A0A061I440_CRIGR Loading...

L-Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A061I440, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Fut1, Length 377 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.1	Very low	68.1	Low	235 Å²	235	145.8 Å²	145.8	100%	1.158	70%	0.698	S	S	*	*				0	106.5	0	-86.5	156.8	38.6	0	0	108.5
2	W	58.1	Low	68.7	Low	263 Å²	263	138.3 Å²	138.3	100%	0.996	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-83.3	126.3	-179.9	-84.5	41.8	0	0	0	109.9
3	T	59.5	Low	69.4	Low	127 Å²	127	138.3 Å²	138.3	78%	0.779	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-77.4	132.5	174.1	42.2	0	0	0	0	109.7	S5	T3-S5 PolarHBondContact O-N 2.84Å
4	P	69.2	Low	69.8	Low	81 Å²	81	136.1 Å²	136.1	53%	0.526	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-62.7	138.4	179.6	-11.8	21.4	0	0	0	110.9	Q8 L9	P4-Q8 HydrophobicContact CB-CB 4.35Å; P4-L9 HydrophobicContact CB-CG 4.42Å
5	S	78.1	Confident	70.1	Confident	60 Å²	60	134.7 Å²	134.7	42%	0.42	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-67.5	153.4	177.1	68	0	0	0	0	111.3	T3 R7 Q8 L9	T3-S5 PolarHBondContact O-N 2.84Å; S5-R7 PolarHBondContact O-N 2.97Å; S5-Q8 WeakPolarHBondContact O-CB 3.36Å; S5-Q8 PolarHBondContact O-N 2.99Å; S5-Q8 WeakPolarHBondContact OG-CG 3.42Å; S5-Q8 PolarHBondContact OG-OE1 3Å; S5-L9 PolarHBondContact O-N 3.42Å; S5-L9 VanDerWaalsContact O-N 3.15Å
6	R	69.1	Low	70.5	Confident	218 Å²	218	132.2 Å²	132.2	82%	0.823	66%	0.655	S	S	*	*	H	α-helix	trans	-53.2	-31.6	178.2	-165.7	176.2	-178.8	-170.5	0.5	113.1	C10	R6-C10 PolarHBondContact O-N 2.91Å; R6-C10 VanDerWaalsContact O-N 3.08Å; R6-C10 PolarHBondContact O-SG 2.89Å; R6-C10 VanDerWaalsContact O-SG 3.34Å
7	R	72.3	Confident	70.5	Confident	213 Å²	213	127.3 Å²	127.3	80%	0.804	64%	0.636	S	S	*	*	H	α-helix	trans	-67.9	-39.1	174.2	-80.9	-174.1	174.2	-174.8	-1.2	113	S5 C10 L11	S5-R7 PolarHBondContact O-N 2.97Å; R7-C10 PolarHBondContact O-N 3.19Å; R7-L11 WeakPolarHBondContact O-CG 3.21Å; R7-L11 PolarHBondContact O-N 3.32Å
8	Q	74.2	Confident	70.7	Confident	113 Å²	113	125.6 Å²	125.6	53%	0.528	63%	0.634	S	S	.	*	H	α-helix	trans	-68.1	-37.8	177.3	-73	167.2	-38.3	0	0	111.4	P4 S5 L11 A12	P4-Q8 HydrophobicContact CB-CB 4.35Å; S5-Q8 WeakPolarHBondContact O-CB 3.36Å; S5-Q8 PolarHBondContact O-N 2.99Å; S5-Q8 WeakPolarHBondContact OG-CG 3.42Å; S5-Q8 PolarHBondContact OG-OE1 3Å; Q8-L11 PolarHBondContact O-N 2.88Å; Q8-A12 WeakPolarHBondContact O-CB 3.28Å; Q8-A12 PolarHBondContact O-N 2.94Å
9	L	74.1	Confident	70.5	Confident	105 Å²	105	125.1 Å²	125.1	55%	0.55	63%	0.632	S	S	.	*	H	α-helix	trans	-65.4	-41.3	174.1	-70.2	167.3	0	0	0	112	P4 S5 A12 F13	P4-L9 HydrophobicContact CB-CG 4.42Å; S5-L9 PolarHBondContact O-N 3.42Å; S5-L9 VanDerWaalsContact O-N 3.15Å; L9-A12 PolarHBondContact O-N 3.01Å; L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 2.82Å
10	C	73.3	Confident	70.3	Confident	70 Å²	70	122.6 Å²	122.6	47%	0.473	63%	0.627	S	S	.	*	H	α-helix	trans	-65.8	-39.5	175.7	-72.3	0	0	0	0	112.8	R6 R7 F13 L14	R6-C10 PolarHBondContact O-N 2.91Å; R6-C10 VanDerWaalsContact O-N 3.08Å; R6-C10 PolarHBondContact O-SG 2.89Å; R6-C10 VanDerWaalsContact O-SG 3.34Å; R7-C10 PolarHBondContact O-N 3.19Å; C10-F13 PolarHBondContact O-N 3.15Å; C10-L14 WeakPolarHBondContact O-CB 3.44Å; C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 2.66Å
11	L	75.4	Confident	69.8	Low	119 Å²	119	120.5 Å²	120.5	62%	0.623	62%	0.62	S	S	*	*	H	α-helix	trans	-67.2	-41.7	176.2	-76.3	166.8	0	0	0	111.7	R7 Q8 F13 L14 L15	R7-L11 WeakPolarHBondContact O-CG 3.21Å; R7-L11 PolarHBondContact O-N 3.32Å; Q8-L11 PolarHBondContact O-N 2.88Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-F13 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 2.63Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.32Å
12	A	74.8	Confident	70.7	Confident	56 Å²	56	111 Å²	111	46%	0.463	58%	0.582	S	S	.	*	H	α-helix	trans	-62.1	-42.4	174.8	0	0	0	0	0	111.6	Q8 L9 L15 V16	Q8-A12 WeakPolarHBondContact O-CB 3.28Å; Q8-A12 PolarHBondContact O-N 2.94Å; L9-A12 PolarHBondContact O-N 3.01Å; A12-L15 PolarHBondContact O-N 2.76Å; A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.37Å
13	F	77.8	Confident	70.5	Confident	138 Å²	138	102 Å²	102	61%	0.605	56%	0.559	S	S	*	*	H	α-helix	trans	-63.9	-45	176.6	-175.3	-99.4	0	0	0	112.4	L9 C10 L11 L15 V16 C17	L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 2.82Å; C10-F13 PolarHBondContact O-N 3.15Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-F13 PolarHBondContact O-N 3.1Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 3.2Å; F13-V16 PolarHBondContact O-N 2.96Å; F13-C17 PolarHBondContact O-N 3.34Å; F13-C17 PolarHBondContact O-SG 2.84Å; F13-C17 VanDerWaalsContact O-SG 3.33Å
14	L	75.3	Confident	70.1	Confident	107 Å²	107	102.5 Å²	102.5	56%	0.56	55%	0.551	S	S	*	*	H	α-helix	trans	-61.1	-39.9	175.3	-81.6	163.8	0	0	0	112	C10 L11 C17 V18	C10-L14 WeakPolarHBondContact O-CB 3.44Å; C10-L14 WeakPolarHBondContact O-CG 3.41Å; C10-L14 PolarHBondContact O-N 2.66Å; L11-L14 PolarHBondContact O-N 2.63Å; L14-C17 PolarHBondContact O-N 3.16Å; L14-V18 WeakPolarHBondContact O-CG2 3.44Å; L14-V18 PolarHBondContact O-N 3.29Å
15	L	74.7	Confident	69.2	Low	115 Å²	115	105 Å²	105	60%	0.602	55%	0.553	S	S	*	*	H	α-helix	trans	-64.9	-41.8	177.7	-154	113	0	0	0	111.5	L11 A12 F13 V18 L19	L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.32Å; A12-L15 PolarHBondContact O-N 2.76Å; F13-L15 VanDerWaalsContact C-N 3.31Å; F13-L15 PolarHBondContact O-N 3.2Å; L15-V18 PolarHBondContact O-N 3.37Å; L15-L19 HydrophobicContact CD2-CD1 3.87Å; L15-L19 HydrophobicContact CG-CD1 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.19Å; L15-L19 PolarHBondContact O-N 3.02Å
16	V	75.8	Confident	67.9	Low	95 Å²	95	110.3 Å²	110.3	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-63.7	-41.2	174.7	172.1	0	0	0	0	111.3	A12 F13 L19 S20	A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.37Å; F13-V16 PolarHBondContact O-N 2.96Å; V16-L19 PolarHBondContact O-N 3.26Å; V16-S20 VanDerWaalsContact O-CB 3.23Å; V16-S20 WeakPolarHBondContact O-CB 3.48Å; V16-S20 PolarHBondContact O-N 2.82Å
17	C	70.4	Confident	67	Low	49 Å²	49	107.9 Å²	107.9	33%	0.331	57%	0.567	S	S	.	*	H	α-helix	trans	-63.5	-43.7	175.9	-69.6	0	0	0	0	112.2	F13 L14 S20 T21	F13-C17 PolarHBondContact O-N 3.34Å; F13-C17 PolarHBondContact O-SG 2.84Å; F13-C17 VanDerWaalsContact O-SG 3.33Å; L14-C17 PolarHBondContact O-N 3.16Å; C17-S20 PolarHBondContact O-N 2.93Å; C17-T21 PolarHBondContact O-N 3.32Å; C17-T21 PolarHBondContact O-OG1 2.86Å; C17-T21 VanDerWaalsContact O-OG1 3.07Å
18	V	74.6	Confident	65.7	Low	97 Å²	97	103 Å²	103	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-44.2	177.9	172.4	0	0	0	0	111.2	L14 L15 S20 T21 G22	L14-V18 WeakPolarHBondContact O-CG2 3.44Å; L14-V18 PolarHBondContact O-N 3.29Å; L15-V18 PolarHBondContact O-N 3.37Å; V18-S20 PolarHBondContact O-N 2.89Å; V18-T21 WeakPolarHBondContact CA-OG1 3.39Å; V18-T21 PolarHBondContact O-N 3.07Å; V18-T21 PolarHBondContact O-OG1 2.85Å; V18-G22 PolarHBondContact O-N 2.98Å
19	L	67.5	Low	64.4	Low	116 Å²	116	105.8 Å²	105.8	61%	0.607	56%	0.563	S	S	*	*	H	α-helix	trans	-64.6	-38.4	176.9	-70.2	171.3	0	0	0	112.2	L15 V16 G22 S23	L15-L19 HydrophobicContact CD2-CD1 3.87Å; L15-L19 HydrophobicContact CG-CD1 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.19Å; L15-L19 PolarHBondContact O-N 3.02Å; V16-L19 PolarHBondContact O-N 3.26Å; L19-G22 PolarHBondContact O-N 2.92Å; L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.44Å
20	S	65.1	Low	62.8	Low	75 Å²	75	103.3 Å²	103.3	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-63.4	-44.9	174.3	162.8	0	0	0	0	111.8	V16 C17 V18 S23 F24	V16-S20 VanDerWaalsContact O-CB 3.23Å; V16-S20 WeakPolarHBondContact O-CB 3.48Å; V16-S20 PolarHBondContact O-N 2.82Å; C17-S20 PolarHBondContact O-N 2.93Å; V18-S20 PolarHBondContact O-N 2.89Å; S20-S23 PolarHBondContact O-N 3.46Å; S20-F24 WeakPolarHBondContact O-CB 3.38Å; S20-F24 PolarHBondContact O-N 3.34Å
21	T	61.2	Low	61.1	Low	79 Å²	79	103.2 Å²	103.2	49%	0.485	57%	0.574	S	S	.	*	H	α-helix	trans	-67.3	-35.5	176.4	49.3	0	0	0	0	112.5	C17 V18 F24 F25	C17-T21 PolarHBondContact O-N 3.32Å; C17-T21 PolarHBondContact O-OG1 2.86Å; C17-T21 VanDerWaalsContact O-OG1 3.07Å; V18-T21 WeakPolarHBondContact CA-OG1 3.39Å; V18-T21 PolarHBondContact O-N 3.07Å; V18-T21 PolarHBondContact O-OG1 2.85Å; T21-F24 PolarHBondContact O-N 2.95Å; T21-F25 WeakPolarHBondContact O-CB 3.27Å; T21-F25 WeakPolarHBondContact O-CD2 3.47Å; T21-F25 PolarHBondContact O-N 2.8Å
22	G	63.3	Low	59.4	Low	34 Å²	34	104.7 Å²	104.7	35%	0.351	58%	0.583	S	S	.	*	H	α-helix	trans	-65.4	-42.1	174.9	0	0	0	0	0	112.7	V18 L19 F25 F26	V18-G22 PolarHBondContact O-N 2.98Å; L19-G22 PolarHBondContact O-N 2.92Å; G22-F25 PolarHBondContact O-N 3.48Å; G22-F26 PolarHBondContact O-N 2.85Å
23	S	55.4	Low	57.5	Low	75 Å²	75	111 Å²	111	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-65.3	-39.6	175.6	-170.3	0	0	0	0	112	L19 S20 F26 H27	L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.44Å; S20-S23 PolarHBondContact O-N 3.46Å; S23-F26 PolarHBondContact O-N 3.35Å; S23-H27 PolarHBondContact O-N 3.12Å
24	F	50.3	Low	55.5	Low	137 Å²	137	114.3 Å²	114.3	60%	0.601	61%	0.614	S	S	*	*	H	α-helix	trans	-69.2	-37.5	177.3	-162.1	-109.9	0	0	0	112.7	S20 T21 H27 L28	S20-F24 WeakPolarHBondContact O-CB 3.38Å; S20-F24 PolarHBondContact O-N 3.34Å; T21-F24 PolarHBondContact O-N 2.95Å; F24-H27 PolarHBondContact O-N 2.88Å; F24-L28 HydrophobicContact CD1-CD1 3.5Å; F24-L28 VanDerWaalsContact CD1-CD1 3.5Å; F24-L28 HydrophobicContact CE1-CD1 3.16Å; F24-L28 HydrophobicContact CE1-CG 4.38Å; F24-L28 HydrophobicContact CE2-CD1 4.36Å; F24-L28 HydrophobicContact CG-CD1 4.24Å; F24-L28 HydrophobicContact CZ-CD1 3.65Å; F24-L28 WeakPolarHBondContact O-CB 3.46Å; F24-L28 PolarHBondContact O-N 3.49Å
25	F	50	Low	53.3	Low	133 Å²	133	112.5 Å²	112.5	58%	0.583	62%	0.621	S	S	*	*	H	α-helix	trans	-68	-38.1	172.8	-97.9	-87.1	0	0	0	112.6	T21 G22 H27 L28 Y29	T21-F25 WeakPolarHBondContact O-CB 3.27Å; T21-F25 WeakPolarHBondContact O-CD2 3.47Å; T21-F25 PolarHBondContact O-N 2.8Å; G22-F25 PolarHBondContact O-N 3.48Å; F25-H27 VanDerWaalsContact C-N 3.31Å; F25-H27 PolarHBondContact O-N 3.27Å; F25-L28 PolarHBondContact O-N 2.91Å; F25-Y29 AromaticContact CD1-CD2 3.68Å; F25-Y29 HydrophobicContact CD1-CD2 3.68Å; F25-Y29 AromaticContact CD1-CE2 3.89Å; F25-Y29 HydrophobicContact CD1-CE2 3.89Å; F25-Y29 HydrophobicContact CE1-CD2 4.08Å; F25-Y29 AromaticContact CE1-CE2 3.81Å; F25-Y29 HydrophobicContact CE1-CE2 3.81Å; F25-Y29 WeakPolarHBondContact O-CB 3.02Å; F25-Y29 PolarHBondContact O-N 2.74Å
26	F	52.1	Low	51.2	Low	172 Å²	172	114.2 Å²	114.2	75%	0.754	63%	0.631	S	S	*	*	H	α-helix	trans	-62.9	-37.4	172.4	-106.2	-86.7	0	0	0	112.1	G22 S23 G30	G22-F26 PolarHBondContact O-N 2.85Å; S23-F26 PolarHBondContact O-N 3.35Å; F26-G30 WeakPolarHBondContact O-CA 3.14Å; F26-G30 PolarHBondContact O-N 3.02Å
27	H	49.6	Very low	49.3	Very low	168 Å²	168	118.3 Å²	118.3	78%	0.778	64%	0.644	S	S	*	*	H	α-helix	trans	-76.1	-31.6	179.8	-124.6	-54.4	0	0	0	113.9	S23 F24 F25	S23-H27 PolarHBondContact O-N 3.12Å; F24-H27 PolarHBondContact O-N 2.88Å; F25-H27 VanDerWaalsContact C-N 3.31Å; F25-H27 PolarHBondContact O-N 3.27Å
28	L	44.1	Very low	47.4	Very low	109 Å²	109	124.1 Å²	124.1	57%	0.571	67%	0.671	S	S	*	*	H	α-helix	trans	-86.9	-28.4	-179.7	-81.6	166.1	0	0	0	114	F24 F25	F24-L28 HydrophobicContact CD1-CD1 3.5Å; F24-L28 VanDerWaalsContact CD1-CD1 3.5Å; F24-L28 HydrophobicContact CE1-CD1 3.16Å; F24-L28 HydrophobicContact CE1-CG 4.38Å; F24-L28 HydrophobicContact CE2-CD1 4.36Å; F24-L28 HydrophobicContact CG-CD1 4.24Å; F24-L28 HydrophobicContact CZ-CD1 3.65Å; F24-L28 WeakPolarHBondContact O-CB 3.46Å; F24-L28 PolarHBondContact O-N 3.49Å; F25-L28 PolarHBondContact O-N 2.91Å
29	Y	47.3	Very low	45.2	Very low	172 Å²	172	125.1 Å²	125.1	68%	0.675	68%	0.678	S	S	*	*	H	α-helix	trans	-119.5	-8.1	-175.8	-68.8	-85.1	0	0	0	114.5	F25 G31	F25-Y29 AromaticContact CD1-CD2 3.68Å; F25-Y29 HydrophobicContact CD1-CD2 3.68Å; F25-Y29 AromaticContact CD1-CE2 3.89Å; F25-Y29 HydrophobicContact CD1-CE2 3.89Å; F25-Y29 HydrophobicContact CE1-CD2 4.08Å; F25-Y29 AromaticContact CE1-CE2 3.81Å; F25-Y29 HydrophobicContact CE1-CE2 3.81Å; F25-Y29 WeakPolarHBondContact O-CB 3.02Å; F25-Y29 PolarHBondContact O-N 2.74Å; Y29-G31 VanDerWaalsContact C-N 3.27Å; Y29-G31 PolarHBondContact O-N 3.05Å
30	G	40.9	Very low	43.4	Very low	54 Å²	54	128.2 Å²	128.2	56%	0.557	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	3	178.7	0	0	0	0	0	115.4	F26	F26-G30 WeakPolarHBondContact O-CA 3.14Å; F26-G30 PolarHBondContact O-N 3.02Å
31	G	38.3	Very low	41.7	Very low	67 Å²	67	128.8 Å²	128.8	69%	0.691	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	4.3	-176.5	0	0	0	0	0	116.4	Y29	Y29-G31 VanDerWaalsContact C-N 3.27Å; Y29-G31 PolarHBondContact O-N 3.05Å
32	N	38.1	Very low	40.3	Very low	151 Å²	151	132.5 Å²	132.5	81%	0.807	71%	0.713	S	S	*	*	S	Bend	trans	-152.9	36.5	-172.7	-108.5	-8.6	0	0	0	116.4
33	F	36.8	Very low	38.8	Very low	187 Å²	187	139.2 Å²	139.2	82%	0.82	74%	0.74	S	S	*	*			trans	-145.3	84.9	168.5	-94	-87.4	0	0	0	109.5
34	F	34.4	Very low	37.5	Very low	208 Å²	208	140.9 Å²	140.9	91%	0.912	75%	0.75	S	S	*	*			trans	179.8	92	143	-91.6	-65.1	0	0	0	107.3
35	G	28.8	Very low	36.5	Very low	69 Å²	69	139.7 Å²	139.7	71%	0.711	76%	0.756	S	S	*	*			trans	-74.4	147.4	156.4	0	0	0	0	0	109.5
36	N	31	Very low	35.5	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	77%	0.767	S	S	*	*	S	Bend	trans	71.7	124.4	175.1	-72.4	-0.9	0	0	0	118.1
37	E	36.8	Very low	34.7	Very low	182 Å²	182	140.2 Å²	140.2	85%	0.85	76%	0.762	S	S	*	*			trans	47.5	82.4	149.1	-65.4	-167	153.4	0	0	116.9
38	L	29	Very low	33.8	Very low	171 Å²	171	140.8 Å²	140.8	90%	0.895	76%	0.764	S	S	*	*			trans	-147	97.7	144.6	-102.8	137.5	0	0	0	108.9	L40	L38-L40 PolarHBondContact O-N 3.19Å
39	T	29.8	Very low	33.4	Very low	118 Å²	118	141.6 Å²	141.6	72%	0.724	77%	0.769	S	S	*	*			trans	-46.4	121.9	170.9	-17.1	0	0	0	0	110.3	S41	T39-S41 VanDerWaalsContact CB-OG 3.28Å; T39-S41 WeakPolarHBondContact CB-OG 3.47Å; T39-S41 VanDerWaalsContact CG2-OG 3.28Å; T39-S41 WeakPolarHBondContact CG2-OG 3.11Å; T39-S41 PolarHBondContact O-N 3.1Å
40	L	28.5	Very low	32.7	Very low	180 Å²	180	141 Å²	141	94%	0.942	78%	0.776	S	S	*	*			trans	-66.5	73.1	160.1	-88.7	155.5	0	0	0	108.4	L38 I42	L38-L40 PolarHBondContact O-N 3.19Å; L40-I42 VanDerWaalsContact C-N 3.34Å
41	S	30.4	Very low	32.3	Very low	87 Å²	87	148 Å²	148	61%	0.608	79%	0.791	S	S	*	*			trans	-98.3	39	177.3	-63.9	0	0	0	0	111.7	T39	T39-S41 VanDerWaalsContact CB-OG 3.28Å; T39-S41 WeakPolarHBondContact CB-OG 3.47Å; T39-S41 VanDerWaalsContact CG2-OG 3.28Å; T39-S41 WeakPolarHBondContact CG2-OG 3.11Å; T39-S41 PolarHBondContact O-N 3.1Å
42	I	32.3	Very low	32.1	Very low	158 Å²	158	149 Å²	149	81%	0.81	79%	0.787	S	S	*	*			trans	-129.3	76.4	173.1	-52.8	176.9	0	0	0	106.7	L40	L40-I42 VanDerWaalsContact C-N 3.34Å
43	L	30.7	Very low	32.4	Very low	174 Å²	174	147.1 Å²	147.1	91%	0.911	78%	0.784	S	S	*	*	S	Bend	trans	178.3	39.8	156.7	-95.1	172.4	0	0	0	110.6
44	C	28.1	Very low	33.2	Very low	110 Å²	110	140.9 Å²	140.9	74%	0.743	76%	0.761	S	S	*	*	S	Bend	trans	-149.9	126.8	164.8	-84.3	0	0	0	0	108.1	D46	C44-D46 PolarHBondContact O-N 3.07Å
45	P	30.7	Very low	34.4	Very low	112 Å²	112	133 Å²	133	73%	0.727	74%	0.735	S	S	*	*			trans	-68	132.8	171.2	19.7	-17.8	0	0	0	110.1	Y47	P45-Y47 PolarHBondContact O-N 2.93Å
46	D	29.1	Very low	36.3	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	72%	0.721	S	S	*	*			trans	-55.1	112.5	-178.4	-75.5	-52.2	0	0	0	112.7	C44 H48	C44-D46 PolarHBondContact O-N 3.07Å; D46-H48 PolarHBondContact O-N 3.12Å
47	Y	34.2	Very low	38.4	Very low	166 Å²	166	127.6 Å²	127.6	65%	0.651	69%	0.688	S	S	*	*			trans	-85.1	89.9	167.6	-85.6	-85	0	0	0	110.1	P45 L49	P45-Y47 PolarHBondContact O-N 2.93Å; Y47-L49 HydrophobicContact CD1-CD1 4.2Å; Y47-L49 PolarHBondContact O-N 3Å
48	H	30.6	Very low	39.9	Very low	180 Å²	180	121.8 Å²	121.8	83%	0.833	67%	0.667	S	S	*	*			trans	-78.5	87.1	159.1	-86.8	-76.3	0	0	0	109.8	D46	D46-H48 PolarHBondContact O-N 3.12Å
49	L	36.2	Very low	41.5	Very low	126 Å²	126	116.2 Å²	116.2	66%	0.66	64%	0.638	S	S	*	*			trans	-129.6	119.1	166.4	-94.4	159.4	0	0	0	109.4	Y47	Y47-L49 HydrophobicContact CD1-CD1 4.2Å; Y47-L49 PolarHBondContact O-N 3Å
50	L	32.5	Very low	42.9	Very low	159 Å²	159	115.8 Å²	115.8	83%	0.832	64%	0.637	S	S	*	*			trans	3.3	107.7	178.5	-81.6	117.3	0	0	0	116.8	S52	L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 3.17Å
51	K	31.8	Very low	43.5	Very low	202 Å²	202	115.1 Å²	115.1	88%	0.878	63%	0.629	S	S	*	*			trans	-72.4	81.9	164.8	-72.5	-179.6	177.9	179.1	0	109.5
52	S	34.2	Very low	44	Very low	87 Å²	87	116.4 Å²	116.4	61%	0.608	64%	0.635	S	S	*	*			trans	-88.3	117.1	145.4	-158.9	0	0	0	0	106.5	L50 V54	L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 3.17Å; S52-V54 PolarHBondContact O-N 3.39Å
53	P	44.1	Very low	44	Very low	113 Å²	113	116.8 Å²	116.8	73%	0.734	64%	0.638	S	S	*	*			trans	-60.7	136.3	164.8	26.9	-29.9	0	0	0	107.5
54	V	53.8	Low	44.2	Very low	55 Å²	55	116.5 Å²	116.5	33%	0.333	63%	0.632	S	S	.	*			trans	-92.5	109	170.1	177.7	0	0	0	0	105.5	S52 T174 K344 A345	S52-V54 PolarHBondContact O-N 3.39Å; V54-T174 HydrophobicContact CG1-CG2 3.19Å; V54-K344 HydrophobicContact CG2-CB 3.51Å; V54-K344 HydrophobicContact CG2-CD 4.32Å; V54-A345 HydrophobicContact CG1-CB 4.2Å
55	A	59.8	Low	44.2	Very low	44 Å²	44	117.3 Å²	117.3	36%	0.364	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-74.4	137.2	178.3	0	0	0	0	0	110.2	E154	A55-E154 HydrophobicContact CB-CG 4.45Å; A55-E154 WeakPolarHBondContact CB-OE1 3.41Å
56	M	69.9	Low	44.6	Very low	87 Å²	87	120.1 Å²	120.1	43%	0.429	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-79	123.5	163.9	-167.8	-175.7	-45.6	0	0	107.6	W173	M56-W173 HydrophobicContact CE-CH2 4.29Å; M56-W173 HydrophobicContact CE-CZ3 3.69Å
57	V	73.9	Confident	44.9	Very low	18 Å²	18	120.5 Å²	120.5	11%	0.109	64%	0.637	C	S	.	*	P	Polyproline II helix	trans	-87.9	124.7	174.8	-178.3	0	0	0	0	107.6	L107 T174 F175 H178	V57-L107 HydrophobicContact CG1-CD1 4.45Å; V57-L107 HydrophobicContact CG1-CD2 3.39Å; V57-T174 PolarHBondContact N-O 3.13Å; V57-F175 HydrophobicContact CB-CD1 4.4Å; V57-F175 HydrophobicContact CB-CE1 4.24Å; V57-F175 HydrophobicContact CB-CE2 4.38Å; V57-F175 HydrophobicContact CB-CZ 4.23Å; V57-F175 HydrophobicContact CG1-CE1 4.24Å; V57-F175 HydrophobicContact CG2-CD2 4.23Å; V57-F175 HydrophobicContact CG2-CE1 4.11Å; V57-F175 HydrophobicContact CG2-CE2 3.68Å; V57-F175 HydrophobicContact CG2-CZ 3.62Å; V57-H178 PolarHBondContact O-CE1 2.82Å; V57-H178 PolarHBondContact O-ND1 3.33Å
58	C	67.8	Low	44.9	Very low	61 Å²	61	117.5 Å²	117.5	41%	0.412	65%	0.646	S	S	.	*			trans	-120.1	148.7	-176.6	-67.5	0	0	0	0	110.7	H178	C58-H178 HydrophobicContact CB-CB 4.43Å
59	L	63.3	Low	45.1	Very low	53 Å²	53	113.8 Å²	113.8	28%	0.277	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-57	139.4	163.6	-74.4	170.5	0	0	0	110.2	H61 Q106 L107 L179	L59-H61 PolarHBondContact O-N 3.16Å; L59-H61 VanDerWaalsContact O-N 3.15Å; L59-Q106 HydrophobicContact CD2-CB 4.47Å; L59-L107 HydrophobicContact CD2-CB 4.24Å; L59-L107 HydrophobicContact CD2-CD1 3.94Å; L59-L179 HydrophobicContact CD1-CD2 3.73Å
60	P	58.8	Low	45.2	Very low	110 Å²	110	114.4 Å²	114.4	71%	0.714	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-58.4	122.3	170.9	23.1	-30.6	0	0	0	108.8
61	H	42	Very low	45.3	Very low	165 Å²	165	111.8 Å²	111.8	76%	0.764	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-64	135.3	176.2	-80	48.5	0	0	0	109.1	L59 L63	L59-H61 PolarHBondContact O-N 3.16Å; L59-H61 VanDerWaalsContact O-N 3.15Å; H61-L63 PolarHBondContact O-N 3Å
62	P	41.1	Very low	45.4	Very low	115 Å²	115	107.5 Å²	107.5	75%	0.747	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-61.2	124	165.3	-0.3	9.1	0	0	0	108	Q64	P62-Q64 PolarHBondContact O-N 3.4Å
63	L	31.3	Very low	45.7	Very low	165 Å²	165	109.2 Å²	109.2	86%	0.864	65%	0.651	S	S	*	*			trans	-55	110.5	168.8	-75.1	164.3	0	0	0	107.8	H61 T65	H61-L63 PolarHBondContact O-N 3Å; L63-T65 VanDerWaalsContact C-N 3.32Å; L63-T65 PolarHBondContact O-N 3.49Å
64	Q	34.8	Very low	45.4	Very low	169 Å²	169	115.3 Å²	115.3	79%	0.79	66%	0.659	S	S	*	*			trans	-69.4	91	174.3	-78.1	-179.2	-0.1	0	0	109	P62 F66	P62-Q64 PolarHBondContact O-N 3.4Å; Q64-F66 PolarHBondContact O-N 3Å
65	T	28.6	Very low	44.9	Very low	127 Å²	127	121.5 Å²	121.5	78%	0.779	68%	0.684	S	S	*	*			trans	-78.6	107.8	159.7	50.8	0	0	0	0	107.9	L63	L63-T65 VanDerWaalsContact C-N 3.32Å; L63-T65 PolarHBondContact O-N 3.49Å
66	F	38.2	Very low	44.5	Very low	171 Å²	171	124.3 Å²	124.3	75%	0.75	70%	0.701	S	S	*	*			trans	-62.1	134.7	166.6	-80.7	-90.9	0	0	0	109.3	Q64	Q64-F66 PolarHBondContact O-N 3Å
67	N	36.1	Very low	43.9	Very low	157 Å²	157	125.2 Å²	125.2	84%	0.84	72%	0.716	S	S	*	*			trans	95.3	86.6	174	-56.9	-20.9	0	0	0	117.7
68	A	33.4	Very low	43.6	Very low	103 Å²	103	128.1 Å²	128.1	85%	0.851	74%	0.737	S	S	*	*				-170.3	148.1	126.7	0	0	0	0	0	110.1
69	S	35	Very low	44.2	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	74%	0.74	S	S	*	*			trans	-45.4	161.2	-178.2	-50.9	0	0	0	0	116	S71	S69-S71 PolarHBondContact O-N 3.33Å
70	P	39.2	Very low	45.3	Very low	139 Å²	139	131.7 Å²	131.7	90%	0.903	76%	0.76	S	S	*	*			trans	-76.3	85.5	-172.1	32.6	-33.2	0	0	0	110.9
71	S	33.9	Very low	46.8	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	74%	0.736	S	S	*	*			trans	-75	138.3	155.6	54.9	0	0	0	0	108.7	S69	S69-S71 PolarHBondContact O-N 3.33Å
72	C	34.8	Very low	49.3	Very low	113 Å²	113	120.5 Å²	120.5	76%	0.764	71%	0.705	S	S	*	*			trans	-30	135.4	173.1	-88.3	0	0	0	0	112.5	R74	C72-R74 PolarHBondContact O-N 2.87Å
73	P	39.6	Very low	52	Low	123 Å²	123	115 Å²	115	80%	0.799	67%	0.669	S	S	*	*			trans	-58.7	112.6	176	26	-32	0	0	0	107.4	Q75	P73-Q75 PolarHBondContact O-N 2.88Å
74	R	38.2	Very low	55.2	Low	241 Å²	241	107.1 Å²	107.1	91%	0.909	63%	0.628	S	S	*	*			trans	-57.5	109.4	167.6	-77.1	-177.9	-176.7	-173.1	0.8	105.4	C72 S76	C72-R74 PolarHBondContact O-N 2.87Å; R74-S76 PolarHBondContact O-N 3.31Å
75	Q	42.9	Very low	58.2	Low	185 Å²	185	99.1 Å²	99.1	86%	0.864	59%	0.591	S	S	*	*			trans	-51.6	114.7	162.8	-81.5	171.1	-33.3	0	0	105.8	P73 S77	P73-Q75 PolarHBondContact O-N 2.88Å; Q75-S77 PolarHBondContact O-N 3.45Å
76	S	50.7	Low	61.5	Low	103 Å²	103	95.4 Å²	95.4	72%	0.72	57%	0.568	S	S	*	*			trans	-43.9	116.2	160.7	166.8	0	0	0	0	106.3	R74 S78	R74-S76 PolarHBondContact O-N 3.31Å; S76-S78 PolarHBondContact O-N 2.85Å
77	S	58.6	Low	64.3	Low	105 Å²	105	88.5 Å²	88.5	73%	0.734	54%	0.54	S	S	*	.			trans	-57.2	107.6	178.2	51.5	0	0	0	0	107.1	Q75 L79	Q75-S77 PolarHBondContact O-N 3.45Å; S77-L79 PolarHBondContact O-N 3.48Å
78	S	68	Low	67.2	Low	80 Å²	80	82.7 Å²	82.7	56%	0.559	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-54	133.5	176.2	55.8	0	0	0	0	108	S76	S76-S78 PolarHBondContact O-N 2.85Å
79	L	80.4	Confident	70.2	Confident	89 Å²	89	79.9 Å²	79.9	47%	0.466	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-62.1	147.5	173.3	-62	173.4	0	0	0	108.6	S77 G109	S77-L79 PolarHBondContact O-N 3.48Å; L79-G109 PolarHBondContact N-O 2.72Å
80	S	85	Confident	73.1	Confident	100 Å²	100	80.2 Å²	80.2	70%	0.699	48%	0.481	S	S	*	.	S	Bend	trans	-61	153.1	177.6	59	0	0	0	0	111.5	R110	S80-R110 PolarHBondContact O-NH1 2.9Å
81	G	90.7	Very high	75.9	Confident	20 Å²	20	74.1 Å²	74.1	21%	0.206	44%	0.44	C	S	.	.	S	Bend	trans	104.5	-176.2	-175.8	0	0	0	0	0	112.9	P111 P162	G81-P111 WeakPolarHBondContact O-CD 3.44Å; G81-P162 CarbonylContact C-O 3.58Å; G81-P162 WeakPolarHBondContact CA-O 3.35Å
82	T	94.7	Very high	78.9	Confident	19 Å²	19	69.3 Å²	69.3	12%	0.117	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	145.2	-176.3	-127.4	0	0	0	0	109.9	F113 W143 P162 F163	T82-F113 HydrophobicContact CG2-CD2 4.16Å; T82-F113 WeakPolarHBondContact OG1-CD2 3.29Å; T82-F113 WeakPolarHBondContact OG1-CE2 3.33Å; T82-W143 HydrophobicContact CG2-CH2 3.45Å; T82-W143 VanDerWaalsContact CG2-CH2 3.45Å; T82-W143 HydrophobicContact CG2-CZ2 4.43Å; T82-W143 HydrophobicContact CG2-CZ3 4.05Å; T82-W143 VanDerWaalsContact O-CZ3 3.28Å; T82-W143 WeakPolarHBondContact O-CZ3 3.41Å; T82-P162 PolarHBondContact N-O 3.04Å; T82-F163 WeakPolarHBondContact O-CA 3.32Å
83	W	97.6	Very high	81.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149	176.5	-68.2	4.1	0	0	0	111.6	L101 L104 A105 N108 R110 P111 A112 F113 L159 D161 L164	W83-L101 HydrophobicContact CB-CD1 4.12Å; W83-L104 HydrophobicContact CE3-CB 4.41Å; W83-L104 HydrophobicContact CZ3-CB 3.95Å; W83-L104 WeakPolarHBondContact CZ3-O 3.37Å; W83-A105 HydrophobicContact CE3-CB 4.25Å; W83-N108 HydrophobicContact CH2-CB 3.3Å; W83-N108 WeakPolarHBondContact CH2-ND2 3.34Å; W83-N108 HydrophobicContact CZ2-CB 3.94Å; W83-N108 HydrophobicContact CZ3-CB 3.88Å; W83-R110 HydrophobicContact CD2-CB 4.06Å; W83-R110 HydrophobicContact CD2-CG 4.03Å; W83-R110 HydrophobicContact CG-CB 4.17Å; W83-R110 HydrophobicContact CG-CG 4.4Å; W83-R110 HydrophobicContact CH2-CG 4.39Å; W83-R110 HydrophobicContact CZ2-CG 3.79Å; W83-P111 PolarHBondContact N-O 3.22Å; W83-A112 WeakPolarHBondContact O-CA 3.5Å; W83-F113 PolarHBondContact O-N 2.82Å; W83-L159 HydrophobicContact CH2-CB 3.61Å; W83-L159 HydrophobicContact CH2-CD1 3.71Å; W83-L159 HydrophobicContact CH2-CG 4.18Å; W83-L159 HydrophobicContact CZ2-CB 3.76Å; W83-L159 HydrophobicContact CZ2-CD1 4.36Å; W83-L159 HydrophobicContact CZ3-CD1 4.11Å; W83-D161 PolarHBondContact NE1-O 2.89Å; W83-L164 WeakPolarHBondContact CA-O 3.16Å; W83-L164 HydrophobicContact CD2-CB 4.13Å; W83-L164 HydrophobicContact CD2-CD1 4.1Å; W83-L164 HydrophobicContact CG-CB 3.91Å; W83-L164 HydrophobicContact CH2-CD1 4.08Å; W83-L164 HydrophobicContact CZ2-CD1 3.56Å; W83-L164 HydrophobicContact CZ2-CG 4.39Å
84	T	98.4	Very high	84.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	172.1	172	-164.6	0	0	0	0	110.5	F113 L133 W143 L164 K165 L166	T84-F113 WeakPolarHBondContact CA-O 3.27Å; T84-F113 VanDerWaalsContact CB-O 3.25Å; T84-F113 WeakPolarHBondContact CB-O 3.41Å; T84-F113 PolarHBondContact OG1-O 3.34Å; T84-L133 HydrophobicContact CG2-CD2 4.07Å; T84-W143 HydrophobicContact CG2-CE3 4.45Å; T84-W143 HydrophobicContact CG2-CH2 3.67Å; T84-W143 HydrophobicContact CG2-CZ2 3.89Å; T84-W143 HydrophobicContact CG2-CZ3 3.99Å; T84-L164 PolarHBondContact N-O 3.26Å; T84-K165 HydrophobicContact CG2-CB 4.22Å; T84-K165 HydrophobicContact CG2-CD 4.11Å; T84-K165 HydrophobicContact CG2-CG 3.82Å; T84-L166 WeakPolarHBondContact O-CB 3.24Å; T84-L166 WeakPolarHBondContact O-CG 3.4Å; T84-L166 PolarHBondContact O-N 3.16Å
85	I	98.3	Very high	87.6	Confident	0 Å²	0	49 Å²	49	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133	175.3	-169.5	156.3	0	0	0	109.5	P87 Q97 L101 M118 L148 L166 P170	I85-P87 WeakPolarHBondContact O-CD 3.44Å; I85-Q97 HydrophobicContact CD1-CB 3.7Å; I85-Q97 HydrophobicContact CD1-CG 3.88Å; I85-Q97 HydrophobicContact CG1-CB 4.18Å; I85-Q97 HydrophobicContact CG1-CG 4.36Å; I85-Q97 HydrophobicContact CG2-CB 4.16Å; I85-L101 HydrophobicContact CB-CB 4.38Å; I85-L101 HydrophobicContact CB-CD2 4.46Å; I85-L101 HydrophobicContact CG2-CB 4Å; I85-L101 HydrophobicContact CG2-CD2 3.87Å; I85-L101 HydrophobicContact CG2-CG 4.44Å; I85-M118 HydrophobicContact CG2-CE 3.52Å; I85-M118 HydrophobicContact CG2-SD 4.37Å; I85-L148 HydrophobicContact CD1-CD1 4.43Å; I85-L166 WeakPolarHBondContact CA-O 3.28Å; I85-L166 HydrophobicContact CB-CB 3.97Å; I85-L166 HydrophobicContact CD1-CB 3.92Å; I85-L166 HydrophobicContact CG1-CB 3.79Å; I85-P170 HydrophobicContact CD1-CG 4.15Å
86	T	98	Very high	90.2	Very high	50 Å²	50	40.1 Å²	40.1	31%	0.307	26%	0.26	S	S	.	.			trans	-70.8	116.7	174.6	-56.9	0	0	0	0	109.2	A88 Q97 L166	T86-A88 PolarHBondContact O-N 3.44Å; T86-Q97 PolarHBondContact O-NE2 3.16Å; T86-Q97 VanDerWaalsContact O-NE2 3.16Å; T86-L166 PolarHBondContact N-O 3.22Å
87	P	97.5	Very high	92.4	Very high	25 Å²	25	35.2 Å²	35.2	16%	0.162	23%	0.226	C	C	.	.			trans	-67.2	134.1	179	25.4	-25.8	0	0	0	109.9	I85 Q94 Q115 E117 M118	I85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-Q94 HydrophobicContact CB-CG 4.41Å; P87-Q115 HydrophobicContact CG-CB 4.25Å; P87-E117 HydrophobicContact CG-CB 3.86Å; P87-M118 HydrophobicContact CB-CB 4.01Å; P87-M118 HydrophobicContact CB-CE 4Å; P87-M118 HydrophobicContact CG-CB 4.31Å
88	A	97	Very high	94.4	Very high	35 Å²	35	30.2 Å²	30.2	29%	0.289	19%	0.191	S	C	.	.			trans	-146.5	151.6	178.2	0	0	0	0	0	110.6	T86 N93 Q97 F169	T86-A88 PolarHBondContact O-N 3.44Å; A88-N93 WeakPolarHBondContact O-CB 3.23Å; A88-Q97 PolarHBondContact O-OE1 2.9Å; A88-F169 HydrophobicContact CB-CE1 3.69Å; A88-F169 HydrophobicContact CB-CZ 4.05Å
89	G	95.4	Very high	95.8	Very high	45 Å²	45	26.4 Å²	26.4	46%	0.464	16%	0.164	S	C	.	.	S	Bend	trans	73.8	-165.4	-179	0	0	0	0	0	113	Q94	G89-Q94 PolarHBondContact O-NE2 3.32Å
90	R	95.6	Very high	96.5	Very high	109 Å²	109	22.2 Å²	22.2	41%	0.411	14%	0.142	S	C	.	.	S	Bend	trans	-91.2	-176.4	-174.4	-63.2	-173.5	-178.3	151.9	10.8	111.1	G92 N93 Q94 D225 E289	R90-G92 PolarHBondContact O-N 2.93Å; R90-N93 PolarHBondContact N-OD1 2.96Å; R90-N93 WeakPolarHBondContact O-CB 3.02Å; R90-N93 PolarHBondContact O-N 2.92Å; R90-Q94 PolarHBondContact O-N 2.89Å; R90-Q94 VanDerWaalsContact O-N 3.16Å; R90-D225 IonicContact CZ-OD1 3.71Å; R90-D225 IonicContact NH1-OD1 2.71Å; R90-D225 PolarHBondContact NH1-OD1 2.99Å; R90-D225 IonicContact NH2-OD1 3.06Å; R90-E289 IonicContact CZ-OE1 3.64Å; R90-E289 IonicContact CZ-OE2 3.48Å; R90-E289 IonicContact NH1-OE1 3.7Å; R90-E289 PolarHBondContact NH1-OE1 3.04Å; R90-E289 IonicContact NH1-OE2 3.49Å; R90-E289 PolarHBondContact NH1-OE2 3.36Å
91	F	97.9	Very high	97.1	Very high	11 Å²	11	17.4 Å²	17.4	5%	0.048	11%	0.109	C	C	.	.	H	α-helix	trans	-41.4	-54.5	-175.4	-172.7	-102.3	0	0	0	115.1	N93 Q94 M95 T121 L122 V125 F126 P292 F296 F312	F91-N93 VanDerWaalsContact C-N 3.33Å; F91-N93 PolarHBondContact O-N 3.32Å; F91-Q94 PolarHBondContact O-N 2.75Å; F91-M95 HydrophobicContact CD1-SD 3.91Å; F91-M95 HydrophobicContact CE1-CG 4.35Å; F91-M95 HydrophobicContact CE1-SD 3.48Å; F91-M95 WeakPolarHBondContact CE1-SD 3.44Å; F91-M95 HydrophobicContact CZ-SD 4.13Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 3.44Å; F91-T121 HydrophobicContact CD2-CG2 4.07Å; F91-L122 HydrophobicContact CD2-CD2 4.05Å; F91-L122 HydrophobicContact CE2-CD2 3.88Å; F91-L122 HydrophobicContact CZ-CD2 4.48Å; F91-V125 HydrophobicContact CE2-CB 4.03Å; F91-V125 HydrophobicContact CE2-CG1 4.47Å; F91-V125 HydrophobicContact CE2-CG2 3.65Å; F91-V125 HydrophobicContact CZ-CB 3.93Å; F91-V125 HydrophobicContact CZ-CG1 3.88Å; F91-V125 HydrophobicContact CZ-CG2 3.88Å; F91-F126 AromaticContact CE1-CE2 3.93Å; F91-F126 HydrophobicContact CE1-CE2 3.93Å; F91-F126 HydrophobicContact CE1-CZ 4.01Å; F91-F126 HydrophobicContact CE2-CE2 4.05Å; F91-F126 HydrophobicContact CZ-CD2 4.18Å; F91-F126 AromaticContact CZ-CE2 3.26Å; F91-F126 HydrophobicContact CZ-CE2 3.26Å; F91-F126 AromaticContact CZ-CZ 3.61Å; F91-F126 HydrophobicContact CZ-CZ 3.61Å; F91-P292 HydrophobicContact CB-CG 3.83Å; F91-P292 HydrophobicContact CD1-CG 4.28Å; F91-P292 HydrophobicContact CD2-CG 3.81Å; F91-P292 HydrophobicContact CE2-CG 4.44Å; F91-P292 HydrophobicContact CG-CG 3.72Å; F91-F296 HydrophobicContact CD1-CD2 4.27Å; F91-F296 HydrophobicContact CE1-CB 4.27Å; F91-F296 HydrophobicContact CE1-CD1 4.08Å; F91-F296 AromaticContact CE1-CD2 3.79Å; F91-F296 HydrophobicContact CE1-CD2 3.79Å; F91-F296 HydrophobicContact CE1-CE1 4.4Å; F91-F296 HydrophobicContact CE1-CE2 4.11Å; F91-F296 AromaticContact CE1-CG 3.76Å; F91-F296 HydrophobicContact CE1-CG 3.76Å; F91-F296 HydrophobicContact CE1-CZ 4.41Å; F91-F312 AromaticContact CD1-CD2 3.89Å; F91-F312 HydrophobicContact CD1-CD2 3.89Å; F91-F312 AromaticContact CD1-CE2 3.74Å; F91-F312 HydrophobicContact CD1-CE2 3.74Å; F91-F312 HydrophobicContact CE1-CE2 4.33Å
92	G	97.6	Very high	97.5	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-65.5	-31.7	-179.2	0	0	0	0	0	114.2	R90 M95 G96 T311 W315	R90-G92 PolarHBondContact O-N 2.93Å; G92-M95 PolarHBondContact O-N 2.9Å; G92-G96 PolarHBondContact O-N 2.97Å; G92-T311 WeakPolarHBondContact CA-OG1 3.49Å; G92-W315 VanDerWaalsContact O-CD1 3.23Å; G92-W315 PolarHBondContact O-NE1 3.37Å
93	N	97.8	Very high	97.5	Very high	33 Å²	33	16 Å²	16	18%	0.176	10%	0.095	C	C	.	.	H	α-helix	trans	-66.3	-43.9	174.5	-65.7	99.1	0	0	0	110.5	A88 R90 F91 M95 G96 Q97 F169 T311	A88-N93 WeakPolarHBondContact O-CB 3.23Å; R90-N93 PolarHBondContact N-OD1 2.96Å; R90-N93 WeakPolarHBondContact O-CB 3.02Å; R90-N93 PolarHBondContact O-N 2.92Å; F91-N93 VanDerWaalsContact C-N 3.33Å; F91-N93 PolarHBondContact O-N 3.32Å; N93-M95 VanDerWaalsContact C-N 3.31Å; N93-M95 PolarHBondContact O-N 3.32Å; N93-G96 WeakPolarHBondContact O-CA 3.36Å; N93-G96 PolarHBondContact O-N 2.77Å; N93-Q97 WeakPolarHBondContact O-CG 3.49Å; N93-Q97 PolarHBondContact O-N 3.36Å; N93-F169 HydrophobicContact CB-CD1 3.97Å; N93-F169 HydrophobicContact CB-CE1 4.48Å; N93-F169 WeakPolarHBondContact ND2-CD1 3.3Å; N93-T311 PolarHBondContact N-OG1 3.11Å; N93-T311 VanDerWaalsContact N-OG1 3.12Å
94	Q	98.3	Very high	97.3	Very high	17 Å²	17	16 Å²	16	8%	0.079	10%	0.095	C	C	.	.	H	α-helix	trans	-67.4	-32.2	179.6	-63.2	-168.3	38.3	0	0	112.4	P87 G89 R90 F91 G96 Q97 Y98 T121 L122	P87-Q94 HydrophobicContact CB-CG 4.41Å; G89-Q94 PolarHBondContact O-NE2 3.32Å; R90-Q94 PolarHBondContact O-N 2.89Å; R90-Q94 VanDerWaalsContact O-N 3.16Å; F91-Q94 PolarHBondContact O-N 2.75Å; Q94-G96 VanDerWaalsContact C-N 3.34Å; Q94-Q97 PolarHBondContact O-N 3.06Å; Q94-Y98 VanDerWaalsContact O-CB 3.3Å; Q94-Y98 WeakPolarHBondContact O-CB 3.27Å; Q94-Y98 PolarHBondContact O-N 2.67Å; Q94-T121 PolarHBondContact NE2-OG1 3.13Å; Q94-T121 PolarHBondContact OE1-OG1 3.36Å; Q94-L122 HydrophobicContact CB-CD1 4.44Å; Q94-L122 HydrophobicContact CB-CD2 4.25Å; Q94-L122 HydrophobicContact CB-CG 4.41Å
95	M	98.5	Very high	97.2	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.9	-42.6	168.5	-65.8	-178.3	71.6	0	0	111.9	F91 G92 N93 Y98 A99 L122 F126 F187 F296 W315 L319	F91-M95 HydrophobicContact CD1-SD 3.91Å; F91-M95 HydrophobicContact CE1-CG 4.35Å; F91-M95 HydrophobicContact CE1-SD 3.48Å; F91-M95 WeakPolarHBondContact CE1-SD 3.44Å; F91-M95 HydrophobicContact CZ-SD 4.13Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 3.44Å; G92-M95 PolarHBondContact O-N 2.9Å; N93-M95 VanDerWaalsContact C-N 3.31Å; N93-M95 PolarHBondContact O-N 3.32Å; M95-Y98 PolarHBondContact O-N 2.88Å; M95-A99 WeakPolarHBondContact O-CB 3.41Å; M95-A99 PolarHBondContact O-N 3.41Å; M95-L122 HydrophobicContact CG-CD2 3.78Å; M95-F126 HydrophobicContact CE-CE2 3.64Å; M95-F126 HydrophobicContact CE-CZ 3.57Å; M95-F126 HydrophobicContact CG-CE2 4.1Å; M95-F126 HydrophobicContact SD-CE2 3.77Å; M95-F126 HydrophobicContact SD-CZ 3.94Å; M95-F187 HydrophobicContact CB-CE2 4.45Å; M95-F187 HydrophobicContact CB-CZ 4.09Å; M95-F187 HydrophobicContact CE-CB 4.41Å; M95-F187 HydrophobicContact CE-CD1 4.15Å; M95-F187 HydrophobicContact CE-CD2 3.74Å; M95-F187 HydrophobicContact CE-CE1 4.36Å; M95-F187 HydrophobicContact CE-CE2 3.96Å; M95-F187 HydrophobicContact CE-CG 3.85Å; M95-F187 HydrophobicContact CE-CZ 4.27Å; M95-F187 HydrophobicContact CG-CE1 4.49Å; M95-F187 HydrophobicContact CG-CZ 4.43Å; M95-F296 HydrophobicContact CE-CE1 4.03Å; M95-F296 HydrophobicContact CE-CZ 3.65Å; M95-F296 HydrophobicContact SD-CE1 4.25Å; M95-F296 HydrophobicContact SD-CE2 3.99Å; M95-F296 HydrophobicContact SD-CZ 3.67Å; M95-W315 HydrophobicContact CB-CD2 3.86Å; M95-W315 HydrophobicContact CB-CG 3.82Å; M95-W315 HydrophobicContact CB-CZ2 4.39Å; M95-W315 HydrophobicContact CE-CB 3.78Å; M95-W315 HydrophobicContact CE-CD2 3.86Å; M95-W315 HydrophobicContact CE-CE3 3.87Å; M95-W315 HydrophobicContact CE-CG 3.84Å; M95-W315 WeakPolarHBondContact O-CZ2 3.02Å; M95-W315 HydrophobicContact SD-CB 3.79Å; M95-W315 HydrophobicContact SD-CD2 4.45Å; M95-W315 HydrophobicContact SD-CG 3.91Å; M95-L319 HydrophobicContact CE-CD1 3.8Å
96	G	97.8	Very high	97	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-49	174.3	0	0	0	0	0	112.7	G92 N93 Q94 A99 T100 P170 W315	G92-G96 PolarHBondContact O-N 2.97Å; N93-G96 WeakPolarHBondContact O-CA 3.36Å; N93-G96 PolarHBondContact O-N 2.77Å; Q94-G96 VanDerWaalsContact C-N 3.34Å; G96-A99 PolarHBondContact O-N 2.92Å; G96-T100 VanDerWaalsContact O-CB 3.25Å; G96-T100 WeakPolarHBondContact O-CB 3.42Å; G96-T100 PolarHBondContact O-N 2.66Å; G96-T100 PolarHBondContact O-OG1 3.4Å; G96-P170 CarbonylContact C-O 3.57Å; G96-P170 VanDerWaalsContact CA-O 3.22Å; G96-P170 WeakPolarHBondContact CA-O 3.45Å; G96-W315 VanDerWaalsContact N-NE1 3.15Å
97	Q	98.3	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-44.1	177.1	-68.8	174.5	-35.8	0	0	112.1	I85 T86 A88 N93 Q94 T100 L101 M118 G168 P170	I85-Q97 HydrophobicContact CD1-CB 3.7Å; I85-Q97 HydrophobicContact CD1-CG 3.88Å; I85-Q97 HydrophobicContact CG1-CB 4.18Å; I85-Q97 HydrophobicContact CG1-CG 4.36Å; I85-Q97 HydrophobicContact CG2-CB 4.16Å; T86-Q97 PolarHBondContact O-NE2 3.16Å; T86-Q97 VanDerWaalsContact O-NE2 3.16Å; A88-Q97 PolarHBondContact O-OE1 2.9Å; N93-Q97 WeakPolarHBondContact O-CG 3.49Å; N93-Q97 PolarHBondContact O-N 3.36Å; Q94-Q97 PolarHBondContact O-N 3.06Å; Q97-T100 PolarHBondContact O-N 3.03Å; Q97-L101 WeakPolarHBondContact O-CB 3.3Å; Q97-L101 PolarHBondContact O-N 3.39Å; Q97-M118 HydrophobicContact CB-CE 3.7Å; Q97-G168 PolarHBondContact NE2-O 3.38Å; Q97-P170 HydrophobicContact CG-CG 4.32Å
98	Y	98.6	Very high	96.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-53.2	176.8	-176.2	-78.3	0	0	0	111.7	Q94 M95 T100 L101 L102 I114 M118 L122 I128 S129 L130 E186 F187	Q94-Y98 VanDerWaalsContact O-CB 3.3Å; Q94-Y98 WeakPolarHBondContact O-CB 3.27Å; Q94-Y98 PolarHBondContact O-N 2.67Å; M95-Y98 PolarHBondContact O-N 2.88Å; Y98-T100 VanDerWaalsContact C-N 3.27Å; Y98-T100 PolarHBondContact O-N 3.37Å; Y98-L101 PolarHBondContact O-N 3.31Å; Y98-L102 HydrophobicContact CE1-CD2 4.49Å; Y98-L102 WeakPolarHBondContact O-CB 3.33Å; Y98-L102 PolarHBondContact O-N 3.29Å; Y98-I114 HydrophobicContact CD2-CG2 3.81Å; Y98-I114 HydrophobicContact CE2-CD1 4.24Å; Y98-I114 HydrophobicContact CE2-CG2 3.91Å; Y98-M118 HydrophobicContact CD2-SD 4.01Å; Y98-L122 HydrophobicContact CD2-CD1 3.95Å; Y98-L122 HydrophobicContact CG-CD1 4.14Å; Y98-I128 HydrophobicContact CD2-CG2 4.4Å; Y98-I128 HydrophobicContact CE1-CG2 4.35Å; Y98-I128 HydrophobicContact CE2-CB 3.77Å; Y98-I128 HydrophobicContact CE2-CD1 4.13Å; Y98-I128 HydrophobicContact CE2-CG1 4.49Å; Y98-I128 HydrophobicContact CE2-CG2 3.83Å; Y98-S129 PolarHBondContact OH-N 3.44Å; Y98-S129 VanDerWaalsContact OH-N 3.16Å; Y98-L130 HydrophobicContact CD2-CD1 4.28Å; Y98-L130 HydrophobicContact CE1-CD1 4.21Å; Y98-L130 HydrophobicContact CE1-CG 4.44Å; Y98-L130 HydrophobicContact CE2-CB 3.89Å; Y98-L130 HydrophobicContact CE2-CD1 3.83Å; Y98-L130 HydrophobicContact CE2-CG 4.07Å; Y98-L130 WeakPolarHBondContact OH-CB 3.16Å; Y98-L130 WeakPolarHBondContact OH-CG 3.28Å; Y98-L130 PolarHBondContact OH-N 2.86Å; Y98-E186 HydrophobicContact CE1-CB 3.88Å; Y98-E186 HydrophobicContact CE1-CG 3.95Å; Y98-E186 PolarHBondContact OH-OE2 3.2Å; Y98-F187 AromaticContact CD1-CE1 3.8Å; Y98-F187 HydrophobicContact CD1-CE1 3.8Å; Y98-F187 AromaticContact CD1-CZ 3.73Å; Y98-F187 HydrophobicContact CD1-CZ 3.73Å; Y98-F187 HydrophobicContact CE1-CE1 4.34Å; Y98-F187 HydrophobicContact CG-CE1 4.17Å; Y98-F187 HydrophobicContact CG-CZ 4.23Å
99	A	98.1	Very high	96.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-39	-178.9	0	0	0	0	0	111.8	M95 G96 A103 F176 I183 F187 W315	M95-A99 WeakPolarHBondContact O-CB 3.41Å; M95-A99 PolarHBondContact O-N 3.41Å; G96-A99 PolarHBondContact O-N 2.92Å; A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.4Å; A99-F176 HydrophobicContact CB-CB 4.28Å; A99-F176 HydrophobicContact CB-CD1 3.98Å; A99-F176 HydrophobicContact CB-CE1 4.46Å; A99-F176 HydrophobicContact CB-CG 4.07Å; A99-I183 HydrophobicContact CB-CD1 3.7Å; A99-F187 HydrophobicContact CB-CE2 4.4Å; A99-W315 HydrophobicContact CB-CH2 3.47Å; A99-W315 VanDerWaalsContact CB-CH2 3.47Å; A99-W315 HydrophobicContact CB-CZ2 3.68Å
100	T	96.3	Very high	96.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.8	-47.3	177.2	-61	0	0	0	0	111.8	G96 Q97 Y98 L102 A103 L104 L148 M152 P170	G96-T100 VanDerWaalsContact O-CB 3.25Å; G96-T100 WeakPolarHBondContact O-CB 3.42Å; G96-T100 PolarHBondContact O-N 2.66Å; G96-T100 PolarHBondContact O-OG1 3.4Å; Q97-T100 PolarHBondContact O-N 3.03Å; Y98-T100 VanDerWaalsContact C-N 3.27Å; Y98-T100 PolarHBondContact O-N 3.37Å; T100-L102 VanDerWaalsContact C-N 3.32Å; T100-L102 PolarHBondContact O-N 3.07Å; T100-A103 PolarHBondContact O-N 2.73Å; T100-L104 HydrophobicContact CG2-CD1 3.89Å; T100-L104 HydrophobicContact CG2-CG 4.15Å; T100-L104 VanDerWaalsContact O-CB 3.27Å; T100-L104 WeakPolarHBondContact O-CB 3.36Å; T100-L104 WeakPolarHBondContact O-CG 3.37Å; T100-L104 PolarHBondContact O-N 3.48Å; T100-L148 HydrophobicContact CG2-CD1 3.79Å; T100-M152 HydrophobicContact CG2-CE 3.37Å; T100-M152 HydrophobicContact CG2-SD 3.88Å; T100-P170 HydrophobicContact CG2-CB 3.83Å; T100-P170 HydrophobicContact CG2-CG 3.87Å
101	L	97.5	Very high	96.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58	-47.3	176.7	173.1	64.3	0	0	0	110.6	W83 I85 Q97 Y98 A103 A105 A112 F113 I114 L130 L166	W83-L101 HydrophobicContact CB-CD1 4.12Å; I85-L101 HydrophobicContact CB-CB 4.38Å; I85-L101 HydrophobicContact CB-CD2 4.46Å; I85-L101 HydrophobicContact CG2-CB 4Å; I85-L101 HydrophobicContact CG2-CD2 3.87Å; I85-L101 HydrophobicContact CG2-CG 4.44Å; Q97-L101 WeakPolarHBondContact O-CB 3.3Å; Q97-L101 PolarHBondContact O-N 3.39Å; Y98-L101 PolarHBondContact O-N 3.31Å; L101-A103 PolarHBondContact O-N 2.71Å; L101-A105 WeakPolarHBondContact O-CB 3.43Å; L101-A105 PolarHBondContact O-N 2.98Å; L101-A112 HydrophobicContact CD1-CB 3.99Å; L101-A112 HydrophobicContact CD2-CB 4.19Å; L101-A112 HydrophobicContact CG-CB 3.85Å; L101-F113 WeakPolarHBondContact CD2-O 3.4Å; L101-I114 HydrophobicContact CD2-CG2 3.99Å; L101-L130 HydrophobicContact CD2-CD1 4.11Å; L101-L130 HydrophobicContact CG-CD1 4.38Å; L101-L166 HydrophobicContact CD1-CD1 4.05Å
102	L	97.4	Very high	96.2	Very high	7 Å²	7	13.1 Å²	13.1	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-58	-50.6	178.4	-178.1	67.1	0	0	0	111.4	Y98 T100 Q106 L130 Q182 I183 E186	Y98-L102 HydrophobicContact CE1-CD2 4.49Å; Y98-L102 WeakPolarHBondContact O-CB 3.33Å; Y98-L102 PolarHBondContact O-N 3.29Å; T100-L102 VanDerWaalsContact C-N 3.32Å; T100-L102 PolarHBondContact O-N 3.07Å; L102-Q106 WeakPolarHBondContact O-CG 3.48Å; L102-Q106 PolarHBondContact O-N 3.16Å; L102-Q106 VanDerWaalsContact O-N 3.12Å; L102-L130 HydrophobicContact CB-CD1 4.25Å; L102-L130 HydrophobicContact CD1-CD1 4.39Å; L102-L130 HydrophobicContact CD1-CD2 3.77Å; L102-L130 HydrophobicContact CD1-CG 4.14Å; L102-Q182 HydrophobicContact CD2-CG 4.2Å; L102-I183 HydrophobicContact CD2-CD1 3.91Å; L102-E186 HydrophobicContact CD2-CG 3.86Å
103	A	95.6	Very high	96.2	Very high	1 Å²	1	16 Å²	16	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-47.2	-177.1	0	0	0	0	0	112.4	A99 T100 L101 Q106 L107 F175 F176 L179	A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 3.4Å; T100-A103 PolarHBondContact O-N 2.73Å; L101-A103 PolarHBondContact O-N 2.71Å; A103-Q106 PolarHBondContact O-N 2.81Å; A103-L107 WeakPolarHBondContact O-CB 3.25Å; A103-L107 PolarHBondContact O-N 2.93Å; A103-F175 VanDerWaalsContact CB-O 3.3Å; A103-F175 WeakPolarHBondContact CB-O 3.17Å; A103-F176 HydrophobicContact CB-CB 4.02Å; A103-L179 HydrophobicContact CB-CD1 3.9Å
104	L	94.4	Very high	96.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64	-43.9	180	-80	-172.6	0	0	0	112	W83 T100 L107 N108 L148 M152 Y156 L166 F175	W83-L104 HydrophobicContact CE3-CB 4.41Å; W83-L104 HydrophobicContact CZ3-CB 3.95Å; W83-L104 WeakPolarHBondContact CZ3-O 3.37Å; T100-L104 HydrophobicContact CG2-CD1 3.89Å; T100-L104 HydrophobicContact CG2-CG 4.15Å; T100-L104 VanDerWaalsContact O-CB 3.27Å; T100-L104 WeakPolarHBondContact O-CB 3.36Å; T100-L104 WeakPolarHBondContact O-CG 3.37Å; T100-L104 PolarHBondContact O-N 3.48Å; L104-L107 PolarHBondContact O-N 3.48Å; L104-N108 WeakPolarHBondContact O-CB 3.28Å; L104-N108 PolarHBondContact O-N 3.37Å; L104-N108 PolarHBondContact O-ND2 2.92Å; L104-L148 HydrophobicContact CD1-CD1 3.98Å; L104-L148 HydrophobicContact CD1-CD2 4.18Å; L104-M152 HydrophobicContact CD1-CE 3.8Å; L104-M152 HydrophobicContact CD2-CE 4.21Å; L104-M152 HydrophobicContact CG-CE 4.08Å; L104-Y156 WeakPolarHBondContact CD2-O 3.25Å; L104-L166 HydrophobicContact CD1-CD1 4.07Å; L104-F175 HydrophobicContact CD2-CD1 3.59Å; L104-F175 HydrophobicContact CD2-CE1 3.6Å; L104-F175 HydrophobicContact CG-CD1 4.44Å
105	A	94.6	Very high	96.2	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.017	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-43.1	-180	0	0	0	0	0	111.5	W83 L101 N108 G109 R110 A112	W83-A105 HydrophobicContact CE3-CB 4.25Å; L101-A105 WeakPolarHBondContact O-CB 3.43Å; L101-A105 PolarHBondContact O-N 2.98Å; A105-N108 CarbonylContact O-C 3.55Å; A105-N108 PolarHBondContact O-N 3.48Å; A105-G109 PolarHBondContact O-N 2.71Å; A105-R110 CarbonylContact C-O 3.53Å; A105-R110 HydrophobicContact CB-CB 4.48Å; A105-R110 WeakPolarHBondContact CB-O 3.47Å; A105-R110 PolarHBondContact O-N 3.36Å; A105-A112 HydrophobicContact CB-CB 3.53Å
106	Q	93.9	Very high	96.2	Very high	65 Å²	65	16.5 Å²	16.5	30%	0.304	9%	0.094	S	C	.	.	H	α-helix	trans	-62.6	-45.2	174.1	-73.4	-173.7	17.8	0	0	112.3	L59 L102 A103 N108 G109 Q182	L59-Q106 HydrophobicContact CD2-CB 4.47Å; L102-Q106 WeakPolarHBondContact O-CG 3.48Å; L102-Q106 PolarHBondContact O-N 3.16Å; L102-Q106 VanDerWaalsContact O-N 3.12Å; A103-Q106 PolarHBondContact O-N 2.81Å; Q106-N108 PolarHBondContact O-N 3.2Å; Q106-G109 PolarHBondContact O-N 3.4Å; Q106-G109 VanDerWaalsContact O-N 3.1Å; Q106-Q182 VanDerWaalsContact NE2-CD 3.34Å
107	L	92	Very high	96.2	Very high	25 Å²	25	21.9 Å²	21.9	13%	0.131	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-33.1	-179.7	-175.2	62.5	0	0	0	112.9	V57 L59 A103 L104	V57-L107 HydrophobicContact CG1-CD1 4.45Å; V57-L107 HydrophobicContact CG1-CD2 3.39Å; L59-L107 HydrophobicContact CD2-CB 4.24Å; L59-L107 HydrophobicContact CD2-CD1 3.94Å; A103-L107 WeakPolarHBondContact O-CB 3.25Å; A103-L107 PolarHBondContact O-N 2.93Å; L104-L107 PolarHBondContact O-N 3.48Å
108	N	92.6	Very high	96.2	Very high	18 Å²	18	21.9 Å²	21.9	10%	0.096	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	8.1	180	-67.4	-89.4	0	0	0	113.3	W83 L104 A105 Q106 R110 Y156 S157 H158 L159	W83-N108 HydrophobicContact CH2-CB 3.3Å; W83-N108 WeakPolarHBondContact CH2-ND2 3.34Å; W83-N108 HydrophobicContact CZ2-CB 3.94Å; W83-N108 HydrophobicContact CZ3-CB 3.88Å; L104-N108 WeakPolarHBondContact O-CB 3.28Å; L104-N108 PolarHBondContact O-N 3.37Å; L104-N108 PolarHBondContact O-ND2 2.92Å; A105-N108 CarbonylContact O-C 3.55Å; A105-N108 PolarHBondContact O-N 3.48Å; Q106-N108 PolarHBondContact O-N 3.2Å; N108-R110 VanDerWaalsContact C-N 3.31Å; N108-R110 HydrophobicContact CB-CG 4.25Å; N108-R110 PolarHBondContact O-N 2.93Å; N108-Y156 PolarHBondContact ND2-O 3.19Å; N108-S157 PolarHBondContact OD1-O 3.41Å; N108-H158 WeakPolarHBondContact OD1-CA 3.46Å; N108-L159 PolarHBondContact OD1-N 2.81Å; N108-L159 PolarHBondContact OD1-O 2.98Å
109	G	93.2	Very high	96.2	Very high	29 Å²	29	25.5 Å²	25.5	30%	0.299	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	31.2	177.3	0	0	0	0	0	114.4	L79 A105 Q106	L79-G109 PolarHBondContact N-O 2.72Å; A105-G109 PolarHBondContact O-N 2.71Å; Q106-G109 PolarHBondContact O-N 3.4Å; Q106-G109 VanDerWaalsContact O-N 3.1Å
110	R	93.8	Very high	96.2	Very high	25 Å²	25	28.7 Å²	28.7	9%	0.094	16%	0.163	C	C	.	.			trans	-108.6	145.6	-177.1	-61.4	-73.7	-174.9	-152.6	-8.6	111.5	S80 W83 A105 N108 Q160	S80-R110 PolarHBondContact O-NH1 2.9Å; W83-R110 HydrophobicContact CD2-CB 4.06Å; W83-R110 HydrophobicContact CD2-CG 4.03Å; W83-R110 HydrophobicContact CG-CB 4.17Å; W83-R110 HydrophobicContact CG-CG 4.4Å; W83-R110 HydrophobicContact CH2-CG 4.39Å; W83-R110 HydrophobicContact CZ2-CG 3.79Å; A105-R110 CarbonylContact C-O 3.53Å; A105-R110 HydrophobicContact CB-CB 4.48Å; A105-R110 WeakPolarHBondContact CB-O 3.47Å; A105-R110 PolarHBondContact O-N 3.36Å; N108-R110 VanDerWaalsContact C-N 3.31Å; N108-R110 HydrophobicContact CB-CG 4.25Å; N108-R110 PolarHBondContact O-N 2.93Å; R110-Q160 PolarHBondContact NH2-O 2.93Å
111	P	95.8	Very high	96.3	Very high	41 Å²	41	30.9 Å²	30.9	27%	0.266	18%	0.176	S	C	.	.			trans	-63.9	145.2	163	-18.6	32.3	0	0	0	111.3	G81 W83 F113	G81-P111 WeakPolarHBondContact O-CD 3.44Å; W83-P111 PolarHBondContact N-O 3.22Å; P111-F113 HydrophobicContact CB-CE2 3.92Å
112	A	97.4	Very high	96.3	Very high	11 Å²	11	30.9 Å²	30.9	9%	0.091	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-122.9	140.3	175.5	0	0	0	0	0	111.3	W83 L101 A105 L130 P131	W83-A112 WeakPolarHBondContact O-CA 3.5Å; L101-A112 HydrophobicContact CD1-CB 3.99Å; L101-A112 HydrophobicContact CD2-CB 4.19Å; L101-A112 HydrophobicContact CG-CB 3.85Å; A105-A112 HydrophobicContact CB-CB 3.53Å; A112-L130 HydrophobicContact CB-CD1 4.4Å; A112-L130 HydrophobicContact CB-CD2 3.83Å; A112-P131 WeakPolarHBondContact O-CD 3.46Å
113	F	98.4	Very high	96.4	Very high	61 Å²	61	31.5 Å²	31.5	27%	0.268	18%	0.182	S	C	.	.			trans	-132.6	138.2	175.4	-65.4	-105.5	0	0	0	109.6	T82 W83 T84 L101 P111 P131 L133	T82-F113 HydrophobicContact CG2-CD2 4.16Å; T82-F113 WeakPolarHBondContact OG1-CD2 3.29Å; T82-F113 WeakPolarHBondContact OG1-CE2 3.33Å; W83-F113 PolarHBondContact O-N 2.82Å; T84-F113 WeakPolarHBondContact CA-O 3.27Å; T84-F113 VanDerWaalsContact CB-O 3.25Å; T84-F113 WeakPolarHBondContact CB-O 3.41Å; T84-F113 PolarHBondContact OG1-O 3.34Å; L101-F113 WeakPolarHBondContact CD2-O 3.4Å; P111-F113 HydrophobicContact CB-CE2 3.92Å; F113-P131 CarbonylContact C-O 3.37Å; F113-P131 VanDerWaalsContact CA-O 3.29Å; F113-P131 WeakPolarHBondContact CA-O 3.36Å; F113-P131 HydrophobicContact CD1-CB 3.77Å; F113-P131 HydrophobicContact CD1-CG 3.44Å; F113-P131 VanDerWaalsContact CD1-CG 3.44Å; F113-P131 HydrophobicContact CE1-CB 3.83Å; F113-P131 HydrophobicContact CE1-CG 3.49Å; F113-P131 VanDerWaalsContact CE1-CG 3.49Å; F113-P131 HydrophobicContact CG-CG 4Å; F113-P131 HydrophobicContact CZ-CG 4.07Å; F113-L133 HydrophobicContact CB-CB 3.78Å; F113-L133 HydrophobicContact CB-CD1 4.13Å; F113-L133 HydrophobicContact CB-CG 4.48Å; F113-L133 HydrophobicContact CG-CD1 4.34Å
114	I	98.6	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-92.6	149.2	174.9	58.3	171.1	0	0	0	110.5	Y98 L101 M118 H119 I128 L130 P131 V132 L133	Y98-I114 HydrophobicContact CD2-CG2 3.81Å; Y98-I114 HydrophobicContact CE2-CD1 4.24Å; Y98-I114 HydrophobicContact CE2-CG2 3.91Å; L101-I114 HydrophobicContact CD2-CG2 3.99Å; I114-M118 HydrophobicContact CB-CB 4.35Å; I114-M118 HydrophobicContact CB-CG 4.48Å; I114-M118 HydrophobicContact CB-SD 4.03Å; I114-M118 HydrophobicContact CG2-SD 3.69Å; I114-H119 HydrophobicContact CD1-CB 3.79Å; I114-I128 HydrophobicContact CD1-CD1 3.75Å; I114-L130 HydrophobicContact CG1-CB 4.48Å; I114-L130 HydrophobicContact CG2-CB 3.92Å; I114-L130 HydrophobicContact CG2-CD1 3.77Å; I114-P131 PolarHBondContact N-O 2.84Å; I114-V132 HydrophobicContact CG1-CG2 4.35Å; I114-V132 CarbonylContact O-C 3.55Å; I114-V132 WeakPolarHBondContact O-CA 3.5Å; I114-L133 PolarHBondContact O-N 2.82Å
115	Q	98.3	Very high	96.7	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.075	21%	0.209	C	C	.	.			trans	-73.6	154	174.2	-64.8	-163.4	-58.7	0	0	111.7	P87 E117 M118 H119 D138 K165	P87-Q115 HydrophobicContact CG-CB 4.25Å; Q115-E117 WeakPolarHBondContact CB-OE2 3.48Å; Q115-E117 PolarHBondContact O-N 3.18Å; Q115-E117 VanDerWaalsContact O-N 3.16Å; Q115-M118 WeakPolarHBondContact O-CB 3.36Å; Q115-M118 PolarHBondContact O-N 2.94Å; Q115-H119 PolarHBondContact O-N 2.76Å; Q115-D138 PolarHBondContact NE2-OD2 2.93Å; Q115-K165 VanDerWaalsContact NE2-CE 3.3Å
116	P	98.4	Very high	96.9	Very high	46 Å²	46	35.7 Å²	35.7	30%	0.299	21%	0.209	S	C	.	.	H	α-helix	trans	-52.5	-36.3	-179.3	-28.2	35.4	0	0	0	114.5	H119 A120 V132 P135	P116-H119 PolarHBondContact O-N 2.96Å; P116-A120 WeakPolarHBondContact O-CB 3.23Å; P116-A120 PolarHBondContact O-N 3.37Å; P116-V132 HydrophobicContact CB-CG1 4.23Å; P116-V132 HydrophobicContact CG-CG1 3.84Å; P116-P135 HydrophobicContact CG-CG 4.32Å
117	E	97.9	Very high	97	Very high	112 Å²	112	38.2 Å²	38.2	52%	0.523	22%	0.216	S	C	.	.	H	α-helix	trans	-67.1	-37	-179.8	-59.6	77.8	-173.2	0	0	111.9	P87 Q115 A120 T121	P87-E117 HydrophobicContact CG-CB 3.86Å; Q115-E117 WeakPolarHBondContact CB-OE2 3.48Å; Q115-E117 PolarHBondContact O-N 3.18Å; Q115-E117 VanDerWaalsContact O-N 3.16Å; E117-A120 PolarHBondContact O-N 3.45Å; E117-T121 PolarHBondContact O-N 3.49Å; E117-T121 VanDerWaalsContact O-N 3.11Å; E117-T121 PolarHBondContact O-OG1 3.13Å
118	M	98.5	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-45.1	174.2	-173.7	174.6	-71.3	0	0	111	I85 P87 Q97 Y98 I114 Q115 A120 T121 L122	I85-M118 HydrophobicContact CG2-CE 3.52Å; I85-M118 HydrophobicContact CG2-SD 4.37Å; P87-M118 HydrophobicContact CB-CB 4.01Å; P87-M118 HydrophobicContact CB-CE 4Å; P87-M118 HydrophobicContact CG-CB 4.31Å; Q97-M118 HydrophobicContact CB-CE 3.7Å; Y98-M118 HydrophobicContact CD2-SD 4.01Å; I114-M118 HydrophobicContact CB-CB 4.35Å; I114-M118 HydrophobicContact CB-CG 4.48Å; I114-M118 HydrophobicContact CB-SD 4.03Å; I114-M118 HydrophobicContact CG2-SD 3.69Å; Q115-M118 WeakPolarHBondContact O-CB 3.36Å; Q115-M118 PolarHBondContact O-N 2.94Å; M118-A120 VanDerWaalsContact C-N 3.34Å; M118-A120 PolarHBondContact O-N 3.4Å; M118-T121 PolarHBondContact O-N 2.86Å; M118-T121 VanDerWaalsContact O-N 3.16Å; M118-L122 HydrophobicContact CG-CD1 3.79Å; M118-L122 HydrophobicContact CG-CG 4.32Å; M118-L122 PolarHBondContact O-N 3.32Å; M118-L122 HydrophobicContact SD-CD1 4.33Å
119	H	98.4	Very high	97.6	Very high	76 Å²	76	41.2 Å²	41.2	35%	0.352	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-46.5	176.4	-178.8	-86	0	0	0	110.9	I114 Q115 P116 T121 L122 A123 V132	I114-H119 HydrophobicContact CD1-CB 3.79Å; Q115-H119 PolarHBondContact O-N 2.76Å; P116-H119 PolarHBondContact O-N 2.96Å; H119-T121 PolarHBondContact O-N 2.86Å; H119-L122 PolarHBondContact O-N 2.91Å; H119-A123 WeakPolarHBondContact O-CB 3.5Å; H119-A123 PolarHBondContact O-N 2.86Å; H119-V132 HydrophobicContact CB-CG2 3.73Å; H119-V132 VanDerWaalsContact CD2-CG2 3.5Å; H119-V132 WeakPolarHBondContact CD2-CG2 3.46Å
120	A	97.6	Very high	97.8	Very high	68 Å²	68	40.7 Å²	40.7	56%	0.562	23%	0.228	S	C	*	.	H	α-helix	trans	-59.5	-30.2	177	0	0	0	0	0	113.2	P116 E117 M118 P124	P116-A120 WeakPolarHBondContact O-CB 3.23Å; P116-A120 PolarHBondContact O-N 3.37Å; E117-A120 PolarHBondContact O-N 3.45Å; M118-A120 VanDerWaalsContact C-N 3.34Å; M118-A120 PolarHBondContact O-N 3.4Å; A120-P124 VanDerWaalsContact O-CD 3.28Å; A120-P124 WeakPolarHBondContact O-CD 3.22Å; A120-P124 VanDerWaalsContact O-CG 3.25Å; A120-P124 WeakPolarHBondContact O-CG 3.44Å
121	T	97.8	Very high	98	Very high	46 Å²	46	42.4 Å²	42.4	28%	0.282	24%	0.242	S	C	.	.	H	α-helix	trans	-80.2	-43.9	178.1	-57.6	0	0	0	0	112.7	F91 Q94 E117 M118 H119	F91-T121 HydrophobicContact CD2-CG2 4.07Å; Q94-T121 PolarHBondContact NE2-OG1 3.13Å; Q94-T121 PolarHBondContact OE1-OG1 3.36Å; E117-T121 PolarHBondContact O-N 3.49Å; E117-T121 VanDerWaalsContact O-N 3.11Å; E117-T121 PolarHBondContact O-OG1 3.13Å; M118-T121 PolarHBondContact O-N 2.86Å; M118-T121 VanDerWaalsContact O-N 3.16Å; H119-T121 PolarHBondContact O-N 2.86Å
122	L	98.6	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-95.8	-38.2	-169.1	-63	-177.2	0	0	0	113.6	F91 Q94 M95 Y98 M118 H119 P124 V125 F126 I128	F91-L122 HydrophobicContact CD2-CD2 4.05Å; F91-L122 HydrophobicContact CE2-CD2 3.88Å; F91-L122 HydrophobicContact CZ-CD2 4.48Å; Q94-L122 HydrophobicContact CB-CD1 4.44Å; Q94-L122 HydrophobicContact CB-CD2 4.25Å; Q94-L122 HydrophobicContact CB-CG 4.41Å; M95-L122 HydrophobicContact CG-CD2 3.78Å; Y98-L122 HydrophobicContact CD2-CD1 3.95Å; Y98-L122 HydrophobicContact CG-CD1 4.14Å; M118-L122 HydrophobicContact CG-CD1 3.79Å; M118-L122 HydrophobicContact CG-CG 4.32Å; M118-L122 PolarHBondContact O-N 3.32Å; M118-L122 HydrophobicContact SD-CD1 4.33Å; H119-L122 PolarHBondContact O-N 2.91Å; L122-P124 VanDerWaalsContact C-N 3.35Å; L122-V125 PolarHBondContact O-N 3.17Å; L122-F126 HydrophobicContact CB-CD2 4.5Å; L122-F126 HydrophobicContact CD2-CE2 4.47Å; L122-F126 PolarHBondContact O-N 3.49Å; L122-I128 HydrophobicContact CB-CD1 3.94Å
123	A	98.1	Very high	98.2	Very high	20 Å²	20	43.1 Å²	43.1	17%	0.165	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.7	-176.3	0	0	0	0	0	114.9	H119 V125 F126 I128 H190	H119-A123 WeakPolarHBondContact O-CB 3.5Å; H119-A123 PolarHBondContact O-N 2.86Å; A123-V125 PolarHBondContact O-N 2.92Å; A123-F126 VanDerWaalsContact O-O 3.11Å; A123-I128 HydrophobicContact CB-CD1 4.17Å; A123-I128 HydrophobicContact CB-CG1 4.39Å; A123-H190 PolarHBondContact O-NE2 2.9Å
124	P	97.8	Very high	98.1	Very high	79 Å²	79	44.2 Å²	44.2	51%	0.513	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	172.9	-25.1	36.1	0	0	0	114.1	A120 L122 H190	A120-P124 VanDerWaalsContact O-CD 3.28Å; A120-P124 WeakPolarHBondContact O-CD 3.22Å; A120-P124 VanDerWaalsContact O-CG 3.25Å; A120-P124 WeakPolarHBondContact O-CG 3.44Å; L122-P124 VanDerWaalsContact C-N 3.35Å; P124-H190 PolarHBondContact O-CD2 3.41Å
125	V	98.6	Very high	98	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-40.2	-178.2	-174.2	0	0	0	0	111.4	F91 L122 A123 L189 H190 L193	F91-V125 HydrophobicContact CE2-CB 4.03Å; F91-V125 HydrophobicContact CE2-CG1 4.47Å; F91-V125 HydrophobicContact CE2-CG2 3.65Å; F91-V125 HydrophobicContact CZ-CB 3.93Å; F91-V125 HydrophobicContact CZ-CG1 3.88Å; F91-V125 HydrophobicContact CZ-CG2 3.88Å; L122-V125 PolarHBondContact O-N 3.17Å; A123-V125 PolarHBondContact O-N 2.92Å; V125-L189 HydrophobicContact CG1-CD2 3.82Å; V125-L189 WeakPolarHBondContact O-CA 3.48Å; V125-H190 PolarHBondContact O-N 3.25Å; V125-H190 VanDerWaalsContact O-N 3.16Å; V125-L193 HydrophobicContact CB-CD1 4.22Å; V125-L193 HydrophobicContact CG1-CD1 3.85Å; V125-L193 HydrophobicContact CG2-CD1 4.46Å
126	F	98.6	Very high	97.9	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.013	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-122.6	158.9	-169	-56.4	-56.5	0	0	0	114.1	F91 M95 L122 A123 I128 F187 T188 L189 H190 F296	F91-F126 AromaticContact CE1-CE2 3.93Å; F91-F126 HydrophobicContact CE1-CE2 3.93Å; F91-F126 HydrophobicContact CE1-CZ 4.01Å; F91-F126 HydrophobicContact CE2-CE2 4.05Å; F91-F126 HydrophobicContact CZ-CD2 4.18Å; F91-F126 AromaticContact CZ-CE2 3.26Å; F91-F126 HydrophobicContact CZ-CE2 3.26Å; F91-F126 AromaticContact CZ-CZ 3.61Å; F91-F126 HydrophobicContact CZ-CZ 3.61Å; M95-F126 HydrophobicContact CE-CE2 3.64Å; M95-F126 HydrophobicContact CE-CZ 3.57Å; M95-F126 HydrophobicContact CG-CE2 4.1Å; M95-F126 HydrophobicContact SD-CE2 3.77Å; M95-F126 HydrophobicContact SD-CZ 3.94Å; L122-F126 HydrophobicContact CB-CD2 4.5Å; L122-F126 HydrophobicContact CD2-CE2 4.47Å; L122-F126 PolarHBondContact O-N 3.49Å; A123-F126 VanDerWaalsContact O-O 3.11Å; F126-I128 VanDerWaalsContact C-N 3.32Å; F126-I128 HydrophobicContact CB-CG2 4Å; F126-I128 PolarHBondContact O-N 2.98Å; F126-F187 HydrophobicContact CB-CD1 4.43Å; F126-F187 VanDerWaalsContact CD1-C 3.5Å; F126-F187 HydrophobicContact CD1-CB 3.97Å; F126-F187 VanDerWaalsContact CD1-O 3.26Å; F126-F187 WeakPolarHBondContact CD1-O 3.31Å; F126-F187 AromaticContact CD2-CD1 3.71Å; F126-F187 HydrophobicContact CD2-CD1 3.71Å; F126-F187 HydrophobicContact CD2-CE1 4.39Å; F126-F187 HydrophobicContact CD2-CG 4.47Å; F126-F187 HydrophobicContact CE1-CB 4.03Å; F126-F187 HydrophobicContact CE2-CD1 4.01Å; F126-F187 HydrophobicContact CE2-CG 4.49Å; F126-F187 HydrophobicContact CG-CB 4.24Å; F126-F187 HydrophobicContact CG-CD1 4Å; F126-F187 HydrophobicContact CZ-CB 4.36Å; F126-T188 CarbonylContact C-O 3.42Å; F126-T188 VanDerWaalsContact CA-O 3.3Å; F126-T188 WeakPolarHBondContact CA-O 3.23Å; F126-L189 HydrophobicContact CD1-CD2 4.11Å; F126-L189 HydrophobicContact CE1-CD2 3.8Å; F126-H190 PolarHBondContact O-NE2 3.1Å; F126-F296 HydrophobicContact CE1-CD1 4.1Å; F126-F296 AromaticContact CE1-CE1 3.9Å; F126-F296 HydrophobicContact CE1-CE1 3.9Å; F126-F296 AromaticContact CZ-CD1 3.72Å; F126-F296 HydrophobicContact CZ-CD1 3.72Å; F126-F296 AromaticContact CZ-CE1 3.44Å; F126-F296 HydrophobicContact CZ-CE1 3.44Å; F126-F296 VanDerWaalsContact CZ-CE1 3.44Å; F126-F296 HydrophobicContact CZ-CZ 4.26Å
127	R	97.7	Very high	97.7	Very high	119 Å²	119	55.4 Å²	55.4	45%	0.449	31%	0.314	S	S	.	.			trans	-91.8	56.5	172.2	-59.4	-179.9	-177.3	-87	7.2	111.6	E186 T188 D191	R127-E186 CarbonylContact C-O 3.53Å; R127-T188 PolarHBondContact N-O 3.49Å; R127-D191 IonicContact NH2-OD2 2.75Å; R127-D191 PolarHBondContact NH2-OD2 3.16Å
128	I	98.4	Very high	97.6	Very high	25 Å²	25	51.4 Å²	51.4	13%	0.128	30%	0.296	C	S	.	.			trans	-63.9	146.8	177.9	57.5	177.2	0	0	0	112.1	Y98 I114 L122 A123 F126 E186 F187	Y98-I128 HydrophobicContact CD2-CG2 4.4Å; Y98-I128 HydrophobicContact CE1-CG2 4.35Å; Y98-I128 HydrophobicContact CE2-CB 3.77Å; Y98-I128 HydrophobicContact CE2-CD1 4.13Å; Y98-I128 HydrophobicContact CE2-CG1 4.49Å; Y98-I128 HydrophobicContact CE2-CG2 3.83Å; I114-I128 HydrophobicContact CD1-CD1 3.75Å; L122-I128 HydrophobicContact CB-CD1 3.94Å; A123-I128 HydrophobicContact CB-CD1 4.17Å; A123-I128 HydrophobicContact CB-CG1 4.39Å; F126-I128 VanDerWaalsContact C-N 3.32Å; F126-I128 HydrophobicContact CB-CG2 4Å; F126-I128 PolarHBondContact O-N 2.98Å; I128-E186 WeakPolarHBondContact CG2-O 3.45Å; I128-E186 PolarHBondContact N-O 3.43Å; I128-F187 HydrophobicContact CG2-CD1 4.27Å; I128-F187 HydrophobicContact CG2-CE1 4.27Å
129	S	97.6	Very high	97.5	Very high	80 Å²	80	55.8 Å²	55.8	56%	0.559	33%	0.326	S	S	*	.			trans	-111.2	-24.3	-172.8	77	0	0	0	0	115.5	Y98 E186	Y98-S129 PolarHBondContact OH-N 3.44Å; Y98-S129 VanDerWaalsContact OH-N 3.16Å; S129-E186 VanDerWaalsContact CB-OE2 3.27Å; S129-E186 WeakPolarHBondContact CB-OE2 3.28Å; S129-E186 PolarHBondContact N-OE2 3.16Å; S129-E186 PolarHBondContact OG-OE1 3.04Å; S129-E186 PolarHBondContact OG-OE2 3.42Å
130	L	98.2	Very high	97.4	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.094	34%	0.341	C	S	.	.	S	Bend	trans	-53.9	131.1	176.8	-74.2	-179.1	0	0	0	111.4	Y98 L101 L102 A112 I114	Y98-L130 HydrophobicContact CD2-CD1 4.28Å; Y98-L130 HydrophobicContact CE1-CD1 4.21Å; Y98-L130 HydrophobicContact CE1-CG 4.44Å; Y98-L130 HydrophobicContact CE2-CB 3.89Å; Y98-L130 HydrophobicContact CE2-CD1 3.83Å; Y98-L130 HydrophobicContact CE2-CG 4.07Å; Y98-L130 WeakPolarHBondContact OH-CB 3.16Å; Y98-L130 WeakPolarHBondContact OH-CG 3.28Å; Y98-L130 PolarHBondContact OH-N 2.86Å; L101-L130 HydrophobicContact CD2-CD1 4.11Å; L101-L130 HydrophobicContact CG-CD1 4.38Å; L102-L130 HydrophobicContact CB-CD1 4.25Å; L102-L130 HydrophobicContact CD1-CD1 4.39Å; L102-L130 HydrophobicContact CD1-CD2 3.77Å; L102-L130 HydrophobicContact CD1-CG 4.14Å; A112-L130 HydrophobicContact CB-CD1 4.4Å; A112-L130 HydrophobicContact CB-CD2 3.83Å; I114-L130 HydrophobicContact CG1-CB 4.48Å; I114-L130 HydrophobicContact CG2-CB 3.92Å; I114-L130 HydrophobicContact CG2-CD1 3.77Å
131	P	98.2	Very high	97.3	Very high	61 Å²	61	56.1 Å²	56.1	40%	0.396	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-67.2	152.1	-180	28.1	-35.2	0	0	0	111.7	A112 F113 I114	A112-P131 WeakPolarHBondContact O-CD 3.46Å; F113-P131 CarbonylContact C-O 3.37Å; F113-P131 VanDerWaalsContact CA-O 3.29Å; F113-P131 WeakPolarHBondContact CA-O 3.36Å; F113-P131 HydrophobicContact CD1-CB 3.77Å; F113-P131 HydrophobicContact CD1-CG 3.44Å; F113-P131 VanDerWaalsContact CD1-CG 3.44Å; F113-P131 HydrophobicContact CE1-CB 3.83Å; F113-P131 HydrophobicContact CE1-CG 3.49Å; F113-P131 VanDerWaalsContact CE1-CG 3.49Å; F113-P131 HydrophobicContact CG-CG 4Å; F113-P131 HydrophobicContact CZ-CG 4.07Å; I114-P131 PolarHBondContact N-O 2.84Å
132	V	98.5	Very high	97.3	Very high	63 Å²	63	58.4 Å²	58.4	38%	0.382	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-80.6	131.4	174.6	-175.8	0	0	0	0	109.5	I114 P116 H119	I114-V132 HydrophobicContact CG1-CG2 4.35Å; I114-V132 CarbonylContact O-C 3.55Å; I114-V132 WeakPolarHBondContact O-CA 3.5Å; P116-V132 HydrophobicContact CB-CG1 4.23Å; P116-V132 HydrophobicContact CG-CG1 3.84Å; H119-V132 HydrophobicContact CB-CG2 3.73Å; H119-V132 VanDerWaalsContact CD2-CG2 3.5Å; H119-V132 WeakPolarHBondContact CD2-CG2 3.46Å
133	L	97.6	Very high	97.2	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-70.9	126.8	173.7	-175.2	62.4	0	0	0	109.5	T84 F113 I114 V137 D138 W143	T84-L133 HydrophobicContact CG2-CD2 4.07Å; F113-L133 HydrophobicContact CB-CB 3.78Å; F113-L133 HydrophobicContact CB-CD1 4.13Å; F113-L133 HydrophobicContact CB-CG 4.48Å; F113-L133 HydrophobicContact CG-CD1 4.34Å; I114-L133 PolarHBondContact O-N 2.82Å; L133-V137 HydrophobicContact CD1-CB 4.32Å; L133-V137 HydrophobicContact CD1-CG1 3.93Å; L133-D138 HydrophobicContact CD2-CB 3.64Å; L133-D138 HydrophobicContact CG-CB 4.05Å; L133-W143 HydrophobicContact CD2-CH2 4.35Å; L133-W143 HydrophobicContact CD2-CZ2 3.78Å
134	D	96.8	Very high	97.2	Very high	84 Å²	84	64 Å²	64	45%	0.449	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-66.4	132.6	174.5	-176.1	-81.5	0	0	0	110.6	E136 V137 D138	D134-E136 VanDerWaalsContact C-N 3.28Å; D134-E136 PolarHBondContact O-N 2.92Å; D134-E136 WeakPolarHBondContact OD1-CA 3.48Å; D134-E136 VanDerWaalsContact OD1-CB 3.23Å; D134-E136 WeakPolarHBondContact OD1-CB 3.25Å; D134-E136 PolarHBondContact OD1-N 2.8Å; D134-V137 HydrophobicContact CB-CB 4.15Å; D134-V137 HydrophobicContact CB-CG2 3.89Å; D134-V137 WeakPolarHBondContact O-CB 3.02Å; D134-V137 PolarHBondContact O-N 3.41Å; D134-V137 VanDerWaalsContact O-N 3.16Å; D134-V137 PolarHBondContact OD1-N 2.69Å; D134-D138 PolarHBondContact O-N 3.05Å
135	P	95.6	Very high	97.2	Very high	88 Å²	88	66.8 Å²	66.8	57%	0.571	37%	0.365	S	S	*	.	H	α-helix	trans	-59.5	-33.1	-178.2	-26.1	35.1	0	0	0	114.6	P116 D138 S139	P116-P135 HydrophobicContact CG-CG 4.32Å; P135-D138 PolarHBondContact O-N 3.15Å; P135-S139 PolarHBondContact O-N 3.32Å
136	E	96.1	Very high	97.2	Very high	137 Å²	137	68.5 Å²	68.5	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-68.3	-45.3	176.6	-171.2	176.8	-179	0	0	109.8	D134 D138 S139 L140	D134-E136 VanDerWaalsContact C-N 3.28Å; D134-E136 PolarHBondContact O-N 2.92Å; D134-E136 WeakPolarHBondContact OD1-CA 3.48Å; D134-E136 VanDerWaalsContact OD1-CB 3.23Å; D134-E136 WeakPolarHBondContact OD1-CB 3.25Å; D134-E136 PolarHBondContact OD1-N 2.8Å; E136-D138 VanDerWaalsContact C-N 3.31Å; E136-D138 PolarHBondContact O-N 3.16Å; E136-S139 PolarHBondContact O-N 2.94Å; E136-S139 VanDerWaalsContact O-N 3.15Å; E136-S139 PolarHBondContact O-OG 2.77Å; E136-L140 HydrophobicContact CG-CD1 3.95Å; E136-L140 WeakPolarHBondContact O-CG 3.27Å; E136-L140 PolarHBondContact O-N 3.02Å
137	V	94.6	Very high	97.1	Very high	71 Å²	71	73.1 Å²	73.1	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-59.4	-42.5	173.7	178.3	0	0	0	0	111.1	L133 D134 S139 L140 T141	L133-V137 HydrophobicContact CD1-CB 4.32Å; L133-V137 HydrophobicContact CD1-CG1 3.93Å; D134-V137 HydrophobicContact CB-CB 4.15Å; D134-V137 HydrophobicContact CB-CG2 3.89Å; D134-V137 WeakPolarHBondContact O-CB 3.02Å; D134-V137 PolarHBondContact O-N 3.41Å; D134-V137 VanDerWaalsContact O-N 3.16Å; D134-V137 PolarHBondContact OD1-N 2.69Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 2.86Å; V137-L140 PolarHBondContact O-N 2.88Å; V137-T141 WeakPolarHBondContact O-CB 3.18Å; V137-T141 PolarHBondContact O-N 3.19Å; V137-T141 PolarHBondContact O-OG1 3.31Å
138	D	96.3	Very high	96.9	Very high	29 Å²	29	67.7 Å²	67.7	16%	0.155	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-41	176.7	-167.5	26.1	0	0	0	111.9	Q115 L133 D134 P135 E136 W143 K165	Q115-D138 PolarHBondContact NE2-OD2 2.93Å; L133-D138 HydrophobicContact CD2-CB 3.64Å; L133-D138 HydrophobicContact CG-CB 4.05Å; D134-D138 PolarHBondContact O-N 3.05Å; P135-D138 PolarHBondContact O-N 3.15Å; E136-D138 VanDerWaalsContact C-N 3.31Å; E136-D138 PolarHBondContact O-N 3.16Å; D138-W143 PolarHBondContact O-NE1 2.82Å; D138-W143 PolarHBondContact OD1-NE1 3.26Å; D138-K165 IonicContact OD1-NZ 2.77Å; D138-K165 PolarHBondContact OD1-NZ 3.25Å; D138-K165 IonicContact OD2-NZ 2.81Å; D138-K165 PolarHBondContact OD2-NZ 2.92Å
139	S	96.1	Very high	96.7	Very high	91 Å²	91	69.8 Å²	69.8	64%	0.636	39%	0.391	S	S	*	.	H	α-helix	trans	-72.5	-29.9	-178.6	76.6	0	0	0	0	114.1	P135 E136 V137	P135-S139 PolarHBondContact O-N 3.32Å; E136-S139 PolarHBondContact O-N 2.94Å; E136-S139 VanDerWaalsContact O-N 3.15Å; E136-S139 PolarHBondContact O-OG 2.77Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 2.86Å
140	L	96.3	Very high	96.3	Very high	127 Å²	127	68 Å²	68	67%	0.665	38%	0.375	S	S	*	.	H	α-helix	trans	-92.8	-16.5	-177.1	-65.1	174.3	0	0	0	113	E136 V137	E136-L140 HydrophobicContact CG-CD1 3.95Å; E136-L140 WeakPolarHBondContact O-CG 3.27Å; E136-L140 PolarHBondContact O-N 3.02Å; V137-L140 PolarHBondContact O-N 2.88Å
141	T	96.4	Very high	95.8	Very high	24 Å²	24	70.2 Å²	70.2	15%	0.147	38%	0.382	C	S	.	.	S	Bend	trans	-76.8	129.4	-177.8	-62.2	0	0	0	0	110.6	V137 W143 F163	V137-T141 WeakPolarHBondContact O-CB 3.18Å; V137-T141 PolarHBondContact O-N 3.19Å; V137-T141 PolarHBondContact O-OG1 3.31Å; T141-W143 VanDerWaalsContact C-N 3.26Å; T141-W143 HydrophobicContact CG2-CD2 3.65Å; T141-W143 VanDerWaalsContact CG2-CE2 3.48Å; T141-W143 HydrophobicContact CG2-CE3 3.91Å; T141-W143 HydrophobicContact CG2-CG 4.26Å; T141-W143 HydrophobicContact CG2-CH2 3.95Å; T141-W143 HydrophobicContact CG2-CZ2 3.63Å; T141-W143 HydrophobicContact CG2-CZ3 4.08Å; T141-W143 PolarHBondContact O-N 3.16Å; T141-F163 HydrophobicContact CG2-CB 4Å; T141-F163 HydrophobicContact CG2-CD1 3.59Å; T141-F163 HydrophobicContact CG2-CE1 4.29Å; T141-F163 HydrophobicContact CG2-CG 3.94Å
142	P	96.6	Very high	95.4	Very high	94 Å²	94	67.7 Å²	67.7	61%	0.61	37%	0.365	S	S	*	.			trans	-79.1	74.2	179.3	33.2	-36	0	0	0	111	Q144 F163	P142-Q144 PolarHBondContact O-N 3.17Å; P142-F163 HydrophobicContact CG-CD2 4.31Å
143	W	97.8	Very high	94.8	Very high	27 Å²	27	65.6 Å²	65.6	10%	0.102	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-63.5	131.6	-175.9	-63.5	111.7	0	0	0	113.4	T82 T84 L133 D138 T141 F163 L164 K165	T82-W143 HydrophobicContact CG2-CH2 3.45Å; T82-W143 VanDerWaalsContact CG2-CH2 3.45Å; T82-W143 HydrophobicContact CG2-CZ2 4.43Å; T82-W143 HydrophobicContact CG2-CZ3 4.05Å; T82-W143 VanDerWaalsContact O-CZ3 3.28Å; T82-W143 WeakPolarHBondContact O-CZ3 3.41Å; T84-W143 HydrophobicContact CG2-CE3 4.45Å; T84-W143 HydrophobicContact CG2-CH2 3.67Å; T84-W143 HydrophobicContact CG2-CZ2 3.89Å; T84-W143 HydrophobicContact CG2-CZ3 3.99Å; L133-W143 HydrophobicContact CD2-CH2 4.35Å; L133-W143 HydrophobicContact CD2-CZ2 3.78Å; D138-W143 PolarHBondContact O-NE1 2.82Å; D138-W143 PolarHBondContact OD1-NE1 3.26Å; T141-W143 VanDerWaalsContact C-N 3.26Å; T141-W143 HydrophobicContact CG2-CD2 3.65Å; T141-W143 VanDerWaalsContact CG2-CE2 3.48Å; T141-W143 HydrophobicContact CG2-CE3 3.91Å; T141-W143 HydrophobicContact CG2-CG 4.26Å; T141-W143 HydrophobicContact CG2-CH2 3.95Å; T141-W143 HydrophobicContact CG2-CZ2 3.63Å; T141-W143 HydrophobicContact CG2-CZ3 4.08Å; T141-W143 PolarHBondContact O-N 3.16Å; W143-F163 HydrophobicContact CE3-CB 4.1Å; W143-F163 HydrophobicContact CZ3-CB 4.39Å; W143-L164 VanDerWaalsContact CE3-C 3.44Å; W143-L164 VanDerWaalsContact CZ3-O 3.25Å; W143-L164 WeakPolarHBondContact CZ3-O 3.3Å; W143-K165 HydrophobicContact CB-CB 3.82Å; W143-K165 HydrophobicContact CB-CD 4.41Å; W143-K165 HydrophobicContact CD2-CB 3.93Å; W143-K165 HydrophobicContact CD2-CD 4.26Å; W143-K165 HydrophobicContact CE3-CB 3.97Å; W143-K165 HydrophobicContact CG-CB 3.88Å; W143-K165 HydrophobicContact CG-CD 3.96Å
144	Q	97.9	Very high	94.3	Very high	111 Å²	111	70.8 Å²	70.8	52%	0.519	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.6	157.2	-66.4	-57	-36.9	0	0	108.8	P142 F163 L164 K165	P142-Q144 PolarHBondContact O-N 3.17Å; Q144-F163 PolarHBondContact N-O 3.1Å; Q144-L164 HydrophobicContact CB-CD2 3.89Å; Q144-L164 WeakPolarHBondContact O-CA 3.44Å; Q144-K165 PolarHBondContact O-N 3Å
145	H	97.8	Very high	93.8	Very high	138 Å²	138	72.6 Å²	72.6	64%	0.639	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	130	-177.3	-69.8	-84.3	0	0	0	110.9	K165	H145-K165 WeakPolarHBondContact CA-O 3.06Å
146	L	97.3	Very high	93.6	Very high	44 Å²	44	68.8 Å²	68.8	23%	0.23	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	122	176	179.6	62.4	0	0	0	109.7	L148 Y156 L159 L164 K165 L166 S167	L146-L148 HydrophobicContact CD2-CD2 4Å; L146-L148 HydrophobicContact CG-CD2 4.21Å; L146-Y156 HydrophobicContact CD2-CD1 4.38Å; L146-Y156 HydrophobicContact CD2-CE1 4.4Å; L146-L159 HydrophobicContact CD2-CD1 3.87Å; L146-L159 HydrophobicContact CD2-CD2 4Å; L146-L164 HydrophobicContact CB-CD2 4.41Å; L146-L164 HydrophobicContact CD2-CD1 4.5Å; L146-K165 PolarHBondContact N-O 3.28Å; L146-L166 HydrophobicContact CB-CD2 4.07Å; L146-L166 HydrophobicContact CD2-CD2 4Å; L146-L166 HydrophobicContact CG-CD2 4.38Å; L146-L166 CarbonylContact O-C 3.56Å; L146-L166 WeakPolarHBondContact O-CA 3.45Å; L146-S167 PolarHBondContact O-N 3.27Å; L146-S167 PolarHBondContact O-OG 2.78Å
147	V	96.5	Very high	93.1	Very high	100 Å²	100	63 Å²	63	61%	0.606	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.3	171.2	-173.7	0	0	0	0	107.7	S167	V147-S167 WeakPolarHBondContact CA-OG 3.48Å; V147-S167 WeakPolarHBondContact CG2-OG 3.34Å
148	L	95.5	Very high	92.8	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.021	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-83.9	138.8	178.2	-62.9	174.8	0	0	0	110.3	I85 T100 L104 L146 M152 Y156 L166 S167 P170	I85-L148 HydrophobicContact CD1-CD1 4.43Å; T100-L148 HydrophobicContact CG2-CD1 3.79Å; L104-L148 HydrophobicContact CD1-CD1 3.98Å; L104-L148 HydrophobicContact CD1-CD2 4.18Å; L146-L148 HydrophobicContact CD2-CD2 4Å; L146-L148 HydrophobicContact CG-CD2 4.21Å; L148-M152 HydrophobicContact CB-SD 4.23Å; L148-M152 HydrophobicContact CD1-CE 4.3Å; L148-M152 HydrophobicContact CD1-SD 4.32Å; L148-Y156 HydrophobicContact CB-CE2 4.35Å; L148-Y156 HydrophobicContact CD2-CD1 4.23Å; L148-Y156 HydrophobicContact CD2-CD2 3.73Å; L148-Y156 HydrophobicContact CD2-CE1 4.17Å; L148-Y156 HydrophobicContact CD2-CE2 3.62Å; L148-Y156 HydrophobicContact CD2-CG 4.01Å; L148-L166 HydrophobicContact CD1-CB 4.07Å; L148-L166 HydrophobicContact CD1-CD1 4.16Å; L148-L166 HydrophobicContact CD1-CD2 4.38Å; L148-L166 HydrophobicContact CD1-CG 4.42Å; L148-L166 HydrophobicContact CD2-CD2 4.29Å; L148-L166 HydrophobicContact CG-CB 4.46Å; L148-L166 HydrophobicContact CG-CD2 4.39Å; L148-S167 WeakPolarHBondContact CB-O 3.5Å; L148-S167 PolarHBondContact N-O 3.1Å; L148-P170 HydrophobicContact CB-CB 4.38Å; L148-P170 HydrophobicContact CB-CG 4.48Å; L148-P170 HydrophobicContact CD1-CB 4.34Å; L148-P170 HydrophobicContact CD1-CG 4.03Å
149	H	92.9	Very high	92.6	Very high	70 Å²	70	66.5 Å²	66.5	32%	0.324	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-69.2	141.3	166.1	-57.6	123.9	0	0	0	111.3	W151 M152 S153 Y156	H149-W151 HydrophobicContact CB-CD2 3.61Å; H149-W151 VanDerWaalsContact CB-CE2 3.47Å; H149-W151 HydrophobicContact CB-CE3 3.71Å; H149-W151 HydrophobicContact CB-CG 4.31Å; H149-W151 HydrophobicContact CB-CH2 3.64Å; H149-W151 HydrophobicContact CB-CZ2 3.52Å; H149-W151 HydrophobicContact CB-CZ3 3.71Å; H149-W151 AromaticContact CD2-CH2 3.17Å; H149-W151 WeakPolarHBondContact CD2-CH2 3.39Å; H149-W151 AromaticContact CD2-CZ2 3.5Å; H149-W151 AromaticContact CD2-CZ3 3.83Å; H149-W151 AromaticContact CE1-CZ2 3.91Å; H149-W151 AromaticContact CG-CE2 3.69Å; H149-W151 AromaticContact CG-CH2 3.33Å; H149-W151 AromaticContact CG-CZ2 3.21Å; H149-W151 AromaticContact CG-CZ3 3.91Å; H149-W151 AromaticContact ND1-CE2 3.97Å; H149-W151 AromaticContact ND1-CH2 3.99Å; H149-W151 AromaticContact ND1-CZ2 3.46Å; H149-W151 WeakPolarHBondContact ND1-CZ2 3.47Å; H149-W151 AromaticContact NE2-CH2 3.81Å; H149-W151 AromaticContact NE2-CZ2 3.93Å; H149-W151 PolarHBondContact O-N 2.81Å; H149-M152 WeakPolarHBondContact O-CA 3.32Å; H149-M152 PolarHBondContact O-N 3.38Å; H149-S153 PolarHBondContact ND1-OG 3.07Å; H149-Y156 HydrophobicContact CB-CE2 4.46Å; H149-Y156 PolarHBondContact CE1-OH 3.37Å; H149-Y156 PolarHBondContact N-OH 3.45Å; H149-Y156 AromaticContact ND1-CZ 3.7Å; H149-Y156 PolarHBondContact ND1-OH 3.03Å
150	D	89.3	Confident	92.4	Very high	42 Å²	42	69 Å²	69	23%	0.225	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.2	-179.8	-71.4	4.9	0	0	0	112.9	M152 F169	D150-M152 VanDerWaalsContact C-N 3.28Å; D150-F169 WeakPolarHBondContact OD1-CA 3.25Å; D150-F169 WeakPolarHBondContact OD1-CB 3.4Å; D150-F169 PolarHBondContact OD1-N 3.07Å
151	W	87.5	Confident	92.3	Very high	64 Å²	64	66.4 Å²	66.4	24%	0.242	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12	176.3	70.4	81.1	0	0	0	114.1	H149 S172 K339 R342 A345	H149-W151 HydrophobicContact CB-CD2 3.61Å; H149-W151 VanDerWaalsContact CB-CE2 3.47Å; H149-W151 HydrophobicContact CB-CE3 3.71Å; H149-W151 HydrophobicContact CB-CG 4.31Å; H149-W151 HydrophobicContact CB-CH2 3.64Å; H149-W151 HydrophobicContact CB-CZ2 3.52Å; H149-W151 HydrophobicContact CB-CZ3 3.71Å; H149-W151 AromaticContact CD2-CH2 3.17Å; H149-W151 WeakPolarHBondContact CD2-CH2 3.39Å; H149-W151 AromaticContact CD2-CZ2 3.5Å; H149-W151 AromaticContact CD2-CZ3 3.83Å; H149-W151 AromaticContact CE1-CZ2 3.91Å; H149-W151 AromaticContact CG-CE2 3.69Å; H149-W151 AromaticContact CG-CH2 3.33Å; H149-W151 AromaticContact CG-CZ2 3.21Å; H149-W151 AromaticContact CG-CZ3 3.91Å; H149-W151 AromaticContact ND1-CE2 3.97Å; H149-W151 AromaticContact ND1-CH2 3.99Å; H149-W151 AromaticContact ND1-CZ2 3.46Å; H149-W151 WeakPolarHBondContact ND1-CZ2 3.47Å; H149-W151 AromaticContact NE2-CH2 3.81Å; H149-W151 AromaticContact NE2-CZ2 3.93Å; H149-W151 PolarHBondContact O-N 2.81Å; W151-S172 WeakPolarHBondContact O-CB 3.46Å; W151-S172 PolarHBondContact O-OG 3.13Å; W151-K339 WeakPolarHBondContact CZ3-O 3.5Å; W151-R342 HydrophobicContact CB-CB 3.69Å; W151-R342 HydrophobicContact CB-CG 3.43Å; W151-R342 VanDerWaalsContact CB-CG 3.43Å; W151-R342 HydrophobicContact CD2-CG 4.13Å; W151-R342 HydrophobicContact CE3-CG 4.33Å; W151-R342 HydrophobicContact CG-CG 3.78Å; W151-A345 HydrophobicContact CB-CB 3.99Å
152	M	90.5	Very high	92.2	Very high	8 Å²	8	67.8 Å²	67.8	4%	0.039	34%	0.341	C	S	.	.			trans	59.3	109.5	-174.6	-58.5	-65.2	-68.9	0	0	114.3	T100 L104 L148 H149 D150 Y156 P170 F175	T100-M152 HydrophobicContact CG2-CE 3.37Å; T100-M152 HydrophobicContact CG2-SD 3.88Å; L104-M152 HydrophobicContact CD1-CE 3.8Å; L104-M152 HydrophobicContact CD2-CE 4.21Å; L104-M152 HydrophobicContact CG-CE 4.08Å; L148-M152 HydrophobicContact CB-SD 4.23Å; L148-M152 HydrophobicContact CD1-CE 4.3Å; L148-M152 HydrophobicContact CD1-SD 4.32Å; H149-M152 WeakPolarHBondContact O-CA 3.32Å; H149-M152 PolarHBondContact O-N 3.38Å; D150-M152 VanDerWaalsContact C-N 3.28Å; M152-Y156 HydrophobicContact CE-CD2 3.88Å; M152-Y156 HydrophobicContact SD-CD2 4.3Å; M152-Y156 HydrophobicContact SD-CE2 4.44Å; M152-P170 HydrophobicContact CG-CB 4.36Å; M152-P170 HydrophobicContact SD-CB 3.41Å; M152-P170 WeakPolarHBondContact SD-CB 3.47Å; M152-F175 HydrophobicContact CB-CD2 3.2Å; M152-F175 HydrophobicContact CB-CE2 3.41Å; M152-F175 VanDerWaalsContact CB-CE2 3.41Å; M152-F175 HydrophobicContact CB-CG 3.89Å; M152-F175 HydrophobicContact CB-CZ 4.25Å; M152-F175 HydrophobicContact CE-CB 4.39Å; M152-F175 HydrophobicContact CE-CD1 3.96Å; M152-F175 HydrophobicContact CE-CD2 4.38Å; M152-F175 HydrophobicContact CE-CE1 4.34Å; M152-F175 HydrophobicContact CE-CG 3.97Å; M152-F175 HydrophobicContact CG-CB 4.45Å; M152-F175 HydrophobicContact CG-CD2 4Å; M152-F175 HydrophobicContact CG-CG 4.26Å
153	S	86	Confident	92.2	Very high	20 Å²	20	66.7 Å²	66.7	14%	0.14	33%	0.327	C	S	.	.			trans	-72.4	140.8	175.3	-65.8	0	0	0	0	111.7	H149 E155 Y156 F175	H149-S153 PolarHBondContact ND1-OG 3.07Å; S153-E155 VanDerWaalsContact CB-OE1 3.25Å; S153-E155 WeakPolarHBondContact CB-OE1 3.36Å; S153-E155 PolarHBondContact O-N 3.4Å; S153-E155 VanDerWaalsContact O-N 3.12Å; S153-E155 PolarHBondContact OG-OE1 2.83Å; S153-Y156 VanDerWaalsContact N-CE2 3.3Å; S153-Y156 WeakPolarHBondContact O-CB 3.45Å; S153-Y156 VanDerWaalsContact O-CD2 3.27Å; S153-Y156 WeakPolarHBondContact O-CD2 3.3Å; S153-Y156 PolarHBondContact O-N 2.92Å; S153-Y156 VanDerWaalsContact O-N 3.07Å; S153-F175 WeakPolarHBondContact O-CZ 3.24Å
154	E	86	Confident	92.2	Very high	113 Å²	113	65.5 Å²	65.5	53%	0.528	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-55.6	-29.9	175.7	-70.7	178.4	-168	0	0	113.2	A55 Y156 S157	A55-E154 HydrophobicContact CB-CG 4.45Å; A55-E154 WeakPolarHBondContact CB-OE1 3.41Å; E154-Y156 PolarHBondContact O-N 2.96Å; E154-Y156 VanDerWaalsContact O-N 3.1Å; E154-S157 VanDerWaalsContact O-CB 3.28Å; E154-S157 WeakPolarHBondContact O-CB 3.26Å; E154-S157 PolarHBondContact O-N 3.43Å; E154-S157 PolarHBondContact O-OG 3.4Å
155	E	87.9	Confident	92.3	Very high	123 Å²	123	61.3 Å²	61.3	58%	0.575	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-57.2	-25.4	177.7	74.4	-160.6	154.1	0	0	113.5	S153 S157 H158	S153-E155 VanDerWaalsContact CB-OE1 3.25Å; S153-E155 WeakPolarHBondContact CB-OE1 3.36Å; S153-E155 PolarHBondContact O-N 3.4Å; S153-E155 VanDerWaalsContact O-N 3.12Å; S153-E155 PolarHBondContact OG-OE1 2.83Å; E155-S157 PolarHBondContact O-N 3.02Å; E155-H158 PolarHBondContact O-N 2.99Å
156	Y	90.7	Very high	92.3	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.027	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-69.8	-11.5	178.5	-54	-29.7	0	0	0	113.3	L104 N108 L146 L148 H149 M152 S153 E154 H158 L159	L104-Y156 WeakPolarHBondContact CD2-O 3.25Å; N108-Y156 PolarHBondContact ND2-O 3.19Å; L146-Y156 HydrophobicContact CD2-CD1 4.38Å; L146-Y156 HydrophobicContact CD2-CE1 4.4Å; L148-Y156 HydrophobicContact CB-CE2 4.35Å; L148-Y156 HydrophobicContact CD2-CD1 4.23Å; L148-Y156 HydrophobicContact CD2-CD2 3.73Å; L148-Y156 HydrophobicContact CD2-CE1 4.17Å; L148-Y156 HydrophobicContact CD2-CE2 3.62Å; L148-Y156 HydrophobicContact CD2-CG 4.01Å; H149-Y156 HydrophobicContact CB-CE2 4.46Å; H149-Y156 PolarHBondContact CE1-OH 3.37Å; H149-Y156 PolarHBondContact N-OH 3.45Å; H149-Y156 AromaticContact ND1-CZ 3.7Å; H149-Y156 PolarHBondContact ND1-OH 3.03Å; M152-Y156 HydrophobicContact CE-CD2 3.88Å; M152-Y156 HydrophobicContact SD-CD2 4.3Å; M152-Y156 HydrophobicContact SD-CE2 4.44Å; S153-Y156 VanDerWaalsContact N-CE2 3.3Å; S153-Y156 WeakPolarHBondContact O-CB 3.45Å; S153-Y156 VanDerWaalsContact O-CD2 3.27Å; S153-Y156 WeakPolarHBondContact O-CD2 3.3Å; S153-Y156 PolarHBondContact O-N 2.92Å; S153-Y156 VanDerWaalsContact O-N 3.07Å; E154-Y156 PolarHBondContact O-N 2.96Å; E154-Y156 VanDerWaalsContact O-N 3.1Å; Y156-H158 PolarHBondContact O-N 3.01Å; Y156-L159 HydrophobicContact CD1-CD2 4.39Å
157	S	85.6	Confident	92.3	Very high	16 Å²	16	54 Å²	54	11%	0.112	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68	-15.8	174.5	62.1	0	0	0	0	114.1	N108 E154 E155	N108-S157 PolarHBondContact OD1-O 3.41Å; E154-S157 VanDerWaalsContact O-CB 3.28Å; E154-S157 WeakPolarHBondContact O-CB 3.26Å; E154-S157 PolarHBondContact O-N 3.43Å; E154-S157 PolarHBondContact O-OG 3.4Å; E155-S157 PolarHBondContact O-N 3.02Å
158	H	88.9	Confident	92.2	Very high	146 Å²	146	50 Å²	50	68%	0.676	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-137.9	56.9	-172.8	-61.5	-49.1	0	0	0	112.6	N108 E155 Y156	N108-H158 WeakPolarHBondContact OD1-CA 3.46Å; E155-H158 PolarHBondContact O-N 2.99Å; Y156-H158 PolarHBondContact O-N 3.01Å
159	L	92.1	Very high	92.2	Very high	27 Å²	27	54 Å²	54	14%	0.141	27%	0.267	C	S	.	.			trans	-86.7	132.5	177.4	-55.3	167	0	0	0	110.7	W83 N108 L146 Y156 L164	W83-L159 HydrophobicContact CH2-CB 3.61Å; W83-L159 HydrophobicContact CH2-CD1 3.71Å; W83-L159 HydrophobicContact CH2-CG 4.18Å; W83-L159 HydrophobicContact CZ2-CB 3.76Å; W83-L159 HydrophobicContact CZ2-CD1 4.36Å; W83-L159 HydrophobicContact CZ3-CD1 4.11Å; N108-L159 PolarHBondContact OD1-N 2.81Å; N108-L159 PolarHBondContact OD1-O 2.98Å; L146-L159 HydrophobicContact CD2-CD1 3.87Å; L146-L159 HydrophobicContact CD2-CD2 4Å; Y156-L159 HydrophobicContact CD1-CD2 4.39Å; L159-L164 HydrophobicContact CB-CD1 4.01Å; L159-L164 HydrophobicContact CD1-CD1 3.7Å; L159-L164 HydrophobicContact CG-CD1 4.37Å
160	Q	90.6	Very high	92.3	Very high	145 Å²	145	50.7 Å²	50.7	68%	0.678	25%	0.252	S	S	*	.			trans	-97.7	-20.1	-174.6	-62.6	-60.9	-28.8	0	0	113.5	R110	R110-Q160 PolarHBondContact NH2-O 2.93Å
161	D	94.7	Very high	92.5	Very high	72 Å²	72	49.5 Å²	49.5	39%	0.385	25%	0.247	S	C	.	.			trans	-62.9	127	-174.8	-66.8	-72.9	0	0	0	111.9	W83 F163 L164	W83-D161 PolarHBondContact NE1-O 2.89Å; D161-F163 VanDerWaalsContact C-N 3.34Å; D161-F163 PolarHBondContact O-N 2.86Å; D161-L164 HydrophobicContact CB-CD1 4.29Å; D161-L164 HydrophobicContact CB-CD2 3.57Å; D161-L164 HydrophobicContact CB-CG 3.72Å
162	P	94.6	Very high	92.8	Very high	52 Å²	52	46.5 Å²	46.5	34%	0.338	24%	0.235	S	C	.	.	S	Bend	trans	-71.6	-28.6	-178.3	26.8	-33	0	0	0	112.5	G81 T82	G81-P162 CarbonylContact C-O 3.58Å; G81-P162 WeakPolarHBondContact CA-O 3.35Å; T82-P162 PolarHBondContact N-O 3.04Å
163	F	97	Very high	93	Very high	71 Å²	71	46.9 Å²	46.9	31%	0.311	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	90.1	-176.2	-58	-71.1	0	0	0	110.6	T82 T141 P142 W143 Q144 D161	T82-F163 WeakPolarHBondContact O-CA 3.32Å; T141-F163 HydrophobicContact CG2-CB 4Å; T141-F163 HydrophobicContact CG2-CD1 3.59Å; T141-F163 HydrophobicContact CG2-CE1 4.29Å; T141-F163 HydrophobicContact CG2-CG 3.94Å; P142-F163 HydrophobicContact CG-CD2 4.31Å; W143-F163 HydrophobicContact CE3-CB 4.1Å; W143-F163 HydrophobicContact CZ3-CB 4.39Å; Q144-F163 PolarHBondContact N-O 3.1Å; D161-F163 VanDerWaalsContact C-N 3.34Å; D161-F163 PolarHBondContact O-N 2.86Å
164	L	97.8	Very high	93.2	Very high	3 Å²	3	46 Å²	46	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.7	178.3	-73.6	-178.8	0	0	0	112.6	W83 T84 W143 Q144 L146 L159 D161 L166	W83-L164 WeakPolarHBondContact CA-O 3.16Å; W83-L164 HydrophobicContact CD2-CB 4.13Å; W83-L164 HydrophobicContact CD2-CD1 4.1Å; W83-L164 HydrophobicContact CG-CB 3.91Å; W83-L164 HydrophobicContact CH2-CD1 4.08Å; W83-L164 HydrophobicContact CZ2-CD1 3.56Å; W83-L164 HydrophobicContact CZ2-CG 4.39Å; T84-L164 PolarHBondContact N-O 3.26Å; W143-L164 VanDerWaalsContact CE3-C 3.44Å; W143-L164 VanDerWaalsContact CZ3-O 3.25Å; W143-L164 WeakPolarHBondContact CZ3-O 3.3Å; Q144-L164 HydrophobicContact CB-CD2 3.89Å; Q144-L164 WeakPolarHBondContact O-CA 3.44Å; L146-L164 HydrophobicContact CB-CD2 4.41Å; L146-L164 HydrophobicContact CD2-CD1 4.5Å; L159-L164 HydrophobicContact CB-CD1 4.01Å; L159-L164 HydrophobicContact CD1-CD1 3.7Å; L159-L164 HydrophobicContact CG-CD1 4.37Å; D161-L164 HydrophobicContact CB-CD1 4.29Å; D161-L164 HydrophobicContact CB-CD2 3.57Å; D161-L164 HydrophobicContact CB-CG 3.72Å; L164-L166 HydrophobicContact CB-CD2 4.18Å; L164-L166 HydrophobicContact CD1-CD2 4.26Å
165	K	98.2	Very high	93.4	Very high	23 Å²	23	40.7 Å²	40.7	10%	0.1	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	98.4	166.4	-168	156.1	-163.1	169.7	0	109.1	T84 Q115 D138 W143 Q144 H145 L146	T84-K165 HydrophobicContact CG2-CB 4.22Å; T84-K165 HydrophobicContact CG2-CD 4.11Å; T84-K165 HydrophobicContact CG2-CG 3.82Å; Q115-K165 VanDerWaalsContact NE2-CE 3.3Å; D138-K165 IonicContact OD1-NZ 2.77Å; D138-K165 PolarHBondContact OD1-NZ 3.25Å; D138-K165 IonicContact OD2-NZ 2.81Å; D138-K165 PolarHBondContact OD2-NZ 2.92Å; W143-K165 HydrophobicContact CB-CB 3.82Å; W143-K165 HydrophobicContact CB-CD 4.41Å; W143-K165 HydrophobicContact CD2-CB 3.93Å; W143-K165 HydrophobicContact CD2-CD 4.26Å; W143-K165 HydrophobicContact CE3-CB 3.97Å; W143-K165 HydrophobicContact CG-CB 3.88Å; W143-K165 HydrophobicContact CG-CD 3.96Å; Q144-K165 PolarHBondContact O-N 3Å; H145-K165 WeakPolarHBondContact CA-O 3.06Å; L146-K165 PolarHBondContact N-O 3.28Å
166	L	98	Very high	93.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	156.1	-177.7	-53.3	173.6	0	0	0	110.4	T84 I85 T86 L101 L104 L146 L148 L164	T84-L166 WeakPolarHBondContact O-CB 3.24Å; T84-L166 WeakPolarHBondContact O-CG 3.4Å; T84-L166 PolarHBondContact O-N 3.16Å; I85-L166 WeakPolarHBondContact CA-O 3.28Å; I85-L166 HydrophobicContact CB-CB 3.97Å; I85-L166 HydrophobicContact CD1-CB 3.92Å; I85-L166 HydrophobicContact CG1-CB 3.79Å; T86-L166 PolarHBondContact N-O 3.22Å; L101-L166 HydrophobicContact CD1-CD1 4.05Å; L104-L166 HydrophobicContact CD1-CD1 4.07Å; L146-L166 HydrophobicContact CB-CD2 4.07Å; L146-L166 HydrophobicContact CD2-CD2 4Å; L146-L166 HydrophobicContact CG-CD2 4.38Å; L146-L166 CarbonylContact O-C 3.56Å; L146-L166 WeakPolarHBondContact O-CA 3.45Å; L148-L166 HydrophobicContact CD1-CB 4.07Å; L148-L166 HydrophobicContact CD1-CD1 4.16Å; L148-L166 HydrophobicContact CD1-CD2 4.38Å; L148-L166 HydrophobicContact CD1-CG 4.42Å; L148-L166 HydrophobicContact CD2-CD2 4.29Å; L148-L166 HydrophobicContact CG-CB 4.46Å; L148-L166 HydrophobicContact CG-CD2 4.39Å; L164-L166 HydrophobicContact CB-CD2 4.18Å; L164-L166 HydrophobicContact CD1-CD2 4.26Å
167	S	97.7	Very high	93.9	Very high	28 Å²	28	36.1 Å²	36.1	20%	0.196	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	178.1	174.9	59.5	0	0	0	0	111.2	L146 V147 L148	L146-S167 PolarHBondContact O-N 3.27Å; L146-S167 PolarHBondContact O-OG 2.78Å; V147-S167 WeakPolarHBondContact CA-OG 3.48Å; V147-S167 WeakPolarHBondContact CG2-OG 3.34Å; L148-S167 WeakPolarHBondContact CB-O 3.5Å; L148-S167 PolarHBondContact N-O 3.1Å
168	G	95.7	Very high	94.1	Very high	17 Å²	17	37.7 Å²	37.7	18%	0.175	19%	0.189	C	C	.	.	S	Bend	trans	102.2	-169.3	-174.2	0	0	0	0	0	112.6	Q97 P170	Q97-G168 PolarHBondContact NE2-O 3.38Å; G168-P170 VanDerWaalsContact O-CD 3.3Å; G168-P170 WeakPolarHBondContact O-CD 3.45Å
169	F	95.4	Very high	94.4	Very high	88 Å²	88	31.4 Å²	31.4	39%	0.386	16%	0.161	S	C	.	.			trans	-118.7	49.6	-178.9	-59.7	-74.5	0	0	0	112.6	A88 N93 D150 C171	A88-F169 HydrophobicContact CB-CE1 3.69Å; A88-F169 HydrophobicContact CB-CZ 4.05Å; N93-F169 HydrophobicContact CB-CD1 3.97Å; N93-F169 HydrophobicContact CB-CE1 4.48Å; N93-F169 WeakPolarHBondContact ND2-CD1 3.3Å; D150-F169 WeakPolarHBondContact OD1-CA 3.25Å; D150-F169 WeakPolarHBondContact OD1-CB 3.4Å; D150-F169 PolarHBondContact OD1-N 3.07Å; F169-C171 PolarHBondContact O-N 3.3Å
170	P	95.1	Very high	94.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.			trans	-59.7	126.6	-176.7	31.1	-38.5	0	0	0	111	I85 G96 Q97 T100 L148 M152 G168	I85-P170 HydrophobicContact CD1-CG 4.15Å; G96-P170 CarbonylContact C-O 3.57Å; G96-P170 VanDerWaalsContact CA-O 3.22Å; G96-P170 WeakPolarHBondContact CA-O 3.45Å; Q97-P170 HydrophobicContact CG-CG 4.32Å; T100-P170 HydrophobicContact CG2-CB 3.83Å; T100-P170 HydrophobicContact CG2-CG 3.87Å; L148-P170 HydrophobicContact CB-CB 4.38Å; L148-P170 HydrophobicContact CB-CG 4.48Å; L148-P170 HydrophobicContact CD1-CB 4.34Å; L148-P170 HydrophobicContact CD1-CG 4.03Å; M152-P170 HydrophobicContact CG-CB 4.36Å; M152-P170 HydrophobicContact SD-CB 3.41Å; M152-P170 WeakPolarHBondContact SD-CB 3.47Å; G168-P170 VanDerWaalsContact O-CD 3.3Å; G168-P170 WeakPolarHBondContact O-CD 3.45Å
171	C	93.4	Very high	94.9	Very high	17 Å²	17	32.3 Å²	32.3	12%	0.115	16%	0.162	C	C	.	.			trans	-149.7	41.7	179.1	-166.2	0	0	0	0	110.5	F169 T311 F314	F169-C171 PolarHBondContact O-N 3.3Å; C171-T311 HydrophobicContact CB-CG2 3.96Å; C171-F314 WeakPolarHBondContact SG-CD1 3.29Å
172	S	93.8	Very high	95	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.			trans	-97	121.3	178.6	-176.8	0	0	0	0	111.9	W151 T174 F175 F176 A345	W151-S172 WeakPolarHBondContact O-CB 3.46Å; W151-S172 PolarHBondContact O-OG 3.13Å; S172-T174 PolarHBondContact O-N 2.96Å; S172-T174 VanDerWaalsContact O-N 3.13Å; S172-T174 WeakPolarHBondContact OG-CG2 3.46Å; S172-T174 PolarHBondContact OG-N 3.22Å; S172-T174 PolarHBondContact OG-OG1 2.86Å; S172-F175 PolarHBondContact O-N 3.49Å; S172-F176 WeakPolarHBondContact O-CD1 3.43Å; S172-F176 WeakPolarHBondContact O-CE1 3.21Å; S172-A345 WeakPolarHBondContact CA-O 3.34Å; S172-A345 WeakPolarHBondContact CB-O 3.42Å; S172-A345 WeakPolarHBondContact OG-CB 3.38Å; S172-A345 PolarHBondContact OG-O 3.18Å
173	W	93.7	Very high	95.2	Very high	16 Å²	16	29.2 Å²	29.2	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-29	176.7	68.9	-94	0	0	0	112.1	M56 F175 F176 H177 F314 K344 A345 F347 L348 P349	M56-W173 HydrophobicContact CE-CH2 4.29Å; M56-W173 HydrophobicContact CE-CZ3 3.69Å; W173-F175 PolarHBondContact O-N 2.85Å; W173-F176 VanDerWaalsContact CA-CZ 3.48Å; W173-F176 HydrophobicContact CB-CE2 4.19Å; W173-F176 HydrophobicContact CB-CZ 4.2Å; W173-F176 PolarHBondContact O-N 3.34Å; W173-F176 VanDerWaalsContact O-N 3.16Å; W173-H177 HydrophobicContact CE3-CB 3.69Å; W173-H177 AromaticContact CE3-CG 3.84Å; W173-H177 HydrophobicContact CZ3-CB 4.36Å; W173-H177 WeakPolarHBondContact O-CA 2.91Å; W173-H177 WeakPolarHBondContact O-CB 3.25Å; W173-H177 PolarHBondContact O-N 2.96Å; W173-F314 HydrophobicContact CB-CZ 4.35Å; W173-K344 PolarHBondContact NE1-O 3.12Å; W173-A345 PolarHBondContact N-O 3.29Å; W173-F347 PolarHBondContact NE1-O 3.42Å; W173-L348 HydrophobicContact CB-CD1 4.01Å; W173-L348 HydrophobicContact CB-CG 4.47Å; W173-L348 HydrophobicContact CD2-CG 4.35Å; W173-L348 HydrophobicContact CG-CD1 4.1Å; W173-L348 HydrophobicContact CG-CG 4.21Å; W173-P349 HydrophobicContact CH2-CG 3.87Å; W173-P349 HydrophobicContact CZ2-CG 3.73Å
174	T	91.2	Very high	95.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-56.7	-26.1	-174.8	65.8	0	0	0	0	114	V54 V57 S172 A345	V54-T174 HydrophobicContact CG1-CG2 3.19Å; V57-T174 PolarHBondContact N-O 3.13Å; S172-T174 PolarHBondContact O-N 2.96Å; S172-T174 VanDerWaalsContact O-N 3.13Å; S172-T174 WeakPolarHBondContact OG-CG2 3.46Å; S172-T174 PolarHBondContact OG-N 3.22Å; S172-T174 PolarHBondContact OG-OG1 2.86Å; T174-A345 HydrophobicContact CG2-CB 4.24Å
175	F	89.8	Confident	95.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-97.6	-26.7	-178.7	-94.4	-101.1	0	0	0	114.5	V57 A103 L104 M152 S153 S172 W173 H178	V57-F175 HydrophobicContact CB-CD1 4.4Å; V57-F175 HydrophobicContact CB-CE1 4.24Å; V57-F175 HydrophobicContact CB-CE2 4.38Å; V57-F175 HydrophobicContact CB-CZ 4.23Å; V57-F175 HydrophobicContact CG1-CE1 4.24Å; V57-F175 HydrophobicContact CG2-CD2 4.23Å; V57-F175 HydrophobicContact CG2-CE1 4.11Å; V57-F175 HydrophobicContact CG2-CE2 3.68Å; V57-F175 HydrophobicContact CG2-CZ 3.62Å; A103-F175 VanDerWaalsContact CB-O 3.3Å; A103-F175 WeakPolarHBondContact CB-O 3.17Å; L104-F175 HydrophobicContact CD2-CD1 3.59Å; L104-F175 HydrophobicContact CD2-CE1 3.6Å; L104-F175 HydrophobicContact CG-CD1 4.44Å; M152-F175 HydrophobicContact CB-CD2 3.2Å; M152-F175 HydrophobicContact CB-CE2 3.41Å; M152-F175 VanDerWaalsContact CB-CE2 3.41Å; M152-F175 HydrophobicContact CB-CG 3.89Å; M152-F175 HydrophobicContact CB-CZ 4.25Å; M152-F175 HydrophobicContact CE-CB 4.39Å; M152-F175 HydrophobicContact CE-CD1 3.96Å; M152-F175 HydrophobicContact CE-CD2 4.38Å; M152-F175 HydrophobicContact CE-CE1 4.34Å; M152-F175 HydrophobicContact CE-CG 3.97Å; M152-F175 HydrophobicContact CG-CB 4.45Å; M152-F175 HydrophobicContact CG-CD2 4Å; M152-F175 HydrophobicContact CG-CG 4.26Å; S153-F175 WeakPolarHBondContact O-CZ 3.24Å; S172-F175 PolarHBondContact O-N 3.49Å; W173-F175 PolarHBondContact O-N 2.85Å; F175-H178 PolarHBondContact O-CE1 2.98Å; F175-H178 PolarHBondContact O-ND1 2.83Å
176	F	92.9	Very high	95.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-113.3	-7	-177.7	58.9	-108.9	0	0	0	113.8	A99 A103 S172 W173 H178 L179 I183 F314 W315 Y318	A99-F176 HydrophobicContact CB-CB 4.28Å; A99-F176 HydrophobicContact CB-CD1 3.98Å; A99-F176 HydrophobicContact CB-CE1 4.46Å; A99-F176 HydrophobicContact CB-CG 4.07Å; A103-F176 HydrophobicContact CB-CB 4.02Å; S172-F176 WeakPolarHBondContact O-CD1 3.43Å; S172-F176 WeakPolarHBondContact O-CE1 3.21Å; W173-F176 VanDerWaalsContact CA-CZ 3.48Å; W173-F176 HydrophobicContact CB-CE2 4.19Å; W173-F176 HydrophobicContact CB-CZ 4.2Å; W173-F176 PolarHBondContact O-N 3.34Å; W173-F176 VanDerWaalsContact O-N 3.16Å; F176-H178 VanDerWaalsContact C-N 3.32Å; F176-H178 PolarHBondContact O-N 3.46Å; F176-L179 CarbonylContact O-C 3.58Å; F176-L179 WeakPolarHBondContact O-CA 3.25Å; F176-L179 WeakPolarHBondContact O-CB 3.4Å; F176-L179 PolarHBondContact O-N 3.42Å; F176-I183 HydrophobicContact CB-CD1 4.35Å; F176-I183 HydrophobicContact CB-CG1 4.33Å; F176-F314 AromaticContact CZ-CE1 3.92Å; F176-F314 HydrophobicContact CZ-CE1 3.92Å; F176-F314 AromaticContact CZ-CZ 3.96Å; F176-F314 HydrophobicContact CZ-CZ 3.96Å; F176-W315 HydrophobicContact CD2-CH2 4.18Å; F176-W315 HydrophobicContact CE1-CH2 4.16Å; F176-W315 HydrophobicContact CE1-CZ2 4.04Å; F176-W315 AromaticContact CE2-CH2 3.69Å; F176-W315 HydrophobicContact CE2-CH2 3.69Å; F176-W315 HydrophobicContact CE2-CZ2 4.29Å; F176-W315 HydrophobicContact CE2-CZ3 4.31Å; F176-W315 AromaticContact CZ-CH2 3.68Å; F176-W315 HydrophobicContact CZ-CH2 3.68Å; F176-W315 AromaticContact CZ-CZ2 3.79Å; F176-W315 HydrophobicContact CZ-CZ2 3.79Å; F176-Y318 HydrophobicContact CD2-CE1 4.35Å; F176-Y318 HydrophobicContact CE2-CD1 4.49Å; F176-Y318 AromaticContact CE2-CE1 3.96Å; F176-Y318 HydrophobicContact CE2-CE1 3.96Å; F176-Y318 HydrophobicContact CE2-CE2 4.03Å; F176-Y318 AromaticContact CE2-CZ 3.7Å
177	H	94.9	Very high	95.3	Very high	33 Å²	33	37 Å²	37	15%	0.153	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-68.8	-29.5	-175.3	-166.6	74.1	0	0	0	113.5	W173 L179 R180 Y318	W173-H177 HydrophobicContact CE3-CB 3.69Å; W173-H177 AromaticContact CE3-CG 3.84Å; W173-H177 HydrophobicContact CZ3-CB 4.36Å; W173-H177 WeakPolarHBondContact O-CA 2.91Å; W173-H177 WeakPolarHBondContact O-CB 3.25Å; W173-H177 PolarHBondContact O-N 2.96Å; H177-L179 PolarHBondContact O-N 3.29Å; H177-R180 VanDerWaalsContact O-CB 3.23Å; H177-R180 WeakPolarHBondContact O-CB 3.49Å; H177-R180 PolarHBondContact O-N 3.44Å; H177-Y318 AromaticContact ND1-CE2 3.44Å; H177-Y318 WeakPolarHBondContact ND1-CE2 3.48Å; H177-Y318 AromaticContact ND1-CZ 3.62Å; H177-Y318 PolarHBondContact ND1-OH 2.95Å
178	H	91.6	Very high	95.3	Very high	49 Å²	49	38.4 Å²	38.4	23%	0.227	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-64.1	-18.2	171.3	70.2	-90.2	0	0	0	112.7	V57 C58 F175 F176	V57-H178 PolarHBondContact O-CE1 2.82Å; V57-H178 PolarHBondContact O-ND1 3.33Å; C58-H178 HydrophobicContact CB-CB 4.43Å; F175-H178 PolarHBondContact O-CE1 2.98Å; F175-H178 PolarHBondContact O-ND1 2.83Å; F176-H178 VanDerWaalsContact C-N 3.32Å; F176-H178 PolarHBondContact O-N 3.46Å
179	L	95	Very high	95.4	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.079	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-101.4	17.8	173.3	-56.9	-177.5	0	0	0	112.8	L59 A103 F176 H177 E181 Q182 I183	L59-L179 HydrophobicContact CD1-CD2 3.73Å; A103-L179 HydrophobicContact CB-CD1 3.9Å; F176-L179 CarbonylContact O-C 3.58Å; F176-L179 WeakPolarHBondContact O-CA 3.25Å; F176-L179 WeakPolarHBondContact O-CB 3.4Å; F176-L179 PolarHBondContact O-N 3.42Å; H177-L179 PolarHBondContact O-N 3.29Å; L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 PolarHBondContact O-N 2.98Å; L179-E181 VanDerWaalsContact O-N 3.07Å; L179-Q182 HydrophobicContact CB-CB 4.39Å; L179-Q182 CarbonylContact O-C 3.56Å; L179-Q182 WeakPolarHBondContact O-CA 3.28Å; L179-Q182 WeakPolarHBondContact O-CB 3.4Å; L179-Q182 PolarHBondContact O-N 3.49Å; L179-I183 HydrophobicContact CB-CG1 4.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.43Å; L179-I183 PolarHBondContact O-N 3.49Å
180	R	95.9	Very high	95.6	Very high	64 Å²	64	36.1 Å²	36.1	24%	0.242	17%	0.165	C	C	.	.	H	α-helix	trans	-47.8	-44.9	-171.5	-176.2	177	-165.6	174.3	2.1	113.6	H177 Q182 I183 R184 Y318	H177-R180 VanDerWaalsContact O-CB 3.23Å; H177-R180 WeakPolarHBondContact O-CB 3.49Å; H177-R180 PolarHBondContact O-N 3.44Å; R180-Q182 PolarHBondContact O-N 2.82Å; R180-I183 PolarHBondContact O-N 3.25Å; R180-R184 VanDerWaalsContact O-CG 3.3Å; R180-R184 WeakPolarHBondContact O-CG 3.3Å; R180-R184 PolarHBondContact O-N 3.5Å; R180-Y318 HydrophobicContact CG-CE1 4.39Å
181	E	96.8	Very high	95.7	Very high	126 Å²	126	39 Å²	39	59%	0.589	18%	0.181	S	C	*	.	H	α-helix	trans	-66.5	-35.2	178.9	-66.1	-50.9	123.5	0	0	113.3	L179 K185	L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 PolarHBondContact O-N 2.98Å; L179-E181 VanDerWaalsContact O-N 3.07Å; E181-K185 WeakPolarHBondContact O-CG 3.45Å; E181-K185 PolarHBondContact O-N 3.24Å
182	Q	97.5	Very high	95.9	Very high	60 Å²	60	44.1 Å²	44.1	28%	0.28	20%	0.202	S	C	.	.	H	α-helix	trans	-70	-46.6	172.5	-177.2	172.9	4.1	0	0	110.7	L102 Q106 L179 R180 R184 K185 E186	L102-Q182 HydrophobicContact CD2-CG 4.2Å; Q106-Q182 VanDerWaalsContact NE2-CD 3.34Å; L179-Q182 HydrophobicContact CB-CB 4.39Å; L179-Q182 CarbonylContact O-C 3.56Å; L179-Q182 WeakPolarHBondContact O-CA 3.28Å; L179-Q182 WeakPolarHBondContact O-CB 3.4Å; L179-Q182 PolarHBondContact O-N 3.49Å; R180-Q182 PolarHBondContact O-N 2.82Å; Q182-R184 PolarHBondContact O-N 3.41Å; Q182-K185 WeakPolarHBondContact O-CA 3.48Å; Q182-K185 WeakPolarHBondContact O-CB 3.22Å; Q182-K185 PolarHBondContact O-N 2.83Å; Q182-E186 HydrophobicContact CG-CG 4.37Å; Q182-E186 WeakPolarHBondContact O-CG 3.41Å; Q182-E186 PolarHBondContact O-N 3.11Å
183	I	97.8	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-40.2	176.8	-64.7	-63.2	0	0	0	111.4	A99 L102 F176 L179 R180 K185 E186 F187 W315 Y318	A99-I183 HydrophobicContact CB-CD1 3.7Å; L102-I183 HydrophobicContact CD2-CD1 3.91Å; F176-I183 HydrophobicContact CB-CD1 4.35Å; F176-I183 HydrophobicContact CB-CG1 4.33Å; L179-I183 HydrophobicContact CB-CG1 4.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.43Å; L179-I183 PolarHBondContact O-N 3.49Å; R180-I183 PolarHBondContact O-N 3.25Å; I183-K185 VanDerWaalsContact C-N 3.31Å; I183-K185 PolarHBondContact O-N 3.24Å; I183-E186 PolarHBondContact O-N 3.04Å; I183-F187 HydrophobicContact CG2-CD2 3.73Å; I183-F187 HydrophobicContact CG2-CE2 3.79Å; I183-F187 PolarHBondContact O-N 3.19Å; I183-W315 HydrophobicContact CG2-CH2 4.04Å; I183-W315 HydrophobicContact CG2-CZ3 3.72Å; I183-Y318 HydrophobicContact CG2-CE1 4.1Å
184	R	97.3	Very high	96.3	Very high	97 Å²	97	48.3 Å²	48.3	37%	0.366	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-37.3	173.6	-72.9	176.2	79.9	81.8	2.5	112.4	R180 Q182 F187 T188 L319	R180-R184 VanDerWaalsContact O-CG 3.3Å; R180-R184 WeakPolarHBondContact O-CG 3.3Å; R180-R184 PolarHBondContact O-N 3.5Å; Q182-R184 PolarHBondContact O-N 3.41Å; R184-F187 CarbonylContact O-C 3.5Å; R184-T188 PolarHBondContact O-N 3.43Å; R184-T188 PolarHBondContact O-OG1 3.41Å; R184-L319 HydrophobicContact CG-CD2 4.36Å; R184-L319 PolarHBondContact NH1-O 2.92Å
185	K	98.1	Very high	96.6	Very high	145 Å²	145	53.3 Å²	53.3	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-67.9	-46.6	175.4	-69.5	171.3	-175.1	176.9	0	111.5	E181 Q182 I183 F187 T188	E181-K185 WeakPolarHBondContact O-CG 3.45Å; E181-K185 PolarHBondContact O-N 3.24Å; Q182-K185 WeakPolarHBondContact O-CA 3.48Å; Q182-K185 WeakPolarHBondContact O-CB 3.22Å; Q182-K185 PolarHBondContact O-N 2.83Å; I183-K185 VanDerWaalsContact C-N 3.31Å; I183-K185 PolarHBondContact O-N 3.24Å; K185-F187 VanDerWaalsContact C-N 3.25Å; K185-F187 PolarHBondContact O-N 3.06Å; K185-T188 WeakPolarHBondContact O-CB 3.41Å; K185-T188 PolarHBondContact O-N 3.16Å; K185-T188 VanDerWaalsContact O-N 3.13Å; K185-T188 PolarHBondContact O-OG1 3.22Å
186	E	98.4	Very high	97	Very high	11 Å²	11	55.3 Å²	55.3	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-39.8	178	-60.8	-58.5	156.3	0	0	111.9	Y98 L102 R127 I128 S129 Q182 I183 T188	Y98-E186 HydrophobicContact CE1-CB 3.88Å; Y98-E186 HydrophobicContact CE1-CG 3.95Å; Y98-E186 PolarHBondContact OH-OE2 3.2Å; L102-E186 HydrophobicContact CD2-CG 3.86Å; R127-E186 CarbonylContact C-O 3.53Å; I128-E186 WeakPolarHBondContact CG2-O 3.45Å; I128-E186 PolarHBondContact N-O 3.43Å; S129-E186 VanDerWaalsContact CB-OE2 3.27Å; S129-E186 WeakPolarHBondContact CB-OE2 3.28Å; S129-E186 PolarHBondContact N-OE2 3.16Å; S129-E186 PolarHBondContact OG-OE1 3.04Å; S129-E186 PolarHBondContact OG-OE2 3.42Å; Q182-E186 HydrophobicContact CG-CG 4.37Å; Q182-E186 WeakPolarHBondContact O-CG 3.41Å; Q182-E186 PolarHBondContact O-N 3.11Å; I183-E186 PolarHBondContact O-N 3.04Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 3.46Å
187	F	98.5	Very high	97.2	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.035	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	31.8	178.9	-57.4	-39	0	0	0	113.7	M95 Y98 A99 F126 I128 I183 R184 K185 L189 W315 L319	M95-F187 HydrophobicContact CB-CE2 4.45Å; M95-F187 HydrophobicContact CB-CZ 4.09Å; M95-F187 HydrophobicContact CE-CB 4.41Å; M95-F187 HydrophobicContact CE-CD1 4.15Å; M95-F187 HydrophobicContact CE-CD2 3.74Å; M95-F187 HydrophobicContact CE-CE1 4.36Å; M95-F187 HydrophobicContact CE-CE2 3.96Å; M95-F187 HydrophobicContact CE-CG 3.85Å; M95-F187 HydrophobicContact CE-CZ 4.27Å; M95-F187 HydrophobicContact CG-CE1 4.49Å; M95-F187 HydrophobicContact CG-CZ 4.43Å; Y98-F187 AromaticContact CD1-CE1 3.8Å; Y98-F187 HydrophobicContact CD1-CE1 3.8Å; Y98-F187 AromaticContact CD1-CZ 3.73Å; Y98-F187 HydrophobicContact CD1-CZ 3.73Å; Y98-F187 HydrophobicContact CE1-CE1 4.34Å; Y98-F187 HydrophobicContact CG-CE1 4.17Å; Y98-F187 HydrophobicContact CG-CZ 4.23Å; A99-F187 HydrophobicContact CB-CE2 4.4Å; F126-F187 HydrophobicContact CB-CD1 4.43Å; F126-F187 VanDerWaalsContact CD1-C 3.5Å; F126-F187 HydrophobicContact CD1-CB 3.97Å; F126-F187 VanDerWaalsContact CD1-O 3.26Å; F126-F187 WeakPolarHBondContact CD1-O 3.31Å; F126-F187 AromaticContact CD2-CD1 3.71Å; F126-F187 HydrophobicContact CD2-CD1 3.71Å; F126-F187 HydrophobicContact CD2-CE1 4.39Å; F126-F187 HydrophobicContact CD2-CG 4.47Å; F126-F187 HydrophobicContact CE1-CB 4.03Å; F126-F187 HydrophobicContact CE2-CD1 4.01Å; F126-F187 HydrophobicContact CE2-CG 4.49Å; F126-F187 HydrophobicContact CG-CB 4.24Å; F126-F187 HydrophobicContact CG-CD1 4Å; F126-F187 HydrophobicContact CZ-CB 4.36Å; I128-F187 HydrophobicContact CG2-CD1 4.27Å; I128-F187 HydrophobicContact CG2-CE1 4.27Å; I183-F187 HydrophobicContact CG2-CD2 3.73Å; I183-F187 HydrophobicContact CG2-CE2 3.79Å; I183-F187 PolarHBondContact O-N 3.19Å; R184-F187 CarbonylContact O-C 3.5Å; K185-F187 VanDerWaalsContact C-N 3.25Å; K185-F187 PolarHBondContact O-N 3.06Å; F187-L189 PolarHBondContact O-N 3.37Å; F187-W315 HydrophobicContact CD2-CE3 4.13Å; F187-W315 HydrophobicContact CD2-CH2 4.49Å; F187-W315 AromaticContact CD2-CZ3 3.84Å; F187-W315 HydrophobicContact CD2-CZ3 3.84Å; F187-W315 AromaticContact CE2-CE3 3.95Å; F187-W315 HydrophobicContact CE2-CE3 3.95Å; F187-W315 AromaticContact CE2-CH2 3.7Å; F187-W315 HydrophobicContact CE2-CH2 3.7Å; F187-W315 HydrophobicContact CE2-CZ2 4.31Å; F187-W315 AromaticContact CE2-CZ3 3.48Å; F187-W315 HydrophobicContact CE2-CZ3 3.48Å; F187-W315 VanDerWaalsContact CE2-CZ3 3.48Å; F187-L319 HydrophobicContact CB-CD1 3.67Å; F187-L319 HydrophobicContact CB-CD2 4.17Å; F187-L319 HydrophobicContact CD2-CD1 4.21Å; F187-L319 HydrophobicContact CD2-CD2 4.25Å; F187-L319 HydrophobicContact CG-CD1 4.3Å
188	T	98.3	Very high	97.2	Very high	57 Å²	57	58.6 Å²	58.6	35%	0.35	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-70.1	124.2	170.1	-58.9	0	0	0	0	110.1	F126 R127 R184 K185 E186	F126-T188 CarbonylContact C-O 3.42Å; F126-T188 VanDerWaalsContact CA-O 3.3Å; F126-T188 WeakPolarHBondContact CA-O 3.23Å; R127-T188 PolarHBondContact N-O 3.49Å; R184-T188 PolarHBondContact O-N 3.43Å; R184-T188 PolarHBondContact O-OG1 3.41Å; K185-T188 WeakPolarHBondContact O-CB 3.41Å; K185-T188 PolarHBondContact O-N 3.16Å; K185-T188 VanDerWaalsContact O-N 3.13Å; K185-T188 PolarHBondContact O-OG1 3.22Å; E186-T188 VanDerWaalsContact C-N 3.32Å; E186-T188 PolarHBondContact O-N 3.46Å
189	L	98.6	Very high	97.4	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.068	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-62	148.1	176.4	-65.2	171	0	0	0	112.4	V125 F126 F187 R194 A297 Q301	V125-L189 HydrophobicContact CG1-CD2 3.82Å; V125-L189 WeakPolarHBondContact O-CA 3.48Å; F126-L189 HydrophobicContact CD1-CD2 4.11Å; F126-L189 HydrophobicContact CE1-CD2 3.8Å; F187-L189 PolarHBondContact O-N 3.37Å; L189-R194 HydrophobicContact CB-CB 4.32Å; L189-R194 HydrophobicContact CD1-CB 4.47Å; L189-A297 HydrophobicContact CD1-CB 3.79Å; L189-A297 HydrophobicContact CD2-CB 4.08Å; L189-Q301 HydrophobicContact CD1-CG 4.34Å
190	H	98.4	Very high	97.3	Very high	44 Å²	44	65.5 Å²	65.5	20%	0.204	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-65.2	148.2	162.7	-70.6	-62.9	0	0	0	111.5	A123 P124 V125 F126 H192 L193 R194	A123-H190 PolarHBondContact O-NE2 2.9Å; P124-H190 PolarHBondContact O-CD2 3.41Å; V125-H190 PolarHBondContact O-N 3.25Å; V125-H190 VanDerWaalsContact O-N 3.16Å; F126-H190 PolarHBondContact O-NE2 3.1Å; H190-H192 VanDerWaalsContact C-N 3.32Å; H190-H192 PolarHBondContact O-N 2.81Å; H190-L193 PolarHBondContact O-N 2.87Å; H190-L193 VanDerWaalsContact O-N 3.07Å; H190-R194 PolarHBondContact O-N 3.01Å; H190-R194 VanDerWaalsContact O-N 3.1Å
191	D	98.2	Very high	97.2	Very high	61 Å²	61	63 Å²	63	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-58.4	-42.3	-170.9	-62.8	-51.9	0	0	0	112.2	R127 L193 R194 E195	R127-D191 IonicContact NH2-OD2 2.75Å; R127-D191 PolarHBondContact NH2-OD2 3.16Å; D191-L193 VanDerWaalsContact C-N 3.3Å; D191-L193 PolarHBondContact O-N 3.37Å; D191-R194 PolarHBondContact O-N 3.42Å; D191-R194 IonicContact OD1-CZ 3.27Å; D191-R194 VanDerWaalsContact OD1-CZ 3.27Å; D191-R194 IonicContact OD1-NH1 3.39Å; D191-R194 PolarHBondContact OD1-NH1 3.45Å; D191-R194 IonicContact OD1-NH2 2.71Å; D191-R194 PolarHBondContact OD1-NH2 2.78Å; D191-E195 VanDerWaalsContact O-CB 3.28Å; D191-E195 WeakPolarHBondContact O-CB 3.45Å; D191-E195 VanDerWaalsContact O-CG 3.24Å; D191-E195 WeakPolarHBondContact O-CG 3.39Å; D191-E195 PolarHBondContact O-N 3.05Å
192	H	97.5	Very high	96.9	Very high	123 Å²	123	59.3 Å²	59.3	57%	0.569	29%	0.294	S	S	*	.	H	α-helix	trans	-61.1	-34	179.3	74.1	-82.9	0	0	0	113.8	H190 G196	H190-H192 VanDerWaalsContact C-N 3.32Å; H190-H192 PolarHBondContact O-N 2.81Å; H192-G196 PolarHBondContact O-N 2.92Å; H192-G196 VanDerWaalsContact O-N 3.08Å
193	L	98.1	Very high	96.5	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.094	30%	0.3	C	S	.	.	H	α-helix	trans	-74.4	-44.6	175.5	-67.8	177.8	0	0	0	110.7	V125 H190 D191 G196 A197 K294 A297	V125-L193 HydrophobicContact CB-CD1 4.22Å; V125-L193 HydrophobicContact CG1-CD1 3.85Å; V125-L193 HydrophobicContact CG2-CD1 4.46Å; H190-L193 PolarHBondContact O-N 2.87Å; H190-L193 VanDerWaalsContact O-N 3.07Å; D191-L193 VanDerWaalsContact C-N 3.3Å; D191-L193 PolarHBondContact O-N 3.37Å; L193-G196 PolarHBondContact O-N 3.39Å; L193-A197 WeakPolarHBondContact O-CB 3.01Å; L193-A197 PolarHBondContact O-N 3.29Å; L193-K294 HydrophobicContact CD2-CG 4.22Å; L193-A297 HydrophobicContact CB-CB 3.95Å
194	R	98.1	Very high	95.9	Very high	86 Å²	86	59.5 Å²	59.5	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-47.7	177.8	-171.3	-174.6	65.4	-146.6	-12.3	111.3	L189 H190 D191 A197 Q198	L189-R194 HydrophobicContact CB-CB 4.32Å; L189-R194 HydrophobicContact CD1-CB 4.47Å; H190-R194 PolarHBondContact O-N 3.01Å; H190-R194 VanDerWaalsContact O-N 3.1Å; D191-R194 PolarHBondContact O-N 3.42Å; D191-R194 IonicContact OD1-CZ 3.27Å; D191-R194 VanDerWaalsContact OD1-CZ 3.27Å; D191-R194 IonicContact OD1-NH1 3.39Å; D191-R194 PolarHBondContact OD1-NH1 3.45Å; D191-R194 IonicContact OD1-NH2 2.71Å; D191-R194 PolarHBondContact OD1-NH2 2.78Å; R194-A197 PolarHBondContact O-N 3.42Å; R194-Q198 WeakPolarHBondContact O-CB 3.45Å; R194-Q198 VanDerWaalsContact O-CG 3.32Å; R194-Q198 WeakPolarHBondContact O-CG 3.49Å; R194-Q198 PolarHBondContact O-N 3.02Å
195	E	97.9	Very high	95.2	Very high	108 Å²	108	61 Å²	61	51%	0.505	31%	0.312	S	S	.	.	H	α-helix	trans	-66.3	-42.1	179.5	-72.9	169	-169.6	0	0	111.3	D191 A197 Q198 H199	D191-E195 VanDerWaalsContact O-CB 3.28Å; D191-E195 WeakPolarHBondContact O-CB 3.45Å; D191-E195 VanDerWaalsContact O-CG 3.24Å; D191-E195 WeakPolarHBondContact O-CG 3.39Å; D191-E195 PolarHBondContact O-N 3.05Å; E195-A197 PolarHBondContact O-N 3.01Å; E195-Q198 PolarHBondContact O-N 3.41Å; E195-H199 VanDerWaalsContact O-CB 3.28Å; E195-H199 WeakPolarHBondContact O-CB 3.44Å; E195-H199 PolarHBondContact O-N 2.95Å
196	G	96.9	Very high	93.8	Very high	44 Å²	44	61.3 Å²	61.3	45%	0.454	32%	0.32	S	S	.	.	H	α-helix	trans	-58.7	-45.6	174.6	0	0	0	0	0	112.6	H192 L193 H199 L200	H192-G196 PolarHBondContact O-N 2.92Å; H192-G196 VanDerWaalsContact O-N 3.08Å; L193-G196 PolarHBondContact O-N 3.39Å; G196-H199 PolarHBondContact O-N 3.22Å; G196-L200 PolarHBondContact O-N 3.16Å
197	A	96.9	Very high	92.2	Very high	8 Å²	8	62.1 Å²	62.1	7%	0.066	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-46.3	175	0	0	0	0	0	112	L193 R194 E195 H199 L200 L201 A297 L298 Q301	L193-A197 WeakPolarHBondContact O-CB 3.01Å; L193-A197 PolarHBondContact O-N 3.29Å; R194-A197 PolarHBondContact O-N 3.42Å; E195-A197 PolarHBondContact O-N 3.01Å; A197-H199 VanDerWaalsContact C-N 3.33Å; A197-H199 PolarHBondContact O-N 3.26Å; A197-L200 PolarHBondContact O-N 3.44Å; A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 3.45Å; A197-A297 HydrophobicContact CB-CB 4.23Å; A197-L298 HydrophobicContact CB-CD1 4.41Å; A197-Q301 HydrophobicContact CB-CB 4.23Å; A197-Q301 HydrophobicContact CB-CG 3.93Å
198	Q	95.7	Very high	90.1	Very high	93 Å²	93	68.1 Å²	68.1	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-34.8	178.6	-75.6	177.4	-23.9	0	0	113	R194 E195 L201 S202 Q301	R194-Q198 WeakPolarHBondContact O-CB 3.45Å; R194-Q198 VanDerWaalsContact O-CG 3.32Å; R194-Q198 WeakPolarHBondContact O-CG 3.49Å; R194-Q198 PolarHBondContact O-N 3.02Å; E195-Q198 PolarHBondContact O-N 3.41Å; Q198-L201 PolarHBondContact O-N 3.26Å; Q198-S202 VanDerWaalsContact O-CB 3.23Å; Q198-S202 WeakPolarHBondContact O-CB 3.35Å; Q198-S202 PolarHBondContact O-N 3.48Å; Q198-S202 PolarHBondContact O-OG 3.33Å; Q198-Q301 VanDerWaalsContact CG-NE2 3.29Å; Q198-Q301 VanDerWaalsContact NE2-NE2 3.19Å
199	H	94.9	Very high	88.3	Confident	148 Å²	148	70.2 Å²	70.2	69%	0.685	37%	0.372	S	S	*	.	H	α-helix	trans	-62.2	-45.1	175	-178.8	-86.5	0	0	0	110.9	E195 G196 A197 S202 G203	E195-H199 VanDerWaalsContact O-CB 3.28Å; E195-H199 WeakPolarHBondContact O-CB 3.44Å; E195-H199 PolarHBondContact O-N 2.95Å; G196-H199 PolarHBondContact O-N 3.22Å; A197-H199 VanDerWaalsContact C-N 3.33Å; A197-H199 PolarHBondContact O-N 3.26Å; H199-S202 WeakPolarHBondContact CA-OG 3.37Å; H199-S202 PolarHBondContact O-OG 2.87Å; H199-G203 PolarHBondContact O-N 2.92Å
200	L	93	Very high	86.3	Confident	61 Å²	61	75.9 Å²	75.9	32%	0.319	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-52.3	174.9	-169.5	158.7	0	0	0	111.1	G196 A197 S202 G203 L204 A284 L298	G196-L200 PolarHBondContact O-N 3.16Å; A197-L200 PolarHBondContact O-N 3.44Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.48Å; L200-G203 PolarHBondContact O-N 3.11Å; L200-L204 HydrophobicContact CD2-CD1 3.83Å; L200-L204 HydrophobicContact CD2-CG 4.24Å; L200-L204 PolarHBondContact O-N 3.01Å; L200-L204 VanDerWaalsContact O-N 3.14Å; L200-A284 HydrophobicContact CD1-CB 4.06Å; L200-A284 HydrophobicContact CD2-CB 4.33Å; L200-L298 HydrophobicContact CD1-CD2 4.31Å; L200-L298 HydrophobicContact CD2-CD1 4.09Å
201	L	93.4	Very high	84.5	Confident	11 Å²	11	77.7 Å²	77.7	6%	0.058	42%	0.423	C	S	.	.	H	α-helix	trans	-63.2	-37.9	-178	-64.5	178.5	0	0	0	112.6	A197 Q198 L204 R205 F216 V261 L298 Q301	A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 3.45Å; Q198-L201 PolarHBondContact O-N 3.26Å; L201-L204 HydrophobicContact CD2-CD1 4.47Å; L201-L204 PolarHBondContact O-N 2.79Å; L201-R205 PolarHBondContact O-N 3.08Å; L201-F216 HydrophobicContact CB-CD2 4.29Å; L201-F216 HydrophobicContact CB-CE2 3.89Å; L201-F216 HydrophobicContact CB-CZ 4.16Å; L201-F216 HydrophobicContact CD1-CD2 4.4Å; L201-F216 HydrophobicContact CD2-CB 4.45Å; L201-F216 HydrophobicContact CD2-CD1 3.93Å; L201-F216 HydrophobicContact CD2-CD2 4.13Å; L201-F216 HydrophobicContact CD2-CE1 4.17Å; L201-F216 HydrophobicContact CD2-CE2 4.34Å; L201-F216 HydrophobicContact CD2-CG 3.92Å; L201-F216 HydrophobicContact CD2-CZ 4.37Å; L201-F216 WeakPolarHBondContact O-CZ 3.5Å; L201-V261 HydrophobicContact CD2-CG2 3.91Å; L201-L298 HydrophobicContact CD1-CD1 4.44Å; L201-L298 HydrophobicContact CD2-CD1 3.82Å; L201-L298 HydrophobicContact CG-CD1 3.95Å; L201-Q301 HydrophobicContact CD1-CB 3.84Å; L201-Q301 WeakPolarHBondContact CD1-O 3.46Å
202	S	91.1	Very high	83.2	Confident	50 Å²	50	84.6 Å²	84.6	35%	0.35	45%	0.445	S	S	.	.	H	α-helix	trans	-69.5	-35.6	175.4	59.2	0	0	0	0	112.4	Q198 H199 L200 L204 R205 L206	Q198-S202 VanDerWaalsContact O-CB 3.23Å; Q198-S202 WeakPolarHBondContact O-CB 3.35Å; Q198-S202 PolarHBondContact O-N 3.48Å; Q198-S202 PolarHBondContact O-OG 3.33Å; H199-S202 WeakPolarHBondContact CA-OG 3.37Å; H199-S202 PolarHBondContact O-OG 2.87Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.48Å; S202-L204 VanDerWaalsContact C-N 3.27Å; S202-L204 PolarHBondContact O-N 3.49Å; S202-R205 WeakPolarHBondContact O-CB 3.23Å; S202-R205 PolarHBondContact O-N 3.32Å; S202-R205 VanDerWaalsContact O-N 3.08Å; S202-L206 WeakPolarHBondContact O-CG 3.41Å; S202-L206 PolarHBondContact O-N 3.38Å
203	G	88.8	Confident	82.1	Confident	40 Å²	40	79.3 Å²	79.3	41%	0.412	42%	0.421	S	S	.	.	H	α-helix	trans	-57.7	-39.7	170.5	0	0	0	0	0	112.5	H199 L200 R205 L206 G207	H199-G203 PolarHBondContact O-N 2.92Å; L200-G203 PolarHBondContact O-N 3.11Å; G203-R205 VanDerWaalsContact C-N 3.31Å; G203-R205 PolarHBondContact O-N 2.95Å; G203-L206 PolarHBondContact O-N 2.95Å; G203-G207 PolarHBondContact O-N 3.33Å
204	L	86.4	Confident	81.3	Confident	24 Å²	24	83.4 Å²	83.4	13%	0.126	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-30.9	175.2	-62.2	177.5	0	0	0	112.9	L200 L201 S202 L206 F216 I259 V261 V282	L200-L204 HydrophobicContact CD2-CD1 3.83Å; L200-L204 HydrophobicContact CD2-CG 4.24Å; L200-L204 PolarHBondContact O-N 3.01Å; L200-L204 VanDerWaalsContact O-N 3.14Å; L201-L204 HydrophobicContact CD2-CD1 4.47Å; L201-L204 PolarHBondContact O-N 2.79Å; S202-L204 VanDerWaalsContact C-N 3.27Å; S202-L204 PolarHBondContact O-N 3.49Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 3.37Å; L204-F216 HydrophobicContact CB-CE1 3.97Å; L204-F216 HydrophobicContact CB-CZ 4.15Å; L204-F216 HydrophobicContact CD1-CE1 3.99Å; L204-I259 HydrophobicContact CD1-CG2 4.32Å; L204-V261 HydrophobicContact CD1-CG2 4.41Å; L204-V282 HydrophobicContact CD1-CB 4.36Å; L204-V282 HydrophobicContact CD1-CG1 4.29Å; L204-V282 HydrophobicContact CD1-CG2 3.99Å; L204-V282 HydrophobicContact CD2-CG1 4.19Å; L204-V282 HydrophobicContact CD2-CG2 3.84Å
205	R	81.8	Confident	81.1	Confident	128 Å²	128	80.2 Å²	80.2	48%	0.483	43%	0.429	S	S	.	.	H	α-helix	trans	-69.3	-27	174.8	-71.4	178.7	174.9	164	4.1	113.9	L201 S202 G203 P213 F216	L201-R205 PolarHBondContact O-N 3.08Å; S202-R205 WeakPolarHBondContact O-CB 3.23Å; S202-R205 PolarHBondContact O-N 3.32Å; S202-R205 VanDerWaalsContact O-N 3.08Å; G203-R205 VanDerWaalsContact C-N 3.31Å; G203-R205 PolarHBondContact O-N 2.95Å; R205-P213 HydrophobicContact CB-CG 4.42Å; R205-P213 HydrophobicContact CG-CG 3.9Å; R205-F216 HydrophobicContact CG-CE2 4.12Å; R205-F216 HydrophobicContact CG-CZ 3.87Å
206	L	69.8	Low	81	Confident	152 Å²	152	75.1 Å²	75.1	80%	0.796	41%	0.406	S	S	*	.	H	α-helix	trans	-105.1	-5.6	-174	-61.1	175.7	0	0	0	113	S202 G203 L204	S202-L206 WeakPolarHBondContact O-CG 3.41Å; S202-L206 PolarHBondContact O-N 3.38Å; G203-L206 PolarHBondContact O-N 2.95Å; L204-L206 VanDerWaalsContact C-N 3.3Å; L204-L206 PolarHBondContact O-N 3.37Å
207	G	63.8	Low	81.1	Confident	27 Å²	27	73 Å²	73	28%	0.278	38%	0.384	S	S	.	.	S	Bend	trans	-67.4	172.7	-176.8	0	0	0	0	0	113.8	G203 W209	G203-G207 PolarHBondContact O-N 3.33Å; G207-W209 PolarHBondContact O-N 3.48Å
208	P	55.3	Low	81.2	Confident	135 Å²	135	72.7 Å²	72.7	88%	0.877	38%	0.381	S	S	*	.	S	Bend	trans	-72.9	11.8	-176.9	33.8	-37.1	0	0	0	113.4
209	W	59.4	Low	81.4	Confident	100 Å²	100	68.2 Å²	68.2	38%	0.379	36%	0.36	S	S	.	.			trans	-61.7	137.1	178.4	-55.1	93.9	0	0	0	109.1	G207 I211 G279 V282	G207-W209 PolarHBondContact O-N 3.48Å; W209-I211 PolarHBondContact O-N 2.89Å; W209-G279 WeakPolarHBondContact CZ3-O 3.21Å; W209-V282 HydrophobicContact CZ2-CG2 4.24Å
210	S	55.9	Low	81.5	Confident	133 Å²	133	61.6 Å²	61.6	93%	0.93	33%	0.33	S	S	*	.	S	Bend	trans	-59.7	-10.6	176.6	-41.7	0	0	0	0	113
211	I	60.5	Low	81.8	Confident	82 Å²	82	58.7 Å²	58.7	42%	0.421	31%	0.314	S	S	.	.	S	Bend	trans	-129.4	130.6	-169.9	-58.7	174.3	0	0	0	108.3	W209 P213 D257	W209-I211 PolarHBondContact O-N 2.89Å; I211-P213 WeakPolarHBondContact O-CD 3.44Å; I211-D257 HydrophobicContact CG2-CB 3.36Å
212	R	71.1	Confident	82	Confident	206 Å²	206	59.6 Å²	59.6	78%	0.777	32%	0.317	S	S	*	.			trans	-82.8	113	167.4	-71.8	-171	-170.7	-159.2	2.4	108.1	H214	R212-H214 PolarHBondContact O-CD2 2.97Å; R212-H214 PolarHBondContact O-N 2.98Å
213	P	75.9	Confident	82.3	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.071	31%	0.305	C	S	.	.			trans	-66.9	124.9	-174.1	27.5	-34.7	0	0	0	111	R205 I211 F216 I259	R205-P213 HydrophobicContact CB-CG 4.42Å; R205-P213 HydrophobicContact CG-CG 3.9Å; I211-P213 WeakPolarHBondContact O-CD 3.44Å; P213-F216 HydrophobicContact CB-CE1 4.2Å; P213-F216 HydrophobicContact CB-CZ 4.35Å; P213-F216 HydrophobicContact CG-CE1 4.11Å; P213-F216 HydrophobicContact CG-CZ 3.96Å; P213-I259 HydrophobicContact CB-CB 4.3Å; P213-I259 HydrophobicContact CB-CD1 4.49Å; P213-I259 HydrophobicContact CB-CG1 3.41Å; P213-I259 VanDerWaalsContact CB-CG1 3.41Å; P213-I259 HydrophobicContact CG-CG1 4.18Å
214	H	80.2	Confident	82.6	Confident	105 Å²	105	58 Å²	58	49%	0.486	30%	0.3	S	S	.	.	S	Bend	trans	-88.3	-22.2	176.4	-77.1	-78.4	0	0	0	111.8	R212 K256 D257	R212-H214 PolarHBondContact O-CD2 2.97Å; R212-H214 PolarHBondContact O-N 2.98Å; H214-K256 PolarHBondContact NE2-NZ 3.49Å; H214-D257 IonicContact CD2-OD2 2.69Å; H214-D257 PolarHBondContact CD2-OD2 3.49Å; H214-D257 PolarHBondContact N-O 3.47Å
215	T	93.3	Very high	83	Confident	18 Å²	18	59.5 Å²	59.5	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	131.2	-170.3	-62.2	0	0	0	0	110.2	V217 H255 P258 I259 N303 H304	T215-V217 HydrophobicContact CG2-CG2 4.33Å; T215-H255 HydrophobicContact CG2-CB 4.18Å; T215-P258 CarbonylContact O-C 3.55Å; T215-P258 WeakPolarHBondContact O-CA 3.48Å; T215-I259 PolarHBondContact O-N 3.33Å; T215-N303 HydrophobicContact CG2-CB 4.1Å; T215-H304 WeakPolarHBondContact CG2-CD2 3.47Å
216	F	97.5	Very high	83.7	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.5	170.2	-66.9	-65.8	0	0	0	109.9	L201 L204 R205 P213 I259 V261 C302 N303 H304	L201-F216 HydrophobicContact CB-CD2 4.29Å; L201-F216 HydrophobicContact CB-CE2 3.89Å; L201-F216 HydrophobicContact CB-CZ 4.16Å; L201-F216 HydrophobicContact CD1-CD2 4.4Å; L201-F216 HydrophobicContact CD2-CB 4.45Å; L201-F216 HydrophobicContact CD2-CD1 3.93Å; L201-F216 HydrophobicContact CD2-CD2 4.13Å; L201-F216 HydrophobicContact CD2-CE1 4.17Å; L201-F216 HydrophobicContact CD2-CE2 4.34Å; L201-F216 HydrophobicContact CD2-CG 3.92Å; L201-F216 HydrophobicContact CD2-CZ 4.37Å; L201-F216 WeakPolarHBondContact O-CZ 3.5Å; L204-F216 HydrophobicContact CB-CE1 3.97Å; L204-F216 HydrophobicContact CB-CZ 4.15Å; L204-F216 HydrophobicContact CD1-CE1 3.99Å; R205-F216 HydrophobicContact CG-CE2 4.12Å; R205-F216 HydrophobicContact CG-CZ 3.87Å; P213-F216 HydrophobicContact CB-CE1 4.2Å; P213-F216 HydrophobicContact CB-CZ 4.35Å; P213-F216 HydrophobicContact CG-CE1 4.11Å; P213-F216 HydrophobicContact CG-CZ 3.96Å; F216-I259 WeakPolarHBondContact CA-O 3.25Å; F216-I259 HydrophobicContact CD1-CB 3.9Å; F216-I259 HydrophobicContact CD1-CG2 4.18Å; F216-I259 HydrophobicContact CE1-CB 4.05Å; F216-I259 HydrophobicContact CE1-CG2 4.23Å; F216-V261 HydrophobicContact CB-CG2 4.5Å; F216-V261 HydrophobicContact CD1-CG2 3.97Å; F216-C302 HydrophobicContact CB-CB 4.08Å; F216-N303 PolarHBondContact N-OD1 3.34Å; F216-N303 WeakPolarHBondContact O-CB 3.41Å; F216-N303 PolarHBondContact O-N 3.2Å; F216-H304 PolarHBondContact O-N 3.29Å
217	V	98.7	Very high	85	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112	174.9	-173.8	0	0	0	0	107.5	T215 V219 F251 P258 I259 F260 V261 H304 I306	T215-V217 HydrophobicContact CG2-CG2 4.33Å; V217-V219 PolarHBondContact O-N 3.18Å; V217-F251 HydrophobicContact CG1-CD1 4.21Å; V217-F251 HydrophobicContact CG1-CD2 3.92Å; V217-F251 HydrophobicContact CG1-CE1 4.23Å; V217-F251 HydrophobicContact CG1-CE2 3.91Å; V217-F251 HydrophobicContact CG1-CG 4.09Å; V217-F251 HydrophobicContact CG1-CZ 4.08Å; V217-F251 HydrophobicContact CG2-CB 4.31Å; V217-F251 HydrophobicContact CG2-CD1 3.74Å; V217-F251 HydrophobicContact CG2-CE1 4.27Å; V217-F251 HydrophobicContact CG2-CG 3.98Å; V217-P258 HydrophobicContact CG2-CB 4.11Å; V217-I259 PolarHBondContact N-O 2.94Å; V217-F260 HydrophobicContact CB-CD1 3.72Å; V217-F260 HydrophobicContact CB-CE1 3.91Å; V217-F260 HydrophobicContact CG1-CD1 3.96Å; V217-F260 HydrophobicContact CG1-CE1 4.01Å; V217-F260 HydrophobicContact CG2-CD1 4.29Å; V217-F260 HydrophobicContact CG2-CE1 4.02Å; V217-F260 CarbonylContact O-C 3.45Å; V217-F260 WeakPolarHBondContact O-CA 3.13Å; V217-V261 PolarHBondContact O-N 2.98Å; V217-H304 CarbonylContact C-O 3.56Å; V217-H304 WeakPolarHBondContact CA-O 3.45Å; V217-H304 HydrophobicContact CG1-CB 4.23Å; V217-H304 HydrophobicContact CG2-CB 4.23Å; V217-I306 HydrophobicContact CG1-CD1 4.09Å; V217-I306 HydrophobicContact CG1-CG1 3.91Å
218	G	98.8	Very high	86.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.6	174.4	0	0	0	0	0	109.6	H304 T305 I306	G218-H304 PolarHBondContact N-O 2.8Å; G218-T305 CarbonylContact O-C 3.32Å; G218-T305 WeakPolarHBondContact O-CA 3.43Å; G218-I306 PolarHBondContact O-N 2.95Å
219	V	98.9	Very high	88.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	105.7	-179.9	-174.5	0	0	0	0	108.8	V217 V221 L244 M248 F260 V261 V262 T263 I306	V217-V219 PolarHBondContact O-N 3.18Å; V219-V221 HydrophobicContact CG1-CG2 4.05Å; V219-L244 HydrophobicContact CG1-CD2 4.24Å; V219-M248 HydrophobicContact CG1-CE 4.15Å; V219-M248 HydrophobicContact CG2-CE 4.18Å; V219-F260 HydrophobicContact CG2-CB 3.89Å; V219-F260 HydrophobicContact CG2-CD1 3.86Å; V219-F260 HydrophobicContact CG2-CG 4.35Å; V219-V261 PolarHBondContact N-O 2.72Å; V219-V262 HydrophobicContact CB-CG2 4.14Å; V219-V262 WeakPolarHBondContact O-CA 3.46Å; V219-T263 PolarHBondContact O-N 3.13Å; V219-I306 WeakPolarHBondContact CA-O 2.97Å; V219-I306 HydrophobicContact CB-CB 4.46Å; V219-I306 HydrophobicContact CG1-CB 4.17Å; V219-I306 HydrophobicContact CG1-CG2 4.22Å; V219-I306 HydrophobicContact CG2-CB 4.2Å; V219-I306 HydrophobicContact CG2-CD1 4Å; V219-I306 HydrophobicContact CG2-CG1 4.47Å
220	H	98.6	Very high	90.2	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.8	176.7	177.1	-105.3	0	0	0	111.1	L299 I306 T308 F312 G313	H220-L299 HydrophobicContact CB-CD1 3.84Å; H220-L299 HydrophobicContact CB-CD2 4.25Å; H220-I306 PolarHBondContact N-O 3.41Å; H220-T308 PolarHBondContact O-N 2.93Å; H220-T308 VanDerWaalsContact O-N 3.1Å; H220-F312 AromaticContact CD2-CD1 3.46Å; H220-F312 VanDerWaalsContact CD2-CD1 3.46Å; H220-F312 WeakPolarHBondContact CD2-CD1 3.21Å; H220-F312 AromaticContact CD2-CE1 3.77Å; H220-F312 AromaticContact CE1-CD1 3.73Å; H220-F312 AromaticContact NE2-CD1 3.25Å; H220-F312 WeakPolarHBondContact NE2-CD1 3.31Å; H220-F312 AromaticContact NE2-CE1 3.89Å; H220-G313 WeakPolarHBondContact ND1-CA 3.34Å
221	V	98.6	Very high	92.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.6	177.8	-170	0	0	0	0	109.9	V219 R223 L244 V262 T263 S264 W269 T308	V219-V221 HydrophobicContact CG1-CG2 4.05Å; V221-R223 HydrophobicContact CG1-CG 4.12Å; V221-L244 HydrophobicContact CG1-CD1 4.43Å; V221-L244 HydrophobicContact CG2-CD1 4.14Å; V221-L244 HydrophobicContact CG2-CD2 3.96Å; V221-V262 HydrophobicContact CG2-CG1 4.41Å; V221-T263 PolarHBondContact N-O 3.23Å; V221-S264 WeakPolarHBondContact O-CA 3.28Å; V221-S264 WeakPolarHBondContact O-CB 3.35Å; V221-S264 PolarHBondContact O-OG 3.13Å; V221-W269 HydrophobicContact CG1-CZ3 4.17Å; V221-T308 HydrophobicContact CG1-CG2 4.25Å
222	R	97.8	Very high	93.7	Very high	29 Å²	29	46.2 Å²	46.2	11%	0.109	23%	0.227	C	C	.	.			trans	-81.5	119.7	172.9	-175.1	61.9	177.7	179.7	3.5	111.7	D225 Y226 N265 E289 T308 I309	R222-D225 IonicContact CZ-OD1 3.42Å; R222-D225 IonicContact NH2-OD1 2.74Å; R222-D225 PolarHBondContact NH2-OD1 3.08Å; R222-D225 IonicContact NH2-OD2 2.68Å; R222-Y226 HydrophobicContact CG-CD1 4.25Å; R222-Y226 HydrophobicContact CG-CD2 4.13Å; R222-Y226 HydrophobicContact CG-CE2 4.48Å; R222-Y226 HydrophobicContact CG-CG 4.01Å; R222-N265 PolarHBondContact NH1-ND2 2.89Å; R222-E289 IonicContact CZ-OE1 3.13Å; R222-E289 IonicContact NH1-OE1 3.42Å; R222-E289 PolarHBondContact NH1-OE1 2.82Å; R222-E289 IonicContact NH2-OE1 2.65Å; R222-E289 PolarHBondContact NH2-OE1 2.83Å; R222-T308 WeakPolarHBondContact CB-OG1 3.48Å; R222-T308 PolarHBondContact N-OG1 3.49Å; R222-I309 HydrophobicContact CB-CG2 3.93Å; R222-I309 WeakPolarHBondContact CB-O 3.22Å; R222-I309 HydrophobicContact CG-CG2 4Å; R222-I309 WeakPolarHBondContact CG-O 3.4Å
223	R	96.4	Very high	94.9	Very high	26 Å²	26	44.7 Å²	44.7	10%	0.098	22%	0.221	C	C	.	.			trans	-127.5	-116.6	170.7	-55.1	-171.2	70.8	80.4	-1.8	108.8	V221 D225 Y226 L227 N265 W269	V221-R223 HydrophobicContact CG1-CG 4.12Å; R223-D225 PolarHBondContact O-N 3.49Å; R223-Y226 WeakPolarHBondContact O-CB 3.25Å; R223-Y226 PolarHBondContact O-N 3.22Å; R223-Y226 VanDerWaalsContact O-N 3.14Å; R223-L227 HydrophobicContact CB-CD1 4.24Å; R223-L227 HydrophobicContact CB-CD2 4.42Å; R223-L227 HydrophobicContact CB-CG 4.22Å; R223-N265 WeakPolarHBondContact CA-OD1 3.19Å; R223-N265 PolarHBondContact N-OD1 3.22Å; R223-W269 VanDerWaalsContact NE-CG 3.31Å; R223-W269 VanDerWaalsContact NH1-CE3 3.25Å; R223-W269 VanDerWaalsContact NH1-CZ2 3.29Å; R223-W269 VanDerWaalsContact NH2-CD1 3.28Å
224	G	95.3	Very high	95.8	Very high	30 Å²	30	46 Å²	46	31%	0.309	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-133.3	179.5	0	0	0	0	0	112	Y226 L227 N265	G224-Y226 PolarHBondContact O-N 2.97Å; G224-L227 WeakPolarHBondContact O-CB 3.44Å; G224-L227 PolarHBondContact O-N 3.35Å; G224-N265 PolarHBondContact N-OD1 2.79Å
225	D	94.9	Very high	96.6	Very high	57 Å²	57	45.3 Å²	45.3	31%	0.305	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.8	178.3	56.4	-59.9	0	0	0	114.1	R90 R222 R223 L227 E228 V229	R90-D225 IonicContact CZ-OD1 3.71Å; R90-D225 IonicContact NH1-OD1 2.71Å; R90-D225 PolarHBondContact NH1-OD1 2.99Å; R90-D225 IonicContact NH2-OD1 3.06Å; R222-D225 IonicContact CZ-OD1 3.42Å; R222-D225 IonicContact NH2-OD1 2.74Å; R222-D225 PolarHBondContact NH2-OD1 3.08Å; R222-D225 IonicContact NH2-OD2 2.68Å; R223-D225 PolarHBondContact O-N 3.49Å; D225-L227 PolarHBondContact O-N 2.89Å; D225-E228 PolarHBondContact O-N 3.1Å; D225-E228 VanDerWaalsContact O-N 3.14Å; D225-V229 WeakPolarHBondContact O-CG2 3.46Å; D225-V229 PolarHBondContact O-N 2.92Å
226	Y	96.3	Very high	96.8	Very high	51 Å²	51	44.5 Å²	44.5	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-22	178.4	-82.8	-122.6	0	0	0	112.8	R222 R223 G224 E228 M230 I309	R222-Y226 HydrophobicContact CG-CD1 4.25Å; R222-Y226 HydrophobicContact CG-CD2 4.13Å; R222-Y226 HydrophobicContact CG-CE2 4.48Å; R222-Y226 HydrophobicContact CG-CG 4.01Å; R223-Y226 WeakPolarHBondContact O-CB 3.25Å; R223-Y226 PolarHBondContact O-N 3.22Å; R223-Y226 VanDerWaalsContact O-N 3.14Å; G224-Y226 PolarHBondContact O-N 2.97Å; Y226-E228 PolarHBondContact O-N 3.36Å; Y226-M230 HydrophobicContact CD1-CG 3.67Å; Y226-M230 HydrophobicContact CD1-SD 3.75Å; Y226-M230 HydrophobicContact CE1-SD 4.08Å; Y226-M230 HydrophobicContact CG-CG 4.21Å; Y226-M230 WeakPolarHBondContact O-CB 3.28Å; Y226-M230 VanDerWaalsContact O-CG 3.25Å; Y226-M230 WeakPolarHBondContact O-CG 3.26Å; Y226-M230 PolarHBondContact O-N 2.92Å; Y226-I309 HydrophobicContact CD1-CB 4.47Å; Y226-I309 HydrophobicContact CD1-CD1 3.97Å; Y226-I309 HydrophobicContact CD1-CG1 4.24Å; Y226-I309 HydrophobicContact CD1-CG2 3.48Å; Y226-I309 VanDerWaalsContact CD1-CG2 3.48Å; Y226-I309 HydrophobicContact CE1-CB 4.39Å; Y226-I309 HydrophobicContact CE1-CD1 3.78Å; Y226-I309 HydrophobicContact CE1-CG1 3.81Å; Y226-I309 HydrophobicContact CE1-CG2 3.8Å; Y226-I309 HydrophobicContact CG-CG2 4.42Å
227	L	97	Very high	96.8	Very high	82 Å²	82	45.1 Å²	45.1	43%	0.429	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-27.4	174.1	-64.4	177.2	0	0	0	112.3	R223 G224 D225 P231 V238	R223-L227 HydrophobicContact CB-CD1 4.24Å; R223-L227 HydrophobicContact CB-CD2 4.42Å; R223-L227 HydrophobicContact CB-CG 4.22Å; G224-L227 WeakPolarHBondContact O-CB 3.44Å; G224-L227 PolarHBondContact O-N 3.35Å; D225-L227 PolarHBondContact O-N 2.89Å; L227-P231 WeakPolarHBondContact O-CD 3.43Å; L227-P231 VanDerWaalsContact O-CG 3.27Å; L227-P231 WeakPolarHBondContact O-CG 3.47Å; L227-V238 HydrophobicContact CD2-CG1 4.39Å; L227-V238 HydrophobicContact CD2-CG2 3.68Å
228	E	96.3	Very high	96.7	Very high	137 Å²	137	46.3 Å²	46.3	64%	0.64	23%	0.227	S	C	*	.	H	α-helix	trans	-94.7	-47.6	175.8	-174.5	-178.6	173.2	0	0	111.1	D225 Y226 N232	D225-E228 PolarHBondContact O-N 3.1Å; D225-E228 VanDerWaalsContact O-N 3.14Å; Y226-E228 PolarHBondContact O-N 3.36Å; E228-N232 VanDerWaalsContact O-CB 3.28Å; E228-N232 WeakPolarHBondContact O-CB 3.32Å; E228-N232 PolarHBondContact O-N 3.3Å; E228-N232 PolarHBondContact O-ND2 3.36Å
229	V	95.5	Very high	96.7	Very high	44 Å²	44	46.4 Å²	46.4	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-68.4	-40.6	-171.6	172.2	0	0	0	0	112.3	D225 R233 W234	D225-V229 WeakPolarHBondContact O-CG2 3.46Å; D225-V229 PolarHBondContact O-N 2.92Å; V229-R233 HydrophobicContact CG1-CB 4.4Å; V229-R233 VanDerWaalsContact O-CB 3.27Å; V229-R233 WeakPolarHBondContact O-CB 3.44Å; V229-R233 PolarHBondContact O-N 3.48Å; V229-W234 VanDerWaalsContact CG1-CD1 3.5Å; V229-W234 PolarHBondContact O-N 2.79Å
230	M	96.8	Very high	96.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-55.8	-176.1	-67.8	-57	-61.8	0	0	113	Y226 W234 K235 G236 V238 I309 F330 T331	Y226-M230 HydrophobicContact CD1-CG 3.67Å; Y226-M230 HydrophobicContact CD1-SD 3.75Å; Y226-M230 HydrophobicContact CE1-SD 4.08Å; Y226-M230 HydrophobicContact CG-CG 4.21Å; Y226-M230 WeakPolarHBondContact O-CB 3.28Å; Y226-M230 VanDerWaalsContact O-CG 3.25Å; Y226-M230 WeakPolarHBondContact O-CG 3.26Å; Y226-M230 PolarHBondContact O-N 2.92Å; M230-W234 HydrophobicContact CE-CB 4.46Å; M230-W234 CarbonylContact O-C 3.12Å; M230-W234 WeakPolarHBondContact O-CA 3.24Å; M230-W234 PolarHBondContact O-N 2.86Å; M230-W234 VanDerWaalsContact O-N 3.16Å; M230-W234 HydrophobicContact SD-CB 4.47Å; M230-K235 PolarHBondContact O-N 3.41Å; M230-K235 VanDerWaalsContact O-N 3.09Å; M230-G236 CarbonylContact C-O 3.58Å; M230-G236 WeakPolarHBondContact CB-O 3.34Å; M230-G236 PolarHBondContact O-N 3.4Å; M230-V238 HydrophobicContact CB-CG1 4.39Å; M230-V238 HydrophobicContact CG-CG1 3.99Å; M230-I309 HydrophobicContact CE-CD1 3.37Å; M230-I309 HydrophobicContact CG-CD1 4.4Å; M230-I309 HydrophobicContact SD-CD1 3.49Å; M230-I309 WeakPolarHBondContact SD-CD1 3.37Å; M230-F330 HydrophobicContact CE-CD2 3.58Å; M230-F330 HydrophobicContact CE-CE2 4.01Å; M230-T331 HydrophobicContact CE-CG2 4.25Å
231	P	95.9	Very high	96.6	Very high	37 Å²	37	55.4 Å²	55.4	24%	0.24	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-45.1	-179.5	24.8	-33.5	0	0	0	112	L227 G236 L361	L227-P231 WeakPolarHBondContact O-CD 3.43Å; L227-P231 VanDerWaalsContact O-CG 3.27Å; L227-P231 WeakPolarHBondContact O-CG 3.47Å; P231-G236 WeakPolarHBondContact CA-O 3.36Å; P231-G236 VanDerWaalsContact N-O 3.13Å; P231-L361 HydrophobicContact CB-CD2 3.96Å
232	N	94.7	Very high	96.6	Very high	125 Å²	125	58.9 Å²	58.9	67%	0.668	29%	0.285	S	S	*	.	H	α-helix	trans	-81.1	-29.7	-167.5	-61.4	-35.3	0	0	0	113.9	E228	E228-N232 VanDerWaalsContact O-CB 3.28Å; E228-N232 WeakPolarHBondContact O-CB 3.32Å; E228-N232 PolarHBondContact O-N 3.3Å; E228-N232 PolarHBondContact O-ND2 3.36Å
233	R	94.8	Very high	96.6	Very high	173 Å²	173	57.5 Å²	57.5	65%	0.653	28%	0.28	S	S	*	.	H	α-helix	trans	-108.4	-40.1	-177.7	-174.9	178.8	175.8	172.1	-0.5	112.6	V229	V229-R233 HydrophobicContact CG1-CB 4.4Å; V229-R233 VanDerWaalsContact O-CB 3.27Å; V229-R233 WeakPolarHBondContact O-CB 3.44Å; V229-R233 PolarHBondContact O-N 3.48Å
234	W	95.8	Very high	96.7	Very high	39 Å²	39	56.4 Å²	56.4	15%	0.148	28%	0.276	C	S	.	.	H	α-helix	trans	-107.7	5.6	-169.2	-59.1	131.9	0	0	0	114.4	V229 M230 G236 S335 F337 I340	V229-W234 VanDerWaalsContact CG1-CD1 3.5Å; V229-W234 PolarHBondContact O-N 2.79Å; M230-W234 HydrophobicContact CE-CB 4.46Å; M230-W234 CarbonylContact O-C 3.12Å; M230-W234 WeakPolarHBondContact O-CA 3.24Å; M230-W234 PolarHBondContact O-N 2.86Å; M230-W234 VanDerWaalsContact O-N 3.16Å; M230-W234 HydrophobicContact SD-CB 4.47Å; W234-G236 PolarHBondContact O-N 3.44Å; W234-G236 VanDerWaalsContact O-N 3.15Å; W234-S335 WeakPolarHBondContact O-CB 3.44Å; W234-S335 PolarHBondContact O-OG 3.09Å; W234-F337 HydrophobicContact CB-CB 4.19Å; W234-F337 HydrophobicContact CD2-CB 4.15Å; W234-F337 AromaticContact CD2-CD2 3.77Å; W234-F337 HydrophobicContact CD2-CD2 3.77Å; W234-F337 HydrophobicContact CD2-CG 4.37Å; W234-F337 HydrophobicContact CE3-CB 3.79Å; W234-F337 HydrophobicContact CE3-CD2 4.01Å; W234-F337 HydrophobicContact CE3-CG 4.4Å; W234-F337 HydrophobicContact CG-CB 4.35Å; W234-F337 HydrophobicContact CG-CD2 4.01Å; W234-F337 HydrophobicContact CG-CG 4.43Å; W234-F337 HydrophobicContact CZ3-CB 4.49Å; W234-F337 HydrophobicContact CZ3-CD2 4.47Å; W234-I340 HydrophobicContact CH2-CD1 3.79Å; W234-I340 HydrophobicContact CZ2-CD1 4.33Å; W234-I340 HydrophobicContact CZ3-CD1 4.25Å
235	K	96.6	Very high	96.9	Very high	91 Å²	91	57.5 Å²	57.5	40%	0.396	27%	0.273	S	S	.	.	S	Bend	trans	46.3	46.1	-175.3	-58.1	-172.3	-178.6	-169.4	0	110.8	M230 T331 L332 D334 L361	M230-K235 PolarHBondContact O-N 3.41Å; M230-K235 VanDerWaalsContact O-N 3.09Å; K235-T331 WeakPolarHBondContact O-CA 3.28Å; K235-L332 HydrophobicContact CB-CB 4.22Å; K235-L332 HydrophobicContact CB-CD1 4.16Å; K235-L332 HydrophobicContact CB-CG 4.33Å; K235-L332 HydrophobicContact CD-CD1 4.45Å; K235-L332 PolarHBondContact O-N 3.07Å; K235-D334 IonicContact NZ-OD1 3.65Å; K235-D334 IonicContact NZ-OD2 2.64Å; K235-D334 PolarHBondContact NZ-OD2 2.81Å; K235-L361 VanDerWaalsContact C-CD1 3.41Å; K235-L361 VanDerWaalsContact O-CD1 3.27Å; K235-L361 WeakPolarHBondContact O-CD1 3.28Å
236	G	97.1	Very high	97.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-136.5	172.1	-171.3	0	0	0	0	0	113.2	M230 P231 W234 F330	M230-G236 CarbonylContact C-O 3.58Å; M230-G236 WeakPolarHBondContact CB-O 3.34Å; M230-G236 PolarHBondContact O-N 3.4Å; P231-G236 WeakPolarHBondContact CA-O 3.36Å; P231-G236 VanDerWaalsContact N-O 3.13Å; W234-G236 PolarHBondContact O-N 3.44Å; W234-G236 VanDerWaalsContact O-N 3.15Å; G236-F330 CarbonylContact C-O 3.56Å; G236-F330 WeakPolarHBondContact CA-O 3.37Å
237	V	97.8	Very high	97.2	Very high	16 Å²	16	56.8 Å²	56.8	10%	0.097	27%	0.27	C	S	.	.			trans	-120.8	164.6	-176.6	-59.6	0	0	0	0	110.8	F330 A356 L358 L361	V237-F330 HydrophobicContact CG2-CB 4.23Å; V237-F330 PolarHBondContact N-O 2.89Å; V237-A356 HydrophobicContact CG2-CB 3.51Å; V237-L358 HydrophobicContact CG1-CD2 4.14Å; V237-L358 HydrophobicContact CG2-CD2 3.77Å; V237-L361 HydrophobicContact CG1-CD1 3.7Å; V237-L361 HydrophobicContact CG1-CD2 4.37Å; V237-L361 HydrophobicContact CG1-CG 3.74Å
238	V	97.8	Very high	97.3	Very high	25 Å²	25	53 Å²	53	15%	0.152	25%	0.25	C	C	.	.			trans	-100.4	163.7	167	-62.1	0	0	0	0	109.8	L227 M230 D240	L227-V238 HydrophobicContact CD2-CG1 4.39Å; L227-V238 HydrophobicContact CD2-CG2 3.68Å; M230-V238 HydrophobicContact CB-CG1 4.39Å; M230-V238 HydrophobicContact CG-CG1 3.99Å; V238-D240 PolarHBondContact O-N 3.12Å
239	G	97.3	Very high	97.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	24%	0.235	C	C	.	.			trans	-59.5	128	176.9	0	0	0	0	0	111.4
240	D	97.8	Very high	97.5	Very high	42 Å²	42	49.4 Å²	49.4	23%	0.225	23%	0.23	C	C	.	.			trans	-102.2	-178.8	-177.3	83.7	-42.3	0	0	0	111.4	V238 V242 Y243 L244	V238-D240 PolarHBondContact O-N 3.12Å; D240-V242 VanDerWaalsContact C-N 3.3Å; D240-V242 PolarHBondContact O-N 3.42Å; D240-V242 PolarHBondContact OD1-N 2.89Å; D240-V242 WeakPolarHBondContact OD2-CB 3.39Å; D240-V242 WeakPolarHBondContact OD2-CG2 3.42Å; D240-V242 PolarHBondContact OD2-N 2.85Å; D240-V242 VanDerWaalsContact OD2-N 3.14Å; D240-Y243 VanDerWaalsContact OD1-CB 3.25Å; D240-Y243 WeakPolarHBondContact OD1-CB 3.43Å; D240-Y243 PolarHBondContact OD1-N 3.49Å; D240-L244 WeakPolarHBondContact O-CG 3.37Å; D240-L244 PolarHBondContact O-N 2.84Å; D240-L244 VanDerWaalsContact O-N 3.11Å
241	R	98	Very high	97.6	Very high	157 Å²	157	49.3 Å²	49.3	59%	0.592	23%	0.23	S	C	*	.	H	α-helix	trans	-65.2	-33.6	179.9	71.5	-177.3	-179.5	-157.7	-1.1	112.6	L244 Q245 N273	R241-L244 PolarHBondContact O-N 3.19Å; R241-Q245 WeakPolarHBondContact O-CB 3.48Å; R241-Q245 PolarHBondContact O-N 2.95Å; R241-N273 HydrophobicContact CB-CB 4.1Å; R241-N273 WeakPolarHBondContact CB-O 3.45Å
242	V	98.4	Very high	97.7	Very high	72 Å²	72	49.7 Å²	49.7	44%	0.436	23%	0.227	S	C	.	.	H	α-helix	trans	-69.6	-45.1	-178.3	-179.5	0	0	0	0	109.8	D240 L244 Q245 Q246	D240-V242 VanDerWaalsContact C-N 3.3Å; D240-V242 PolarHBondContact O-N 3.42Å; D240-V242 PolarHBondContact OD1-N 2.89Å; D240-V242 WeakPolarHBondContact OD2-CB 3.39Å; D240-V242 WeakPolarHBondContact OD2-CG2 3.42Å; D240-V242 PolarHBondContact OD2-N 2.85Å; D240-V242 VanDerWaalsContact OD2-N 3.14Å; V242-L244 PolarHBondContact O-N 3.41Å; V242-Q245 PolarHBondContact O-N 3.26Å; V242-Q246 HydrophobicContact CG1-CG 4.48Å; V242-Q246 WeakPolarHBondContact O-CB 3.44Å; V242-Q246 VanDerWaalsContact O-CG 3.29Å; V242-Q246 WeakPolarHBondContact O-CG 3.47Å; V242-Q246 PolarHBondContact O-N 3.3Å
243	Y	98.7	Very high	97.8	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-55.9	-50.3	171.7	166.5	-100.5	0	0	0	111.8	D240 Q245 Q246 A247 I306 M307 T308 V325 Y326 L327 I354	D240-Y243 VanDerWaalsContact OD1-CB 3.25Å; D240-Y243 WeakPolarHBondContact OD1-CB 3.43Å; D240-Y243 PolarHBondContact OD1-N 3.49Å; Y243-Q245 VanDerWaalsContact C-N 3.33Å; Y243-Q245 PolarHBondContact O-N 3.09Å; Y243-Q246 PolarHBondContact O-N 3.03Å; Y243-A247 WeakPolarHBondContact O-CB 3.32Å; Y243-A247 PolarHBondContact O-N 2.95Å; Y243-I306 HydrophobicContact CE1-CG2 4.25Å; Y243-M307 PolarHBondContact OH-O 3.39Å; Y243-T308 HydrophobicContact CD1-CG2 4.26Å; Y243-T308 HydrophobicContact CE1-CG2 3.84Å; Y243-V325 HydrophobicContact CE2-CG1 4.47Å; Y243-Y326 WeakPolarHBondContact OH-CA 3.37Å; Y243-L327 HydrophobicContact CD1-CD1 4.01Å; Y243-L327 HydrophobicContact CD2-CB 4.42Å; Y243-L327 HydrophobicContact CD2-CD1 3.38Å; Y243-L327 HydrophobicContact CE1-CB 4.3Å; Y243-L327 HydrophobicContact CE1-CD1 4.38Å; Y243-L327 HydrophobicContact CE2-CB 3.95Å; Y243-L327 HydrophobicContact CE2-CD1 3.8Å; Y243-L327 HydrophobicContact CG-CD1 3.5Å; Y243-L327 PolarHBondContact OH-N 3.06Å; Y243-L327 VanDerWaalsContact OH-N 3.08Å; Y243-I354 HydrophobicContact CD2-CB 3.86Å; Y243-I354 HydrophobicContact CD2-CG2 3.85Å; Y243-I354 HydrophobicContact CE2-CB 3.8Å; Y243-I354 HydrophobicContact CE2-CG2 4.32Å
244	L	98.8	Very high	97.9	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-42.4	-178.1	-69.6	173.5	0	0	0	111.6	V219 V221 D240 R241 V242 A247 M248 W269 I274 T308	V219-L244 HydrophobicContact CG1-CD2 4.24Å; V221-L244 HydrophobicContact CG1-CD1 4.43Å; V221-L244 HydrophobicContact CG2-CD1 4.14Å; V221-L244 HydrophobicContact CG2-CD2 3.96Å; D240-L244 WeakPolarHBondContact O-CG 3.37Å; D240-L244 PolarHBondContact O-N 2.84Å; D240-L244 VanDerWaalsContact O-N 3.11Å; R241-L244 PolarHBondContact O-N 3.19Å; V242-L244 PolarHBondContact O-N 3.41Å; L244-A247 PolarHBondContact O-N 3.38Å; L244-M248 WeakPolarHBondContact O-CB 3.36Å; L244-M248 VanDerWaalsContact O-CG 3.27Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 3Å; L244-W269 HydrophobicContact CD1-CH2 4.05Å; L244-W269 HydrophobicContact CD1-CZ3 3.7Å; L244-I274 HydrophobicContact CD1-CD1 4.1Å; L244-I274 HydrophobicContact CD1-CG1 3.94Å; L244-T308 HydrophobicContact CD2-CG2 4.31Å
245	Q	98.7	Very high	97.9	Very high	53 Å²	53	45.9 Å²	45.9	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-50.7	175.1	-175.4	63.7	45	0	0	111.4	R241 V242 Y243 A247 M248 D249	R241-Q245 WeakPolarHBondContact O-CB 3.48Å; R241-Q245 PolarHBondContact O-N 2.95Å; V242-Q245 PolarHBondContact O-N 3.26Å; Y243-Q245 VanDerWaalsContact C-N 3.33Å; Y243-Q245 PolarHBondContact O-N 3.09Å; Q245-A247 VanDerWaalsContact C-N 3.31Å; Q245-A247 PolarHBondContact O-N 3.22Å; Q245-M248 PolarHBondContact O-N 3.47Å; Q245-D249 VanDerWaalsContact NE2-CG 3.26Å; Q245-D249 PolarHBondContact NE2-OD1 3.27Å; Q245-D249 PolarHBondContact NE2-OD2 3.08Å; Q245-D249 WeakPolarHBondContact O-CB 3.37Å; Q245-D249 PolarHBondContact O-N 3.23Å
246	Q	98.8	Very high	97.6	Very high	93 Å²	93	47.9 Å²	47.9	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-40.7	179.2	-72	175.2	-4.6	0	0	112.3	V242 Y243 W250 I354	V242-Q246 HydrophobicContact CG1-CG 4.48Å; V242-Q246 WeakPolarHBondContact O-CB 3.44Å; V242-Q246 VanDerWaalsContact O-CG 3.29Å; V242-Q246 WeakPolarHBondContact O-CG 3.47Å; V242-Q246 PolarHBondContact O-N 3.3Å; Y243-Q246 PolarHBondContact O-N 3.03Å; Q246-W250 WeakPolarHBondContact O-CB 3.37Å; Q246-W250 PolarHBondContact O-N 3.27Å; Q246-I354 HydrophobicContact CB-CD1 4.07Å; Q246-I354 HydrophobicContact CB-CG2 4.46Å
247	A	98.8	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-44.9	177.4	0	0	0	0	0	111.5	Y243 L244 Q245 W250 F251 I306 V325 I354	Y243-A247 WeakPolarHBondContact O-CB 3.32Å; Y243-A247 PolarHBondContact O-N 2.95Å; L244-A247 PolarHBondContact O-N 3.38Å; Q245-A247 VanDerWaalsContact C-N 3.31Å; Q245-A247 PolarHBondContact O-N 3.22Å; A247-W250 WeakPolarHBondContact O-CB 3.39Å; A247-W250 PolarHBondContact O-N 3.39Å; A247-F251 WeakPolarHBondContact O-CD2 3.41Å; A247-F251 PolarHBondContact O-N 3.14Å; A247-I306 HydrophobicContact CB-CD1 3.85Å; A247-I306 HydrophobicContact CB-CG1 4.08Å; A247-I306 HydrophobicContact CB-CG2 3.72Å; A247-V325 HydrophobicContact CB-CB 4.39Å; A247-V325 HydrophobicContact CB-CG1 3.72Å; A247-I354 HydrophobicContact CB-CD1 4.13Å
248	M	98.8	Very high	97.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-43.2	176	-70.4	178.3	179.9	0	0	111.7	V219 L244 Q245 W250 F251 R252 F260 I274 V281 I306	V219-M248 HydrophobicContact CG1-CE 4.15Å; V219-M248 HydrophobicContact CG2-CE 4.18Å; L244-M248 WeakPolarHBondContact O-CB 3.36Å; L244-M248 VanDerWaalsContact O-CG 3.27Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 3Å; Q245-M248 PolarHBondContact O-N 3.47Å; M248-W250 VanDerWaalsContact C-N 3.29Å; M248-W250 PolarHBondContact O-N 3.32Å; M248-F251 WeakPolarHBondContact O-CB 3.43Å; M248-F251 PolarHBondContact O-N 3.17Å; M248-F251 VanDerWaalsContact O-N 3.1Å; M248-R252 WeakPolarHBondContact O-CG 3.45Å; M248-R252 PolarHBondContact O-N 3.23Å; M248-F260 HydrophobicContact CB-CD1 4.39Å; M248-F260 HydrophobicContact CB-CE1 3.93Å; M248-F260 HydrophobicContact CB-CE2 4.09Å; M248-F260 HydrophobicContact CB-CZ 3.77Å; M248-F260 HydrophobicContact CE-CB 4.21Å; M248-F260 HydrophobicContact CE-CG 4.32Å; M248-F260 HydrophobicContact CG-CD1 3.77Å; M248-F260 HydrophobicContact CG-CD2 4.28Å; M248-F260 HydrophobicContact CG-CE1 3.79Å; M248-F260 HydrophobicContact CG-CE2 4.3Å; M248-F260 HydrophobicContact CG-CG 4.03Å; M248-F260 HydrophobicContact CG-CZ 4.06Å; M248-F260 WeakPolarHBondContact O-CZ 3.5Å; M248-F260 HydrophobicContact SD-CD2 4.41Å; M248-F260 HydrophobicContact SD-CG 4.28Å; M248-I274 HydrophobicContact CE-CD1 4.05Å; M248-I274 HydrophobicContact CE-CG1 4.44Å; M248-I274 HydrophobicContact CE-CG2 3.72Å; M248-I274 HydrophobicContact SD-CG2 3.96Å; M248-V281 HydrophobicContact SD-CG2 4.42Å; M248-I306 HydrophobicContact CG-CD1 3.87Å
249	D	98.6	Very high	97.1	Very high	64 Å²	64	49.6 Å²	49.6	34%	0.342	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-34.6	177.9	-68.6	-19.8	0	0	0	112.4	Q245 F251 R252 A253	Q245-D249 VanDerWaalsContact NE2-CG 3.26Å; Q245-D249 PolarHBondContact NE2-OD1 3.27Å; Q245-D249 PolarHBondContact NE2-OD2 3.08Å; Q245-D249 WeakPolarHBondContact O-CB 3.37Å; Q245-D249 PolarHBondContact O-N 3.23Å; D249-F251 VanDerWaalsContact C-N 3.27Å; D249-F251 PolarHBondContact O-N 3.32Å; D249-R252 PolarHBondContact O-N 3.08Å; D249-R252 IonicContact OD1-CZ 2.79Å; D249-R252 IonicContact OD1-NH1 3.61Å; D249-R252 PolarHBondContact OD1-NH1 3.43Å; D249-A253 WeakPolarHBondContact O-CB 3.49Å; D249-A253 PolarHBondContact O-N 3.24Å
250	W	98.7	Very high	97.2	Very high	43 Å²	43	49.5 Å²	49.5	16%	0.163	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-42.2	172.5	-175.2	99.5	0	0	0	111.8	Q246 A247 M248 R254 D323 V325 V352	Q246-W250 WeakPolarHBondContact O-CB 3.37Å; Q246-W250 PolarHBondContact O-N 3.27Å; A247-W250 WeakPolarHBondContact O-CB 3.39Å; A247-W250 PolarHBondContact O-N 3.39Å; M248-W250 VanDerWaalsContact C-N 3.29Å; M248-W250 PolarHBondContact O-N 3.32Å; W250-R254 VanDerWaalsContact CE2-CD 3.47Å; W250-R254 VanDerWaalsContact NE1-CZ 3.35Å; W250-R254 WeakPolarHBondContact O-CD 3.39Å; W250-R254 PolarHBondContact O-NH1 3.4Å; W250-R254 VanDerWaalsContact O-NH1 3.13Å; W250-D323 HydrophobicContact CH2-CB 3.82Å; W250-D323 HydrophobicContact CZ3-CB 3.9Å; W250-V325 HydrophobicContact CD2-CG2 3.88Å; W250-V325 HydrophobicContact CE3-CG2 3.73Å; W250-V325 HydrophobicContact CG-CG2 4.29Å; W250-V325 HydrophobicContact CZ3-CG2 4.24Å; W250-V352 HydrophobicContact CZ2-CG2 3.82Å
251	F	98.4	Very high	97.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-73.4	-44	176.7	-83.6	-77.8	0	0	0	112.4	V217 A247 M248 D249 A253 R254 H255 F260 H304 I306 D323 V325	V217-F251 HydrophobicContact CG1-CD1 4.21Å; V217-F251 HydrophobicContact CG1-CD2 3.92Å; V217-F251 HydrophobicContact CG1-CE1 4.23Å; V217-F251 HydrophobicContact CG1-CE2 3.91Å; V217-F251 HydrophobicContact CG1-CG 4.09Å; V217-F251 HydrophobicContact CG1-CZ 4.08Å; V217-F251 HydrophobicContact CG2-CB 4.31Å; V217-F251 HydrophobicContact CG2-CD1 3.74Å; V217-F251 HydrophobicContact CG2-CE1 4.27Å; V217-F251 HydrophobicContact CG2-CG 3.98Å; A247-F251 WeakPolarHBondContact O-CD2 3.41Å; A247-F251 PolarHBondContact O-N 3.14Å; M248-F251 WeakPolarHBondContact O-CB 3.43Å; M248-F251 PolarHBondContact O-N 3.17Å; M248-F251 VanDerWaalsContact O-N 3.1Å; D249-F251 VanDerWaalsContact C-N 3.27Å; D249-F251 PolarHBondContact O-N 3.32Å; F251-A253 PolarHBondContact O-N 3.34Å; F251-R254 PolarHBondContact O-N 2.96Å; F251-H255 AromaticContact CD1-CD2 3.4Å; F251-H255 VanDerWaalsContact CD1-CD2 3.4Å; F251-H255 WeakPolarHBondContact CD1-CD2 3.45Å; F251-H255 AromaticContact CD1-NE2 3.71Å; F251-H255 AromaticContact CE1-NE2 3.88Å; F251-H255 PolarHBondContact O-N 2.96Å; F251-F260 HydrophobicContact CB-CE1 3.8Å; F251-F260 HydrophobicContact CB-CZ 3.85Å; F251-F260 HydrophobicContact CD2-CE1 4.43Å; F251-F260 HydrophobicContact CG-CE1 4.31Å; F251-H304 HydrophobicContact CD1-CB 4.19Å; F251-H304 HydrophobicContact CE1-CB 3.3Å; F251-H304 AromaticContact CE1-CG 3.6Å; F251-H304 HydrophobicContact CZ-CB 3.74Å; F251-I306 HydrophobicContact CD2-CD1 3.8Å; F251-I306 HydrophobicContact CD2-CG1 3.71Å; F251-I306 HydrophobicContact CE2-CD1 4.1Å; F251-I306 HydrophobicContact CE2-CG1 3.45Å; F251-I306 VanDerWaalsContact CE2-CG1 3.45Å; F251-D323 HydrophobicContact CE1-CB 3.92Å; F251-D323 HydrophobicContact CZ-CB 4.21Å; F251-V325 HydrophobicContact CD2-CG2 4.29Å; F251-V325 HydrophobicContact CE2-CB 4.1Å; F251-V325 HydrophobicContact CE2-CG2 3.58Å; F251-V325 HydrophobicContact CZ-CG2 4.2Å
252	R	97.3	Very high	97.2	Very high	45 Å²	45	40 Å²	40	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-55.8	-34.9	175.3	-70.3	170	179	138.2	-0.9	112.2	M248 D249 R254 P258 F260 D280	M248-R252 WeakPolarHBondContact O-CG 3.45Å; M248-R252 PolarHBondContact O-N 3.23Å; D249-R252 PolarHBondContact O-N 3.08Å; D249-R252 IonicContact OD1-CZ 2.79Å; D249-R252 IonicContact OD1-NH1 3.61Å; D249-R252 PolarHBondContact OD1-NH1 3.43Å; R252-R254 VanDerWaalsContact C-N 3.33Å; R252-R254 PolarHBondContact O-N 3.42Å; R252-P258 HydrophobicContact CG-CG 4.1Å; R252-F260 HydrophobicContact CG-CE2 3.98Å; R252-F260 HydrophobicContact CG-CZ 4.05Å; R252-D280 IonicContact CZ-OD1 3.22Å; R252-D280 IonicContact CZ-OD2 2.83Å; R252-D280 IonicContact NE-OD1 3.61Å; R252-D280 IonicContact NE-OD2 3.79Å; R252-D280 PolarHBondContact NE-OD2 2.75Å; R252-D280 IonicContact NH2-OD1 3.87Å; R252-D280 PolarHBondContact NH2-OD1 2.99Å; R252-D280 IonicContact NH2-OD2 3.61Å; R252-D280 PolarHBondContact NH2-OD2 3.02Å
253	A	97.9	Very high	97.2	Very high	81 Å²	81	36.7 Å²	36.7	67%	0.669	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.3	178.3	0	0	0	0	0	114.5	D249 F251	D249-A253 WeakPolarHBondContact O-CB 3.49Å; D249-A253 PolarHBondContact O-N 3.24Å; F251-A253 PolarHBondContact O-N 3.34Å
254	R	97	Very high	97.2	Very high	145 Å²	145	36.8 Å²	36.8	55%	0.547	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-27.1	-169	-74.3	170.7	177	69.9	4.2	114.3	W250 F251 R252	W250-R254 VanDerWaalsContact CE2-CD 3.47Å; W250-R254 VanDerWaalsContact NE1-CZ 3.35Å; W250-R254 WeakPolarHBondContact O-CD 3.39Å; W250-R254 PolarHBondContact O-NH1 3.4Å; W250-R254 VanDerWaalsContact O-NH1 3.13Å; F251-R254 PolarHBondContact O-N 2.96Å; R252-R254 VanDerWaalsContact C-N 3.33Å; R252-R254 PolarHBondContact O-N 3.42Å
255	H	95	Very high	97.1	Very high	31 Å²	31	38.2 Å²	38.2	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	-116.4	138.6	-177.3	-59.7	-87.8	0	0	0	109.1	T215 F251 D257 P258 H304 D323	T215-H255 HydrophobicContact CG2-CB 4.18Å; F251-H255 AromaticContact CD1-CD2 3.4Å; F251-H255 VanDerWaalsContact CD1-CD2 3.4Å; F251-H255 WeakPolarHBondContact CD1-CD2 3.45Å; F251-H255 AromaticContact CD1-NE2 3.71Å; F251-H255 AromaticContact CE1-NE2 3.88Å; F251-H255 PolarHBondContact O-N 2.96Å; H255-D257 PolarHBondContact O-N 3.44Å; H255-P258 WeakPolarHBondContact O-CD 3.41Å; H255-H304 AromaticContact CE1-CD2 3.72Å; H255-H304 AromaticContact CE1-CE1 3.42Å; H255-H304 PolarHBondContact CE1-CE1 2.92Å; H255-H304 VanDerWaalsContact CE1-CE1 3.42Å; H255-H304 AromaticContact CE1-NE2 3.12Å; H255-H304 PolarHBondContact CE1-NE2 3.27Å; H255-H304 AromaticContact ND1-CD2 3.74Å; H255-H304 AromaticContact ND1-CE1 3.94Å; H255-H304 AromaticContact ND1-NE2 3.18Å; H255-H304 PolarHBondContact ND1-NE2 3.01Å; H255-H304 VanDerWaalsContact ND1-NE2 3.18Å; H255-H304 AromaticContact NE2-NE2 3.99Å; H255-D323 IonicContact CE1-OD2 2.8Å; H255-D323 PolarHBondContact CE1-OD2 2.79Å; H255-D323 IonicContact NE2-OD2 2.72Å; H255-D323 PolarHBondContact NE2-OD2 3.06Å
256	K	90.4	Very high	97	Very high	132 Å²	132	36.6 Å²	36.6	57%	0.574	19%	0.185	S	C	*	.	S	Bend	trans	-73.1	128.6	176.5	-173.7	-175.3	178.6	-151.7	0	108.7	H214	H214-K256 PolarHBondContact NE2-NZ 3.49Å
257	D	90.7	Very high	97	Very high	52 Å²	52	33.7 Å²	33.7	28%	0.278	17%	0.171	S	C	.	.	S	Bend	trans	49.1	54.1	169.9	-59.2	-32.8	0	0	0	113.5	I211 H214 H255	I211-D257 HydrophobicContact CG2-CB 3.36Å; H214-D257 IonicContact CD2-OD2 2.69Å; H214-D257 PolarHBondContact CD2-OD2 3.49Å; H214-D257 PolarHBondContact N-O 3.47Å; H255-D257 PolarHBondContact O-N 3.44Å
258	P	95.3	Very high	96.9	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.071	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144.1	-179.7	31.7	-33.4	0	0	0	110.2	T215 V217 R252 H255 F260 D280	T215-P258 CarbonylContact O-C 3.55Å; T215-P258 WeakPolarHBondContact O-CA 3.48Å; V217-P258 HydrophobicContact CG2-CB 4.11Å; R252-P258 HydrophobicContact CG-CG 4.1Å; H255-P258 WeakPolarHBondContact O-CD 3.41Å; P258-F260 HydrophobicContact CB-CE2 4.36Å; P258-F260 HydrophobicContact CB-CZ 4.16Å; P258-F260 HydrophobicContact CG-CE2 4.1Å; P258-F260 HydrophobicContact CG-CZ 4.05Å; P258-D280 WeakPolarHBondContact O-CB 3.14Å
259	I	96.5	Very high	96.9	Very high	14 Å²	14	43 Å²	43	7%	0.072	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.9	165.6	-65	-65.1	0	0	0	109	L204 P213 T215 F216 V217 V261 D280 V282	L204-I259 HydrophobicContact CD1-CG2 4.32Å; P213-I259 HydrophobicContact CB-CB 4.3Å; P213-I259 HydrophobicContact CB-CD1 4.49Å; P213-I259 HydrophobicContact CB-CG1 3.41Å; P213-I259 VanDerWaalsContact CB-CG1 3.41Å; P213-I259 HydrophobicContact CG-CG1 4.18Å; T215-I259 PolarHBondContact O-N 3.33Å; F216-I259 WeakPolarHBondContact CA-O 3.25Å; F216-I259 HydrophobicContact CD1-CB 3.9Å; F216-I259 HydrophobicContact CD1-CG2 4.18Å; F216-I259 HydrophobicContact CE1-CB 4.05Å; F216-I259 HydrophobicContact CE1-CG2 4.23Å; V217-I259 PolarHBondContact N-O 2.94Å; I259-V261 HydrophobicContact CG2-CG2 4.33Å; I259-D280 CarbonylContact C-O 3.45Å; I259-D280 WeakPolarHBondContact CA-O 3.42Å; I259-D280 HydrophobicContact CD1-CB 4.07Å; I259-V282 HydrophobicContact CG2-CG2 3.83Å
260	F	98.1	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.6	180	-60.9	-76.5	0	0	0	110.1	V217 V219 M248 F251 R252 P258 D280 V281 V282 I306	V217-F260 HydrophobicContact CB-CD1 3.72Å; V217-F260 HydrophobicContact CB-CE1 3.91Å; V217-F260 HydrophobicContact CG1-CD1 3.96Å; V217-F260 HydrophobicContact CG1-CE1 4.01Å; V217-F260 HydrophobicContact CG2-CD1 4.29Å; V217-F260 HydrophobicContact CG2-CE1 4.02Å; V217-F260 CarbonylContact O-C 3.45Å; V217-F260 WeakPolarHBondContact O-CA 3.13Å; V219-F260 HydrophobicContact CG2-CB 3.89Å; V219-F260 HydrophobicContact CG2-CD1 3.86Å; V219-F260 HydrophobicContact CG2-CG 4.35Å; M248-F260 HydrophobicContact CB-CD1 4.39Å; M248-F260 HydrophobicContact CB-CE1 3.93Å; M248-F260 HydrophobicContact CB-CE2 4.09Å; M248-F260 HydrophobicContact CB-CZ 3.77Å; M248-F260 HydrophobicContact CE-CB 4.21Å; M248-F260 HydrophobicContact CE-CG 4.32Å; M248-F260 HydrophobicContact CG-CD1 3.77Å; M248-F260 HydrophobicContact CG-CD2 4.28Å; M248-F260 HydrophobicContact CG-CE1 3.79Å; M248-F260 HydrophobicContact CG-CE2 4.3Å; M248-F260 HydrophobicContact CG-CG 4.03Å; M248-F260 HydrophobicContact CG-CZ 4.06Å; M248-F260 WeakPolarHBondContact O-CZ 3.5Å; M248-F260 HydrophobicContact SD-CD2 4.41Å; M248-F260 HydrophobicContact SD-CG 4.28Å; F251-F260 HydrophobicContact CB-CE1 3.8Å; F251-F260 HydrophobicContact CB-CZ 3.85Å; F251-F260 HydrophobicContact CD2-CE1 4.43Å; F251-F260 HydrophobicContact CG-CE1 4.31Å; R252-F260 HydrophobicContact CG-CE2 3.98Å; R252-F260 HydrophobicContact CG-CZ 4.05Å; P258-F260 HydrophobicContact CB-CE2 4.36Å; P258-F260 HydrophobicContact CB-CZ 4.16Å; P258-F260 HydrophobicContact CG-CE2 4.1Å; P258-F260 HydrophobicContact CG-CZ 4.05Å; F260-D280 HydrophobicContact CD2-CB 4.42Å; F260-D280 WeakPolarHBondContact CD2-O 3.29Å; F260-D280 WeakPolarHBondContact CE2-OD2 3.34Å; F260-D280 PolarHBondContact N-O 3.49Å; F260-V281 HydrophobicContact CB-CG2 4.33Å; F260-V281 HydrophobicContact CD2-CG2 4.41Å; F260-V282 PolarHBondContact O-N 3.28Å; F260-I306 HydrophobicContact CD1-CD1 4Å; F260-I306 HydrophobicContact CE1-CD1 3.9Å
261	V	98.3	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	98.9	-178.2	-175	0	0	0	0	108.6	L201 L204 F216 V217 V219 I259 A284 L298	L201-V261 HydrophobicContact CD2-CG2 3.91Å; L204-V261 HydrophobicContact CD1-CG2 4.41Å; F216-V261 HydrophobicContact CB-CG2 4.5Å; F216-V261 HydrophobicContact CD1-CG2 3.97Å; V217-V261 PolarHBondContact O-N 2.98Å; V219-V261 PolarHBondContact N-O 2.72Å; I259-V261 HydrophobicContact CG2-CG2 4.33Å; V261-A284 HydrophobicContact CG1-CB 3.8Å; V261-L298 HydrophobicContact CG1-CD1 3.95Å; V261-L298 HydrophobicContact CG1-CD2 3.44Å; V261-L298 VanDerWaalsContact CG1-CD2 3.44Å; V261-L298 HydrophobicContact CG1-CG 3.61Å
262	V	98.8	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.7	-170.3	-174.2	0	0	0	0	111.3	V219 V221 M267 C270 I274 V281 V282 F283 A284 G285	V219-V262 HydrophobicContact CB-CG2 4.14Å; V219-V262 WeakPolarHBondContact O-CA 3.46Å; V221-V262 HydrophobicContact CG2-CG1 4.41Å; V262-M267 HydrophobicContact CG1-CE 4.48Å; V262-M267 HydrophobicContact CG1-SD 4.32Å; V262-M267 WeakPolarHBondContact O-CE 3.36Å; V262-C270 HydrophobicContact CG1-CB 4.25Å; V262-I274 HydrophobicContact CG1-CD1 4.07Å; V262-I274 HydrophobicContact CG2-CD1 4.1Å; V262-V281 HydrophobicContact CG2-CG1 3.8Å; V262-V282 PolarHBondContact N-O 2.72Å; V262-F283 HydrophobicContact CB-CD1 3.91Å; V262-F283 HydrophobicContact CB-CE1 4.44Å; V262-F283 HydrophobicContact CG1-CD1 4.03Å; V262-F283 HydrophobicContact CG1-CE1 4.39Å; V262-F283 HydrophobicContact CG2-CD1 4.21Å; V262-F283 HydrophobicContact CG2-CE1 4.32Å; V262-A284 PolarHBondContact O-N 2.93Å; V262-G285 PolarHBondContact O-N 3.07Å
263	T	98.5	Very high	96.9	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.4	167.6	70.3	0	0	0	0	109.7	V219 V221 D295 L298 L299	V219-T263 PolarHBondContact O-N 3.13Å; V221-T263 PolarHBondContact N-O 3.23Å; T263-D295 HydrophobicContact CG2-CB 4.2Å; T263-L298 HydrophobicContact CG2-CD2 4.2Å; T263-L299 HydrophobicContact CG2-CD2 4.08Å; T263-L299 HydrophobicContact CG2-CG 4.07Å; T263-L299 WeakPolarHBondContact OG1-CD1 3.49Å; T263-L299 WeakPolarHBondContact OG1-CD2 3.4Å
264	S	98.2	Very high	96.9	Very high	3 Å²	3	46 Å²	46	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	142.7	-173	-178.3	0	0	0	0	111.2	V221 G266 C270 G287	V221-S264 WeakPolarHBondContact O-CA 3.28Å; V221-S264 WeakPolarHBondContact O-CB 3.35Å; V221-S264 PolarHBondContact O-OG 3.13Å; S264-G266 PolarHBondContact O-N 2.94Å; S264-G266 WeakPolarHBondContact OG-CA 3.35Å; S264-G266 PolarHBondContact OG-N 2.65Å; S264-G266 PolarHBondContact OG-O 2.68Å; S264-C270 VanDerWaalsContact CB-SG 3.52Å; S264-C270 PolarHBondContact OG-SG 2.95Å; S264-G287 WeakPolarHBondContact O-CA 3.39Å
265	N	96.6	Very high	96.8	Very high	34 Å²	34	42.2 Å²	42.2	18%	0.182	21%	0.208	C	C	.	.	S	Bend	trans	-84.4	10	165.3	71.5	-18.3	0	0	0	112.6	R222 R223 G224 E289	R222-N265 PolarHBondContact NH1-ND2 2.89Å; R223-N265 WeakPolarHBondContact CA-OD1 3.19Å; R223-N265 PolarHBondContact N-OD1 3.22Å; G224-N265 PolarHBondContact N-OD1 2.79Å; N265-E289 HydrophobicContact CB-CG 3.97Å; N265-E289 PolarHBondContact ND2-OE1 3.03Å
266	G	97.1	Very high	96.9	Very high	19 Å²	19	44 Å²	44	20%	0.196	22%	0.221	C	C	.	.	S	Bend	trans	-140.9	62.8	168.6	0	0	0	0	0	109.4	S264 W269 C270	S264-G266 PolarHBondContact O-N 2.94Å; S264-G266 WeakPolarHBondContact OG-CA 3.35Å; S264-G266 PolarHBondContact OG-N 2.65Å; S264-G266 PolarHBondContact OG-O 2.68Å; G266-W269 PolarHBondContact O-N 3.35Å; G266-C270 PolarHBondContact O-N 3.09Å; G266-C270 PolarHBondContact O-SG 2.87Å
267	M	97.7	Very high	97.1	Very high	31 Å²	31	42 Å²	42	15%	0.153	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-37.6	-172.5	-173.3	58.9	75.7	0	0	113.1	V262 W269 C270 M271 F283 G285	V262-M267 HydrophobicContact CG1-CE 4.48Å; V262-M267 HydrophobicContact CG1-SD 4.32Å; V262-M267 WeakPolarHBondContact O-CE 3.36Å; M267-W269 VanDerWaalsContact C-N 3.35Å; M267-W269 PolarHBondContact O-N 3.12Å; M267-C270 WeakPolarHBondContact O-CA 3.47Å; M267-C270 VanDerWaalsContact O-CB 3.3Å; M267-C270 WeakPolarHBondContact O-CB 3.42Å; M267-C270 PolarHBondContact O-N 3.39Å; M267-C270 HydrophobicContact SD-CB 4.22Å; M267-M271 HydrophobicContact CG-CE 3.77Å; M267-M271 PolarHBondContact O-N 3.26Å; M267-F283 HydrophobicContact SD-CB 3.89Å; M267-F283 HydrophobicContact SD-CD1 3.67Å; M267-F283 HydrophobicContact SD-CG 4.19Å; M267-G285 WeakPolarHBondContact CE-O 3.38Å
268	E	97.5	Very high	97.1	Very high	147 Å²	147	44.7 Å²	44.7	69%	0.687	23%	0.234	S	C	*	.	H	α-helix	trans	-55.2	-49.9	176.6	-178	173.9	-153.1	0	0	111.5	C270 M271 E272	E268-C270 PolarHBondContact O-N 3.35Å; E268-M271 PolarHBondContact O-N 2.93Å; E268-M271 VanDerWaalsContact O-N 3.09Å; E268-E272 WeakPolarHBondContact O-CG 3.48Å; E268-E272 PolarHBondContact O-N 3.42Å; E268-E272 VanDerWaalsContact O-N 3.1Å
269	W	98.1	Very high	96.9	Very high	51 Å²	51	45.9 Å²	45.9	19%	0.193	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-36.1	175.4	-177.7	89.2	0	0	0	112.4	V221 R223 L244 G266 M267 E272 N273	V221-W269 HydrophobicContact CG1-CZ3 4.17Å; R223-W269 VanDerWaalsContact NE-CG 3.31Å; R223-W269 VanDerWaalsContact NH1-CE3 3.25Å; R223-W269 VanDerWaalsContact NH1-CZ2 3.29Å; R223-W269 VanDerWaalsContact NH2-CD1 3.28Å; L244-W269 HydrophobicContact CD1-CH2 4.05Å; L244-W269 HydrophobicContact CD1-CZ3 3.7Å; G266-W269 PolarHBondContact O-N 3.35Å; M267-W269 VanDerWaalsContact C-N 3.35Å; M267-W269 PolarHBondContact O-N 3.12Å; W269-E272 PolarHBondContact O-N 2.87Å; W269-N273 VanDerWaalsContact CD1-ND2 3.34Å; W269-N273 HydrophobicContact CD2-CB 4.15Å; W269-N273 HydrophobicContact CE3-CB 4.27Å; W269-N273 HydrophobicContact CH2-CB 3.99Å; W269-N273 HydrophobicContact CZ2-CB 3.83Å; W269-N273 HydrophobicContact CZ3-CB 4.19Å; W269-N273 PolarHBondContact NE1-ND2 2.85Å; W269-N273 VanDerWaalsContact NE1-ND2 3.2Å; W269-N273 VanDerWaalsContact O-CB 3.27Å; W269-N273 WeakPolarHBondContact O-CB 3.48Å; W269-N273 PolarHBondContact O-N 3.34Å; W269-N273 PolarHBondContact O-ND2 2.65Å
270	C	98.5	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-42.1	178.1	-58.4	0	0	0	0	111.3	V262 S264 G266 M267 E268 E272 N273 I274 F283	V262-C270 HydrophobicContact CG1-CB 4.25Å; S264-C270 VanDerWaalsContact CB-SG 3.52Å; S264-C270 PolarHBondContact OG-SG 2.95Å; G266-C270 PolarHBondContact O-N 3.09Å; G266-C270 PolarHBondContact O-SG 2.87Å; M267-C270 WeakPolarHBondContact O-CA 3.47Å; M267-C270 VanDerWaalsContact O-CB 3.3Å; M267-C270 WeakPolarHBondContact O-CB 3.42Å; M267-C270 PolarHBondContact O-N 3.39Å; M267-C270 HydrophobicContact SD-CB 4.22Å; E268-C270 PolarHBondContact O-N 3.35Å; C270-E272 PolarHBondContact O-N 3.37Å; C270-N273 PolarHBondContact O-N 3.08Å; C270-I274 HydrophobicContact CB-CD1 3.91Å; C270-I274 VanDerWaalsContact O-CB 3.28Å; C270-I274 WeakPolarHBondContact O-CB 3.33Å; C270-I274 WeakPolarHBondContact O-CG1 3.41Å; C270-I274 PolarHBondContact O-N 2.74Å; C270-F283 HydrophobicContact CB-CD1 4.38Å; C270-F283 HydrophobicContact CB-CE1 4.04Å
271	M	98.2	Very high	96.8	Very high	110 Å²	110	46.5 Å²	46.5	54%	0.542	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-33.3	176.5	-65.3	-176.5	-178.6	0	0	112.3	M267 E268 F283	M267-M271 HydrophobicContact CG-CE 3.77Å; M267-M271 PolarHBondContact O-N 3.26Å; E268-M271 PolarHBondContact O-N 2.93Å; E268-M271 VanDerWaalsContact O-N 3.09Å; M271-F283 HydrophobicContact CB-CZ 4.38Å; M271-F283 HydrophobicContact CE-CB 3.94Å; M271-F283 HydrophobicContact CE-CG 4.26Å; M271-F283 HydrophobicContact CG-CD1 4Å; M271-F283 HydrophobicContact CG-CD2 3.99Å; M271-F283 HydrophobicContact CG-CE1 4.12Å; M271-F283 HydrophobicContact CG-CE2 4.1Å; M271-F283 HydrophobicContact CG-CG 3.94Å; M271-F283 HydrophobicContact CG-CZ 4.18Å
272	E	98.3	Very high	96.7	Very high	134 Å²	134	47.7 Å²	47.7	63%	0.626	26%	0.259	S	S	*	.	H	α-helix	trans	-79.1	-28.3	178.3	-68	174	167.6	0	0	114	E268 W269 C270	E268-E272 WeakPolarHBondContact O-CG 3.48Å; E268-E272 PolarHBondContact O-N 3.42Å; E268-E272 VanDerWaalsContact O-N 3.1Å; W269-E272 PolarHBondContact O-N 2.87Å; C270-E272 PolarHBondContact O-N 3.37Å
273	N	98.2	Very high	96.6	Very high	41 Å²	41	50.5 Å²	50.5	22%	0.219	27%	0.272	C	S	.	.	H	α-helix	trans	-115.4	-13.8	-165.9	-72.9	-91.9	0	0	0	114.9	R241 W269 C270	R241-N273 HydrophobicContact CB-CB 4.1Å; R241-N273 WeakPolarHBondContact CB-O 3.45Å; W269-N273 VanDerWaalsContact CD1-ND2 3.34Å; W269-N273 HydrophobicContact CD2-CB 4.15Å; W269-N273 HydrophobicContact CE3-CB 4.27Å; W269-N273 HydrophobicContact CH2-CB 3.99Å; W269-N273 HydrophobicContact CZ2-CB 3.83Å; W269-N273 HydrophobicContact CZ3-CB 4.19Å; W269-N273 PolarHBondContact NE1-ND2 2.85Å; W269-N273 VanDerWaalsContact NE1-ND2 3.2Å; W269-N273 VanDerWaalsContact O-CB 3.27Å; W269-N273 WeakPolarHBondContact O-CB 3.48Å; W269-N273 PolarHBondContact O-N 3.34Å; W269-N273 PolarHBondContact O-ND2 2.65Å; C270-N273 PolarHBondContact O-N 3.08Å
274	I	98.4	Very high	96.4	Very high	11 Å²	11	51.9 Å²	51.9	6%	0.056	28%	0.283	C	S	.	.	S	Bend	trans	-91	126.6	175.7	-66.6	176.2	0	0	0	109	L244 M248 V262 C270 T276 V281 F283	L244-I274 HydrophobicContact CD1-CD1 4.1Å; L244-I274 HydrophobicContact CD1-CG1 3.94Å; M248-I274 HydrophobicContact CE-CD1 4.05Å; M248-I274 HydrophobicContact CE-CG1 4.44Å; M248-I274 HydrophobicContact CE-CG2 3.72Å; M248-I274 HydrophobicContact SD-CG2 3.96Å; V262-I274 HydrophobicContact CG1-CD1 4.07Å; V262-I274 HydrophobicContact CG2-CD1 4.1Å; C270-I274 HydrophobicContact CB-CD1 3.91Å; C270-I274 VanDerWaalsContact O-CB 3.28Å; C270-I274 WeakPolarHBondContact O-CB 3.33Å; C270-I274 WeakPolarHBondContact O-CG1 3.41Å; C270-I274 PolarHBondContact O-N 2.74Å; I274-T276 PolarHBondContact O-N 3.1Å; I274-V281 HydrophobicContact CG2-CG1 3.95Å; I274-V281 HydrophobicContact CG2-CG2 4.04Å; I274-F283 HydrophobicContact CB-CE1 4.37Å; I274-F283 HydrophobicContact CB-CZ 4.29Å; I274-F283 HydrophobicContact CD1-CE1 4.15Å
275	D	95.6	Very high	96.1	Very high	64 Å²	64	52.3 Å²	52.3	34%	0.342	29%	0.288	S	S	.	.			trans	-69.6	119.8	174.4	-176.7	16	0	0	0	110.8	S277	D275-S277 VanDerWaalsContact CG-OG 3.23Å; D275-S277 WeakPolarHBondContact OD1-CB 3.23Å; D275-S277 PolarHBondContact OD1-N 3.22Å; D275-S277 PolarHBondContact OD1-OG 2.86Å; D275-S277 PolarHBondContact OD2-OG 2.79Å
276	T	95.9	Very high	95.7	Very high	70 Å²	70	54.1 Å²	54.1	43%	0.429	30%	0.298	S	S	.	.			trans	-106.1	4.4	179.5	58.6	0	0	0	0	112.8	I274 H278 G279 V281 F283	I274-T276 PolarHBondContact O-N 3.1Å; T276-H278 PolarHBondContact O-N 2.82Å; T276-H278 VanDerWaalsContact O-N 3.12Å; T276-G279 PolarHBondContact O-N 2.97Å; T276-V281 HydrophobicContact CG2-CB 4.04Å; T276-V281 HydrophobicContact CG2-CG1 4.19Å; T276-V281 HydrophobicContact CG2-CG2 4.49Å; T276-F283 HydrophobicContact CG2-CE2 3.78Å; T276-F283 HydrophobicContact CG2-CZ 3.88Å
277	S	94.1	Very high	95.3	Very high	89 Å²	89	54.2 Å²	54.2	62%	0.622	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.5	-176.5	68.6	0	0	0	0	113.8	D275 G279	D275-S277 VanDerWaalsContact CG-OG 3.23Å; D275-S277 WeakPolarHBondContact OD1-CB 3.23Å; D275-S277 PolarHBondContact OD1-N 3.22Å; D275-S277 PolarHBondContact OD1-OG 2.86Å; D275-S277 PolarHBondContact OD2-OG 2.79Å; S277-G279 VanDerWaalsContact C-N 3.29Å; S277-G279 PolarHBondContact O-N 2.85Å
278	H	91.4	Very high	95	Very high	109 Å²	109	58 Å²	58	51%	0.505	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.9	176.3	-74.2	-92.7	0	0	0	114	T276 D280	T276-H278 PolarHBondContact O-N 2.82Å; T276-H278 VanDerWaalsContact O-N 3.12Å; H278-D280 WeakPolarHBondContact CB-OD1 3.48Å; H278-D280 PolarHBondContact O-N 2.85Å
279	G	91.6	Very high	94.7	Very high	35 Å²	35	54.8 Å²	54.8	36%	0.361	30%	0.301	S	S	.	.	S	Bend	trans	65.4	26.2	-177.9	0	0	0	0	0	113.6	W209 T276 S277	W209-G279 WeakPolarHBondContact CZ3-O 3.21Å; T276-G279 PolarHBondContact O-N 2.97Å; S277-G279 VanDerWaalsContact C-N 3.29Å; S277-G279 PolarHBondContact O-N 2.85Å
280	D	94.5	Very high	94.3	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.08	33%	0.326	C	S	.	.			trans	-117.1	12.9	-176.4	63.5	-5	0	0	0	113.6	R252 P258 I259 F260 H278	R252-D280 IonicContact CZ-OD1 3.22Å; R252-D280 IonicContact CZ-OD2 2.83Å; R252-D280 IonicContact NE-OD1 3.61Å; R252-D280 IonicContact NE-OD2 3.79Å; R252-D280 PolarHBondContact NE-OD2 2.75Å; R252-D280 IonicContact NH2-OD1 3.87Å; R252-D280 PolarHBondContact NH2-OD1 2.99Å; R252-D280 IonicContact NH2-OD2 3.61Å; R252-D280 PolarHBondContact NH2-OD2 3.02Å; P258-D280 WeakPolarHBondContact O-CB 3.14Å; I259-D280 CarbonylContact C-O 3.45Å; I259-D280 WeakPolarHBondContact CA-O 3.42Å; I259-D280 HydrophobicContact CD1-CB 4.07Å; F260-D280 HydrophobicContact CD2-CB 4.42Å; F260-D280 WeakPolarHBondContact CD2-O 3.29Å; F260-D280 WeakPolarHBondContact CE2-OD2 3.34Å; F260-D280 PolarHBondContact N-O 3.49Å; H278-D280 WeakPolarHBondContact CB-OD1 3.48Å; H278-D280 PolarHBondContact O-N 2.85Å
281	V	96.5	Very high	93.9	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.5	-177.1	-179.2	0	0	0	0	110.8	M248 F260 V262 I274 T276 F283	M248-V281 HydrophobicContact SD-CG2 4.42Å; F260-V281 HydrophobicContact CB-CG2 4.33Å; F260-V281 HydrophobicContact CD2-CG2 4.41Å; V262-V281 HydrophobicContact CG2-CG1 3.8Å; I274-V281 HydrophobicContact CG2-CG1 3.95Å; I274-V281 HydrophobicContact CG2-CG2 4.04Å; T276-V281 HydrophobicContact CG2-CB 4.04Å; T276-V281 HydrophobicContact CG2-CG1 4.19Å; T276-V281 HydrophobicContact CG2-CG2 4.49Å; V281-F283 HydrophobicContact CG1-CE1 4.19Å; V281-F283 HydrophobicContact CG1-CE2 4.2Å; V281-F283 HydrophobicContact CG1-CZ 3.93Å
282	V	96.3	Very high	93.8	Very high	24 Å²	24	57.2 Å²	57.2	15%	0.145	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.3	174.9	-176.8	0	0	0	0	109.6	L204 W209 I259 F260 V262 A284	L204-V282 HydrophobicContact CD1-CB 4.36Å; L204-V282 HydrophobicContact CD1-CG1 4.29Å; L204-V282 HydrophobicContact CD1-CG2 3.99Å; L204-V282 HydrophobicContact CD2-CG1 4.19Å; L204-V282 HydrophobicContact CD2-CG2 3.84Å; W209-V282 HydrophobicContact CZ2-CG2 4.24Å; I259-V282 HydrophobicContact CG2-CG2 3.83Å; F260-V282 PolarHBondContact O-N 3.28Å; V262-V282 PolarHBondContact N-O 2.72Å; V282-A284 HydrophobicContact CG1-CB 4.21Å; V282-A284 PolarHBondContact O-N 3.34Å
283	F	97.7	Very high	93.7	Very high	60 Å²	60	51.1 Å²	51.1	26%	0.263	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	102.3	171.4	-56.2	-76.5	0	0	0	109.6	V262 M267 C270 M271 I274 T276 V281	V262-F283 HydrophobicContact CB-CD1 3.91Å; V262-F283 HydrophobicContact CB-CE1 4.44Å; V262-F283 HydrophobicContact CG1-CD1 4.03Å; V262-F283 HydrophobicContact CG1-CE1 4.39Å; V262-F283 HydrophobicContact CG2-CD1 4.21Å; V262-F283 HydrophobicContact CG2-CE1 4.32Å; M267-F283 HydrophobicContact SD-CB 3.89Å; M267-F283 HydrophobicContact SD-CD1 3.67Å; M267-F283 HydrophobicContact SD-CG 4.19Å; C270-F283 HydrophobicContact CB-CD1 4.38Å; C270-F283 HydrophobicContact CB-CE1 4.04Å; M271-F283 HydrophobicContact CB-CZ 4.38Å; M271-F283 HydrophobicContact CE-CB 3.94Å; M271-F283 HydrophobicContact CE-CG 4.26Å; M271-F283 HydrophobicContact CG-CD1 4Å; M271-F283 HydrophobicContact CG-CD2 3.99Å; M271-F283 HydrophobicContact CG-CE1 4.12Å; M271-F283 HydrophobicContact CG-CE2 4.1Å; M271-F283 HydrophobicContact CG-CG 3.94Å; M271-F283 HydrophobicContact CG-CZ 4.18Å; I274-F283 HydrophobicContact CB-CE1 4.37Å; I274-F283 HydrophobicContact CB-CZ 4.29Å; I274-F283 HydrophobicContact CD1-CE1 4.15Å; T276-F283 HydrophobicContact CG2-CE2 3.78Å; T276-F283 HydrophobicContact CG2-CZ 3.88Å; V281-F283 HydrophobicContact CG1-CE1 4.19Å; V281-F283 HydrophobicContact CG1-CE2 4.2Å; V281-F283 HydrophobicContact CG1-CZ 3.93Å
284	A	95	Very high	93.7	Very high	29 Å²	29	56 Å²	56	24%	0.24	32%	0.324	C	S	.	.			trans	-119.1	-21.9	-167.3	0	0	0	0	0	114.2	L200 V261 V262 V282 L298	L200-A284 HydrophobicContact CD1-CB 4.06Å; L200-A284 HydrophobicContact CD2-CB 4.33Å; V261-A284 HydrophobicContact CG1-CB 3.8Å; V262-A284 PolarHBondContact O-N 2.93Å; V282-A284 HydrophobicContact CG1-CB 4.21Å; V282-A284 PolarHBondContact O-N 3.34Å; A284-L298 HydrophobicContact CB-CD2 3.39Å
285	G	90.6	Very high	93.7	Very high	12 Å²	12	56 Å²	56	12%	0.124	33%	0.325	C	S	.	.			trans	-71.8	147.8	178.4	0	0	0	0	0	113	V262 M267 D295	V262-G285 PolarHBondContact O-N 3.07Å; M267-G285 WeakPolarHBondContact CE-O 3.38Å; G285-D295 VanDerWaalsContact CA-OD1 3.22Å; G285-D295 WeakPolarHBondContact CA-OD1 3.24Å
286	N	89.6	Confident	93.8	Very high	73 Å²	73	53 Å²	53	39%	0.39	31%	0.308	S	S	.	.			trans	-91.1	-12.2	173.5	70.4	16.9	0	0	0	113.1	Q288 D295	N286-Q288 HydrophobicContact CB-CG 4.33Å; N286-Q288 PolarHBondContact O-N 2.8Å; N286-Q288 VanDerWaalsContact O-N 3.16Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.23Å; N286-Q288 PolarHBondContact OD1-N 3Å; N286-D295 PolarHBondContact N-OD1 2.91Å; N286-D295 PolarHBondContact N-OD2 3.08Å; N286-D295 PolarHBondContact OD1-OD1 3.16Å
287	G	88	Confident	93.9	Very high	20 Å²	20	49.7 Å²	49.7	21%	0.206	29%	0.288	C	S	.	.			trans	67.4	10.1	177.6	0	0	0	0	0	114.9	S264 E289 D295	S264-G287 WeakPolarHBondContact O-CA 3.39Å; G287-E289 PolarHBondContact O-N 2.98Å; G287-E289 VanDerWaalsContact O-N 3.12Å; G287-D295 PolarHBondContact N-OD2 3.2Å
288	Q	91.4	Very high	94.1	Very high	111 Å²	111	45.8 Å²	45.8	52%	0.519	26%	0.26	S	S	.	.			trans	-80.1	97	-174.3	-67.7	-72.3	27.7	0	0	111.2	N286 S290 T291	N286-Q288 HydrophobicContact CB-CG 4.33Å; N286-Q288 PolarHBondContact O-N 2.8Å; N286-Q288 VanDerWaalsContact O-N 3.16Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.23Å; N286-Q288 PolarHBondContact OD1-N 3Å; Q288-S290 PolarHBondContact O-N 2.91Å; Q288-T291 CarbonylContact O-C 3.34Å; Q288-T291 VanDerWaalsContact O-C 3.32Å; Q288-T291 PolarHBondContact O-N 3.24Å; Q288-T291 VanDerWaalsContact O-N 3.08Å
289	E	89.9	Confident	94.4	Very high	79 Å²	79	40.6 Å²	40.6	37%	0.369	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.3	-174.8	-57.5	-166.2	105.3	0	0	114	R90 R222 N265 G287 T291	R90-E289 IonicContact CZ-OE1 3.64Å; R90-E289 IonicContact CZ-OE2 3.48Å; R90-E289 IonicContact NH1-OE1 3.7Å; R90-E289 PolarHBondContact NH1-OE1 3.04Å; R90-E289 IonicContact NH1-OE2 3.49Å; R90-E289 PolarHBondContact NH1-OE2 3.36Å; R222-E289 IonicContact CZ-OE1 3.13Å; R222-E289 IonicContact NH1-OE1 3.42Å; R222-E289 PolarHBondContact NH1-OE1 2.82Å; R222-E289 IonicContact NH2-OE1 2.65Å; R222-E289 PolarHBondContact NH2-OE1 2.83Å; N265-E289 HydrophobicContact CB-CG 3.97Å; N265-E289 PolarHBondContact ND2-OE1 3.03Å; G287-E289 PolarHBondContact O-N 2.98Å; G287-E289 VanDerWaalsContact O-N 3.12Å; E289-T291 VanDerWaalsContact C-N 3.33Å
290	S	89.6	Confident	94.8	Very high	103 Å²	103	39.7 Å²	39.7	72%	0.72	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.1	177	60.4	0	0	0	0	113.5	Q288	Q288-S290 PolarHBondContact O-N 2.91Å
291	T	91.3	Very high	94.9	Very high	87 Å²	87	41.7 Å²	41.7	53%	0.534	23%	0.233	S	C	.	.	S	Bend	trans	-136.3	60.2	-179.3	51.3	0	0	0	0	110.8	Q288 E289 G293	Q288-T291 CarbonylContact O-C 3.34Å; Q288-T291 VanDerWaalsContact O-C 3.32Å; Q288-T291 PolarHBondContact O-N 3.24Å; Q288-T291 VanDerWaalsContact O-N 3.08Å; E289-T291 VanDerWaalsContact C-N 3.33Å; T291-G293 PolarHBondContact O-N 2.94Å; T291-G293 VanDerWaalsContact O-N 3.08Å
292	P	95.5	Very high	95	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.143	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.1	-164.4	33.6	-38.2	0	0	0	114	F91 K294 D295 F296 F312	F91-P292 HydrophobicContact CB-CG 3.83Å; F91-P292 HydrophobicContact CD1-CG 4.28Å; F91-P292 HydrophobicContact CD2-CG 3.81Å; F91-P292 HydrophobicContact CE2-CG 4.44Å; F91-P292 HydrophobicContact CG-CG 3.72Å; P292-K294 VanDerWaalsContact C-N 3.28Å; P292-K294 PolarHBondContact O-N 2.86Å; P292-D295 PolarHBondContact O-N 3.31Å; P292-F296 WeakPolarHBondContact O-CB 3.23Å; P292-F296 PolarHBondContact O-N 3.34Å; P292-F312 HydrophobicContact CB-CE2 3.76Å; P292-F312 HydrophobicContact CB-CZ 4.24Å
293	G	97.4	Very high	95.1	Very high	6 Å²	6	43.5 Å²	43.5	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-32.6	-173.4	0	0	0	0	0	114.6	T291 A297	T291-G293 PolarHBondContact O-N 2.94Å; T291-G293 VanDerWaalsContact O-N 3.08Å; G293-A297 WeakPolarHBondContact O-CB 3.4Å; G293-A297 PolarHBondContact O-N 3Å
294	K	96.8	Very high	95.1	Very high	143 Å²	143	41.6 Å²	41.6	62%	0.622	23%	0.234	S	C	*	.	H	α-helix	trans	-68.8	-49.9	178.2	-70.4	-177.4	178.7	178.4	0	111.8	L193 P292 F296 A297 L298	L193-K294 HydrophobicContact CD2-CG 4.22Å; P292-K294 VanDerWaalsContact C-N 3.28Å; P292-K294 PolarHBondContact O-N 2.86Å; K294-F296 VanDerWaalsContact C-N 3.33Å; K294-A297 PolarHBondContact O-N 2.95Å; K294-L298 PolarHBondContact O-N 2.88Å
295	D	97.9	Very high	95.3	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-40.5	178.3	-74.5	12.2	0	0	0	110.7	T263 G285 N286 G287 P292 L298 L299	T263-D295 HydrophobicContact CG2-CB 4.2Å; G285-D295 VanDerWaalsContact CA-OD1 3.22Å; G285-D295 WeakPolarHBondContact CA-OD1 3.24Å; N286-D295 PolarHBondContact N-OD1 2.91Å; N286-D295 PolarHBondContact N-OD2 3.08Å; N286-D295 PolarHBondContact OD1-OD1 3.16Å; G287-D295 PolarHBondContact N-OD2 3.2Å; P292-D295 PolarHBondContact O-N 3.31Å; D295-L298 PolarHBondContact O-N 3.41Å; D295-L299 WeakPolarHBondContact O-CG 3.33Å; D295-L299 PolarHBondContact O-N 2.95Å; D295-L299 VanDerWaalsContact O-N 3.09Å
296	F	98.6	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-42.6	177.5	-162.2	-92.5	0	0	0	112.4	F91 M95 F126 P292 K294 L298 L299 T300 F312 W315 A316 L319	F91-F296 HydrophobicContact CD1-CD2 4.27Å; F91-F296 HydrophobicContact CE1-CB 4.27Å; F91-F296 HydrophobicContact CE1-CD1 4.08Å; F91-F296 AromaticContact CE1-CD2 3.79Å; F91-F296 HydrophobicContact CE1-CD2 3.79Å; F91-F296 HydrophobicContact CE1-CE1 4.4Å; F91-F296 HydrophobicContact CE1-CE2 4.11Å; F91-F296 AromaticContact CE1-CG 3.76Å; F91-F296 HydrophobicContact CE1-CG 3.76Å; F91-F296 HydrophobicContact CE1-CZ 4.41Å; M95-F296 HydrophobicContact CE-CE1 4.03Å; M95-F296 HydrophobicContact CE-CZ 3.65Å; M95-F296 HydrophobicContact SD-CE1 4.25Å; M95-F296 HydrophobicContact SD-CE2 3.99Å; M95-F296 HydrophobicContact SD-CZ 3.67Å; F126-F296 HydrophobicContact CE1-CD1 4.1Å; F126-F296 AromaticContact CE1-CE1 3.9Å; F126-F296 HydrophobicContact CE1-CE1 3.9Å; F126-F296 AromaticContact CZ-CD1 3.72Å; F126-F296 HydrophobicContact CZ-CD1 3.72Å; F126-F296 AromaticContact CZ-CE1 3.44Å; F126-F296 HydrophobicContact CZ-CE1 3.44Å; F126-F296 VanDerWaalsContact CZ-CE1 3.44Å; F126-F296 HydrophobicContact CZ-CZ 4.26Å; P292-F296 WeakPolarHBondContact O-CB 3.23Å; P292-F296 PolarHBondContact O-N 3.34Å; K294-F296 VanDerWaalsContact C-N 3.33Å; F296-L298 VanDerWaalsContact C-N 3.28Å; F296-L298 PolarHBondContact O-N 3.08Å; F296-L299 PolarHBondContact O-N 3.44Å; F296-T300 HydrophobicContact CD1-CG2 3.86Å; F296-T300 HydrophobicContact CE1-CG2 3.45Å; F296-T300 VanDerWaalsContact CE1-CG2 3.45Å; F296-T300 HydrophobicContact CZ-CG2 3.96Å; F296-T300 WeakPolarHBondContact O-CG2 3.34Å; F296-T300 PolarHBondContact O-N 3.28Å; F296-T300 PolarHBondContact O-OG1 3.04Å; F296-F312 HydrophobicContact CB-CE2 4.06Å; F296-F312 HydrophobicContact CB-CZ 3.68Å; F296-F312 HydrophobicContact CD2-CD1 4.26Å; F296-F312 HydrophobicContact CD2-CD2 4Å; F296-F312 AromaticContact CD2-CE1 3.88Å; F296-F312 HydrophobicContact CD2-CE1 3.88Å; F296-F312 AromaticContact CD2-CE2 3.52Å; F296-F312 HydrophobicContact CD2-CE2 3.52Å; F296-F312 HydrophobicContact CD2-CG 4.36Å; F296-F312 AromaticContact CD2-CZ 3.52Å; F296-F312 HydrophobicContact CD2-CZ 3.52Å; F296-F312 HydrophobicContact CE2-CE2 4.44Å; F296-F312 HydrophobicContact CG-CE2 4.22Å; F296-F312 HydrophobicContact CG-CZ 4.09Å; F296-W315 HydrophobicContact CE2-CB 3.98Å; F296-W315 HydrophobicContact CZ-CB 3.85Å; F296-A316 HydrophobicContact CD2-CB 4.41Å; F296-A316 HydrophobicContact CE2-CB 3.98Å; F296-A316 HydrophobicContact CZ-CB 4.43Å; F296-L319 HydrophobicContact CE1-CD1 3.9Å; F296-L319 HydrophobicContact CZ-CD1 4.05Å
297	A	98.4	Very high	96.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-38.5	174.6	0	0	0	0	0	111.6	L189 L193 A197 G293 K294 T300 Q301	L189-A297 HydrophobicContact CD1-CB 3.79Å; L189-A297 HydrophobicContact CD2-CB 4.08Å; L193-A297 HydrophobicContact CB-CB 3.95Å; A197-A297 HydrophobicContact CB-CB 4.23Å; G293-A297 WeakPolarHBondContact O-CB 3.4Å; G293-A297 PolarHBondContact O-N 3Å; K294-A297 PolarHBondContact O-N 2.95Å; A297-T300 WeakPolarHBondContact CA-OG1 3.35Å; A297-T300 PolarHBondContact O-OG1 2.87Å; A297-Q301 WeakPolarHBondContact O-CB 3.49Å; A297-Q301 WeakPolarHBondContact O-CG 3.14Å; A297-Q301 PolarHBondContact O-N 2.88Å
298	L	98	Very high	96.5	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-46.3	177.6	-175.1	59.5	0	0	0	112.3	A197 L200 L201 V261 T263 A284 K294 D295 F296 Q301 C302	A197-L298 HydrophobicContact CB-CD1 4.41Å; L200-L298 HydrophobicContact CD1-CD2 4.31Å; L200-L298 HydrophobicContact CD2-CD1 4.09Å; L201-L298 HydrophobicContact CD1-CD1 4.44Å; L201-L298 HydrophobicContact CD2-CD1 3.82Å; L201-L298 HydrophobicContact CG-CD1 3.95Å; V261-L298 HydrophobicContact CG1-CD1 3.95Å; V261-L298 HydrophobicContact CG1-CD2 3.44Å; V261-L298 VanDerWaalsContact CG1-CD2 3.44Å; V261-L298 HydrophobicContact CG1-CG 3.61Å; T263-L298 HydrophobicContact CG2-CD2 4.2Å; A284-L298 HydrophobicContact CB-CD2 3.39Å; K294-L298 PolarHBondContact O-N 2.88Å; D295-L298 PolarHBondContact O-N 3.41Å; F296-L298 VanDerWaalsContact C-N 3.28Å; F296-L298 PolarHBondContact O-N 3.08Å; L298-Q301 PolarHBondContact O-N 2.57Å; L298-C302 PolarHBondContact O-N 3.15Å; L298-C302 PolarHBondContact O-SG 3.16Å
299	L	98.6	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-46.2	178.3	-67.9	170.3	0	0	0	112.1	H220 T263 D295 F296 Q301 C302 F312 A316	H220-L299 HydrophobicContact CB-CD1 3.84Å; H220-L299 HydrophobicContact CB-CD2 4.25Å; T263-L299 HydrophobicContact CG2-CD2 4.08Å; T263-L299 HydrophobicContact CG2-CG 4.07Å; T263-L299 WeakPolarHBondContact OG1-CD1 3.49Å; T263-L299 WeakPolarHBondContact OG1-CD2 3.4Å; D295-L299 WeakPolarHBondContact O-CG 3.33Å; D295-L299 PolarHBondContact O-N 2.95Å; D295-L299 VanDerWaalsContact O-N 3.09Å; F296-L299 PolarHBondContact O-N 3.44Å; L299-Q301 PolarHBondContact O-N 3.45Å; L299-C302 VanDerWaalsContact O-CB 3.31Å; L299-C302 WeakPolarHBondContact O-CB 3.42Å; L299-C302 PolarHBondContact O-N 3.15Å; L299-C302 VanDerWaalsContact O-N 3.11Å; L299-F312 HydrophobicContact CD1-CD1 4.31Å; L299-F312 HydrophobicContact CD1-CE1 3.75Å; L299-A316 HydrophobicContact CB-CB 3.81Å; L299-A316 HydrophobicContact CD1-CB 3.77Å; L299-A316 HydrophobicContact CG-CB 4.44Å
300	T	98.2	Very high	97	Very high	17 Å²	17	27.5 Å²	27.5	10%	0.104	16%	0.158	C	C	.	.	H	α-helix	trans	-69.6	-16.1	-177.5	50.4	0	0	0	0	114.1	F296 A297 L319	F296-T300 HydrophobicContact CD1-CG2 3.86Å; F296-T300 HydrophobicContact CE1-CG2 3.45Å; F296-T300 VanDerWaalsContact CE1-CG2 3.45Å; F296-T300 HydrophobicContact CZ-CG2 3.96Å; F296-T300 WeakPolarHBondContact O-CG2 3.34Å; F296-T300 PolarHBondContact O-N 3.28Å; F296-T300 PolarHBondContact O-OG1 3.04Å; A297-T300 WeakPolarHBondContact CA-OG1 3.35Å; A297-T300 PolarHBondContact O-OG1 2.87Å; T300-L319 HydrophobicContact CG2-CB 3.91Å; T300-L319 HydrophobicContact CG2-CD1 4.37Å
301	Q	97.7	Very high	97.3	Very high	57 Å²	57	23.9 Å²	23.9	27%	0.266	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-3	175.5	-65.2	-74.5	92.6	0	0	113.1	L189 A197 Q198 L201 A297 L298 L299	L189-Q301 HydrophobicContact CD1-CG 4.34Å; A197-Q301 HydrophobicContact CB-CB 4.23Å; A197-Q301 HydrophobicContact CB-CG 3.93Å; Q198-Q301 VanDerWaalsContact CG-NE2 3.29Å; Q198-Q301 VanDerWaalsContact NE2-NE2 3.19Å; L201-Q301 HydrophobicContact CD1-CB 3.84Å; L201-Q301 WeakPolarHBondContact CD1-O 3.46Å; A297-Q301 WeakPolarHBondContact O-CB 3.49Å; A297-Q301 WeakPolarHBondContact O-CG 3.14Å; A297-Q301 PolarHBondContact O-N 2.88Å; L298-Q301 PolarHBondContact O-N 2.57Å; L299-Q301 PolarHBondContact O-N 3.45Å
302	C	98.1	Very high	97.7	Very high	6 Å²	6	21 Å²	21	4%	0.041	11%	0.112	C	C	.	.	S	Bend	trans	-76.5	165.5	168.7	-64.5	0	0	0	0	111.1	F216 L298 L299	F216-C302 HydrophobicContact CB-CB 4.08Å; L298-C302 PolarHBondContact O-N 3.15Å; L298-C302 PolarHBondContact O-SG 3.16Å; L299-C302 VanDerWaalsContact O-CB 3.31Å; L299-C302 WeakPolarHBondContact O-CB 3.42Å; L299-C302 PolarHBondContact O-N 3.15Å; L299-C302 VanDerWaalsContact O-N 3.11Å
303	N	97.9	Very high	97.8	Very high	68 Å²	68	20 Å²	20	36%	0.364	11%	0.105	S	C	.	.	S	Bend	trans	-82.1	-33.1	179.3	-62.5	100.2	0	0	0	112.9	T215 F216	T215-N303 HydrophobicContact CG2-CB 4.1Å; F216-N303 PolarHBondContact N-OD1 3.34Å; F216-N303 WeakPolarHBondContact O-CB 3.41Å; F216-N303 PolarHBondContact O-N 3.2Å
304	H	98.6	Very high	97.8	Very high	20 Å²	20	20 Å²	20	9%	0.093	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	167.7	-174	-57.4	-61.1	0	0	0	110.5	T215 F216 V217 G218 F251 H255 D323	T215-H304 WeakPolarHBondContact CG2-CD2 3.47Å; F216-H304 PolarHBondContact O-N 3.29Å; V217-H304 CarbonylContact C-O 3.56Å; V217-H304 WeakPolarHBondContact CA-O 3.45Å; V217-H304 HydrophobicContact CG1-CB 4.23Å; V217-H304 HydrophobicContact CG2-CB 4.23Å; G218-H304 PolarHBondContact N-O 2.8Å; F251-H304 HydrophobicContact CD1-CB 4.19Å; F251-H304 HydrophobicContact CE1-CB 3.3Å; F251-H304 AromaticContact CE1-CG 3.6Å; F251-H304 HydrophobicContact CZ-CB 3.74Å; H255-H304 AromaticContact CE1-CD2 3.72Å; H255-H304 AromaticContact CE1-CE1 3.42Å; H255-H304 PolarHBondContact CE1-CE1 2.92Å; H255-H304 VanDerWaalsContact CE1-CE1 3.42Å; H255-H304 AromaticContact CE1-NE2 3.12Å; H255-H304 PolarHBondContact CE1-NE2 3.27Å; H255-H304 AromaticContact ND1-CD2 3.74Å; H255-H304 AromaticContact ND1-CE1 3.94Å; H255-H304 AromaticContact ND1-NE2 3.18Å; H255-H304 PolarHBondContact ND1-NE2 3.01Å; H255-H304 VanDerWaalsContact ND1-NE2 3.18Å; H255-H304 AromaticContact NE2-NE2 3.99Å; H304-D323 WeakPolarHBondContact CA-O 3.25Å; H304-D323 VanDerWaalsContact CB-O 3.28Å; H304-D323 WeakPolarHBondContact CB-O 3.47Å; H304-D323 IonicContact CE1-OD2 3.96Å; H304-D323 PolarHBondContact CE1-OD2 2.71Å; H304-D323 VanDerWaalsContact CE1-OD2 3.3Å; H304-D323 PolarHBondContact ND1-N 2.97Å; H304-D323 IonicContact ND1-OD2 3.82Å
305	T	98.8	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.5	-178	-56.9	0	0	0	0	113.3	G218 M307 A317 D323 T324 V325	G218-T305 CarbonylContact O-C 3.32Å; G218-T305 WeakPolarHBondContact O-CA 3.43Å; T305-M307 HydrophobicContact CG2-CB 4.3Å; T305-A317 HydrophobicContact CG2-CB 3.69Å; T305-A317 WeakPolarHBondContact OG1-CA 3.45Å; T305-D323 PolarHBondContact N-O 3.43Å; T305-D323 VanDerWaalsContact N-O 3.13Å; T305-T324 CarbonylContact O-C 3.59Å; T305-T324 VanDerWaalsContact O-CA 3.24Å; T305-T324 WeakPolarHBondContact O-CA 3.22Å; T305-V325 PolarHBondContact O-N 3.12Å
306	I	98.9	Very high	98	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.5	156.1	-61.7	169.1	0	0	0	106.6	V217 G218 V219 H220 Y243 A247 M248 F251 F260 V325	V217-I306 HydrophobicContact CG1-CD1 4.09Å; V217-I306 HydrophobicContact CG1-CG1 3.91Å; G218-I306 PolarHBondContact O-N 2.95Å; V219-I306 WeakPolarHBondContact CA-O 2.97Å; V219-I306 HydrophobicContact CB-CB 4.46Å; V219-I306 HydrophobicContact CG1-CB 4.17Å; V219-I306 HydrophobicContact CG1-CG2 4.22Å; V219-I306 HydrophobicContact CG2-CB 4.2Å; V219-I306 HydrophobicContact CG2-CD1 4Å; V219-I306 HydrophobicContact CG2-CG1 4.47Å; H220-I306 PolarHBondContact N-O 3.41Å; Y243-I306 HydrophobicContact CE1-CG2 4.25Å; A247-I306 HydrophobicContact CB-CD1 3.85Å; A247-I306 HydrophobicContact CB-CG1 4.08Å; A247-I306 HydrophobicContact CB-CG2 3.72Å; M248-I306 HydrophobicContact CG-CD1 3.87Å; F251-I306 HydrophobicContact CD2-CD1 3.8Å; F251-I306 HydrophobicContact CD2-CG1 3.71Å; F251-I306 HydrophobicContact CE2-CD1 4.1Å; F251-I306 HydrophobicContact CE2-CG1 3.45Å; F251-I306 VanDerWaalsContact CE2-CG1 3.45Å; F260-I306 HydrophobicContact CD1-CD1 4Å; F260-I306 HydrophobicContact CE1-CD1 3.9Å; I306-V325 WeakPolarHBondContact CA-O 3.27Å; I306-V325 HydrophobicContact CG1-CB 4.45Å
307	M	98.4	Very high	98	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146	174.3	60.9	164.6	-74.7	0	0	111	Y243 T305 F314 A317 V325 Y326 L327 F347 W351	Y243-M307 PolarHBondContact OH-O 3.39Å; T305-M307 HydrophobicContact CG2-CB 4.3Å; M307-F314 HydrophobicContact CE-CB 4.23Å; M307-F314 VanDerWaalsContact SD-CA 3.59Å; M307-F314 HydrophobicContact SD-CB 4.28Å; M307-A317 HydrophobicContact SD-CB 4.49Å; M307-V325 PolarHBondContact N-O 3.47Å; M307-Y326 WeakPolarHBondContact O-CA 3.37Å; M307-L327 PolarHBondContact O-N 3.15Å; M307-F347 HydrophobicContact CE-CE1 3.83Å; M307-F347 HydrophobicContact SD-CE1 4.36Å; M307-W351 HydrophobicContact SD-CZ3 3.91Å
308	T	97.4	Very high	98	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.			trans	-86.4	-101	168.3	63	0	0	0	0	110.5	H220 V221 R222 Y243 L244	H220-T308 PolarHBondContact O-N 2.93Å; H220-T308 VanDerWaalsContact O-N 3.1Å; V221-T308 HydrophobicContact CG1-CG2 4.25Å; R222-T308 WeakPolarHBondContact CB-OG1 3.48Å; R222-T308 PolarHBondContact N-OG1 3.49Å; Y243-T308 HydrophobicContact CD1-CG2 4.26Å; Y243-T308 HydrophobicContact CE1-CG2 3.84Å; L244-T308 HydrophobicContact CD2-CG2 4.31Å
309	I	95.4	Very high	98	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.031	7%	0.073	C	C	.	.	S	Bend	trans	-125	152.4	-174.6	-169.8	173.3	0	0	0	110.9	R222 Y226 M230 F330	R222-I309 HydrophobicContact CB-CG2 3.93Å; R222-I309 WeakPolarHBondContact CB-O 3.22Å; R222-I309 HydrophobicContact CG-CG2 4Å; R222-I309 WeakPolarHBondContact CG-O 3.4Å; Y226-I309 HydrophobicContact CD1-CB 4.47Å; Y226-I309 HydrophobicContact CD1-CD1 3.97Å; Y226-I309 HydrophobicContact CD1-CG1 4.24Å; Y226-I309 HydrophobicContact CD1-CG2 3.48Å; Y226-I309 VanDerWaalsContact CD1-CG2 3.48Å; Y226-I309 HydrophobicContact CE1-CB 4.39Å; Y226-I309 HydrophobicContact CE1-CD1 3.78Å; Y226-I309 HydrophobicContact CE1-CG1 3.81Å; Y226-I309 HydrophobicContact CE1-CG2 3.8Å; Y226-I309 HydrophobicContact CG-CG2 4.42Å; M230-I309 HydrophobicContact CE-CD1 3.37Å; M230-I309 HydrophobicContact CG-CD1 4.4Å; M230-I309 HydrophobicContact SD-CD1 3.49Å; M230-I309 WeakPolarHBondContact SD-CD1 3.37Å; I309-F330 HydrophobicContact CD1-CD2 3.51Å; I309-F330 HydrophobicContact CD1-CE1 4.37Å; I309-F330 HydrophobicContact CD1-CE2 3.31Å; I309-F330 HydrophobicContact CD1-CG 4.13Å; I309-F330 HydrophobicContact CD1-CZ 3.79Å; I309-F330 HydrophobicContact CG1-CD2 4.46Å; I309-F330 HydrophobicContact CG1-CE1 4.37Å; I309-F330 HydrophobicContact CG1-CE2 4.06Å; I309-F330 HydrophobicContact CG1-CZ 4.01Å
310	G	95.1	Very high	97.9	Very high	21 Å²	21	14 Å²	14	22%	0.216	8%	0.08	C	C	.	.	S	Bend	trans	98.7	165.6	172.7	0	0	0	0	0	114	F312 F314	G310-F312 VanDerWaalsContact C-N 3.34Å; G310-F312 PolarHBondContact O-N 3.42Å; G310-F314 PolarHBondContact O-N 3.44Å
311	T	97.1	Very high	97.8	Very high	27 Å²	27	13.6 Å²	13.6	17%	0.166	8%	0.079	C	C	.	.	H	α-helix	trans	-72.3	-24.5	-171.5	52.1	0	0	0	0	113.6	G92 N93 C171 F314 W315	G92-T311 WeakPolarHBondContact CA-OG1 3.49Å; N93-T311 PolarHBondContact N-OG1 3.11Å; N93-T311 VanDerWaalsContact N-OG1 3.12Å; C171-T311 HydrophobicContact CB-CG2 3.96Å; T311-F314 PolarHBondContact O-N 3.32Å; T311-W315 WeakPolarHBondContact O-CB 3.39Å; T311-W315 VanDerWaalsContact O-CD1 3.26Å; T311-W315 PolarHBondContact O-N 3.04Å
312	F	98.2	Very high	97.8	Very high	28 Å²	28	13.4 Å²	13.4	12%	0.123	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-50.3	177.7	-169.3	-88.1	0	0	0	112	F91 H220 P292 F296 L299 G310 W315 A316	F91-F312 AromaticContact CD1-CD2 3.89Å; F91-F312 HydrophobicContact CD1-CD2 3.89Å; F91-F312 AromaticContact CD1-CE2 3.74Å; F91-F312 HydrophobicContact CD1-CE2 3.74Å; F91-F312 HydrophobicContact CE1-CE2 4.33Å; H220-F312 AromaticContact CD2-CD1 3.46Å; H220-F312 VanDerWaalsContact CD2-CD1 3.46Å; H220-F312 WeakPolarHBondContact CD2-CD1 3.21Å; H220-F312 AromaticContact CD2-CE1 3.77Å; H220-F312 AromaticContact CE1-CD1 3.73Å; H220-F312 AromaticContact NE2-CD1 3.25Å; H220-F312 WeakPolarHBondContact NE2-CD1 3.31Å; H220-F312 AromaticContact NE2-CE1 3.89Å; P292-F312 HydrophobicContact CB-CE2 3.76Å; P292-F312 HydrophobicContact CB-CZ 4.24Å; F296-F312 HydrophobicContact CB-CE2 4.06Å; F296-F312 HydrophobicContact CB-CZ 3.68Å; F296-F312 HydrophobicContact CD2-CD1 4.26Å; F296-F312 HydrophobicContact CD2-CD2 4Å; F296-F312 AromaticContact CD2-CE1 3.88Å; F296-F312 HydrophobicContact CD2-CE1 3.88Å; F296-F312 AromaticContact CD2-CE2 3.52Å; F296-F312 HydrophobicContact CD2-CE2 3.52Å; F296-F312 HydrophobicContact CD2-CG 4.36Å; F296-F312 AromaticContact CD2-CZ 3.52Å; F296-F312 HydrophobicContact CD2-CZ 3.52Å; F296-F312 HydrophobicContact CE2-CE2 4.44Å; F296-F312 HydrophobicContact CG-CE2 4.22Å; F296-F312 HydrophobicContact CG-CZ 4.09Å; L299-F312 HydrophobicContact CD1-CD1 4.31Å; L299-F312 HydrophobicContact CD1-CE1 3.75Å; G310-F312 VanDerWaalsContact C-N 3.34Å; G310-F312 PolarHBondContact O-N 3.42Å; F312-W315 PolarHBondContact O-N 3.14Å; F312-A316 WeakPolarHBondContact O-CB 3.27Å; F312-A316 PolarHBondContact O-N 2.93Å
313	G	98	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.9	-38.6	176.6	0	0	0	0	0	112.3	H220 A316 A317	H220-G313 WeakPolarHBondContact ND1-CA 3.34Å; G313-A316 PolarHBondContact O-N 2.86Å; G313-A317 WeakPolarHBondContact O-CB 3.35Å; G313-A317 PolarHBondContact O-N 3.47Å
314	F	98.4	Very high	97.9	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-57.2	-51.8	174.3	169.2	-91.9	0	0	0	111.6	C171 W173 F176 M307 G310 T311 A316 A317 Y318 A346 L348 W351	C171-F314 WeakPolarHBondContact SG-CD1 3.29Å; W173-F314 HydrophobicContact CB-CZ 4.35Å; F176-F314 AromaticContact CZ-CE1 3.92Å; F176-F314 HydrophobicContact CZ-CE1 3.92Å; F176-F314 AromaticContact CZ-CZ 3.96Å; F176-F314 HydrophobicContact CZ-CZ 3.96Å; M307-F314 HydrophobicContact CE-CB 4.23Å; M307-F314 VanDerWaalsContact SD-CA 3.59Å; M307-F314 HydrophobicContact SD-CB 4.28Å; G310-F314 PolarHBondContact O-N 3.44Å; T311-F314 PolarHBondContact O-N 3.32Å; F314-A316 VanDerWaalsContact C-N 3.34Å; F314-A316 PolarHBondContact O-N 2.83Å; F314-A317 PolarHBondContact O-N 3.12Å; F314-Y318 HydrophobicContact CZ-CD2 4.22Å; F314-Y318 HydrophobicContact CZ-CG 4.48Å; F314-Y318 WeakPolarHBondContact O-CB 3.27Å; F314-Y318 PolarHBondContact O-N 3.25Å; F314-A346 VanDerWaalsContact CD2-O 3.25Å; F314-A346 WeakPolarHBondContact CD2-O 3.48Å; F314-A346 WeakPolarHBondContact CE2-O 3.45Å; F314-L348 HydrophobicContact CE2-CD1 4.03Å; F314-L348 HydrophobicContact CZ-CD1 4.4Å; F314-W351 AromaticContact CD2-CH2 3.61Å; F314-W351 HydrophobicContact CD2-CH2 3.61Å; F314-W351 AromaticContact CD2-CZ3 3.59Å; F314-W351 HydrophobicContact CD2-CZ3 3.59Å; F314-W351 AromaticContact CE2-CH2 3.77Å; F314-W351 HydrophobicContact CE2-CH2 3.77Å; F314-W351 AromaticContact CE2-CZ3 3.97Å; F314-W351 HydrophobicContact CE2-CZ3 3.97Å; F314-W351 HydrophobicContact CG-CH2 4.42Å
315	W	98.7	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.6	-35.5	-178.4	-84.6	110.2	0	0	0	112.7	G92 M95 G96 A99 F176 I183 F187 F296 T311 F312 Y318 L319	G92-W315 VanDerWaalsContact O-CD1 3.23Å; G92-W315 PolarHBondContact O-NE1 3.37Å; M95-W315 HydrophobicContact CB-CD2 3.86Å; M95-W315 HydrophobicContact CB-CG 3.82Å; M95-W315 HydrophobicContact CB-CZ2 4.39Å; M95-W315 HydrophobicContact CE-CB 3.78Å; M95-W315 HydrophobicContact CE-CD2 3.86Å; M95-W315 HydrophobicContact CE-CE3 3.87Å; M95-W315 HydrophobicContact CE-CG 3.84Å; M95-W315 WeakPolarHBondContact O-CZ2 3.02Å; M95-W315 HydrophobicContact SD-CB 3.79Å; M95-W315 HydrophobicContact SD-CD2 4.45Å; M95-W315 HydrophobicContact SD-CG 3.91Å; G96-W315 VanDerWaalsContact N-NE1 3.15Å; A99-W315 HydrophobicContact CB-CH2 3.47Å; A99-W315 VanDerWaalsContact CB-CH2 3.47Å; A99-W315 HydrophobicContact CB-CZ2 3.68Å; F176-W315 HydrophobicContact CD2-CH2 4.18Å; F176-W315 HydrophobicContact CE1-CH2 4.16Å; F176-W315 HydrophobicContact CE1-CZ2 4.04Å; F176-W315 AromaticContact CE2-CH2 3.69Å; F176-W315 HydrophobicContact CE2-CH2 3.69Å; F176-W315 HydrophobicContact CE2-CZ2 4.29Å; F176-W315 HydrophobicContact CE2-CZ3 4.31Å; F176-W315 AromaticContact CZ-CH2 3.68Å; F176-W315 HydrophobicContact CZ-CH2 3.68Å; F176-W315 AromaticContact CZ-CZ2 3.79Å; F176-W315 HydrophobicContact CZ-CZ2 3.79Å; I183-W315 HydrophobicContact CG2-CH2 4.04Å; I183-W315 HydrophobicContact CG2-CZ3 3.72Å; F187-W315 HydrophobicContact CD2-CE3 4.13Å; F187-W315 HydrophobicContact CD2-CH2 4.49Å; F187-W315 AromaticContact CD2-CZ3 3.84Å; F187-W315 HydrophobicContact CD2-CZ3 3.84Å; F187-W315 AromaticContact CE2-CE3 3.95Å; F187-W315 HydrophobicContact CE2-CE3 3.95Å; F187-W315 AromaticContact CE2-CH2 3.7Å; F187-W315 HydrophobicContact CE2-CH2 3.7Å; F187-W315 HydrophobicContact CE2-CZ2 4.31Å; F187-W315 AromaticContact CE2-CZ3 3.48Å; F187-W315 HydrophobicContact CE2-CZ3 3.48Å; F187-W315 VanDerWaalsContact CE2-CZ3 3.48Å; F296-W315 HydrophobicContact CE2-CB 3.98Å; F296-W315 HydrophobicContact CZ-CB 3.85Å; T311-W315 WeakPolarHBondContact O-CB 3.39Å; T311-W315 VanDerWaalsContact O-CD1 3.26Å; T311-W315 PolarHBondContact O-N 3.04Å; F312-W315 PolarHBondContact O-N 3.14Å; W315-Y318 HydrophobicContact CE3-CD1 4.05Å; W315-Y318 AromaticContact CZ3-CD1 3.67Å; W315-Y318 HydrophobicContact CZ3-CD1 3.67Å; W315-Y318 HydrophobicContact CZ3-CE1 4.1Å; W315-Y318 HydrophobicContact CZ3-CG 4.47Å; W315-Y318 PolarHBondContact O-N 3.22Å; W315-L319 HydrophobicContact CE3-CG 4.41Å; W315-L319 WeakPolarHBondContact O-CB 3.46Å; W315-L319 WeakPolarHBondContact O-CG 3.25Å; W315-L319 PolarHBondContact O-N 2.91Å; W315-L319 VanDerWaalsContact O-N 3.1Å
316	A	98.5	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-48.7	172.8	0	0	0	0	0	111.3	F296 L299 F312 G313 F314 L319 A320	F296-A316 HydrophobicContact CD2-CB 4.41Å; F296-A316 HydrophobicContact CE2-CB 3.98Å; F296-A316 HydrophobicContact CZ-CB 4.43Å; L299-A316 HydrophobicContact CB-CB 3.81Å; L299-A316 HydrophobicContact CD1-CB 3.77Å; L299-A316 HydrophobicContact CG-CB 4.44Å; F312-A316 WeakPolarHBondContact O-CB 3.27Å; F312-A316 PolarHBondContact O-N 2.93Å; G313-A316 PolarHBondContact O-N 2.86Å; F314-A316 VanDerWaalsContact C-N 3.34Å; F314-A316 PolarHBondContact O-N 2.83Å; A316-L319 PolarHBondContact O-N 2.97Å; A316-A320 VanDerWaalsContact O-CB 3.23Å; A316-A320 WeakPolarHBondContact O-CB 3.33Å; A316-A320 PolarHBondContact O-N 2.84Å
317	A	98.6	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-45.2	176.8	0	0	0	0	0	112.7	T305 M307 G313 F314 L319 G321 T324 W351	T305-A317 HydrophobicContact CG2-CB 3.69Å; T305-A317 WeakPolarHBondContact OG1-CA 3.45Å; M307-A317 HydrophobicContact SD-CB 4.49Å; G313-A317 WeakPolarHBondContact O-CB 3.35Å; G313-A317 PolarHBondContact O-N 3.47Å; F314-A317 PolarHBondContact O-N 3.12Å; A317-L319 VanDerWaalsContact C-N 3.3Å; A317-L319 PolarHBondContact O-N 3.27Å; A317-G321 PolarHBondContact O-N 3.41Å; A317-T324 HydrophobicContact CB-CG2 3.66Å; A317-W351 HydrophobicContact CB-CH2 3.52Å; A317-W351 HydrophobicContact CB-CZ2 3.68Å; A317-W351 HydrophobicContact CB-CZ3 4.19Å
318	Y	98.6	Very high	97.8	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-59.9	-40	-178.9	-172	-99.6	0	0	0	112.8	F176 H177 R180 I183 F314 W315 L348	F176-Y318 HydrophobicContact CD2-CE1 4.35Å; F176-Y318 HydrophobicContact CE2-CD1 4.49Å; F176-Y318 AromaticContact CE2-CE1 3.96Å; F176-Y318 HydrophobicContact CE2-CE1 3.96Å; F176-Y318 HydrophobicContact CE2-CE2 4.03Å; F176-Y318 AromaticContact CE2-CZ 3.7Å; H177-Y318 AromaticContact ND1-CE2 3.44Å; H177-Y318 WeakPolarHBondContact ND1-CE2 3.48Å; H177-Y318 AromaticContact ND1-CZ 3.62Å; H177-Y318 PolarHBondContact ND1-OH 2.95Å; R180-Y318 HydrophobicContact CG-CE1 4.39Å; I183-Y318 HydrophobicContact CG2-CE1 4.1Å; F314-Y318 HydrophobicContact CZ-CD2 4.22Å; F314-Y318 HydrophobicContact CZ-CG 4.48Å; F314-Y318 WeakPolarHBondContact O-CB 3.27Å; F314-Y318 PolarHBondContact O-N 3.25Å; W315-Y318 HydrophobicContact CE3-CD1 4.05Å; W315-Y318 AromaticContact CZ3-CD1 3.67Å; W315-Y318 HydrophobicContact CZ3-CD1 3.67Å; W315-Y318 HydrophobicContact CZ3-CE1 4.1Å; W315-Y318 HydrophobicContact CZ3-CG 4.47Å; W315-Y318 PolarHBondContact O-N 3.22Å; Y318-L348 HydrophobicContact CD2-CD1 3.63Å; Y318-L348 HydrophobicContact CD2-CD2 4.22Å; Y318-L348 HydrophobicContact CE2-CD1 3.94Å; Y318-L348 HydrophobicContact CE2-CD2 4.06Å
319	L	98.4	Very high	97.8	Very high	16 Å²	16	18.4 Å²	18.4	8%	0.084	12%	0.118	C	C	.	.	H	α-helix	trans	-82.5	-41.4	-179.4	-66.7	178.1	0	0	0	112.9	M95 R184 F187 F296 T300 W315 A316 A317 G321	M95-L319 HydrophobicContact CE-CD1 3.8Å; R184-L319 HydrophobicContact CG-CD2 4.36Å; R184-L319 PolarHBondContact NH1-O 2.92Å; F187-L319 HydrophobicContact CB-CD1 3.67Å; F187-L319 HydrophobicContact CB-CD2 4.17Å; F187-L319 HydrophobicContact CD2-CD1 4.21Å; F187-L319 HydrophobicContact CD2-CD2 4.25Å; F187-L319 HydrophobicContact CG-CD1 4.3Å; F296-L319 HydrophobicContact CE1-CD1 3.9Å; F296-L319 HydrophobicContact CZ-CD1 4.05Å; T300-L319 HydrophobicContact CG2-CB 3.91Å; T300-L319 HydrophobicContact CG2-CD1 4.37Å; W315-L319 HydrophobicContact CE3-CG 4.41Å; W315-L319 WeakPolarHBondContact O-CB 3.46Å; W315-L319 WeakPolarHBondContact O-CG 3.25Å; W315-L319 PolarHBondContact O-N 2.91Å; W315-L319 VanDerWaalsContact O-N 3.1Å; A316-L319 PolarHBondContact O-N 2.97Å; A317-L319 VanDerWaalsContact C-N 3.3Å; A317-L319 PolarHBondContact O-N 3.27Å; L319-G321 VanDerWaalsContact C-N 3.26Å; L319-G321 PolarHBondContact O-N 2.94Å
320	A	97.8	Very high	97.9	Very high	19 Å²	19	18.4 Å²	18.4	16%	0.157	12%	0.118	C	C	.	.	H	α-helix	trans	-57.3	-43.6	173.4	0	0	0	0	0	110.8	A316	A316-A320 VanDerWaalsContact O-CB 3.23Å; A316-A320 WeakPolarHBondContact O-CB 3.33Å; A316-A320 PolarHBondContact O-N 2.84Å
321	G	96.2	Very high	98	Very high	8 Å²	8	18 Å²	18	8%	0.082	11%	0.112	C	C	.	.			trans	72.1	-155.4	-171.5	0	0	0	0	0	111.7	A317 L319	A317-G321 PolarHBondContact O-N 3.41Å; L319-G321 VanDerWaalsContact C-N 3.26Å; L319-G321 PolarHBondContact O-N 2.94Å
322	G	97.1	Very high	97.9	Very high	53 Å²	53	17.9 Å²	17.9	55%	0.546	11%	0.11	S	C	.	.	S	Bend	trans	63.9	-167.3	-173.2	0	0	0	0	0	112.9
323	D	98.4	Very high	97.7	Very high	69 Å²	69	22.3 Å²	22.3	37%	0.369	14%	0.141	S	C	.	.			trans	-60.6	139.8	172.5	-58	-65.4	0	0	0	112.4	W250 F251 H255 H304 T305	W250-D323 HydrophobicContact CH2-CB 3.82Å; W250-D323 HydrophobicContact CZ3-CB 3.9Å; F251-D323 HydrophobicContact CE1-CB 3.92Å; F251-D323 HydrophobicContact CZ-CB 4.21Å; H255-D323 IonicContact CE1-OD2 2.8Å; H255-D323 PolarHBondContact CE1-OD2 2.79Å; H255-D323 IonicContact NE2-OD2 2.72Å; H255-D323 PolarHBondContact NE2-OD2 3.06Å; H304-D323 WeakPolarHBondContact CA-O 3.25Å; H304-D323 VanDerWaalsContact CB-O 3.28Å; H304-D323 WeakPolarHBondContact CB-O 3.47Å; H304-D323 IonicContact CE1-OD2 3.96Å; H304-D323 PolarHBondContact CE1-OD2 2.71Å; H304-D323 VanDerWaalsContact CE1-OD2 3.3Å; H304-D323 PolarHBondContact ND1-N 2.97Å; H304-D323 IonicContact ND1-OD2 3.82Å; T305-D323 PolarHBondContact N-O 3.43Å; T305-D323 VanDerWaalsContact N-O 3.13Å
324	T	98.8	Very high	97.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.2	179.3	-66	0	0	0	0	110.5	T305 A317 W351 V352	T305-T324 CarbonylContact O-C 3.59Å; T305-T324 VanDerWaalsContact O-CA 3.24Å; T305-T324 WeakPolarHBondContact O-CA 3.22Å; A317-T324 HydrophobicContact CB-CG2 3.66Å; T324-W351 HydrophobicContact CG2-CD2 3.6Å; T324-W351 HydrophobicContact CG2-CE3 3.76Å; T324-W351 HydrophobicContact CG2-CG 3.96Å; T324-W351 HydrophobicContact CG2-CH2 4.42Å; T324-W351 HydrophobicContact CG2-CZ2 4.26Å; T324-W351 HydrophobicContact CG2-CZ3 4.17Å; T324-V352 PolarHBondContact O-N 3.38Å
325	V	98.9	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.9	170.6	177.5	0	0	0	0	109.4	Y243 A247 W250 F251 T305 I306 M307 V352 I354	Y243-V325 HydrophobicContact CE2-CG1 4.47Å; A247-V325 HydrophobicContact CB-CB 4.39Å; A247-V325 HydrophobicContact CB-CG1 3.72Å; W250-V325 HydrophobicContact CD2-CG2 3.88Å; W250-V325 HydrophobicContact CE3-CG2 3.73Å; W250-V325 HydrophobicContact CG-CG2 4.29Å; W250-V325 HydrophobicContact CZ3-CG2 4.24Å; F251-V325 HydrophobicContact CD2-CG2 4.29Å; F251-V325 HydrophobicContact CE2-CB 4.1Å; F251-V325 HydrophobicContact CE2-CG2 3.58Å; F251-V325 HydrophobicContact CZ-CG2 4.2Å; T305-V325 PolarHBondContact O-N 3.12Å; I306-V325 WeakPolarHBondContact CA-O 3.27Å; I306-V325 HydrophobicContact CG1-CB 4.45Å; M307-V325 PolarHBondContact N-O 3.47Å; V325-V352 CarbonylContact C-O 3.09Å; V325-V352 VanDerWaalsContact CA-O 3.28Å; V325-V352 WeakPolarHBondContact CA-O 3.12Å; V325-V352 HydrophobicContact CG2-CB 4.32Å; V325-I354 HydrophobicContact CG1-CD1 3.6Å; V325-I354 HydrophobicContact CG1-CG1 3.92Å
326	Y	98.7	Very high	97.1	Very high	37 Å²	37	31.5 Å²	31.5	15%	0.145	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155.1	178.5	72.8	-87.6	0	0	0	112.5	Y243 M307 A328 F347 W351 V352 G353 I354	Y243-Y326 WeakPolarHBondContact OH-CA 3.37Å; M307-Y326 WeakPolarHBondContact O-CA 3.37Å; Y326-A328 HydrophobicContact CD2-CB 4.31Å; Y326-A328 HydrophobicContact CE2-CB 3.72Å; Y326-A328 PolarHBondContact O-N 3.23Å; Y326-F347 HydrophobicContact CD1-CB 4.41Å; Y326-F347 HydrophobicContact CD1-CD1 4.36Å; Y326-F347 HydrophobicContact CD1-CG 4.27Å; Y326-F347 AromaticContact CD2-CD1 3.94Å; Y326-F347 HydrophobicContact CD2-CD1 3.94Å; Y326-F347 AromaticContact CD2-CD2 3.66Å; Y326-F347 HydrophobicContact CD2-CD2 3.66Å; Y326-F347 AromaticContact CD2-CE1 3.86Å; Y326-F347 HydrophobicContact CD2-CE1 3.86Å; Y326-F347 AromaticContact CD2-CE2 3.56Å; Y326-F347 HydrophobicContact CD2-CE2 3.56Å; Y326-F347 AromaticContact CD2-CG 3.84Å; Y326-F347 HydrophobicContact CD2-CG 3.84Å; Y326-F347 AromaticContact CD2-CZ 3.66Å; Y326-F347 HydrophobicContact CD2-CZ 3.66Å; Y326-F347 HydrophobicContact CE1-CB 4.03Å; Y326-F347 HydrophobicContact CE1-CD2 4.46Å; Y326-F347 HydrophobicContact CE1-CG 4.16Å; Y326-F347 HydrophobicContact CE2-CB 4.37Å; Y326-F347 HydrophobicContact CE2-CD1 4.34Å; Y326-F347 AromaticContact CE2-CD2 3.31Å; Y326-F347 HydrophobicContact CE2-CD2 3.31Å; Y326-F347 HydrophobicContact CE2-CE1 4.5Å; Y326-F347 AromaticContact CE2-CE2 3.51Å; Y326-F347 HydrophobicContact CE2-CE2 3.51Å; Y326-F347 AromaticContact CE2-CG 3.76Å; Y326-F347 HydrophobicContact CE2-CG 3.76Å; Y326-F347 HydrophobicContact CE2-CZ 4.12Å; Y326-F347 AromaticContact CG-CD1 3.97Å; Y326-F347 HydrophobicContact CG-CD1 3.97Å; Y326-F347 HydrophobicContact CG-CD2 4.4Å; Y326-F347 HydrophobicContact CG-CE1 4.11Å; Y326-F347 HydrophobicContact CG-CG 4.12Å; Y326-F347 HydrophobicContact CG-CZ 4.37Å; Y326-F347 AromaticContact CZ-CD2 3.76Å; Y326-F347 AromaticContact CZ-CG 3.92Å; Y326-W351 HydrophobicContact CD1-CB 3.86Å; Y326-W351 HydrophobicContact CD1-CE3 4.41Å; Y326-W351 HydrophobicContact CE1-CB 3.93Å; Y326-V352 VanDerWaalsContact CD1-O 3.24Å; Y326-V352 WeakPolarHBondContact CD1-O 3.27Å; Y326-V352 VanDerWaalsContact CE1-C 3.49Å; Y326-V352 PolarHBondContact N-O 3.1Å; Y326-G353 VanDerWaalsContact CE1-CA 3.47Å; Y326-G353 VanDerWaalsContact CE1-N 3.34Å; Y326-G353 VanDerWaalsContact CZ-CA 3.47Å; Y326-G353 WeakPolarHBondContact O-CA 3.43Å; Y326-I354 PolarHBondContact O-N 3.37Å
327	L	98.6	Very high	96.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	115.4	173.2	-174.5	74.4	0	0	0	109.1	Y243 M307 F330 A356	Y243-L327 HydrophobicContact CD1-CD1 4.01Å; Y243-L327 HydrophobicContact CD2-CB 4.42Å; Y243-L327 HydrophobicContact CD2-CD1 3.38Å; Y243-L327 HydrophobicContact CE1-CB 4.3Å; Y243-L327 HydrophobicContact CE1-CD1 4.38Å; Y243-L327 HydrophobicContact CE2-CB 3.95Å; Y243-L327 HydrophobicContact CE2-CD1 3.8Å; Y243-L327 HydrophobicContact CG-CD1 3.5Å; Y243-L327 PolarHBondContact OH-N 3.06Å; Y243-L327 VanDerWaalsContact OH-N 3.08Å; M307-L327 PolarHBondContact O-N 3.15Å; L327-F330 HydrophobicContact CD2-CB 3.8Å; L327-F330 HydrophobicContact CD2-CD1 4.39Å; L327-F330 HydrophobicContact CD2-CG 4.37Å; L327-F330 HydrophobicContact CG-CB 4.13Å; L327-F330 HydrophobicContact CG-CD1 4.36Å; L327-F330 VanDerWaalsContact O-CD1 3.23Å; L327-F330 WeakPolarHBondContact O-CD1 3.4Å; L327-A356 HydrophobicContact CD1-CB 3.63Å; L327-A356 HydrophobicContact CD2-CB 4.31Å; L327-A356 HydrophobicContact CG-CB 4.01Å
328	A	97.9	Very high	96.6	Very high	9 Å²	9	35.4 Å²	35.4	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	159.5	178.8	0	0	0	0	0	111.4	Y326 F330 I354 N355 A356	Y326-A328 HydrophobicContact CD2-CB 4.31Å; Y326-A328 HydrophobicContact CE2-CB 3.72Å; Y326-A328 PolarHBondContact O-N 3.23Å; A328-F330 VanDerWaalsContact C-N 3.25Å; A328-F330 PolarHBondContact O-N 3.01Å; A328-F330 VanDerWaalsContact O-N 3.12Å; A328-I354 PolarHBondContact N-O 3.09Å; A328-N355 CarbonylContact O-C 3.55Å; A328-N355 WeakPolarHBondContact O-CA 3.45Å; A328-A356 PolarHBondContact O-N 3.48Å
329	N	96.6	Very high	96.2	Very high	83 Å²	83	41.1 Å²	41.1	44%	0.444	23%	0.232	S	C	.	.			trans	50.8	41.6	170.4	-62.8	-31.9	0	0	0	114.3	T331 N355	N329-T331 PolarHBondContact O-N 2.64Å; N329-N355 PolarHBondContact ND2-OD1 2.98Å
330	F	96.8	Very high	95.8	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.031	25%	0.245	C	C	.	.			trans	-84.2	16.2	-175.6	54.4	-102.5	0	0	0	114.7	M230 G236 V237 I309 L327 A328 F337 F341 F347 A356	M230-F330 HydrophobicContact CE-CD2 3.58Å; M230-F330 HydrophobicContact CE-CE2 4.01Å; G236-F330 CarbonylContact C-O 3.56Å; G236-F330 WeakPolarHBondContact CA-O 3.37Å; V237-F330 HydrophobicContact CG2-CB 4.23Å; V237-F330 PolarHBondContact N-O 2.89Å; I309-F330 HydrophobicContact CD1-CD2 3.51Å; I309-F330 HydrophobicContact CD1-CE1 4.37Å; I309-F330 HydrophobicContact CD1-CE2 3.31Å; I309-F330 HydrophobicContact CD1-CG 4.13Å; I309-F330 HydrophobicContact CD1-CZ 3.79Å; I309-F330 HydrophobicContact CG1-CD2 4.46Å; I309-F330 HydrophobicContact CG1-CE1 4.37Å; I309-F330 HydrophobicContact CG1-CE2 4.06Å; I309-F330 HydrophobicContact CG1-CZ 4.01Å; L327-F330 HydrophobicContact CD2-CB 3.8Å; L327-F330 HydrophobicContact CD2-CD1 4.39Å; L327-F330 HydrophobicContact CD2-CG 4.37Å; L327-F330 HydrophobicContact CG-CB 4.13Å; L327-F330 HydrophobicContact CG-CD1 4.36Å; L327-F330 VanDerWaalsContact O-CD1 3.23Å; L327-F330 WeakPolarHBondContact O-CD1 3.4Å; A328-F330 VanDerWaalsContact C-N 3.25Å; A328-F330 PolarHBondContact O-N 3.01Å; A328-F330 VanDerWaalsContact O-N 3.12Å; F330-F337 HydrophobicContact CE2-CD1 4.08Å; F330-F337 AromaticContact CE2-CE1 3.48Å; F330-F337 HydrophobicContact CE2-CE1 3.48Å; F330-F337 VanDerWaalsContact CE2-CE1 3.48Å; F330-F337 HydrophobicContact CE2-CZ 4.18Å; F330-F337 AromaticContact CZ-CE1 3.81Å; F330-F337 HydrophobicContact CZ-CE1 3.81Å; F330-F337 HydrophobicContact CZ-CZ 4.45Å; F330-F341 HydrophobicContact CZ-CE1 4.04Å; F330-F341 HydrophobicContact CZ-CZ 4.33Å; F330-F347 HydrophobicContact CE1-CZ 4.5Å; F330-A356 HydrophobicContact CB-CB 3.93Å
331	T	97.1	Very high	95.5	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.074	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-136.6	151.7	176.6	59.3	0	0	0	0	110.8	M230 K235 N329 F337	M230-T331 HydrophobicContact CE-CG2 4.25Å; K235-T331 WeakPolarHBondContact O-CA 3.28Å; N329-T331 PolarHBondContact O-N 2.64Å; T331-F337 HydrophobicContact CG2-CB 4.2Å; T331-F337 HydrophobicContact CG2-CD1 3.8Å; T331-F337 HydrophobicContact CG2-CG 4.26Å
332	L	96.1	Very high	95.3	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.131	26%	0.262	C	S	.	.			trans	-60.9	151.5	169.8	-66.7	179.9	0	0	0	111.3	K235 D334 S335 L358 L361 Q362	K235-L332 HydrophobicContact CB-CB 4.22Å; K235-L332 HydrophobicContact CB-CD1 4.16Å; K235-L332 HydrophobicContact CB-CG 4.33Å; K235-L332 HydrophobicContact CD-CD1 4.45Å; K235-L332 PolarHBondContact O-N 3.07Å; L332-D334 VanDerWaalsContact CB-OD1 3.31Å; L332-D334 WeakPolarHBondContact CB-OD1 3.3Å; L332-D334 PolarHBondContact O-N 3.49Å; L332-D334 VanDerWaalsContact O-N 3.15Å; L332-S335 WeakPolarHBondContact O-CB 3.48Å; L332-S335 PolarHBondContact O-N 3.47Å; L332-L358 HydrophobicContact CD2-CB 4.37Å; L332-L358 HydrophobicContact CD2-CD1 4.26Å; L332-L361 HydrophobicContact CD1-CB 4.35Å; L332-L361 HydrophobicContact CG-CD1 4.08Å; L332-Q362 HydrophobicContact CD2-CG 4.42Å
333	P	93.3	Very high	95	Very high	120 Å²	120	49.7 Å²	49.7	78%	0.779	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.8	-177.5	-25.8	35.2	0	0	0	115.3	L338	P333-L338 WeakPolarHBondContact O-CD1 3.46Å
334	D	93.6	Very high	94.7	Very high	92 Å²	92	52 Å²	52	49%	0.492	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	9.8	179.5	72.5	-37.7	0	0	0	113	K235 L332	K235-D334 IonicContact NZ-OD1 3.65Å; K235-D334 IonicContact NZ-OD2 2.64Å; K235-D334 PolarHBondContact NZ-OD2 2.81Å; L332-D334 VanDerWaalsContact CB-OD1 3.31Å; L332-D334 WeakPolarHBondContact CB-OD1 3.3Å; L332-D334 PolarHBondContact O-N 3.49Å; L332-D334 VanDerWaalsContact O-N 3.15Å
335	S	95.5	Very high	94.5	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.035	26%	0.26	C	S	.	.			trans	-67.4	132.5	178.7	178.6	0	0	0	0	112.3	W234 L332 F337 L338	W234-S335 WeakPolarHBondContact O-CB 3.44Å; W234-S335 PolarHBondContact O-OG 3.09Å; L332-S335 WeakPolarHBondContact O-CB 3.48Å; L332-S335 PolarHBondContact O-N 3.47Å; S335-F337 PolarHBondContact O-N 2.86Å; S335-F337 VanDerWaalsContact O-N 3.13Å; S335-F337 VanDerWaalsContact OG-CB 3.23Å; S335-F337 WeakPolarHBondContact OG-CB 3.39Å; S335-F337 PolarHBondContact OG-N 3.14Å; S335-F337 VanDerWaalsContact OG-N 3.09Å; S335-L338 WeakPolarHBondContact O-CB 3.1Å; S335-L338 PolarHBondContact O-N 3.42Å; S335-L338 VanDerWaalsContact O-N 3.07Å
336	E	93.9	Very high	94.2	Very high	104 Å²	104	52.7 Å²	52.7	49%	0.486	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.2	170.2	-65.9	-64	118.4	0	0	112.7	L338 K339	E336-L338 PolarHBondContact O-N 3.01Å; E336-K339 VanDerWaalsContact CD-CE 3.49Å; E336-K339 WeakPolarHBondContact O-CB 3.43Å; E336-K339 PolarHBondContact O-N 3.28Å; E336-K339 WeakPolarHBondContact OE1-CE 3.44Å; E336-K339 IonicContact OE1-NZ 3.3Å; E336-K339 PolarHBondContact OE1-NZ 3.04Å; E336-K339 VanDerWaalsContact OE2-CD 3.29Å; E336-K339 WeakPolarHBondContact OE2-CD 3.17Å; E336-K339 WeakPolarHBondContact OE2-CE 3.33Å; E336-K339 IonicContact OE2-NZ 3.38Å; E336-K339 PolarHBondContact OE2-NZ 2.85Å
337	F	93.2	Very high	94.1	Very high	27 Å²	27	51.7 Å²	51.7	12%	0.118	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-33.9	174.9	-170.4	-108.3	0	0	0	111.8	W234 F330 T331 S335 K339 I340 F341	W234-F337 HydrophobicContact CB-CB 4.19Å; W234-F337 HydrophobicContact CD2-CB 4.15Å; W234-F337 AromaticContact CD2-CD2 3.77Å; W234-F337 HydrophobicContact CD2-CD2 3.77Å; W234-F337 HydrophobicContact CD2-CG 4.37Å; W234-F337 HydrophobicContact CE3-CB 3.79Å; W234-F337 HydrophobicContact CE3-CD2 4.01Å; W234-F337 HydrophobicContact CE3-CG 4.4Å; W234-F337 HydrophobicContact CG-CB 4.35Å; W234-F337 HydrophobicContact CG-CD2 4.01Å; W234-F337 HydrophobicContact CG-CG 4.43Å; W234-F337 HydrophobicContact CZ3-CB 4.49Å; W234-F337 HydrophobicContact CZ3-CD2 4.47Å; F330-F337 HydrophobicContact CE2-CD1 4.08Å; F330-F337 AromaticContact CE2-CE1 3.48Å; F330-F337 HydrophobicContact CE2-CE1 3.48Å; F330-F337 VanDerWaalsContact CE2-CE1 3.48Å; F330-F337 HydrophobicContact CE2-CZ 4.18Å; F330-F337 AromaticContact CZ-CE1 3.81Å; F330-F337 HydrophobicContact CZ-CE1 3.81Å; F330-F337 HydrophobicContact CZ-CZ 4.45Å; T331-F337 HydrophobicContact CG2-CB 4.2Å; T331-F337 HydrophobicContact CG2-CD1 3.8Å; T331-F337 HydrophobicContact CG2-CG 4.26Å; S335-F337 PolarHBondContact O-N 2.86Å; S335-F337 VanDerWaalsContact O-N 3.13Å; S335-F337 VanDerWaalsContact OG-CB 3.23Å; S335-F337 WeakPolarHBondContact OG-CB 3.39Å; S335-F337 PolarHBondContact OG-N 3.14Å; S335-F337 VanDerWaalsContact OG-N 3.09Å; F337-K339 PolarHBondContact O-N 3.05Å; F337-I340 HydrophobicContact CD2-CD1 4.22Å; F337-I340 HydrophobicContact CD2-CG1 4.29Å; F337-I340 VanDerWaalsContact O-CG1 3.24Å; F337-I340 WeakPolarHBondContact O-CG1 3.38Å; F337-I340 PolarHBondContact O-N 2.91Å; F337-I340 VanDerWaalsContact O-N 3.08Å; F337-F341 HydrophobicContact CD1-CB 3.74Å; F337-F341 HydrophobicContact CD1-CD1 4.27Å; F337-F341 HydrophobicContact CD1-CG 4.16Å; F337-F341 HydrophobicContact CE1-CB 3.35Å; F337-F341 AromaticContact CE1-CD1 3.55Å; F337-F341 HydrophobicContact CE1-CD1 3.55Å; F337-F341 AromaticContact CE1-CD2 3.98Å; F337-F341 HydrophobicContact CE1-CD2 3.98Å; F337-F341 HydrophobicContact CE1-CE1 4.3Å; F337-F341 AromaticContact CE1-CG 3.35Å; F337-F341 HydrophobicContact CE1-CG 3.35Å; F337-F341 HydrophobicContact CE2-CB 4.22Å; F337-F341 HydrophobicContact CG-CB 4.32Å; F337-F341 HydrophobicContact CZ-CB 3.62Å; F337-F341 HydrophobicContact CZ-CD1 4.27Å; F337-F341 AromaticContact CZ-CD2 3.84Å; F337-F341 HydrophobicContact CZ-CD2 3.84Å; F337-F341 AromaticContact CZ-CG 3.66Å; F337-F341 HydrophobicContact CZ-CG 3.66Å; F337-F341 WeakPolarHBondContact O-CB 3.47Å; F337-F341 PolarHBondContact O-N 2.87Å
338	L	92.3	Very high	94	Very high	55 Å²	55	51.9 Å²	51.9	29%	0.288	26%	0.262	S	S	.	.	H	α-helix	trans	-71.8	-10.4	179.6	-62.2	175.3	0	0	0	113.6	P333 S335 E336 R342	P333-L338 WeakPolarHBondContact O-CD1 3.46Å; S335-L338 WeakPolarHBondContact O-CB 3.1Å; S335-L338 PolarHBondContact O-N 3.42Å; S335-L338 VanDerWaalsContact O-N 3.07Å; E336-L338 PolarHBondContact O-N 3.01Å; L338-R342 PolarHBondContact O-NH1 3.2Å
339	K	90.7	Very high	93.9	Very high	121 Å²	121	56.1 Å²	56.1	53%	0.526	29%	0.289	S	S	.	.	H	α-helix	trans	-78.2	-28.9	170.4	-60.3	-175.7	-174.6	169.4	0	111.9	W151 E336 F337	W151-K339 WeakPolarHBondContact CZ3-O 3.5Å; E336-K339 VanDerWaalsContact CD-CE 3.49Å; E336-K339 WeakPolarHBondContact O-CB 3.43Å; E336-K339 PolarHBondContact O-N 3.28Å; E336-K339 WeakPolarHBondContact OE1-CE 3.44Å; E336-K339 IonicContact OE1-NZ 3.3Å; E336-K339 PolarHBondContact OE1-NZ 3.04Å; E336-K339 VanDerWaalsContact OE2-CD 3.29Å; E336-K339 WeakPolarHBondContact OE2-CD 3.17Å; E336-K339 WeakPolarHBondContact OE2-CE 3.33Å; E336-K339 IonicContact OE2-NZ 3.38Å; E336-K339 PolarHBondContact OE2-NZ 2.85Å; F337-K339 PolarHBondContact O-N 3.05Å
340	I	89.9	Confident	93.9	Very high	68 Å²	68	57.4 Å²	57.4	35%	0.349	29%	0.293	S	S	.	.	H	α-helix	trans	-106.2	-23.8	-177.1	63.1	171.1	0	0	0	113.6	W234 F337	W234-I340 HydrophobicContact CH2-CD1 3.79Å; W234-I340 HydrophobicContact CZ2-CD1 4.33Å; W234-I340 HydrophobicContact CZ3-CD1 4.25Å; F337-I340 HydrophobicContact CD2-CD1 4.22Å; F337-I340 HydrophobicContact CD2-CG1 4.29Å; F337-I340 VanDerWaalsContact O-CG1 3.24Å; F337-I340 WeakPolarHBondContact O-CG1 3.38Å; F337-I340 PolarHBondContact O-N 2.91Å; F337-I340 VanDerWaalsContact O-N 3.08Å
341	F	91.8	Very high	93.9	Very high	35 Å²	35	58 Å²	58	15%	0.154	30%	0.295	C	S	.	.			trans	-110.9	129.3	-177.6	-174.9	-100.5	0	0	0	111.5	F330 F337 P343 A346 F347	F330-F341 HydrophobicContact CZ-CE1 4.04Å; F330-F341 HydrophobicContact CZ-CZ 4.33Å; F337-F341 HydrophobicContact CD1-CB 3.74Å; F337-F341 HydrophobicContact CD1-CD1 4.27Å; F337-F341 HydrophobicContact CD1-CG 4.16Å; F337-F341 HydrophobicContact CE1-CB 3.35Å; F337-F341 AromaticContact CE1-CD1 3.55Å; F337-F341 HydrophobicContact CE1-CD1 3.55Å; F337-F341 AromaticContact CE1-CD2 3.98Å; F337-F341 HydrophobicContact CE1-CD2 3.98Å; F337-F341 HydrophobicContact CE1-CE1 4.3Å; F337-F341 AromaticContact CE1-CG 3.35Å; F337-F341 HydrophobicContact CE1-CG 3.35Å; F337-F341 HydrophobicContact CE2-CB 4.22Å; F337-F341 HydrophobicContact CG-CB 4.32Å; F337-F341 HydrophobicContact CZ-CB 3.62Å; F337-F341 HydrophobicContact CZ-CD1 4.27Å; F337-F341 AromaticContact CZ-CD2 3.84Å; F337-F341 HydrophobicContact CZ-CD2 3.84Å; F337-F341 AromaticContact CZ-CG 3.66Å; F337-F341 HydrophobicContact CZ-CG 3.66Å; F337-F341 WeakPolarHBondContact O-CB 3.47Å; F337-F341 PolarHBondContact O-N 2.87Å; F341-P343 HydrophobicContact CD1-CG 4.08Å; F341-P343 HydrophobicContact CE1-CB 4.24Å; F341-P343 HydrophobicContact CE1-CG 3.82Å; F341-A346 HydrophobicContact CD2-CB 4.32Å; F341-A346 HydrophobicContact CE1-CB 4.3Å; F341-A346 HydrophobicContact CE2-CB 3.36Å; F341-A346 HydrophobicContact CZ-CB 3.35Å; F341-F347 HydrophobicContact CE1-CE2 4.05Å; F341-F347 AromaticContact CZ-CE2 3.69Å; F341-F347 HydrophobicContact CZ-CE2 3.69Å; F341-F347 AromaticContact CZ-CZ 3.91Å; F341-F347 HydrophobicContact CZ-CZ 3.91Å
342	R	92.2	Very high	94	Very high	119 Å²	119	59.8 Å²	59.8	45%	0.449	31%	0.306	S	S	.	.			trans	-119.2	105.2	175.9	-60	-62.9	-174.1	-161	1	109.3	W151 L338 K344 A345 A346	W151-R342 HydrophobicContact CB-CB 3.69Å; W151-R342 HydrophobicContact CB-CG 3.43Å; W151-R342 VanDerWaalsContact CB-CG 3.43Å; W151-R342 HydrophobicContact CD2-CG 4.13Å; W151-R342 HydrophobicContact CE3-CG 4.33Å; W151-R342 HydrophobicContact CG-CG 3.78Å; L338-R342 PolarHBondContact O-NH1 3.2Å; R342-K344 VanDerWaalsContact C-N 3.26Å; R342-K344 PolarHBondContact O-N 3.32Å; R342-K344 VanDerWaalsContact O-N 3.16Å; R342-A345 HydrophobicContact CB-CB 4.01Å; R342-A345 PolarHBondContact O-N 3.14Å; R342-A346 PolarHBondContact O-N 2.96Å
343	P	91.6	Very high	94.1	Very high	53 Å²	53	60.2 Å²	60.2	34%	0.344	32%	0.316	S	S	.	.	H	α-helix	trans	-52.7	-41.3	-177.6	-28.1	32.7	0	0	0	113.9	F341 A345 A346 F347	F341-P343 HydrophobicContact CD1-CG 4.08Å; F341-P343 HydrophobicContact CE1-CB 4.24Å; F341-P343 HydrophobicContact CE1-CG 3.82Å; P343-A345 PolarHBondContact O-N 3.04Å; P343-A346 PolarHBondContact O-N 3.31Å; P343-A346 VanDerWaalsContact O-N 3.1Å; P343-F347 HydrophobicContact CB-CD2 4.24Å; P343-F347 PolarHBondContact O-N 2.95Å
344	K	91.9	Very high	94.4	Very high	119 Å²	119	55.7 Å²	55.7	52%	0.517	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-25.3	178.5	-67.5	-178.3	178.1	172.9	0	114.1	V54 W173 R342	V54-K344 HydrophobicContact CG2-CB 3.51Å; V54-K344 HydrophobicContact CG2-CD 4.32Å; W173-K344 PolarHBondContact NE1-O 3.12Å; R342-K344 VanDerWaalsContact C-N 3.26Å; R342-K344 PolarHBondContact O-N 3.32Å; R342-K344 VanDerWaalsContact O-N 3.16Å
345	A	92.9	Very high	94.6	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-93.6	-20.3	176.6	0	0	0	0	0	111.9	V54 W151 S172 W173 T174 R342 P343	V54-A345 HydrophobicContact CG1-CB 4.2Å; W151-A345 HydrophobicContact CB-CB 3.99Å; S172-A345 WeakPolarHBondContact CA-O 3.34Å; S172-A345 WeakPolarHBondContact CB-O 3.42Å; S172-A345 WeakPolarHBondContact OG-CB 3.38Å; S172-A345 PolarHBondContact OG-O 3.18Å; W173-A345 PolarHBondContact N-O 3.29Å; T174-A345 HydrophobicContact CG2-CB 4.24Å; R342-A345 HydrophobicContact CB-CB 4.01Å; R342-A345 PolarHBondContact O-N 3.14Å; P343-A345 PolarHBondContact O-N 3.04Å
346	A	93.8	Very high	94.7	Very high	13 Å²	13	55.5 Å²	55.5	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-91.5	-36.3	-178	0	0	0	0	0	113.1	F314 F341 R342 P343	F314-A346 VanDerWaalsContact CD2-O 3.25Å; F314-A346 WeakPolarHBondContact CD2-O 3.48Å; F314-A346 WeakPolarHBondContact CE2-O 3.45Å; F341-A346 HydrophobicContact CD2-CB 4.32Å; F341-A346 HydrophobicContact CE1-CB 4.3Å; F341-A346 HydrophobicContact CE2-CB 3.36Å; F341-A346 HydrophobicContact CZ-CB 3.35Å; R342-A346 PolarHBondContact O-N 2.96Å; P343-A346 PolarHBondContact O-N 3.31Å; P343-A346 VanDerWaalsContact O-N 3.1Å
347	F	96.1	Very high	94.8	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.07	28%	0.282	C	S	.	.	S	Bend	trans	-112.9	142.8	-177.7	-55.5	-62	0	0	0	111	W173 M307 Y326 F330 F341 P343 W351	W173-F347 PolarHBondContact NE1-O 3.42Å; M307-F347 HydrophobicContact CE-CE1 3.83Å; M307-F347 HydrophobicContact SD-CE1 4.36Å; Y326-F347 HydrophobicContact CD1-CB 4.41Å; Y326-F347 HydrophobicContact CD1-CD1 4.36Å; Y326-F347 HydrophobicContact CD1-CG 4.27Å; Y326-F347 AromaticContact CD2-CD1 3.94Å; Y326-F347 HydrophobicContact CD2-CD1 3.94Å; Y326-F347 AromaticContact CD2-CD2 3.66Å; Y326-F347 HydrophobicContact CD2-CD2 3.66Å; Y326-F347 AromaticContact CD2-CE1 3.86Å; Y326-F347 HydrophobicContact CD2-CE1 3.86Å; Y326-F347 AromaticContact CD2-CE2 3.56Å; Y326-F347 HydrophobicContact CD2-CE2 3.56Å; Y326-F347 AromaticContact CD2-CG 3.84Å; Y326-F347 HydrophobicContact CD2-CG 3.84Å; Y326-F347 AromaticContact CD2-CZ 3.66Å; Y326-F347 HydrophobicContact CD2-CZ 3.66Å; Y326-F347 HydrophobicContact CE1-CB 4.03Å; Y326-F347 HydrophobicContact CE1-CD2 4.46Å; Y326-F347 HydrophobicContact CE1-CG 4.16Å; Y326-F347 HydrophobicContact CE2-CB 4.37Å; Y326-F347 HydrophobicContact CE2-CD1 4.34Å; Y326-F347 AromaticContact CE2-CD2 3.31Å; Y326-F347 HydrophobicContact CE2-CD2 3.31Å; Y326-F347 HydrophobicContact CE2-CE1 4.5Å; Y326-F347 AromaticContact CE2-CE2 3.51Å; Y326-F347 HydrophobicContact CE2-CE2 3.51Å; Y326-F347 AromaticContact CE2-CG 3.76Å; Y326-F347 HydrophobicContact CE2-CG 3.76Å; Y326-F347 HydrophobicContact CE2-CZ 4.12Å; Y326-F347 AromaticContact CG-CD1 3.97Å; Y326-F347 HydrophobicContact CG-CD1 3.97Å; Y326-F347 HydrophobicContact CG-CD2 4.4Å; Y326-F347 HydrophobicContact CG-CE1 4.11Å; Y326-F347 HydrophobicContact CG-CG 4.12Å; Y326-F347 HydrophobicContact CG-CZ 4.37Å; Y326-F347 AromaticContact CZ-CD2 3.76Å; Y326-F347 AromaticContact CZ-CG 3.92Å; F330-F347 HydrophobicContact CE1-CZ 4.5Å; F341-F347 HydrophobicContact CE1-CE2 4.05Å; F341-F347 AromaticContact CZ-CE2 3.69Å; F341-F347 HydrophobicContact CZ-CE2 3.69Å; F341-F347 AromaticContact CZ-CZ 3.91Å; F341-F347 HydrophobicContact CZ-CZ 3.91Å; P343-F347 HydrophobicContact CB-CD2 4.24Å; P343-F347 PolarHBondContact O-N 2.95Å; F347-W351 HydrophobicContact CB-CE3 4.2Å; F347-W351 AromaticContact CD1-CE3 3.96Å; F347-W351 HydrophobicContact CD1-CE3 3.96Å; F347-W351 AromaticContact CD1-CZ3 4Å; F347-W351 HydrophobicContact CD1-CZ3 4Å
348	L	96.4	Very high	95	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	28%	0.284	C	S	.	.			trans	-69.3	146.5	-179.8	-82	80	0	0	0	110.5	W173 F314 Y318 E350 W351	W173-L348 HydrophobicContact CB-CD1 4.01Å; W173-L348 HydrophobicContact CB-CG 4.47Å; W173-L348 HydrophobicContact CD2-CG 4.35Å; W173-L348 HydrophobicContact CG-CD1 4.1Å; W173-L348 HydrophobicContact CG-CG 4.21Å; F314-L348 HydrophobicContact CE2-CD1 4.03Å; F314-L348 HydrophobicContact CZ-CD1 4.4Å; Y318-L348 HydrophobicContact CD2-CD1 3.63Å; Y318-L348 HydrophobicContact CD2-CD2 4.22Å; Y318-L348 HydrophobicContact CE2-CD1 3.94Å; Y318-L348 HydrophobicContact CE2-CD2 4.06Å; L348-E350 HydrophobicContact CB-CG 4.43Å; L348-E350 VanDerWaalsContact CD2-OE1 3.27Å; L348-E350 WeakPolarHBondContact CD2-OE1 3.28Å; L348-E350 PolarHBondContact O-N 3.32Å; L348-W351 HydrophobicContact CB-CD2 4.05Å; L348-W351 HydrophobicContact CB-CG 3.99Å; L348-W351 HydrophobicContact CD1-CD2 4.4Å; L348-W351 HydrophobicContact CD1-CH2 4.07Å; L348-W351 HydrophobicContact CD1-CZ2 3.72Å; L348-W351 WeakPolarHBondContact O-CB 3.27Å; L348-W351 PolarHBondContact O-N 3.04Å
349	P	96	Very high	95	Very high	99 Å²	99	54.6 Å²	54.6	64%	0.643	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.4	-177.4	-24.9	35.1	0	0	0	114.2	W173 W351	W173-P349 HydrophobicContact CH2-CG 3.87Å; W173-P349 HydrophobicContact CZ2-CG 3.73Å; P349-W351 VanDerWaalsContact C-N 3.31Å
350	E	96.1	Very high	95.1	Very high	110 Å²	110	52.2 Å²	52.2	51%	0.514	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.8	178.4	64.6	-93.7	-145.2	0	0	114.3	L348	L348-E350 HydrophobicContact CB-CG 4.43Å; L348-E350 VanDerWaalsContact CD2-OE1 3.27Å; L348-E350 WeakPolarHBondContact CD2-OE1 3.28Å; L348-E350 PolarHBondContact O-N 3.32Å
351	W	98.2	Very high	95.1	Very high	19 Å²	19	49.5 Å²	49.5	7%	0.072	27%	0.273	C	S	.	.	S	Bend	trans	-81.2	146.9	-179.9	-66.9	1.5	0	0	0	112.1	M307 F314 A317 T324 Y326 F347 L348 P349	M307-W351 HydrophobicContact SD-CZ3 3.91Å; F314-W351 AromaticContact CD2-CH2 3.61Å; F314-W351 HydrophobicContact CD2-CH2 3.61Å; F314-W351 AromaticContact CD2-CZ3 3.59Å; F314-W351 HydrophobicContact CD2-CZ3 3.59Å; F314-W351 AromaticContact CE2-CH2 3.77Å; F314-W351 HydrophobicContact CE2-CH2 3.77Å; F314-W351 AromaticContact CE2-CZ3 3.97Å; F314-W351 HydrophobicContact CE2-CZ3 3.97Å; F314-W351 HydrophobicContact CG-CH2 4.42Å; A317-W351 HydrophobicContact CB-CH2 3.52Å; A317-W351 HydrophobicContact CB-CZ2 3.68Å; A317-W351 HydrophobicContact CB-CZ3 4.19Å; T324-W351 HydrophobicContact CG2-CD2 3.6Å; T324-W351 HydrophobicContact CG2-CE3 3.76Å; T324-W351 HydrophobicContact CG2-CG 3.96Å; T324-W351 HydrophobicContact CG2-CH2 4.42Å; T324-W351 HydrophobicContact CG2-CZ2 4.26Å; T324-W351 HydrophobicContact CG2-CZ3 4.17Å; Y326-W351 HydrophobicContact CD1-CB 3.86Å; Y326-W351 HydrophobicContact CD1-CE3 4.41Å; Y326-W351 HydrophobicContact CE1-CB 3.93Å; F347-W351 HydrophobicContact CB-CE3 4.2Å; F347-W351 AromaticContact CD1-CE3 3.96Å; F347-W351 HydrophobicContact CD1-CE3 3.96Å; F347-W351 AromaticContact CD1-CZ3 4Å; F347-W351 HydrophobicContact CD1-CZ3 4Å; L348-W351 HydrophobicContact CB-CD2 4.05Å; L348-W351 HydrophobicContact CB-CG 3.99Å; L348-W351 HydrophobicContact CD1-CD2 4.4Å; L348-W351 HydrophobicContact CD1-CH2 4.07Å; L348-W351 HydrophobicContact CD1-CZ2 3.72Å; L348-W351 WeakPolarHBondContact O-CB 3.27Å; L348-W351 PolarHBondContact O-N 3.04Å; P349-W351 VanDerWaalsContact C-N 3.31Å
352	V	98.5	Very high	94.4	Very high	50 Å²	50	53.6 Å²	53.6	30%	0.303	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.2	-178	-180	0	0	0	0	110.3	W250 T324 V325 Y326	W250-V352 HydrophobicContact CZ2-CG2 3.82Å; T324-V352 PolarHBondContact O-N 3.38Å; V325-V352 CarbonylContact C-O 3.09Å; V325-V352 VanDerWaalsContact CA-O 3.28Å; V325-V352 WeakPolarHBondContact CA-O 3.12Å; V325-V352 HydrophobicContact CG2-CB 4.32Å; Y326-V352 VanDerWaalsContact CD1-O 3.24Å; Y326-V352 WeakPolarHBondContact CD1-O 3.27Å; Y326-V352 VanDerWaalsContact CE1-C 3.49Å; Y326-V352 PolarHBondContact N-O 3.1Å
353	G	98.3	Very high	93.2	Very high	34 Å²	34	52.2 Å²	52.2	35%	0.351	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.9	174.7	0	0	0	0	0	111.9	Y326	Y326-G353 VanDerWaalsContact CE1-CA 3.47Å; Y326-G353 VanDerWaalsContact CE1-N 3.34Å; Y326-G353 VanDerWaalsContact CZ-CA 3.47Å; Y326-G353 WeakPolarHBondContact O-CA 3.43Å
354	I	98.6	Very high	91.7	Very high	24 Å²	24	56.3 Å²	56.3	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.1	167.5	-61.1	175.9	0	0	0	108.2	Y243 Q246 A247 V325 Y326 A328	Y243-I354 HydrophobicContact CD2-CB 3.86Å; Y243-I354 HydrophobicContact CD2-CG2 3.85Å; Y243-I354 HydrophobicContact CE2-CB 3.8Å; Y243-I354 HydrophobicContact CE2-CG2 4.32Å; Q246-I354 HydrophobicContact CB-CD1 4.07Å; Q246-I354 HydrophobicContact CB-CG2 4.46Å; A247-I354 HydrophobicContact CB-CD1 4.13Å; V325-I354 HydrophobicContact CG1-CD1 3.6Å; V325-I354 HydrophobicContact CG1-CG1 3.92Å; Y326-I354 PolarHBondContact O-N 3.37Å; A328-I354 PolarHBondContact N-O 3.09Å
355	N	98.2	Very high	89.9	Confident	81 Å²	81	55.7 Å²	55.7	43%	0.433	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.7	-177.2	-68.2	-21.1	0	0	0	111.6	A328 N329	A328-N355 CarbonylContact O-C 3.55Å; A328-N355 WeakPolarHBondContact O-CA 3.45Å; N329-N355 PolarHBondContact ND2-OD1 2.98Å
356	A	97.7	Very high	87.9	Confident	13 Å²	13	59.8 Å²	59.8	11%	0.107	35%	0.349	C	S	.	.			trans	-68.8	152.3	170	0	0	0	0	0	111.6	V237 L327 A328 F330 L358	V237-A356 HydrophobicContact CG2-CB 3.51Å; L327-A356 HydrophobicContact CD1-CB 3.63Å; L327-A356 HydrophobicContact CD2-CB 4.31Å; L327-A356 HydrophobicContact CG-CB 4.01Å; A328-A356 PolarHBondContact O-N 3.48Å; F330-A356 HydrophobicContact CB-CB 3.93Å; A356-L358 PolarHBondContact O-N 3.45Å
357	D	96.6	Very high	85.4	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	38%	0.376	S	S	.	.			trans	-79.6	115.3	165.6	-178.9	16	0	0	0	110.4	S359	D357-S359 VanDerWaalsContact CG-OG 3.26Å; D357-S359 WeakPolarHBondContact OD1-CB 3.47Å; D357-S359 PolarHBondContact OD1-N 3.39Å; D357-S359 PolarHBondContact OD1-OG 3.21Å; D357-S359 PolarHBondContact OD2-OG 2.98Å
358	L	96.6	Very high	83.1	Confident	31 Å²	31	73.4 Å²	73.4	16%	0.162	41%	0.41	C	S	.	.			trans	-94.4	-1.4	178.8	-58.5	-179.9	0	0	0	113.1	V237 L332 A356 P360 L361 Q362	V237-L358 HydrophobicContact CG1-CD2 4.14Å; V237-L358 HydrophobicContact CG2-CD2 3.77Å; L332-L358 HydrophobicContact CD2-CB 4.37Å; L332-L358 HydrophobicContact CD2-CD1 4.26Å; A356-L358 PolarHBondContact O-N 3.45Å; L358-P360 VanDerWaalsContact C-N 3.27Å; L358-L361 HydrophobicContact CD2-CD1 4.4Å; L358-L361 PolarHBondContact O-N 3.41Å; L358-Q362 PolarHBondContact O-N 3.21Å
359	S	93.8	Very high	80.6	Confident	58 Å²	58	81.4 Å²	81.4	41%	0.406	45%	0.448	S	S	.	.	H	α-helix	trans	-52.7	-34.3	179	75.3	0	0	0	0	114.4	D357 L361 Q362 A363	D357-S359 VanDerWaalsContact CG-OG 3.26Å; D357-S359 WeakPolarHBondContact OD1-CB 3.47Å; D357-S359 PolarHBondContact OD1-N 3.39Å; D357-S359 PolarHBondContact OD1-OG 3.21Å; D357-S359 PolarHBondContact OD2-OG 2.98Å; S359-L361 PolarHBondContact O-N 3.19Å; S359-Q362 PolarHBondContact O-N 3.23Å; S359-A363 PolarHBondContact O-N 2.86Å
360	P	92.3	Very high	78.1	Confident	71 Å²	71	81.3 Å²	81.3	46%	0.461	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-23.4	178.8	-23.8	36.6	0	0	0	114.4	L358	L358-P360 VanDerWaalsContact C-N 3.27Å
361	L	89.4	Confident	75.4	Confident	11 Å²	11	82.2 Å²	82.2	6%	0.058	46%	0.458	C	S	.	.	H	α-helix	trans	-86.7	-33.1	178.2	-60.8	174.6	0	0	0	112	P231 K235 V237 L332 L358 S359 A363 Q364	P231-L361 HydrophobicContact CB-CD2 3.96Å; K235-L361 VanDerWaalsContact C-CD1 3.41Å; K235-L361 VanDerWaalsContact O-CD1 3.27Å; K235-L361 WeakPolarHBondContact O-CD1 3.28Å; V237-L361 HydrophobicContact CG1-CD1 3.7Å; V237-L361 HydrophobicContact CG1-CD2 4.37Å; V237-L361 HydrophobicContact CG1-CG 3.74Å; L332-L361 HydrophobicContact CD1-CB 4.35Å; L332-L361 HydrophobicContact CG-CD1 4.08Å; L358-L361 HydrophobicContact CD2-CD1 4.4Å; L358-L361 PolarHBondContact O-N 3.41Å; S359-L361 PolarHBondContact O-N 3.19Å; L361-A363 VanDerWaalsContact C-N 3.34Å; L361-Q364 PolarHBondContact O-N 3.08Å
362	Q	78.1	Confident	72.7	Confident	121 Å²	121	84.8 Å²	84.8	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-71.2	-33.4	-179.7	-66.4	173.7	-6.3	0	0	111.4	L332 L358 S359 Q364 V365	L332-Q362 HydrophobicContact CD2-CG 4.42Å; L358-Q362 PolarHBondContact O-N 3.21Å; S359-Q362 PolarHBondContact O-N 3.23Å; Q362-Q364 PolarHBondContact O-N 3.21Å; Q362-V365 PolarHBondContact O-N 3.29Å; Q362-V365 VanDerWaalsContact O-N 3.08Å
363	A	67.1	Low	69.9	Low	90 Å²	90	90.3 Å²	90.3	74%	0.744	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.9	174.8	0	0	0	0	0	114	S359 L361	S359-A363 PolarHBondContact O-N 2.86Å; L361-A363 VanDerWaalsContact C-N 3.34Å
364	Q	58.6	Low	67.2	Low	140 Å²	140	96.3 Å²	96.3	65%	0.654	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.3	174.4	-63.9	-178.2	-4	0	0	112.7	L361 Q362	L361-Q364 PolarHBondContact O-N 3.08Å; Q362-Q364 PolarHBondContact O-N 3.21Å
365	V	54.9	Low	64.4	Low	105 Å²	105	106.6 Å²	106.6	64%	0.636	58%	0.577	S	S	*	*	S	Bend	trans	-102.5	74.8	178.6	-170.3	0	0	0	0	109.4	Q362	Q362-V365 PolarHBondContact O-N 3.29Å; Q362-V365 VanDerWaalsContact O-N 3.08Å
366	D	49.6	Very low	61.6	Low	90 Å²	90	111 Å²	111	48%	0.481	60%	0.6	S	S	.	*			trans	70.7	147.1	157.7	-78.6	-46	0	0	0	125.1
367	P	42.7	Very low	58.9	Low	104 Å²	104	120.9 Å²	120.9	68%	0.675	66%	0.658	S	S	*	*	S	Bend		-118.8	-8.2	116.7	-4.2	23.8	0	0	0	117.6
368	W	46.4	Very low	57.1	Low	211 Å²	211	123.1 Å²	123.1	80%	0.799	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-91.4	-5.7	-162.8	-123.9	-96.1	0	0	0	117.1
369	E	45.6	Very low	55	Low	171 Å²	171	127.9 Å²	127.9	80%	0.799	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-83.9	-1	176.2	-76.6	-158.9	155.2	0	0	115.1
370	S	42.3	Very low	52.8	Low	97 Å²	97	131.8 Å²	131.8	68%	0.678	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-98.7	-9.1	-178.9	62.4	0	0	0	0	116
371	D	40.6	Very low	50.5	Low	129 Å²	129	135.4 Å²	135.4	69%	0.69	73%	0.728	S	S	*	*	S	Bend	trans	-100.3	4.1	-172.1	-133	15.5	0	0	0	114.3
372	G	39.9	Very low	48.1	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	77%	0.77	S	S	*	*	S	Bend	trans	-88.8	-6.5	-176.5	0	0	0	0	0	116.6
373	L	41.1	Very low	46.1	Very low	166 Å²	166	144.6 Å²	144.6	87%	0.869	78%	0.784	S	S	*	*	S	Bend	trans	-122.4	13.3	-169.5	-88.7	164.7	0	0	0	115.8
374	L	40.8	Very low	44.6	Very low	161 Å²	161	148.5 Å²	148.5	84%	0.843	79%	0.787	S	S	*	*	S	Bend	trans	-120.4	19.5	177	-81	168.1	0	0	0	115.1
375	R	39.2	Very low	43.5	Very low	239 Å²	239	149.2 Å²	149.2	90%	0.902	80%	0.797	S	S	*	*	S	Bend	trans	-124.3	64.4	168.3	-68.6	-168.2	-175.4	-163.2	3.1	111.8
376	L	41.3	Very low	42.5	Very low	173 Å²	173	152.8 Å²	152.8	91%	0.906	81%	0.81	S	S	*	*			trans	-163	72.5	160	-101.3	165.7	0	0	0	108.6
377	V	41.1	Very low	41.9	Very low	221 Å²	221	158.5 Å²	158.5	100%	1.339	84%	0.84	S	S	*	*			trans	-143.1	0	150.1	-176.8	0	0	0	0	107.8

Retrieved 377 of 377 residues in 174.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).