1	-168.8	-67.9	-93.2	0	0	0	120.3
211	N	50.6	Low	60.6	Low	95 Å²	95	71.6 Å²	71.6	51%	0.508	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	22.4	179.5	-65.6	-23.5	0	0	0	113.7	G209 S213 S214 L215	G209-N211 PolarHBondContact O-N 2.84Å; N211-S213 PolarHBondContact O-N 2.82Å; N211-S214 WeakPolarHBondContact O-CB 3.45Å; N211-S214 PolarHBondContact O-N 3Å; N211-L215 PolarHBondContact O-N 3.4Å
212	A	64.5	Low	61.8	Low	10 Å²	10	71.9 Å²	71.9	8%	0.083	40%	0.401	C	S	.	.	H	α-helix	trans	-61.4	-27.5	-175.5	0	0	0	0	0	112.9	Y194 V206 G209 S214 A216	Y194-A212 HydrophobicContact CD2-CB 3.47Å; Y194-A212 VanDerWaalsContact CD2-CB 3.47Å; Y194-A212 HydrophobicContact CE2-CB 3.53Å; V206-A212 WeakPolarHBondContact O-CB 3.34Å; G209-A212 WeakPolarHBondContact O-CB 3.39Å; G209-A212 PolarHBondContact O-N 3.17Å; A212-S214 PolarHBondContact O-N 3.05Å; A212-A216 WeakPolarHBondContact O-CB 3.14Å; A212-A216 PolarHBondContact O-N 2.84Å
213	S	68.2	Low	63.2	Low	29 Å²	29	68 Å²	68	20%	0.203	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-44	168.7	-54.8	0	0	0	0	112.9	Y194 N211 W217	Y194-S213 PolarHBondContact OH-OG 3.17Å; N211-S213 PolarHBondContact O-N 2.82Å; S213-W217 VanDerWaalsContact O-CB 3.24Å; S213-W217 WeakPolarHBondContact O-CB 3.14Å; S213-W217 PolarHBondContact O-N 3.07Å
214	S	72.4	Confident	65.1	Low	35 Å²	35	65 Å²	65	25%	0.245	36%	0.36	C	S	.	.	H	α-helix	trans	-72	-38.9	-178	-43.3	0	0	0	0	111.6	N211 A212 R218 E247	N211-S214 WeakPolarHBondContact O-CB 3.45Å; N211-S214 PolarHBondContact O-N 3Å; A212-S214 PolarHBondContact O-N 3.05Å; S214-R218 WeakPolarHBondContact O-CG 3.5Å; S214-R218 PolarHBondContact O-N 3.11Å; S214-E247 VanDerWaalsContact CA-OE1 3.24Å; S214-E247 WeakPolarHBondContact CA-OE1 3.26Å; S214-E247 WeakPolarHBondContact CB-OE1 3.49Å; S214-E247 PolarHBondContact OG-OE1 3.02Å
215	L	74.1	Confident	67	Low	46 Å²	46	62.7 Å²	62.7	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-48.5	173.1	-80	159.1	0	0	0	110.9	N211 W217 R218 H219	N211-L215 PolarHBondContact O-N 3.4Å; L215-W217 VanDerWaalsContact C-N 3.31Å; L215-W217 PolarHBondContact O-N 3.17Å; L215-R218 PolarHBondContact O-N 3.02Å; L215-H219 PolarHBondContact O-N 3.27Å
216	A	75.8	Confident	68.7	Low	2 Å²	2	61.4 Å²	61.4	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-59.8	-44.5	176.1	0	0	0	0	0	110.9	Y194 V206 A212 R218 H219 L220 V250 L254	Y194-A216 HydrophobicContact CG-CB 4.3Å; V206-A216 VanDerWaalsContact CG1-CA 3.46Å; V206-A216 HydrophobicContact CG1-CB 3.54Å; A212-A216 WeakPolarHBondContact O-CB 3.14Å; A212-A216 PolarHBondContact O-N 2.84Å; A216-R218 PolarHBondContact O-N 2.87Å; A216-H219 PolarHBondContact O-N 3.24Å; A216-L220 WeakPolarHBondContact O-CB 3.32Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.5Å; A216-L220 PolarHBondContact O-N 2.74Å; A216-V250 HydrophobicContact CB-CG2 3.99Å; A216-L254 HydrophobicContact CB-CD1 4.02Å
217	W	81.6	Confident	70.6	Confident	31 Å²	31	62.7 Å²	62.7	12%	0.117	34%	0.344	C	S	.	.	H	α-helix	trans	-59.3	-44.5	176.4	-178.8	-112.5	0	0	0	112.5	S213 L215 L220 L221 L245 E247 V250 L253	S213-W217 VanDerWaalsContact O-CB 3.24Å; S213-W217 WeakPolarHBondContact O-CB 3.14Å; S213-W217 PolarHBondContact O-N 3.07Å; L215-W217 VanDerWaalsContact C-N 3.31Å; L215-W217 PolarHBondContact O-N 3.17Å; W217-L220 PolarHBondContact O-N 3.47Å; W217-L221 HydrophobicContact CD2-CD1 4.32Å; W217-L221 HydrophobicContact CD2-CG 4.34Å; W217-L221 VanDerWaalsContact CE2-CD1 3.48Å; W217-L221 HydrophobicContact CH2-CD2 4.03Å; W217-L221 HydrophobicContact CH2-CG 4.35Å; W217-L221 HydrophobicContact CZ2-CD1 3.63Å; W217-L221 HydrophobicContact CZ2-CD2 3.83Å; W217-L221 HydrophobicContact CZ2-CG 3.86Å; W217-L221 VanDerWaalsContact NE1-CD1 3.31Å; W217-L221 WeakPolarHBondContact O-CG 3.47Å; W217-L221 PolarHBondContact O-N 3.03Å; W217-L245 HydrophobicContact CH2-CB 3.91Å; W217-L245 HydrophobicContact CH2-CD1 4.45Å; W217-L245 HydrophobicContact CZ2-CB 4.22Å; W217-E247 HydrophobicContact CB-CG 4.04Å; W217-E247 HydrophobicContact CG-CB 4.25Å; W217-E247 HydrophobicContact CG-CG 4.01Å; W217-V250 HydrophobicContact CB-CB 4.34Å; W217-V250 HydrophobicContact CB-CG2 4.08Å; W217-V250 HydrophobicContact CE3-CB 3.93Å; W217-V250 HydrophobicContact CE3-CG2 4.2Å; W217-L253 HydrophobicContact CE3-CD1 4.4Å; W217-L253 HydrophobicContact CH2-CD1 4.43Å; W217-L253 HydrophobicContact CZ3-CD1 3.59Å
218	R	78.2	Confident	72.4	Confident	146 Å²	146	61.1 Å²	61.1	55%	0.551	33%	0.333	S	S	*	.	H	α-helix	trans	-62.7	-46	176.2	-79.3	-173.4	-73.8	111.4	-11.1	112.3	S214 L215 A216 L221 S222	S214-R218 WeakPolarHBondContact O-CG 3.5Å; S214-R218 PolarHBondContact O-N 3.11Å; L215-R218 PolarHBondContact O-N 3.02Å; A216-R218 PolarHBondContact O-N 2.87Å; R218-L221 PolarHBondContact O-N 3.18Å; R218-S222 PolarHBondContact O-N 3.19Å; R218-S222 PolarHBondContact O-OG 3.25Å
219	H	79.5	Confident	74.4	Confident	36 Å²	36	58.4 Å²	58.4	17%	0.167	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-46.7	175.7	164.7	68.8	0	0	0	111.8	C196 V206 L215 A216 L221 S222 E223 H224	C196-H219 WeakPolarHBondContact CB-NE2 3.21Å; C196-H219 PolarHBondContact SG-NE2 3.45Å; C196-H219 VanDerWaalsContact SG-NE2 3.41Å; V206-H219 HydrophobicContact CG2-CB 3.96Å; L215-H219 PolarHBondContact O-N 3.27Å; A216-H219 PolarHBondContact O-N 3.24Å; H219-L221 VanDerWaalsContact C-N 3.31Å; H219-L221 PolarHBondContact O-N 2.98Å; H219-S222 PolarHBondContact O-N 3.3Å; H219-S222 PolarHBondContact O-OG 3.25Å; H219-E223 VanDerWaalsContact CE1-CG 3.5Å; H219-E223 WeakPolarHBondContact CE1-CG 3.48Å; H219-E223 VanDerWaalsContact ND1-CG 3.32Å; H219-E223 WeakPolarHBondContact ND1-CG 3.45Å; H219-E223 WeakPolarHBondContact O-CB 3.25Å; H219-E223 PolarHBondContact O-N 3.06Å; H219-H224 AromaticContact CE1-NE2 3.88Å; H219-H224 AromaticContact NE2-CD2 3.74Å; H219-H224 AromaticContact NE2-NE2 3.66Å
220	L	80.3	Confident	76.5	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-42.9	177.8	-75.9	-167.1	0	0	0	111.8	W198 A216 W217 H224 S225 I228 V250 L253 L254	W198-L220 HydrophobicContact CE3-CD2 3.85Å; W198-L220 HydrophobicContact CZ3-CD2 3.65Å; A216-L220 WeakPolarHBondContact O-CB 3.32Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.5Å; A216-L220 PolarHBondContact O-N 2.74Å; W217-L220 PolarHBondContact O-N 3.47Å; L220-H224 CarbonylContact O-C 3.43Å; L220-H224 VanDerWaalsContact O-CA 3.23Å; L220-H224 WeakPolarHBondContact O-CA 3.48Å; L220-H224 VanDerWaalsContact O-CB 3.31Å; L220-H224 WeakPolarHBondContact O-CB 3.19Å; L220-H224 PolarHBondContact O-N 3.48Å; L220-S225 PolarHBondContact O-N 2.94Å; L220-I228 HydrophobicContact CB-CD1 3.86Å; L220-I228 WeakPolarHBondContact O-CD1 3.4Å; L220-V250 HydrophobicContact CD1-CG2 4.06Å; L220-L253 HydrophobicContact CD1-CB 3.87Å; L220-L253 HydrophobicContact CD1-CD1 3.87Å; L220-L254 HydrophobicContact CD1-CD2 3.85Å; L220-L254 HydrophobicContact CD1-CG 4.16Å; L220-L254 HydrophobicContact CD2-CD2 4.17Å; L220-L254 HydrophobicContact CG-CD2 4.3Å
221	L	81	Confident	78.4	Confident	68 Å²	68	55.4 Å²	55.4	36%	0.356	30%	0.298	S	S	.	.	H	α-helix	trans	-72.7	-33.8	177.3	-71.1	-177.7	0	0	0	113.5	W217 R218 H219 S225 I228	W217-L221 HydrophobicContact CD2-CD1 4.32Å; W217-L221 HydrophobicContact CD2-CG 4.34Å; W217-L221 VanDerWaalsContact CE2-CD1 3.48Å; W217-L221 HydrophobicContact CH2-CD2 4.03Å; W217-L221 HydrophobicContact CH2-CG 4.35Å; W217-L221 HydrophobicContact CZ2-CD1 3.63Å; W217-L221 HydrophobicContact CZ2-CD2 3.83Å; W217-L221 HydrophobicContact CZ2-CG 3.86Å; W217-L221 VanDerWaalsContact NE1-CD1 3.31Å; W217-L221 WeakPolarHBondContact O-CG 3.47Å; W217-L221 PolarHBondContact O-N 3.03Å; R218-L221 PolarHBondContact O-N 3.18Å; H219-L221 VanDerWaalsContact C-N 3.31Å; H219-L221 PolarHBondContact O-N 2.98Å; L221-S225 VanDerWaalsContact O-CB 3.25Å; L221-S225 WeakPolarHBondContact O-CB 3.23Å; L221-I228 HydrophobicContact CD2-CD1 4.37Å
222	S	78.8	Confident	80.1	Confident	72 Å²	72	58.6 Å²	58.6	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-75.3	-51.1	179.9	68	0	0	0	0	111.8	R218 H219	R218-S222 PolarHBondContact O-N 3.19Å; R218-S222 PolarHBondContact O-OG 3.25Å; H219-S222 PolarHBondContact O-N 3.3Å; H219-S222 PolarHBondContact O-OG 3.25Å
223	E	79.2	Confident	81.2	Confident	118 Å²	118	58.6 Å²	58.6	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-90.2	-25.4	-171.2	-53.7	-46	127.2	0	0	113	H219	H219-E223 VanDerWaalsContact CE1-CG 3.5Å; H219-E223 WeakPolarHBondContact CE1-CG 3.48Å; H219-E223 VanDerWaalsContact ND1-CG 3.32Å; H219-E223 WeakPolarHBondContact ND1-CG 3.45Å; H219-E223 WeakPolarHBondContact O-CB 3.25Å; H219-E223 PolarHBondContact O-N 3.06Å
224	H	84.9	Confident	82	Confident	15 Å²	15	58 Å²	58	7%	0.069	30%	0.303	C	S	.	.	S	Bend	trans	-130.5	21.4	-168	-57.9	-54.7	0	0	0	113.7	C196 W198 C199 H219 L220 S226 E227 I228	C196-H224 PolarHBondContact SG-CD2 3.11Å; C196-H224 PolarHBondContact SG-NE2 3.34Å; W198-H224 VanDerWaalsContact CB-CE1 3.47Å; W198-H224 WeakPolarHBondContact CB-CE1 3.23Å; W198-H224 HydrophobicContact CD2-CB 4.2Å; W198-H224 HydrophobicContact CE3-CB 3.69Å; W198-H224 AromaticContact CE3-CD2 3.98Å; W198-H224 AromaticContact CE3-CG 3.76Å; W198-H224 HydrophobicContact CZ3-CB 4.15Å; C199-H224 PolarHBondContact SG-CE1 3.32Å; C199-H224 PolarHBondContact SG-NE2 3.05Å; H219-H224 AromaticContact CE1-NE2 3.88Å; H219-H224 AromaticContact NE2-CD2 3.74Å; H219-H224 AromaticContact NE2-NE2 3.66Å; L220-H224 CarbonylContact O-C 3.43Å; L220-H224 VanDerWaalsContact O-CA 3.23Å; L220-H224 WeakPolarHBondContact O-CA 3.48Å; L220-H224 VanDerWaalsContact O-CB 3.31Å; L220-H224 WeakPolarHBondContact O-CB 3.19Å; L220-H224 PolarHBondContact O-N 3.48Å; H224-S226 VanDerWaalsContact C-N 3.3Å; H224-S226 PolarHBondContact O-N 3.24Å; H224-E227 HydrophobicContact CB-CB 4.36Å; H224-E227 PolarHBondContact O-N 3.13Å; H224-I228 HydrophobicContact CB-CD1 4.47Å; H224-I228 WeakPolarHBondContact O-CD1 3.24Å; H224-I228 VanDerWaalsContact O-CG1 3.22Å; H224-I228 WeakPolarHBondContact O-CG1 3.29Å; H224-I228 PolarHBondContact O-N 3.27Å
225	S	84.7	Confident	82.5	Confident	58 Å²	58	60.6 Å²	60.6	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-52.4	-48	176	50	0	0	0	0	112.1	L220 L221 E227 I228 M229	L220-S225 PolarHBondContact O-N 2.94Å; L221-S225 VanDerWaalsContact O-CB 3.25Å; L221-S225 WeakPolarHBondContact O-CB 3.23Å; S225-E227 VanDerWaalsContact C-N 3.33Å; S225-E227 PolarHBondContact O-N 3.19Å; S225-I228 PolarHBondContact O-N 3Å; S225-M229 WeakPolarHBondContact O-CB 3.23Å; S225-M229 WeakPolarHBondContact O-CG 3.41Å; S225-M229 PolarHBondContact O-N 3.15Å
226	S	84.1	Confident	82.8	Confident	79 Å²	79	66 Å²	66	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-59.1	-41.3	179.3	54.4	0	0	0	0	113	H224 M229 K230	H224-S226 VanDerWaalsContact C-N 3.3Å; H224-S226 PolarHBondContact O-N 3.24Å; S226-M229 PolarHBondContact O-N 3.02Å; S226-K230 PolarHBondContact O-N 2.83Å
227	E	86.1	Confident	83.1	Confident	53 Å²	53	66.2 Å²	66.2	25%	0.248	34%	0.34	C	S	.	.	H	α-helix	trans	-70.1	-38.3	178.8	-68.9	-60.9	137.1	0	0	112.7	W198 H224 S225 M229 K230 T233	W198-E227 HydrophobicContact CD2-CB 4.14Å; W198-E227 HydrophobicContact CG-CB 4.37Å; W198-E227 HydrophobicContact CG-CG 4.35Å; W198-E227 HydrophobicContact CZ2-CB 4.04Å; H224-E227 HydrophobicContact CB-CB 4.36Å; H224-E227 PolarHBondContact O-N 3.13Å; S225-E227 VanDerWaalsContact C-N 3.33Å; S225-E227 PolarHBondContact O-N 3.19Å; E227-M229 PolarHBondContact O-N 3.44Å; E227-K230 PolarHBondContact O-N 2.67Å; E227-K230 VanDerWaalsContact OE1-CE 3.31Å; E227-K230 WeakPolarHBondContact OE1-CE 3.4Å; E227-K230 IonicContact OE1-NZ 3.72Å; E227-K230 PolarHBondContact OE1-NZ 2.89Å; E227-K230 VanDerWaalsContact OE2-CE 3.28Å; E227-K230 WeakPolarHBondContact OE2-CE 3.34Å; E227-K230 IonicContact OE2-NZ 2.75Å; E227-K230 PolarHBondContact OE2-NZ 3.24Å; E227-T233 WeakPolarHBondContact O-CB 3.18Å; E227-T233 PolarHBondContact O-OG1 2.94Å
228	I	85	Confident	82.9	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-64.9	-32	175.1	-66.7	163.2	0	0	0	110.8	W198 L220 L221 H224 S225 K230 L234 L245 L253	W198-I228 HydrophobicContact CH2-CG1 3.71Å; W198-I228 HydrophobicContact CZ3-CG1 3.98Å; L220-I228 HydrophobicContact CB-CD1 3.86Å; L220-I228 WeakPolarHBondContact O-CD1 3.4Å; L221-I228 HydrophobicContact CD2-CD1 4.37Å; H224-I228 HydrophobicContact CB-CD1 4.47Å; H224-I228 WeakPolarHBondContact O-CD1 3.24Å; H224-I228 VanDerWaalsContact O-CG1 3.22Å; H224-I228 WeakPolarHBondContact O-CG1 3.29Å; H224-I228 PolarHBondContact O-N 3.27Å; S225-I228 PolarHBondContact O-N 3Å; I228-K230 VanDerWaalsContact C-N 3.32Å; I228-L234 WeakPolarHBondContact O-CD2 3.36Å; I228-L234 WeakPolarHBondContact O-CG 3.08Å; I228-L245 HydrophobicContact CG2-CD1 3.67Å; I228-L245 HydrophobicContact CG2-CD2 4.43Å; I228-L253 HydrophobicContact CD1-CD1 4.12Å; I228-L253 HydrophobicContact CG1-CD1 4.11Å; I228-L253 HydrophobicContact CG1-CD2 4.42Å; I228-L253 HydrophobicContact CG2-CD1 4.24Å; I228-L253 HydrophobicContact CG2-CD2 4.41Å
229	M	85.9	Confident	83	Confident	74 Å²	74	64.2 Å²	64.2	37%	0.365	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.3	-175.3	-66.4	-74.8	-96.4	0	0	113.7	S225 S226 E227 E242	S225-M229 WeakPolarHBondContact O-CB 3.23Å; S225-M229 WeakPolarHBondContact O-CG 3.41Å; S225-M229 PolarHBondContact O-N 3.15Å; S226-M229 PolarHBondContact O-N 3.02Å; E227-M229 PolarHBondContact O-N 3.44Å; M229-E242 HydrophobicContact CE-CB 3.55Å; M229-E242 HydrophobicContact CE-CG 3.57Å; M229-E242 WeakPolarHBondContact CE-OE2 3.21Å; M229-E242 HydrophobicContact SD-CB 3.49Å; M229-E242 WeakPolarHBondContact SD-CB 3.46Å; M229-E242 HydrophobicContact SD-CG 3.55Å; M229-E242 VanDerWaalsContact SD-CG 3.55Å
230	K	86.5	Confident	82.7	Confident	89 Å²	89	68.9 Å²	68.9	39%	0.387	38%	0.383	S	S	.	.	S	Bend	trans	-59	134.3	172.7	-69.6	-179.5	179.5	170.4	0	110.1	S226 E227 I228 E232 T233 L234	S226-K230 PolarHBondContact O-N 2.83Å; E227-K230 PolarHBondContact O-N 2.67Å; E227-K230 VanDerWaalsContact OE1-CE 3.31Å; E227-K230 WeakPolarHBondContact OE1-CE 3.4Å; E227-K230 IonicContact OE1-NZ 3.72Å; E227-K230 PolarHBondContact OE1-NZ 2.89Å; E227-K230 VanDerWaalsContact OE2-CE 3.28Å; E227-K230 WeakPolarHBondContact OE2-CE 3.34Å; E227-K230 IonicContact OE2-NZ 2.75Å; E227-K230 PolarHBondContact OE2-NZ 3.24Å; I228-K230 VanDerWaalsContact C-N 3.32Å; K230-E232 PolarHBondContact O-N 3.31Å; K230-E232 VanDerWaalsContact O-N 3.16Å; K230-T233 PolarHBondContact O-N 3.42Å; K230-L234 PolarHBondContact O-N 3.23Å
231	P	84.5	Confident	82.4	Confident	105 Å²	105	71 Å²	71	68%	0.682	40%	0.398	S	S	*	.	H	α-helix	trans	-54.2	-37.5	-178.7	-27.2	34.1	0	0	0	113.3	L234 S235	P231-L234 PolarHBondContact O-N 2.91Å; P231-S235 VanDerWaalsContact O-CB 3.24Å; P231-S235 WeakPolarHBondContact O-CB 3.01Å; P231-S235 PolarHBondContact O-N 3.37Å
232	E	87.6	Confident	81.8	Confident	162 Å²	162	73.6 Å²	73.6	76%	0.757	41%	0.408	S	S	*	.	H	α-helix	trans	-62.2	-45.8	176.8	-64.2	168.9	-157.1	0	0	112.1	K230 S235 R236	K230-E232 PolarHBondContact O-N 3.31Å; K230-E232 VanDerWaalsContact O-N 3.16Å; E232-S235 PolarHBondContact O-N 3.02Å; E232-R236 WeakPolarHBondContact O-CB 3.37Å; E232-R236 PolarHBondContact O-N 3.38Å
233	T	87	Confident	81.2	Confident	11 Å²	11	74.7 Å²	74.7	7%	0.067	40%	0.404	C	S	.	.	H	α-helix	trans	-64.4	-46.9	178.2	-54	0	0	0	0	110.8	W198 E227 K230 S235 R236 I237 L253	W198-T233 HydrophobicContact CH2-CG2 4.37Å; W198-T233 HydrophobicContact CZ2-CG2 4.13Å; E227-T233 WeakPolarHBondContact O-CB 3.18Å; E227-T233 PolarHBondContact O-OG1 2.94Å; K230-T233 PolarHBondContact O-N 3.42Å; T233-S235 PolarHBondContact O-N 3.21Å; T233-R236 PolarHBondContact O-N 3.16Å; T233-I237 WeakPolarHBondContact O-CG1 3.42Å; T233-I237 PolarHBondContact O-N 3.39Å; T233-L253 HydrophobicContact CG2-CD2 3.79Å
234	L	84.1	Confident	80.7	Confident	15 Å²	15	70.8 Å²	70.8	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-59	-47	176.8	-70	178.7	0	0	0	111	I228 K230 P231 R236 I237 G238 R239 L245	I228-L234 WeakPolarHBondContact O-CD2 3.36Å; I228-L234 WeakPolarHBondContact O-CG 3.08Å; K230-L234 PolarHBondContact O-N 3.23Å; P231-L234 PolarHBondContact O-N 2.91Å; L234-R236 PolarHBondContact O-N 2.61Å; L234-I237 VanDerWaalsContact O-CG1 3.25Å; L234-I237 WeakPolarHBondContact O-CG1 3.43Å; L234-I237 PolarHBondContact O-N 3.04Å; L234-G238 PolarHBondContact O-N 2.98Å; L234-R239 CarbonylContact C-O 3.57Å; L234-R239 WeakPolarHBondContact CB-O 3.45Å; L234-R239 HydrophobicContact CD2-CB 4.27Å; L234-R239 CarbonylContact O-C 3.42Å; L234-R239 PolarHBondContact O-N 3.06Å; L234-L245 HydrophobicContact CD2-CD1 4.41Å; L234-L245 HydrophobicContact CD2-CD2 4.09Å; L234-L245 HydrophobicContact CD2-CG 4.45Å
235	S	82.7	Confident	80.4	Confident	91 Å²	91	71.2 Å²	71.2	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-57.8	-47.4	176.8	-173.7	0	0	0	0	111.6	P231 E232 T233 I237 G238	P231-S235 VanDerWaalsContact O-CB 3.24Å; P231-S235 WeakPolarHBondContact O-CB 3.01Å; P231-S235 PolarHBondContact O-N 3.37Å; E232-S235 PolarHBondContact O-N 3.02Å; T233-S235 PolarHBondContact O-N 3.21Å; S235-I237 VanDerWaalsContact C-N 3.26Å; S235-I237 PolarHBondContact O-N 3.22Å; S235-G238 PolarHBondContact O-N 2.53Å
236	R	81.4	Confident	80	Confident	160 Å²	160	70.1 Å²	70.1	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-57.7	-35.1	179.1	-173.8	174.9	70.4	-153.8	2.1	113.4	E232 T233 L234 G238	E232-R236 WeakPolarHBondContact O-CB 3.37Å; E232-R236 PolarHBondContact O-N 3.38Å; T233-R236 PolarHBondContact O-N 3.16Å; L234-R236 PolarHBondContact O-N 2.61Å; R236-G238 VanDerWaalsContact C-N 3.34Å
237	I	81.3	Confident	79.5	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	6.7	177.5	64.5	165.2	0	0	0	113.8	T233 L234 S235 R239 L245 D249 R252 L253	T233-I237 WeakPolarHBondContact O-CG1 3.42Å; T233-I237 PolarHBondContact O-N 3.39Å; L234-I237 VanDerWaalsContact O-CG1 3.25Å; L234-I237 WeakPolarHBondContact O-CG1 3.43Å; L234-I237 PolarHBondContact O-N 3.04Å; S235-I237 VanDerWaalsContact C-N 3.26Å; S235-I237 PolarHBondContact O-N 3.22Å; I237-R239 HydrophobicContact CD1-CB 4.07Å; I237-R239 HydrophobicContact CD1-CG 3.67Å; I237-R239 HydrophobicContact CG1-CB 3.96Å; I237-R239 HydrophobicContact CG1-CG 3.74Å; I237-L245 HydrophobicContact CD1-CD2 3.5Å; I237-L245 VanDerWaalsContact CD1-CD2 3.5Å; I237-D249 HydrophobicContact CD1-CB 4.45Å; I237-R252 HydrophobicContact CB-CB 4.08Å; I237-R252 HydrophobicContact CG2-CB 3.71Å; I237-L253 HydrophobicContact CD1-CD2 3.84Å; I237-L253 HydrophobicContact CD1-CG 4.24Å; I237-L253 HydrophobicContact CG2-CD2 3.78Å; I237-L253 HydrophobicContact CG2-CG 4.25Å
238	G	79.1	Confident	78.8	Confident	65 Å²	65	78.1 Å²	78.1	67%	0.67	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	32.3	-179.7	0	0	0	0	0	113.4	L234 S235 R236	L234-G238 PolarHBondContact O-N 2.98Å; S235-G238 PolarHBondContact O-N 2.53Å; R236-G238 VanDerWaalsContact C-N 3.34Å
239	R	80.3	Confident	78.6	Confident	70 Å²	70	78 Å²	78	26%	0.264	40%	0.404	S	S	.	.			trans	-119.1	150.4	179.8	-60.2	-59	-175.2	168.7	9.5	110.2	L234 I237 S244 L245 D249	L234-R239 CarbonylContact C-O 3.57Å; L234-R239 WeakPolarHBondContact CB-O 3.45Å; L234-R239 HydrophobicContact CD2-CB 4.27Å; L234-R239 CarbonylContact O-C 3.42Å; L234-R239 PolarHBondContact O-N 3.06Å; I237-R239 HydrophobicContact CD1-CB 4.07Å; I237-R239 HydrophobicContact CD1-CG 3.67Å; I237-R239 HydrophobicContact CG1-CB 3.96Å; I237-R239 HydrophobicContact CG1-CG 3.74Å; R239-S244 PolarHBondContact NH1-O 3Å; R239-L245 HydrophobicContact CB-CD2 4.41Å; R239-L245 HydrophobicContact CG-CD2 4.18Å; R239-D249 IonicContact CZ-OD1 3.45Å; R239-D249 IonicContact CZ-OD2 3.99Å; R239-D249 IonicContact NE-OD1 3.33Å; R239-D249 PolarHBondContact NE-OD1 3.44Å; R239-D249 VanDerWaalsContact NE-OD1 3.08Å; R239-D249 IonicContact NE-OD2 2.87Å; R239-D249 PolarHBondContact NE-OD2 2.78Å; R239-D249 VanDerWaalsContact NH2-CG 3.31Å; R239-D249 IonicContact NH2-OD1 2.94Å; R239-D249 PolarHBondContact NH2-OD1 3.48Å; R239-D249 IonicContact NH2-OD2 3.16Å; R239-D249 PolarHBondContact NH2-OD2 2.93Å
240	V	73	Confident	78.4	Confident	134 Å²	134	74.6 Å²	74.6	81%	0.812	39%	0.388	S	S	*	.	S	Bend	trans	-114.5	-14.4	-176.4	-64.7	0	0	0	0	113
241	S	73.2	Confident	78.1	Confident	46 Å²	46	71.2 Å²	71.2	32%	0.322	37%	0.374	S	S	.	.	S	Bend	trans	-160.1	158.4	179.2	64	0	0	0	0	111.5	K243 S244	S241-K243 PolarHBondContact O-N 3.16Å; S241-K243 VanDerWaalsContact O-N 3.12Å; S241-S244 PolarHBondContact O-N 3.03Å; S241-S244 PolarHBondContact O-OG 3.43Å
242	E	68.2	Low	78.1	Confident	121 Å²	121	69.2 Å²	69.2	57%	0.565	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-47.1	-40	171.5	-164.4	-176	175.8	0	0	112.8	M229 S244 L245	M229-E242 HydrophobicContact CE-CB 3.55Å; M229-E242 HydrophobicContact CE-CG 3.57Å; M229-E242 WeakPolarHBondContact CE-OE2 3.21Å; M229-E242 HydrophobicContact SD-CB 3.49Å; M229-E242 WeakPolarHBondContact SD-CB 3.46Å; M229-E242 HydrophobicContact SD-CG 3.55Å; M229-E242 VanDerWaalsContact SD-CG 3.55Å; E242-S244 PolarHBondContact O-N 3.01Å; E242-L245 HydrophobicContact CG-CD1 4.4Å; E242-L245 VanDerWaalsContact O-CB 3.31Å; E242-L245 WeakPolarHBondContact O-CB 3.37Å; E242-L245 PolarHBondContact O-N 2.91Å
243	K	65.8	Low	77.8	Confident	95 Å²	95	61.6 Å²	61.6	41%	0.413	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.6	-175.5	-63.9	179.8	174.2	175.1	0	113.2	R53 K54 S241	R53-K243 VanDerWaalsContact O-CE 3.29Å; R53-K243 WeakPolarHBondContact O-CE 3.39Å; R53-K243 PolarHBondContact O-NZ 3.21Å; K54-K243 HydrophobicContact CG-CB 4.5Å; K54-K243 HydrophobicContact CG-CD 4.21Å; K54-K243 HydrophobicContact CG-CG 4.06Å; K54-K243 PolarHBondContact NZ-O 2.79Å; S241-K243 PolarHBondContact O-N 3.16Å; S241-K243 VanDerWaalsContact O-N 3.12Å
244	S	70.4	Confident	77.5	Confident	37 Å²	37	62 Å²	62	26%	0.259	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-92.5	-10.1	-179.5	69.9	0	0	0	0	114	R239 S241 E242	R239-S244 PolarHBondContact NH1-O 3Å; S241-S244 PolarHBondContact O-N 3.03Å; S241-S244 PolarHBondContact O-OG 3.43Å; E242-S244 PolarHBondContact O-N 3.01Å
245	L	77.5	Confident	77.4	Confident	23 Å²	23	63.6 Å²	63.6	12%	0.12	34%	0.34	C	S	.	.			trans	-67.5	139.2	178.2	-66.2	174.3	0	0	0	111	W217 I228 L234 I237 R239 E242	W217-L245 HydrophobicContact CH2-CB 3.91Å; W217-L245 HydrophobicContact CH2-CD1 4.45Å; W217-L245 HydrophobicContact CZ2-CB 4.22Å; I228-L245 HydrophobicContact CG2-CD1 3.67Å; I228-L245 HydrophobicContact CG2-CD2 4.43Å; L234-L245 HydrophobicContact CD2-CD1 4.41Å; L234-L245 HydrophobicContact CD2-CD2 4.09Å; L234-L245 HydrophobicContact CD2-CG 4.45Å; I237-L245 HydrophobicContact CD1-CD2 3.5Å; I237-L245 VanDerWaalsContact CD1-CD2 3.5Å; R239-L245 HydrophobicContact CB-CD2 4.41Å; R239-L245 HydrophobicContact CG-CD2 4.18Å; E242-L245 HydrophobicContact CG-CD1 4.4Å; E242-L245 VanDerWaalsContact O-CB 3.31Å; E242-L245 WeakPolarHBondContact O-CB 3.37Å; E242-L245 PolarHBondContact O-N 2.91Å
246	S	76.7	Confident	77.5	Confident	35 Å²	35	59.4 Å²	59.4	25%	0.245	31%	0.31	C	S	.	.			trans	-136.9	158.9	177.2	66.2	0	0	0	0	109.8	R248 D249	S246-R248 PolarHBondContact O-N 3.32Å; S246-D249 PolarHBondContact N-OD2 3.17Å; S246-D249 VanDerWaalsContact O-CB 3.32Å; S246-D249 WeakPolarHBondContact O-CB 3.36Å; S246-D249 PolarHBondContact O-N 2.97Å; S246-D249 PolarHBondContact OG-OD2 3.47Å
247	E	72.8	Confident	77.7	Confident	91 Å²	91	53.1 Å²	53.1	43%	0.425	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55	-26.6	174.2	-170.4	-177.1	164.6	0	0	112.5	S214 W217 D249 V250	S214-E247 VanDerWaalsContact CA-OE1 3.24Å; S214-E247 WeakPolarHBondContact CA-OE1 3.26Å; S214-E247 WeakPolarHBondContact CB-OE1 3.49Å; S214-E247 PolarHBondContact OG-OE1 3.02Å; W217-E247 HydrophobicContact CB-CG 4.04Å; W217-E247 HydrophobicContact CG-CB 4.25Å; W217-E247 HydrophobicContact CG-CG 4.01Å; E247-D249 PolarHBondContact O-N 2.64Å; E247-V250 VanDerWaalsContact O-CB 3.25Å; E247-V250 WeakPolarHBondContact O-CB 3.49Å; E247-V250 WeakPolarHBondContact O-CG1 3.5Å; E247-V250 PolarHBondContact O-N 3.3Å
248	R	71.7	Confident	77.9	Confident	209 Å²	209	54.3 Å²	54.3	79%	0.789	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.4	-19.5	174.3	-76.9	179.6	-104.2	163.8	-6.2	113.9	S246	S246-R248 PolarHBondContact O-N 3.32Å
249	D	80.3	Confident	78	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-79.4	-10.5	177.2	-58.8	-58.7	0	0	0	112.2	I237 R239 S246 E247 T251 R252 L253	I237-D249 HydrophobicContact CD1-CB 4.45Å; R239-D249 IonicContact CZ-OD1 3.45Å; R239-D249 IonicContact CZ-OD2 3.99Å; R239-D249 IonicContact NE-OD1 3.33Å; R239-D249 PolarHBondContact NE-OD1 3.44Å; R239-D249 VanDerWaalsContact NE-OD1 3.08Å; R239-D249 IonicContact NE-OD2 2.87Å; R239-D249 PolarHBondContact NE-OD2 2.78Å; R239-D249 VanDerWaalsContact NH2-CG 3.31Å; R239-D249 IonicContact NH2-OD1 2.94Å; R239-D249 PolarHBondContact NH2-OD1 3.48Å; R239-D249 IonicContact NH2-OD2 3.16Å; R239-D249 PolarHBondContact NH2-OD2 2.93Å; S246-D249 PolarHBondContact N-OD2 3.17Å; S246-D249 VanDerWaalsContact O-CB 3.32Å; S246-D249 WeakPolarHBondContact O-CB 3.36Å; S246-D249 PolarHBondContact O-N 2.97Å; S246-D249 PolarHBondContact OG-OD2 3.47Å; E247-D249 PolarHBondContact O-N 2.64Å; D249-T251 VanDerWaalsContact C-N 3.25Å; D249-T251 PolarHBondContact O-N 3.41Å; D249-R252 WeakPolarHBondContact O-CB 3.48Å; D249-R252 PolarHBondContact O-N 3.3Å; D249-R252 IonicContact OD1-CZ 3.49Å; D249-R252 IonicContact OD1-NH1 3.4Å; D249-R252 PolarHBondContact OD1-NH1 2.75Å; D249-L253 PolarHBondContact O-N 2.92Å
250	V	81.5	Confident	78.1	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-54.2	-41.8	177.9	77.3	0	0	0	0	111.8	A216 W217 L220 E247 R252 L253 L254	A216-V250 HydrophobicContact CB-CG2 3.99Å; W217-V250 HydrophobicContact CB-CB 4.34Å; W217-V250 HydrophobicContact CB-CG2 4.08Å; W217-V250 HydrophobicContact CE3-CB 3.93Å; W217-V250 HydrophobicContact CE3-CG2 4.2Å; L220-V250 HydrophobicContact CD1-CG2 4.06Å; E247-V250 VanDerWaalsContact O-CB 3.25Å; E247-V250 WeakPolarHBondContact O-CB 3.49Å; E247-V250 WeakPolarHBondContact O-CG1 3.5Å; E247-V250 PolarHBondContact O-N 3.3Å; V250-R252 VanDerWaalsContact C-N 3.26Å; V250-R252 PolarHBondContact O-N 3.19Å; V250-L253 PolarHBondContact O-N 2.8Å; V250-L254 HydrophobicContact CG2-CD1 3.77Å; V250-L254 HydrophobicContact CG2-CG 4.23Å; V250-L254 WeakPolarHBondContact O-CB 3.37Å; V250-L254 WeakPolarHBondContact O-CG 3.37Å; V250-L254 PolarHBondContact O-N 2.98Å
251	T	81.5	Confident	78.4	Confident	17 Å²	17	53.2 Å²	53.2	10%	0.104	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-27.3	-179.2	57.3	0	0	0	0	112.5	L175 D249 I256 Y257	L175-T251 HydrophobicContact CD2-CG2 4.42Å; D249-T251 VanDerWaalsContact C-N 3.25Å; D249-T251 PolarHBondContact O-N 3.41Å; T251-I256 PolarHBondContact O-N 3.42Å; T251-Y257 PolarHBondContact O-N 3.2Å
252	R	83.4	Confident	78.7	Confident	63 Å²	63	52.6 Å²	52.6	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-75.7	-46.1	174.3	-67.3	178.8	-177.9	103.7	6.1	110.8	I237 D249 V250 L254 G255 Y257 P259	I237-R252 HydrophobicContact CB-CB 4.08Å; I237-R252 HydrophobicContact CG2-CB 3.71Å; D249-R252 WeakPolarHBondContact O-CB 3.48Å; D249-R252 PolarHBondContact O-N 3.3Å; D249-R252 IonicContact OD1-CZ 3.49Å; D249-R252 IonicContact OD1-NH1 3.4Å; D249-R252 PolarHBondContact OD1-NH1 2.75Å; V250-R252 VanDerWaalsContact C-N 3.26Å; V250-R252 PolarHBondContact O-N 3.19Å; R252-L254 VanDerWaalsContact C-N 3.28Å; R252-L254 PolarHBondContact O-N 3.28Å; R252-G255 PolarHBondContact O-N 3.02Å; R252-Y257 HydrophobicContact CG-CD1 3.73Å; R252-Y257 HydrophobicContact CG-CE1 4.35Å; R252-P259 HydrophobicContact CG-CG 4.16Å
253	L	82.6	Confident	78.8	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-40.8	178.2	-73.9	177.3	0	0	0	111.8	W198 W217 L220 I228 T233 I237 D249 V250 G255	W198-L253 HydrophobicContact CH2-CD2 4.24Å; W217-L253 HydrophobicContact CE3-CD1 4.4Å; W217-L253 HydrophobicContact CH2-CD1 4.43Å; W217-L253 HydrophobicContact CZ3-CD1 3.59Å; L220-L253 HydrophobicContact CD1-CB 3.87Å; L220-L253 HydrophobicContact CD1-CD1 3.87Å; I228-L253 HydrophobicContact CD1-CD1 4.12Å; I228-L253 HydrophobicContact CG1-CD1 4.11Å; I228-L253 HydrophobicContact CG1-CD2 4.42Å; I228-L253 HydrophobicContact CG2-CD1 4.24Å; I228-L253 HydrophobicContact CG2-CD2 4.41Å; T233-L253 HydrophobicContact CG2-CD2 3.79Å; I237-L253 HydrophobicContact CD1-CD2 3.84Å; I237-L253 HydrophobicContact CD1-CG 4.24Å; I237-L253 HydrophobicContact CG2-CD2 3.78Å; I237-L253 HydrophobicContact CG2-CG 4.25Å; D249-L253 PolarHBondContact O-N 2.92Å; V250-L253 PolarHBondContact O-N 2.8Å; L253-G255 PolarHBondContact O-N 3.4Å
254	L	80.6	Confident	78.8	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.094	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.2	178.2	-61.6	177	0	0	0	113.6	Y194 V195 A216 L220 V250 R252 I256	Y194-L254 HydrophobicContact CD1-CD1 3.31Å; Y194-L254 HydrophobicContact CE1-CD1 4.18Å; Y194-L254 HydrophobicContact CG-CD1 3.96Å; V195-L254 WeakPolarHBondContact O-CD2 3.44Å; A216-L254 HydrophobicContact CB-CD1 4.02Å; L220-L254 HydrophobicContact CD1-CD2 3.85Å; L220-L254 HydrophobicContact CD1-CG 4.16Å; L220-L254 HydrophobicContact CD2-CD2 4.17Å; L220-L254 HydrophobicContact CG-CD2 4.3Å; V250-L254 HydrophobicContact CG2-CD1 3.77Å; V250-L254 HydrophobicContact CG2-CG 4.23Å; V250-L254 WeakPolarHBondContact O-CB 3.37Å; V250-L254 WeakPolarHBondContact O-CG 3.37Å; V250-L254 PolarHBondContact O-N 2.98Å; R252-L254 VanDerWaalsContact C-N 3.28Å; R252-L254 PolarHBondContact O-N 3.28Å; L254-I256 HydrophobicContact CB-CD1 3.89Å; L254-I256 HydrophobicContact CB-CG1 4.18Å; L254-I256 HydrophobicContact CD1-CD1 4.26Å; L254-I256 PolarHBondContact O-N 3.34Å; L254-I256 VanDerWaalsContact O-N 3.1Å
255	G	82.1	Confident	78	Confident	50 Å²	50	55.4 Å²	55.4	52%	0.515	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	4.1	-179.7	0	0	0	0	0	115.1	R252 L253	R252-G255 PolarHBondContact O-N 3.02Å; L253-G255 PolarHBondContact O-N 3.4Å
256	I	83.4	Confident	76.7	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.015	29%	0.286	C	S	.	.	S	Bend	trans	-75.7	-27	-179	-65.8	165	0	0	0	111.2	Y163 L164 L175 L178 L193 Y194 T251 L254	Y163-I256 CarbonylContact C-O 3.59Å; Y163-I256 WeakPolarHBondContact CA-O 3.38Å; L164-I256 PolarHBondContact N-O 3.23Å; L175-I256 HydrophobicContact CD1-CG2 4.46Å; L178-I256 HydrophobicContact CD2-CG2 3.29Å; L193-I256 WeakPolarHBondContact O-CD1 3.29Å; Y194-I256 HydrophobicContact CD1-CD1 3.39Å; Y194-I256 HydrophobicContact CE1-CD1 3.78Å; Y194-I256 HydrophobicContact CG-CD1 4.41Å; T251-I256 PolarHBondContact O-N 3.42Å; L254-I256 HydrophobicContact CB-CD1 3.89Å; L254-I256 HydrophobicContact CB-CG1 4.18Å; L254-I256 HydrophobicContact CD1-CD1 4.26Å; L254-I256 PolarHBondContact O-N 3.34Å; L254-I256 VanDerWaalsContact O-N 3.1Å
257	Y	87.1	Confident	75.2	Confident	28 Å²	28	58 Å²	58	11%	0.11	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-120.8	124.1	179.3	173.4	-100.9	0	0	0	111.1	P162 Y163 T251 R252 P259 D262	P162-Y257 HydrophobicContact CB-CD2 3.85Å; P162-Y257 HydrophobicContact CB-CE2 3.68Å; P162-Y257 HydrophobicContact CG-CD2 4.2Å; P162-Y257 HydrophobicContact CG-CE2 3.87Å; P162-Y257 WeakPolarHBondContact O-CA 3.23Å; Y163-Y257 AromaticContact CD1-CD2 3.88Å; Y163-Y257 HydrophobicContact CD1-CD2 3.88Å; Y163-Y257 HydrophobicContact CD1-CG 4.45Å; Y163-Y257 AromaticContact CE1-CD2 3.44Å; Y163-Y257 HydrophobicContact CE1-CD2 3.44Å; Y163-Y257 VanDerWaalsContact CE1-CD2 3.44Å; Y163-Y257 HydrophobicContact CE1-CE2 4.29Å; Y163-Y257 HydrophobicContact CE1-CG 4.07Å; Y163-Y257 HydrophobicContact CE2-CD2 4.21Å; Y163-Y257 HydrophobicContact CE2-CE2 4.45Å; Y163-Y257 HydrophobicContact CG-CD2 4.43Å; Y163-Y257 AromaticContact CZ-CD2 3.63Å; T251-Y257 PolarHBondContact O-N 3.2Å; R252-Y257 HydrophobicContact CG-CD1 3.73Å; R252-Y257 HydrophobicContact CG-CE1 4.35Å; Y257-P259 HydrophobicContact CD1-CG 4.17Å; Y257-P259 HydrophobicContact CE1-CB 4.21Å; Y257-P259 HydrophobicContact CE1-CG 3.88Å; Y257-P259 WeakPolarHBondContact O-CD 3.33Å; Y257-D262 HydrophobicContact CE2-CB 4.03Å; Y257-D262 WeakPolarHBondContact CE2-OD2 3.34Å; Y257-D262 WeakPolarHBondContact OH-CB 3.39Å; Y257-D262 PolarHBondContact OH-OD2 2.89Å
258	C	85.8	Confident	74.1	Confident	31 Å²	31	60.7 Å²	60.7	21%	0.209	32%	0.319	C	S	.	.			trans	-103.6	108.9	177.7	-177.1	0	0	0	0	110.2	P162 E260 I261 D262	P162-C258 WeakPolarHBondContact CB-O 3.39Å; P162-C258 PolarHBondContact O-N 2.95Å; C258-E260 VanDerWaalsContact C-N 3.29Å; C258-E260 PolarHBondContact O-N 2.91Å; C258-I261 HydrophobicContact CB-CD1 3.99Å; C258-I261 HydrophobicContact CB-CG1 4.34Å; C258-D262 PolarHBondContact O-N 3.44Å
259	P	80.2	Confident	73.1	Confident	41 Å²	41	56.4 Å²	56.4	27%	0.266	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-30.7	179.2	-20.2	32.6	0	0	0	113.3	R252 Y257 I261 D262 S263	R252-P259 HydrophobicContact CG-CG 4.16Å; Y257-P259 HydrophobicContact CD1-CG 4.17Å; Y257-P259 HydrophobicContact CE1-CB 4.21Å; Y257-P259 HydrophobicContact CE1-CG 3.88Å; Y257-P259 WeakPolarHBondContact O-CD 3.33Å; P259-I261 VanDerWaalsContact C-N 3.32Å; P259-I261 PolarHBondContact O-N 3.46Å; P259-D262 CarbonylContact O-C 3.45Å; P259-D262 PolarHBondContact O-N 3.4Å; P259-D262 VanDerWaalsContact O-N 3.12Å; P259-S263 WeakPolarHBondContact O-CB 3.19Å; P259-S263 PolarHBondContact O-N 3.36Å; P259-S263 PolarHBondContact O-OG 3.42Å
260	E	81.8	Confident	71.9	Confident	159 Å²	159	58.1 Å²	58.1	74%	0.743	32%	0.321	S	S	*	.	H	α-helix	trans	-61.2	-42.3	-178.6	-64	175.8	177.1	0	0	111.5	C258 S263 T264	C258-E260 VanDerWaalsContact C-N 3.29Å; C258-E260 PolarHBondContact O-N 2.91Å; E260-S263 PolarHBondContact O-N 3.31Å; E260-T264 PolarHBondContact O-N 3.01Å
261	I	80.9	Confident	70.4	Confident	46 Å²	46	60.7 Å²	60.7	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-71.1	-30.4	175.5	-60.5	169.4	0	0	0	111.7	A160 P162 C258 P259 S263 T264	A160-I261 HydrophobicContact CB-CG2 4.37Å; A160-I261 VanDerWaalsContact CB-O 3.27Å; A160-I261 WeakPolarHBondContact CB-O 3.47Å; P162-I261 HydrophobicContact CB-CB 4.31Å; P162-I261 HydrophobicContact CB-CG2 4.33Å; C258-I261 HydrophobicContact CB-CD1 3.99Å; C258-I261 HydrophobicContact CB-CG1 4.34Å; P259-I261 VanDerWaalsContact C-N 3.32Å; P259-I261 PolarHBondContact O-N 3.46Å; I261-S263 VanDerWaalsContact C-N 3.35Å; I261-T264 PolarHBondContact O-OG1 2.85Å
262	D	79.1	Confident	68.9	Low	33 Å²	33	63 Å²	63	18%	0.176	36%	0.356	C	S	.	.	H	α-helix	trans	-78.1	-26.7	175.1	-154.8	19.3	0	0	0	111.6	R155 P162 Y257 C258 P259 T264	R155-D262 IonicContact CZ-OD1 3.58Å; R155-D262 IonicContact CZ-OD2 3.94Å; R155-D262 IonicContact NE-OD1 3.51Å; R155-D262 PolarHBondContact NE-OD1 3.01Å; R155-D262 IonicContact NE-OD2 3.39Å; R155-D262 IonicContact NH2-OD1 3.24Å; R155-D262 PolarHBondContact NH2-OD1 3.48Å; R155-D262 IonicContact NH2-OD2 2.77Å; R155-D262 PolarHBondContact NH2-OD2 3.35Å; P162-D262 HydrophobicContact CB-CB 3.84Å; P162-D262 HydrophobicContact CG-CB 4.06Å; Y257-D262 HydrophobicContact CE2-CB 4.03Å; Y257-D262 WeakPolarHBondContact CE2-OD2 3.34Å; Y257-D262 WeakPolarHBondContact OH-CB 3.39Å; Y257-D262 PolarHBondContact OH-OD2 2.89Å; C258-D262 PolarHBondContact O-N 3.44Å; P259-D262 CarbonylContact O-C 3.45Å; P259-D262 PolarHBondContact O-N 3.4Å; P259-D262 VanDerWaalsContact O-N 3.12Å; D262-T264 VanDerWaalsContact C-N 3.34Å
263	S	70.4	Confident	67.1	Low	84 Å²	84	68.6 Å²	68.6	59%	0.587	38%	0.377	S	S	*	.	S	Bend	trans	-82.6	-6.2	177.8	-70	0	0	0	0	113.5	P259 E260 I261 Q265	P259-S263 WeakPolarHBondContact O-CB 3.19Å; P259-S263 PolarHBondContact O-N 3.36Å; P259-S263 PolarHBondContact O-OG 3.42Å; E260-S263 PolarHBondContact O-N 3.31Å; I261-S263 VanDerWaalsContact C-N 3.35Å; S263-Q265 PolarHBondContact O-N 3.48Å
264	T	65.1	Low	65.2	Low	71 Å²	71	72.3 Å²	72.3	44%	0.436	39%	0.394	S	S	.	.			trans	-63.8	90.3	166.4	55.1	0	0	0	0	107.5	A158 E260 I261 D262	A158-T264 WeakPolarHBondContact CB-O 3.38Å; E260-T264 PolarHBondContact O-N 3.01Å; I261-T264 PolarHBondContact O-OG1 2.85Å; D262-T264 VanDerWaalsContact C-N 3.34Å
265	Q	53.2	Low	63.3	Low	157 Å²	157	76.4 Å²	76.4	73%	0.734	42%	0.422	S	S	*	.			trans	-67.3	133.8	177.7	-65.2	-171.8	-11.4	0	0	107.7	S263	S263-Q265 PolarHBondContact O-N 3.48Å
266	P	50.2	Low	61.2	Low	10 Å²	10	77.7 Å²	77.7	7%	0.065	42%	0.423	C	S	.	.			trans	-51.1	141.5	146.9	-17.8	31.8	0	0	0	108.3	Y139 H157 A158 E268 I270	Y139-P266 HydrophobicContact CD2-CB 4.18Å; Y139-P266 HydrophobicContact CE1-CB 4.45Å; Y139-P266 HydrophobicContact CE2-CB 3.27Å; Y139-P266 HydrophobicContact CE2-CG 4.15Å; Y139-P266 VanDerWaalsContact CZ-CB 3.43Å; Y139-P266 WeakPolarHBondContact OH-CB 3.46Å; H157-P266 HydrophobicContact CB-CG 4.26Å; A158-P266 HydrophobicContact CB-CG 4.08Å; P266-E268 PolarHBondContact O-N 3.35Å; P266-I270 HydrophobicContact CG-CD1 3.99Å; P266-I270 HydrophobicContact CG-CG1 4.31Å
267	P	46.1	Very low	59.2	Low	103 Å²	103	83.7 Å²	83.7	67%	0.669	46%	0.459	S	S	*	.	S	Bend	trans	-63.7	101.1	-175.4	27.4	-32.9	0	0	0	109.8	Y139	Y139-P267 HydrophobicContact CE1-CG 4.49Å; Y139-P267 WeakPolarHBondContact OH-CD 3.43Å; Y139-P267 VanDerWaalsContact OH-N 3.08Å; Y139-P267 PolarHBondContact OH-O 2.77Å
268	E	49.9	Very low	56.7	Low	147 Å²	147	87.1 Å²	87.1	69%	0.687	48%	0.484	S	S	*	.	S	Bend	trans	93	126.7	170.8	-50.6	-179.5	-178.7	0	0	118	Y139 P266 I270	Y139-E268 PolarHBondContact OH-O 3.2Å; P266-E268 PolarHBondContact O-N 3.35Å; E268-I270 PolarHBondContact O-N 3.34Å
269	N	49.9	Very low	54.2	Low	118 Å²	118	91 Å²	91	63%	0.631	51%	0.511	S	S	*	.			trans	49	44.3	149.5	-74.4	-44.3	0	0	0	122	D138 A271 V272	D138-N269 VanDerWaalsContact OD2-O 3.09Å; N269-A271 PolarHBondContact O-N 3.15Å; N269-V272 HydrophobicContact CB-CG2 4.48Å
270	I	55.3	Low	52	Low	37 Å²	37	99.7 Å²	99.7	19%	0.19	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-26.6	174.1	-64.6	158.8	0	0	0	115.9	L150 A154 P266 E268	L150-I270 HydrophobicContact CD2-CG2 4.38Å; L150-I270 WeakPolarHBondContact CD2-O 3.41Å; L150-I270 HydrophobicContact CG-CG2 3.86Å; L150-I270 WeakPolarHBondContact CG-O 3.4Å; A154-I270 HydrophobicContact CB-CB 4.24Å; A154-I270 HydrophobicContact CB-CD1 3.35Å; A154-I270 HydrophobicContact CB-CG1 3.61Å; A154-I270 HydrophobicContact CB-CG2 3.51Å; P266-I270 HydrophobicContact CG-CD1 3.99Å; P266-I270 HydrophobicContact CG-CG1 4.31Å; E268-I270 PolarHBondContact O-N 3.34Å
271	A	50.4	Low	49.9	Very low	55 Å²	55	102.7 Å²	102.7	46%	0.455	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	68.3	-174.7	0	0	0	0	0	113.7	N269 R273	N269-A271 PolarHBondContact O-N 3.15Å; A271-R273 PolarHBondContact O-N 3.13Å
272	V	49.5	Very low	47.8	Very low	67 Å²	67	109.1 Å²	109.1	41%	0.406	57%	0.569	S	S	.	*			trans	-69	114	157.6	-175	0	0	0	0	107.8	N269 Q274	N269-V272 HydrophobicContact CB-CG2 4.48Å; V272-Q274 PolarHBondContact O-N 3.47Å
273	R	45.6	Very low	45.5	Very low	180 Å²	180	114.7 Å²	114.7	68%	0.679	60%	0.599	S	S	*	*	B	Isolated β-bridge	trans	-66.7	106.7	166.7	-177.7	-177.7	-178.5	-167.7	0.2	106.2	F135 A271	F135-R273 HydrophobicContact CE1-CB 4.17Å; F135-R273 HydrophobicContact CE1-CG 4.29Å; A271-R273 PolarHBondContact O-N 3.13Å
274	Q	43.3	Very low	43.7	Very low	80 Å²	80	119.1 Å²	119.1	37%	0.374	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-55.3	129.2	174.5	-64.4	-63.4	-25.5	0	0	108.1	R134 S136 V272 S276	R134-Q274 WeakPolarHBondContact O-CB 3.48Å; R134-Q274 WeakPolarHBondContact O-CG 3.22Å; R134-Q274 PolarHBondContact O-N 3.34Å; S136-Q274 PolarHBondContact OG-NE2 2.73Å; V272-Q274 PolarHBondContact O-N 3.47Å; Q274-S276 PolarHBondContact O-N 3.25Å
275	P	39.3	Very low	42	Very low	104 Å²	104	125.2 Å²	125.2	68%	0.675	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-48.8	136.3	173.3	-24.4	32.3	0	0	0	108.5	V277	P275-V277 PolarHBondContact O-N 3.06Å
276	S	39.4	Very low	41.1	Very low	77 Å²	77	124.6 Å²	124.6	54%	0.538	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-54.8	123.8	176.3	54.2	0	0	0	0	107.4	Q274 T278	Q274-S276 PolarHBondContact O-N 3.25Å; S276-T278 PolarHBondContact O-N 3.14Å; S276-T278 PolarHBondContact O-OG1 3.47Å; S276-T278 PolarHBondContact OG-OG1 2.86Å; S276-T278 VanDerWaalsContact OG-OG1 3.11Å
277	V	40.1	Very low	40.2	Very low	129 Å²	129	131.6 Å²	131.6	78%	0.782	66%	0.663	S	S	*	*			trans	-68.9	67.2	168	-158.7	0	0	0	0	107	P275	P275-V277 PolarHBondContact O-N 3.06Å
278	T	36.1	Very low	39.5	Very low	101 Å²	101	132.3 Å²	132.3	62%	0.62	67%	0.666	S	S	*	*			trans	-82	0.2	172.1	31.1	0	0	0	0	111.1	S276 R280	S276-T278 PolarHBondContact O-N 3.14Å; S276-T278 PolarHBondContact O-OG1 3.47Å; S276-T278 PolarHBondContact OG-OG1 2.86Å; S276-T278 VanDerWaalsContact OG-OG1 3.11Å; T278-R280 VanDerWaalsContact C-N 3.3Å; T278-R280 PolarHBondContact O-N 3.25Å
279	S	32.2	Very low	38.5	Very low	111 Å²	111	133 Å²	133	78%	0.776	67%	0.673	S	S	*	*			trans	-87.9	23.9	178.7	-144.7	0	0	0	0	115.5
280	R	34.4	Very low	37.6	Very low	225 Å²	225	130.9 Å²	130.9	85%	0.849	68%	0.679	S	S	*	*			trans	-128.6	58.1	156.8	-85.3	-173.3	177.4	168.8	-0.9	110.8	T278 K282	T278-R280 VanDerWaalsContact C-N 3.3Å; T278-R280 PolarHBondContact O-N 3.25Å; R280-K282 PolarHBondContact O-N 3.43Å
281	R	36.8	Very low	36.6	Very low	221 Å²	221	140.1 Å²	140.1	83%	0.834	71%	0.712	S	S	*	*			trans	-67.2	72	148.8	-85.9	-178.2	172.1	167.8	-3.4	108.9
282	K	38.2	Very low	36	Very low	182 Å²	182	140.7 Å²	140.7	79%	0.791	71%	0.711	S	S	*	*	S	Bend	trans	-164.8	116.3	155.8	-107.2	165.7	-173.5	179.5	0	105.9	R280	R280-K282 PolarHBondContact O-N 3.43Å
283	N	30.4	Very low	35.2	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	73%	0.733	S	S	*	*	S	Bend	trans	83.8	65.1	174.9	-52.1	-9.4	0	0	0	116.3
284	Q	32	Very low	34.6	Very low	178 Å²	178	145.2 Å²	145.2	83%	0.832	74%	0.738	S	S	*	*				-157.4	97.8	124.4	-103.3	162	45.3	0	0	106.8	I286	Q284-I286 VanDerWaalsContact C-N 3.29Å; Q284-I286 PolarHBondContact O-N 3.39Å
285	K	29.6	Very low	34	Very low	198 Å²	198	146.6 Å²	146.6	86%	0.861	76%	0.757	S	S	*	*			trans	-51.6	101.1	163.1	-145.9	176.9	-174	-177.1	0	104.6	E287	K285-E287 PolarHBondContact O-N 3.02Å
286	I	35.2	Very low	33.6	Very low	145 Å²	145	144.5 Å²	144.5	74%	0.744	76%	0.755	S	S	*	*			trans	-68.9	92.4	174.1	-62.4	173.9	0	0	0	103.6	Q284 T288	Q284-I286 VanDerWaalsContact C-N 3.29Å; Q284-I286 PolarHBondContact O-N 3.39Å; I286-T288 VanDerWaalsContact C-N 3.35Å; I286-T288 PolarHBondContact O-N 3.19Å; I286-T288 PolarHBondContact O-OG1 3.27Å
287	E	30.3	Very low	33.1	Very low	156 Å²	156	149.9 Å²	149.9	73%	0.729	77%	0.771	S	S	*	*			trans	-58.7	105.9	167.7	-78.5	-178.1	157.2	0	0	106.7	K285 L289	K285-E287 PolarHBondContact O-N 3.02Å; E287-L289 PolarHBondContact O-N 3.17Å
288	T	30.7	Very low	32.8	Very low	119 Å²	119	150.1 Å²	150.1	73%	0.73	77%	0.768	S	S	*	*			trans	-70.7	60.4	174.7	-17.1	0	0	0	0	109.3	I286	I286-T288 VanDerWaalsContact C-N 3.35Å; I286-T288 PolarHBondContact O-N 3.19Å; I286-T288 PolarHBondContact O-OG1 3.27Å
289	L	29.3	Very low	32.5	Very low	161 Å²	161	154.3 Å²	154.3	84%	0.843	78%	0.781	S	S	*	*			trans	-137.7	128.5	178.3	-69.6	175.1	0	0	0	111.1	E287	E287-L289 PolarHBondContact O-N 3.17Å
290	G	31.8	Very low	32.6	Very low	73 Å²	73	153.6 Å²	153.6	75%	0.753	77%	0.767	S	S	*	*			trans	151.7	51.9	-172.6	0	0	0	0	0	109.8
291	R	33.3	Very low	32.3	Very low	232 Å²	232	146.7 Å²	146.7	88%	0.875	76%	0.758	S	S	*	*			trans	-59.7	128.1	164.8	-166.2	178.2	-167.7	177	1.8	105.7	H293	R291-H293 PolarHBondContact O-N 3.43Å
292	P	37.4	Very low	32.1	Very low	67 Å²	67	143.3 Å²	143.3	44%	0.435	76%	0.755	S	S	.	*			trans	-57.4	130.8	172.1	-9.5	19.7	0	0	0	107.5	L294	P292-L294 PolarHBondContact O-N 3.2Å
293	H	32.7	Very low	31.7	Very low	191 Å²	191	141.9 Å²	141.9	88%	0.884	76%	0.755	S	S	*	*			trans	-63.2	91.8	159.7	-106.6	-84.4	0	0	0	105.9	R291 S295	R291-H293 PolarHBondContact O-N 3.43Å; H293-S295 PolarHBondContact O-N 3.27Å
294	L	34.1	Very low	31.6	Very low	150 Å²	150	142.6 Å²	142.6	79%	0.785	75%	0.754	S	S	*	*			trans	-69.7	88.4	165.8	-72.2	165.3	0	0	0	105.8	P292 G296	P292-L294 PolarHBondContact O-N 3.2Å; L294-G296 PolarHBondContact O-N 2.8Å
295	S	30.8	Very low	31.4	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	75%	0.749	S	S	*	*			trans	-74.4	117.1	164.7	56.6	0	0	0	0	108	H293	H293-S295 PolarHBondContact O-N 3.27Å
296	G	30.8	Very low	31.4	Very low	60 Å²	60	138.3 Å²	138.3	62%	0.619	75%	0.749	S	S	*	*	S	Bend	trans	90.1	114.3	162.3	0	0	0	0	0	114.5	L294 N298	L294-G296 PolarHBondContact O-N 2.8Å; G296-N298 PolarHBondContact O-N 3.31Å
297	E	30	Very low	31.1	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	75%	0.752	S	S	*	*			trans	-51.4	93.5	168.9	-64	159.2	158.1	0	0	110.7	E299	E297-E299 VanDerWaalsContact C-N 3.26Å; E297-E299 PolarHBondContact O-N 2.82Å
298	N	32.9	Very low	30.8	Very low	135 Å²	135	137.8 Å²	137.8	72%	0.722	76%	0.756	S	S	*	*			trans	-90.1	72.6	163.5	-85.5	-26.5	0	0	0	107.7	G296 L300	G296-N298 PolarHBondContact O-N 3.31Å; N298-L300 HydrophobicContact CB-CD1 4.44Å; N298-L300 HydrophobicContact CB-CD2 4.34Å; N298-L300 HydrophobicContact CB-CG 4.09Å; N298-L300 PolarHBondContact O-N 3.1Å
299	E	28.9	Very low	30.6	Very low	189 Å²	189	139 Å²	139	88%	0.883	76%	0.758	S	S	*	*			trans	-64.4	85.5	159.5	-81	-171.1	148.2	0	0	107.7	E297 A301	E297-E299 VanDerWaalsContact C-N 3.26Å; E297-E299 PolarHBondContact O-N 2.82Å; E299-A301 PolarHBondContact O-N 2.86Å; E299-A301 VanDerWaalsContact O-N 3.11Å
300	L	35.7	Very low	30.3	Very low	95 Å²	95	137.1 Å²	137.1	50%	0.497	76%	0.759	S	S	.	*			trans	-79.6	98.6	-178.9	-65.2	165.2	0	0	0	108.1	K78 N298 I302	K78-L300 HydrophobicContact CD-CD2 4.18Å; N298-L300 HydrophobicContact CB-CD1 4.44Å; N298-L300 HydrophobicContact CB-CD2 4.34Å; N298-L300 HydrophobicContact CB-CG 4.09Å; N298-L300 PolarHBondContact O-N 3.1Å; L300-I302 PolarHBondContact O-N 3.28Å
301	A	27.3	Very low	29.9	Very low	80 Å²	80	138.3 Å²	138.3	66%	0.661	76%	0.761	S	S	*	*			trans	-46.5	123.2	169.6	0	0	0	0	0	110.9	E299 I303	E299-A301 PolarHBondContact O-N 2.86Å; E299-A301 VanDerWaalsContact O-N 3.11Å; A301-I303 PolarHBondContact O-N 3.1Å
302	I	32	Very low	29.4	Very low	150 Å²	150	136.6 Å²	136.6	77%	0.769	76%	0.763	S	S	*	*			trans	-66.3	110.5	171.4	-61.5	171.3	0	0	0	106.1	L300 E304	L300-I302 PolarHBondContact O-N 3.28Å; I302-E304 VanDerWaalsContact C-N 3.31Å; I302-E304 HydrophobicContact CG2-CG 4.01Å; I302-E304 PolarHBondContact O-N 3.18Å; I302-E304 VanDerWaalsContact O-N 3.12Å
303	I	30	Very low	28.5	Very low	152 Å²	152	140.2 Å²	140.2	78%	0.779	78%	0.779	S	S	*	*			trans	-79.9	92.4	167.3	-58.2	175.3	0	0	0	105.3	A301 A305	A301-I303 PolarHBondContact O-N 3.1Å; I303-A305 PolarHBondContact O-N 3.44Å; I303-A305 VanDerWaalsContact O-N 3.13Å
304	E	28.2	Very low	28	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	78%	0.778	S	S	*	*			trans	-60.7	111.4	162.3	-70.4	-176.2	162.2	0	0	107.1	I302 K306	I302-E304 VanDerWaalsContact C-N 3.31Å; I302-E304 HydrophobicContact CG2-CG 4.01Å; I302-E304 PolarHBondContact O-N 3.18Å; I302-E304 VanDerWaalsContact O-N 3.12Å; E304-K306 PolarHBondContact O-N 2.79Å
305	A	28.3	Very low	27.4	Very low	89 Å²	89	138.7 Å²	138.7	74%	0.736	78%	0.776	S	S	*	*			trans	-63.4	106.1	173.1	0	0	0	0	0	107.6	I303 E307	I303-A305 PolarHBondContact O-N 3.44Å; I303-A305 VanDerWaalsContact O-N 3.13Å; A305-E307 PolarHBondContact O-N 2.86Å
306	K	29.6	Very low	28	Very low	196 Å²	196	138.4 Å²	138.4	85%	0.852	77%	0.772	S	S	*	*			trans	-58.4	102.5	174.2	-70.4	-178	173.6	-176.1	0	109.1	E304 S308	E304-K306 PolarHBondContact O-N 2.79Å; K306-S308 PolarHBondContact O-N 3.2Å
307	E	28.7	Very low	27.6	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	79%	0.786	S	S	*	*			trans	-65.8	113.9	167.4	-69.2	-172.8	159.1	0	0	108.4	A305 N309	A305-E307 PolarHBondContact O-N 2.86Å; E307-N309 PolarHBondContact O-N 3.39Å
308	S	24.5	Very low	27.1	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	78%	0.782	S	S	*	*			trans	-81.5	89.1	174.5	-53.6	0	0	0	0	107.8	K306	K306-S308 PolarHBondContact O-N 3.2Å
309	N	26.8	Very low	26.5	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	78%	0.776	S	S	*	*			trans	-120.7	105.7	166.8	-87	-31.6	0	0	0	109	E307 A311	E307-N309 PolarHBondContact O-N 3.39Å; N309-A311 PolarHBondContact O-N 3.02Å
310	S	21.8	Very low	26.3	Very low	123 Å²	123	140.6 Å²	140.6	86%	0.86	78%	0.777	S	S	*	*			trans	-62.7	114.2	165.5	49.6	0	0	0	0	110
311	A	24.3	Very low	25.6	Very low	98 Å²	98	144 Å²	144	81%	0.81	79%	0.788	S	S	*	*			trans	-153.8	132.9	156.6	0	0	0	0	0	109.1	N309	N309-A311 PolarHBondContact O-N 3.02Å
312	E	22.3	Very low	25.4	Very low	195 Å²	195	147.5 Å²	147.5	91%	0.911	79%	0.794	S	S	*	*			trans	-69.6	131	-167.9	-64.9	165	143.2	0	0	112.9
313	N	19	Very low	24.9	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	80%	0.797	S	S	*	*			trans	41.1	100.2	132.8	-158.9	8.9	0	0	0	119.2
314	I	22.5	Very low	24.6	Very low	171 Å²	171	142.1 Å²	142.1	88%	0.877	80%	0.796	S	S	*	*			trans	-143.5	117	133.9	-75.3	152.5	0	0	0	107.4
315	N	21.6	Very low	24.3	Very low	138 Å²	138	139.4 Å²	139.4	74%	0.738	80%	0.795	S	S	*	*			trans	-97	175.4	160.8	-91.7	-30.8	0	0	0	108.7
316	P	42.4	Very low	24	Very low	104 Å²	104	141 Å²	141	68%	0.675	80%	0.798	S	S	*	*			cis	-133.9	168.7	-49.5	37.9	-22.2	0	0	0	111.4
317	V	22.5	Very low	23.6	Very low	153 Å²	153	139.2 Å²	139.2	93%	0.927	80%	0.796	S	S	*	*			trans	-142.4	134.4	149	-179.2	0	0	0	0	108.6
318	E	20.3	Very low	23.3	Very low	168 Å²	168	136.3 Å²	136.3	79%	0.785	79%	0.793	S	S	*	*			trans	-80.7	156.5	-166.5	-75.5	170.2	141.1	0	0	116.3
319	E	20.7	Very low	23.3	Very low	130 Å²	130	138.4 Å²	138.4	61%	0.607	79%	0.794	S	S	*	*			trans	35.8	121.2	149.2	-61	-167.9	135.2	0	0	121	K321	E319-K321 VanDerWaalsContact OE1-CE 3.3Å; E319-K321 WeakPolarHBondContact OE1-CE 3.49Å; E319-K321 IonicContact OE1-NZ 2.9Å; E319-K321 PolarHBondContact OE1-NZ 3.12Å
320	D	23	Very low	23	Very low	168 Å²	168	137.8 Å²	137.8	90%	0.898	79%	0.79	S	S	*	*				-148.2	125	115.5	-106.4	-31.3	0	0	0	111.8
321	K	22	Very low	23.2	Very low	166 Å²	166	138.6 Å²	138.6	72%	0.722	79%	0.785	S	S	*	*			trans	-81.8	112.1	-175.9	-70.3	170.6	-177.7	146.1	0	109.8	E319	E319-K321 VanDerWaalsContact OE1-CE 3.3Å; E319-K321 WeakPolarHBondContact OE1-CE 3.49Å; E319-K321 IonicContact OE1-NZ 2.9Å; E319-K321 PolarHBondContact OE1-NZ 3.12Å
322	I	24	Very low	23.1	Very low	154 Å²	154	141 Å²	141	79%	0.79	78%	0.78	S	S	*	*			trans	-120.7	93.5	157.5	-58.6	179.2	0	0	0	107.7	S324	I322-S324 PolarHBondContact O-N 2.92Å
323	G	20.7	Very low	23.3	Very low	81 Å²	81	140 Å²	140	84%	0.835	77%	0.772	S	S	*	*			trans	-61.4	115.9	172.6	0	0	0	0	0	110.2
324	S	23	Very low	23.8	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	77%	0.771	S	S	*	*			trans	-112.3	100.8	165.3	-62.6	0	0	0	0	107.5	I322	I322-S324 PolarHBondContact O-N 2.92Å
325	S	21.8	Very low	24.1	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-57.1	144.5	170.8	-79	0	0	0	0	110.7	I327	S325-I327 PolarHBondContact O-N 3.44Å
326	P	22.3	Very low	24.4	Very low	124 Å²	124	134.9 Å²	134.9	81%	0.805	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.6	119.2	-174.9	-13.2	27.4	0	0	0	110.6
327	I	21.6	Very low	23.9	Very low	157 Å²	157	132.6 Å²	132.6	81%	0.805	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-70.6	125.3	170.9	-58.8	172.6	0	0	0	107.6	S325 L329	S325-I327 PolarHBondContact O-N 3.44Å; I327-L329 PolarHBondContact O-N 3.47Å
328	P	21.8	Very low	24.6	Very low	114 Å²	114	129.2 Å²	129.2	74%	0.74	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-67.2	130.8	-173.7	-15.2	28.2	0	0	0	111.5	N330	P328-N330 PolarHBondContact O-N 3Å
329	L	24.1	Very low	25.3	Very low	160 Å²	160	126.1 Å²	126.1	84%	0.838	71%	0.706	S	S	*	*			trans	-58.2	107.7	174.5	-92.9	97.4	0	0	0	110.7	I327 N331	I327-L329 PolarHBondContact O-N 3.47Å; L329-N331 PolarHBondContact O-N 3.07Å; L329-N331 VanDerWaalsContact O-N 3.07Å
330	N	22	Very low	25.9	Very low	130 Å²	130	124.1 Å²	124.1	70%	0.695	70%	0.699	S	S	*	*			trans	-71.2	100.5	170.4	-168.3	7.3	0	0	0	109.4	P328 Q332	P328-N330 PolarHBondContact O-N 3Å; N330-Q332 VanDerWaalsContact C-N 3.3Å; N330-Q332 PolarHBondContact O-N 2.97Å
331	N	24.7	Very low	26.4	Very low	140 Å²	140	120.2 Å²	120.2	75%	0.749	68%	0.678	S	S	*	*			trans	-65.8	81.5	175.1	-87.4	-28.9	0	0	0	111.4	L329	L329-N331 PolarHBondContact O-N 3.07Å; L329-N331 VanDerWaalsContact O-N 3.07Å
332	Q	23.1	Very low	27	Very low	150 Å²	150	113.5 Å²	113.5	70%	0.701	65%	0.649	S	S	*	*			trans	-98.8	103.5	165	-75.4	-170	-0.1	0	0	111.2	N330	N330-Q332 VanDerWaalsContact C-N 3.3Å; N330-Q332 PolarHBondContact O-N 2.97Å
333	K	27.1	Very low	27.5	Very low	172 Å²	172	110.3 Å²	110.3	75%	0.748	63%	0.627	S	S	*	*			trans	7.9	112.1	147.6	-62.2	175.3	-180	176.7	0	115.4
334	N	28.1	Very low	27.9	Very low	138 Å²	138	110.1 Å²	110.1	74%	0.738	61%	0.607	S	S	*	*			trans	-133.5	83.3	159.7	-80.8	-44.8	0	0	0	110.1
335	D	29.7	Very low	28.3	Very low	120 Å²	120	109.8 Å²	109.8	64%	0.642	60%	0.597	S	S	*	*			trans	-66.4	129.5	155.5	-79.6	-51.2	0	0	0	108.5	A119	A119-D335 VanDerWaalsContact CB-OD1 3.25Å; A119-D335 WeakPolarHBondContact CB-OD1 3.33Å
336	A	28.1	Very low	28.7	Very low	87 Å²	87	108.3 Å²	108.3	72%	0.719	58%	0.579	S	S	*	*	S	Bend	trans	62.5	86.2	176.9	0	0	0	0	0	115.2
337	N	30.7	Very low	28.9	Very low	56 Å²	56	110 Å²	110	30%	0.299	58%	0.577	S	S	.	*			trans	170.3	89.7	132.5	-85.7	-47.7	0	0	0	109.4	D339 L340 L341	N337-D339 PolarHBondContact O-N 3.26Å; N337-L340 HydrophobicContact CB-CB 3.54Å; N337-L340 HydrophobicContact CB-CD1 4.1Å; N337-L340 HydrophobicContact CB-CG 4.42Å; N337-L340 WeakPolarHBondContact ND2-CD1 3.45Å; N337-L340 PolarHBondContact O-N 2.98Å; N337-L341 PolarHBondContact O-N 3.47Å
338	D	38.4	Very low	29.2	Very low	82 Å²	82	109.7 Å²	109.7	44%	0.439	58%	0.575	S	S	.	*	H	α-helix	trans	-55	-26.6	157.1	-97.7	-11.1	0	0	0	110.1	H91 F342	H91-D338 IonicContact CD2-OD2 3.9Å; H91-D338 IonicContact CE1-OD2 3.96Å; H91-D338 IonicContact NE2-OD1 2.88Å; H91-D338 IonicContact NE2-OD2 3.77Å; H91-D338 PolarHBondContact NE2-OD2 3.07Å; D338-F342 PolarHBondContact O-N 3.44Å
339	D	34.7	Very low	29.3	Very low	103 Å²	103	106.7 Å²	106.7	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-66.8	-30.2	172.2	-71.9	-24.4	0	0	0	113.9	N337 Y343	N337-D339 PolarHBondContact O-N 3.26Å; D339-Y343 WeakPolarHBondContact O-CD2 3.47Å; D339-Y343 PolarHBondContact O-N 3.46Å
340	L	32.1	Very low	29.3	Very low	88 Å²	88	104.3 Å²	104.3	46%	0.461	56%	0.562	S	S	.	*	H	α-helix	trans	-87.8	-32.2	179.5	-115.8	97.2	0	0	0	111.5	N337 F342 Y343 N344	N337-L340 HydrophobicContact CB-CB 3.54Å; N337-L340 HydrophobicContact CB-CD1 4.1Å; N337-L340 HydrophobicContact CB-CG 4.42Å; N337-L340 WeakPolarHBondContact ND2-CD1 3.45Å; N337-L340 PolarHBondContact O-N 2.98Å; L340-F342 PolarHBondContact O-N 3.22Å; L340-Y343 PolarHBondContact O-N 2.94Å; L340-Y343 VanDerWaalsContact O-N 3.11Å; L340-N344 PolarHBondContact O-N 2.89Å
341	L	33.6	Very low	29.4	Very low	87 Å²	87	101.1 Å²	101.1	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-58.3	-36	169.8	-97	161.1	0	0	0	110.6	N337 N344 L345	N337-L341 PolarHBondContact O-N 3.47Å; L341-N344 PolarHBondContact O-N 3.27Å; L341-L345 PolarHBondContact O-N 3.46Å
342	F	35.7	Very low	29.4	Very low	25 Å²	25	98.3 Å²	98.3	11%	0.11	56%	0.556	C	S	.	*	H	α-helix	trans	-64.6	-41.6	172.7	-172.5	-101.6	0	0	0	113.1	I60 T63 R64 D338 L340 L345 I346	I60-F342 HydrophobicContact CG2-CE1 4.48Å; T63-F342 HydrophobicContact CG2-CZ 4.06Å; R64-F342 HydrophobicContact CB-CZ 4.18Å; D338-F342 PolarHBondContact O-N 3.44Å; L340-F342 PolarHBondContact O-N 3.22Å; F342-L345 PolarHBondContact O-N 2.88Å; F342-I346 HydrophobicContact CD1-CD1 4.08Å; F342-I346 HydrophobicContact CE1-CD1 3.66Å; F342-I346 HydrophobicContact CE1-CG1 4.42Å; F342-I346 HydrophobicContact CZ-CD1 4.29Å; F342-I346 PolarHBondContact O-N 3.24Å; F342-I346 VanDerWaalsContact O-N 3.13Å
343	Y	34.4	Very low	29.5	Very low	86 Å²	86	99.1 Å²	99.1	34%	0.337	56%	0.563	S	S	.	*	H	α-helix	trans	-68.9	-35.8	176.2	-80.5	-74.2	0	0	0	113.2	H33 D339 L340 L345 I346 Q347	H33-Y343 PolarHBondContact CD2-OH 3.31Å; H33-Y343 PolarHBondContact CE1-OH 3.38Å; H33-Y343 PolarHBondContact NE2-OH 3.44Å; D339-Y343 WeakPolarHBondContact O-CD2 3.47Å; D339-Y343 PolarHBondContact O-N 3.46Å; L340-Y343 PolarHBondContact O-N 2.94Å; L340-Y343 VanDerWaalsContact O-N 3.11Å; Y343-L345 VanDerWaalsContact C-N 3.3Å; Y343-L345 PolarHBondContact O-N 3.15Å; Y343-I346 PolarHBondContact O-N 3.11Å; Y343-I346 VanDerWaalsContact O-N 3.15Å; Y343-Q347 PolarHBondContact O-N 3.12Å
344	N	29.7	Very low	29.3	Very low	77 Å²	77	101.4 Å²	101.4	41%	0.412	57%	0.567	S	S	.	*	H	α-helix	trans	-68.1	-31.7	175	-73	-11.5	0	0	0	111.7	L340 L341 I346 Q347 I348	L340-N344 PolarHBondContact O-N 2.89Å; L341-N344 PolarHBondContact O-N 3.27Å; N344-I346 VanDerWaalsContact C-N 3.34Å; N344-Q347 PolarHBondContact O-N 3.19Å; N344-I348 WeakPolarHBondContact O-CG1 3.3Å; N344-I348 PolarHBondContact O-N 2.93Å; N344-I348 VanDerWaalsContact O-N 3.14Å
345	L	31	Very low	29.1	Very low	101 Å²	101	99.5 Å²	99.5	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-67.7	-31.5	170.6	-87.6	157.4	0	0	0	112.8	L341 F342 Y343 Q347 I348 G349	L341-L345 PolarHBondContact O-N 3.46Å; F342-L345 PolarHBondContact O-N 2.88Å; Y343-L345 VanDerWaalsContact C-N 3.3Å; Y343-L345 PolarHBondContact O-N 3.15Å; L345-Q347 VanDerWaalsContact C-N 3.3Å; L345-Q347 PolarHBondContact O-N 3.43Å; L345-I348 PolarHBondContact O-N 3.13Å; L345-G349 PolarHBondContact O-N 3.22Å
346	I	29.4	Very low	28.8	Very low	77 Å²	77	103.8 Å²	103.8	40%	0.395	57%	0.572	S	S	.	*	H	α-helix	trans	-66.6	-31.9	172.4	-67.4	177.7	0	0	0	111.4	F342 Y343 N344	F342-I346 HydrophobicContact CD1-CD1 4.08Å; F342-I346 HydrophobicContact CE1-CD1 3.66Å; F342-I346 HydrophobicContact CE1-CG1 4.42Å; F342-I346 HydrophobicContact CZ-CD1 4.29Å; F342-I346 PolarHBondContact O-N 3.24Å; F342-I346 VanDerWaalsContact O-N 3.13Å; Y343-I346 PolarHBondContact O-N 3.11Å; Y343-I346 VanDerWaalsContact O-N 3.15Å; N344-I346 VanDerWaalsContact C-N 3.34Å
347	Q	27.5	Very low	28.6	Very low	161 Å²	161	106.3 Å²	106.3	75%	0.752	57%	0.573	S	S	*	*	H	α-helix	trans	-76.8	-34.5	174.7	-77.5	-153	-53.9	0	0	113.8	Y343 N344 L345	Y343-Q347 PolarHBondContact O-N 3.12Å; N344-Q347 PolarHBondContact O-N 3.19Å; L345-Q347 VanDerWaalsContact C-N 3.3Å; L345-Q347 PolarHBondContact O-N 3.43Å
348	I	27	Very low	28.4	Very low	149 Å²	149	110.2 Å²	110.2	76%	0.764	60%	0.599	S	S	*	*	H	α-helix	trans	-83.7	-21	-179.3	-57.5	172.7	0	0	0	111.7	N344 L345 S350	N344-I348 WeakPolarHBondContact O-CG1 3.3Å; N344-I348 PolarHBondContact O-N 2.93Å; N344-I348 VanDerWaalsContact O-N 3.14Å; L345-I348 PolarHBondContact O-N 3.13Å; I348-S350 PolarHBondContact O-N 3.21Å
349	G	23.6	Very low	27.8	Very low	52 Å²	52	111.5 Å²	111.5	54%	0.536	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.9	16.3	-177.7	0	0	0	0	0	116.6	L345 G351	L345-G349 PolarHBondContact O-N 3.22Å; G349-G351 PolarHBondContact O-N 3.29Å; G349-G351 VanDerWaalsContact O-N 3.07Å
350	S	25.6	Very low	27.4	Very low	110 Å²	110	115.7 Å²	115.7	77%	0.769	63%	0.627	S	S	*	*			trans	-69.7	2.8	174.6	-57.5	0	0	0	0	113.5	I348	I348-S350 PolarHBondContact O-N 3.21Å
351	G	23.9	Very low	27.2	Very low	63 Å²	63	121 Å²	121	65%	0.649	64%	0.642	S	S	*	*	S	Bend	trans	-89.9	102	169.2	0	0	0	0	0	111.9	G349	G349-G351 PolarHBondContact O-N 3.29Å; G349-G351 VanDerWaalsContact O-N 3.07Å
352	A	24.1	Very low	26.8	Very low	80 Å²	80	123.9 Å²	123.9	66%	0.661	66%	0.656	S	S	*	*			trans	66.3	80.9	153.9	0	0	0	0	0	118.7
353	I	25.4	Very low	26.4	Very low	167 Å²	167	127.8 Å²	127.8	86%	0.856	68%	0.682	S	S	*	*			trans	-134.6	91.6	132.9	-55.5	-179.2	0	0	0	107.3	S355	I353-S355 PolarHBondContact O-N 2.96Å; I353-S355 VanDerWaalsContact O-N 3.15Å
354	W	21.8	Very low	25.8	Very low	220 Å²	220	130.4 Å²	130.4	83%	0.833	70%	0.702	S	S	*	*			trans	-66.9	105.8	171.3	-75.7	24	0	0	0	109.1
355	S	24.9	Very low	25.9	Very low	99 Å²	99	133.6 Å²	133.6	69%	0.692	72%	0.719	S	S	*	*			trans	-98.9	92.3	157	-179.1	0	0	0	0	107.2	I353 N357	I353-S355 PolarHBondContact O-N 2.96Å; I353-S355 VanDerWaalsContact O-N 3.15Å; S355-N357 VanDerWaalsContact C-N 3.34Å; S355-N357 PolarHBondContact O-N 3Å
356	R	23.3	Very low	25.7	Very low	210 Å²	210	140.2 Å²	140.2	79%	0.792	75%	0.754	S	S	*	*			trans	-60	96.6	165.4	-102.9	177.3	164.5	150	-5.3	107.6
357	N	25	Very low	25.5	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	77%	0.771	S	S	*	*			trans	-148.2	57.2	162.6	-94	-24.1	0	0	0	108.8	S355	S355-N357 VanDerWaalsContact C-N 3.34Å; S355-N357 PolarHBondContact O-N 3Å
358	T	26	Very low	25.4	Very low	138 Å²	138	142.4 Å²	142.4	85%	0.847	77%	0.772	S	S	*	*			trans	-94.7	96.3	164.3	-16.2	0	0	0	0	107.6	Q360	T358-Q360 PolarHBondContact O-N 3.12Å
359	T	25.9	Very low	25.3	Very low	110 Å²	110	142.1 Å²	142.1	68%	0.675	77%	0.773	S	S	*	*			trans	1.5	109.1	157.3	-33.7	0	0	0	0	115.4	Y361	T359-Y361 VanDerWaalsContact C-N 3.31Å; T359-Y361 PolarHBondContact O-N 3.22Å
360	Q	26.7	Very low	25.4	Very low	191 Å²	191	147.4 Å²	147.4	89%	0.893	79%	0.787	S	S	*	*			trans	-59.7	98.5	158.5	-85	173.3	-19	0	0	107.8	T358 I362	T358-Q360 PolarHBondContact O-N 3.12Å; Q360-I362 PolarHBondContact O-N 3.24Å
361	Y	26.9	Very low	25.4	Very low	198 Å²	198	149.7 Å²	149.7	78%	0.776	79%	0.788	S	S	*	*			trans	-63.2	116.1	164.3	-105.6	-94.7	0	0	0	107.5	T359 V363	T359-Y361 VanDerWaalsContact C-N 3.31Å; T359-Y361 PolarHBondContact O-N 3.22Å; Y361-V363 VanDerWaalsContact C-N 3.33Å; Y361-V363 PolarHBondContact O-N 3.18Å
362	I	24.7	Very low	25.5	Very low	148 Å²	148	155.5 Å²	155.5	76%	0.759	80%	0.797	S	S	*	*			trans	-61	98.7	163.3	-62.6	168.8	0	0	0	105.8	Q360 N364	Q360-I362 PolarHBondContact O-N 3.24Å; I362-N364 PolarHBondContact O-N 3.4Å
363	V	28.2	Very low	25.6	Very low	107 Å²	107	160.9 Å²	160.9	65%	0.648	81%	0.807	S	S	*	*			trans	-86	105.3	168.5	177.5	0	0	0	0	106.3	Y361 N365	Y361-V363 VanDerWaalsContact C-N 3.33Å; Y361-V363 PolarHBondContact O-N 3.18Å; V363-N365 PolarHBondContact O-N 2.88Å
364	N	21.9	Very low	25.7	Very low	142 Å²	142	160.4 Å²	160.4	76%	0.759	80%	0.803	S	S	*	*			trans	-54	115.8	163.1	-66.2	-44.7	0	0	0	108.5	I362	I362-N364 PolarHBondContact O-N 3.4Å
365	N	30.2	Very low	26	Very low	143 Å²	143	155.4 Å²	155.4	77%	0.765	80%	0.801	S	S	*	*			trans	-104.2	114.2	155.3	-77.5	-47.2	0	0	0	106.5	V363	V363-N365 PolarHBondContact O-N 2.88Å
366	L	28.1	Very low	26.1	Very low	240 Å²	240	160.5 Å²	160.5	100%	1.257	81%	0.81	S	S	*	*			trans	-45.3	0	145.8	-72.4	156.6	0	0	0	109.8

Retrieved 366 of 366 residues in 67.9 ms (Link to these results)

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