A0A3Q0KS89_SCHMA Loading...

Nicastrin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KS89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 710 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	48.7	Very low	64.6	Low	191 Å²	191	115.5 Å²	115.5	94%	0.941	61%	0.612	S	S	*	*				0	-39.6	0	-73.5	176	76	0	0	113	A3 V4 Q5	M1-A3 PolarHBondContact O-N 3.08Å; M1-V4 PolarHBondContact O-N 3.38Å; M1-Q5 PolarHBondContact O-N 2.65Å
2	C	51.8	Low	65.2	Low	101 Å²	101	112.2 Å²	112.2	68%	0.682	60%	0.599	S	S	*	*	H	α-helix	trans	-61.4	-33.7	179.5	-62	0	0	0	0	115.8	Q5 W6	C2-Q5 PolarHBondContact O-N 3.35Å; C2-W6 PolarHBondContact O-N 3.24Å; C2-W6 VanDerWaalsContact O-N 3.15Å
3	A	58.5	Low	65.3	Low	77 Å²	77	114.9 Å²	114.9	64%	0.636	60%	0.603	S	S	*	*	H	α-helix	trans	-68.6	-35.8	-179.9	0	0	0	0	0	113.3	M1 V7	M1-A3 PolarHBondContact O-N 3.08Å; A3-V7 VanDerWaalsContact O-CG2 3.29Å; A3-V7 WeakPolarHBondContact O-CG2 3.21Å; A3-V7 PolarHBondContact O-N 3.08Å; A3-V7 VanDerWaalsContact O-N 3.11Å
4	V	64.3	Low	64.9	Low	104 Å²	104	112.8 Å²	112.8	63%	0.63	59%	0.592	S	S	*	*	H	α-helix	trans	-70.9	-36.1	178.2	179.6	0	0	0	0	110.6	M1 V7 V8	M1-V4 PolarHBondContact O-N 3.38Å; V4-V7 PolarHBondContact O-N 3.2Å; V4-V8 VanDerWaalsContact O-CG2 3.3Å; V4-V8 WeakPolarHBondContact O-CG2 3.32Å; V4-V8 PolarHBondContact O-N 3.41Å
5	Q	59.1	Low	64.5	Low	130 Å²	130	115.1 Å²	115.1	61%	0.607	60%	0.595	S	S	*	*	H	α-helix	trans	-70.6	-35.2	179.5	-151.2	155.9	-15.1	0	0	112.2	M1 C2 F9	M1-Q5 PolarHBondContact O-N 2.65Å; C2-Q5 PolarHBondContact O-N 3.35Å; Q5-F9 WeakPolarHBondContact O-CB 3.27Å; Q5-F9 PolarHBondContact O-N 3.02Å
6	W	66.5	Low	64.1	Low	184 Å²	184	115.8 Å²	115.8	70%	0.697	60%	0.598	S	S	*	*	H	α-helix	trans	-69.4	-39.9	172.2	-94.1	86.1	0	0	0	113.1	C2 F9 I10	C2-W6 PolarHBondContact O-N 3.24Å; C2-W6 VanDerWaalsContact O-N 3.15Å; W6-F9 PolarHBondContact O-N 3.28Å; W6-I10 HydrophobicContact CE3-CD1 4.11Å; W6-I10 HydrophobicContact CE3-CG1 4.47Å; W6-I10 WeakPolarHBondContact O-CB 3.15Å; W6-I10 VanDerWaalsContact O-CG1 3.25Å; W6-I10 WeakPolarHBondContact O-CG1 3.43Å; W6-I10 PolarHBondContact O-N 3.34Å
7	V	72.6	Confident	63.7	Low	84 Å²	84	113.3 Å²	113.3	51%	0.509	59%	0.594	S	S	.	*	H	α-helix	trans	-67.6	-39.2	177.3	171.3	0	0	0	0	111.5	A3 V4 I10 L11	A3-V7 VanDerWaalsContact O-CG2 3.29Å; A3-V7 WeakPolarHBondContact O-CG2 3.21Å; A3-V7 PolarHBondContact O-N 3.08Å; A3-V7 VanDerWaalsContact O-N 3.11Å; V4-V7 PolarHBondContact O-N 3.2Å; V7-I10 PolarHBondContact O-N 3Å; V7-L11 HydrophobicContact CG1-CD1 3.87Å; V7-L11 WeakPolarHBondContact O-CB 3.2Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 2.95Å
8	V	75	Confident	63	Low	82 Å²	82	113.5 Å²	113.5	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-41	173.7	173.4	0	0	0	0	111	V4 L11 V12	V4-V8 VanDerWaalsContact O-CG2 3.3Å; V4-V8 WeakPolarHBondContact O-CG2 3.32Å; V4-V8 PolarHBondContact O-N 3.41Å; V8-L11 PolarHBondContact O-N 2.98Å; V8-V12 HydrophobicContact CG1-CG2 4.31Å; V8-V12 WeakPolarHBondContact O-CB 3.37Å; V8-V12 VanDerWaalsContact O-CG2 3.23Å; V8-V12 WeakPolarHBondContact O-CG2 3.41Å; V8-V12 PolarHBondContact O-N 3.24Å
9	F	69.8	Low	62.1	Low	144 Å²	144	113.7 Å²	113.7	63%	0.632	60%	0.597	S	S	*	*	H	α-helix	trans	-62.5	-42.7	174.5	-116.2	-88.6	0	0	0	112.1	Q5 W6 V12 F13	Q5-F9 WeakPolarHBondContact O-CB 3.27Å; Q5-F9 PolarHBondContact O-N 3.02Å; W6-F9 PolarHBondContact O-N 3.28Å; F9-V12 PolarHBondContact O-N 2.85Å; F9-F13 WeakPolarHBondContact O-CB 3.01Å; F9-F13 PolarHBondContact O-N 2.87Å
10	I	74.7	Confident	61.4	Low	86 Å²	86	113.8 Å²	113.8	44%	0.441	61%	0.607	S	S	.	*	H	α-helix	trans	-66.3	-41.4	177.6	-72.2	168.1	0	0	0	111.1	W6 V7 F13 L14	W6-I10 HydrophobicContact CE3-CD1 4.11Å; W6-I10 HydrophobicContact CE3-CG1 4.47Å; W6-I10 WeakPolarHBondContact O-CB 3.15Å; W6-I10 VanDerWaalsContact O-CG1 3.25Å; W6-I10 WeakPolarHBondContact O-CG1 3.43Å; W6-I10 PolarHBondContact O-N 3.34Å; V7-I10 PolarHBondContact O-N 3Å; I10-F13 PolarHBondContact O-N 2.78Å; I10-L14 HydrophobicContact CG2-CD1 3.74Å; I10-L14 VanDerWaalsContact O-CB 3.3Å; I10-L14 WeakPolarHBondContact O-CB 3.48Å; I10-L14 PolarHBondContact O-N 2.97Å
11	L	69.3	Low	60.7	Low	88 Å²	88	114.4 Å²	114.4	46%	0.461	61%	0.61	S	S	.	*	H	α-helix	trans	-65.2	-42.3	175.4	-84.8	159.7	0	0	0	112	V7 V8 L14 F15	V7-L11 HydrophobicContact CG1-CD1 3.87Å; V7-L11 WeakPolarHBondContact O-CB 3.2Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 2.95Å; V8-L11 PolarHBondContact O-N 2.98Å; L11-L14 PolarHBondContact O-N 3.16Å; L11-F15 WeakPolarHBondContact O-CB 3.25Å; L11-F15 WeakPolarHBondContact O-CD2 3.18Å; L11-F15 PolarHBondContact O-N 3.31Å
12	V	71.7	Confident	60.7	Low	75 Å²	75	110.3 Å²	110.3	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-66.1	-40.3	175.3	171.6	0	0	0	0	110.7	V8 F9 F15 I16	V8-V12 HydrophobicContact CG1-CG2 4.31Å; V8-V12 WeakPolarHBondContact O-CB 3.37Å; V8-V12 VanDerWaalsContact O-CG2 3.23Å; V8-V12 WeakPolarHBondContact O-CG2 3.41Å; V8-V12 PolarHBondContact O-N 3.24Å; F9-V12 PolarHBondContact O-N 2.85Å; V12-F15 PolarHBondContact O-N 3.09Å; V12-I16 HydrophobicContact CG1-CD1 3.65Å; V12-I16 HydrophobicContact CG1-CG1 4.43Å; V12-I16 WeakPolarHBondContact O-CB 3.45Å; V12-I16 WeakPolarHBondContact O-CD1 3.45Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å; V12-I16 PolarHBondContact O-N 3.27Å
13	F	66.4	Low	60.8	Low	148 Å²	148	110.3 Å²	110.3	65%	0.649	59%	0.593	S	S	*	*	H	α-helix	trans	-66.9	-38.7	175.6	-136.2	-91.5	0	0	0	112	F9 I10 I16 S17	F9-F13 WeakPolarHBondContact O-CB 3.01Å; F9-F13 PolarHBondContact O-N 2.87Å; I10-F13 PolarHBondContact O-N 2.78Å; F13-I16 PolarHBondContact O-N 3.35Å; F13-S17 WeakPolarHBondContact O-CB 3.41Å; F13-S17 PolarHBondContact O-N 3.28Å; F13-S17 PolarHBondContact O-OG 3.36Å
14	L	60.8	Low	60.9	Low	85 Å²	85	108.7 Å²	108.7	45%	0.445	58%	0.577	S	S	.	*	H	α-helix	trans	-64.1	-43.2	173.1	-95.3	149.4	0	0	0	111.6	I10 L11 S17 L18	I10-L14 HydrophobicContact CG2-CD1 3.74Å; I10-L14 VanDerWaalsContact O-CB 3.3Å; I10-L14 WeakPolarHBondContact O-CB 3.48Å; I10-L14 PolarHBondContact O-N 2.97Å; L11-L14 PolarHBondContact O-N 3.16Å; L14-S17 WeakPolarHBondContact CA-OG 3.38Å; L14-S17 PolarHBondContact O-N 3.37Å; L14-S17 PolarHBondContact O-OG 3.35Å; L14-L18 HydrophobicContact CD2-CD1 4.09Å; L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.32Å; L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.27Å; L14-L18 PolarHBondContact O-N 3.34Å
15	F	58	Low	61.3	Low	147 Å²	147	109.7 Å²	109.7	65%	0.645	57%	0.572	S	S	*	*	H	α-helix	trans	-65.6	-36.4	175.1	-95.8	-80.8	0	0	0	112.8	L11 V12 S17	L11-F15 WeakPolarHBondContact O-CB 3.25Å; L11-F15 WeakPolarHBondContact O-CD2 3.18Å; L11-F15 PolarHBondContact O-N 3.31Å; V12-F15 PolarHBondContact O-N 3.09Å; F15-S17 VanDerWaalsContact C-N 3.35Å
16	I	58.8	Low	62.4	Low	126 Å²	126	108.7 Å²	108.7	65%	0.646	57%	0.57	S	S	*	*	H	α-helix	trans	-74.3	-27	176.3	-65.1	165.8	0	0	0	111.7	V12 F13	V12-I16 HydrophobicContact CG1-CD1 3.65Å; V12-I16 HydrophobicContact CG1-CG1 4.43Å; V12-I16 WeakPolarHBondContact O-CB 3.45Å; V12-I16 WeakPolarHBondContact O-CD1 3.45Å; V12-I16 WeakPolarHBondContact O-CG1 3.41Å; V12-I16 PolarHBondContact O-N 3.27Å; F13-I16 PolarHBondContact O-N 3.35Å
17	S	56.3	Low	63.2	Low	74 Å²	74	102.5 Å²	102.5	52%	0.517	55%	0.553	S	S	.	*	H	α-helix	trans	-92.3	-8.9	178.6	48.6	0	0	0	0	114.6	F13 L14 F15	F13-S17 WeakPolarHBondContact O-CB 3.41Å; F13-S17 PolarHBondContact O-N 3.28Å; F13-S17 PolarHBondContact O-OG 3.36Å; L14-S17 WeakPolarHBondContact CA-OG 3.38Å; L14-S17 PolarHBondContact O-N 3.37Å; L14-S17 PolarHBondContact O-OG 3.35Å; F15-S17 VanDerWaalsContact C-N 3.35Å
18	L	52.1	Low	63.6	Low	117 Å²	117	105.3 Å²	105.3	61%	0.613	56%	0.56	S	S	*	*	S	Bend	trans	-91.3	-9.4	175.9	-86.2	155.6	0	0	0	114.3	L14	L14-L18 HydrophobicContact CD2-CD1 4.09Å; L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.32Å; L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.27Å; L14-L18 PolarHBondContact O-N 3.34Å
19	D	45.6	Very low	64	Low	118 Å²	118	109.2 Å²	109.2	63%	0.631	57%	0.573	S	S	*	*			trans	-121.2	48.2	-178.6	-83.8	-26.3	0	0	0	113.6	L21	D19-L21 PolarHBondContact O-N 2.88Å
20	S	48.4	Very low	64.9	Low	115 Å²	115	106 Å²	106	80%	0.804	56%	0.562	S	S	*	*			trans	-85	48.5	143.5	57.1	0	0	0	0	109.4	D22	S20-D22 PolarHBondContact O-N 3.28Å; S20-D22 VanDerWaalsContact O-N 3.09Å
21	L	46.2	Very low	65.8	Low	127 Å²	127	104.8 Å²	104.8	67%	0.665	55%	0.552	S	S	*	*			trans	-70.2	102.3	171.4	-142.7	88.4	0	0	0	106.6	D19 S23	D19-L21 PolarHBondContact O-N 2.88Å; L21-S23 PolarHBondContact O-N 3.39Å
22	D	49.9	Very low	67	Low	104 Å²	104	104.3 Å²	104.3	56%	0.556	55%	0.55	S	S	*	.			trans	0.5	89.7	169.2	-132	-4.2	0	0	0	114.2	S20 S24 K25	S20-D22 PolarHBondContact O-N 3.28Å; S20-D22 VanDerWaalsContact O-N 3.09Å; D22-S24 VanDerWaalsContact CG-OG 3.26Å; D22-S24 PolarHBondContact O-N 2.98Å; D22-S24 PolarHBondContact OD1-OG 3.05Å; D22-K25 PolarHBondContact O-N 3.19Å
23	S	53.3	Low	68.1	Low	101 Å²	101	105.5 Å²	105.5	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-56.2	-15.7	-176.4	74.3	0	0	0	0	113.7	L21 T27	L21-S23 PolarHBondContact O-N 3.39Å; S23-T27 PolarHBondContact O-OG1 3.49Å; S23-T27 VanDerWaalsContact O-OG1 3.08Å
24	S	59.4	Low	69.4	Low	43 Å²	43	98.7 Å²	98.7	30%	0.301	52%	0.518	S	S	.	.	H	α-helix	trans	-58	-41.8	171.3	53.4	0	0	0	0	112.8	D22 I26 T27 E28	D22-S24 VanDerWaalsContact CG-OG 3.26Å; D22-S24 PolarHBondContact O-N 2.98Å; D22-S24 PolarHBondContact OD1-OG 3.05Å; S24-I26 PolarHBondContact O-N 3.28Å; S24-T27 PolarHBondContact O-N 2.67Å; S24-E28 WeakPolarHBondContact O-CG 3.36Å; S24-E28 PolarHBondContact O-N 3.03Å
25	K	73.5	Confident	70.8	Confident	125 Å²	125	97.7 Å²	97.7	54%	0.543	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-38.9	-172.2	-76.1	-175.3	179.6	176.1	0	113.9	D22 Q29	D22-K25 PolarHBondContact O-N 3.19Å; K25-Q29 VanDerWaalsContact O-CG 3.28Å; K25-Q29 WeakPolarHBondContact O-CG 3.49Å; K25-Q29 PolarHBondContact O-N 3.48Å
26	I	81.7	Confident	72.2	Confident	109 Å²	109	94 Å²	94	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-69.7	-40.4	177.8	-63	176	0	0	0	109.7	S24 E28 Q29 I30	S24-I26 PolarHBondContact O-N 3.28Å; I26-E28 PolarHBondContact O-N 3.1Å; I26-Q29 PolarHBondContact O-N 2.91Å; I26-Q29 VanDerWaalsContact O-N 3.17Å; I26-I30 HydrophobicContact CG2-CD1 3.72Å; I26-I30 HydrophobicContact CG2-CG1 4.45Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.04Å; I26-I30 VanDerWaalsContact O-N 3.15Å
27	T	83.5	Confident	73.4	Confident	55 Å²	55	91.7 Å²	91.7	34%	0.337	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-45.1	179.1	-52.7	0	0	0	0	111	S23 S24 Q29 I30 Y31 Y33	S23-T27 PolarHBondContact O-OG1 3.49Å; S23-T27 VanDerWaalsContact O-OG1 3.08Å; S24-T27 PolarHBondContact O-N 2.67Å; T27-Q29 VanDerWaalsContact C-N 3.26Å; T27-Q29 PolarHBondContact O-N 2.88Å; T27-I30 PolarHBondContact O-N 3.41Å; T27-Y31 HydrophobicContact CG2-CD2 3.73Å; T27-Y31 HydrophobicContact CG2-CE2 4.36Å; T27-Y31 PolarHBondContact O-N 2.87Å; T27-Y33 HydrophobicContact CG2-CE2 4.49Å
28	E	81.6	Confident	74.9	Confident	142 Å²	142	91.8 Å²	91.8	66%	0.664	49%	0.487	S	S	*	.	H	α-helix	trans	-66.1	-25.2	176.5	-71.4	177.8	-179.1	0	0	113.5	S24 I26	S24-E28 WeakPolarHBondContact O-CG 3.36Å; S24-E28 PolarHBondContact O-N 3.03Å; I26-E28 PolarHBondContact O-N 3.1Å
29	Q	83.3	Confident	76.8	Confident	164 Å²	164	86.2 Å²	86.2	77%	0.766	46%	0.458	S	S	*	.	H	α-helix	trans	-78.4	-25	174.3	-76.1	177.2	-6.6	0	0	113.3	K25 I26 T27	K25-Q29 VanDerWaalsContact O-CG 3.28Å; K25-Q29 WeakPolarHBondContact O-CG 3.49Å; K25-Q29 PolarHBondContact O-N 3.48Å; I26-Q29 PolarHBondContact O-N 2.91Å; I26-Q29 VanDerWaalsContact O-N 3.17Å; T27-Q29 VanDerWaalsContact C-N 3.26Å; T27-Q29 PolarHBondContact O-N 2.88Å
30	I	88.9	Confident	79	Confident	77 Å²	77	81 Å²	81	40%	0.395	43%	0.431	S	S	.	.	H	α-helix	trans	-94.6	-47.7	-177.6	-64.1	169.9	0	0	0	110.9	I26 T27 Y651	I26-I30 HydrophobicContact CG2-CD1 3.72Å; I26-I30 HydrophobicContact CG2-CG1 4.45Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.04Å; I26-I30 VanDerWaalsContact O-N 3.15Å; T27-I30 PolarHBondContact O-N 3.41Å; I30-Y651 VanDerWaalsContact O-CB 3.24Å; I30-Y651 WeakPolarHBondContact O-CB 3.44Å
31	Y	93.3	Very high	81.2	Confident	61 Å²	61	75.7 Å²	75.7	24%	0.239	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.3	-168.8	-60.2	-74.9	0	0	0	111.1	T27 Y33 R649 Y651	T27-Y31 HydrophobicContact CG2-CD2 3.73Å; T27-Y31 HydrophobicContact CG2-CE2 4.36Å; T27-Y31 PolarHBondContact O-N 2.87Å; Y31-Y33 HydrophobicContact CG-CE2 4.44Å; Y31-R649 HydrophobicContact CD1-CG 4.31Å; Y31-Y651 AromaticContact CD1-CD1 3.47Å; Y31-Y651 HydrophobicContact CD1-CD1 3.47Å; Y31-Y651 VanDerWaalsContact CD1-CD1 3.47Å; Y31-Y651 HydrophobicContact CD1-CE1 4.15Å; Y31-Y651 AromaticContact CD1-CG 3.68Å; Y31-Y651 HydrophobicContact CD1-CG 3.68Å; Y31-Y651 AromaticContact CE1-CD1 3.55Å; Y31-Y651 HydrophobicContact CE1-CD1 3.55Å; Y31-Y651 HydrophobicContact CE1-CD2 4.09Å; Y31-Y651 AromaticContact CE1-CE1 3.85Å; Y31-Y651 HydrophobicContact CE1-CE1 3.85Å; Y31-Y651 HydrophobicContact CE1-CE2 4.39Å; Y31-Y651 AromaticContact CE1-CG 3.66Å; Y31-Y651 HydrophobicContact CE1-CG 3.66Å
32	N	94.6	Very high	83.5	Confident	77 Å²	77	69.7 Å²	69.7	41%	0.412	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.2	168.4	-61.8	-73.5	0	0	0	108.9	R649 W650	N32-R649 CarbonylContact O-C 3.54Å; N32-R649 WeakPolarHBondContact O-CA 3.39Å; N32-R649 VanDerWaalsContact O-CB 3.28Å; N32-R649 WeakPolarHBondContact O-CB 3.28Å; N32-W650 HydrophobicContact CB-CD2 3.59Å; N32-W650 HydrophobicContact CB-CE3 3.87Å; N32-W650 HydrophobicContact CB-CG 4.23Å; N32-W650 HydrophobicContact CB-CH2 3.65Å; N32-W650 HydrophobicContact CB-CZ2 3.35Å; N32-W650 HydrophobicContact CB-CZ3 3.87Å; N32-W650 PolarHBondContact N-O 3.31Å; N32-W650 VanDerWaalsContact O-CE3 3.24Å; N32-W650 PolarHBondContact O-N 3.09Å
33	Y	94.3	Very high	85.6	Confident	100 Å²	100	65 Å²	65	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.8	-178.4	-71.8	-93.9	0	0	0	111.3	T27 Y31 F647 R649	T27-Y33 HydrophobicContact CG2-CE2 4.49Å; Y31-Y33 HydrophobicContact CG-CE2 4.44Å; Y33-F647 HydrophobicContact CD1-CB 4.15Å; Y33-F647 HydrophobicContact CE1-CB 4.16Å; Y33-F647 HydrophobicContact CE1-CD2 4.09Å; Y33-F647 HydrophobicContact CE1-CG 4.11Å; Y33-R649 HydrophobicContact CD1-CB 3.86Å; Y33-R649 HydrophobicContact CE1-CB 4.01Å; Y33-R649 HydrophobicContact CE1-CG 4.41Å; Y33-R649 HydrophobicContact CG-CB 4.24Å; Y33-R649 PolarHBondContact OH-NH1 2.82Å
34	V	94	Very high	87.6	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.036	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-85	126.9	167.8	-171.9	0	0	0	0	108.6	T39 V173 I180 M184 L648 W650	V34-T39 HydrophobicContact CB-CG2 3.93Å; V34-T39 HydrophobicContact CG1-CG2 3.42Å; V34-T39 VanDerWaalsContact CG1-CG2 3.42Å; V34-V173 HydrophobicContact CG1-CG1 4.31Å; V34-I180 HydrophobicContact CG1-CD1 3.96Å; V34-I180 HydrophobicContact CG1-CG2 4.22Å; V34-I180 HydrophobicContact CG2-CG2 3.92Å; V34-M184 HydrophobicContact CG2-CE 4.32Å; V34-L648 HydrophobicContact CB-CB 4.29Å; V34-L648 HydrophobicContact CB-CD2 4.06Å; V34-L648 HydrophobicContact CB-CG 4.17Å; V34-L648 HydrophobicContact CG2-CB 4.4Å; V34-L648 HydrophobicContact CG2-CD2 3.7Å; V34-L648 HydrophobicContact CG2-CG 3.77Å; V34-L648 PolarHBondContact N-O 3.46Å; V34-W650 HydrophobicContact CG2-CE3 4.07Å; V34-W650 HydrophobicContact CG2-CZ3 3.57Å
35	P	90.5	Very high	89.3	Confident	64 Å²	64	60.2 Å²	60.2	42%	0.416	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-62.1	140.4	179.1	-19.4	29.7	0	0	0	112.4	S37 Y38	P35-S37 PolarHBondContact O-N 3.19Å; P35-S37 VanDerWaalsContact O-N 3.13Å; P35-Y38 HydrophobicContact CB-CD2 3.96Å; P35-Y38 HydrophobicContact CB-CE2 4.46Å; P35-Y38 HydrophobicContact CG-CD2 4.05Å; P35-Y38 HydrophobicContact CG-CE2 4.37Å; P35-Y38 PolarHBondContact O-N 3.33Å
36	L	87.6	Confident	90.4	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.366	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25	-178.6	-67.5	177.3	0	0	0	113.8	Y38 T39 F41 R289	L36-Y38 PolarHBondContact O-N 3.1Å; L36-T39 WeakPolarHBondContact CA-OG1 3.25Å; L36-T39 PolarHBondContact O-N 3.21Å; L36-T39 PolarHBondContact O-OG1 3.18Å; L36-F41 HydrophobicContact CD2-CE2 3.74Å; L36-F41 HydrophobicContact CD2-CZ 4.26Å; L36-R289 PolarHBondContact O-NH2 3.37Å
37	S	83	Confident	91	Very high	77 Å²	77	50 Å²	50	54%	0.538	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-59.9	-31.6	175.3	57.5	0	0	0	0	113.1	P35	P35-S37 PolarHBondContact O-N 3.19Å; P35-S37 VanDerWaalsContact O-N 3.13Å
38	Y	88.2	Confident	91.4	Very high	75 Å²	75	49 Å²	49	29%	0.294	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-97.4	-3.3	-178.4	-62.8	-75.1	0	0	0	113.3	P35 L36 V173 T174 I180	P35-Y38 HydrophobicContact CB-CD2 3.96Å; P35-Y38 HydrophobicContact CB-CE2 4.46Å; P35-Y38 HydrophobicContact CG-CD2 4.05Å; P35-Y38 HydrophobicContact CG-CE2 4.37Å; P35-Y38 PolarHBondContact O-N 3.33Å; L36-Y38 PolarHBondContact O-N 3.1Å; Y38-V173 WeakPolarHBondContact O-CA 3.42Å; Y38-T174 WeakPolarHBondContact CD1-O 3.47Å; Y38-T174 PolarHBondContact O-N 3.17Å; Y38-T174 PolarHBondContact O-OG1 3.46Å; Y38-I180 HydrophobicContact CD2-CD1 4.29Å; Y38-I180 HydrophobicContact CG-CD1 4.22Å
39	T	91.1	Very high	91.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.8	-174.7	56.9	0	0	0	0	111.9	V34 L36 F41 V171 L172 V173 R289 L648	V34-T39 HydrophobicContact CB-CG2 3.93Å; V34-T39 HydrophobicContact CG1-CG2 3.42Å; V34-T39 VanDerWaalsContact CG1-CG2 3.42Å; L36-T39 WeakPolarHBondContact CA-OG1 3.25Å; L36-T39 PolarHBondContact O-N 3.21Å; L36-T39 PolarHBondContact O-OG1 3.18Å; T39-F41 WeakPolarHBondContact OG1-CE2 3.29Å; T39-V171 HydrophobicContact CG2-CG1 4.38Å; T39-L172 WeakPolarHBondContact CA-O 3.09Å; T39-V173 HydrophobicContact CG2-CG2 4.32Å; T39-R289 PolarHBondContact O-NH2 2.94Å; T39-L648 HydrophobicContact CG2-CD2 4.13Å
40	S	92.3	Very high	92.4	Very high	9 Å²	9	42 Å²	42	6%	0.063	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.5	171.9	-73.4	0	0	0	0	109.1	L172 F287 E288 S290	S40-L172 PolarHBondContact N-O 3.12Å; S40-L172 PolarHBondContact O-N 2.9Å; S40-F287 WeakPolarHBondContact O-CD1 3.33Å; S40-E288 WeakPolarHBondContact CB-O 3.47Å; S40-E288 PolarHBondContact OG-O 3.02Å; S40-S290 PolarHBondContact OG-OG 3.21Å
41	F	94.7	Very high	92.7	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	146.4	-179.4	-67.5	-95.2	0	0	0	110.6	L36 T39 T43 V171 I205 N207 E288 R646 L648	L36-F41 HydrophobicContact CD2-CE2 3.74Å; L36-F41 HydrophobicContact CD2-CZ 4.26Å; T39-F41 WeakPolarHBondContact OG1-CE2 3.29Å; F41-T43 HydrophobicContact CB-CG2 4.41Å; F41-V171 HydrophobicContact CD1-CG1 4.37Å; F41-V171 HydrophobicContact CD1-CG2 3.43Å; F41-V171 VanDerWaalsContact CD1-CG2 3.43Å; F41-V171 HydrophobicContact CE1-CG1 4.36Å; F41-V171 HydrophobicContact CE1-CG2 3.63Å; F41-V171 HydrophobicContact CG-CG2 4.26Å; F41-I205 HydrophobicContact CD1-CG2 4.44Å; F41-I205 HydrophobicContact CE1-CG2 4.06Å; F41-N207 HydrophobicContact CD1-CB 3.76Å; F41-N207 HydrophobicContact CE1-CB 4.28Å; F41-N207 HydrophobicContact CG-CB 4.45Å; F41-E288 WeakPolarHBondContact O-CG 3.48Å; F41-E288 PolarHBondContact O-N 2.98Å; F41-R646 HydrophobicContact CE2-CB 4.23Å; F41-R646 HydrophobicContact CZ-CB 4.24Å; F41-L648 HydrophobicContact CZ-CB 4.48Å
42	C	95.9	Very high	92.8	Very high	1 Å²	1	38 Å²	38	1%	0.007	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-79.5	122.9	160.7	170.3	0	0	0	0	109.6	G53 C54 V170 N207 I286	C42-G53 VanDerWaalsContact SG-C 3.59Å; C42-C54 HydrophobicContact CB-CB 3.64Å; C42-C54 WeakPolarHBondContact CB-SG 3.47Å; C42-C54 WeakPolarHBondContact O-CB 3.27Å; C42-C54 WeakPolarHBondContact SG-CB 3.48Å; C42-C54 PolarHBondContact SG-N 2.83Å; C42-C54 CovalentContact SG-SG 2.03Å; C42-C54 PolarHBondContact SG-SG 2.71Å; C42-V170 HydrophobicContact CB-CB 4.04Å; C42-V170 VanDerWaalsContact CB-O 3.27Å; C42-V170 WeakPolarHBondContact CB-O 3.43Å; C42-V170 PolarHBondContact N-O 3.05Å; C42-N207 PolarHBondContact O-ND2 3.34Å; C42-I286 WeakPolarHBondContact CA-O 3.2Å; C42-I286 HydrophobicContact CB-CD1 4.48Å; C42-I286 HydrophobicContact CB-CG1 4.12Å; C42-I286 VanDerWaalsContact SG-CG1 3.53Å
43	T	93.9	Very high	92.9	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.037	19%	0.191	C	C	.	.			trans	-115.4	155.2	-178.4	56.8	0	0	0	0	112.3	F41 C54 M209 E288 L561	F41-T43 HydrophobicContact CB-CG2 4.41Å; T43-C54 CarbonylContact C-O 3.58Å; T43-M209 HydrophobicContact CG2-CE 4.15Å; T43-M209 HydrophobicContact CG2-SD 4.08Å; T43-E288 WeakPolarHBondContact CB-OE1 3.4Å; T43-E288 HydrophobicContact CG2-CG 3.92Å; T43-E288 WeakPolarHBondContact CG2-OE1 3.37Å; T43-E288 VanDerWaalsContact OG1-CD 3.32Å; T43-E288 WeakPolarHBondContact OG1-CG 3.4Å; T43-E288 PolarHBondContact OG1-OE1 3.39Å; T43-L561 HydrophobicContact CG2-CD1 4.48Å
44	R	95.2	Very high	93	Very high	28 Å²	28	29.9 Å²	29.9	11%	0.106	17%	0.172	C	C	.	.			trans	-77.9	129.5	-177.4	-176.9	171	-73.1	143	1.8	110.7	L46 Q51 V52 C54 S55 M209 A211 S640	R44-L46 HydrophobicContact CG-CD2 4.26Å; R44-Q51 HydrophobicContact CG-CB 4.35Å; R44-V52 WeakPolarHBondContact CA-O 3.41Å; R44-C54 PolarHBondContact N-O 3.46Å; R44-C54 VanDerWaalsContact N-O 3.12Å; R44-S55 VanDerWaalsContact NH2-CB 3.28Å; R44-M209 HydrophobicContact CB-CB 3.87Å; R44-M209 HydrophobicContact CB-CG 3.82Å; R44-A211 WeakPolarHBondContact CD-O 3.2Å; R44-A211 PolarHBondContact NH1-O 3.18Å; R44-S640 WeakPolarHBondContact O-CB 3.36Å; R44-S640 PolarHBondContact O-N 2.88Å
45	K	95	Very high	93.1	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.065	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	154.2	169.1	-66	172.1	-174.2	160.7	0	109.2	Q51 V52 Y336 W637 M638	K45-Q51 CarbonylContact O-C 3.51Å; K45-Q51 WeakPolarHBondContact O-CA 3.02Å; K45-V52 HydrophobicContact CB-CG2 3.93Å; K45-V52 PolarHBondContact N-O 2.9Å; K45-V52 PolarHBondContact O-N 3.06Å; K45-Y336 HydrophobicContact CD-CE1 3.87Å; K45-Y336 PolarHBondContact NZ-OH 3.03Å; K45-W637 HydrophobicContact CB-CE3 4.2Å; K45-W637 HydrophobicContact CB-CZ3 4.19Å; K45-M638 CarbonylContact C-O 3.5Å; K45-M638 WeakPolarHBondContact CA-O 3.32Å
46	L	95.5	Very high	93.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.9	-178.3	-53.4	176.4	0	0	0	108.1	R44 Q51 A211 S215 C218 C237 W637 M638	R44-L46 HydrophobicContact CG-CD2 4.26Å; L46-Q51 HydrophobicContact CD2-CB 3.46Å; L46-Q51 VanDerWaalsContact CD2-CB 3.46Å; L46-A211 HydrophobicContact CD1-CB 3.69Å; L46-A211 HydrophobicContact CG-CB 4.44Å; L46-S215 VanDerWaalsContact C-OG 3.31Å; L46-S215 WeakPolarHBondContact CB-OG 3.41Å; L46-S215 PolarHBondContact O-OG 2.9Å; L46-C218 HydrophobicContact CD1-CB 3.52Å; L46-C237 HydrophobicContact CD1-CB 4.36Å; L46-W637 CarbonylContact O-C 3.46Å; L46-W637 VanDerWaalsContact O-CA 3.25Å; L46-W637 WeakPolarHBondContact O-CA 3.32Å; L46-W637 VanDerWaalsContact O-CE3 3.22Å; L46-M638 HydrophobicContact CB-CB 4.39Å; L46-M638 PolarHBondContact N-O 3.4Å; L46-M638 PolarHBondContact O-N 2.91Å
47	N	94	Very high	93.8	Very high	19 Å²	19	28.9 Å²	28.9	10%	0.102	17%	0.165	C	C	.	.			trans	-109.8	-177.7	161.4	72.4	23.6	0	0	0	108.7	T49 A50 S215 A636 W637	N47-T49 PolarHBondContact O-N 3.09Å; N47-T49 PolarHBondContact OD1-N 2.58Å; N47-T49 PolarHBondContact OD1-OG1 3.04Å; N47-A50 PolarHBondContact N-O 3.39Å; N47-A50 WeakPolarHBondContact OD1-CA 3.2Å; N47-A50 PolarHBondContact OD1-N 3.31Å; N47-A50 PolarHBondContact OD1-O 2.86Å; N47-S215 VanDerWaalsContact C-OG 3.27Å; N47-S215 WeakPolarHBondContact O-CB 3.47Å; N47-S215 PolarHBondContact O-N 3.22Å; N47-S215 PolarHBondContact O-OG 3.44Å; N47-S215 VanDerWaalsContact O-OG 3.14Å; N47-A636 CarbonylContact C-O 3.56Å; N47-W637 HydrophobicContact CB-CD2 3.83Å; N47-W637 HydrophobicContact CB-CE3 4.01Å; N47-W637 HydrophobicContact CB-CG 4.49Å; N47-W637 HydrophobicContact CB-CH2 3.79Å; N47-W637 HydrophobicContact CB-CZ2 3.63Å; N47-W637 HydrophobicContact CB-CZ3 3.99Å
48	L	92.6	Very high	94.2	Very high	35 Å²	35	30.8 Å²	30.8	18%	0.183	17%	0.168	C	C	.	.	S	Bend	trans	-55.4	-31.8	-175.3	-169.7	67	0	0	0	113.8	S214 L632 A634 A636	L48-S214 VanDerWaalsContact O-CB 3.27Å; L48-S214 WeakPolarHBondContact O-CB 3.32Å; L48-S214 PolarHBondContact O-OG 3.33Å; L48-L632 HydrophobicContact CD1-CB 3.98Å; L48-A634 HydrophobicContact CD2-CB 3.76Å; L48-A636 HydrophobicContact CD1-CB 4.08Å
49	T	91.3	Very high	94.4	Very high	116 Å²	116	36.1 Å²	36.1	71%	0.712	19%	0.193	S	C	*	.	S	Bend	trans	-113.8	-21.8	-171.5	58.4	0	0	0	0	114.7	N47	N47-T49 PolarHBondContact O-N 3.09Å; N47-T49 PolarHBondContact OD1-N 2.58Å; N47-T49 PolarHBondContact OD1-OG1 3.04Å
50	A	94	Very high	94.6	Very high	42 Å²	42	36.6 Å²	36.6	35%	0.347	20%	0.198	S	C	.	.			trans	-150.4	177.5	-167.6	0	0	0	0	0	112.7	N47 G213	N47-A50 PolarHBondContact N-O 3.39Å; N47-A50 WeakPolarHBondContact OD1-CA 3.2Å; N47-A50 PolarHBondContact OD1-N 3.31Å; N47-A50 PolarHBondContact OD1-O 2.86Å; A50-G213 CarbonylContact C-O 3.52Å
51	Q	95.6	Very high	94.8	Very high	46 Å²	46	36.6 Å²	36.6	22%	0.215	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.5	173.9	57.4	175.5	57.1	0	0	110.6	R44 K45 L46 S165 G213	R44-Q51 HydrophobicContact CG-CB 4.35Å; K45-Q51 CarbonylContact O-C 3.51Å; K45-Q51 WeakPolarHBondContact O-CA 3.02Å; L46-Q51 HydrophobicContact CD2-CB 3.46Å; L46-Q51 VanDerWaalsContact CD2-CB 3.46Å; Q51-S165 PolarHBondContact NE2-OG 3.35Å; Q51-G213 VanDerWaalsContact CB-O 3.27Å; Q51-G213 WeakPolarHBondContact CB-O 3.43Å; Q51-G213 PolarHBondContact N-O 2.98Å; Q51-G213 VanDerWaalsContact N-O 3.09Å
52	V	95.8	Very high	94.8	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	168.1	176	-52	0	0	0	0	110	R44 K45 Y163 W637	R44-V52 WeakPolarHBondContact CA-O 3.41Å; K45-V52 HydrophobicContact CB-CG2 3.93Å; K45-V52 PolarHBondContact N-O 2.9Å; K45-V52 PolarHBondContact O-N 3.06Å; V52-Y163 VanDerWaalsContact CG1-O 3.23Å; V52-Y163 WeakPolarHBondContact CG1-O 3.47Å; V52-W637 HydrophobicContact CG1-CH2 4.33Å; V52-W637 HydrophobicContact CG2-CH2 4.14Å; V52-W637 HydrophobicContact CG2-CZ3 3.68Å
53	G	95.8	Very high	94.8	Very high	5 Å²	5	38.9 Å²	38.9	5%	0.052	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	82.7	-153.3	-178.8	0	0	0	0	0	112.6	C42 I164 W166	C42-G53 VanDerWaalsContact SG-C 3.59Å; G53-I164 PolarHBondContact N-O 3.11Å; G53-W166 PolarHBondContact O-N 3.18Å
54	C	96.3	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.			trans	-133.3	160.2	-164.9	-38.9	0	0	0	0	112.3	C42 T43 R44 W166 M209	C42-C54 HydrophobicContact CB-CB 3.64Å; C42-C54 WeakPolarHBondContact CB-SG 3.47Å; C42-C54 WeakPolarHBondContact O-CB 3.27Å; C42-C54 WeakPolarHBondContact SG-CB 3.48Å; C42-C54 PolarHBondContact SG-N 2.83Å; C42-C54 CovalentContact SG-SG 2.03Å; C42-C54 PolarHBondContact SG-SG 2.71Å; T43-C54 CarbonylContact C-O 3.58Å; R44-C54 PolarHBondContact N-O 3.46Å; R44-C54 VanDerWaalsContact N-O 3.12Å; C54-W166 HydrophobicContact CB-CB 4.29Å; C54-M209 WeakPolarHBondContact O-CG 3.29Å
55	S	96.3	Very high	94.8	Very high	14 Å²	14	38 Å²	38	10%	0.098	21%	0.211	C	C	.	.			trans	-154.6	145.3	172.6	-177.8	0	0	0	0	108.2	R44 M209	R44-S55 VanDerWaalsContact NH2-CB 3.28Å; S55-M209 WeakPolarHBondContact OG-CB 3.39Å; S55-M209 PolarHBondContact OG-N 2.92Å
56	S	97	Very high	94.8	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-80.5	168.9	159.2	74.7	0	0	0	0	110.8	N61 N207 P208	S56-N61 VanDerWaalsContact CA-OD1 3.31Å; S56-N61 WeakPolarHBondContact CA-OD1 3.43Å; S56-N61 VanDerWaalsContact CB-OD1 3.31Å; S56-N61 WeakPolarHBondContact CB-OD1 3.27Å; S56-N207 PolarHBondContact N-O 3.01Å; S56-N207 PolarHBondContact N-OD1 2.91Å; S56-N207 PolarHBondContact OG-N 3.06Å; S56-P208 WeakPolarHBondContact OG-CA 3.22Å; S56-P208 VanDerWaalsContact OG-CD 3.31Å; S56-P208 WeakPolarHBondContact OG-CD 3.28Å
57	D	95.5	Very high	94.4	Very high	100 Å²	100	37.9 Å²	37.9	54%	0.535	21%	0.211	S	C	.	.			trans	-63.1	158.7	160.1	-65.6	-29.3	0	0	0	109.4	K59 G60 N61	D57-K59 PolarHBondContact O-N 3.14Å; D57-K59 VanDerWaalsContact O-N 3.1Å; D57-G60 WeakPolarHBondContact O-CA 3.45Å; D57-G60 PolarHBondContact O-N 3.29Å; D57-N61 PolarHBondContact N-OD1 3.43Å
58	I	92.7	Very high	93.7	Very high	116 Å²	116	39.1 Å²	39.1	60%	0.595	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.4	-176.4	-68.9	169.7	0	0	0	112.6
59	K	92.2	Very high	92.9	Very high	187 Å²	187	44.6 Å²	44.6	81%	0.813	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	10.3	179.6	-62.8	-173.9	177.9	-176.9	0	113.5	D57	D57-K59 PolarHBondContact O-N 3.14Å; D57-K59 VanDerWaalsContact O-N 3.1Å
60	G	94.2	Very high	92.4	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	23%	0.225	C	C	.	.			trans	78.1	165	-169.9	0	0	0	0	0	112.7	D57 N206	D57-G60 WeakPolarHBondContact O-CA 3.45Å; D57-G60 PolarHBondContact O-N 3.29Å; G60-N206 WeakPolarHBondContact CA-OD1 2.91Å; G60-N206 PolarHBondContact N-OD1 3.15Å; G60-N206 VanDerWaalsContact N-OD1 3.08Å
61	N	97.1	Very high	92	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.3	175.1	-74.8	51.1	0	0	0	109.2	S56 D57 K111 P169 E204 I205	S56-N61 VanDerWaalsContact CA-OD1 3.31Å; S56-N61 WeakPolarHBondContact CA-OD1 3.43Å; S56-N61 VanDerWaalsContact CB-OD1 3.31Å; S56-N61 WeakPolarHBondContact CB-OD1 3.27Å; D57-N61 PolarHBondContact N-OD1 3.43Å; N61-K111 HydrophobicContact CB-CB 4.3Å; N61-K111 WeakPolarHBondContact CB-O 3.32Å; N61-K111 PolarHBondContact ND2-O 3.05Å; N61-P169 HydrophobicContact CB-CG 3.91Å; N61-E204 WeakPolarHBondContact O-CA 3.3Å; N61-I205 PolarHBondContact N-O 2.84Å; N61-I205 PolarHBondContact O-N 2.92Å
62	S	96	Very high	91.6	Very high	51 Å²	51	44.1 Å²	44.1	36%	0.357	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.1	174.7	63.2	0	0	0	0	112.1	I203	S62-I203 VanDerWaalsContact CA-O 3.32Å; S62-I203 WeakPolarHBondContact CA-O 3.28Å
63	G	94.9	Very high	91.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	164	176.2	0	0	0	0	0	112.3	A65 P85 F202 I203	G63-A65 PolarHBondContact O-N 3.14Å; G63-P85 CarbonylContact C-O 3.5Å; G63-P85 VanDerWaalsContact CA-O 3.26Å; G63-P85 WeakPolarHBondContact CA-O 3.44Å; G63-F202 VanDerWaalsContact C-CD1 3.49Å; G63-F202 WeakPolarHBondContact O-CA 3.3Å; G63-I203 PolarHBondContact N-O 3.03Å; G63-I203 PolarHBondContact O-N 2.91Å
64	V	94.4	Very high	90.5	Very high	15 Å²	15	47.4 Å²	47.4	9%	0.091	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	131.6	176	178.9	0	0	0	0	108.8	L66 T84 P85 F86 V87 N192 R200 F202	V64-L66 PolarHBondContact O-N 3.23Å; V64-T84 HydrophobicContact CB-CG2 4.14Å; V64-T84 HydrophobicContact CG2-CG2 3.59Å; V64-P85 PolarHBondContact N-O 3.39Å; V64-F86 HydrophobicContact CB-CD1 3.96Å; V64-F86 HydrophobicContact CB-CE1 4.07Å; V64-F86 HydrophobicContact CG1-CD1 4.33Å; V64-F86 HydrophobicContact CG1-CE1 4.15Å; V64-F86 WeakPolarHBondContact O-CA 3.45Å; V64-F86 WeakPolarHBondContact O-CD1 3.48Å; V64-V87 PolarHBondContact O-N 2.81Å; V64-N192 WeakPolarHBondContact CG1-ND2 3.43Å; V64-R200 HydrophobicContact CG1-CB 4.31Å; V64-R200 HydrophobicContact CG2-CB 4.46Å; V64-F202 HydrophobicContact CG2-CD1 4.29Å; V64-F202 HydrophobicContact CG2-CE1 3.69Å; V64-F202 HydrophobicContact CG2-CE2 4.32Å; V64-F202 HydrophobicContact CG2-CZ 3.71Å
65	A	95.2	Very high	90.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.8	178.2	0	0	0	0	0	111.1	G63 F67 F188 N192 C201 I203	G63-A65 PolarHBondContact O-N 3.14Å; A65-F67 HydrophobicContact CB-CD2 4.36Å; A65-F67 HydrophobicContact CB-CE2 4.15Å; A65-F188 HydrophobicContact CB-CD2 4.28Å; A65-F188 VanDerWaalsContact O-CD2 3.24Å; A65-F188 WeakPolarHBondContact O-CD2 3.5Å; A65-F188 WeakPolarHBondContact O-CE2 3.47Å; A65-N192 PolarHBondContact O-ND2 2.95Å; A65-C201 HydrophobicContact CB-CB 4.31Å; A65-C201 WeakPolarHBondContact CB-O 3.25Å; A65-C201 PolarHBondContact N-O 3.27Å; A65-I203 HydrophobicContact CB-CD1 3.5Å; A65-I203 HydrophobicContact CB-CG1 3.9Å
66	L	93.7	Very high	89.8	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	104.1	176.1	-173.6	63.2	0	0	0	110.5	V64 M68 I74 T77 L78 F86 V87 V88 V89	V64-L66 PolarHBondContact O-N 3.23Å; L66-M68 HydrophobicContact CD1-CE 3.42Å; L66-M68 VanDerWaalsContact CD1-CE 3.42Å; L66-M68 HydrophobicContact CD1-CG 4.2Å; L66-M68 HydrophobicContact CD1-SD 3.92Å; L66-M68 HydrophobicContact CG-SD 4.47Å; L66-I74 HydrophobicContact CD2-CG2 3.9Å; L66-T77 HydrophobicContact CD1-CG2 3.96Å; L66-L78 HydrophobicContact CD2-CD2 4.16Å; L66-L78 HydrophobicContact CD2-CG 4.2Å; L66-F86 HydrophobicContact CB-CD1 4.17Å; L66-F86 HydrophobicContact CD2-CD1 4.46Å; L66-V87 PolarHBondContact N-O 3.41Å; L66-V88 HydrophobicContact CD2-CG2 4.35Å; L66-V89 PolarHBondContact O-N 3.46Å
67	F	88.6	Confident	89.3	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.035	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122	172.9	-72	-103.4	0	0	0	109.6	A65 V89 W181 M184 H185 F188 I203	A65-F67 HydrophobicContact CB-CD2 4.36Å; A65-F67 HydrophobicContact CB-CE2 4.15Å; F67-V89 HydrophobicContact CD1-CB 3.97Å; F67-V89 HydrophobicContact CD1-CG1 4Å; F67-V89 HydrophobicContact CD2-CB 4.35Å; F67-V89 HydrophobicContact CD2-CG2 4.19Å; F67-V89 HydrophobicContact CE1-CB 3.82Å; F67-V89 HydrophobicContact CE1-CG1 3.52Å; F67-V89 HydrophobicContact CE1-CG2 4.12Å; F67-V89 HydrophobicContact CE2-CB 4.21Å; F67-V89 HydrophobicContact CE2-CG2 3.73Å; F67-V89 HydrophobicContact CG-CB 4.24Å; F67-V89 HydrophobicContact CZ-CB 3.94Å; F67-V89 HydrophobicContact CZ-CG1 3.87Å; F67-V89 HydrophobicContact CZ-CG2 3.69Å; F67-W181 AromaticContact CD1-CH2 3.68Å; F67-W181 HydrophobicContact CD1-CH2 3.68Å; F67-W181 HydrophobicContact CD1-CZ2 4.07Å; F67-W181 AromaticContact CD1-CZ3 3.97Å; F67-W181 HydrophobicContact CD1-CZ3 3.97Å; F67-W181 HydrophobicContact CE1-CD2 4.44Å; F67-W181 AromaticContact CE1-CE3 3.99Å; F67-W181 HydrophobicContact CE1-CE3 3.99Å; F67-W181 AromaticContact CE1-CH2 3.91Å; F67-W181 HydrophobicContact CE1-CH2 3.91Å; F67-W181 HydrophobicContact CE1-CZ2 4.33Å; F67-W181 AromaticContact CE1-CZ3 3.72Å; F67-W181 HydrophobicContact CE1-CZ3 3.72Å; F67-M184 HydrophobicContact CE2-CG 3.98Å; F67-M184 HydrophobicContact CE2-SD 4.34Å; F67-M184 HydrophobicContact CZ-CB 3.95Å; F67-M184 HydrophobicContact CZ-CG 3.59Å; F67-M184 HydrophobicContact CZ-SD 3.76Å; F67-H185 HydrophobicContact CD1-CB 4.46Å; F67-H185 AromaticContact CD1-CD2 3.84Å; F67-H185 HydrophobicContact CE1-CB 4.29Å; F67-F188 HydrophobicContact CB-CD1 3.68Å; F67-F188 HydrophobicContact CB-CD2 4.35Å; F67-F188 HydrophobicContact CB-CE1 3.74Å; F67-F188 HydrophobicContact CB-CE2 4.4Å; F67-F188 HydrophobicContact CB-CG 3.99Å; F67-F188 HydrophobicContact CB-CZ 4.11Å; F67-F188 HydrophobicContact CD2-CB 3.52Å; F67-F188 HydrophobicContact CD2-CD1 4.04Å; F67-F188 AromaticContact CD2-CD2 3.84Å; F67-F188 HydrophobicContact CD2-CD2 3.84Å; F67-F188 AromaticContact CD2-CG 3.51Å; F67-F188 HydrophobicContact CD2-CG 3.51Å; F67-F188 HydrophobicContact CE2-CB 3.89Å; F67-F188 HydrophobicContact CE2-CG 4.37Å; F67-F188 HydrophobicContact CG-CB 4.35Å; F67-F188 HydrophobicContact CG-CD1 4.15Å; F67-F188 HydrophobicContact CG-CG 4.1Å; F67-F188 WeakPolarHBondContact O-CE1 3.48Å; F67-F188 VanDerWaalsContact O-CZ 3.25Å; F67-F188 WeakPolarHBondContact O-CZ 3.39Å; F67-I203 HydrophobicContact CE2-CD1 4.37Å
68	M	79.3	Confident	89	Confident	44 Å²	44	51 Å²	51	22%	0.217	27%	0.271	C	S	.	.			trans	-148.3	138.7	173.1	-59.9	179.7	164.9	0	0	111.2	L66 D73 I74 T77 Q94	L66-M68 HydrophobicContact CD1-CE 3.42Å; L66-M68 VanDerWaalsContact CD1-CE 3.42Å; L66-M68 HydrophobicContact CD1-CG 4.2Å; L66-M68 HydrophobicContact CD1-SD 3.92Å; L66-M68 HydrophobicContact CG-SD 4.47Å; M68-D73 HydrophobicContact CB-CB 4.22Å; M68-D73 HydrophobicContact CG-CB 4.35Å; M68-D73 HydrophobicContact SD-CB 3.56Å; M68-D73 VanDerWaalsContact SD-CB 3.56Å; M68-I74 HydrophobicContact CB-CD1 4.34Å; M68-I74 HydrophobicContact CB-CG1 3.6Å; M68-I74 HydrophobicContact CG-CG1 4.16Å; M68-I74 HydrophobicContact SD-CB 4.48Å; M68-I74 HydrophobicContact SD-CG1 4.1Å; M68-I74 PolarHBondContact SD-N 3.45Å; M68-T77 HydrophobicContact CE-CG2 4.22Å; M68-T77 WeakPolarHBondContact CE-OG1 3.08Å; M68-Q94 PolarHBondContact O-NE2 3.31Å
69	N	75.5	Confident	88.8	Confident	150 Å²	150	53.1 Å²	53.1	80%	0.802	27%	0.272	S	S	*	.	S	Bend	trans	-71.7	-38.4	179.8	-65.8	-9.7	0	0	0	111.4	Q94	N69-Q94 PolarHBondContact O-NE2 2.69Å
70	G	81.5	Confident	88.6	Confident	25 Å²	25	48.7 Å²	48.7	26%	0.258	26%	0.264	S	S	.	.	S	Bend	trans	-89.7	128.2	179.5	0	0	0	0	0	112.3	Q72 D73 I74	G70-Q72 PolarHBondContact O-N 3.33Å; G70-D73 PolarHBondContact O-N 2.81Å; G70-I74 PolarHBondContact O-N 3.35Å
71	S	84.7	Confident	88	Confident	46 Å²	46	50.6 Å²	50.6	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-58.1	-31.2	172.5	53.8	0	0	0	0	112.7	I75	S71-I75 WeakPolarHBondContact O-CG1 3.41Å; S71-I75 PolarHBondContact O-N 2.82Å
72	Q	86.9	Confident	87.3	Confident	123 Å²	123	55.6 Å²	55.6	58%	0.575	30%	0.298	S	S	*	.	H	α-helix	trans	-72.2	-35.5	-179.7	-163.9	68.1	-14.2	0	0	113	G70 I74 I75 Q76	G70-Q72 PolarHBondContact O-N 3.33Å; Q72-I74 VanDerWaalsContact C-N 3.32Å; Q72-I75 PolarHBondContact O-N 2.67Å; Q72-Q76 WeakPolarHBondContact O-CB 3.48Å; Q72-Q76 PolarHBondContact O-N 2.97Å
73	D	85.3	Confident	86.8	Confident	83 Å²	83	61.1 Å²	61.1	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-42.6	177.2	-57.4	-30.8	0	0	0	109.6	M68 G70 I75 Q76 T77	M68-D73 HydrophobicContact CB-CB 4.22Å; M68-D73 HydrophobicContact CG-CB 4.35Å; M68-D73 HydrophobicContact SD-CB 3.56Å; M68-D73 VanDerWaalsContact SD-CB 3.56Å; G70-D73 PolarHBondContact O-N 2.81Å; D73-I75 VanDerWaalsContact C-N 3.33Å; D73-I75 PolarHBondContact O-N 2.82Å; D73-Q76 PolarHBondContact O-N 3.09Å; D73-T77 PolarHBondContact O-N 2.9Å; D73-T77 PolarHBondContact O-OG1 3.27Å
74	I	84	Confident	86.5	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-56.7	-49.7	175.7	-58	175	0	0	0	110	L66 M68 G70 Q72 Q76 T77 L78 V88 V90 F104	L66-I74 HydrophobicContact CD2-CG2 3.9Å; M68-I74 HydrophobicContact CB-CD1 4.34Å; M68-I74 HydrophobicContact CB-CG1 3.6Å; M68-I74 HydrophobicContact CG-CG1 4.16Å; M68-I74 HydrophobicContact SD-CB 4.48Å; M68-I74 HydrophobicContact SD-CG1 4.1Å; M68-I74 PolarHBondContact SD-N 3.45Å; G70-I74 PolarHBondContact O-N 3.35Å; Q72-I74 VanDerWaalsContact C-N 3.32Å; I74-Q76 VanDerWaalsContact C-N 3.31Å; I74-Q76 PolarHBondContact O-N 2.98Å; I74-T77 PolarHBondContact O-N 3.43Å; I74-L78 HydrophobicContact CG2-CD1 3.77Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 VanDerWaalsContact O-CG 3.24Å; I74-L78 WeakPolarHBondContact O-CG 3.06Å; I74-L78 PolarHBondContact O-N 2.85Å; I74-V88 HydrophobicContact CD1-CG1 4.35Å; I74-V88 HydrophobicContact CG2-CG1 4Å; I74-V90 HydrophobicContact CD1-CG1 4.46Å; I74-F104 HydrophobicContact CB-CZ 4.45Å; I74-F104 HydrophobicContact CD1-CZ 4.38Å; I74-F104 HydrophobicContact CG2-CE1 3.7Å; I74-F104 HydrophobicContact CG2-CZ 3.62Å
75	I	88.5	Confident	86.5	Confident	24 Å²	24	64.6 Å²	64.6	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-60.4	-43.3	-179.8	-67.9	168.2	0	0	0	110.8	S71 Q72 D73 R79 L100 Y103	S71-I75 WeakPolarHBondContact O-CG1 3.41Å; S71-I75 PolarHBondContact O-N 2.82Å; Q72-I75 PolarHBondContact O-N 2.67Å; D73-I75 VanDerWaalsContact C-N 3.33Å; D73-I75 PolarHBondContact O-N 2.82Å; I75-R79 WeakPolarHBondContact O-CG 3.16Å; I75-R79 PolarHBondContact O-N 2.69Å; I75-R79 VanDerWaalsContact O-N 3.1Å; I75-L100 HydrophobicContact CD1-CD1 3.91Å; I75-L100 HydrophobicContact CG1-CD1 4.03Å; I75-Y103 HydrophobicContact CB-CE1 4.16Å; I75-Y103 HydrophobicContact CD1-CD1 4.48Å; I75-Y103 HydrophobicContact CG1-CD1 3.82Å; I75-Y103 HydrophobicContact CG1-CE1 3.76Å; I75-Y103 HydrophobicContact CG2-CE1 3.97Å; I75-Y103 HydrophobicContact CG2-CE2 4.48Å
76	Q	88.6	Confident	86.5	Confident	134 Å²	134	65.1 Å²	65.1	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-45.8	-179.3	-176.7	172	-8.7	0	0	111.8	Q72 D73 I74 R79 S80	Q72-Q76 WeakPolarHBondContact O-CB 3.48Å; Q72-Q76 PolarHBondContact O-N 2.97Å; D73-Q76 PolarHBondContact O-N 3.09Å; I74-Q76 VanDerWaalsContact C-N 3.31Å; I74-Q76 PolarHBondContact O-N 2.98Å; Q76-R79 PolarHBondContact O-N 3.09Å; Q76-S80 PolarHBondContact O-N 3.43Å
77	T	86.4	Confident	86.7	Confident	37 Å²	37	64.9 Å²	64.9	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-45.1	178.2	-62.2	0	0	0	0	111.5	L66 M68 D73 I74 R79 S80 N81 F86	L66-T77 HydrophobicContact CD1-CG2 3.96Å; M68-T77 HydrophobicContact CE-CG2 4.22Å; M68-T77 WeakPolarHBondContact CE-OG1 3.08Å; D73-T77 PolarHBondContact O-N 2.9Å; D73-T77 PolarHBondContact O-OG1 3.27Å; I74-T77 PolarHBondContact O-N 3.43Å; T77-R79 VanDerWaalsContact C-N 3.27Å; T77-R79 PolarHBondContact O-N 3.01Å; T77-S80 PolarHBondContact O-N 2.8Å; T77-S80 VanDerWaalsContact O-N 3.16Å; T77-S80 PolarHBondContact O-OG 2.91Å; T77-N81 PolarHBondContact O-N 2.68Å; T77-F86 HydrophobicContact CG2-CZ 4.42Å
78	L	88.7	Confident	87	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-34	177.6	-70.3	171.7	0	0	0	112.9	L66 I74 N82 F86 Y103 F104 N109 I110	L66-L78 HydrophobicContact CD2-CD2 4.16Å; L66-L78 HydrophobicContact CD2-CG 4.2Å; I74-L78 HydrophobicContact CG2-CD1 3.77Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.36Å; I74-L78 VanDerWaalsContact O-CG 3.24Å; I74-L78 WeakPolarHBondContact O-CG 3.06Å; I74-L78 PolarHBondContact O-N 2.85Å; L78-N82 PolarHBondContact O-OD1 2.84Å; L78-F86 HydrophobicContact CD2-CB 4.16Å; L78-F86 HydrophobicContact CD2-CD2 3.79Å; L78-F86 HydrophobicContact CD2-CG 4.16Å; L78-Y103 HydrophobicContact CD1-CE1 4.19Å; L78-F104 HydrophobicContact CD1-CD1 4.1Å; L78-F104 HydrophobicContact CD1-CE1 3.9Å; L78-N109 PolarHBondContact O-ND2 3.34Å; L78-I110 HydrophobicContact CD1-CD1 3.85Å; L78-I110 HydrophobicContact CD1-CG1 4.21Å; L78-I110 HydrophobicContact CD2-CG1 3.96Å
79	R	88.8	Confident	87.8	Confident	161 Å²	161	62.5 Å²	62.5	61%	0.608	34%	0.335	S	S	*	.	H	α-helix	trans	-75.4	-34.3	175.7	-72.4	178.5	-177.2	177.2	0.5	113.3	I75 Q76 T77 N81 Y103	I75-R79 WeakPolarHBondContact O-CG 3.16Å; I75-R79 PolarHBondContact O-N 2.69Å; I75-R79 VanDerWaalsContact O-N 3.1Å; Q76-R79 PolarHBondContact O-N 3.09Å; T77-R79 VanDerWaalsContact C-N 3.27Å; T77-R79 PolarHBondContact O-N 3.01Å; R79-N81 VanDerWaalsContact C-N 3.3Å; R79-Y103 VanDerWaalsContact CG-OH 3.24Å; R79-Y103 WeakPolarHBondContact CG-OH 3.34Å; R79-Y103 PolarHBondContact NE-OH 3.22Å
80	S	88.3	Confident	88.6	Confident	94 Å²	94	55.4 Å²	55.4	66%	0.657	30%	0.296	S	S	*	.	H	α-helix	trans	-69.9	-30	-177.8	70.6	0	0	0	0	112.5	Q76 T77	Q76-S80 PolarHBondContact O-N 3.43Å; T77-S80 PolarHBondContact O-N 2.8Å; T77-S80 VanDerWaalsContact O-N 3.16Å; T77-S80 PolarHBondContact O-OG 2.91Å
81	N	82.4	Confident	89.1	Confident	53 Å²	53	56.6 Å²	56.6	28%	0.283	30%	0.297	S	S	.	.			trans	-132.6	88.5	-174.7	-170.9	-8.4	0	0	0	111.8	T77 R79 L83 T84 F86 N109	T77-N81 PolarHBondContact O-N 2.68Å; R79-N81 VanDerWaalsContact C-N 3.3Å; N81-L83 VanDerWaalsContact C-N 3.34Å; N81-L83 PolarHBondContact OD1-N 3.44Å; N81-T84 VanDerWaalsContact ND2-CB 3.35Å; N81-T84 WeakPolarHBondContact ND2-CB 3.45Å; N81-T84 PolarHBondContact ND2-OG1 3.17Å; N81-T84 PolarHBondContact OD1-N 3.08Å; N81-T84 VanDerWaalsContact OD1-N 3.11Å; N81-T84 PolarHBondContact OD1-OG1 2.82Å; N81-F86 HydrophobicContact CB-CE2 4.33Å; N81-F86 HydrophobicContact CB-CZ 4.45Å; N81-N109 PolarHBondContact O-ND2 2.77Å
82	N	81.1	Confident	89.4	Confident	114 Å²	114	54.4 Å²	54.4	61%	0.61	28%	0.282	S	S	*	.	S	Bend	trans	-79.2	-13.4	179.4	-74.9	-5.5	0	0	0	114.1	L78	L78-N82 PolarHBondContact O-OD1 2.84Å
83	L	85.7	Confident	89.6	Confident	167 Å²	167	50.4 Å²	50.4	87%	0.874	27%	0.273	S	S	*	.	S	Bend	trans	-91.4	-31.1	-174.7	-70.1	168.8	0	0	0	112.5	N81	N81-L83 VanDerWaalsContact C-N 3.34Å; N81-L83 PolarHBondContact OD1-N 3.44Å
84	T	89.3	Confident	89.8	Confident	40 Å²	40	47.5 Å²	47.5	25%	0.245	26%	0.257	C	S	.	.	S	Bend	trans	-80.1	127.5	-178.5	-60.8	0	0	0	0	111.1	V64 N81 F86	V64-T84 HydrophobicContact CB-CG2 4.14Å; V64-T84 HydrophobicContact CG2-CG2 3.59Å; N81-T84 VanDerWaalsContact ND2-CB 3.35Å; N81-T84 WeakPolarHBondContact ND2-CB 3.45Å; N81-T84 PolarHBondContact ND2-OG1 3.17Å; N81-T84 PolarHBondContact OD1-N 3.08Å; N81-T84 VanDerWaalsContact OD1-N 3.11Å; N81-T84 PolarHBondContact OD1-OG1 2.82Å; T84-F86 HydrophobicContact CG2-CE1 4.13Å; T84-F86 HydrophobicContact CG2-CE2 4.1Å; T84-F86 HydrophobicContact CG2-CZ 3.84Å; T84-F86 WeakPolarHBondContact O-CD2 3.5Å; T84-F86 WeakPolarHBondContact O-CE2 3.21Å
85	P	94.2	Very high	90.3	Very high	47 Å²	47	47.5 Å²	47.5	31%	0.305	26%	0.257	S	S	.	.			trans	-71.9	132.4	171.3	28.6	-32.1	0	0	0	110.3	G63 V64 N109 K111	G63-P85 CarbonylContact C-O 3.5Å; G63-P85 VanDerWaalsContact CA-O 3.26Å; G63-P85 WeakPolarHBondContact CA-O 3.44Å; V64-P85 PolarHBondContact N-O 3.39Å; P85-N109 CarbonylContact C-O 3.18Å; P85-N109 WeakPolarHBondContact CA-O 3.34Å; P85-K111 HydrophobicContact CB-CB 4.48Å; P85-K111 HydrophobicContact CB-CG 3.48Å; P85-K111 VanDerWaalsContact CB-CG 3.48Å
86	F	95.7	Very high	90.5	Very high	13 Å²	13	47.6 Å²	47.6	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.9	179.1	-69.8	-77.6	0	0	0	112	V64 L66 T77 L78 N81 T84 N109 K111	V64-F86 HydrophobicContact CB-CD1 3.96Å; V64-F86 HydrophobicContact CB-CE1 4.07Å; V64-F86 HydrophobicContact CG1-CD1 4.33Å; V64-F86 HydrophobicContact CG1-CE1 4.15Å; V64-F86 WeakPolarHBondContact O-CA 3.45Å; V64-F86 WeakPolarHBondContact O-CD1 3.48Å; L66-F86 HydrophobicContact CB-CD1 4.17Å; L66-F86 HydrophobicContact CD2-CD1 4.46Å; T77-F86 HydrophobicContact CG2-CZ 4.42Å; L78-F86 HydrophobicContact CD2-CB 4.16Å; L78-F86 HydrophobicContact CD2-CD2 3.79Å; L78-F86 HydrophobicContact CD2-CG 4.16Å; N81-F86 HydrophobicContact CB-CE2 4.33Å; N81-F86 HydrophobicContact CB-CZ 4.45Å; T84-F86 HydrophobicContact CG2-CE1 4.13Å; T84-F86 HydrophobicContact CG2-CE2 4.1Å; T84-F86 HydrophobicContact CG2-CZ 3.84Å; T84-F86 WeakPolarHBondContact O-CD2 3.5Å; T84-F86 WeakPolarHBondContact O-CE2 3.21Å; F86-N109 PolarHBondContact N-O 3.33Å; F86-K111 PolarHBondContact O-N 2.62Å
87	V	96.9	Very high	90.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115	160.6	175.5	0	0	0	0	107.1	V64 L66 G112 I114 I203 I205	V64-V87 PolarHBondContact O-N 2.81Å; L66-V87 PolarHBondContact N-O 3.41Å; V87-G112 WeakPolarHBondContact CA-O 3.25Å; V87-I114 HydrophobicContact CG1-CD1 3.91Å; V87-I114 HydrophobicContact CG1-CG1 4.09Å; V87-I203 HydrophobicContact CB-CB 4.01Å; V87-I203 HydrophobicContact CB-CG2 4.46Å; V87-I203 HydrophobicContact CG1-CB 3.97Å; V87-I203 HydrophobicContact CG1-CD1 4.31Å; V87-I203 HydrophobicContact CG1-CG2 3.91Å; V87-I203 HydrophobicContact CG2-CB 4.3Å; V87-I203 WeakPolarHBondContact CG2-O 3.26Å; V87-I205 HydrophobicContact CG1-CD1 4.22Å
88	V	95.9	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.4	-174.9	-172.6	0	0	0	0	109	L66 I74 V90 F104 I110 G112 L113 I114	L66-V88 HydrophobicContact CD2-CG2 4.35Å; I74-V88 HydrophobicContact CD1-CG1 4.35Å; I74-V88 HydrophobicContact CG2-CG1 4Å; V88-V90 HydrophobicContact CG1-CG1 3.89Å; V88-F104 HydrophobicContact CG1-CE2 4Å; V88-F104 HydrophobicContact CG1-CZ 4.06Å; V88-I110 HydrophobicContact CG2-CD1 4.13Å; V88-I110 HydrophobicContact CG2-CG1 4.11Å; V88-I110 HydrophobicContact CG2-CG2 4.21Å; V88-G112 PolarHBondContact N-O 3.47Å; V88-L113 HydrophobicContact CB-CD1 4.16Å; V88-L113 HydrophobicContact CG1-CD1 4.43Å; V88-L113 WeakPolarHBondContact O-CA 3.37Å; V88-I114 PolarHBondContact O-N 3.09Å
89	V	95.3	Very high	91.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.2	175.9	-171.2	0	0	0	0	108.8	L66 F67 I114 F116 W181 I203	L66-V89 PolarHBondContact O-N 3.46Å; F67-V89 HydrophobicContact CD1-CB 3.97Å; F67-V89 HydrophobicContact CD1-CG1 4Å; F67-V89 HydrophobicContact CD2-CB 4.35Å; F67-V89 HydrophobicContact CD2-CG2 4.19Å; F67-V89 HydrophobicContact CE1-CB 3.82Å; F67-V89 HydrophobicContact CE1-CG1 3.52Å; F67-V89 HydrophobicContact CE1-CG2 4.12Å; F67-V89 HydrophobicContact CE2-CB 4.21Å; F67-V89 HydrophobicContact CE2-CG2 3.73Å; F67-V89 HydrophobicContact CG-CB 4.24Å; F67-V89 HydrophobicContact CZ-CB 3.94Å; F67-V89 HydrophobicContact CZ-CG1 3.87Å; F67-V89 HydrophobicContact CZ-CG2 3.69Å; V89-I114 WeakPolarHBondContact CA-O 3.47Å; V89-I114 HydrophobicContact CG1-CB 4.35Å; V89-I114 HydrophobicContact CG1-CG2 4.42Å; V89-I114 HydrophobicContact CG2-CB 4.32Å; V89-I114 HydrophobicContact CG2-CD1 4.43Å; V89-F116 HydrophobicContact CG1-CD2 3.39Å; V89-F116 HydrophobicContact CG1-CE2 3.45Å; V89-F116 VanDerWaalsContact CG1-CE2 3.45Å; V89-W181 HydrophobicContact CG1-CE3 4.48Å; V89-W181 HydrophobicContact CG1-CZ3 3.77Å; V89-I203 HydrophobicContact CG2-CD1 3.8Å
90	V	93.6	Very high	91.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.8	-177.3	-59.9	0	0	0	0	111.3	I74 V88 Q94 F95 F104 L113 I114 V115 F116	I74-V90 HydrophobicContact CD1-CG1 4.46Å; V88-V90 HydrophobicContact CG1-CG1 3.89Å; V90-Q94 VanDerWaalsContact CA-OE1 3.29Å; V90-Q94 HydrophobicContact CB-CB 3.95Å; V90-Q94 VanDerWaalsContact CB-OE1 3.28Å; V90-Q94 HydrophobicContact CG1-CB 4.36Å; V90-F95 HydrophobicContact CG2-CB 4.24Å; V90-F104 HydrophobicContact CG1-CE2 4.04Å; V90-L113 HydrophobicContact CG1-CD1 4.02Å; V90-L113 HydrophobicContact CG2-CD1 3.79Å; V90-I114 PolarHBondContact N-O 3.16Å; V90-V115 HydrophobicContact CG2-CB 4.43Å; V90-V115 HydrophobicContact CG2-CG2 3.94Å; V90-V115 CarbonylContact O-C 3.56Å; V90-V115 WeakPolarHBondContact O-CA 3.17Å; V90-F116 PolarHBondContact O-N 3.43Å
91	N	91	Very high	91.9	Very high	51 Å²	51	37 Å²	37	27%	0.273	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	169.3	165	69.4	3.6	0	0	0	111.1	G93 Q94 F95	N91-G93 VanDerWaalsContact C-N 3.29Å; N91-G93 PolarHBondContact O-N 2.99Å; N91-G93 PolarHBondContact OD1-N 3Å; N91-Q94 PolarHBondContact O-N 2.89Å; N91-Q94 VanDerWaalsContact OD1-CB 3.28Å; N91-Q94 WeakPolarHBondContact OD1-CB 3.23Å; N91-Q94 WeakPolarHBondContact OD1-CG 3.44Å; N91-Q94 PolarHBondContact OD1-N 2.97Å; N91-F95 PolarHBondContact O-N 3.1Å
92	V	91.5	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.5	-41.9	177	168	0	0	0	0	111.9	Q94 F95 M96 V115 F116 Y123 F472 L473	V92-Q94 VanDerWaalsContact C-N 3.33Å; V92-Q94 PolarHBondContact O-N 3.31Å; V92-F95 WeakPolarHBondContact O-CB 3.45Å; V92-F95 PolarHBondContact O-N 2.98Å; V92-F95 VanDerWaalsContact O-N 3.09Å; V92-M96 HydrophobicContact CG1-CG 4.26Å; V92-M96 HydrophobicContact CG1-SD 3.8Å; V92-M96 VanDerWaalsContact O-CG 3.25Å; V92-M96 WeakPolarHBondContact O-CG 3.01Å; V92-M96 PolarHBondContact O-N 2.92Å; V92-V115 HydrophobicContact CG2-CG1 4.02Å; V92-F116 PolarHBondContact N-O 3.28Å; V92-Y123 HydrophobicContact CB-CD1 4.09Å; V92-Y123 HydrophobicContact CB-CE1 3.48Å; V92-Y123 VanDerWaalsContact CB-CE1 3.48Å; V92-Y123 HydrophobicContact CB-CE2 4.43Å; V92-Y123 HydrophobicContact CG1-CD1 3.63Å; V92-Y123 HydrophobicContact CG1-CD2 4.5Å; V92-Y123 HydrophobicContact CG1-CE1 3.58Å; V92-Y123 HydrophobicContact CG1-CE2 4.46Å; V92-Y123 HydrophobicContact CG1-CG 4.12Å; V92-Y123 HydrophobicContact CG2-CE1 4.29Å; V92-Y123 HydrophobicContact CG2-CE2 4.43Å; V92-F472 HydrophobicContact CG1-CE2 4.35Å; V92-F472 HydrophobicContact CG1-CZ 4.01Å; V92-F472 HydrophobicContact CG2-CE2 3.96Å; V92-F472 HydrophobicContact CG2-CZ 4.03Å; V92-L473 HydrophobicContact CG1-CD1 4.38Å; V92-L473 HydrophobicContact CG1-CD2 4.13Å
93	G	90	Very high	93.2	Very high	38 Å²	38	38 Å²	38	39%	0.392	21%	0.208	S	C	.	.	H	α-helix	trans	-59.5	-39.4	178.9	0	0	0	0	0	113.8	N91	N91-G93 VanDerWaalsContact C-N 3.29Å; N91-G93 PolarHBondContact O-N 2.99Å; N91-G93 PolarHBondContact OD1-N 3Å
94	Q	91.1	Very high	93.6	Very high	23 Å²	23	30 Å²	30	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-71	-38.1	173.3	-74.7	172.9	-14.9	0	0	111.9	M68 N69 V90 N91 V92 M96 N97 L100	M68-Q94 PolarHBondContact O-NE2 3.31Å; N69-Q94 PolarHBondContact O-NE2 2.69Å; V90-Q94 VanDerWaalsContact CA-OE1 3.29Å; V90-Q94 HydrophobicContact CB-CB 3.95Å; V90-Q94 VanDerWaalsContact CB-OE1 3.28Å; V90-Q94 HydrophobicContact CG1-CB 4.36Å; N91-Q94 PolarHBondContact O-N 2.89Å; N91-Q94 VanDerWaalsContact OD1-CB 3.28Å; N91-Q94 WeakPolarHBondContact OD1-CB 3.23Å; N91-Q94 WeakPolarHBondContact OD1-CG 3.44Å; N91-Q94 PolarHBondContact OD1-N 2.97Å; V92-Q94 VanDerWaalsContact C-N 3.33Å; V92-Q94 PolarHBondContact O-N 3.31Å; Q94-M96 VanDerWaalsContact C-N 3.3Å; Q94-M96 PolarHBondContact O-N 3.37Å; Q94-N97 WeakPolarHBondContact O-CB 3.41Å; Q94-N97 PolarHBondContact O-N 3.49Å; Q94-N97 VanDerWaalsContact O-N 3.12Å; Q94-L100 HydrophobicContact CB-CD2 4.18Å
95	F	93.6	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-37.7	176	-177.8	-110.3	0	0	0	112.4	V90 N91 V92 N97 M101 L113 V115 F128 Y161 V170 I286 F287 F472	V90-F95 HydrophobicContact CG2-CB 4.24Å; N91-F95 PolarHBondContact O-N 3.1Å; V92-F95 WeakPolarHBondContact O-CB 3.45Å; V92-F95 PolarHBondContact O-N 2.98Å; V92-F95 VanDerWaalsContact O-N 3.09Å; F95-N97 PolarHBondContact O-N 3.27Å; F95-M101 HydrophobicContact CD2-CG 4.3Å; F95-M101 HydrophobicContact CD2-SD 3.68Å; F95-M101 HydrophobicContact CE2-SD 4.16Å; F95-M101 VanDerWaalsContact O-CG 3.23Å; F95-M101 WeakPolarHBondContact O-CG 3.26Å; F95-L113 HydrophobicContact CD2-CD2 4.19Å; F95-L113 HydrophobicContact CE2-CD2 4.2Å; F95-V115 HydrophobicContact CB-CG1 3.85Å; F95-V115 HydrophobicContact CB-CG2 4.1Å; F95-V115 HydrophobicContact CD1-CG1 4.37Å; F95-V115 HydrophobicContact CD1-CG2 4.43Å; F95-V115 HydrophobicContact CD2-CG2 3.44Å; F95-V115 VanDerWaalsContact CD2-CG2 3.44Å; F95-V115 HydrophobicContact CE2-CG2 3.88Å; F95-V115 HydrophobicContact CG-CG1 4.03Å; F95-V115 HydrophobicContact CG-CG2 3.74Å; F95-F128 HydrophobicContact CD1-CZ 4.18Å; F95-F128 AromaticContact CE1-CZ 3.92Å; F95-F128 HydrophobicContact CE1-CZ 3.92Å; F95-Y161 HydrophobicContact CD1-CD2 4.48Å; F95-Y161 HydrophobicContact CD1-CE2 4.17Å; F95-Y161 HydrophobicContact CD2-CE2 4.4Å; F95-Y161 AromaticContact CE1-CD2 3.67Å; F95-Y161 HydrophobicContact CE1-CD2 3.67Å; F95-Y161 AromaticContact CE1-CE2 3.79Å; F95-Y161 HydrophobicContact CE1-CE2 3.79Å; F95-Y161 HydrophobicContact CE2-CD2 4.16Å; F95-Y161 HydrophobicContact CE2-CE2 4.04Å; F95-Y161 HydrophobicContact CG-CE2 4.47Å; F95-Y161 AromaticContact CZ-CD2 3.48Å; F95-Y161 HydrophobicContact CZ-CD2 3.48Å; F95-Y161 VanDerWaalsContact CZ-CD2 3.48Å; F95-Y161 AromaticContact CZ-CE2 3.73Å; F95-Y161 HydrophobicContact CZ-CE2 3.73Å; F95-Y161 WeakPolarHBondContact O-CE2 3.21Å; F95-Y161 PolarHBondContact O-OH 3.27Å; F95-V170 HydrophobicContact CE2-CG1 4.4Å; F95-I286 HydrophobicContact CZ-CG2 4.39Å; F95-F287 AromaticContact CE1-CE2 3.91Å; F95-F287 HydrophobicContact CE1-CE2 3.91Å; F95-F287 HydrophobicContact CE1-CZ 4.16Å; F95-F287 HydrophobicContact CE2-CZ 4.38Å; F95-F287 HydrophobicContact CZ-CE2 4.03Å; F95-F287 AromaticContact CZ-CZ 3.86Å; F95-F287 HydrophobicContact CZ-CZ 3.86Å; F95-F472 HydrophobicContact CD1-CE1 4.17Å; F95-F472 HydrophobicContact CD1-CZ 4.45Å; F95-F472 HydrophobicContact CE1-CE1 4.02Å
96	M	92.8	Very high	93.9	Very high	25 Å²	25	35 Å²	35	12%	0.123	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.2	175.6	-69.8	171.1	58.2	0	0	113.5	V92 Q94 T98 Y126 F128 L473	V92-M96 HydrophobicContact CG1-CG 4.26Å; V92-M96 HydrophobicContact CG1-SD 3.8Å; V92-M96 VanDerWaalsContact O-CG 3.25Å; V92-M96 WeakPolarHBondContact O-CG 3.01Å; V92-M96 PolarHBondContact O-N 2.92Å; Q94-M96 VanDerWaalsContact C-N 3.3Å; Q94-M96 PolarHBondContact O-N 3.37Å; M96-T98 PolarHBondContact O-N 3.02Å; M96-Y126 HydrophobicContact CE-CG 4.08Å; M96-F128 HydrophobicContact CB-CD2 4.07Å; M96-F128 HydrophobicContact CB-CE2 4.49Å; M96-F128 HydrophobicContact CE-CB 3.55Å; M96-F128 HydrophobicContact CE-CG 4.27Å; M96-F128 HydrophobicContact CG-CB 4.09Å; M96-F128 HydrophobicContact CG-CD1 4.27Å; M96-F128 HydrophobicContact CG-CD2 3.69Å; M96-F128 HydrophobicContact CG-CE2 4.15Å; M96-F128 HydrophobicContact CG-CG 3.75Å; M96-F128 HydrophobicContact SD-CB 4.23Å; M96-F128 HydrophobicContact SD-CG 4.44Å; M96-L473 HydrophobicContact SD-CD1 4.11Å
97	N	93.1	Very high	93.8	Very high	67 Å²	67	35.3 Å²	35.3	36%	0.358	19%	0.19	S	C	.	.			trans	-75.1	97	176.6	-172	-30.6	0	0	0	111.1	Q94 F95 S99 L100 M101	Q94-N97 WeakPolarHBondContact O-CB 3.41Å; Q94-N97 PolarHBondContact O-N 3.49Å; Q94-N97 VanDerWaalsContact O-N 3.12Å; F95-N97 PolarHBondContact O-N 3.27Å; N97-S99 PolarHBondContact O-N 2.82Å; N97-S99 WeakPolarHBondContact OD1-CB 3.4Å; N97-S99 PolarHBondContact OD1-N 3.18Å; N97-S99 VanDerWaalsContact OD1-N 3.09Å; N97-L100 HydrophobicContact CB-CB 3.98Å; N97-L100 WeakPolarHBondContact O-CB 3.43Å; N97-L100 PolarHBondContact O-N 2.77Å; N97-L100 VanDerWaalsContact O-N 3.08Å; N97-L100 PolarHBondContact OD1-N 2.81Å; N97-L100 VanDerWaalsContact OD1-N 3.16Å; N97-M101 PolarHBondContact O-N 3.44Å
98	T	93.3	Very high	93.6	Very high	51 Å²	51	41.2 Å²	41.2	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-58.6	-30.3	-179	61	0	0	0	0	114.2	M96 R102 T159 Y161	M96-T98 PolarHBondContact O-N 3.02Å; T98-R102 VanDerWaalsContact O-CB 3.28Å; T98-R102 WeakPolarHBondContact O-CB 3.47Å; T98-R102 PolarHBondContact O-N 3.22Å; T98-T159 HydrophobicContact CG2-CG2 3.5Å; T98-T159 VanDerWaalsContact CG2-CG2 3.5Å; T98-Y161 WeakPolarHBondContact CA-OH 3.12Å; T98-Y161 HydrophobicContact CG2-CE1 4.34Å
99	S	93.9	Very high	93.5	Very high	77 Å²	77	41.5 Å²	41.5	54%	0.538	23%	0.228	S	C	.	.	H	α-helix	trans	-71.4	-40.4	177.7	-61.6	0	0	0	0	111.3	N97 Y103	N97-S99 PolarHBondContact O-N 2.82Å; N97-S99 WeakPolarHBondContact OD1-CB 3.4Å; N97-S99 PolarHBondContact OD1-N 3.18Å; N97-S99 VanDerWaalsContact OD1-N 3.09Å; S99-Y103 PolarHBondContact O-N 3.1Å; S99-Y103 VanDerWaalsContact O-N 3.12Å
100	L	94.3	Very high	93.5	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-47.1	175.7	-175	63.8	0	0	0	111.3	I75 Q94 N97 R102 Y103 F104	I75-L100 HydrophobicContact CD1-CD1 3.91Å; I75-L100 HydrophobicContact CG1-CD1 4.03Å; Q94-L100 HydrophobicContact CB-CD2 4.18Å; N97-L100 HydrophobicContact CB-CB 3.98Å; N97-L100 WeakPolarHBondContact O-CB 3.43Å; N97-L100 PolarHBondContact O-N 2.77Å; N97-L100 VanDerWaalsContact O-N 3.08Å; N97-L100 PolarHBondContact OD1-N 2.81Å; N97-L100 VanDerWaalsContact OD1-N 3.16Å; L100-R102 VanDerWaalsContact C-N 3.33Å; L100-R102 PolarHBondContact O-N 2.83Å; L100-Y103 WeakPolarHBondContact O-CB 3.47Å; L100-Y103 PolarHBondContact O-N 2.9Å; L100-Y103 VanDerWaalsContact O-N 3.14Å; L100-F104 HydrophobicContact CD1-CD1 4.35Å; L100-F104 HydrophobicContact CD1-CE1 3.56Å; L100-F104 HydrophobicContact CD1-CE2 4.32Å; L100-F104 HydrophobicContact CD1-CZ 3.54Å; L100-F104 HydrophobicContact CD2-CE2 4.17Å; L100-F104 HydrophobicContact CD2-CZ 3.96Å; L100-F104 HydrophobicContact CG-CD2 4.49Å; L100-F104 HydrophobicContact CG-CE1 4.02Å; L100-F104 HydrophobicContact CG-CE2 3.9Å; L100-F104 HydrophobicContact CG-CZ 3.61Å; L100-F104 PolarHBondContact O-N 3.15Å
101	M	95.7	Very high	93.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-37.7	178.8	-71.4	-51.6	102.1	0	0	112.7	F95 N97 Y103 F104 R105 L113 Y161 W166	F95-M101 HydrophobicContact CD2-CG 4.3Å; F95-M101 HydrophobicContact CD2-SD 3.68Å; F95-M101 HydrophobicContact CE2-SD 4.16Å; F95-M101 VanDerWaalsContact O-CG 3.23Å; F95-M101 WeakPolarHBondContact O-CG 3.26Å; N97-M101 PolarHBondContact O-N 3.44Å; M101-Y103 VanDerWaalsContact C-N 3.31Å; M101-Y103 PolarHBondContact O-N 2.63Å; M101-F104 HydrophobicContact CE-CD2 3.37Å; M101-F104 HydrophobicContact CE-CE2 3.4Å; M101-F104 VanDerWaalsContact CE-CE2 3.4Å; M101-F104 HydrophobicContact CE-CG 4.42Å; M101-F104 HydrophobicContact CE-CZ 4.46Å; M101-F104 PolarHBondContact O-N 3.07Å; M101-F104 HydrophobicContact SD-CD2 4.05Å; M101-R105 WeakPolarHBondContact O-CB 3.45Å; M101-R105 PolarHBondContact O-N 3.42Å; M101-L113 HydrophobicContact SD-CD2 3.72Å; M101-Y161 HydrophobicContact CB-CE1 4.3Å; M101-Y161 VanDerWaalsContact CB-OH 3.31Å; M101-Y161 WeakPolarHBondContact CB-OH 3.18Å; M101-Y161 HydrophobicContact CG-CE2 4.06Å; M101-Y161 WeakPolarHBondContact CG-OH 3.32Å; M101-W166 HydrophobicContact CB-CH2 4.03Å; M101-W166 HydrophobicContact CG-CH2 4.37Å; M101-W166 HydrophobicContact SD-CH2 4.45Å
102	R	95.3	Very high	93.9	Very high	143 Å²	143	43 Å²	43	54%	0.54	23%	0.232	S	C	.	.	H	α-helix	trans	-61.9	-40.6	173.4	-172	-179.8	-65.2	102.2	0.5	111.6	T98 L100 R105 S106	T98-R102 VanDerWaalsContact O-CB 3.28Å; T98-R102 WeakPolarHBondContact O-CB 3.47Å; T98-R102 PolarHBondContact O-N 3.22Å; L100-R102 VanDerWaalsContact C-N 3.33Å; L100-R102 PolarHBondContact O-N 2.83Å; R102-R105 PolarHBondContact O-N 3.01Å; R102-S106 PolarHBondContact O-N 2.85Å; R102-S106 PolarHBondContact O-OG 2.99Å
103	Y	94.8	Very high	94.2	Very high	46 Å²	46	43 Å²	43	18%	0.18	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-48.5	174.5	176.6	-101.4	0	0	0	111.3	I75 L78 R79 S99 L100 M101 R105 S106 T107	I75-Y103 HydrophobicContact CB-CE1 4.16Å; I75-Y103 HydrophobicContact CD1-CD1 4.48Å; I75-Y103 HydrophobicContact CG1-CD1 3.82Å; I75-Y103 HydrophobicContact CG1-CE1 3.76Å; I75-Y103 HydrophobicContact CG2-CE1 3.97Å; I75-Y103 HydrophobicContact CG2-CE2 4.48Å; L78-Y103 HydrophobicContact CD1-CE1 4.19Å; R79-Y103 VanDerWaalsContact CG-OH 3.24Å; R79-Y103 WeakPolarHBondContact CG-OH 3.34Å; R79-Y103 PolarHBondContact NE-OH 3.22Å; S99-Y103 PolarHBondContact O-N 3.1Å; S99-Y103 VanDerWaalsContact O-N 3.12Å; L100-Y103 WeakPolarHBondContact O-CB 3.47Å; L100-Y103 PolarHBondContact O-N 2.9Å; L100-Y103 VanDerWaalsContact O-N 3.14Å; M101-Y103 VanDerWaalsContact C-N 3.31Å; M101-Y103 PolarHBondContact O-N 2.63Å; Y103-R105 VanDerWaalsContact C-N 3.33Å; Y103-R105 PolarHBondContact O-N 3.26Å; Y103-S106 PolarHBondContact O-N 3.36Å; Y103-S106 VanDerWaalsContact O-N 3.07Å; Y103-S106 PolarHBondContact O-OG 3.03Å; Y103-T107 PolarHBondContact O-N 3.07Å; Y103-T107 PolarHBondContact O-OG1 2.94Å
104	F	95.3	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-44.5	177.3	-68.2	-9.1	0	0	0	112.3	I74 L78 V88 V90 L100 M101 S106 T107 I110 L113 F168	I74-F104 HydrophobicContact CB-CZ 4.45Å; I74-F104 HydrophobicContact CD1-CZ 4.38Å; I74-F104 HydrophobicContact CG2-CE1 3.7Å; I74-F104 HydrophobicContact CG2-CZ 3.62Å; L78-F104 HydrophobicContact CD1-CD1 4.1Å; L78-F104 HydrophobicContact CD1-CE1 3.9Å; V88-F104 HydrophobicContact CG1-CE2 4Å; V88-F104 HydrophobicContact CG1-CZ 4.06Å; V90-F104 HydrophobicContact CG1-CE2 4.04Å; L100-F104 HydrophobicContact CD1-CD1 4.35Å; L100-F104 HydrophobicContact CD1-CE1 3.56Å; L100-F104 HydrophobicContact CD1-CE2 4.32Å; L100-F104 HydrophobicContact CD1-CZ 3.54Å; L100-F104 HydrophobicContact CD2-CE2 4.17Å; L100-F104 HydrophobicContact CD2-CZ 3.96Å; L100-F104 HydrophobicContact CG-CD2 4.49Å; L100-F104 HydrophobicContact CG-CE1 4.02Å; L100-F104 HydrophobicContact CG-CE2 3.9Å; L100-F104 HydrophobicContact CG-CZ 3.61Å; L100-F104 PolarHBondContact O-N 3.15Å; M101-F104 HydrophobicContact CE-CD2 3.37Å; M101-F104 HydrophobicContact CE-CE2 3.4Å; M101-F104 VanDerWaalsContact CE-CE2 3.4Å; M101-F104 HydrophobicContact CE-CG 4.42Å; M101-F104 HydrophobicContact CE-CZ 4.46Å; M101-F104 PolarHBondContact O-N 3.07Å; M101-F104 HydrophobicContact SD-CD2 4.05Å; F104-S106 PolarHBondContact O-N 3.12Å; F104-T107 PolarHBondContact O-N 3.43Å; F104-I110 HydrophobicContact CB-CD1 3.59Å; F104-I110 HydrophobicContact CD1-CD1 3.65Å; F104-I110 HydrophobicContact CG-CD1 3.69Å; F104-L113 HydrophobicContact CD2-CD1 4.28Å; F104-L113 HydrophobicContact CE2-CD1 4.36Å; F104-F168 HydrophobicContact CB-CZ 4.27Å
105	R	95	Very high	94.7	Very high	104 Å²	104	40 Å²	40	39%	0.392	21%	0.208	S	C	.	.	H	α-helix	trans	-58.7	-33.5	177	-166.2	-179.3	72.7	178.2	3.8	113.3	M101 R102 Y103 T107 P167	M101-R105 WeakPolarHBondContact O-CB 3.45Å; M101-R105 PolarHBondContact O-N 3.42Å; R102-R105 PolarHBondContact O-N 3.01Å; Y103-R105 VanDerWaalsContact C-N 3.33Å; Y103-R105 PolarHBondContact O-N 3.26Å; R105-T107 VanDerWaalsContact C-N 3.34Å; R105-P167 HydrophobicContact CG-CG 4.22Å
106	S	94.1	Very high	94.7	Very high	87 Å²	87	40.5 Å²	40.5	61%	0.608	21%	0.21	S	C	*	.	H	α-helix	trans	-81.9	-10.4	178.1	66.6	0	0	0	0	114.3	R102 Y103 F104	R102-S106 PolarHBondContact O-N 2.85Å; R102-S106 PolarHBondContact O-OG 2.99Å; Y103-S106 PolarHBondContact O-N 3.36Å; Y103-S106 VanDerWaalsContact O-N 3.07Å; Y103-S106 PolarHBondContact O-OG 3.03Å; F104-S106 PolarHBondContact O-N 3.12Å
107	T	94	Very high	94.5	Very high	19 Å²	19	40.3 Å²	40.3	12%	0.117	21%	0.212	C	C	.	.			trans	-96.6	128.6	-172.8	-49.5	0	0	0	0	110.6	Y103 F104 R105 N109 I110	Y103-T107 PolarHBondContact O-N 3.07Å; Y103-T107 PolarHBondContact O-OG1 2.94Å; F104-T107 PolarHBondContact O-N 3.43Å; R105-T107 VanDerWaalsContact C-N 3.34Å; T107-N109 WeakPolarHBondContact CG2-OD1 3.18Å; T107-I110 HydrophobicContact CG2-CG1 4.46Å
108	T	92	Very high	93.8	Very high	124 Å²	124	38.4 Å²	38.4	76%	0.761	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-20.7	-170.5	55.8	0	0	0	0	115.1	I110	T108-I110 VanDerWaalsContact C-N 3.29Å
109	N	93.2	Very high	92.5	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.4	179.5	64.9	-8.4	0	0	0	112.9	L78 N81 P85 F86 T107 K111	L78-N109 PolarHBondContact O-ND2 3.34Å; N81-N109 PolarHBondContact O-ND2 2.77Å; P85-N109 CarbonylContact C-O 3.18Å; P85-N109 WeakPolarHBondContact CA-O 3.34Å; F86-N109 PolarHBondContact N-O 3.33Å; T107-N109 WeakPolarHBondContact CG2-OD1 3.18Å; N109-K111 PolarHBondContact O-N 2.91Å
110	I	95.6	Very high	91.1	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.6	172.7	-59	178.5	0	0	0	108.9	L78 V88 F104 T107 T108 G112 F168	L78-I110 HydrophobicContact CD1-CD1 3.85Å; L78-I110 HydrophobicContact CD1-CG1 4.21Å; L78-I110 HydrophobicContact CD2-CG1 3.96Å; V88-I110 HydrophobicContact CG2-CD1 4.13Å; V88-I110 HydrophobicContact CG2-CG1 4.11Å; V88-I110 HydrophobicContact CG2-CG2 4.21Å; F104-I110 HydrophobicContact CB-CD1 3.59Å; F104-I110 HydrophobicContact CD1-CD1 3.65Å; F104-I110 HydrophobicContact CG-CD1 3.69Å; T107-I110 HydrophobicContact CG2-CG1 4.46Å; T108-I110 VanDerWaalsContact C-N 3.29Å; I110-G112 WeakPolarHBondContact CG2-O 3.4Å; I110-F168 HydrophobicContact CB-CD1 4.19Å; I110-F168 HydrophobicContact CB-CE1 4.09Å; I110-F168 HydrophobicContact CG2-CD1 3.81Å; I110-F168 HydrophobicContact CG2-CD2 4.43Å; I110-F168 HydrophobicContact CG2-CE1 3.72Å; I110-F168 HydrophobicContact CG2-CE2 4.36Å; I110-F168 HydrophobicContact CG2-CG 4.19Å; I110-F168 HydrophobicContact CG2-CZ 4.02Å
111	K	96.2	Very high	89.9	Confident	77 Å²	77	50.3 Å²	50.3	34%	0.335	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-13.8	178.2	-66.2	-55	-172.7	179.2	0	113.6	N61 P85 F86 N109 P169	N61-K111 HydrophobicContact CB-CB 4.3Å; N61-K111 WeakPolarHBondContact CB-O 3.32Å; N61-K111 PolarHBondContact ND2-O 3.05Å; P85-K111 HydrophobicContact CB-CB 4.48Å; P85-K111 HydrophobicContact CB-CG 3.48Å; P85-K111 VanDerWaalsContact CB-CG 3.48Å; F86-K111 PolarHBondContact O-N 2.62Å; N109-K111 PolarHBondContact O-N 2.91Å; K111-P169 VanDerWaalsContact O-CD 3.32Å; K111-P169 WeakPolarHBondContact O-CD 3Å
112	G	97.3	Very high	88.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	161.6	175.1	0	0	0	0	0	112	V87 V88 I110 P169	V87-G112 WeakPolarHBondContact CA-O 3.25Å; V88-G112 PolarHBondContact N-O 3.47Å; I110-G112 WeakPolarHBondContact CG2-O 3.4Å; G112-P169 WeakPolarHBondContact CA-O 3.11Å
113	L	97.4	Very high	88.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.5	177.4	178.3	66.1	0	0	0	110	V88 V90 F95 M101 F104 V115 F168 P169 V170 V171	V88-L113 HydrophobicContact CB-CD1 4.16Å; V88-L113 HydrophobicContact CG1-CD1 4.43Å; V88-L113 WeakPolarHBondContact O-CA 3.37Å; V90-L113 HydrophobicContact CG1-CD1 4.02Å; V90-L113 HydrophobicContact CG2-CD1 3.79Å; F95-L113 HydrophobicContact CD2-CD2 4.19Å; F95-L113 HydrophobicContact CE2-CD2 4.2Å; M101-L113 HydrophobicContact SD-CD2 3.72Å; F104-L113 HydrophobicContact CD2-CD1 4.28Å; F104-L113 HydrophobicContact CE2-CD1 4.36Å; L113-V115 HydrophobicContact CG-CG2 4.44Å; L113-F168 HydrophobicContact CB-CD2 4.14Å; L113-F168 HydrophobicContact CB-CE2 3.68Å; L113-F168 HydrophobicContact CD2-CE2 4.3Å; L113-P169 PolarHBondContact N-O 3.21Å; L113-V170 HydrophobicContact CB-CG1 4.11Å; L113-V170 HydrophobicContact CB-CG2 4.23Å; L113-V170 HydrophobicContact CD2-CG1 3.87Å; L113-V170 HydrophobicContact CD2-CG2 4.4Å; L113-V170 HydrophobicContact CG-CG1 4.07Å; L113-V170 VanDerWaalsContact O-CA 3.32Å; L113-V170 WeakPolarHBondContact O-CA 3.49Å; L113-V171 PolarHBondContact O-N 3.16Å
114	I	97.3	Very high	87.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.9	175.6	-59.1	175.7	0	0	0	108.4	V87 V88 V89 V90 F116 V171 V173 I203 I205 L648	V87-I114 HydrophobicContact CG1-CD1 3.91Å; V87-I114 HydrophobicContact CG1-CG1 4.09Å; V88-I114 PolarHBondContact O-N 3.09Å; V89-I114 WeakPolarHBondContact CA-O 3.47Å; V89-I114 HydrophobicContact CG1-CB 4.35Å; V89-I114 HydrophobicContact CG1-CG2 4.42Å; V89-I114 HydrophobicContact CG2-CB 4.32Å; V89-I114 HydrophobicContact CG2-CD1 4.43Å; V90-I114 PolarHBondContact N-O 3.16Å; I114-F116 HydrophobicContact CG2-CD2 3.76Å; I114-F116 HydrophobicContact CG2-CE2 3.51Å; I114-F116 HydrophobicContact CG2-CZ 4.35Å; I114-V171 CarbonylContact C-O 3.5Å; I114-V171 WeakPolarHBondContact CA-O 3.33Å; I114-V173 HydrophobicContact CG2-CG2 3.68Å; I114-I203 HydrophobicContact CD1-CD1 4.28Å; I114-I203 HydrophobicContact CD1-CG2 3.59Å; I114-I205 HydrophobicContact CD1-CD1 4.3Å; I114-I205 HydrophobicContact CG1-CD1 3.84Å; I114-L648 HydrophobicContact CD1-CD1 3.56Å; I114-L648 HydrophobicContact CD1-CD2 4.25Å; I114-L648 HydrophobicContact CG1-CD1 4.39Å
115	V	95.2	Very high	86.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.4	176.6	-173.8	0	0	0	0	107.7	V90 V92 F95 L113 V170 V171 L172 V173 F287	V90-V115 HydrophobicContact CG2-CB 4.43Å; V90-V115 HydrophobicContact CG2-CG2 3.94Å; V90-V115 CarbonylContact O-C 3.56Å; V90-V115 WeakPolarHBondContact O-CA 3.17Å; V92-V115 HydrophobicContact CG2-CG1 4.02Å; F95-V115 HydrophobicContact CB-CG1 3.85Å; F95-V115 HydrophobicContact CB-CG2 4.1Å; F95-V115 HydrophobicContact CD1-CG1 4.37Å; F95-V115 HydrophobicContact CD1-CG2 4.43Å; F95-V115 HydrophobicContact CD2-CG2 3.44Å; F95-V115 VanDerWaalsContact CD2-CG2 3.44Å; F95-V115 HydrophobicContact CE2-CG2 3.88Å; F95-V115 HydrophobicContact CG-CG1 4.03Å; F95-V115 HydrophobicContact CG-CG2 3.74Å; L113-V115 HydrophobicContact CG-CG2 4.44Å; V115-V170 HydrophobicContact CG2-CG1 4.42Å; V115-V171 PolarHBondContact N-O 2.79Å; V115-L172 HydrophobicContact CB-CD1 4.14Å; V115-L172 HydrophobicContact CG1-CD1 4.01Å; V115-L172 CarbonylContact O-C 3.52Å; V115-L172 WeakPolarHBondContact O-CA 3.36Å; V115-V173 PolarHBondContact O-N 3.37Å; V115-F287 HydrophobicContact CB-CZ 4.39Å; V115-F287 HydrophobicContact CG2-CZ 4.06Å
116	F	92.6	Very high	86.1	Confident	10 Å²	10	59.3 Å²	59.3	4%	0.044	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.2	172.4	-84	-93.3	0	0	0	110.4	V89 V90 V92 I114 V173 D175 I180 W181 M184	V89-F116 HydrophobicContact CG1-CD2 3.39Å; V89-F116 HydrophobicContact CG1-CE2 3.45Å; V89-F116 VanDerWaalsContact CG1-CE2 3.45Å; V90-F116 PolarHBondContact O-N 3.43Å; V92-F116 PolarHBondContact N-O 3.28Å; I114-F116 HydrophobicContact CG2-CD2 3.76Å; I114-F116 HydrophobicContact CG2-CE2 3.51Å; I114-F116 HydrophobicContact CG2-CZ 4.35Å; F116-V173 WeakPolarHBondContact CA-O 3.08Å; F116-V173 HydrophobicContact CD1-CB 3.91Å; F116-V173 HydrophobicContact CD1-CG1 3.95Å; F116-V173 HydrophobicContact CE1-CB 3.85Å; F116-V173 HydrophobicContact CE1-CG1 3.56Å; F116-V173 HydrophobicContact CG-CB 4.36Å; F116-V173 HydrophobicContact CZ-CB 4.24Å; F116-V173 HydrophobicContact CZ-CG1 4.17Å; F116-V173 HydrophobicContact CZ-CG2 4.43Å; F116-D175 HydrophobicContact CD1-CB 4.29Å; F116-D175 HydrophobicContact CE1-CB 4.44Å; F116-I180 HydrophobicContact CE1-CB 4.4Å; F116-I180 HydrophobicContact CE1-CG2 4.06Å; F116-I180 HydrophobicContact CZ-CG2 4.2Å; F116-W181 HydrophobicContact CB-CE3 3.88Å; F116-W181 HydrophobicContact CB-CZ3 4.06Å; F116-W181 HydrophobicContact CD1-CB 4.2Å; F116-W181 AromaticContact CD1-CE3 3.91Å; F116-W181 HydrophobicContact CD1-CE3 3.91Å; F116-W181 AromaticContact CD2-CE3 3.52Å; F116-W181 HydrophobicContact CD2-CE3 3.52Å; F116-W181 AromaticContact CD2-CZ3 3.7Å; F116-W181 HydrophobicContact CD2-CZ3 3.7Å; F116-W181 HydrophobicContact CE1-CB 4.1Å; F116-W181 HydrophobicContact CE1-CE3 4.29Å; F116-W181 AromaticContact CE2-CE3 3.93Å; F116-W181 HydrophobicContact CE2-CE3 3.93Å; F116-W181 HydrophobicContact CE2-CZ3 4.31Å; F116-W181 AromaticContact CG-CE3 3.49Å; F116-W181 HydrophobicContact CG-CE3 3.49Å; F116-W181 VanDerWaalsContact CG-CE3 3.49Å; F116-W181 AromaticContact CG-CZ3 3.95Å; F116-W181 HydrophobicContact CG-CZ3 3.95Å; F116-W181 HydrophobicContact CZ-CE3 4.29Å; F116-M184 HydrophobicContact CE2-SD 4.33Å; F116-M184 HydrophobicContact CZ-SD 4.3Å
117	S	88.4	Confident	86	Confident	21 Å²	21	58 Å²	58	15%	0.147	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.3	171	-178.9	0	0	0	0	109.4	V173 D175	S117-V173 PolarHBondContact N-O 3.14Å; S117-D175 PolarHBondContact O-N 3.28Å
118	N	78.9	Confident	86.1	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.144	28%	0.277	C	S	.	.			trans	-99.3	132.8	168.4	-178.1	-0.3	0	0	0	109	E120 E121 Y123 N178	N118-E120 VanDerWaalsContact C-N 3.29Å; N118-E120 PolarHBondContact O-N 2.88Å; N118-E120 PolarHBondContact OD1-N 2.98Å; N118-E121 PolarHBondContact O-N 2.82Å; N118-Y123 PolarHBondContact N-OH 3.32Å; N118-Y123 VanDerWaalsContact O-CE2 3.31Å; N118-Y123 WeakPolarHBondContact O-CE2 3.47Å; N118-Y123 PolarHBondContact O-OH 3.07Å; N118-N178 PolarHBondContact ND2-ND2 2.83Å; N118-N178 VanDerWaalsContact ND2-ND2 3.13Å
119	E	65.6	Low	86.3	Confident	137 Å²	137	51.3 Å²	51.3	64%	0.64	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.6	178.4	-70.4	-171.6	173	0	0	113.4	E121	E119-E121 PolarHBondContact O-N 3.16Å
120	E	65.6	Low	86.5	Confident	162 Å²	162	51 Å²	51	76%	0.757	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.6	179.3	-65.1	-176.1	159.5	0	0	112.7	N118 N122	N118-E120 VanDerWaalsContact C-N 3.29Å; N118-E120 PolarHBondContact O-N 2.88Å; N118-E120 PolarHBondContact OD1-N 2.98Å; E120-N122 PolarHBondContact O-N 3.38Å
121	E	68.2	Low	86.5	Confident	85 Å²	85	50.7 Å²	50.7	40%	0.397	24%	0.238	S	C	.	.	S	Bend	trans	-80	117.3	176.7	-77.8	-169.1	-177.1	0	0	110.6	N118 E119 Y123	N118-E121 PolarHBondContact O-N 2.82Å; E119-E121 PolarHBondContact O-N 3.16Å; E121-Y123 HydrophobicContact CB-CD1 4.33Å; E121-Y123 HydrophobicContact CB-CE1 3.61Å; E121-Y123 HydrophobicContact CB-CE2 4.08Å; E121-Y123 VanDerWaalsContact CB-CZ 3.46Å; E121-Y123 WeakPolarHBondContact CB-OH 3.48Å; E121-Y123 VanDerWaalsContact O-CD2 3.27Å; E121-Y123 WeakPolarHBondContact O-CD2 3.17Å; E121-Y123 WeakPolarHBondContact O-CE2 3.42Å; E121-Y123 PolarHBondContact O-N 3Å; E121-Y123 VanDerWaalsContact OE2-CE1 3.24Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.38Å; E121-Y123 PolarHBondContact OE2-OH 3.08Å
122	N	75.3	Confident	86.4	Confident	77 Å²	77	47.5 Å²	47.5	41%	0.412	23%	0.225	S	C	.	.			trans	-77.8	91.1	176.3	-175.2	-20.4	0	0	0	110.8	E120 D124	E120-N122 PolarHBondContact O-N 3.38Å; N122-D124 VanDerWaalsContact C-N 3.27Å; N122-D124 PolarHBondContact O-N 2.81Å; N122-D124 VanDerWaalsContact OD1-CB 3.25Å; N122-D124 WeakPolarHBondContact OD1-CB 3.47Å; N122-D124 PolarHBondContact OD1-N 2.91Å; N122-D124 PolarHBondContact OD1-OD2 3.46Å
123	Y	79.5	Confident	86.3	Confident	22 Å²	22	51.5 Å²	51.5	9%	0.086	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-73.4	-12	176.9	-52.5	-65.3	0	0	0	114.3	V92 N118 E121 R125 Y126 L473	V92-Y123 HydrophobicContact CB-CD1 4.09Å; V92-Y123 HydrophobicContact CB-CE1 3.48Å; V92-Y123 VanDerWaalsContact CB-CE1 3.48Å; V92-Y123 HydrophobicContact CB-CE2 4.43Å; V92-Y123 HydrophobicContact CG1-CD1 3.63Å; V92-Y123 HydrophobicContact CG1-CD2 4.5Å; V92-Y123 HydrophobicContact CG1-CE1 3.58Å; V92-Y123 HydrophobicContact CG1-CE2 4.46Å; V92-Y123 HydrophobicContact CG1-CG 4.12Å; V92-Y123 HydrophobicContact CG2-CE1 4.29Å; V92-Y123 HydrophobicContact CG2-CE2 4.43Å; N118-Y123 PolarHBondContact N-OH 3.32Å; N118-Y123 VanDerWaalsContact O-CE2 3.31Å; N118-Y123 WeakPolarHBondContact O-CE2 3.47Å; N118-Y123 PolarHBondContact O-OH 3.07Å; E121-Y123 HydrophobicContact CB-CD1 4.33Å; E121-Y123 HydrophobicContact CB-CE1 3.61Å; E121-Y123 HydrophobicContact CB-CE2 4.08Å; E121-Y123 VanDerWaalsContact CB-CZ 3.46Å; E121-Y123 WeakPolarHBondContact CB-OH 3.48Å; E121-Y123 VanDerWaalsContact O-CD2 3.27Å; E121-Y123 WeakPolarHBondContact O-CD2 3.17Å; E121-Y123 WeakPolarHBondContact O-CE2 3.42Å; E121-Y123 PolarHBondContact O-N 3Å; E121-Y123 VanDerWaalsContact OE2-CE1 3.24Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.38Å; E121-Y123 PolarHBondContact OE2-OH 3.08Å; Y123-R125 PolarHBondContact O-N 3.01Å; Y123-Y126 PolarHBondContact O-N 2.7Å; Y123-L473 HydrophobicContact CD2-CD2 3.97Å; Y123-L473 HydrophobicContact CG-CD2 4.16Å
124	D	76.7	Confident	86.2	Confident	35 Å²	35	52.1 Å²	52.1	19%	0.187	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-64.5	-14.9	-176.2	-51	-56.8	0	0	0	113	N122 Y126 K476 L480	N122-D124 VanDerWaalsContact C-N 3.27Å; N122-D124 PolarHBondContact O-N 2.81Å; N122-D124 VanDerWaalsContact OD1-CB 3.25Å; N122-D124 WeakPolarHBondContact OD1-CB 3.47Å; N122-D124 PolarHBondContact OD1-N 2.91Å; N122-D124 PolarHBondContact OD1-OD2 3.46Å; D124-Y126 VanDerWaalsContact C-N 3.28Å; D124-K476 IonicContact OD1-NZ 3.59Å; D124-K476 IonicContact OD2-NZ 2.88Å; D124-K476 PolarHBondContact OD2-NZ 3.02Å; D124-L480 HydrophobicContact CB-CD1 4.35Å; D124-L480 WeakPolarHBondContact OD2-CD1 3.43Å
125	R	79.1	Confident	86.1	Confident	205 Å²	205	52.1 Å²	52.1	77%	0.774	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-73.6	-19.6	175.4	-65.5	-174.2	-179.4	-177.7	1.6	113.2	Y123	Y123-R125 PolarHBondContact O-N 3.01Å
126	Y	86.5	Confident	86	Confident	144 Å²	144	52.2 Å²	52.2	57%	0.565	25%	0.247	S	C	*	.	S	Bend	trans	-115.2	130.4	-173.8	-55.9	-77.2	0	0	0	110.7	M96 Y123 D124 H468	M96-Y126 HydrophobicContact CE-CG 4.08Å; Y123-Y126 PolarHBondContact O-N 2.7Å; D124-Y126 VanDerWaalsContact C-N 3.28Å; Y126-H468 PolarHBondContact O-CE1 2.88Å
127	A	92.4	Very high	85.9	Confident	59 Å²	59	53.2 Å²	53.2	49%	0.488	26%	0.255	S	S	.	.			trans	-78.7	130.3	173.6	0	0	0	0	0	110.1	A157 K467	A127-A157 HydrophobicContact CB-CB 3.82Å; A127-K467 HydrophobicContact CB-CB 4.07Å; A127-K467 HydrophobicContact CB-CG 4.47Å
128	F	95.2	Very high	86	Confident	3 Å²	3	58.5 Å²	58.5	1%	0.013	28%	0.281	C	S	.	.			trans	-154.9	127.2	178.4	173.5	-103.1	0	0	0	110.6	F95 M96 E130 T159 Y161 K467 H468 S471 F472 L473	F95-F128 HydrophobicContact CD1-CZ 4.18Å; F95-F128 AromaticContact CE1-CZ 3.92Å; F95-F128 HydrophobicContact CE1-CZ 3.92Å; M96-F128 HydrophobicContact CB-CD2 4.07Å; M96-F128 HydrophobicContact CB-CE2 4.49Å; M96-F128 HydrophobicContact CE-CB 3.55Å; M96-F128 HydrophobicContact CE-CG 4.27Å; M96-F128 HydrophobicContact CG-CB 4.09Å; M96-F128 HydrophobicContact CG-CD1 4.27Å; M96-F128 HydrophobicContact CG-CD2 3.69Å; M96-F128 HydrophobicContact CG-CE2 4.15Å; M96-F128 HydrophobicContact CG-CG 3.75Å; M96-F128 HydrophobicContact SD-CB 4.23Å; M96-F128 HydrophobicContact SD-CG 4.44Å; F128-E130 HydrophobicContact CD1-CG 4.49Å; F128-E130 HydrophobicContact CE1-CG 3.51Å; F128-E130 HydrophobicContact CZ-CG 3.78Å; F128-T159 HydrophobicContact CD2-CG2 3.77Å; F128-T159 HydrophobicContact CE2-CG2 3.67Å; F128-Y161 HydrophobicContact CE2-CD2 4.05Å; F128-Y161 AromaticContact CE2-CE2 3.83Å; F128-Y161 HydrophobicContact CE2-CE2 3.83Å; F128-Y161 AromaticContact CZ-CD2 3.83Å; F128-Y161 HydrophobicContact CZ-CD2 3.83Å; F128-Y161 AromaticContact CZ-CE2 3.98Å; F128-Y161 HydrophobicContact CZ-CE2 3.98Å; F128-K467 CarbonylContact C-O 3.58Å; F128-K467 PolarHBondContact N-O 2.86Å; F128-H468 WeakPolarHBondContact O-CA 3.33Å; F128-S471 WeakPolarHBondContact CD1-OG 3.14Å; F128-F472 HydrophobicContact CD1-CE1 4.5Å; F128-F472 HydrophobicContact CE1-CD1 4.25Å; F128-F472 AromaticContact CE1-CE1 3.72Å; F128-F472 HydrophobicContact CE1-CE1 3.72Å; F128-F472 HydrophobicContact CZ-CE1 4.46Å; F128-L473 HydrophobicContact CB-CD1 4.22Å; F128-L473 HydrophobicContact CD1-CD1 3.84Å; F128-L473 HydrophobicContact CD1-CG 4.47Å; F128-L473 HydrophobicContact CG-CD1 4.41Å
129	S	96.5	Very high	86.5	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-130	136	173.1	171.3	0	0	0	0	109.5	S131 N155 A157 T159 F469	S129-S131 WeakPolarHBondContact OG-CB 3.36Å; S129-S131 PolarHBondContact OG-N 2.74Å; S129-S131 VanDerWaalsContact OG-N 3.13Å; S129-N155 VanDerWaalsContact CB-ND2 3.34Å; S129-N155 WeakPolarHBondContact CB-ND2 3.32Å; S129-N155 WeakPolarHBondContact CB-OD1 3.43Å; S129-N155 PolarHBondContact OG-ND2 2.79Å; S129-A157 PolarHBondContact N-O 3.28Å; S129-T159 WeakPolarHBondContact O-CB 3.45Å; S129-T159 WeakPolarHBondContact O-CG2 3.34Å; S129-T159 PolarHBondContact O-N 3.03Å; S129-T159 PolarHBondContact O-OG1 3.16Å; S129-F469 WeakPolarHBondContact CB-O 3.5Å; S129-F469 PolarHBondContact OG-O 3Å
130	E	96.3	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-80.6	-12.1	175.1	-53.8	177.5	78.4	0	0	111.4	F128 E160 Y161 S162 S285 I286 E470 S471 F472	F128-E130 HydrophobicContact CD1-CG 4.49Å; F128-E130 HydrophobicContact CE1-CG 3.51Å; F128-E130 HydrophobicContact CZ-CG 3.78Å; E130-E160 CarbonylContact O-C 3.55Å; E130-Y161 PolarHBondContact O-N 3.43Å; E130-Y161 VanDerWaalsContact O-N 3.1Å; E130-S162 WeakPolarHBondContact O-CB 3.45Å; E130-S162 PolarHBondContact O-N 3.42Å; E130-S162 PolarHBondContact O-OG 3.07Å; E130-S285 VanDerWaalsContact CD-OG 3.29Å; E130-S285 PolarHBondContact OE1-OG 3.34Å; E130-S285 WeakPolarHBondContact OE2-CA 3.47Å; E130-S285 VanDerWaalsContact OE2-CB 3.28Å; E130-S285 WeakPolarHBondContact OE2-CB 3.37Å; E130-S285 PolarHBondContact OE2-OG 3.04Å; E130-I286 WeakPolarHBondContact OE1-CB 3.44Å; E130-I286 WeakPolarHBondContact OE1-CG2 3.33Å; E130-I286 PolarHBondContact OE1-N 3.06Å; E130-E470 WeakPolarHBondContact CB-O 3.3Å; E130-E470 PolarHBondContact N-O 2.69Å; E130-S471 VanDerWaalsContact OE2-CA 3.26Å; E130-S471 WeakPolarHBondContact OE2-CA 3.39Å; E130-F472 HydrophobicContact CG-CD1 4.48Å; E130-F472 PolarHBondContact OE2-N 2.94Å
131	S	95.7	Very high	89	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-77.9	174.7	177.3	-154.3	0	0	0	0	111.5	S129 G158 T159 E160 E470	S129-S131 WeakPolarHBondContact OG-CB 3.36Å; S129-S131 PolarHBondContact OG-N 2.74Å; S129-S131 VanDerWaalsContact OG-N 3.13Å; S131-G158 CarbonylContact O-C 3.57Å; S131-G158 WeakPolarHBondContact O-CA 3.47Å; S131-T159 PolarHBondContact O-N 3.48Å; S131-T159 VanDerWaalsContact O-N 3.09Å; S131-E160 PolarHBondContact O-N 3.27Å; S131-E470 VanDerWaalsContact CB-OE2 3.25Å; S131-E470 WeakPolarHBondContact CB-OE2 3.27Å; S131-E470 PolarHBondContact OG-OE2 2.86Å
132	S	95.2	Very high	90.2	Very high	11 Å²	11	44.8 Å²	44.8	8%	0.077	22%	0.22	C	C	.	.			trans	-78.7	168.1	175.8	74.7	0	0	0	0	111	C134 P135 N155	S132-C134 PolarHBondContact O-N 2.8Å; S132-C134 PolarHBondContact OG-N 2.9Å; S132-C134 PolarHBondContact OG-O 3.04Å; S132-P135 WeakPolarHBondContact OG-CA 3.4Å; S132-N155 WeakPolarHBondContact O-CB 3.48Å; S132-N155 PolarHBondContact O-ND2 2.75Å
133	K	95.3	Very high	91	Very high	84 Å²	84	46.7 Å²	46.7	37%	0.365	23%	0.231	S	C	.	.	S	Bend	trans	-66.1	-21.7	175	-68.9	173.2	160	-134.5	0	113.4	Q153 N155	K133-Q153 VanDerWaalsContact CD-OE1 3.3Å; K133-N155 WeakPolarHBondContact CA-O 3.35Å; K133-N155 PolarHBondContact O-N 2.88Å
134	C	95.3	Very high	91.4	Very high	13 Å²	13	49.7 Å²	49.7	9%	0.088	25%	0.251	C	S	.	.	S	Bend	trans	-140.6	84.1	177.8	-162.6	0	0	0	0	108.5	S132 S137 C148	S132-C134 PolarHBondContact O-N 2.8Å; S132-C134 PolarHBondContact OG-N 2.9Å; S132-C134 PolarHBondContact OG-O 3.04Å; C134-S137 WeakPolarHBondContact O-CB 3.26Å; C134-S137 PolarHBondContact O-OG 2.8Å; C134-C148 HydrophobicContact CB-CB 3.66Å; C134-C148 WeakPolarHBondContact CB-SG 3.36Å; C134-C148 WeakPolarHBondContact SG-CB 3.46Å; C134-C148 CovalentContact SG-SG 2.04Å; C134-C148 PolarHBondContact SG-SG 2.88Å
135	P	94.8	Very high	92	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	153.4	-178	-25.4	34.8	0	0	0	112.3	S132 S137 P436 I437 F464 F469	S132-P135 WeakPolarHBondContact OG-CA 3.4Å; P135-S137 PolarHBondContact O-N 3.38Å; P135-P436 VanDerWaalsContact O-CB 3.3Å; P135-P436 WeakPolarHBondContact O-CB 3.2Å; P135-I437 HydrophobicContact CB-CG2 4.14Å; P135-I437 HydrophobicContact CG-CG2 4.38Å; P135-F464 HydrophobicContact CG-CE2 4.38Å; P135-F469 HydrophobicContact CB-CE1 4.34Å; P135-F469 HydrophobicContact CG-CD1 4.46Å; P135-F469 HydrophobicContact CG-CE1 3.57Å; P135-F469 HydrophobicContact CG-CZ 4.11Å
136	N	93.5	Very high	92.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.011	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	17.5	176.8	-60.8	-19.5	0	0	0	116.9	L138 Y139 S140 E334 A335 D337 F338 P436	N136-L138 PolarHBondContact O-N 3.49Å; N136-Y139 PolarHBondContact O-N 2.86Å; N136-S140 PolarHBondContact O-N 3.11Å; N136-E334 PolarHBondContact ND2-O 2.78Å; N136-A335 PolarHBondContact OD1-O 3.47Å; N136-D337 PolarHBondContact OD1-N 3.02Å; N136-F338 HydrophobicContact CB-CD2 4Å; N136-F338 HydrophobicContact CB-CE1 4.33Å; N136-F338 HydrophobicContact CB-CE2 3.43Å; N136-F338 VanDerWaalsContact CB-CE2 3.43Å; N136-F338 HydrophobicContact CB-CZ 3.64Å; N136-F338 WeakPolarHBondContact ND2-CE1 3.36Å; N136-P436 WeakPolarHBondContact CB-O 3.33Å
137	S	90.7	Very high	92.8	Very high	30 Å²	30	39.5 Å²	39.5	21%	0.21	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-61.5	-24.1	-172.1	46.2	0	0	0	0	114.3	C134 P135 Y139 C148	C134-S137 WeakPolarHBondContact O-CB 3.26Å; C134-S137 PolarHBondContact O-OG 2.8Å; P135-S137 PolarHBondContact O-N 3.38Å; S137-Y139 VanDerWaalsContact C-N 3.3Å; S137-Y139 PolarHBondContact O-N 3.42Å; S137-C148 WeakPolarHBondContact CB-SG 3.35Å
138	L	89.1	Confident	92.8	Very high	132 Å²	132	38.1 Å²	38.1	69%	0.691	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-66.5	-29.9	177.3	-74.7	161.6	0	0	0	113.4	N136	N136-L138 PolarHBondContact O-N 3.49Å
139	Y	91	Very high	92.6	Very high	60 Å²	60	43.7 Å²	43.7	24%	0.235	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-119.7	21.5	-176	-61.6	-87.5	0	0	0	111.8	N136 S137 D337 A634 P635	N136-Y139 PolarHBondContact O-N 2.86Å; S137-Y139 VanDerWaalsContact C-N 3.3Å; S137-Y139 PolarHBondContact O-N 3.42Å; Y139-D337 HydrophobicContact CD2-CB 3.31Å; Y139-D337 HydrophobicContact CE2-CB 3.61Å; Y139-D337 VanDerWaalsContact CE2-CG 3.42Å; Y139-D337 VanDerWaalsContact CE2-OD2 3.29Å; Y139-D337 WeakPolarHBondContact CE2-OD2 3.42Å; Y139-D337 HydrophobicContact CG-CB 4.07Å; Y139-A634 HydrophobicContact CE1-CB 3.56Å; Y139-P635 HydrophobicContact CE1-CB 4.38Å; Y139-P635 HydrophobicContact CE2-CB 4.49Å
140	S	90.9	Very high	92.1	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.063	25%	0.245	C	C	.	.			trans	-64.2	150.8	175	177.3	0	0	0	0	111.4	N136 Y142 Q147 Q441 Q445	N136-S140 PolarHBondContact O-N 3.11Å; S140-Y142 PolarHBondContact O-N 3.08Å; S140-Y142 PolarHBondContact OG-N 3.21Å; S140-Y142 VanDerWaalsContact OG-N 3.12Å; S140-Q147 PolarHBondContact OG-OE1 3.29Å; S140-Q147 VanDerWaalsContact OG-OE1 3.07Å; S140-Q441 PolarHBondContact OG-OE1 3.45Å; S140-Q445 PolarHBondContact O-NE2 3.1Å
141	A	92.1	Very high	91.7	Very high	35 Å²	35	51.6 Å²	51.6	29%	0.289	28%	0.282	S	S	.	.	S	Bend	trans	-60.4	-23.4	167.5	0	0	0	0	0	113.4	Q441 Q445	A141-Q441 HydrophobicContact CB-CB 3.76Å; A141-Q441 HydrophobicContact CB-CG 4.23Å; A141-Q445 VanDerWaalsContact CA-NE2 3.27Å; A141-Q445 HydrophobicContact CB-CG 3.84Å
142	Y	93.1	Very high	91.5	Very high	19 Å²	19	55 Å²	55	8%	0.075	30%	0.302	C	S	.	.	S	Bend	trans	-109.8	158.8	-172.2	-50.5	-86.7	0	0	0	110.4	S140 D392 P433 L434 Q441	S140-Y142 PolarHBondContact O-N 3.08Å; S140-Y142 PolarHBondContact OG-N 3.21Å; S140-Y142 VanDerWaalsContact OG-N 3.12Å; Y142-D392 VanDerWaalsContact CE1-OD1 3.22Å; Y142-D392 WeakPolarHBondContact CE1-OD1 3.14Å; Y142-D392 WeakPolarHBondContact OH-CB 3.25Å; Y142-D392 PolarHBondContact OH-OD1 3.23Å; Y142-P433 HydrophobicContact CD1-CB 3.91Å; Y142-P433 HydrophobicContact CD2-CB 3.62Å; Y142-P433 HydrophobicContact CE1-CB 3.98Å; Y142-P433 HydrophobicContact CE2-CB 3.66Å; Y142-P433 HydrophobicContact CG-CB 3.73Å; Y142-L434 HydrophobicContact CE2-CB 4.14Å; Y142-L434 PolarHBondContact OH-N 3.33Å; Y142-Q441 HydrophobicContact CE2-CG 4.11Å
143	N	91.6	Very high	91.4	Very high	118 Å²	118	58 Å²	58	63%	0.631	32%	0.315	S	S	*	.			trans	-62.1	146.2	171.6	-73.8	-40.6	0	0	0	110.1	T145 E146 Q147	N143-T145 PolarHBondContact O-N 3.41Å; N143-T145 VanDerWaalsContact O-N 3.1Å; N143-E146 HydrophobicContact CB-CB 4.37Å; N143-E146 WeakPolarHBondContact O-CA 3.37Å; N143-E146 WeakPolarHBondContact O-CB 3.41Å; N143-E146 PolarHBondContact O-N 3.34Å; N143-Q147 PolarHBondContact O-N 2.87Å
144	V	88.8	Confident	91.4	Very high	84 Å²	84	54.3 Å²	54.3	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-53.9	-37.6	-178.1	179.1	0	0	0	0	112.3	C148	V144-C148 WeakPolarHBondContact O-CB 3.43Å; V144-C148 PolarHBondContact O-N 2.89Å
145	T	89.7	Confident	91.4	Very high	97 Å²	97	53.8 Å²	53.8	60%	0.595	30%	0.295	S	S	*	.	H	α-helix	trans	-66.6	-39.6	175.3	52.5	0	0	0	0	112.2	N143 D149	N143-T145 PolarHBondContact O-N 3.41Å; N143-T145 VanDerWaalsContact O-N 3.1Å; T145-D149 WeakPolarHBondContact O-CA 3.27Å; T145-D149 WeakPolarHBondContact O-CB 3.28Å; T145-D149 PolarHBondContact O-N 2.89Å
146	E	90.5	Very high	91.4	Very high	73 Å²	73	57.4 Å²	57.4	34%	0.341	32%	0.319	S	S	.	.	H	α-helix	trans	-69.4	-41.7	177.7	-173.5	177	-175	0	0	111.2	N143 K394	N143-E146 HydrophobicContact CB-CB 4.37Å; N143-E146 WeakPolarHBondContact O-CA 3.37Å; N143-E146 WeakPolarHBondContact O-CB 3.41Å; N143-E146 PolarHBondContact O-N 3.34Å; E146-K394 IonicContact OE1-NZ 2.85Å; E146-K394 PolarHBondContact OE1-NZ 2.93Å
147	Q	91.8	Very high	91.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-73.4	-39.2	-179	-171.9	65.2	58.2	0	0	113.3	S140 N143 W154 L434 P436	S140-Q147 PolarHBondContact OG-OE1 3.29Å; S140-Q147 VanDerWaalsContact OG-OE1 3.07Å; N143-Q147 PolarHBondContact O-N 2.87Å; Q147-W154 PolarHBondContact O-NE1 3.49Å; Q147-L434 PolarHBondContact NE2-O 3.08Å; Q147-L434 PolarHBondContact OE1-O 2.82Å; Q147-P436 HydrophobicContact CG-CB 4.16Å
148	C	92.2	Very high	91.8	Very high	31 Å²	31	57.1 Å²	57.1	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-118.9	-21.9	-164.2	-50.9	0	0	0	0	114.8	C134 S137 V144 L150	C134-C148 HydrophobicContact CB-CB 3.66Å; C134-C148 WeakPolarHBondContact CB-SG 3.36Å; C134-C148 WeakPolarHBondContact SG-CB 3.46Å; C134-C148 CovalentContact SG-SG 2.04Å; C134-C148 PolarHBondContact SG-SG 2.88Å; S137-C148 WeakPolarHBondContact CB-SG 3.35Å; V144-C148 WeakPolarHBondContact O-CB 3.43Å; V144-C148 PolarHBondContact O-N 2.89Å; C148-L150 PolarHBondContact O-N 2.92Å; C148-L150 VanDerWaalsContact O-N 3.12Å
149	D	90.4	Very high	92.1	Very high	120 Å²	120	52 Å²	52	64%	0.642	29%	0.293	S	S	*	.			trans	-89.2	61.4	176.7	-163	18.2	0	0	0	110.6	T145	T145-D149 WeakPolarHBondContact O-CA 3.27Å; T145-D149 WeakPolarHBondContact O-CB 3.28Å; T145-D149 PolarHBondContact O-N 2.89Å
150	L	87.2	Confident	92.3	Very high	23 Å²	23	53.5 Å²	53.5	12%	0.12	30%	0.303	C	S	.	.	S	Bend	trans	-102	156	177.7	-58.9	178.4	0	0	0	109.8	C148 T152 W154 L432 P462	C148-L150 PolarHBondContact O-N 2.92Å; C148-L150 VanDerWaalsContact O-N 3.12Å; L150-T152 WeakPolarHBondContact CB-O 3.44Å; L150-T152 PolarHBondContact O-N 3.32Å; L150-T152 VanDerWaalsContact O-N 3.09Å; L150-W154 HydrophobicContact CD1-CZ2 4.31Å; L150-L432 HydrophobicContact CD1-CD2 4.33Å; L150-L432 HydrophobicContact CD2-CD2 4.09Å; L150-P462 HydrophobicContact CD1-CG 3.72Å
151	D	87.4	Confident	92.6	Very high	143 Å²	143	53.4 Å²	53.4	77%	0.765	30%	0.301	S	S	*	.	S	Bend	trans	-56.1	-32	177.9	-55.4	-26.1	0	0	0	111.7	R430	D151-R430 IonicContact OD1-CZ 3.46Å; D151-R430 IonicContact OD1-NH1 3.23Å; D151-R430 PolarHBondContact OD1-NH1 3.09Å; D151-R430 IonicContact OD2-NH1 3.97Å; D151-R430 PolarHBondContact OD2-NH1 2.89Å
152	T	90.3	Very high	92.7	Very high	71 Å²	71	52.1 Å²	52.1	44%	0.436	29%	0.29	S	S	.	.	S	Bend	trans	-125.2	130.9	174.4	-53.4	0	0	0	0	109.8	L150 P462 P463	L150-T152 WeakPolarHBondContact CB-O 3.44Å; L150-T152 PolarHBondContact O-N 3.32Å; L150-T152 VanDerWaalsContact O-N 3.09Å; T152-P462 HydrophobicContact CG2-CB 4.27Å; T152-P462 VanDerWaalsContact O-CB 3.25Å; T152-P462 WeakPolarHBondContact O-CB 3.5Å; T152-P463 HydrophobicContact CG2-CB 4.39Å; T152-P463 HydrophobicContact CG2-CG 4.4Å
153	Q	93.1	Very high	92.7	Very high	74 Å²	74	53.9 Å²	53.9	35%	0.346	30%	0.297	S	S	.	.			trans	-71.7	146.6	178.2	-61.3	-174.6	-35.6	0	0	111.4	K133 P463	K133-Q153 VanDerWaalsContact CD-OE1 3.3Å; Q153-P463 WeakPolarHBondContact O-CB 3.46Å
154	W	95.1	Very high	92.9	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.027	27%	0.273	C	S	.	.	S	Bend	trans	-59	-50	175.7	-74.3	105.5	0	0	0	112.2	Q147 L150 P156 P435 P436 Y459 P462 P463 F464	Q147-W154 PolarHBondContact O-NE1 3.49Å; L150-W154 HydrophobicContact CD1-CZ2 4.31Å; W154-P156 WeakPolarHBondContact O-CD 3.46Å; W154-P435 HydrophobicContact CH2-CB 4.08Å; W154-P435 HydrophobicContact CH2-CG 4.05Å; W154-P435 HydrophobicContact CZ3-CB 4.03Å; W154-P435 HydrophobicContact CZ3-CG 4.19Å; W154-P436 HydrophobicContact CB-CG 3.96Å; W154-P436 HydrophobicContact CD2-CG 3.95Å; W154-P436 VanDerWaalsContact CE2-CD 3.42Å; W154-P436 HydrophobicContact CG-CG 3.59Å; W154-Y459 HydrophobicContact CZ3-CD2 4.26Å; W154-Y459 AromaticContact CZ3-CE2 3.74Å; W154-Y459 HydrophobicContact CZ3-CE2 3.74Å; W154-P462 HydrophobicContact CD2-CB 4.14Å; W154-P462 HydrophobicContact CD2-CG 3.63Å; W154-P462 HydrophobicContact CE3-CB 4.05Å; W154-P462 HydrophobicContact CE3-CG 3.72Å; W154-P462 HydrophobicContact CG-CG 4.25Å; W154-P462 HydrophobicContact CH2-CG 3.91Å; W154-P462 HydrophobicContact CZ2-CG 3.81Å; W154-P462 HydrophobicContact CZ3-CB 4.45Å; W154-P462 HydrophobicContact CZ3-CG 3.85Å; W154-P463 CarbonylContact O-C 3.57Å; W154-P463 WeakPolarHBondContact O-CA 3.34Å; W154-F464 HydrophobicContact CB-CE2 4.15Å; W154-F464 HydrophobicContact CB-CZ 4.1Å; W154-F464 HydrophobicContact CD2-CE1 4.33Å; W154-F464 HydrophobicContact CD2-CZ 4.48Å; W154-F464 HydrophobicContact CE3-CD1 4Å; W154-F464 AromaticContact CE3-CE1 3.49Å; W154-F464 HydrophobicContact CE3-CE1 3.49Å; W154-F464 VanDerWaalsContact CE3-CE1 3.49Å; W154-F464 HydrophobicContact CE3-CZ 4.05Å; W154-F464 HydrophobicContact CZ3-CE1 4.08Å; W154-F464 PolarHBondContact O-N 3.21Å
155	N	96.5	Very high	93.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.011	27%	0.265	C	S	.	.			trans	-122.6	81	179.6	179.3	18.9	0	0	0	110.6	S129 S132 K133 A157 G158 F464	S129-N155 VanDerWaalsContact CB-ND2 3.34Å; S129-N155 WeakPolarHBondContact CB-ND2 3.32Å; S129-N155 WeakPolarHBondContact CB-OD1 3.43Å; S129-N155 PolarHBondContact OG-ND2 2.79Å; S132-N155 WeakPolarHBondContact O-CB 3.48Å; S132-N155 PolarHBondContact O-ND2 2.75Å; K133-N155 WeakPolarHBondContact CA-O 3.35Å; K133-N155 PolarHBondContact O-N 2.88Å; N155-A157 PolarHBondContact O-N 2.78Å; N155-A157 VanDerWaalsContact O-N 3.14Å; N155-G158 WeakPolarHBondContact ND2-CA 3.25Å; N155-G158 PolarHBondContact O-N 2.94Å; N155-G158 PolarHBondContact OD1-N 3.44Å; N155-F464 HydrophobicContact CB-CD2 4.17Å; N155-F464 HydrophobicContact CB-CE2 4.39Å
156	P	95.5	Very high	93.5	Very high	76 Å²	76	43.5 Å²	43.5	49%	0.494	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.2	-177.2	25.7	-34.1	0	0	0	113.1	W154 G158 P463	W154-P156 WeakPolarHBondContact O-CD 3.46Å; P156-G158 VanDerWaalsContact C-N 3.29Å; P156-P463 HydrophobicContact CG-CB 3.83Å
157	A	95.1	Very high	93.7	Very high	18 Å²	18	44.1 Å²	44.1	15%	0.149	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.3	176.6	0	0	0	0	0	113.8	A127 S129 N155 T159	A127-A157 HydrophobicContact CB-CB 3.82Å; S129-A157 PolarHBondContact N-O 3.28Å; N155-A157 PolarHBondContact O-N 2.78Å; N155-A157 VanDerWaalsContact O-N 3.14Å; A157-T159 PolarHBondContact O-N 3.49Å
158	G	96.2	Very high	93.9	Very high	8 Å²	8	44.2 Å²	44.2	8%	0.082	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-63.5	121	-177.4	0	0	0	0	0	112.8	S131 N155 P156	S131-G158 CarbonylContact O-C 3.57Å; S131-G158 WeakPolarHBondContact O-CA 3.47Å; N155-G158 WeakPolarHBondContact ND2-CA 3.25Å; N155-G158 PolarHBondContact O-N 2.94Å; N155-G158 PolarHBondContact OD1-N 3.44Å; P156-G158 VanDerWaalsContact C-N 3.29Å
159	T	96.1	Very high	94.2	Very high	23 Å²	23	42.8 Å²	42.8	14%	0.141	24%	0.239	C	C	.	.			trans	-103.6	-10.5	-179.9	63	0	0	0	0	114	T98 F128 S129 S131 A157 Y161	T98-T159 HydrophobicContact CG2-CG2 3.5Å; T98-T159 VanDerWaalsContact CG2-CG2 3.5Å; F128-T159 HydrophobicContact CD2-CG2 3.77Å; F128-T159 HydrophobicContact CE2-CG2 3.67Å; S129-T159 WeakPolarHBondContact O-CB 3.45Å; S129-T159 WeakPolarHBondContact O-CG2 3.34Å; S129-T159 PolarHBondContact O-N 3.03Å; S129-T159 PolarHBondContact O-OG1 3.16Å; S131-T159 PolarHBondContact O-N 3.48Å; S131-T159 VanDerWaalsContact O-N 3.09Å; A157-T159 PolarHBondContact O-N 3.49Å; T159-Y161 HydrophobicContact CG2-CE1 4.5Å; T159-Y161 WeakPolarHBondContact O-CD1 3.34Å; T159-Y161 PolarHBondContact O-N 2.99Å; T159-Y161 WeakPolarHBondContact OG1-CD1 3.4Å
160	E	95.3	Very high	94.5	Very high	93 Å²	93	37 Å²	37	44%	0.435	21%	0.208	S	C	.	.			trans	63.7	13.5	-176.2	-60.4	174.3	170.9	0	0	114.8	E130 S131 S162 Y163 I164	E130-E160 CarbonylContact O-C 3.55Å; S131-E160 PolarHBondContact O-N 3.27Å; E160-S162 PolarHBondContact O-N 3.32Å; E160-S162 VanDerWaalsContact O-N 3.13Å; E160-Y163 WeakPolarHBondContact O-CA 3.5Å; E160-Y163 PolarHBondContact O-N 3.35Å; E160-I164 HydrophobicContact CB-CD1 4.35Å; E160-I164 WeakPolarHBondContact O-CD1 3.49Å; E160-I164 VanDerWaalsContact O-CG1 3.3Å; E160-I164 WeakPolarHBondContact O-CG1 3.42Å; E160-I164 PolarHBondContact O-N 3.05Å
161	Y	96.5	Very high	95	Very high	7 Å²	7	36 Å²	36	3%	0.027	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.9	-33.5	-177	-76.2	10.2	0	0	0	113.6	F95 T98 M101 F128 E130 T159 Y163 I164 W166	F95-Y161 HydrophobicContact CD1-CD2 4.48Å; F95-Y161 HydrophobicContact CD1-CE2 4.17Å; F95-Y161 HydrophobicContact CD2-CE2 4.4Å; F95-Y161 AromaticContact CE1-CD2 3.67Å; F95-Y161 HydrophobicContact CE1-CD2 3.67Å; F95-Y161 AromaticContact CE1-CE2 3.79Å; F95-Y161 HydrophobicContact CE1-CE2 3.79Å; F95-Y161 HydrophobicContact CE2-CD2 4.16Å; F95-Y161 HydrophobicContact CE2-CE2 4.04Å; F95-Y161 HydrophobicContact CG-CE2 4.47Å; F95-Y161 AromaticContact CZ-CD2 3.48Å; F95-Y161 HydrophobicContact CZ-CD2 3.48Å; F95-Y161 VanDerWaalsContact CZ-CD2 3.48Å; F95-Y161 AromaticContact CZ-CE2 3.73Å; F95-Y161 HydrophobicContact CZ-CE2 3.73Å; F95-Y161 WeakPolarHBondContact O-CE2 3.21Å; F95-Y161 PolarHBondContact O-OH 3.27Å; T98-Y161 WeakPolarHBondContact CA-OH 3.12Å; T98-Y161 HydrophobicContact CG2-CE1 4.34Å; M101-Y161 HydrophobicContact CB-CE1 4.3Å; M101-Y161 VanDerWaalsContact CB-OH 3.31Å; M101-Y161 WeakPolarHBondContact CB-OH 3.18Å; M101-Y161 HydrophobicContact CG-CE2 4.06Å; M101-Y161 WeakPolarHBondContact CG-OH 3.32Å; F128-Y161 HydrophobicContact CE2-CD2 4.05Å; F128-Y161 AromaticContact CE2-CE2 3.83Å; F128-Y161 HydrophobicContact CE2-CE2 3.83Å; F128-Y161 AromaticContact CZ-CD2 3.83Å; F128-Y161 HydrophobicContact CZ-CD2 3.83Å; F128-Y161 AromaticContact CZ-CE2 3.98Å; F128-Y161 HydrophobicContact CZ-CE2 3.98Å; E130-Y161 PolarHBondContact O-N 3.43Å; E130-Y161 VanDerWaalsContact O-N 3.1Å; T159-Y161 HydrophobicContact CG2-CE1 4.5Å; T159-Y161 WeakPolarHBondContact O-CD1 3.34Å; T159-Y161 PolarHBondContact O-N 2.99Å; T159-Y161 WeakPolarHBondContact OG1-CD1 3.4Å; Y161-Y163 VanDerWaalsContact C-N 3.31Å; Y161-I164 HydrophobicContact CD1-CD1 4.37Å; Y161-W166 HydrophobicContact CD1-CZ2 4.16Å; Y161-W166 HydrophobicContact CD2-CZ2 4.43Å; Y161-W166 HydrophobicContact CG-CZ2 4.09Å; Y161-W166 PolarHBondContact O-NE1 2.86Å
162	S	94.2	Very high	95.4	Very high	7 Å²	7	29.3 Å²	29.3	5%	0.049	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-76.9	-12.3	175.6	63	0	0	0	0	114.6	E130 E160	E130-S162 WeakPolarHBondContact O-CB 3.45Å; E130-S162 PolarHBondContact O-N 3.42Å; E130-S162 PolarHBondContact O-OG 3.07Å; E160-S162 PolarHBondContact O-N 3.32Å; E160-S162 VanDerWaalsContact O-N 3.13Å
163	Y	93.6	Very high	95.6	Very high	56 Å²	56	25.9 Å²	25.9	22%	0.22	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-104.8	-1.4	179.2	-65.7	-92.8	0	0	0	113	V52 E160 Y161 R284	V52-Y163 VanDerWaalsContact CG1-O 3.23Å; V52-Y163 WeakPolarHBondContact CG1-O 3.47Å; E160-Y163 WeakPolarHBondContact O-CA 3.5Å; E160-Y163 PolarHBondContact O-N 3.35Å; Y161-Y163 VanDerWaalsContact C-N 3.31Å; Y163-R284 VanDerWaalsContact CE1-NH1 3.29Å; Y163-R284 VanDerWaalsContact CZ-NH1 3.29Å; Y163-R284 PolarHBondContact OH-NH1 3.09Å; Y163-R284 VanDerWaalsContact OH-NH1 3.12Å
164	I	94.6	Very high	95.4	Very high	28 Å²	28	24.5 Å²	24.5	14%	0.144	14%	0.142	C	C	.	.	S	Bend	trans	-96.4	137.4	-177.5	-70.7	163.4	0	0	0	110.3	G53 E160 Y161 W166	G53-I164 PolarHBondContact N-O 3.11Å; E160-I164 HydrophobicContact CB-CD1 4.35Å; E160-I164 WeakPolarHBondContact O-CD1 3.49Å; E160-I164 VanDerWaalsContact O-CG1 3.3Å; E160-I164 WeakPolarHBondContact O-CG1 3.42Å; E160-I164 PolarHBondContact O-N 3.05Å; Y161-I164 HydrophobicContact CD1-CD1 4.37Å; I164-W166 HydrophobicContact CG2-CD2 4.39Å; I164-W166 HydrophobicContact CG2-CG 4.35Å
165	S	96	Very high	94.9	Very high	49 Å²	49	24.3 Å²	24.3	34%	0.343	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-81	114.8	162	-174.2	0	0	0	0	109.4	Q51	Q51-S165 PolarHBondContact NE2-OG 3.35Å
166	W	96	Very high	94.1	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.019	16%	0.157	C	C	.	.			trans	-86.6	138.9	177.6	-66.6	82	0	0	0	110.8	G53 C54 M101 Y161 I164 F168 V170 I286	G53-W166 PolarHBondContact O-N 3.18Å; C54-W166 HydrophobicContact CB-CB 4.29Å; M101-W166 HydrophobicContact CB-CH2 4.03Å; M101-W166 HydrophobicContact CG-CH2 4.37Å; M101-W166 HydrophobicContact SD-CH2 4.45Å; Y161-W166 HydrophobicContact CD1-CZ2 4.16Å; Y161-W166 HydrophobicContact CD2-CZ2 4.43Å; Y161-W166 HydrophobicContact CG-CZ2 4.09Å; Y161-W166 PolarHBondContact O-NE1 2.86Å; I164-W166 HydrophobicContact CG2-CD2 4.39Å; I164-W166 HydrophobicContact CG2-CG 4.35Å; W166-F168 VanDerWaalsContact C-N 3.27Å; W166-F168 AromaticContact CE3-CE2 4Å; W166-F168 HydrophobicContact CE3-CE2 4Å; W166-F168 HydrophobicContact CE3-CZ 4.04Å; W166-F168 HydrophobicContact CZ3-CE2 4.42Å; W166-F168 HydrophobicContact CZ3-CZ 4.29Å; W166-F168 PolarHBondContact O-N 3.09Å; W166-V170 HydrophobicContact CB-CG2 4.45Å; W166-V170 HydrophobicContact CD2-CG2 4.26Å; W166-V170 HydrophobicContact CE3-CG2 4.27Å; W166-V170 HydrophobicContact CG-CG2 4.35Å; W166-I286 HydrophobicContact CZ2-CD1 4.26Å; W166-I286 VanDerWaalsContact NE1-CD1 3.34Å
167	P	95.3	Very high	93.5	Very high	85 Å²	85	29.4 Å²	29.4	55%	0.552	17%	0.167	S	C	*	.	S	Bend	trans	-80.3	-8	-177.4	31.5	-34	0	0	0	113.6	R105	R105-P167 HydrophobicContact CG-CG 4.22Å
168	F	96.2	Very high	93.1	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.013	17%	0.17	C	C	.	.	S	Bend	trans	-138.6	160.3	179.7	48.7	-108.5	0	0	0	110.1	F104 I110 L113 W166 V170	F104-F168 HydrophobicContact CB-CZ 4.27Å; I110-F168 HydrophobicContact CB-CD1 4.19Å; I110-F168 HydrophobicContact CB-CE1 4.09Å; I110-F168 HydrophobicContact CG2-CD1 3.81Å; I110-F168 HydrophobicContact CG2-CD2 4.43Å; I110-F168 HydrophobicContact CG2-CE1 3.72Å; I110-F168 HydrophobicContact CG2-CE2 4.36Å; I110-F168 HydrophobicContact CG2-CG 4.19Å; I110-F168 HydrophobicContact CG2-CZ 4.02Å; L113-F168 HydrophobicContact CB-CD2 4.14Å; L113-F168 HydrophobicContact CB-CE2 3.68Å; L113-F168 HydrophobicContact CD2-CE2 4.3Å; W166-F168 VanDerWaalsContact C-N 3.27Å; W166-F168 AromaticContact CE3-CE2 4Å; W166-F168 HydrophobicContact CE3-CE2 4Å; W166-F168 HydrophobicContact CE3-CZ 4.04Å; W166-F168 HydrophobicContact CZ3-CE2 4.42Å; W166-F168 HydrophobicContact CZ3-CZ 4.29Å; W166-F168 PolarHBondContact O-N 3.09Å; F168-V170 HydrophobicContact CD2-CG2 4.02Å; F168-V170 HydrophobicContact CE2-CG2 3.94Å
169	P	97.6	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.			trans	-67.4	141.2	174.9	30.4	-39.4	0	0	0	112.2	N61 K111 G112 L113 I205 N207	N61-P169 HydrophobicContact CB-CG 3.91Å; K111-P169 VanDerWaalsContact O-CD 3.32Å; K111-P169 WeakPolarHBondContact O-CD 3Å; G112-P169 WeakPolarHBondContact CA-O 3.11Å; L113-P169 PolarHBondContact N-O 3.21Å; P169-I205 HydrophobicContact CB-CB 4.25Å; P169-I205 HydrophobicContact CB-CG2 3.8Å; P169-I205 HydrophobicContact CG-CB 3.91Å; P169-I205 HydrophobicContact CG-CD1 4.41Å; P169-I205 HydrophobicContact CG-CG2 4.04Å; P169-N207 WeakPolarHBondContact CB-OD1 3.38Å
170	V	97.5	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.5	177.8	-168.8	0	0	0	0	108.8	C42 F95 L113 V115 W166 F168 F287	C42-V170 HydrophobicContact CB-CB 4.04Å; C42-V170 VanDerWaalsContact CB-O 3.27Å; C42-V170 WeakPolarHBondContact CB-O 3.43Å; C42-V170 PolarHBondContact N-O 3.05Å; F95-V170 HydrophobicContact CE2-CG1 4.4Å; L113-V170 HydrophobicContact CB-CG1 4.11Å; L113-V170 HydrophobicContact CB-CG2 4.23Å; L113-V170 HydrophobicContact CD2-CG1 3.87Å; L113-V170 HydrophobicContact CD2-CG2 4.4Å; L113-V170 HydrophobicContact CG-CG1 4.07Å; L113-V170 VanDerWaalsContact O-CA 3.32Å; L113-V170 WeakPolarHBondContact O-CA 3.49Å; V115-V170 HydrophobicContact CG2-CG1 4.42Å; W166-V170 HydrophobicContact CB-CG2 4.45Å; W166-V170 HydrophobicContact CD2-CG2 4.26Å; W166-V170 HydrophobicContact CE3-CG2 4.27Å; W166-V170 HydrophobicContact CG-CG2 4.35Å; F168-V170 HydrophobicContact CD2-CG2 4.02Å; F168-V170 HydrophobicContact CE2-CG2 3.94Å; V170-F287 HydrophobicContact CG1-CE1 3.86Å; V170-F287 HydrophobicContact CG1-CZ 4.11Å
171	V	97	Very high	92.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.7	-177.7	-175.2	0	0	0	0	110.3	T39 F41 L113 I114 V115 V173 I205 L648	T39-V171 HydrophobicContact CG2-CG1 4.38Å; F41-V171 HydrophobicContact CD1-CG1 4.37Å; F41-V171 HydrophobicContact CD1-CG2 3.43Å; F41-V171 VanDerWaalsContact CD1-CG2 3.43Å; F41-V171 HydrophobicContact CE1-CG1 4.36Å; F41-V171 HydrophobicContact CE1-CG2 3.63Å; F41-V171 HydrophobicContact CG-CG2 4.26Å; L113-V171 PolarHBondContact O-N 3.16Å; I114-V171 CarbonylContact C-O 3.5Å; I114-V171 WeakPolarHBondContact CA-O 3.33Å; V115-V171 PolarHBondContact N-O 2.79Å; V171-V173 HydrophobicContact CG1-CG2 4.31Å; V171-I205 HydrophobicContact CG2-CD1 4.22Å; V171-I205 HydrophobicContact CG2-CG2 3.53Å; V171-L648 HydrophobicContact CG1-CD2 4.3Å
172	L	95.5	Very high	92.3	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.3	167.6	177.1	68.7	0	0	0	108.9	T39 S40 V115 T174 F287 F472	T39-L172 WeakPolarHBondContact CA-O 3.09Å; S40-L172 PolarHBondContact N-O 3.12Å; S40-L172 PolarHBondContact O-N 2.9Å; V115-L172 HydrophobicContact CB-CD1 4.14Å; V115-L172 HydrophobicContact CG1-CD1 4.01Å; V115-L172 CarbonylContact O-C 3.52Å; V115-L172 WeakPolarHBondContact O-CA 3.36Å; L172-T174 HydrophobicContact CD2-CG2 4.37Å; L172-T174 HydrophobicContact CG-CG2 4.37Å; L172-F287 HydrophobicContact CB-CB 4.34Å; L172-F287 HydrophobicContact CB-CD1 3.57Å; L172-F287 HydrophobicContact CB-CD2 3.77Å; L172-F287 HydrophobicContact CB-CE1 3.69Å; L172-F287 HydrophobicContact CB-CE2 3.9Å; L172-F287 HydrophobicContact CB-CG 3.62Å; L172-F287 HydrophobicContact CB-CZ 3.86Å; L172-F287 HydrophobicContact CD1-CE2 4.4Å; L172-F287 HydrophobicContact CD2-CB 4.36Å; L172-F287 HydrophobicContact CD2-CD2 3.81Å; L172-F287 HydrophobicContact CD2-CE2 4.35Å; L172-F287 HydrophobicContact CD2-CG 4.12Å; L172-F287 HydrophobicContact CG-CD2 4.29Å; L172-F287 HydrophobicContact CG-CE2 4.45Å; L172-F287 HydrophobicContact CG-CG 4.49Å; L172-F472 HydrophobicContact CD1-CD2 4.49Å; L172-F472 HydrophobicContact CD1-CE2 4.16Å; L172-F472 HydrophobicContact CD2-CB 4.41Å; L172-F472 HydrophobicContact CD2-CD2 3.87Å; L172-F472 HydrophobicContact CD2-CE2 4.35Å; L172-F472 HydrophobicContact CD2-CG 4.17Å
173	V	94.3	Very high	92.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.4	174.6	-175.1	0	0	0	0	108.1	V34 Y38 T39 I114 V115 F116 S117 V171 I180 L648	V34-V173 HydrophobicContact CG1-CG1 4.31Å; Y38-V173 WeakPolarHBondContact O-CA 3.42Å; T39-V173 HydrophobicContact CG2-CG2 4.32Å; I114-V173 HydrophobicContact CG2-CG2 3.68Å; V115-V173 PolarHBondContact O-N 3.37Å; F116-V173 WeakPolarHBondContact CA-O 3.08Å; F116-V173 HydrophobicContact CD1-CB 3.91Å; F116-V173 HydrophobicContact CD1-CG1 3.95Å; F116-V173 HydrophobicContact CE1-CB 3.85Å; F116-V173 HydrophobicContact CE1-CG1 3.56Å; F116-V173 HydrophobicContact CG-CB 4.36Å; F116-V173 HydrophobicContact CZ-CB 4.24Å; F116-V173 HydrophobicContact CZ-CG1 4.17Å; F116-V173 HydrophobicContact CZ-CG2 4.43Å; S117-V173 PolarHBondContact N-O 3.14Å; V171-V173 HydrophobicContact CG1-CG2 4.31Å; V173-I180 HydrophobicContact CG1-CD1 4.4Å; V173-I180 HydrophobicContact CG1-CG2 4.41Å; V173-L648 HydrophobicContact CG2-CD2 3.71Å
174	T	89.1	Confident	92.3	Very high	44 Å²	44	36 Å²	36	27%	0.27	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	104.4	174.9	54.4	0	0	0	0	108.3	Y38 L172	Y38-T174 WeakPolarHBondContact CD1-O 3.47Å; Y38-T174 PolarHBondContact O-N 3.17Å; Y38-T174 PolarHBondContact O-OG1 3.46Å; L172-T174 HydrophobicContact CD2-CG2 4.37Å; L172-T174 HydrophobicContact CG-CG2 4.37Å
175	D	86	Confident	92.2	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	22%	0.215	C	C	.	.			trans	-118.4	87.4	-175.7	-175.6	11.2	0	0	0	110.4	F116 S117 N177 N178 T179 I180 W181	F116-D175 HydrophobicContact CD1-CB 4.29Å; F116-D175 HydrophobicContact CE1-CB 4.44Å; S117-D175 PolarHBondContact O-N 3.28Å; D175-N177 PolarHBondContact O-N 2.87Å; D175-N178 VanDerWaalsContact CG-CA 3.44Å; D175-N178 PolarHBondContact O-N 3.13Å; D175-N178 PolarHBondContact OD1-N 3.1Å; D175-N178 WeakPolarHBondContact OD2-CA 3.43Å; D175-T179 PolarHBondContact OD1-N 2.94Å; D175-T179 PolarHBondContact OD2-N 3.11Å; D175-I180 HydrophobicContact CB-CB 4.49Å; D175-I180 HydrophobicContact CB-CD1 4.45Å; D175-I180 WeakPolarHBondContact OD2-CA 3.31Å; D175-I180 WeakPolarHBondContact OD2-CB 3.23Å; D175-I180 PolarHBondContact OD2-N 3.44Å; D175-W181 PolarHBondContact OD2-N 2.65Å
176	V	78.9	Confident	92.1	Very high	55 Å²	55	40.8 Å²	40.8	33%	0.333	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.8	-174.1	-177.7	0	0	0	0	112.3
177	N	83.6	Confident	92	Very high	130 Å²	130	41.6 Å²	41.6	70%	0.695	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	7.8	-175	-67.8	-12.3	0	0	0	113	D175 T179	D175-N177 PolarHBondContact O-N 2.87Å; N177-T179 HydrophobicContact CB-CG2 3.87Å; N177-T179 PolarHBondContact O-N 3.42Å
178	N	86.5	Confident	91.9	Very high	40 Å²	40	38.5 Å²	38.5	21%	0.214	21%	0.209	C	C	.	.	S	Bend	trans	52.9	23.1	-175	-66.9	-49	0	0	0	114.8	N118 D175 T182	N118-N178 PolarHBondContact ND2-ND2 2.83Å; N118-N178 VanDerWaalsContact ND2-ND2 3.13Å; D175-N178 VanDerWaalsContact CG-CA 3.44Å; D175-N178 PolarHBondContact O-N 3.13Å; D175-N178 PolarHBondContact OD1-N 3.1Å; D175-N178 WeakPolarHBondContact OD2-CA 3.43Å; N178-T182 VanDerWaalsContact O-CB 3.3Å; N178-T182 WeakPolarHBondContact O-CB 3.22Å; N178-T182 PolarHBondContact O-N 2.86Å; N178-T182 PolarHBondContact O-OG1 3.38Å
179	T	90.7	Very high	91.7	Very high	83 Å²	83	40.5 Å²	40.5	51%	0.509	22%	0.224	S	C	.	.	H	α-helix	trans	-76.5	-37.8	-175.8	54.9	0	0	0	0	112.1	D175 N177 S183	D175-T179 PolarHBondContact OD1-N 2.94Å; D175-T179 PolarHBondContact OD2-N 3.11Å; N177-T179 HydrophobicContact CB-CG2 3.87Å; N177-T179 PolarHBondContact O-N 3.42Å; T179-S183 WeakPolarHBondContact O-CB 3.35Å; T179-S183 PolarHBondContact O-N 3.25Å; T179-S183 VanDerWaalsContact O-N 3.14Å; T179-S183 PolarHBondContact O-OG 3.46Å
180	I	91.8	Very high	91.4	Very high	17 Å²	17	46.3 Å²	46.3	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-72.4	-44.7	177.2	-60.6	158.6	0	0	0	108.8	V34 Y38 F116 V173 D175 T182 S183 M184	V34-I180 HydrophobicContact CG1-CD1 3.96Å; V34-I180 HydrophobicContact CG1-CG2 4.22Å; V34-I180 HydrophobicContact CG2-CG2 3.92Å; Y38-I180 HydrophobicContact CD2-CD1 4.29Å; Y38-I180 HydrophobicContact CG-CD1 4.22Å; F116-I180 HydrophobicContact CE1-CB 4.4Å; F116-I180 HydrophobicContact CE1-CG2 4.06Å; F116-I180 HydrophobicContact CZ-CG2 4.2Å; V173-I180 HydrophobicContact CG1-CD1 4.4Å; V173-I180 HydrophobicContact CG1-CG2 4.41Å; D175-I180 HydrophobicContact CB-CB 4.49Å; D175-I180 HydrophobicContact CB-CD1 4.45Å; D175-I180 WeakPolarHBondContact OD2-CA 3.31Å; D175-I180 WeakPolarHBondContact OD2-CB 3.23Å; D175-I180 PolarHBondContact OD2-N 3.44Å; I180-T182 PolarHBondContact O-N 3.25Å; I180-S183 PolarHBondContact O-N 2.04Å; I180-M184 WeakPolarHBondContact O-CB 3.3Å; I180-M184 PolarHBondContact O-N 3.27Å
181	W	91.5	Very high	91.2	Very high	71 Å²	71	46.9 Å²	46.9	27%	0.269	26%	0.255	S	S	.	.	H	α-helix	trans	-55	-51.8	174.5	173.5	-93.6	0	0	0	111.2	F67 V89 F116 D175 S183 M184 H185	F67-W181 AromaticContact CD1-CH2 3.68Å; F67-W181 HydrophobicContact CD1-CH2 3.68Å; F67-W181 HydrophobicContact CD1-CZ2 4.07Å; F67-W181 AromaticContact CD1-CZ3 3.97Å; F67-W181 HydrophobicContact CD1-CZ3 3.97Å; F67-W181 HydrophobicContact CE1-CD2 4.44Å; F67-W181 AromaticContact CE1-CE3 3.99Å; F67-W181 HydrophobicContact CE1-CE3 3.99Å; F67-W181 AromaticContact CE1-CH2 3.91Å; F67-W181 HydrophobicContact CE1-CH2 3.91Å; F67-W181 HydrophobicContact CE1-CZ2 4.33Å; F67-W181 AromaticContact CE1-CZ3 3.72Å; F67-W181 HydrophobicContact CE1-CZ3 3.72Å; V89-W181 HydrophobicContact CG1-CE3 4.48Å; V89-W181 HydrophobicContact CG1-CZ3 3.77Å; F116-W181 HydrophobicContact CB-CE3 3.88Å; F116-W181 HydrophobicContact CB-CZ3 4.06Å; F116-W181 HydrophobicContact CD1-CB 4.2Å; F116-W181 AromaticContact CD1-CE3 3.91Å; F116-W181 HydrophobicContact CD1-CE3 3.91Å; F116-W181 AromaticContact CD2-CE3 3.52Å; F116-W181 HydrophobicContact CD2-CE3 3.52Å; F116-W181 AromaticContact CD2-CZ3 3.7Å; F116-W181 HydrophobicContact CD2-CZ3 3.7Å; F116-W181 HydrophobicContact CE1-CB 4.1Å; F116-W181 HydrophobicContact CE1-CE3 4.29Å; F116-W181 AromaticContact CE2-CE3 3.93Å; F116-W181 HydrophobicContact CE2-CE3 3.93Å; F116-W181 HydrophobicContact CE2-CZ3 4.31Å; F116-W181 AromaticContact CG-CE3 3.49Å; F116-W181 HydrophobicContact CG-CE3 3.49Å; F116-W181 VanDerWaalsContact CG-CE3 3.49Å; F116-W181 AromaticContact CG-CZ3 3.95Å; F116-W181 HydrophobicContact CG-CZ3 3.95Å; F116-W181 HydrophobicContact CZ-CE3 4.29Å; D175-W181 PolarHBondContact OD2-N 2.65Å; W181-S183 PolarHBondContact O-N 2.8Å; W181-M184 PolarHBondContact O-N 3.05Å; W181-H185 WeakPolarHBondContact O-CB 3.44Å; W181-H185 PolarHBondContact O-N 3.28Å
182	T	92.5	Very high	90.8	Very high	82 Å²	82	48.3 Å²	48.3	50%	0.503	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-47.3	-177.4	-58.1	0	0	0	0	111.4	N178 I180 M184 H185 E186	N178-T182 VanDerWaalsContact O-CB 3.3Å; N178-T182 WeakPolarHBondContact O-CB 3.22Å; N178-T182 PolarHBondContact O-N 2.86Å; N178-T182 PolarHBondContact O-OG1 3.38Å; I180-T182 PolarHBondContact O-N 3.25Å; T182-M184 PolarHBondContact O-N 3.17Å; T182-H185 PolarHBondContact O-N 3.4Å; T182-E186 WeakPolarHBondContact O-CB 3.26Å; T182-E186 PolarHBondContact O-N 2.93Å
183	S	93.6	Very high	90.4	Very high	56 Å²	56	56.8 Å²	56.8	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-43.2	178.9	-57.9	0	0	0	0	112.6	T179 I180 W181 C187	T179-S183 WeakPolarHBondContact O-CB 3.35Å; T179-S183 PolarHBondContact O-N 3.25Å; T179-S183 VanDerWaalsContact O-N 3.14Å; T179-S183 PolarHBondContact O-OG 3.46Å; I180-S183 PolarHBondContact O-N 2.04Å; W181-S183 PolarHBondContact O-N 2.8Å; S183-C187 PolarHBondContact O-N 3.41Å
184	M	94.2	Very high	89.8	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-72.4	-38.1	-179.6	-164.1	-178.4	-81.8	0	0	111.5	V34 F67 F116 I180 W181 T182 C187 F188 I203 W650	V34-M184 HydrophobicContact CG2-CE 4.32Å; F67-M184 HydrophobicContact CE2-CG 3.98Å; F67-M184 HydrophobicContact CE2-SD 4.34Å; F67-M184 HydrophobicContact CZ-CB 3.95Å; F67-M184 HydrophobicContact CZ-CG 3.59Å; F67-M184 HydrophobicContact CZ-SD 3.76Å; F116-M184 HydrophobicContact CE2-SD 4.33Å; F116-M184 HydrophobicContact CZ-SD 4.3Å; I180-M184 WeakPolarHBondContact O-CB 3.3Å; I180-M184 PolarHBondContact O-N 3.27Å; W181-M184 PolarHBondContact O-N 3.05Å; T182-M184 PolarHBondContact O-N 3.17Å; M184-C187 WeakPolarHBondContact O-CB 3.24Å; M184-C187 PolarHBondContact O-N 3.09Å; M184-F188 PolarHBondContact O-N 3.47Å; M184-F188 VanDerWaalsContact O-N 3.1Å; M184-I203 HydrophobicContact CE-CD1 4.5Å; M184-I203 HydrophobicContact CG-CD1 4.23Å; M184-I203 HydrophobicContact SD-CD1 3.58Å; M184-I203 VanDerWaalsContact SD-CD1 3.58Å; M184-I203 HydrophobicContact SD-CG1 4.19Å; M184-W650 HydrophobicContact CE-CB 4.26Å; M184-W650 HydrophobicContact CE-CD2 3.89Å; M184-W650 HydrophobicContact CE-CE3 3.46Å; M184-W650 VanDerWaalsContact CE-CE3 3.46Å; M184-W650 HydrophobicContact CE-CG 4.27Å; M184-W650 HydrophobicContact CE-CZ3 4.13Å; M184-W650 HydrophobicContact CG-CD2 4.32Å; M184-W650 HydrophobicContact CG-CG 4.23Å
185	H	93	Very high	89.6	Confident	59 Å²	59	64.6 Å²	64.6	27%	0.273	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-35.7	175.5	-174.3	-77.4	0	0	0	112	F67 W181 T182 F188 S189	F67-H185 HydrophobicContact CD1-CB 4.46Å; F67-H185 AromaticContact CD1-CD2 3.84Å; F67-H185 HydrophobicContact CE1-CB 4.29Å; W181-H185 WeakPolarHBondContact O-CB 3.44Å; W181-H185 PolarHBondContact O-N 3.28Å; T182-H185 PolarHBondContact O-N 3.4Å; H185-F188 PolarHBondContact O-N 2.96Å; H185-S189 WeakPolarHBondContact O-CB 3.37Å; H185-S189 PolarHBondContact O-N 3.06Å
186	E	93.6	Very high	89.5	Confident	120 Å²	120	69.4 Å²	69.4	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-60.2	-46.6	173.8	-175.4	177.2	-175.9	0	0	111.3	T182 F188 S189 M190	T182-E186 WeakPolarHBondContact O-CB 3.26Å; T182-E186 PolarHBondContact O-N 2.93Å; E186-F188 VanDerWaalsContact C-N 3.34Å; E186-F188 PolarHBondContact O-N 2.87Å; E186-S189 PolarHBondContact O-N 2.93Å; E186-M190 WeakPolarHBondContact O-CB 3.37Å; E186-M190 PolarHBondContact O-N 2.59Å
187	C	93.6	Very high	89.8	Confident	22 Å²	22	70 Å²	70	15%	0.149	37%	0.374	C	S	.	.	H	α-helix	trans	-56.7	-46.3	173.8	179	0	0	0	0	111.9	S183 M184 L191 C201	S183-C187 PolarHBondContact O-N 3.41Å; M184-C187 WeakPolarHBondContact O-CB 3.24Å; M184-C187 PolarHBondContact O-N 3.09Å; C187-L191 WeakPolarHBondContact O-CB 3.46Å; C187-L191 WeakPolarHBondContact O-CG 3.26Å; C187-L191 PolarHBondContact O-N 3.11Å; C187-L191 VanDerWaalsContact O-N 3.09Å; C187-C201 HydrophobicContact CB-CB 4.16Å; C187-C201 WeakPolarHBondContact CB-SG 3.4Å; C187-C201 WeakPolarHBondContact SG-CB 3.23Å; C187-C201 CovalentContact SG-SG 2.05Å; C187-C201 PolarHBondContact SG-SG 2.78Å
188	F	93.8	Very high	89.9	Confident	20 Å²	20	67 Å²	67	9%	0.088	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-48	175.8	167.9	-97.9	0	0	0	112.6	A65 F67 M184 H185 E186 M190 L191 N192 R193	A65-F188 HydrophobicContact CB-CD2 4.28Å; A65-F188 VanDerWaalsContact O-CD2 3.24Å; A65-F188 WeakPolarHBondContact O-CD2 3.5Å; A65-F188 WeakPolarHBondContact O-CE2 3.47Å; F67-F188 HydrophobicContact CB-CD1 3.68Å; F67-F188 HydrophobicContact CB-CD2 4.35Å; F67-F188 HydrophobicContact CB-CE1 3.74Å; F67-F188 HydrophobicContact CB-CE2 4.4Å; F67-F188 HydrophobicContact CB-CG 3.99Å; F67-F188 HydrophobicContact CB-CZ 4.11Å; F67-F188 HydrophobicContact CD2-CB 3.52Å; F67-F188 HydrophobicContact CD2-CD1 4.04Å; F67-F188 AromaticContact CD2-CD2 3.84Å; F67-F188 HydrophobicContact CD2-CD2 3.84Å; F67-F188 AromaticContact CD2-CG 3.51Å; F67-F188 HydrophobicContact CD2-CG 3.51Å; F67-F188 HydrophobicContact CE2-CB 3.89Å; F67-F188 HydrophobicContact CE2-CG 4.37Å; F67-F188 HydrophobicContact CG-CB 4.35Å; F67-F188 HydrophobicContact CG-CD1 4.15Å; F67-F188 HydrophobicContact CG-CG 4.1Å; F67-F188 WeakPolarHBondContact O-CE1 3.48Å; F67-F188 VanDerWaalsContact O-CZ 3.25Å; F67-F188 WeakPolarHBondContact O-CZ 3.39Å; M184-F188 PolarHBondContact O-N 3.47Å; M184-F188 VanDerWaalsContact O-N 3.1Å; H185-F188 PolarHBondContact O-N 2.96Å; E186-F188 VanDerWaalsContact C-N 3.34Å; E186-F188 PolarHBondContact O-N 2.87Å; F188-M190 PolarHBondContact O-N 3.17Å; F188-L191 PolarHBondContact O-N 3.04Å; F188-N192 HydrophobicContact CD2-CB 3.65Å; F188-N192 HydrophobicContact CE2-CB 3.75Å; F188-N192 HydrophobicContact CG-CB 4.45Å; F188-N192 WeakPolarHBondContact O-CA 3.34Å; F188-N192 WeakPolarHBondContact O-CB 3.23Å; F188-N192 PolarHBondContact O-N 2.95Å; F188-R193 PolarHBondContact O-N 2.79Å
189	S	92.1	Very high	90.1	Very high	45 Å²	45	66.1 Å²	66.1	32%	0.315	36%	0.355	S	S	.	.	I	π-helix	trans	-62.6	-44.8	-177	-171	0	0	0	0	111.2	H185 E186 R193 E194	H185-S189 WeakPolarHBondContact O-CB 3.37Å; H185-S189 PolarHBondContact O-N 3.06Å; E186-S189 PolarHBondContact O-N 2.93Å; S189-R193 WeakPolarHBondContact O-CB 3.13Å; S189-E194 PolarHBondContact O-N 3.42Å
190	M	91.5	Very high	90.2	Very high	121 Å²	121	65.5 Å²	65.5	60%	0.596	34%	0.343	S	S	*	.	I	π-helix	trans	-69.4	-40.4	-178.6	-175.7	-176.7	-78.4	0	0	112.5	E186 F188	E186-M190 WeakPolarHBondContact O-CB 3.37Å; E186-M190 PolarHBondContact O-N 2.59Å; F188-M190 PolarHBondContact O-N 3.17Å
191	L	91.8	Very high	90.3	Very high	13 Å²	13	64.7 Å²	64.7	7%	0.068	34%	0.339	C	S	.	.	I	π-helix	trans	-103.6	-26.2	-168.3	-60	175.6	0	0	0	114.4	C187 F188 P195 R200 C201 R652	C187-L191 WeakPolarHBondContact O-CB 3.46Å; C187-L191 WeakPolarHBondContact O-CG 3.26Å; C187-L191 PolarHBondContact O-N 3.11Å; C187-L191 VanDerWaalsContact O-N 3.09Å; F188-L191 PolarHBondContact O-N 3.04Å; L191-P195 WeakPolarHBondContact O-CB 3.35Å; L191-R200 WeakPolarHBondContact O-CD 3.22Å; L191-C201 HydrophobicContact CB-CB 4.23Å; L191-C201 HydrophobicContact CD1-CB 4.11Å; L191-R652 HydrophobicContact CD1-CB 4.05Å; L191-R652 HydrophobicContact CD1-CG 3.84Å
192	N	90.3	Very high	90.5	Very high	30 Å²	30	62.8 Å²	62.8	16%	0.16	33%	0.332	C	S	.	.	I	π-helix	trans	-108.5	-31.2	-172.7	-62.6	10.9	0	0	0	112.4	V64 A65 F188 R200 C201	V64-N192 WeakPolarHBondContact CG1-ND2 3.43Å; A65-N192 PolarHBondContact O-ND2 2.95Å; F188-N192 HydrophobicContact CD2-CB 3.65Å; F188-N192 HydrophobicContact CE2-CB 3.75Å; F188-N192 HydrophobicContact CG-CB 4.45Å; F188-N192 WeakPolarHBondContact O-CA 3.34Å; F188-N192 WeakPolarHBondContact O-CB 3.23Å; F188-N192 PolarHBondContact O-N 2.95Å; N192-R200 WeakPolarHBondContact OD1-CA 3.44Å; N192-R200 WeakPolarHBondContact OD1-CB 3.47Å; N192-C201 PolarHBondContact ND2-O 3.13Å; N192-C201 PolarHBondContact OD1-N 2.79Å
193	R	85.9	Confident	90.8	Very high	180 Å²	180	58.9 Å²	58.9	68%	0.679	31%	0.308	S	S	*	.	I	π-helix	trans	-87.1	-46.2	179.5	-168	177.9	-178.6	164.8	0.8	112.2	F188 S189 P195	F188-R193 PolarHBondContact O-N 2.79Å; S189-R193 WeakPolarHBondContact O-CB 3.13Å; R193-P195 VanDerWaalsContact C-CD 3.41Å; R193-P195 WeakPolarHBondContact O-CD 3.39Å
194	E	82.8	Confident	90.9	Very high	153 Å²	153	57 Å²	57	72%	0.715	29%	0.293	S	S	*	.	S	Bend	trans	-125.5	63.1	179.7	-64.7	-177.7	-177.5	0	0	111.1	S189 A196	S189-E194 PolarHBondContact O-N 3.42Å; E194-A196 PolarHBondContact O-N 3.39Å; E194-A196 VanDerWaalsContact O-N 3.13Å
195	P	83.3	Confident	91.1	Very high	55 Å²	55	57 Å²	57	36%	0.357	29%	0.293	S	S	.	.			trans	-61.7	117.7	-175.6	24	-32.7	0	0	0	111.6	L191 R193 D197 R200	L191-P195 WeakPolarHBondContact O-CB 3.35Å; R193-P195 VanDerWaalsContact C-CD 3.41Å; R193-P195 WeakPolarHBondContact O-CD 3.39Å; P195-D197 VanDerWaalsContact C-N 3.29Å; P195-D197 WeakPolarHBondContact CB-O 3.36Å; P195-R200 VanDerWaalsContact CB-NH1 3.3Å
196	A	84.2	Confident	91.3	Very high	105 Å²	105	54.5 Å²	54.5	87%	0.868	28%	0.282	S	S	*	.	S	Bend	trans	-74.1	-23	171	0	0	0	0	0	112.6	E194	E194-A196 PolarHBondContact O-N 3.39Å; E194-A196 VanDerWaalsContact O-N 3.13Å
197	D	85.4	Confident	91.4	Very high	68 Å²	68	48.8 Å²	48.8	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-145.3	-171.5	179.8	67.2	6.1	0	0	0	111.9	P195 T199 R200 R652	P195-D197 VanDerWaalsContact C-N 3.29Å; P195-D197 WeakPolarHBondContact CB-O 3.36Å; D197-T199 PolarHBondContact O-N 2.69Å; D197-T199 WeakPolarHBondContact OD1-CB 3.38Å; D197-T199 PolarHBondContact OD1-N 3.42Å; D197-T199 PolarHBondContact OD1-OG1 3.06Å; D197-R200 PolarHBondContact O-NH1 2.99Å; D197-R652 VanDerWaalsContact CG-NH2 3.29Å; D197-R652 IonicContact OD1-NH2 3.33Å; D197-R652 PolarHBondContact OD1-NH2 2.81Å; D197-R652 IonicContact OD2-CZ 3.74Å; D197-R652 IonicContact OD2-NH2 2.62Å; D197-R652 PolarHBondContact OD2-NH2 2.87Å
198	D	86	Confident	91.5	Very high	67 Å²	67	47.9 Å²	47.9	36%	0.358	25%	0.249	S	C	.	.	S	Bend	trans	-84.2	21.8	-178.3	-157.7	23.2	0	0	0	113.6	S655 T657 V658	D198-S655 PolarHBondContact O-N 3.33Å; D198-S655 VanDerWaalsContact OD2-CB 3.24Å; D198-S655 WeakPolarHBondContact OD2-CB 3.04Å; D198-S655 PolarHBondContact OD2-OG 2.97Å; D198-T657 PolarHBondContact OD2-OG1 3.33Å; D198-V658 HydrophobicContact CB-CG2 4.11Å
199	T	90.2	Very high	91.5	Very high	22 Å²	22	47.5 Å²	47.5	14%	0.135	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	152.7	175.1	70.3	0	0	0	0	111.5	D197 R652 G653	D197-T199 PolarHBondContact O-N 2.69Å; D197-T199 WeakPolarHBondContact OD1-CB 3.38Å; D197-T199 PolarHBondContact OD1-N 3.42Å; D197-T199 PolarHBondContact OD1-OG1 3.06Å; T199-R652 HydrophobicContact CG2-CG 4.41Å; T199-R652 PolarHBondContact OG1-NE 3.04Å; T199-R652 PolarHBondContact OG1-NH2 3.14Å; T199-G653 CarbonylContact C-O 3.47Å; T199-G653 VanDerWaalsContact CA-O 3.26Å; T199-G653 WeakPolarHBondContact CA-O 3.18Å; T199-G653 WeakPolarHBondContact CB-O 3.46Å
200	R	92.7	Very high	91.6	Very high	70 Å²	70	46.4 Å²	46.4	26%	0.264	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.2	179.2	-59.8	-64.7	177.6	-89.3	-5	110.5	V64 L191 N192 P195 D197 F202 R652 G653	V64-R200 HydrophobicContact CG1-CB 4.31Å; V64-R200 HydrophobicContact CG2-CB 4.46Å; L191-R200 WeakPolarHBondContact O-CD 3.22Å; N192-R200 WeakPolarHBondContact OD1-CA 3.44Å; N192-R200 WeakPolarHBondContact OD1-CB 3.47Å; P195-R200 VanDerWaalsContact CB-NH1 3.3Å; D197-R200 PolarHBondContact O-NH1 2.99Å; R200-F202 HydrophobicContact CB-CD2 4.2Å; R200-F202 HydrophobicContact CB-CE2 3.8Å; R200-F202 WeakPolarHBondContact O-CD2 3.4Å; R200-F202 PolarHBondContact O-N 2.8Å; R200-R652 WeakPolarHBondContact O-CA 3.11Å; R200-G653 PolarHBondContact N-O 2.9Å; R200-G653 PolarHBondContact O-N 3.21Å
201	C	95.2	Very high	91.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.6	165.8	-166.5	0	0	0	0	108.8	A65 C187 L191 N192	A65-C201 HydrophobicContact CB-CB 4.31Å; A65-C201 WeakPolarHBondContact CB-O 3.25Å; A65-C201 PolarHBondContact N-O 3.27Å; C187-C201 HydrophobicContact CB-CB 4.16Å; C187-C201 WeakPolarHBondContact CB-SG 3.4Å; C187-C201 WeakPolarHBondContact SG-CB 3.23Å; C187-C201 CovalentContact SG-SG 2.05Å; C187-C201 PolarHBondContact SG-SG 2.78Å; L191-C201 HydrophobicContact CB-CB 4.23Å; L191-C201 HydrophobicContact CD1-CB 4.11Å; N192-C201 PolarHBondContact ND2-O 3.13Å; N192-C201 PolarHBondContact OD1-N 2.79Å
202	F	95.7	Very high	91.8	Very high	30 Å²	30	43.1 Å²	43.1	13%	0.132	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.9	174.5	-77.7	-99.2	0	0	0	110.1	G63 V64 R200 W650 Y651	G63-F202 VanDerWaalsContact C-CD1 3.49Å; G63-F202 WeakPolarHBondContact O-CA 3.3Å; V64-F202 HydrophobicContact CG2-CD1 4.29Å; V64-F202 HydrophobicContact CG2-CE1 3.69Å; V64-F202 HydrophobicContact CG2-CE2 4.32Å; V64-F202 HydrophobicContact CG2-CZ 3.71Å; R200-F202 HydrophobicContact CB-CD2 4.2Å; R200-F202 HydrophobicContact CB-CE2 3.8Å; R200-F202 WeakPolarHBondContact O-CD2 3.4Å; R200-F202 PolarHBondContact O-N 2.8Å; F202-W650 CarbonylContact O-C 3.39Å; F202-W650 WeakPolarHBondContact O-CA 3.49Å; F202-W650 WeakPolarHBondContact O-CB 3.25Å; F202-Y651 HydrophobicContact CB-CD2 4.19Å; F202-Y651 HydrophobicContact CB-CE1 4.27Å; F202-Y651 HydrophobicContact CB-CE2 3.79Å; F202-Y651 HydrophobicContact CG-CE2 4.39Å; F202-Y651 PolarHBondContact N-O 2.84Å; F202-Y651 PolarHBondContact O-N 3.49Å
203	I	97.3	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.2	170.3	-59.7	164.1	0	0	0	107.7	S62 G63 A65 F67 V87 V89 I114 M184 L648 R649 W650	S62-I203 VanDerWaalsContact CA-O 3.32Å; S62-I203 WeakPolarHBondContact CA-O 3.28Å; G63-I203 PolarHBondContact N-O 3.03Å; G63-I203 PolarHBondContact O-N 2.91Å; A65-I203 HydrophobicContact CB-CD1 3.5Å; A65-I203 HydrophobicContact CB-CG1 3.9Å; F67-I203 HydrophobicContact CE2-CD1 4.37Å; V87-I203 HydrophobicContact CB-CB 4.01Å; V87-I203 HydrophobicContact CB-CG2 4.46Å; V87-I203 HydrophobicContact CG1-CB 3.97Å; V87-I203 HydrophobicContact CG1-CD1 4.31Å; V87-I203 HydrophobicContact CG1-CG2 3.91Å; V87-I203 HydrophobicContact CG2-CB 4.3Å; V87-I203 WeakPolarHBondContact CG2-O 3.26Å; V89-I203 HydrophobicContact CG2-CD1 3.8Å; I114-I203 HydrophobicContact CD1-CD1 4.28Å; I114-I203 HydrophobicContact CD1-CG2 3.59Å; M184-I203 HydrophobicContact CE-CD1 4.5Å; M184-I203 HydrophobicContact CG-CD1 4.23Å; M184-I203 HydrophobicContact SD-CD1 3.58Å; M184-I203 VanDerWaalsContact SD-CD1 3.58Å; M184-I203 HydrophobicContact SD-CG1 4.19Å; I203-L648 HydrophobicContact CG2-CD1 3.73Å; I203-R649 WeakPolarHBondContact CA-O 3.36Å; I203-W650 HydrophobicContact CG1-CB 3.96Å
204	E	97.2	Very high	92.5	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.075	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.7	177.2	-177.8	-177	166.6	0	0	110.6	N61 F647 R649 Y651	N61-E204 WeakPolarHBondContact O-CA 3.3Å; E204-F647 HydrophobicContact CG-CE2 4.11Å; E204-R649 HydrophobicContact CB-CG 4.05Å; E204-R649 VanDerWaalsContact CD-NH2 3.28Å; E204-R649 PolarHBondContact N-O 2.87Å; E204-R649 PolarHBondContact O-N 3.08Å; E204-R649 IonicContact OE1-CZ 2.79Å; E204-R649 IonicContact OE1-NE 2.73Å; E204-R649 IonicContact OE1-NH2 3.87Å; E204-R649 PolarHBondContact OE1-NH2 2.73Å; E204-R649 VanDerWaalsContact OE1-NH2 3.11Å; E204-R649 IonicContact OE2-CZ 3.18Å; E204-R649 IonicContact OE2-NE 3.7Å; E204-R649 PolarHBondContact OE2-NE 2.93Å; E204-R649 IonicContact OE2-NH2 2.81Å; E204-R649 PolarHBondContact OE2-NH2 3.48Å; E204-Y651 HydrophobicContact CB-CE1 3.96Å
205	I	97.8	Very high	93.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.6	176	-46.8	-176.4	0	0	0	107.7	F41 N61 V87 I114 P169 V171 L648	F41-I205 HydrophobicContact CD1-CG2 4.44Å; F41-I205 HydrophobicContact CE1-CG2 4.06Å; N61-I205 PolarHBondContact N-O 2.84Å; N61-I205 PolarHBondContact O-N 2.92Å; V87-I205 HydrophobicContact CG1-CD1 4.22Å; I114-I205 HydrophobicContact CD1-CD1 4.3Å; I114-I205 HydrophobicContact CG1-CD1 3.84Å; P169-I205 HydrophobicContact CB-CB 4.25Å; P169-I205 HydrophobicContact CB-CG2 3.8Å; P169-I205 HydrophobicContact CG-CB 3.91Å; P169-I205 HydrophobicContact CG-CD1 4.41Å; P169-I205 HydrophobicContact CG-CG2 4.04Å; V171-I205 HydrophobicContact CG2-CD1 4.22Å; V171-I205 HydrophobicContact CG2-CG2 3.53Å; I205-L648 HydrophobicContact CG1-CD1 3.89Å
206	N	96.9	Very high	93.6	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.9	173.7	-166.2	53.5	0	0	0	109.4	G60 P208 S644 E645 R646 F647	G60-N206 WeakPolarHBondContact CA-OD1 2.91Å; G60-N206 PolarHBondContact N-OD1 3.15Å; G60-N206 VanDerWaalsContact N-OD1 3.08Å; N206-P208 WeakPolarHBondContact OD1-CD 3.28Å; N206-S644 PolarHBondContact ND2-OG 2.93Å; N206-E645 PolarHBondContact ND2-O 3.24Å; N206-R646 VanDerWaalsContact O-CA 3.24Å; N206-R646 WeakPolarHBondContact O-CA 3.35Å; N206-F647 HydrophobicContact CB-CD1 3.79Å; N206-F647 HydrophobicContact CB-CD2 4.06Å; N206-F647 HydrophobicContact CB-CE1 3.45Å; N206-F647 VanDerWaalsContact CB-CE1 3.45Å; N206-F647 HydrophobicContact CB-CE2 3.72Å; N206-F647 HydrophobicContact CB-CG 4.08Å; N206-F647 HydrophobicContact CB-CZ 3.41Å; N206-F647 VanDerWaalsContact CB-CZ 3.41Å; N206-F647 PolarHBondContact N-O 3.3Å; N206-F647 PolarHBondContact O-N 3.42Å; N206-F647 VanDerWaalsContact O-N 3.07Å
207	N	94.8	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.			trans	-148.6	63.4	167.5	88.2	-69.5	0	0	0	110.8	F41 C42 S56 P169 M209 R646	F41-N207 HydrophobicContact CD1-CB 3.76Å; F41-N207 HydrophobicContact CE1-CB 4.28Å; F41-N207 HydrophobicContact CG-CB 4.45Å; C42-N207 PolarHBondContact O-ND2 3.34Å; S56-N207 PolarHBondContact N-O 3.01Å; S56-N207 PolarHBondContact N-OD1 2.91Å; S56-N207 PolarHBondContact OG-N 3.06Å; P169-N207 WeakPolarHBondContact CB-OD1 3.38Å; N207-M209 HydrophobicContact CB-CE 4.25Å; N207-M209 WeakPolarHBondContact O-CE 3.5Å; N207-M209 PolarHBondContact O-N 3.32Å; N207-R646 HydrophobicContact CB-CG 4.15Å
208	P	95.7	Very high	94.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.013	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-73	128.7	-176.5	27.1	-30.3	0	0	0	110.1	S56 N206 H643 S644	S56-P208 WeakPolarHBondContact OG-CA 3.22Å; S56-P208 VanDerWaalsContact OG-CD 3.31Å; S56-P208 WeakPolarHBondContact OG-CD 3.28Å; N206-P208 WeakPolarHBondContact OD1-CD 3.28Å; P208-H643 HydrophobicContact CB-CB 4.03Å; P208-H643 HydrophobicContact CG-CB 4.1Å; P208-H643 WeakPolarHBondContact O-CB 3.34Å; P208-H643 PolarHBondContact O-N 3.44Å; P208-S644 WeakPolarHBondContact CG-OG 3.33Å
209	M	95.1	Very high	94.8	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.059	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-105.2	125.7	-178.3	-63.3	-67.9	112.1	0	0	110	T43 R44 C54 S55 N207 A211 S640 E642	T43-M209 HydrophobicContact CG2-CE 4.15Å; T43-M209 HydrophobicContact CG2-SD 4.08Å; R44-M209 HydrophobicContact CB-CB 3.87Å; R44-M209 HydrophobicContact CB-CG 3.82Å; C54-M209 WeakPolarHBondContact O-CG 3.29Å; S55-M209 WeakPolarHBondContact OG-CB 3.39Å; S55-M209 PolarHBondContact OG-N 2.92Å; N207-M209 HydrophobicContact CB-CE 4.25Å; N207-M209 WeakPolarHBondContact O-CE 3.5Å; N207-M209 PolarHBondContact O-N 3.32Å; M209-A211 PolarHBondContact O-N 3.24Å; M209-S640 WeakPolarHBondContact CB-OG 3.41Å; M209-E642 HydrophobicContact CE-CB 4.49Å; M209-E642 HydrophobicContact CE-CG 3.91Å
210	S	94.3	Very high	94.9	Very high	23 Å²	23	29.7 Å²	29.7	16%	0.161	15%	0.149	C	C	.	.	S	Bend	trans	-69.3	-30.7	-173.1	-61.7	0	0	0	0	114.8	S640 R641 H643	S210-S640 PolarHBondContact N-OG 3.49Å; S210-S640 VanDerWaalsContact N-OG 3.12Å; S210-R641 PolarHBondContact N-O 3.41Å; S210-R641 PolarHBondContact OG-O 2.97Å; S210-H643 WeakPolarHBondContact OG-CA 3.32Å; S210-H643 WeakPolarHBondContact OG-CB 3.43Å
211	A	94.3	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.			trans	-86.8	146.8	-175.8	0	0	0	0	0	112.4	R44 L46 M209 C218 C237 S640	R44-A211 WeakPolarHBondContact CD-O 3.2Å; R44-A211 PolarHBondContact NH1-O 3.18Å; L46-A211 HydrophobicContact CD1-CB 3.69Å; L46-A211 HydrophobicContact CG-CB 4.44Å; M209-A211 PolarHBondContact O-N 3.24Å; A211-C218 HydrophobicContact CB-CB 4.43Å; A211-C237 HydrophobicContact CB-CB 4.06Å; A211-S640 WeakPolarHBondContact CB-OG 3.27Å; A211-S640 PolarHBondContact N-OG 3.03Å
212	V	93.6	Very high	94.6	Very high	65 Å²	65	32.8 Å²	32.8	39%	0.394	16%	0.163	S	C	.	.			trans	-145.1	151.2	179.1	-67.1	0	0	0	0	111	R221	V212-R221 VanDerWaalsContact CG2-NH1 3.29Å
213	G	94.5	Very high	94.3	Very high	33 Å²	33	37.8 Å²	37.8	34%	0.34	18%	0.182	S	C	.	.	S	Bend	trans	86.8	-110.3	176.3	0	0	0	0	0	111.9	A50 Q51	A50-G213 CarbonylContact C-O 3.52Å; Q51-G213 VanDerWaalsContact CB-O 3.27Å; Q51-G213 WeakPolarHBondContact CB-O 3.43Å; Q51-G213 PolarHBondContact N-O 2.98Å; Q51-G213 VanDerWaalsContact N-O 3.09Å
214	S	95.8	Very high	93.9	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.07	20%	0.202	C	C	.	.			trans	-130.4	167.6	-177	68.4	0	0	0	0	111.4	L48 E216 T217 C218	L48-S214 VanDerWaalsContact O-CB 3.27Å; L48-S214 WeakPolarHBondContact O-CB 3.32Å; L48-S214 PolarHBondContact O-OG 3.33Å; S214-E216 PolarHBondContact O-N 2.93Å; S214-T217 WeakPolarHBondContact O-CB 3.47Å; S214-T217 PolarHBondContact O-N 3.5Å; S214-T217 VanDerWaalsContact O-N 3.08Å; S214-T217 PolarHBondContact OG-N 3.47Å; S214-T217 VanDerWaalsContact OG-N 3.14Å; S214-T217 PolarHBondContact OG-OG1 2.91Å; S214-T217 VanDerWaalsContact OG-OG1 3.05Å; S214-C218 PolarHBondContact O-N 2.9Å
215	S	95.6	Very high	93.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56	-41.7	174.1	-61.4	0	0	0	0	111	L46 N47 T217 C218 F219 A636	L46-S215 VanDerWaalsContact C-OG 3.31Å; L46-S215 WeakPolarHBondContact CB-OG 3.41Å; L46-S215 PolarHBondContact O-OG 2.9Å; N47-S215 VanDerWaalsContact C-OG 3.27Å; N47-S215 WeakPolarHBondContact O-CB 3.47Å; N47-S215 PolarHBondContact O-N 3.22Å; N47-S215 PolarHBondContact O-OG 3.44Å; N47-S215 VanDerWaalsContact O-OG 3.14Å; S215-T217 PolarHBondContact O-N 2.96Å; S215-C218 PolarHBondContact O-N 3.12Å; S215-F219 VanDerWaalsContact O-CB 3.24Å; S215-F219 WeakPolarHBondContact O-CB 3.36Å; S215-F219 PolarHBondContact O-N 3.49Å; S215-A636 WeakPolarHBondContact CB-O 3.37Å; S215-A636 PolarHBondContact OG-O 3.17Å
216	E	93.9	Very high	92.7	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-45	174.8	-174.5	-179.1	-171.7	0	0	111.9	S214 C218 R220	S214-E216 PolarHBondContact O-N 2.93Å; E216-C218 PolarHBondContact O-N 3.37Å; E216-R220 WeakPolarHBondContact O-CB 3.16Å; E216-R220 PolarHBondContact O-N 3.41Å
217	T	94.7	Very high	92.2	Very high	45 Å²	45	50.6 Å²	50.6	28%	0.276	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-44.9	178.3	-59.7	0	0	0	0	111.1	S214 S215 R221	S214-T217 WeakPolarHBondContact O-CB 3.47Å; S214-T217 PolarHBondContact O-N 3.5Å; S214-T217 VanDerWaalsContact O-N 3.08Å; S214-T217 PolarHBondContact OG-N 3.47Å; S214-T217 VanDerWaalsContact OG-N 3.14Å; S214-T217 PolarHBondContact OG-OG1 2.91Å; S214-T217 VanDerWaalsContact OG-OG1 3.05Å; S215-T217 PolarHBondContact O-N 2.96Å; T217-R221 WeakPolarHBondContact O-CB 3.01Å; T217-R221 VanDerWaalsContact O-CG 3.28Å; T217-R221 WeakPolarHBondContact O-CG 3.42Å; T217-R221 PolarHBondContact O-N 3.49Å
218	C	94.8	Very high	91.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-50.7	179.8	-176.7	0	0	0	0	111.7	L46 A211 S214 S215 E216 R220 R221 Q222 F236 C237	L46-C218 HydrophobicContact CD1-CB 3.52Å; A211-C218 HydrophobicContact CB-CB 4.43Å; S214-C218 PolarHBondContact O-N 2.9Å; S215-C218 PolarHBondContact O-N 3.12Å; E216-C218 PolarHBondContact O-N 3.37Å; C218-R220 VanDerWaalsContact C-N 3.32Å; C218-R220 PolarHBondContact O-N 3.33Å; C218-R221 PolarHBondContact O-N 3.01Å; C218-R221 VanDerWaalsContact O-N 3.14Å; C218-Q222 PolarHBondContact O-N 3.2Å; C218-F236 VanDerWaalsContact SG-CB 3.6Å; C218-C237 HydrophobicContact CB-CB 4.12Å; C218-C237 WeakPolarHBondContact CB-SG 3.33Å; C218-C237 WeakPolarHBondContact SG-CB 3.25Å; C218-C237 PolarHBondContact SG-N 3.47Å; C218-C237 CovalentContact SG-SG 2.02Å; C218-C237 PolarHBondContact SG-SG 3.48Å
219	F	91.6	Very high	90.5	Very high	76 Å²	76	63.5 Å²	63.5	33%	0.333	32%	0.317	S	S	.	.	H	α-helix	trans	-57.7	-45	178.2	-176.2	-95.3	0	0	0	111.5	S215 R221 Q222 Y223 M627 L632	S215-F219 VanDerWaalsContact O-CB 3.24Å; S215-F219 WeakPolarHBondContact O-CB 3.36Å; S215-F219 PolarHBondContact O-N 3.49Å; F219-R221 PolarHBondContact O-N 3.35Å; F219-Q222 PolarHBondContact O-N 3.16Å; F219-Y223 WeakPolarHBondContact O-CB 3.48Å; F219-Y223 PolarHBondContact O-N 2.97Å; F219-M627 HydrophobicContact CE1-CE 3.95Å; F219-M627 HydrophobicContact CZ-CE 4.02Å; F219-M627 HydrophobicContact CZ-SD 4.39Å; F219-L632 HydrophobicContact CB-CD1 3.82Å; F219-L632 HydrophobicContact CD1-CG 4.49Å; F219-L632 HydrophobicContact CD2-CD2 4.46Å; F219-L632 HydrophobicContact CG-CD1 4.15Å; F219-L632 HydrophobicContact CG-CG 4.36Å
220	R	91.4	Very high	89.6	Confident	138 Å²	138	68.3 Å²	68.3	52%	0.521	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-43.5	176	-174.8	179.5	67.1	91.6	-0.2	112.3	E216 C218 Q222 Y223 L224	E216-R220 WeakPolarHBondContact O-CB 3.16Å; E216-R220 PolarHBondContact O-N 3.41Å; C218-R220 VanDerWaalsContact C-N 3.32Å; C218-R220 PolarHBondContact O-N 3.33Å; R220-Q222 VanDerWaalsContact C-N 3.35Å; R220-Y223 PolarHBondContact O-N 3.46Å; R220-L224 HydrophobicContact CG-CD1 4.25Å; R220-L224 VanDerWaalsContact O-CG 3.29Å; R220-L224 WeakPolarHBondContact O-CG 3.09Å; R220-L224 PolarHBondContact O-N 3.06Å
221	R	91.6	Very high	88.6	Confident	85 Å²	85	73 Å²	73	32%	0.321	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-44	177.6	-76.5	177.7	67.8	-154.1	-3.9	111.4	V212 T217 C218 F219 L224 M225 F236	V212-R221 VanDerWaalsContact CG2-NH1 3.29Å; T217-R221 WeakPolarHBondContact O-CB 3.01Å; T217-R221 VanDerWaalsContact O-CG 3.28Å; T217-R221 WeakPolarHBondContact O-CG 3.42Å; T217-R221 PolarHBondContact O-N 3.49Å; C218-R221 PolarHBondContact O-N 3.01Å; C218-R221 VanDerWaalsContact O-N 3.14Å; F219-R221 PolarHBondContact O-N 3.35Å; R221-L224 PolarHBondContact O-N 3.21Å; R221-M225 WeakPolarHBondContact O-CB 3.41Å; R221-M225 PolarHBondContact O-N 2.93Å; R221-F236 HydrophobicContact CB-CD2 4.08Å; R221-F236 HydrophobicContact CB-CE2 4.1Å
222	Q	90.4	Very high	87.5	Confident	51 Å²	51	78.1 Å²	78.1	24%	0.238	41%	0.407	C	S	.	.	H	α-helix	trans	-64.7	-43	177.7	-173	164.8	-46.4	0	0	111.8	C218 F219 R220 L224 M225 S226 F236 C237	C218-Q222 PolarHBondContact O-N 3.2Å; F219-Q222 PolarHBondContact O-N 3.16Å; R220-Q222 VanDerWaalsContact C-N 3.35Å; Q222-L224 PolarHBondContact O-N 3.47Å; Q222-M225 PolarHBondContact O-N 3.5Å; Q222-S226 PolarHBondContact O-N 3.09Å; Q222-F236 HydrophobicContact CB-CD2 4.26Å; Q222-F236 VanDerWaalsContact OE1-N 3.15Å; Q222-C237 PolarHBondContact OE1-O 3.31Å
223	Y	88.2	Confident	86.5	Confident	134 Å²	134	78 Å²	78	53%	0.525	41%	0.409	S	S	.	.	H	α-helix	trans	-58.5	-47.7	173.9	177.5	-101	0	0	0	111.8	F219 R220 M225 S226 L227	F219-Y223 WeakPolarHBondContact O-CB 3.48Å; F219-Y223 PolarHBondContact O-N 2.97Å; R220-Y223 PolarHBondContact O-N 3.46Å; Y223-M225 VanDerWaalsContact C-N 3.29Å; Y223-M225 PolarHBondContact O-N 3.07Å; Y223-S226 WeakPolarHBondContact O-CB 3.2Å; Y223-S226 PolarHBondContact O-N 3.01Å; Y223-S226 VanDerWaalsContact O-N 3.13Å; Y223-S226 PolarHBondContact O-OG 3.41Å; Y223-L227 HydrophobicContact CE1-CD1 4.06Å; Y223-L227 PolarHBondContact O-N 3.15Å
224	L	88.8	Confident	85.8	Confident	81 Å²	81	81.4 Å²	81.4	42%	0.424	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-35.5	177.1	-69.3	172.3	0	0	0	112.8	R220 R221 Q222 S226 L227 H228	R220-L224 HydrophobicContact CG-CD1 4.25Å; R220-L224 VanDerWaalsContact O-CG 3.29Å; R220-L224 WeakPolarHBondContact O-CG 3.09Å; R220-L224 PolarHBondContact O-N 3.06Å; R221-L224 PolarHBondContact O-N 3.21Å; Q222-L224 PolarHBondContact O-N 3.47Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-L227 HydrophobicContact CD2-CD1 4.46Å; L224-L227 PolarHBondContact O-N 2.71Å; L224-H228 PolarHBondContact O-ND1 2.96Å
225	M	85.6	Confident	85.4	Confident	50 Å²	50	84.1 Å²	84.1	25%	0.246	43%	0.429	C	S	.	.	H	α-helix	trans	-69.1	-34.1	175.6	-160.8	64.8	80.6	0	0	111.9	R221 Q222 Y223 L227 H228 F236	R221-M225 WeakPolarHBondContact O-CB 3.41Å; R221-M225 PolarHBondContact O-N 2.93Å; Q222-M225 PolarHBondContact O-N 3.5Å; Y223-M225 VanDerWaalsContact C-N 3.29Å; Y223-M225 PolarHBondContact O-N 3.07Å; M225-L227 PolarHBondContact O-N 3.07Å; M225-H228 WeakPolarHBondContact O-CB 3.43Å; M225-H228 PolarHBondContact O-N 2.94Å; M225-F236 HydrophobicContact CE-CE2 4.38Å; M225-F236 HydrophobicContact CE-CZ 3.91Å
226	S	85.1	Confident	85.3	Confident	63 Å²	63	84.6 Å²	84.6	44%	0.441	43%	0.431	S	S	.	.	H	α-helix	trans	-65	-18.1	175.8	77.5	0	0	0	0	113.9	Q222 Y223 L224 H228	Q222-S226 PolarHBondContact O-N 3.09Å; Y223-S226 WeakPolarHBondContact O-CB 3.2Å; Y223-S226 PolarHBondContact O-N 3.01Å; Y223-S226 VanDerWaalsContact O-N 3.13Å; Y223-S226 PolarHBondContact O-OG 3.41Å; L224-S226 VanDerWaalsContact C-N 3.34Å; S226-H228 VanDerWaalsContact C-N 3.34Å
227	L	85.5	Confident	85.3	Confident	99 Å²	99	80.1 Å²	80.1	52%	0.518	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.1	175.3	-59.4	175.2	0	0	0	113.1	Y223 L224 M225 I229	Y223-L227 HydrophobicContact CE1-CD1 4.06Å; Y223-L227 PolarHBondContact O-N 3.15Å; L224-L227 HydrophobicContact CD2-CD1 4.46Å; L224-L227 PolarHBondContact O-N 2.71Å; M225-L227 PolarHBondContact O-N 3.07Å; L227-I229 PolarHBondContact O-N 2.78Å
228	H	81.9	Confident	85.1	Confident	100 Å²	100	79.5 Å²	79.5	46%	0.463	41%	0.406	S	S	.	.			trans	-83.8	103.1	176.6	-75.5	61.2	0	0	0	109.8	L224 M225 S226 S230	L224-H228 PolarHBondContact O-ND1 2.96Å; M225-H228 WeakPolarHBondContact O-CB 3.43Å; M225-H228 PolarHBondContact O-N 2.94Å; S226-H228 VanDerWaalsContact C-N 3.34Å; H228-S230 VanDerWaalsContact C-N 3.28Å; H228-S230 PolarHBondContact O-N 3.39Å
229	I	73.8	Confident	84.9	Confident	174 Å²	174	81.4 Å²	81.4	89%	0.892	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.8	-174.9	-57.2	169.6	0	0	0	112.1	L227	L227-I229 PolarHBondContact O-N 2.78Å
230	S	76	Confident	84.8	Confident	113 Å²	113	77.8 Å²	77.8	79%	0.79	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8.8	-173.1	54.3	0	0	0	0	115	H228	H228-S230 VanDerWaalsContact C-N 3.28Å; H228-S230 PolarHBondContact O-N 3.39Å
231	E	72.7	Confident	84.6	Confident	120 Å²	120	73.5 Å²	73.5	56%	0.561	39%	0.388	S	S	*	.	S	Bend	trans	-122.1	145	-179.4	-72.6	-175.9	171.4	0	0	110.1	S233	E231-S233 PolarHBondContact O-N 2.97Å
232	S	72.9	Confident	84.6	Confident	108 Å²	108	69.7 Å²	69.7	76%	0.755	38%	0.375	S	S	*	.			trans	-62.3	124.3	171.1	52.2	0	0	0	0	109	E234	S232-E234 PolarHBondContact O-N 3.43Å
233	S	72	Confident	84.7	Confident	62 Å²	62	68.1 Å²	68.1	43%	0.434	37%	0.368	S	S	.	.			trans	-62.6	109.5	179.2	-49.4	0	0	0	0	110.6	E231 I235	E231-S233 PolarHBondContact O-N 2.97Å; S233-I235 PolarHBondContact O-N 3.22Å
234	E	80.3	Confident	85.1	Confident	105 Å²	105	61.8 Å²	61.8	49%	0.491	34%	0.344	S	S	.	.			trans	-67.9	131.4	171.2	-71.2	-168.7	164.1	0	0	110.2	S232 F236	S232-E234 PolarHBondContact O-N 3.43Å; E234-F236 HydrophobicContact CB-CE1 3.91Å; E234-F236 HydrophobicContact CB-CZ 3.9Å; E234-F236 WeakPolarHBondContact OE2-CE1 3.39Å
235	I	87.6	Confident	85.5	Confident	67 Å²	67	58 Å²	58	34%	0.344	32%	0.324	S	S	.	.			trans	-96.3	117.8	174	-61.1	173	0	0	0	107.5	S233 R641	S233-I235 PolarHBondContact O-N 3.22Å; I235-R641 HydrophobicContact CG2-CG 4.48Å; I235-R641 VanDerWaalsContact CG2-CZ 3.46Å
236	F	92.5	Very high	86	Confident	10 Å²	10	55.7 Å²	55.7	4%	0.044	31%	0.312	C	S	.	.			trans	-92.9	-36.8	-175.6	-58.8	-64.3	0	0	0	112.1	C218 R221 Q222 M225 E234 R641	C218-F236 VanDerWaalsContact SG-CB 3.6Å; R221-F236 HydrophobicContact CB-CD2 4.08Å; R221-F236 HydrophobicContact CB-CE2 4.1Å; Q222-F236 HydrophobicContact CB-CD2 4.26Å; Q222-F236 VanDerWaalsContact OE1-N 3.15Å; M225-F236 HydrophobicContact CE-CE2 4.38Å; M225-F236 HydrophobicContact CE-CZ 3.91Å; E234-F236 HydrophobicContact CB-CE1 3.91Å; E234-F236 HydrophobicContact CB-CZ 3.9Å; E234-F236 WeakPolarHBondContact OE2-CE1 3.39Å; F236-R641 PolarHBondContact O-N 2.65Å
237	C	93.3	Very high	86.5	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.5	-179.7	51.2	0	0	0	0	111.4	L46 A211 C218 Q222 M638 R639	L46-C237 HydrophobicContact CD1-CB 4.36Å; A211-C237 HydrophobicContact CB-CB 4.06Å; C218-C237 HydrophobicContact CB-CB 4.12Å; C218-C237 WeakPolarHBondContact CB-SG 3.33Å; C218-C237 WeakPolarHBondContact SG-CB 3.25Å; C218-C237 PolarHBondContact SG-N 3.47Å; C218-C237 CovalentContact SG-SG 2.02Å; C218-C237 PolarHBondContact SG-SG 3.48Å; Q222-C237 PolarHBondContact OE1-O 3.31Å; C237-M638 HydrophobicContact CB-CB 4.27Å; C237-M638 HydrophobicContact CB-CE 4.22Å; C237-M638 WeakPolarHBondContact SG-CE 3.47Å; C237-R639 CarbonylContact C-O 3.56Å; C237-R639 WeakPolarHBondContact CA-O 3.33Å; C237-R639 WeakPolarHBondContact CB-O 3.39Å
238	D	91.3	Very high	86.8	Confident	32 Å²	32	48.3 Å²	48.3	17%	0.171	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	156	171.3	-61.4	-55.4	0	0	0	109.8	M638 R639 R641	D238-M638 CarbonylContact O-C 3.59Å; D238-M638 VanDerWaalsContact O-CA 3.25Å; D238-M638 WeakPolarHBondContact O-CA 3.32Å; D238-M638 VanDerWaalsContact O-CB 3.31Å; D238-M638 WeakPolarHBondContact O-CB 3.33Å; D238-R639 PolarHBondContact N-O 2.96Å; D238-R639 PolarHBondContact O-N 2.81Å; D238-R641 IonicContact OD1-CZ 3.72Å; D238-R641 VanDerWaalsContact OD1-CZ 3.26Å; D238-R641 IonicContact OD1-NE 2.67Å; D238-R641 PolarHBondContact OD1-NE 2.96Å; D238-R641 IonicContact OD1-NH2 3.69Å; D238-R641 PolarHBondContact OD1-NH2 2.89Å; D238-R641 WeakPolarHBondContact OD2-CG 3.26Å; D238-R641 IonicContact OD2-CZ 3.76Å; D238-R641 IonicContact OD2-NE 4Å; D238-R641 PolarHBondContact OD2-NE 3.3Å; D238-R641 IonicContact OD2-NH2 3.79Å
239	E	90.6	Very high	87	Confident	40 Å²	40	43.7 Å²	43.7	19%	0.187	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	151.1	162.1	177.8	164.7	176.4	0	0	111.7	T241 F624 L625	E239-T241 PolarHBondContact O-N 2.85Å; E239-F624 VanDerWaalsContact OE1-CA 3.25Å; E239-F624 WeakPolarHBondContact OE1-CA 3.49Å; E239-F624 WeakPolarHBondContact OE1-CB 3.24Å; E239-F624 PolarHBondContact OE1-N 3.17Å; E239-L625 HydrophobicContact CB-CD1 3.61Å; E239-L625 HydrophobicContact CB-CG 4.12Å; E239-L625 HydrophobicContact CG-CB 4.39Å; E239-L625 HydrophobicContact CG-CD1 3.77Å; E239-L625 HydrophobicContact CG-CG 3.68Å; E239-L625 PolarHBondContact OE1-N 3.48Å
240	L	89.9	Confident	87.1	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.207	C	C	.	.			trans	-64.7	105.5	165.8	-67.8	-168.9	0	0	0	110.2	N333 Y336 M339 T559 W637 R639	L240-N333 PolarHBondContact O-ND2 2.93Å; L240-Y336 HydrophobicContact CD1-CD1 3.42Å; L240-Y336 VanDerWaalsContact CD1-CD1 3.42Å; L240-Y336 HydrophobicContact CD1-CD2 3.72Å; L240-Y336 HydrophobicContact CD1-CE1 3.85Å; L240-Y336 HydrophobicContact CD1-CE2 4.11Å; L240-Y336 HydrophobicContact CD1-CG 3.35Å; L240-M339 HydrophobicContact CD1-SD 4.5Å; L240-T559 HydrophobicContact CB-CG2 4.33Å; L240-T559 HydrophobicContact CD1-CG2 4.26Å; L240-T559 HydrophobicContact CD2-CG2 3.94Å; L240-T559 HydrophobicContact CG-CG2 4.41Å; L240-W637 HydrophobicContact CD1-CB 3.43Å; L240-W637 VanDerWaalsContact CD1-CB 3.43Å; L240-W637 HydrophobicContact CD1-CG 4.28Å; L240-W637 HydrophobicContact CG-CB 3.88Å; L240-R639 HydrophobicContact CD2-CB 3.92Å
241	T	87.1	Confident	86.5	Confident	48 Å²	48	33.7 Å²	33.7	29%	0.294	19%	0.186	S	C	.	.			trans	-72.4	137.6	179.7	46.3	0	0	0	0	110.4	E239 T559 K569	E239-T241 PolarHBondContact O-N 2.85Å; T241-T559 PolarHBondContact O-OG1 3.33Å; T241-K569 VanDerWaalsContact C-NZ 3.27Å; T241-K569 PolarHBondContact O-NZ 3.48Å; T241-K569 PolarHBondContact OG1-NZ 3.29Å
242	G	90	Very high	85.6	Confident	5 Å²	5	28.8 Å²	28.8	5%	0.052	16%	0.164	C	C	.	.			trans	-175.5	-177.4	-179.6	0	0	0	0	0	110.7	D332 S622 F624	G242-D332 WeakPolarHBondContact CA-OD2 3.45Å; G242-S622 WeakPolarHBondContact O-CA 3.26Å; G242-F624 VanDerWaalsContact C-CE2 3.5Å; G242-F624 WeakPolarHBondContact O-CE2 3.41Å
243	L	94	Very high	84.6	Confident	18 Å²	18	30.7 Å²	30.7	9%	0.094	16%	0.161	C	C	.	.			trans	-137.4	124.3	174.4	-53.8	176.5	0	0	0	112.2	I245 M281 D332 I620 T621	L243-I245 HydrophobicContact CB-CG1 4.26Å; L243-M281 WeakPolarHBondContact O-CE 3.44Å; L243-D332 PolarHBondContact N-OD2 2.7Å; L243-D332 VanDerWaalsContact O-CB 3.29Å; L243-D332 WeakPolarHBondContact O-CB 3.36Å; L243-I620 HydrophobicContact CB-CG2 3.89Å; L243-I620 HydrophobicContact CD1-CG2 3.92Å; L243-I620 HydrophobicContact CD2-CG2 3.64Å; L243-I620 HydrophobicContact CG-CG2 4.03Å; L243-T621 CarbonylContact C-O 3.47Å; L243-T621 WeakPolarHBondContact CA-O 3.39Å
244	N	96.4	Very high	83.6	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.7	157	-77.3	-10.5	0	0	0	108.9	F330 L331 D332 G340 I620 T621 F624	N244-F330 WeakPolarHBondContact CA-O 3.38Å; N244-L331 WeakPolarHBondContact OD1-CA 3.39Å; N244-D332 PolarHBondContact OD1-N 3.38Å; N244-G340 PolarHBondContact ND2-O 2.79Å; N244-I620 WeakPolarHBondContact O-CA 3.24Å; N244-T621 PolarHBondContact N-O 2.62Å; N244-T621 PolarHBondContact O-N 2.95Å; N244-F624 WeakPolarHBondContact OD1-CE1 3.35Å
245	I	97.2	Very high	82.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.5	-178	-54.4	162.4	0	0	0	108.5	L243 M281 S329 F330 S571 V574 L578 M618	L243-I245 HydrophobicContact CB-CG1 4.26Å; I245-M281 HydrophobicContact CD1-CE 4.07Å; I245-M281 HydrophobicContact CD1-SD 4.22Å; I245-M281 HydrophobicContact CG1-CE 4.43Å; I245-S329 CarbonylContact O-C 3.57Å; I245-S329 VanDerWaalsContact O-CA 3.28Å; I245-S329 WeakPolarHBondContact O-CA 3.3Å; I245-F330 HydrophobicContact CB-CB 4.22Å; I245-F330 HydrophobicContact CB-CD2 4.39Å; I245-F330 PolarHBondContact N-O 2.79Å; I245-F330 PolarHBondContact O-N 3.05Å; I245-S571 WeakPolarHBondContact CD1-O 3.47Å; I245-V574 HydrophobicContact CD1-CB 4.11Å; I245-V574 HydrophobicContact CD1-CG1 3.82Å; I245-L578 HydrophobicContact CG2-CD1 3.86Å; I245-M618 HydrophobicContact CG2-CG 3.6Å; I245-M618 HydrophobicContact CG2-SD 3.42Å; I245-M618 WeakPolarHBondContact CG2-SD 3.28Å
246	I	96.4	Very high	80.3	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	114.1	178.2	-55.9	161	0	0	0	107.8	F276 L327 F328 F344 I353 M618 D619	I246-F276 HydrophobicContact CG2-CE1 4.18Å; I246-L327 HydrophobicContact CG2-CB 4.35Å; I246-L327 HydrophobicContact CG2-CD2 3.95Å; I246-F328 CarbonylContact C-O 3.52Å; I246-F328 WeakPolarHBondContact CA-O 3.31Å; I246-F344 HydrophobicContact CD1-CD2 3.86Å; I246-F344 HydrophobicContact CD1-CE2 3.81Å; I246-F344 HydrophobicContact CG1-CD2 4.36Å; I246-F344 HydrophobicContact CG1-CE2 4.18Å; I246-I353 HydrophobicContact CD1-CD1 3.66Å; I246-I353 HydrophobicContact CD1-CG1 3.65Å; I246-I353 HydrophobicContact CD1-CG2 4.16Å; I246-I353 HydrophobicContact CG2-CG2 4.02Å; I246-M618 CarbonylContact O-C 3.58Å; I246-M618 VanDerWaalsContact O-CA 3.29Å; I246-M618 WeakPolarHBondContact O-CA 3.07Å; I246-D619 HydrophobicContact CB-CB 4.41Å; I246-D619 PolarHBondContact N-O 2.93Å; I246-D619 PolarHBondContact O-N 3.23Å
247	L	94.7	Very high	78	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.2	179.5	175.7	64.7	0	0	0	110.1	A308 M312 L327 F328 L578 T582 M618	L247-A308 HydrophobicContact CD2-CB 4.32Å; L247-M312 HydrophobicContact CD1-CE 4.29Å; L247-M312 HydrophobicContact CD1-SD 4.27Å; L247-M312 HydrophobicContact CD2-SD 3.73Å; L247-M312 HydrophobicContact CG-SD 4Å; L247-L327 CarbonylContact O-C 3.58Å; L247-L327 WeakPolarHBondContact O-CA 3.38Å; L247-F328 HydrophobicContact CB-CB 4.38Å; L247-F328 PolarHBondContact N-O 2.8Å; L247-F328 PolarHBondContact O-N 3.39Å; L247-L578 HydrophobicContact CD2-CD2 3.96Å; L247-T582 HydrophobicContact CD2-CG2 4Å; L247-M618 HydrophobicContact CD1-CB 4.2Å
248	S	91.8	Very high	75.8	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.2	174.6	-165.6	0	0	0	0	110.6	T250 R617	S248-T250 PolarHBondContact OG-O 2.98Å; S248-R617 PolarHBondContact N-O 3.46Å; S248-R617 WeakPolarHBondContact O-CB 3.39Å; S248-R617 WeakPolarHBondContact O-CD 3.2Å
249	A	87.5	Confident	73.8	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.025	22%	0.224	C	C	.	.			trans	-73.9	-43.1	178.3	0	0	0	0	0	111.5	M312 L317 L326 F328 R617	A249-M312 HydrophobicContact CB-CG 3.82Å; A249-M312 HydrophobicContact CB-SD 4.34Å; A249-L317 HydrophobicContact CB-CD2 4.37Å; A249-L326 HydrophobicContact CB-CB 4.18Å; A249-L326 HydrophobicContact CB-CD2 4.5Å; A249-L326 HydrophobicContact CB-CG 4.43Å; A249-L326 WeakPolarHBondContact CB-O 3.45Å; A249-L326 PolarHBondContact N-O 2.71Å; A249-F328 HydrophobicContact CB-CD2 4.24Å; A249-F328 HydrophobicContact CB-CE2 3.68Å; A249-R617 PolarHBondContact O-NH1 3.36Å
250	T	75	Confident	71.8	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.031	25%	0.253	C	S	.	.			trans	-101.8	159.7	-178.4	54.7	0	0	0	0	111.2	S248 L317 F322 D325 L326	S248-T250 PolarHBondContact OG-O 2.98Å; T250-L317 HydrophobicContact CG2-CD2 3.44Å; T250-L317 VanDerWaalsContact CG2-CD2 3.44Å; T250-F322 HydrophobicContact CG2-CB 3.95Å; T250-F322 HydrophobicContact CG2-CD1 3.86Å; T250-F322 HydrophobicContact CG2-CD2 3.82Å; T250-F322 HydrophobicContact CG2-CE1 4.48Å; T250-F322 HydrophobicContact CG2-CG 3.51Å; T250-D325 WeakPolarHBondContact OG1-CA 3.46Å; T250-D325 WeakPolarHBondContact OG1-CB 3.16Å; T250-D325 PolarHBondContact OG1-OD1 3.1Å; T250-L326 PolarHBondContact OG1-N 3.12Å; T250-L326 VanDerWaalsContact OG1-N 3.08Å
251	H	64.4	Low	69.7	Low	73 Å²	73	51.1 Å²	51.1	34%	0.338	27%	0.266	S	S	.	.			trans	-122.4	78.4	161.3	-170.5	79.4	0	0	0	106.2	E253	H251-E253 PolarHBondContact O-N 2.88Å
252	S	53.5	Low	67.6	Low	16 Å²	16	55 Å²	55	11%	0.112	29%	0.29	C	S	.	.			trans	-75.3	119	173.5	90.5	0	0	0	0	108.5	N254 D325	S252-N254 PolarHBondContact O-N 3.06Å; S252-N254 WeakPolarHBondContact OG-CB 3.14Å; S252-N254 PolarHBondContact OG-N 2.69Å; S252-N254 PolarHBondContact OG-ND2 2.7Å; S252-D325 WeakPolarHBondContact CA-OD1 3.14Å; S252-D325 WeakPolarHBondContact CB-OD1 3.04Å; S252-D325 PolarHBondContact N-OD1 3.24Å; S252-D325 PolarHBondContact OG-OD1 3.19Å; S252-D325 PolarHBondContact OG-OD2 3.13Å
253	E	51.2	Low	65.3	Low	148 Å²	148	62 Å²	62	69%	0.692	33%	0.326	S	S	*	.			trans	-71.7	35.2	156.6	-62.8	-176	176.5	0	0	110.2	H251 L255	H251-E253 PolarHBondContact O-N 2.88Å; E253-L255 HydrophobicContact CB-CD1 3.94Å; E253-L255 HydrophobicContact CG-CD1 4.32Å; E253-L255 PolarHBondContact O-N 3.22Å
254	N	50.1	Low	62.9	Low	59 Å²	59	65.7 Å²	65.7	32%	0.316	35%	0.349	S	S	.	.			trans	-72.7	69.6	169.3	-72.9	-24	0	0	0	108.1	S252 S270 F322 E323	S252-N254 PolarHBondContact O-N 3.06Å; S252-N254 WeakPolarHBondContact OG-CB 3.14Å; S252-N254 PolarHBondContact OG-N 2.69Å; S252-N254 PolarHBondContact OG-ND2 2.7Å; N254-S270 PolarHBondContact O-N 3.13Å; N254-S270 VanDerWaalsContact O-N 3.07Å; N254-S270 PolarHBondContact O-OG 2.78Å; N254-F322 PolarHBondContact ND2-O 3.28Å; N254-E323 PolarHBondContact ND2-O 3.26Å
255	L	52.9	Low	60.5	Low	43 Å²	43	69.6 Å²	69.6	23%	0.225	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	104.7	-175.2	-66.4	159.8	0	0	0	105.9	E253 R257 Y267 V268 N359	E253-L255 HydrophobicContact CB-CD1 3.94Å; E253-L255 HydrophobicContact CG-CD1 4.32Å; E253-L255 PolarHBondContact O-N 3.22Å; L255-R257 PolarHBondContact O-N 2.88Å; L255-Y267 VanDerWaalsContact CB-CB 3.48Å; L255-Y267 HydrophobicContact CB-CD1 3.56Å; L255-Y267 HydrophobicContact CB-CG 3.86Å; L255-Y267 HydrophobicContact CD1-CG 4.13Å; L255-Y267 HydrophobicContact CG-CG 4.47Å; L255-V268 CarbonylContact C-O 3.6Å; L255-V268 VanDerWaalsContact CA-O 3.31Å; L255-V268 WeakPolarHBondContact CA-O 3.49Å; L255-N359 HydrophobicContact CD2-CB 4.14Å; L255-N359 VanDerWaalsContact CD2-CG 3.49Å; L255-N359 WeakPolarHBondContact CD2-ND2 3.15Å
256	S	46.8	Very low	58.4	Low	59 Å²	59	73.9 Å²	73.9	41%	0.413	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.6	167.5	45	0	0	0	0	108.8	D258 V268	S256-D258 PolarHBondContact O-N 3.39Å; S256-V268 PolarHBondContact N-O 3.37Å; S256-V268 PolarHBondContact O-N 2.86Å; S256-V268 PolarHBondContact OG-O 3.3Å; S256-V268 VanDerWaalsContact OG-O 3.08Å
257	R	44.1	Very low	56.7	Low	189 Å²	189	79.4 Å²	79.4	71%	0.713	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.4	173.1	-162	-179.5	-170.1	-177.2	2.8	107.8	L255 N259	L255-R257 PolarHBondContact O-N 2.88Å; R257-N259 PolarHBondContact O-N 2.89Å
258	D	46.8	Very low	55.8	Low	74 Å²	74	82.6 Å²	82.6	40%	0.396	44%	0.44	S	S	.	.			trans	-69.6	102.3	174	-170.2	-3.5	0	0	0	109	S256 N260 A261 V268	S256-D258 PolarHBondContact O-N 3.39Å; D258-N260 PolarHBondContact O-N 3.17Å; D258-N260 PolarHBondContact OD1-N 2.73Å; D258-N260 VanDerWaalsContact OD1-N 3.09Å; D258-A261 HydrophobicContact CB-CB 4.27Å; D258-A261 PolarHBondContact O-N 3.33Å; D258-V268 HydrophobicContact CB-CG2 4.5Å
259	N	49	Very low	55.4	Low	141 Å²	141	82.9 Å²	82.9	75%	0.754	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.2	-178.6	-71.6	-29.3	0	0	0	112.8	R257	R257-N259 PolarHBondContact O-N 2.89Å
260	N	49.3	Very low	55.4	Low	146 Å²	146	84.3 Å²	84.3	78%	0.781	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-8.3	178.3	-70.3	-20.7	0	0	0	113.5	D258 V262	D258-N260 PolarHBondContact O-N 3.17Å; D258-N260 PolarHBondContact OD1-N 2.73Å; D258-N260 VanDerWaalsContact OD1-N 3.09Å; N260-V262 PolarHBondContact O-N 2.65Å
261	A	45.2	Very low	56.1	Low	36 Å²	36	90.9 Å²	90.9	30%	0.298	48%	0.481	S	S	.	.			trans	-83.9	92.4	176.9	0	0	0	0	0	110.8	D258 N263	D258-A261 HydrophobicContact CB-CB 4.27Å; D258-A261 PolarHBondContact O-N 3.33Å; A261-N263 PolarHBondContact O-N 3.09Å
262	V	43.5	Very low	57.4	Low	130 Å²	130	89.8 Å²	89.8	79%	0.788	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	105.1	170.3	-178.3	0	0	0	0	108.3	N260	N260-V262 PolarHBondContact O-N 2.65Å
263	N	41.3	Very low	59.2	Low	153 Å²	153	89.2 Å²	89.2	82%	0.818	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	13.4	163.7	-59.8	-22.5	0	0	0	121.4	A261	A261-N263 PolarHBondContact O-N 3.09Å
264	V	44.5	Very low	61.2	Low	94 Å²	94	82.1 Å²	82.1	57%	0.57	44%	0.44	S	S	*	.	S	Bend	trans	-140.9	134.6	158	-171.7	0	0	0	0	107.7	N266	V264-N266 VanDerWaalsContact CG1-OD1 3.25Å; V264-N266 WeakPolarHBondContact CG1-OD1 3.33Å; V264-N266 PolarHBondContact O-N 2.93Å
265	S	45	Very low	63.3	Low	84 Å²	84	79.4 Å²	79.4	59%	0.587	43%	0.425	S	S	*	.			trans	-66.2	70.7	170.6	52.4	0	0	0	0	109.9	Y267	S265-Y267 WeakPolarHBondContact O-CD2 3.4Å; S265-Y267 PolarHBondContact O-N 3.05Å
266	N	54.5	Low	65.4	Low	90 Å²	90	77.3 Å²	77.3	48%	0.481	42%	0.415	S	S	.	.			trans	-82.2	81.8	173	-77.9	-0.6	0	0	0	107	V264 V268	V264-N266 VanDerWaalsContact CG1-OD1 3.25Å; V264-N266 WeakPolarHBondContact CG1-OD1 3.33Å; V264-N266 PolarHBondContact O-N 2.93Å; N266-V268 PolarHBondContact O-N 3.33Å
267	Y	60	Low	67.9	Low	117 Å²	117	74.5 Å²	74.5	46%	0.459	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	120.9	161.2	-79.1	-62.5	0	0	0	108.8	L255 S265 N359	L255-Y267 VanDerWaalsContact CB-CB 3.48Å; L255-Y267 HydrophobicContact CB-CD1 3.56Å; L255-Y267 HydrophobicContact CB-CG 3.86Å; L255-Y267 HydrophobicContact CD1-CG 4.13Å; L255-Y267 HydrophobicContact CG-CG 4.47Å; S265-Y267 WeakPolarHBondContact O-CD2 3.4Å; S265-Y267 PolarHBondContact O-N 3.05Å; Y267-N359 PolarHBondContact O-OD1 2.83Å
268	V	74.6	Confident	70.5	Confident	67 Å²	67	65.5 Å²	65.5	41%	0.406	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.2	178.9	-179.3	0	0	0	0	109	L255 S256 D258 N266 S270	L255-V268 CarbonylContact C-O 3.6Å; L255-V268 VanDerWaalsContact CA-O 3.31Å; L255-V268 WeakPolarHBondContact CA-O 3.49Å; S256-V268 PolarHBondContact N-O 3.37Å; S256-V268 PolarHBondContact O-N 2.86Å; S256-V268 PolarHBondContact OG-O 3.3Å; S256-V268 VanDerWaalsContact OG-O 3.08Å; D258-V268 HydrophobicContact CB-CG2 4.5Å; N266-V268 PolarHBondContact O-N 3.33Å; V268-S270 PolarHBondContact O-N 2.55Å
269	R	84.2	Confident	72.9	Confident	14 Å²	14	62 Å²	62	5%	0.053	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	129.3	177.1	-179.3	170	-96	118	-1.3	109.9	S273 D325 N359 N365	R269-S273 VanDerWaalsContact CG-OG 3.22Å; R269-S273 WeakPolarHBondContact CG-OG 3.37Å; R269-D325 IonicContact CZ-OD2 3.22Å; R269-D325 VanDerWaalsContact CZ-OD2 3.27Å; R269-D325 IonicContact NE-OD2 3.12Å; R269-D325 PolarHBondContact NE-OD2 2.85Å; R269-D325 IonicContact NH2-OD2 2.73Å; R269-D325 PolarHBondContact NH2-OD2 2.93Å; R269-N359 PolarHBondContact NH1-O 3.02Å; R269-N365 HydrophobicContact CG-CB 4.16Å; R269-N365 PolarHBondContact O-ND2 3.07Å
270	S	87.3	Confident	75.1	Confident	33 Å²	33	55.5 Å²	55.5	23%	0.231	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.8	158	-175.7	54.7	0	0	0	0	112.9	N254 V268 S273 N365	N254-S270 PolarHBondContact O-N 3.13Å; N254-S270 VanDerWaalsContact O-N 3.07Å; N254-S270 PolarHBondContact O-OG 2.78Å; V268-S270 PolarHBondContact O-N 2.55Å; S270-S273 VanDerWaalsContact O-CB 3.32Å; S270-S273 WeakPolarHBondContact O-CB 3.4Å; S270-S273 PolarHBondContact O-OG 3.16Å; S270-S273 WeakPolarHBondContact OG-CB 3.14Å; S270-N365 PolarHBondContact O-ND2 2.87Å
271	E	90.1	Very high	77.3	Confident	142 Å²	142	48.6 Å²	48.6	66%	0.664	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	148.3	173.8	-63.3	-167.2	158	0	0	111.3	S273 S364	E271-S273 PolarHBondContact O-N 3.01Å; E271-S273 VanDerWaalsContact O-N 3.16Å; E271-S364 WeakPolarHBondContact CA-O 3.18Å
272	N	91	Very high	79.7	Confident	51 Å²	51	46.9 Å²	46.9	27%	0.273	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	35.9	179	-59.6	-46.9	0	0	0	114	S364 N365 V366 Y367 R449	N272-S364 PolarHBondContact N-O 3.35Å; N272-N365 CarbonylContact C-O 3.58Å; N272-N365 WeakPolarHBondContact CA-O 3.38Å; N272-N365 PolarHBondContact N-O 2.75Å; N272-V366 PolarHBondContact OD1-O 3.45Å; N272-Y367 HydrophobicContact CB-CD2 4.14Å; N272-Y367 WeakPolarHBondContact O-CB 3.09Å; N272-R449 PolarHBondContact OD1-NH1 3.33Å; N272-R449 PolarHBondContact OD1-NH2 2.93Å; N272-R449 VanDerWaalsContact OD1-NH2 3.16Å
273	S	91.1	Very high	82.1	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.021	22%	0.218	C	C	.	.			trans	-102.4	1.8	-176.8	80.4	0	0	0	0	113.8	R269 S270 E271 K324 D325 N365	R269-S273 VanDerWaalsContact CG-OG 3.22Å; R269-S273 WeakPolarHBondContact CG-OG 3.37Å; S270-S273 VanDerWaalsContact O-CB 3.32Å; S270-S273 WeakPolarHBondContact O-CB 3.4Å; S270-S273 PolarHBondContact O-OG 3.16Å; S270-S273 WeakPolarHBondContact OG-CB 3.14Å; E271-S273 PolarHBondContact O-N 3.01Å; E271-S273 VanDerWaalsContact O-N 3.16Å; S273-K324 CarbonylContact O-C 3.59Å; S273-K324 WeakPolarHBondContact O-CA 3.28Å; S273-D325 PolarHBondContact O-N 2.78Å; S273-N365 PolarHBondContact N-O 3.32Å
274	S	93.2	Very high	84.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.3	-173	-59.2	0	0	0	0	113	D325 N365 V366 Y367	S274-D325 CarbonylContact C-O 3.59Å; S274-D325 WeakPolarHBondContact CA-O 3.18Å; S274-N365 PolarHBondContact N-O 3.25Å; S274-V366 CarbonylContact O-C 3.53Å; S274-V366 WeakPolarHBondContact O-CA 3.15Å; S274-Y367 WeakPolarHBondContact O-CB 3.27Å; S274-Y367 PolarHBondContact O-N 2.63Å
275	V	95.4	Very high	86.9	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.9	173.6	-178.2	0	0	0	0	108.7	K324 D325 L326 L327 Y367 A368 I503 V504	V275-K324 HydrophobicContact CG2-CB 4.16Å; V275-K324 HydrophobicContact CG2-CD 3.99Å; V275-D325 PolarHBondContact N-O 2.83Å; V275-L326 HydrophobicContact CB-CD1 4.23Å; V275-L326 HydrophobicContact CG1-CD1 4.22Å; V275-L327 PolarHBondContact O-N 2.79Å; V275-Y367 HydrophobicContact CG2-CD1 3.9Å; V275-Y367 HydrophobicContact CG2-CG 4.42Å; V275-A368 WeakPolarHBondContact CA-O 3.37Å; V275-I503 HydrophobicContact CG2-CG2 4.15Å; V275-V504 HydrophobicContact CB-CG1 4.26Å; V275-V504 HydrophobicContact CG2-CG1 4.01Å
276	F	97.5	Very high	89.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.1	172.2	-76	-93.4	0	0	0	110.2	I246 L327 S329 F344 L348 V361 V366 A368 I369 I370	I246-F276 HydrophobicContact CG2-CE1 4.18Å; F276-L327 CarbonylContact C-O 3.36Å; F276-L327 WeakPolarHBondContact CA-O 3.24Å; F276-L327 HydrophobicContact CD1-CB 3.65Å; F276-L327 HydrophobicContact CE1-CB 3.6Å; F276-L327 HydrophobicContact CE1-CD1 4.3Å; F276-L327 HydrophobicContact CE1-CD2 3.76Å; F276-L327 HydrophobicContact CE1-CG 4.09Å; F276-L327 HydrophobicContact CE2-CD1 4.16Å; F276-L327 HydrophobicContact CG-CB 4.31Å; F276-L327 HydrophobicContact CZ-CB 4.21Å; F276-L327 HydrophobicContact CZ-CD1 4.03Å; F276-L327 HydrophobicContact CZ-CD2 3.82Å; F276-L327 HydrophobicContact CZ-CG 4.25Å; F276-S329 WeakPolarHBondContact CD1-OG 3.43Å; F276-F344 HydrophobicContact CD1-CE2 4.06Å; F276-F344 AromaticContact CD1-CZ 3.58Å; F276-F344 HydrophobicContact CD1-CZ 3.58Å; F276-F344 AromaticContact CE1-CE2 3.8Å; F276-F344 HydrophobicContact CE1-CE2 3.8Å; F276-F344 AromaticContact CE1-CZ 3.56Å; F276-F344 HydrophobicContact CE1-CZ 3.56Å; F276-F344 HydrophobicContact CG-CZ 4.12Å; F276-F344 HydrophobicContact CZ-CZ 4.09Å; F276-L348 HydrophobicContact CE2-CD2 4.35Å; F276-L348 HydrophobicContact CZ-CD2 4.2Å; F276-V361 HydrophobicContact CE2-CG1 3.9Å; F276-V361 HydrophobicContact CZ-CG1 3.88Å; F276-V366 HydrophobicContact CD2-CG1 4.1Å; F276-V366 HydrophobicContact CD2-CG2 4.32Å; F276-V366 HydrophobicContact CE2-CG2 3.97Å; F276-A368 PolarHBondContact N-O 3.12Å; F276-I369 HydrophobicContact CB-CG1 4.19Å; F276-I369 HydrophobicContact CB-CG2 4.42Å; F276-I369 CarbonylContact O-C 3.54Å; F276-I369 WeakPolarHBondContact O-CA 3.13Å; F276-I370 PolarHBondContact O-N 3.14Å
277	V	98.4	Very high	91.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.7	168	-170.5	0	0	0	0	107.1	L304 L326 L327 F328 S329 I370 L500	V277-L304 HydrophobicContact CB-CD1 4.12Å; V277-L304 HydrophobicContact CG1-CD1 3.52Å; V277-L326 HydrophobicContact CG2-CD1 3.74Å; V277-L327 PolarHBondContact N-O 3.2Å; V277-F328 HydrophobicContact CB-CD1 4.02Å; V277-F328 HydrophobicContact CB-CE1 4.35Å; V277-F328 HydrophobicContact CG2-CD1 4.5Å; V277-F328 HydrophobicContact CG2-CE1 4.41Å; V277-F328 CarbonylContact O-C 3.49Å; V277-F328 WeakPolarHBondContact O-CA 3.19Å; V277-S329 PolarHBondContact O-N 2.91Å; V277-I370 CarbonylContact C-O 3.6Å; V277-I370 VanDerWaalsContact CA-O 3.23Å; V277-I370 WeakPolarHBondContact CA-O 3.45Å; V277-I370 HydrophobicContact CG1-CB 4.41Å; V277-I370 HydrophobicContact CG1-CG2 4.44Å; V277-I370 HydrophobicContact CG2-CB 4.44Å; V277-L500 HydrophobicContact CG1-CD1 4.46Å; V277-L500 HydrophobicContact CG2-CD1 3.84Å; V277-L500 HydrophobicContact CG2-CD2 3.48Å; V277-L500 VanDerWaalsContact CG2-CD2 3.48Å; V277-L500 HydrophobicContact CG2-CG 4.32Å
278	L	97.9	Very high	92.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.3	-171.7	69	83.1	0	0	0	113.6	S329 L331 I369 I370 E371 L372 L443	L278-S329 CarbonylContact C-O 3.58Å; L278-S329 WeakPolarHBondContact CA-O 3.4Å; L278-L331 HydrophobicContact CD1-CD1 4.09Å; L278-L331 HydrophobicContact CD2-CD1 4.27Å; L278-I369 HydrophobicContact CD2-CG2 3.36Å; L278-I369 HydrophobicContact CG-CG2 3.94Å; L278-I370 PolarHBondContact N-O 3.46Å; L278-E371 HydrophobicContact CD1-CB 3.66Å; L278-E371 HydrophobicContact CD1-CG 3.52Å; L278-E371 HydrophobicContact CG-CB 4.19Å; L278-E371 CarbonylContact O-C 3.46Å; L278-E371 WeakPolarHBondContact O-CA 3.44Å; L278-L372 PolarHBondContact O-N 3.23Å; L278-L443 HydrophobicContact CD2-CD1 3.71Å
279	T	98	Very high	93.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.1	169.5	-174.7	0	0	0	0	109	S300 I301 L304 S329 F330 L331 L372	T279-S300 VanDerWaalsContact OG1-CB 3.23Å; T279-S300 WeakPolarHBondContact OG1-CB 3.35Å; T279-I301 HydrophobicContact CG2-CG1 4.37Å; T279-L304 HydrophobicContact CG2-CB 4.3Å; T279-L304 HydrophobicContact CG2-CD2 3.47Å; T279-L304 VanDerWaalsContact CG2-CD2 3.47Å; T279-S329 PolarHBondContact N-O 3.39Å; T279-F330 HydrophobicContact CG2-CD1 3.48Å; T279-F330 VanDerWaalsContact CG2-CD1 3.48Å; T279-F330 HydrophobicContact CG2-CE1 3.94Å; T279-F330 HydrophobicContact CG2-CG 4.24Å; T279-F330 WeakPolarHBondContact O-CA 3.49Å; T279-L331 PolarHBondContact O-N 2.84Å; T279-L372 PolarHBondContact OG1-O 3.49Å
280	R	96.2	Very high	93.4	Very high	5 Å²	5	13.7 Å²	13.7	2%	0.019	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	151.5	162.4	66	178.3	-72	177.7	-11.1	110.2	D282 V297 L331 E334 A335 E470	R280-D282 PolarHBondContact NE-O 2.98Å; R280-D282 VanDerWaalsContact NE-O 3.16Å; R280-D282 IonicContact NE-OD1 3.27Å; R280-D282 PolarHBondContact NH2-O 3.2Å; R280-V297 HydrophobicContact CG-CG2 4.18Å; R280-V297 WeakPolarHBondContact O-CG1 3.5Å; R280-L331 CarbonylContact C-O 3.46Å; R280-L331 WeakPolarHBondContact CA-O 3.14Å; R280-E334 HydrophobicContact CB-CB 3.96Å; R280-E334 HydrophobicContact CB-CG 3.9Å; R280-A335 VanDerWaalsContact NH2-CB 3.33Å; R280-E470 IonicContact CZ-OE1 2.9Å; R280-E470 IonicContact NH1-OE1 2.83Å; R280-E470 IonicContact NH2-OE1 2.97Å; R280-E470 PolarHBondContact NH2-OE1 3.03Å
281	M	94.9	Very high	93.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.			trans	-114.4	-18	178.4	-74.5	-167.5	-69.8	0	0	113.9	L243 I245 V297 I301 F330 L331 D332 A557 I570 V574	L243-M281 WeakPolarHBondContact O-CE 3.44Å; I245-M281 HydrophobicContact CD1-CE 4.07Å; I245-M281 HydrophobicContact CD1-SD 4.22Å; I245-M281 HydrophobicContact CG1-CE 4.43Å; M281-V297 WeakPolarHBondContact O-CG1 3.29Å; M281-I301 HydrophobicContact CB-CD1 4.03Å; M281-I301 HydrophobicContact CG-CD1 3.89Å; M281-I301 HydrophobicContact CG-CG1 4.11Å; M281-F330 HydrophobicContact CE-CB 3.57Å; M281-F330 WeakPolarHBondContact CE-O 3.45Å; M281-F330 HydrophobicContact CG-CB 3.74Å; M281-F330 HydrophobicContact CG-CD1 4.25Å; M281-F330 HydrophobicContact SD-CB 3.43Å; M281-F330 WeakPolarHBondContact SD-CB 3.46Å; M281-F330 HydrophobicContact SD-CD1 4.24Å; M281-F330 HydrophobicContact SD-CG 4.21Å; M281-L331 PolarHBondContact N-O 3.25Å; M281-D332 HydrophobicContact CE-CB 3.99Å; M281-A557 WeakPolarHBondContact O-CB 3.32Å; M281-I570 HydrophobicContact CB-CG2 4.37Å; M281-I570 WeakPolarHBondContact O-CG2 3.34Å; M281-V574 HydrophobicContact SD-CB 4.01Å; M281-V574 HydrophobicContact SD-CG1 3.98Å; M281-V574 HydrophobicContact SD-CG2 4.01Å
282	D	95.1	Very high	93.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.			trans	-106.8	162.2	-167.3	74.7	-52.3	0	0	0	113.6	R280 D332 N333 E334 A335 A557	R280-D282 PolarHBondContact NE-O 2.98Å; R280-D282 VanDerWaalsContact NE-O 3.16Å; R280-D282 IonicContact NE-OD1 3.27Å; R280-D282 PolarHBondContact NH2-O 3.2Å; D282-D332 WeakPolarHBondContact CB-OD1 3.46Å; D282-N333 VanDerWaalsContact CG-CA 3.49Å; D282-N333 VanDerWaalsContact OD2-C 3.23Å; D282-N333 WeakPolarHBondContact OD2-CA 3.31Å; D282-N333 PolarHBondContact OD2-N 3.34Å; D282-E334 WeakPolarHBondContact OD1-CA 3.48Å; D282-E334 WeakPolarHBondContact OD1-CB 3.41Å; D282-E334 PolarHBondContact OD1-N 3.29Å; D282-E334 PolarHBondContact OD2-N 2.83Å; D282-A335 PolarHBondContact OD1-N 2.69Å; D282-A335 WeakPolarHBondContact OD2-CA 3.37Å; D282-A335 WeakPolarHBondContact OD2-CB 3.38Å; D282-A335 PolarHBondContact OD2-N 3.2Å; D282-A557 VanDerWaalsContact CA-O 3.25Å; D282-A557 WeakPolarHBondContact CA-O 3.38Å
283	S	94.1	Very high	93.8	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.016	C	C	.	.			trans	-141.9	178.5	172.5	82.3	0	0	0	0	111.6	G291 A557 Q558	S283-G291 WeakPolarHBondContact OG-CA 3.35Å; S283-G291 PolarHBondContact OG-O 3.11Å; S283-A557 PolarHBondContact N-O 3.29Å; S283-Q558 VanDerWaalsContact O-CA 3.3Å; S283-Q558 WeakPolarHBondContact O-CA 3.28Å; S283-Q558 WeakPolarHBondContact O-CB 3.4Å
284	R	92.2	Very high	94	Very high	3 Å²	3	3.3 Å²	3.3	1%	0.011	2%	0.015	C	C	.	.			trans	-126.1	147.1	-177.7	-155.7	175.6	-153.7	144.9	6.9	110.9	Y163 A335 Y336 E470	Y163-R284 VanDerWaalsContact CE1-NH1 3.29Å; Y163-R284 VanDerWaalsContact CZ-NH1 3.29Å; Y163-R284 PolarHBondContact OH-NH1 3.09Å; Y163-R284 VanDerWaalsContact OH-NH1 3.12Å; R284-A335 HydrophobicContact CB-CB 4.17Å; R284-A335 PolarHBondContact NH1-O 3.02Å; R284-Y336 HydrophobicContact CG-CE1 4.42Å; R284-Y336 VanDerWaalsContact NH2-CD1 3.3Å; R284-E470 HydrophobicContact CB-CB 4.21Å; R284-E470 HydrophobicContact CB-CG 4.18Å; R284-E470 CarbonylContact O-C 3.55Å; R284-E470 WeakPolarHBondContact O-CA 3.1Å; R284-E470 WeakPolarHBondContact O-CB 3.49Å
285	S	94.1	Very high	94	Very high	3 Å²	3	4.3 Å²	4.3	2%	0.021	2%	0.02	C	C	.	.			trans	-151.7	157.4	167.3	178.4	0	0	0	0	108.7	E130 F287 Q558	E130-S285 VanDerWaalsContact CD-OG 3.29Å; E130-S285 PolarHBondContact OE1-OG 3.34Å; E130-S285 WeakPolarHBondContact OE2-CA 3.47Å; E130-S285 VanDerWaalsContact OE2-CB 3.28Å; E130-S285 WeakPolarHBondContact OE2-CB 3.37Å; E130-S285 PolarHBondContact OE2-OG 3.04Å; S285-F287 VanDerWaalsContact C-N 3.26Å; S285-F287 PolarHBondContact OG-N 3.24Å; S285-Q558 VanDerWaalsContact N-NE2 3.17Å; S285-Q558 PolarHBondContact O-NE2 2.81Å
286	I	94.3	Very high	93.9	Very high	10 Å²	10	4.2 Å²	4.2	5%	0.051	2%	0.019	C	C	.	.	S	Bend	trans	-67.2	-33	169.7	-160.9	-178.2	0	0	0	111	C42 F95 E130 W166	C42-I286 WeakPolarHBondContact CA-O 3.2Å; C42-I286 HydrophobicContact CB-CD1 4.48Å; C42-I286 HydrophobicContact CB-CG1 4.12Å; C42-I286 VanDerWaalsContact SG-CG1 3.53Å; F95-I286 HydrophobicContact CZ-CG2 4.39Å; E130-I286 WeakPolarHBondContact OE1-CB 3.44Å; E130-I286 WeakPolarHBondContact OE1-CG2 3.33Å; E130-I286 PolarHBondContact OE1-N 3.06Å; W166-I286 HydrophobicContact CZ2-CD1 4.26Å; W166-I286 VanDerWaalsContact NE1-CD1 3.34Å
287	F	94	Very high	93.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-96.3	133.5	-173.9	-61	-62	0	0	0	110.1	S40 F95 V115 V170 L172 S285 S290 F472 Q558	S40-F287 WeakPolarHBondContact O-CD1 3.33Å; F95-F287 AromaticContact CE1-CE2 3.91Å; F95-F287 HydrophobicContact CE1-CE2 3.91Å; F95-F287 HydrophobicContact CE1-CZ 4.16Å; F95-F287 HydrophobicContact CE2-CZ 4.38Å; F95-F287 HydrophobicContact CZ-CE2 4.03Å; F95-F287 AromaticContact CZ-CZ 3.86Å; F95-F287 HydrophobicContact CZ-CZ 3.86Å; V115-F287 HydrophobicContact CB-CZ 4.39Å; V115-F287 HydrophobicContact CG2-CZ 4.06Å; V170-F287 HydrophobicContact CG1-CE1 3.86Å; V170-F287 HydrophobicContact CG1-CZ 4.11Å; L172-F287 HydrophobicContact CB-CB 4.34Å; L172-F287 HydrophobicContact CB-CD1 3.57Å; L172-F287 HydrophobicContact CB-CD2 3.77Å; L172-F287 HydrophobicContact CB-CE1 3.69Å; L172-F287 HydrophobicContact CB-CE2 3.9Å; L172-F287 HydrophobicContact CB-CG 3.62Å; L172-F287 HydrophobicContact CB-CZ 3.86Å; L172-F287 HydrophobicContact CD1-CE2 4.4Å; L172-F287 HydrophobicContact CD2-CB 4.36Å; L172-F287 HydrophobicContact CD2-CD2 3.81Å; L172-F287 HydrophobicContact CD2-CE2 4.35Å; L172-F287 HydrophobicContact CD2-CG 4.12Å; L172-F287 HydrophobicContact CG-CD2 4.29Å; L172-F287 HydrophobicContact CG-CE2 4.45Å; L172-F287 HydrophobicContact CG-CG 4.49Å; S285-F287 VanDerWaalsContact C-N 3.26Å; S285-F287 PolarHBondContact OG-N 3.24Å; F287-S290 WeakPolarHBondContact O-CB 3.5Å; F287-S290 PolarHBondContact O-N 3.16Å; F287-F472 HydrophobicContact CD2-CB 4.49Å; F287-F472 AromaticContact CD2-CD1 3.8Å; F287-F472 HydrophobicContact CD2-CD1 3.8Å; F287-F472 HydrophobicContact CD2-CE1 4.26Å; F287-F472 HydrophobicContact CD2-CG 4.18Å; F287-F472 AromaticContact CE2-CD1 3.94Å; F287-F472 HydrophobicContact CE2-CD1 3.94Å; F287-F472 AromaticContact CE2-CE1 3.92Å; F287-F472 HydrophobicContact CE2-CE1 3.92Å; F287-Q558 PolarHBondContact O-OE1 2.9Å
288	E	89.6	Confident	93.7	Very high	3 Å²	3	4.3 Å²	4.3	1%	0.014	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	146.2	174.9	-69.7	-168.3	152.8	0	0	112	S40 F41 T43 S290 L561 R646	S40-E288 WeakPolarHBondContact CB-O 3.47Å; S40-E288 PolarHBondContact OG-O 3.02Å; F41-E288 WeakPolarHBondContact O-CG 3.48Å; F41-E288 PolarHBondContact O-N 2.98Å; T43-E288 WeakPolarHBondContact CB-OE1 3.4Å; T43-E288 HydrophobicContact CG2-CG 3.92Å; T43-E288 WeakPolarHBondContact CG2-OE1 3.37Å; T43-E288 VanDerWaalsContact OG1-CD 3.32Å; T43-E288 WeakPolarHBondContact OG1-CG 3.4Å; T43-E288 PolarHBondContact OG1-OE1 3.39Å; E288-S290 PolarHBondContact O-N 3.44Å; E288-S290 PolarHBondContact O-OG 2.85Å; E288-L561 VanDerWaalsContact OE1-CD1 3.26Å; E288-L561 WeakPolarHBondContact OE1-CD1 3.24Å; E288-R646 IonicContact OE2-CZ 2.74Å; E288-R646 IonicContact OE2-NH1 3.72Å; E288-R646 PolarHBondContact OE2-NH1 2.96Å
289	R	86.6	Confident	93.7	Very high	30 Å²	30	4.3 Å²	4.3	11%	0.113	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	23.6	-179.7	-53.4	176.4	-66.7	128.8	-10.5	113.2	L36 T39 F292 Y560 L563	L36-R289 PolarHBondContact O-NH2 3.37Å; T39-R289 PolarHBondContact O-NH2 2.94Å; R289-F292 WeakPolarHBondContact O-CE1 3.45Å; R289-F292 WeakPolarHBondContact O-CZ 3.35Å; R289-Y560 HydrophobicContact CG-CD1 4.32Å; R289-Y560 HydrophobicContact CG-CD2 3.39Å; R289-Y560 HydrophobicContact CG-CE2 3.84Å; R289-Y560 HydrophobicContact CG-CG 3.69Å; R289-L563 VanDerWaalsContact CD-CD1 3.42Å
290	S	89.6	Confident	93.6	Very high	4 Å²	4	4.4 Å²	4.4	3%	0.028	2%	0.02	C	C	.	.			trans	-127.3	-5.8	-176.8	-56.1	0	0	0	0	114	S40 F287 E288 F292 F472	S40-S290 PolarHBondContact OG-OG 3.21Å; F287-S290 WeakPolarHBondContact O-CB 3.5Å; F287-S290 PolarHBondContact O-N 3.16Å; E288-S290 PolarHBondContact O-N 3.44Å; E288-S290 PolarHBondContact O-OG 2.85Å; S290-F292 VanDerWaalsContact C-N 3.34Å; S290-F292 WeakPolarHBondContact O-CD2 3.42Å; S290-F292 WeakPolarHBondContact O-CE2 3.27Å; S290-F292 PolarHBondContact O-N 3.27Å; S290-F472 WeakPolarHBondContact O-CA 3.36Å
291	G	90.9	Very high	93.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.019	C	C	.	.			trans	-76.7	84.8	167.7	0	0	0	0	0	111.1	S283 P556 A557 Q558	S283-G291 WeakPolarHBondContact OG-CA 3.35Å; S283-G291 PolarHBondContact OG-O 3.11Å; G291-P556 CarbonylContact O-C 3.58Å; G291-P556 WeakPolarHBondContact O-CA 3.4Å; G291-A557 WeakPolarHBondContact O-CA 3.43Å; G291-A557 PolarHBondContact O-N 2.93Å; G291-Q558 PolarHBondContact O-N 3.27Å
292	F	92.1	Very high	93.8	Very high	9 Å²	9	4.1 Å²	4.1	4%	0.039	2%	0.019	C	C	.	.			trans	-82.6	-51.4	-175.2	-57.6	-64.3	0	0	0	112.8	R289 S290 D474 T475 T553 P554 P556 A557	R289-F292 WeakPolarHBondContact O-CE1 3.45Å; R289-F292 WeakPolarHBondContact O-CZ 3.35Å; S290-F292 VanDerWaalsContact C-N 3.34Å; S290-F292 WeakPolarHBondContact O-CD2 3.42Å; S290-F292 WeakPolarHBondContact O-CE2 3.27Å; S290-F292 PolarHBondContact O-N 3.27Å; F292-D474 WeakPolarHBondContact CB-O 3.49Å; F292-T475 HydrophobicContact CD2-CG2 3.29Å; F292-T475 HydrophobicContact CE2-CG2 3.49Å; F292-T475 VanDerWaalsContact CE2-CG2 3.49Å; F292-T475 HydrophobicContact CG-CG2 4.11Å; F292-T475 HydrophobicContact CZ-CG2 4.45Å; F292-T553 HydrophobicContact CZ-CG2 4.09Å; F292-P554 HydrophobicContact CB-CB 4.24Å; F292-P554 HydrophobicContact CD1-CB 3.88Å; F292-P554 HydrophobicContact CD1-CG 4.38Å; F292-P554 WeakPolarHBondContact CD1-O 3.38Å; F292-P554 WeakPolarHBondContact CE1-O 3.47Å; F292-P554 HydrophobicContact CG-CB 4.22Å; F292-P554 HydrophobicContact CG-CG 4.46Å; F292-P556 HydrophobicContact CD1-CB 4.28Å; F292-P556 HydrophobicContact CE1-CB 4.45Å; F292-A557 WeakPolarHBondContact O-CB 3.13Å
293	S	94.4	Very high	94	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.014	2%	0.019	C	C	.	.			trans	58.3	43.5	-178	-160	0	0	0	0	113.5	Q295 G296 V297 L298 D474	S293-Q295 PolarHBondContact O-N 2.93Å; S293-G296 PolarHBondContact O-N 3.25Å; S293-V297 PolarHBondContact O-N 2.93Å; S293-V297 VanDerWaalsContact O-N 3.16Å; S293-V297 WeakPolarHBondContact OG-CB 3.43Å; S293-V297 WeakPolarHBondContact OG-CG2 3.25Å; S293-V297 PolarHBondContact OG-N 3.32Å; S293-L298 PolarHBondContact O-N 2.67Å; S293-D474 VanDerWaalsContact CA-OD2 3.27Å; S293-D474 WeakPolarHBondContact CA-OD2 3.44Å; S293-D474 PolarHBondContact N-O 3.33Å
294	S	94.6	Very high	94.2	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.5	-178.1	-68	0	0	0	0	113.5	P299 D474 T475 M524 S528	S294-P299 WeakPolarHBondContact O-CD 3.22Å; S294-D474 WeakPolarHBondContact CB-O 3.38Å; S294-D474 PolarHBondContact N-O 3.13Å; S294-D474 PolarHBondContact N-OD1 2.93Å; S294-D474 PolarHBondContact OG-O 3.27Å; S294-T475 VanDerWaalsContact OG-C 3.26Å; S294-T475 PolarHBondContact OG-O 3.41Å; S294-M524 WeakPolarHBondContact O-CE 3.26Å; S294-S528 PolarHBondContact OG-OG 3.06Å
295	Q	94.2	Very high	94.5	Very high	20 Å²	20	4 Å²	4	9%	0.093	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-24.6	179.7	-62.7	176.2	11.6	0	0	113.5	S293 G376 L377 D474 K476 W477 P479	S293-Q295 PolarHBondContact O-N 2.93Å; Q295-G376 WeakPolarHBondContact O-CA 2.9Å; Q295-L377 HydrophobicContact CB-CD1 4.4Å; Q295-L377 HydrophobicContact CB-CD2 4.35Å; Q295-L377 HydrophobicContact CB-CG 4.34Å; Q295-L377 HydrophobicContact CG-CD2 4.49Å; Q295-D474 WeakPolarHBondContact CB-OD1 3.38Å; Q295-D474 WeakPolarHBondContact CG-OD1 3.31Å; Q295-D474 PolarHBondContact N-OD1 3.17Å; Q295-D474 PolarHBondContact N-OD2 3.42Å; Q295-K476 WeakPolarHBondContact CG-O 3.25Å; Q295-K476 PolarHBondContact NE2-O 3.44Å; Q295-W477 HydrophobicContact CG-CE3 4.41Å; Q295-P479 HydrophobicContact CG-CG 4.28Å
296	G	93	Very high	94.6	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-62.7	-178	0	0	0	0	0	113.8	S293 E374	S293-G296 PolarHBondContact O-N 3.25Å; G296-E374 WeakPolarHBondContact CA-OE1 2.99Å; G296-E374 VanDerWaalsContact CA-OE2 3.22Å; G296-E374 WeakPolarHBondContact CA-OE2 3.42Å
297	V	95.5	Very high	94.8	Very high	2 Å²	2	3.4 Å²	3.4	1%	0.012	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-46.7	-165.8	172.1	0	0	0	0	112.5	R280 M281 S293 P299 S300 I301	R280-V297 HydrophobicContact CG-CG2 4.18Å; R280-V297 WeakPolarHBondContact O-CG1 3.5Å; M281-V297 WeakPolarHBondContact O-CG1 3.29Å; S293-V297 PolarHBondContact O-N 2.93Å; S293-V297 VanDerWaalsContact O-N 3.16Å; S293-V297 WeakPolarHBondContact OG-CB 3.43Å; S293-V297 WeakPolarHBondContact OG-CG2 3.25Å; S293-V297 PolarHBondContact OG-N 3.32Å; V297-P299 VanDerWaalsContact C-CD 3.45Å; V297-P299 VanDerWaalsContact C-N 3.34Å; V297-S300 PolarHBondContact O-N 3.01Å; V297-I301 HydrophobicContact CG1-CD1 3.9Å; V297-I301 HydrophobicContact CG1-CG1 4.22Å; V297-I301 PolarHBondContact O-N 3.43Å
298	L	96.2	Very high	94.9	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-55.9	-40.2	-175.9	-59.6	-175.9	0	0	0	113.6	S293 S300 I301 A302 M524 F527 I570	S293-L298 PolarHBondContact O-N 2.67Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.02Å; L298-I301 HydrophobicContact CD2-CD1 4.21Å; L298-I301 PolarHBondContact O-N 2.79Å; L298-A302 WeakPolarHBondContact O-CB 3.42Å; L298-A302 PolarHBondContact O-N 2.85Å; L298-M524 HydrophobicContact CB-CE 3.82Å; L298-M524 HydrophobicContact CB-SD 3.82Å; L298-F527 HydrophobicContact CD1-CB 4.06Å; L298-F527 HydrophobicContact CD2-CD2 4.19Å; L298-I570 HydrophobicContact CD2-CD1 3.84Å; L298-I570 HydrophobicContact CD2-CG1 4.18Å
299	P	97.1	Very high	95.2	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-57.7	-40.2	176.3	-30.5	40.4	0	0	0	113.6	S294 V297 A302 V303 W477 L489 M524	S294-P299 WeakPolarHBondContact O-CD 3.22Å; V297-P299 VanDerWaalsContact C-CD 3.45Å; V297-P299 VanDerWaalsContact C-N 3.34Å; P299-A302 PolarHBondContact O-N 2.99Å; P299-V303 WeakPolarHBondContact O-CB 3.24Å; P299-V303 VanDerWaalsContact O-CG2 3.3Å; P299-V303 WeakPolarHBondContact O-CG2 3.29Å; P299-V303 PolarHBondContact O-N 3.05Å; P299-W477 HydrophobicContact CB-CH2 4.26Å; P299-W477 HydrophobicContact CB-CZ3 4.38Å; P299-W477 HydrophobicContact CG-CE3 4.01Å; P299-W477 HydrophobicContact CG-CH2 3.87Å; P299-W477 HydrophobicContact CG-CZ3 3.52Å; P299-L489 HydrophobicContact CB-CD1 3.87Å; P299-L489 HydrophobicContact CB-CD2 4.06Å; P299-M524 HydrophobicContact CG-CE 4.01Å; P299-M524 HydrophobicContact CG-SD 4.37Å
300	S	97.4	Very high	95.6	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.007	2%	0.018	C	C	.	.	H	α-helix	trans	-70	-39.8	-179	-53.2	0	0	0	0	111.5	T279 V297 L298 L304	T279-S300 VanDerWaalsContact OG1-CB 3.23Å; T279-S300 WeakPolarHBondContact OG1-CB 3.35Å; V297-S300 PolarHBondContact O-N 3.01Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 3.02Å; S300-L304 WeakPolarHBondContact O-CB 3.34Å; S300-L304 PolarHBondContact O-N 2.66Å
301	I	97.7	Very high	95.7	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-60.8	-49.9	172.5	-58.4	176	0	0	0	110.2	T279 M281 V297 L298 V303 L304 I305 F330 F527 I570 V574	T279-I301 HydrophobicContact CG2-CG1 4.37Å; M281-I301 HydrophobicContact CB-CD1 4.03Å; M281-I301 HydrophobicContact CG-CD1 3.89Å; M281-I301 HydrophobicContact CG-CG1 4.11Å; V297-I301 HydrophobicContact CG1-CD1 3.9Å; V297-I301 HydrophobicContact CG1-CG1 4.22Å; V297-I301 PolarHBondContact O-N 3.43Å; L298-I301 HydrophobicContact CD2-CD1 4.21Å; L298-I301 PolarHBondContact O-N 2.79Å; I301-V303 PolarHBondContact O-N 3.45Å; I301-L304 PolarHBondContact O-N 2.97Å; I301-I305 HydrophobicContact CG2-CD1 3.69Å; I301-I305 HydrophobicContact CG2-CG1 4.26Å; I301-I305 WeakPolarHBondContact O-CG1 3.4Å; I301-I305 PolarHBondContact O-N 2.83Å; I301-F330 HydrophobicContact CG2-CD1 4.32Å; I301-F330 HydrophobicContact CG2-CE1 4.16Å; I301-F527 HydrophobicContact CG2-CE2 3.94Å; I301-I570 HydrophobicContact CD1-CD1 4.45Å; I301-I570 HydrophobicContact CD1-CG1 3.82Å; I301-V574 HydrophobicContact CG2-CG2 3.54Å
302	A	97.8	Very high	95.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.9	-45.4	-178.1	0	0	0	0	0	111.7	L298 P299 S306 P520 I523 M524	L298-A302 WeakPolarHBondContact O-CB 3.42Å; L298-A302 PolarHBondContact O-N 2.85Å; P299-A302 PolarHBondContact O-N 2.99Å; A302-S306 WeakPolarHBondContact O-CB 3.47Å; A302-S306 PolarHBondContact O-N 3.15Å; A302-S306 PolarHBondContact O-OG 3.38Å; A302-P520 HydrophobicContact CB-CB 4.26Å; A302-I523 HydrophobicContact CB-CB 3.94Å; A302-I523 HydrophobicContact CB-CG2 3.87Å; A302-M524 HydrophobicContact CB-CG 3.79Å; A302-M524 HydrophobicContact CB-SD 3.78Å
303	V	98.3	Very high	95.4	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.5	-49.6	173.8	167	0	0	0	0	111	P299 I301 I305 S306 V307 L372 L489 F492 A493 L496 P520	P299-V303 WeakPolarHBondContact O-CB 3.24Å; P299-V303 VanDerWaalsContact O-CG2 3.3Å; P299-V303 WeakPolarHBondContact O-CG2 3.29Å; P299-V303 PolarHBondContact O-N 3.05Å; I301-V303 PolarHBondContact O-N 3.45Å; V303-I305 PolarHBondContact O-N 3.31Å; V303-S306 PolarHBondContact O-N 3.36Å; V303-V307 HydrophobicContact CG1-CG2 4.25Å; V303-V307 WeakPolarHBondContact O-CB 3.31Å; V303-V307 VanDerWaalsContact O-CG2 3.25Å; V303-V307 WeakPolarHBondContact O-CG2 3.22Å; V303-V307 PolarHBondContact O-N 3.44Å; V303-L372 HydrophobicContact CG1-CD1 4.03Å; V303-L489 HydrophobicContact CG2-CB 4.24Å; V303-L489 HydrophobicContact CG2-CD2 4.04Å; V303-F492 HydrophobicContact CG1-CD1 3.8Å; V303-F492 HydrophobicContact CG1-CE1 3.9Å; V303-F492 HydrophobicContact CG2-CD1 4.29Å; V303-A493 HydrophobicContact CG1-CB 4.05Å; V303-A493 HydrophobicContact CG2-CB 4.44Å; V303-L496 HydrophobicContact CG1-CD2 4.08Å; V303-P520 HydrophobicContact CG2-CB 4.29Å; V303-P520 HydrophobicContact CG2-CG 4.26Å
304	L	98.2	Very high	94.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.7	-40.3	-175	-167.1	60	0	0	0	112.5	V277 T279 S300 I301 V307 A308 F328 F330 L372	V277-L304 HydrophobicContact CB-CD1 4.12Å; V277-L304 HydrophobicContact CG1-CD1 3.52Å; T279-L304 HydrophobicContact CG2-CB 4.3Å; T279-L304 HydrophobicContact CG2-CD2 3.47Å; T279-L304 VanDerWaalsContact CG2-CD2 3.47Å; S300-L304 WeakPolarHBondContact O-CB 3.34Å; S300-L304 PolarHBondContact O-N 2.66Å; I301-L304 PolarHBondContact O-N 2.97Å; L304-V307 PolarHBondContact O-N 3.07Å; L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.35Å; L304-A308 PolarHBondContact O-N 2.88Å; L304-F328 HydrophobicContact CD1-CD1 3.62Å; L304-F328 HydrophobicContact CD1-CE1 4.23Å; L304-F328 HydrophobicContact CG-CD1 4.3Å; L304-F330 HydrophobicContact CB-CE1 3.82Å; L304-F330 HydrophobicContact CB-CZ 3.93Å; L304-F330 HydrophobicContact CD2-CD1 4.08Å; L304-F330 HydrophobicContact CD2-CD2 4.43Å; L304-F330 HydrophobicContact CD2-CE1 3.7Å; L304-F330 HydrophobicContact CD2-CE2 4.06Å; L304-F330 HydrophobicContact CD2-CG 4.43Å; L304-F330 HydrophobicContact CD2-CZ 3.68Å; L304-F330 HydrophobicContact CG-CE1 3.92Å; L304-F330 HydrophobicContact CG-CE2 4.31Å; L304-F330 HydrophobicContact CG-CZ 3.65Å; L304-L372 HydrophobicContact CB-CD1 4.17Å; L304-L372 HydrophobicContact CD1-CD1 4.11Å
305	I	98.1	Very high	93.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-51.2	174.3	-65.9	171.2	0	0	0	110.1	I301 V303 V307 A308 V309 F330 I523 F527 V574 L578 L581	I301-I305 HydrophobicContact CG2-CD1 3.69Å; I301-I305 HydrophobicContact CG2-CG1 4.26Å; I301-I305 WeakPolarHBondContact O-CG1 3.4Å; I301-I305 PolarHBondContact O-N 2.83Å; V303-I305 PolarHBondContact O-N 3.31Å; I305-V307 VanDerWaalsContact C-N 3.31Å; I305-V307 PolarHBondContact O-N 3.12Å; I305-A308 PolarHBondContact O-N 3.45Å; I305-V309 HydrophobicContact CG2-CG2 4.23Å; I305-V309 VanDerWaalsContact O-CG2 3.26Å; I305-V309 WeakPolarHBondContact O-CG2 3.49Å; I305-V309 PolarHBondContact O-N 2.69Å; I305-F330 HydrophobicContact CG1-CE1 3.8Å; I305-F330 HydrophobicContact CG1-CZ 3.79Å; I305-I523 HydrophobicContact CB-CD1 3.69Å; I305-I523 HydrophobicContact CD1-CD1 4.49Å; I305-I523 HydrophobicContact CD1-CG2 4.44Å; I305-I523 HydrophobicContact CG2-CD1 3.52Å; I305-F527 HydrophobicContact CD1-CZ 4.49Å; I305-V574 HydrophobicContact CD1-CG1 4.11Å; I305-V574 HydrophobicContact CD1-CG2 4.21Å; I305-V574 HydrophobicContact CG1-CG1 4.47Å; I305-L578 HydrophobicContact CB-CD2 4.44Å; I305-L578 HydrophobicContact CG1-CD2 4.04Å; I305-L578 HydrophobicContact CG2-CD2 4.2Å; I305-L581 HydrophobicContact CG2-CD1 4.06Å
306	S	98	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-43	179.9	-74.5	0	0	0	0	112.5	A302 V303 H310 P518 P520	A302-S306 WeakPolarHBondContact O-CB 3.47Å; A302-S306 PolarHBondContact O-N 3.15Å; A302-S306 PolarHBondContact O-OG 3.38Å; V303-S306 PolarHBondContact O-N 3.36Å; S306-H310 WeakPolarHBondContact O-CB 3.17Å; S306-H310 PolarHBondContact O-N 2.82Å; S306-P518 VanDerWaalsContact CB-O 3.27Å; S306-P518 WeakPolarHBondContact CB-O 3.34Å; S306-P518 PolarHBondContact OG-O 2.81Å; S306-P520 WeakPolarHBondContact OG-CD 3.46Å; S306-P520 VanDerWaalsContact OG-N 3.11Å
307	V	97.5	Very high	91.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-43.8	177.5	169.4	0	0	0	0	111.2	V303 L304 I305 H310 L311 F328 A493 L496 A497 L500 I515	V303-V307 HydrophobicContact CG1-CG2 4.25Å; V303-V307 WeakPolarHBondContact O-CB 3.31Å; V303-V307 VanDerWaalsContact O-CG2 3.25Å; V303-V307 WeakPolarHBondContact O-CG2 3.22Å; V303-V307 PolarHBondContact O-N 3.44Å; L304-V307 PolarHBondContact O-N 3.07Å; I305-V307 VanDerWaalsContact C-N 3.31Å; I305-V307 PolarHBondContact O-N 3.12Å; V307-H310 PolarHBondContact O-N 3.43Å; V307-L311 HydrophobicContact CG1-CD1 3.72Å; V307-L311 HydrophobicContact CG1-CG 4.46Å; V307-L311 WeakPolarHBondContact O-CB 3.48Å; V307-L311 WeakPolarHBondContact O-CG 3.43Å; V307-L311 PolarHBondContact O-N 2.85Å; V307-F328 HydrophobicContact CG1-CE1 4.23Å; V307-A493 HydrophobicContact CG2-CB 3.9Å; V307-A493 WeakPolarHBondContact CG2-O 3.23Å; V307-L496 HydrophobicContact CG2-CB 4.42Å; V307-L496 HydrophobicContact CG2-CD2 4.25Å; V307-L496 HydrophobicContact CG2-CG 4.48Å; V307-A497 HydrophobicContact CG1-CB 4.16Å; V307-A497 HydrophobicContact CG2-CB 4.36Å; V307-L500 HydrophobicContact CG1-CD1 3.81Å; V307-I515 HydrophobicContact CG2-CD1 4.14Å
308	A	96	Very high	89.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-49.8	178.4	0	0	0	0	0	112	L247 L304 I305 H310 L311 M312 F328	L247-A308 HydrophobicContact CD2-CB 4.32Å; L304-A308 VanDerWaalsContact O-CB 3.25Å; L304-A308 WeakPolarHBondContact O-CB 3.35Å; L304-A308 PolarHBondContact O-N 2.88Å; I305-A308 PolarHBondContact O-N 3.45Å; A308-H310 PolarHBondContact O-N 3.01Å; A308-L311 PolarHBondContact O-N 3.16Å; A308-M312 WeakPolarHBondContact O-CB 3.43Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.35Å; A308-M312 PolarHBondContact O-N 2.7Å; A308-F328 VanDerWaalsContact CA-CE2 3.49Å; A308-F328 HydrophobicContact CB-CB 4.37Å; A308-F328 HydrophobicContact CB-CD1 4.13Å; A308-F328 HydrophobicContact CB-CD2 3.43Å; A308-F328 VanDerWaalsContact CB-CD2 3.43Å; A308-F328 HydrophobicContact CB-CE1 4.27Å; A308-F328 HydrophobicContact CB-CE2 3.57Å; A308-F328 HydrophobicContact CB-CG 3.71Å; A308-F328 HydrophobicContact CB-CZ 4.01Å
309	V	95.5	Very high	88.2	Confident	19 Å²	19	32.3 Å²	32.3	12%	0.115	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-45.8	178.7	176.5	0	0	0	0	110.9	I305 M312 G313 L581 T582	I305-V309 HydrophobicContact CG2-CG2 4.23Å; I305-V309 VanDerWaalsContact O-CG2 3.26Å; I305-V309 WeakPolarHBondContact O-CG2 3.49Å; I305-V309 PolarHBondContact O-N 2.69Å; V309-M312 PolarHBondContact O-N 2.98Å; V309-G313 PolarHBondContact O-N 3.39Å; V309-L581 HydrophobicContact CG1-CB 4.31Å; V309-L581 HydrophobicContact CG2-CB 3.59Å; V309-L581 HydrophobicContact CG2-CD1 4.07Å; V309-L581 HydrophobicContact CG2-CG 4.39Å; V309-T582 HydrophobicContact CB-CG2 4.38Å; V309-T582 HydrophobicContact CG2-CG2 3.67Å
310	H	95	Very high	86.1	Confident	16 Å²	16	37 Å²	37	7%	0.074	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-47.7	-179.2	-178.6	63.2	0	0	0	112.3	S306 V307 A308 G313 Q314 I511 S513 N514 I515	S306-H310 WeakPolarHBondContact O-CB 3.17Å; S306-H310 PolarHBondContact O-N 2.82Å; V307-H310 PolarHBondContact O-N 3.43Å; A308-H310 PolarHBondContact O-N 3.01Å; H310-G313 PolarHBondContact O-N 3.43Å; H310-Q314 PolarHBondContact CE1-NE2 3.46Å; H310-Q314 PolarHBondContact ND1-NE2 3.22Å; H310-Q314 PolarHBondContact NE2-NE2 2.85Å; H310-Q314 WeakPolarHBondContact O-CG 3.42Å; H310-Q314 PolarHBondContact O-N 3.18Å; H310-Q314 PolarHBondContact O-NE2 2.93Å; H310-I511 VanDerWaalsContact CD2-CD1 3.5Å; H310-I511 WeakPolarHBondContact CD2-CD1 3.32Å; H310-I511 WeakPolarHBondContact NE2-CD1 3.26Å; H310-S513 PolarHBondContact CE1-O 3.19Å; H310-S513 VanDerWaalsContact CE1-O 3.28Å; H310-S513 PolarHBondContact NE2-O 3.47Å; H310-N514 PolarHBondContact CE1-O 3.45Å; H310-I515 HydrophobicContact CB-CB 4.49Å; H310-I515 HydrophobicContact CB-CG1 3.75Å; H310-I515 HydrophobicContact CB-CG2 4.48Å
311	L	92.1	Very high	84.4	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-51.9	178.2	-78.4	169.4	0	0	0	110.3	V307 A308 G313 Q314 L317 L326 F328 A497 L500 H501 I511	V307-L311 HydrophobicContact CG1-CD1 3.72Å; V307-L311 HydrophobicContact CG1-CG 4.46Å; V307-L311 WeakPolarHBondContact O-CB 3.48Å; V307-L311 WeakPolarHBondContact O-CG 3.43Å; V307-L311 PolarHBondContact O-N 2.85Å; A308-L311 PolarHBondContact O-N 3.16Å; L311-G313 PolarHBondContact O-N 3.23Å; L311-G313 VanDerWaalsContact O-N 3.12Å; L311-Q314 WeakPolarHBondContact O-CB 3.39Å; L311-Q314 PolarHBondContact O-N 3.44Å; L311-L317 HydrophobicContact CB-CD1 3.74Å; L311-L317 WeakPolarHBondContact O-CD1 3.33Å; L311-L326 HydrophobicContact CD1-CD2 3.9Å; L311-F328 HydrophobicContact CD1-CE1 4.5Å; L311-F328 HydrophobicContact CD1-CZ 3.83Å; L311-A497 HydrophobicContact CG-CB 4.43Å; L311-L500 HydrophobicContact CD1-CB 4.11Å; L311-L500 HydrophobicContact CD1-CD1 4.12Å; L311-H501 HydrophobicContact CD2-CB 4.13Å; L311-I511 HydrophobicContact CD2-CD1 3.64Å; L311-I511 HydrophobicContact CG-CD1 4.5Å
312	M	89.9	Confident	83.3	Confident	31 Å²	31	44.4 Å²	44.4	15%	0.153	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-24	-179.4	-69.5	-179.3	70.6	0	0	113.7	L247 A249 A308 V309 T582	L247-M312 HydrophobicContact CD1-CE 4.29Å; L247-M312 HydrophobicContact CD1-SD 4.27Å; L247-M312 HydrophobicContact CD2-SD 3.73Å; L247-M312 HydrophobicContact CG-SD 4Å; A249-M312 HydrophobicContact CB-CG 3.82Å; A249-M312 HydrophobicContact CB-SD 4.34Å; A308-M312 WeakPolarHBondContact O-CB 3.43Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.35Å; A308-M312 PolarHBondContact O-N 2.7Å; V309-M312 PolarHBondContact O-N 2.98Å; M312-T582 HydrophobicContact SD-CG2 3.9Å
313	G	87.8	Confident	82.5	Confident	54 Å²	54	48.9 Å²	48.9	56%	0.557	25%	0.253	S	S	*	.	H	α-helix	trans	-76.6	-17.1	173	0	0	0	0	0	114.8	V309 H310 L311	V309-G313 PolarHBondContact O-N 3.39Å; H310-G313 PolarHBondContact O-N 3.43Å; L311-G313 PolarHBondContact O-N 3.23Å; L311-G313 VanDerWaalsContact O-N 3.12Å
314	Q	83.8	Confident	82	Confident	22 Å²	22	49.3 Å²	49.3	10%	0.103	26%	0.255	C	S	.	.	S	Bend	trans	-71.1	138.6	-178.5	-64.1	-55.5	-42.8	0	0	111.9	H310 L311 T316 L317 K318 I511 S512 S513	H310-Q314 PolarHBondContact CE1-NE2 3.46Å; H310-Q314 PolarHBondContact ND1-NE2 3.22Å; H310-Q314 PolarHBondContact NE2-NE2 2.85Å; H310-Q314 WeakPolarHBondContact O-CG 3.42Å; H310-Q314 PolarHBondContact O-N 3.18Å; H310-Q314 PolarHBondContact O-NE2 2.93Å; L311-Q314 WeakPolarHBondContact O-CB 3.39Å; L311-Q314 PolarHBondContact O-N 3.44Å; Q314-T316 VanDerWaalsContact C-N 3.25Å; Q314-T316 PolarHBondContact O-N 3.16Å; Q314-L317 WeakPolarHBondContact O-CB 3.46Å; Q314-L317 PolarHBondContact O-N 3.07Å; Q314-L317 VanDerWaalsContact O-N 3.08Å; Q314-K318 PolarHBondContact O-N 2.83Å; Q314-I511 HydrophobicContact CG-CD1 4.02Å; Q314-I511 HydrophobicContact CG-CG1 4.2Å; Q314-S512 PolarHBondContact OE1-OG 3.4Å; Q314-S513 PolarHBondContact NE2-OG 2.86Å; Q314-S513 PolarHBondContact OE1-OG 2.73Å
315	R	72.8	Confident	81.6	Confident	199 Å²	199	49.3 Å²	49.3	75%	0.751	26%	0.255	S	S	*	.	H	α-helix	trans	-61.6	-34	175.8	-68	-172	-176.2	175.5	0.8	112.7	L317 K318 D319	R315-L317 PolarHBondContact O-N 3.15Å; R315-K318 WeakPolarHBondContact O-CA 3.3Å; R315-K318 PolarHBondContact O-N 3.12Å; R315-D319 WeakPolarHBondContact O-CB 3.46Å; R315-D319 PolarHBondContact O-N 2.96Å
316	T	66	Low	81.3	Confident	62 Å²	62	49.3 Å²	49.3	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-55.9	-36.2	175.3	48.6	0	0	0	0	111.6	Q314 F322 H501	Q314-T316 VanDerWaalsContact C-N 3.25Å; Q314-T316 PolarHBondContact O-N 3.16Å; T316-F322 WeakPolarHBondContact O-CE2 3.5Å; T316-H501 PolarHBondContact OG1-NE2 3.01Å
317	L	66.3	Low	81.2	Confident	23 Å²	23	49.3 Å²	49.3	12%	0.12	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-28.4	173.1	-108.5	151.3	0	0	0	114.6	A249 T250 L311 Q314 R315 F322	A249-L317 HydrophobicContact CB-CD2 4.37Å; T250-L317 HydrophobicContact CG2-CD2 3.44Å; T250-L317 VanDerWaalsContact CG2-CD2 3.44Å; L311-L317 HydrophobicContact CB-CD1 3.74Å; L311-L317 WeakPolarHBondContact O-CD1 3.33Å; Q314-L317 WeakPolarHBondContact O-CB 3.46Å; Q314-L317 PolarHBondContact O-N 3.07Å; Q314-L317 VanDerWaalsContact O-N 3.08Å; R315-L317 PolarHBondContact O-N 3.15Å; L317-F322 VanDerWaalsContact CA-CE2 3.49Å; L317-F322 HydrophobicContact CB-CE2 4.18Å; L317-F322 HydrophobicContact CB-CZ 4.35Å; L317-F322 HydrophobicContact CD1-CZ 4.13Å; L317-F322 HydrophobicContact CD2-CD2 4.29Å; L317-F322 HydrophobicContact CD2-CE2 3.92Å; L317-F322 HydrophobicContact CD2-CZ 4.07Å; L317-F322 HydrophobicContact CG-CD2 4.43Å; L317-F322 HydrophobicContact CG-CE1 4.24Å; L317-F322 HydrophobicContact CG-CE2 3.6Å; L317-F322 HydrophobicContact CG-CZ 3.47Å; L317-F322 VanDerWaalsContact CG-CZ 3.47Å
318	K	65.9	Low	81.2	Confident	132 Å²	132	49.3 Å²	49.3	57%	0.574	26%	0.255	S	S	*	.	H	α-helix	trans	-90.6	-32.9	-179.5	-62	-164.2	179.2	-156.9	0	113.6	Q314 R315 E584	Q314-K318 PolarHBondContact O-N 2.83Å; R315-K318 WeakPolarHBondContact O-CA 3.3Å; R315-K318 PolarHBondContact O-N 3.12Å; K318-E584 IonicContact NZ-OE1 3.6Å
319	D	60.5	Low	81.3	Confident	118 Å²	118	49.3 Å²	49.3	63%	0.631	26%	0.255	S	S	*	.	H	α-helix	trans	-100.7	5.9	-164.2	-63.3	-26.6	0	0	0	114.9	R315	R315-D319 WeakPolarHBondContact O-CB 3.46Å; R315-D319 PolarHBondContact O-N 2.96Å
320	S	53.1	Low	81.4	Confident	99 Å²	99	48.4 Å²	48.4	69%	0.692	25%	0.25	S	C	*	.	S	Bend	trans	98.7	158.8	171.1	75.2	0	0	0	0	120.1
321	Q	63.4	Low	81.6	Confident	134 Å²	134	47.7 Å²	47.7	63%	0.626	25%	0.246	S	C	*	.			trans	85.6	52.8	-179.7	-63.1	-164.9	-3.2	0	0	119.5	A506	Q321-A506 HydrophobicContact CB-CB 4.38Å; Q321-A506 PolarHBondContact O-N 2.82Å
322	F	73.7	Confident	81.7	Confident	23 Å²	23	47.7 Å²	47.7	10%	0.101	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-82.3	124	155	-75.2	-89.7	0	0	0	109.6	T250 N254 T316 L317 V504	T250-F322 HydrophobicContact CG2-CB 3.95Å; T250-F322 HydrophobicContact CG2-CD1 3.86Å; T250-F322 HydrophobicContact CG2-CD2 3.82Å; T250-F322 HydrophobicContact CG2-CE1 4.48Å; T250-F322 HydrophobicContact CG2-CG 3.51Å; N254-F322 PolarHBondContact ND2-O 3.28Å; T316-F322 WeakPolarHBondContact O-CE2 3.5Å; L317-F322 VanDerWaalsContact CA-CE2 3.49Å; L317-F322 HydrophobicContact CB-CE2 4.18Å; L317-F322 HydrophobicContact CB-CZ 4.35Å; L317-F322 HydrophobicContact CD1-CZ 4.13Å; L317-F322 HydrophobicContact CD2-CD2 4.29Å; L317-F322 HydrophobicContact CD2-CE2 3.92Å; L317-F322 HydrophobicContact CD2-CZ 4.07Å; L317-F322 HydrophobicContact CG-CD2 4.43Å; L317-F322 HydrophobicContact CG-CE1 4.24Å; L317-F322 HydrophobicContact CG-CE2 3.6Å; L317-F322 HydrophobicContact CG-CZ 3.47Å; L317-F322 VanDerWaalsContact CG-CZ 3.47Å; F322-V504 CarbonylContact C-O 3.58Å; F322-V504 WeakPolarHBondContact CA-O 3.5Å; F322-V504 HydrophobicContact CD1-CB 3.68Å; F322-V504 HydrophobicContact CD1-CG2 3.35Å; F322-V504 WeakPolarHBondContact CD1-O 3.45Å; F322-V504 HydrophobicContact CE1-CB 4.13Å; F322-V504 HydrophobicContact CE1-CG2 3.27Å
323	E	81.4	Confident	82	Confident	93 Å²	93	46.2 Å²	46.2	44%	0.435	24%	0.239	S	C	.	.	S	Bend	trans	-70.3	-31	171.2	-164.1	-156.3	139.7	0	0	110.2	N254 V504	N254-E323 PolarHBondContact ND2-O 3.26Å; E323-V504 PolarHBondContact N-O 2.64Å
324	K	87.8	Confident	82.3	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.039	21%	0.213	C	C	.	.	S	Bend	trans	-132.6	140	-176.6	-59.7	174.2	-173.8	65.8	0	110.5	S273 V275 Y367 V504	S273-K324 CarbonylContact O-C 3.59Å; S273-K324 WeakPolarHBondContact O-CA 3.28Å; V275-K324 HydrophobicContact CG2-CB 4.16Å; V275-K324 HydrophobicContact CG2-CD 3.99Å; K324-Y367 HydrophobicContact CD-CD1 3.92Å; K324-Y367 HydrophobicContact CD-CD2 3.95Å; K324-Y367 HydrophobicContact CD-CE1 4.3Å; K324-Y367 HydrophobicContact CD-CE2 4.32Å; K324-Y367 HydrophobicContact CD-CG 3.75Å; K324-V504 HydrophobicContact CB-CB 4.49Å; K324-V504 HydrophobicContact CB-CG1 4.27Å
325	D	88.9	Confident	82.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.7	170	-77.2	-41.4	0	0	0	111.3	T250 S252 R269 S273 S274 V275 L327	T250-D325 WeakPolarHBondContact OG1-CA 3.46Å; T250-D325 WeakPolarHBondContact OG1-CB 3.16Å; T250-D325 PolarHBondContact OG1-OD1 3.1Å; S252-D325 WeakPolarHBondContact CA-OD1 3.14Å; S252-D325 WeakPolarHBondContact CB-OD1 3.04Å; S252-D325 PolarHBondContact N-OD1 3.24Å; S252-D325 PolarHBondContact OG-OD1 3.19Å; S252-D325 PolarHBondContact OG-OD2 3.13Å; R269-D325 IonicContact CZ-OD2 3.22Å; R269-D325 VanDerWaalsContact CZ-OD2 3.27Å; R269-D325 IonicContact NE-OD2 3.12Å; R269-D325 PolarHBondContact NE-OD2 2.85Å; R269-D325 IonicContact NH2-OD2 2.73Å; R269-D325 PolarHBondContact NH2-OD2 2.93Å; S273-D325 PolarHBondContact O-N 2.78Å; S274-D325 CarbonylContact C-O 3.59Å; S274-D325 WeakPolarHBondContact CA-O 3.18Å; V275-D325 PolarHBondContact N-O 2.83Å; D325-L327 HydrophobicContact CB-CD1 4.15Å
326	L	92.8	Very high	83.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.3	176.4	-176.3	62.6	0	0	0	109.9	A249 T250 V275 V277 L311 F328 L500 V504	A249-L326 HydrophobicContact CB-CB 4.18Å; A249-L326 HydrophobicContact CB-CD2 4.5Å; A249-L326 HydrophobicContact CB-CG 4.43Å; A249-L326 WeakPolarHBondContact CB-O 3.45Å; A249-L326 PolarHBondContact N-O 2.71Å; T250-L326 PolarHBondContact OG1-N 3.12Å; T250-L326 VanDerWaalsContact OG1-N 3.08Å; V275-L326 HydrophobicContact CB-CD1 4.23Å; V275-L326 HydrophobicContact CG1-CD1 4.22Å; V277-L326 HydrophobicContact CG2-CD1 3.74Å; L311-L326 HydrophobicContact CD1-CD2 3.9Å; L326-F328 HydrophobicContact CD2-CE1 4.13Å; L326-F328 HydrophobicContact CD2-CE2 4.09Å; L326-F328 HydrophobicContact CD2-CZ 3.49Å; L326-F328 VanDerWaalsContact CD2-CZ 3.49Å; L326-F328 HydrophobicContact CG-CE1 4.31Å; L326-F328 HydrophobicContact CG-CE2 4.24Å; L326-F328 HydrophobicContact CG-CZ 3.91Å; L326-L500 HydrophobicContact CD1-CD2 4.46Å; L326-V504 HydrophobicContact CB-CG1 4.34Å; L326-V504 HydrophobicContact CD1-CG1 4.33Å; L326-V504 HydrophobicContact CD2-CG2 4.47Å
327	L	95.2	Very high	85.2	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.3	178.9	-60.6	95.7	0	0	0	110.3	I246 L247 V275 F276 V277 D325 I353 V361	I246-L327 HydrophobicContact CG2-CB 4.35Å; I246-L327 HydrophobicContact CG2-CD2 3.95Å; L247-L327 CarbonylContact O-C 3.58Å; L247-L327 WeakPolarHBondContact O-CA 3.38Å; V275-L327 PolarHBondContact O-N 2.79Å; F276-L327 CarbonylContact C-O 3.36Å; F276-L327 WeakPolarHBondContact CA-O 3.24Å; F276-L327 HydrophobicContact CD1-CB 3.65Å; F276-L327 HydrophobicContact CE1-CB 3.6Å; F276-L327 HydrophobicContact CE1-CD1 4.3Å; F276-L327 HydrophobicContact CE1-CD2 3.76Å; F276-L327 HydrophobicContact CE1-CG 4.09Å; F276-L327 HydrophobicContact CE2-CD1 4.16Å; F276-L327 HydrophobicContact CG-CB 4.31Å; F276-L327 HydrophobicContact CZ-CB 4.21Å; F276-L327 HydrophobicContact CZ-CD1 4.03Å; F276-L327 HydrophobicContact CZ-CD2 3.82Å; F276-L327 HydrophobicContact CZ-CG 4.25Å; V277-L327 PolarHBondContact N-O 3.2Å; D325-L327 HydrophobicContact CB-CD1 4.15Å; L327-I353 HydrophobicContact CD2-CG2 4.17Å; L327-V361 HydrophobicContact CD2-CG2 4.29Å
328	F	97.8	Very high	86.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.9	174.4	-58.9	-72.9	0	0	0	109.2	I246 L247 A249 V277 L304 V307 A308 L311 L326 F330 L500	I246-F328 CarbonylContact C-O 3.52Å; I246-F328 WeakPolarHBondContact CA-O 3.31Å; L247-F328 HydrophobicContact CB-CB 4.38Å; L247-F328 PolarHBondContact N-O 2.8Å; L247-F328 PolarHBondContact O-N 3.39Å; A249-F328 HydrophobicContact CB-CD2 4.24Å; A249-F328 HydrophobicContact CB-CE2 3.68Å; V277-F328 HydrophobicContact CB-CD1 4.02Å; V277-F328 HydrophobicContact CB-CE1 4.35Å; V277-F328 HydrophobicContact CG2-CD1 4.5Å; V277-F328 HydrophobicContact CG2-CE1 4.41Å; V277-F328 CarbonylContact O-C 3.49Å; V277-F328 WeakPolarHBondContact O-CA 3.19Å; L304-F328 HydrophobicContact CD1-CD1 3.62Å; L304-F328 HydrophobicContact CD1-CE1 4.23Å; L304-F328 HydrophobicContact CG-CD1 4.3Å; V307-F328 HydrophobicContact CG1-CE1 4.23Å; A308-F328 VanDerWaalsContact CA-CE2 3.49Å; A308-F328 HydrophobicContact CB-CB 4.37Å; A308-F328 HydrophobicContact CB-CD1 4.13Å; A308-F328 HydrophobicContact CB-CD2 3.43Å; A308-F328 VanDerWaalsContact CB-CD2 3.43Å; A308-F328 HydrophobicContact CB-CE1 4.27Å; A308-F328 HydrophobicContact CB-CE2 3.57Å; A308-F328 HydrophobicContact CB-CG 3.71Å; A308-F328 HydrophobicContact CB-CZ 4.01Å; L311-F328 HydrophobicContact CD1-CE1 4.5Å; L311-F328 HydrophobicContact CD1-CZ 3.83Å; L326-F328 HydrophobicContact CD2-CE1 4.13Å; L326-F328 HydrophobicContact CD2-CE2 4.09Å; L326-F328 HydrophobicContact CD2-CZ 3.49Å; L326-F328 VanDerWaalsContact CD2-CZ 3.49Å; L326-F328 HydrophobicContact CG-CE1 4.31Å; L326-F328 HydrophobicContact CG-CE2 4.24Å; L326-F328 HydrophobicContact CG-CZ 3.91Å; F328-F330 HydrophobicContact CB-CE2 4.22Å; F328-L500 HydrophobicContact CE1-CD1 4.09Å
329	S	98	Very high	88	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.2	-177.2	-59	0	0	0	0	111.5	I245 F276 V277 L278 T279	I245-S329 CarbonylContact O-C 3.57Å; I245-S329 VanDerWaalsContact O-CA 3.28Å; I245-S329 WeakPolarHBondContact O-CA 3.3Å; F276-S329 WeakPolarHBondContact CD1-OG 3.43Å; V277-S329 PolarHBondContact O-N 2.91Å; L278-S329 CarbonylContact C-O 3.58Å; L278-S329 WeakPolarHBondContact CA-O 3.4Å; T279-S329 PolarHBondContact N-O 3.39Å
330	F	98.2	Very high	89.6	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.6	175.8	-58.2	-103.1	0	0	0	107.2	N244 I245 T279 M281 I301 L304 I305 F328 V574 L578	N244-F330 WeakPolarHBondContact CA-O 3.38Å; I245-F330 HydrophobicContact CB-CB 4.22Å; I245-F330 HydrophobicContact CB-CD2 4.39Å; I245-F330 PolarHBondContact N-O 2.79Å; I245-F330 PolarHBondContact O-N 3.05Å; T279-F330 HydrophobicContact CG2-CD1 3.48Å; T279-F330 VanDerWaalsContact CG2-CD1 3.48Å; T279-F330 HydrophobicContact CG2-CE1 3.94Å; T279-F330 HydrophobicContact CG2-CG 4.24Å; T279-F330 WeakPolarHBondContact O-CA 3.49Å; M281-F330 HydrophobicContact CE-CB 3.57Å; M281-F330 WeakPolarHBondContact CE-O 3.45Å; M281-F330 HydrophobicContact CG-CB 3.74Å; M281-F330 HydrophobicContact CG-CD1 4.25Å; M281-F330 HydrophobicContact SD-CB 3.43Å; M281-F330 WeakPolarHBondContact SD-CB 3.46Å; M281-F330 HydrophobicContact SD-CD1 4.24Å; M281-F330 HydrophobicContact SD-CG 4.21Å; I301-F330 HydrophobicContact CG2-CD1 4.32Å; I301-F330 HydrophobicContact CG2-CE1 4.16Å; L304-F330 HydrophobicContact CB-CE1 3.82Å; L304-F330 HydrophobicContact CB-CZ 3.93Å; L304-F330 HydrophobicContact CD2-CD1 4.08Å; L304-F330 HydrophobicContact CD2-CD2 4.43Å; L304-F330 HydrophobicContact CD2-CE1 3.7Å; L304-F330 HydrophobicContact CD2-CE2 4.06Å; L304-F330 HydrophobicContact CD2-CG 4.43Å; L304-F330 HydrophobicContact CD2-CZ 3.68Å; L304-F330 HydrophobicContact CG-CE1 3.92Å; L304-F330 HydrophobicContact CG-CE2 4.31Å; L304-F330 HydrophobicContact CG-CZ 3.65Å; I305-F330 HydrophobicContact CG1-CE1 3.8Å; I305-F330 HydrophobicContact CG1-CZ 3.79Å; F328-F330 HydrophobicContact CB-CE2 4.22Å; F330-V574 HydrophobicContact CD1-CG1 3.9Å; F330-V574 HydrophobicContact CD2-CG1 4.49Å; F330-V574 HydrophobicContact CE1-CG1 4.11Å; F330-V574 HydrophobicContact CG-CG1 4.11Å; F330-L578 HydrophobicContact CD2-CD1 3.85Å; F330-L578 HydrophobicContact CE2-CD1 3.5Å; F330-L578 VanDerWaalsContact CE2-CD1 3.5Å; F330-L578 HydrophobicContact CE2-CD2 4.22Å; F330-L578 HydrophobicContact CE2-CG 4.47Å; F330-L578 HydrophobicContact CZ-CD1 4.05Å; F330-L578 HydrophobicContact CZ-CD2 4.23Å
331	L	97.5	Very high	91.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.6	-173.3	-55.5	-176.6	0	0	0	110	N244 L278 T279 R280 M281 E334 F344	N244-L331 WeakPolarHBondContact OD1-CA 3.39Å; L278-L331 HydrophobicContact CD1-CD1 4.09Å; L278-L331 HydrophobicContact CD2-CD1 4.27Å; T279-L331 PolarHBondContact O-N 2.84Å; R280-L331 CarbonylContact C-O 3.46Å; R280-L331 WeakPolarHBondContact CA-O 3.14Å; M281-L331 PolarHBondContact N-O 3.25Å; L331-E334 HydrophobicContact CB-CG 3.86Å; L331-F344 HydrophobicContact CD2-CB 4.03Å; L331-F344 HydrophobicContact CD2-CD2 4.2Å; L331-F344 HydrophobicContact CD2-CG 4.18Å
332	D	95.8	Very high	93.3	Very high	2 Å²	2	7 Å²	7	1%	0.011	3%	0.034	C	C	.	.			trans	-99.3	163.2	176.4	-157.1	-12.6	0	0	0	109.9	G242 L243 N244 M281 D282 E334 G340 S571 F624	G242-D332 WeakPolarHBondContact CA-OD2 3.45Å; L243-D332 PolarHBondContact N-OD2 2.7Å; L243-D332 VanDerWaalsContact O-CB 3.29Å; L243-D332 WeakPolarHBondContact O-CB 3.36Å; N244-D332 PolarHBondContact OD1-N 3.38Å; M281-D332 HydrophobicContact CE-CB 3.99Å; D282-D332 WeakPolarHBondContact CB-OD1 3.46Å; D332-E334 VanDerWaalsContact C-N 3.27Å; D332-E334 PolarHBondContact O-N 2.97Å; D332-G340 WeakPolarHBondContact O-CA 3.38Å; D332-G340 PolarHBondContact O-N 3.4Å; D332-S571 WeakPolarHBondContact OD2-CB 3.08Å; D332-S571 PolarHBondContact OD2-OG 3.28Å; D332-F624 HydrophobicContact CB-CE1 4.44Å; D332-F624 HydrophobicContact CB-CZ 4.04Å
333	N	94.7	Very high	94.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	56.1	27.8	-178.5	-60.3	-48.4	0	0	0	115.9	L240 D282 Y336 M339 F624	L240-N333 PolarHBondContact O-ND2 2.93Å; D282-N333 VanDerWaalsContact CG-CA 3.49Å; D282-N333 VanDerWaalsContact OD2-C 3.23Å; D282-N333 WeakPolarHBondContact OD2-CA 3.31Å; D282-N333 PolarHBondContact OD2-N 3.34Å; N333-Y336 PolarHBondContact O-N 3.41Å; N333-M339 HydrophobicContact CB-CB 3.88Å; N333-M339 PolarHBondContact O-N 3.4Å; N333-F624 HydrophobicContact CB-CD1 4.43Å; N333-F624 HydrophobicContact CB-CE1 4.41Å; N333-F624 VanDerWaalsContact ND2-CD2 3.35Å; N333-F624 WeakPolarHBondContact ND2-CD2 3.39Å; N333-F624 VanDerWaalsContact ND2-CE2 3.28Å; N333-F624 WeakPolarHBondContact ND2-CE2 3.36Å
334	E	95.7	Very high	95	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.6	173	-69.6	-59.2	86.1	0	0	113.2	N136 R280 D282 L331 D332 Y336 F338 G340 S341 S439	N136-E334 PolarHBondContact ND2-O 2.78Å; R280-E334 HydrophobicContact CB-CB 3.96Å; R280-E334 HydrophobicContact CB-CG 3.9Å; D282-E334 WeakPolarHBondContact OD1-CA 3.48Å; D282-E334 WeakPolarHBondContact OD1-CB 3.41Å; D282-E334 PolarHBondContact OD1-N 3.29Å; D282-E334 PolarHBondContact OD2-N 2.83Å; L331-E334 HydrophobicContact CB-CG 3.86Å; D332-E334 VanDerWaalsContact C-N 3.27Å; D332-E334 PolarHBondContact O-N 2.97Å; E334-Y336 PolarHBondContact O-N 3.18Å; E334-F338 PolarHBondContact O-N 2.91Å; E334-F338 VanDerWaalsContact O-N 3.16Å; E334-F338 WeakPolarHBondContact OE1-CA 3.25Å; E334-G340 WeakPolarHBondContact OE1-CA 3.05Å; E334-G340 PolarHBondContact OE1-N 3.44Å; E334-S341 PolarHBondContact OE1-N 2.76Å; E334-S341 PolarHBondContact OE1-OG 2.87Å; E334-S341 WeakPolarHBondContact OE2-CB 3.29Å; E334-S341 PolarHBondContact OE2-OG 2.83Å; E334-S439 WeakPolarHBondContact OE2-CA 3.19Å; E334-S439 WeakPolarHBondContact OE2-CB 3.33Å; E334-S439 PolarHBondContact OE2-OG 3.36Å
335	A	94.8	Very high	95.4	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.2	174.4	0	0	0	0	0	113	N136 R280 D282 R284 E470	N136-A335 PolarHBondContact OD1-O 3.47Å; R280-A335 VanDerWaalsContact NH2-CB 3.33Å; D282-A335 PolarHBondContact OD1-N 2.69Å; D282-A335 WeakPolarHBondContact OD2-CA 3.37Å; D282-A335 WeakPolarHBondContact OD2-CB 3.38Å; D282-A335 PolarHBondContact OD2-N 3.2Å; R284-A335 HydrophobicContact CB-CB 4.17Å; R284-A335 PolarHBondContact NH1-O 3.02Å; A335-E470 WeakPolarHBondContact CB-OE1 3.48Å
336	Y	93.9	Very high	95.7	Very high	0 Å²	0	8 Å²	8	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	60.2	-178.1	-64.3	-84.6	0	0	0	110.1	K45 L240 R284 N333 E334 F338 M339 Q558 T559 W637	K45-Y336 HydrophobicContact CD-CE1 3.87Å; K45-Y336 PolarHBondContact NZ-OH 3.03Å; L240-Y336 HydrophobicContact CD1-CD1 3.42Å; L240-Y336 VanDerWaalsContact CD1-CD1 3.42Å; L240-Y336 HydrophobicContact CD1-CD2 3.72Å; L240-Y336 HydrophobicContact CD1-CE1 3.85Å; L240-Y336 HydrophobicContact CD1-CE2 4.11Å; L240-Y336 HydrophobicContact CD1-CG 3.35Å; R284-Y336 HydrophobicContact CG-CE1 4.42Å; R284-Y336 VanDerWaalsContact NH2-CD1 3.3Å; N333-Y336 PolarHBondContact O-N 3.41Å; E334-Y336 PolarHBondContact O-N 3.18Å; Y336-F338 PolarHBondContact O-N 2.68Å; Y336-M339 WeakPolarHBondContact O-CG 3.48Å; Y336-Q558 PolarHBondContact OH-NE2 3.37Å; Y336-T559 HydrophobicContact CE2-CG2 3.85Å; Y336-W637 AromaticContact CD1-CD2 3.94Å; Y336-W637 HydrophobicContact CD1-CD2 3.94Å; Y336-W637 HydrophobicContact CD1-CE3 4.07Å; Y336-W637 HydrophobicContact CD1-CG 4.14Å; Y336-W637 HydrophobicContact CG-CG 4.46Å; Y336-W637 PolarHBondContact O-NE1 3.09Å
337	D	93.8	Very high	95.9	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.016	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	41	178.4	-63.4	-35.8	0	0	0	113.4	N136 Y139 M339 P635 W637	N136-D337 PolarHBondContact OD1-N 3.02Å; Y139-D337 HydrophobicContact CD2-CB 3.31Å; Y139-D337 HydrophobicContact CE2-CB 3.61Å; Y139-D337 VanDerWaalsContact CE2-CG 3.42Å; Y139-D337 VanDerWaalsContact CE2-OD2 3.29Å; Y139-D337 WeakPolarHBondContact CE2-OD2 3.42Å; Y139-D337 HydrophobicContact CG-CB 4.07Å; D337-M339 PolarHBondContact O-N 2.67Å; D337-P635 HydrophobicContact CB-CB 3.81Å; D337-P635 WeakPolarHBondContact O-CB 3.35Å; D337-P635 WeakPolarHBondContact O-CG 3.33Å; D337-W637 WeakPolarHBondContact OD2-CZ2 3.45Å; D337-W637 PolarHBondContact OD2-NE1 3.08Å
338	F	95.6	Very high	95.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	62.6	37.5	174	-53.9	-64.2	0	0	0	115.4	N136 E334 Y336 G340 S341 S342 P436 S438 Q441 T442	N136-F338 HydrophobicContact CB-CD2 4Å; N136-F338 HydrophobicContact CB-CE1 4.33Å; N136-F338 HydrophobicContact CB-CE2 3.43Å; N136-F338 VanDerWaalsContact CB-CE2 3.43Å; N136-F338 HydrophobicContact CB-CZ 3.64Å; N136-F338 WeakPolarHBondContact ND2-CE1 3.36Å; E334-F338 PolarHBondContact O-N 2.91Å; E334-F338 VanDerWaalsContact O-N 3.16Å; E334-F338 WeakPolarHBondContact OE1-CA 3.25Å; Y336-F338 PolarHBondContact O-N 2.68Å; F338-G340 VanDerWaalsContact C-N 3.28Å; F338-G340 PolarHBondContact O-N 2.92Å; F338-S341 WeakPolarHBondContact CB-OG 3.38Å; F338-S341 PolarHBondContact O-OG 3.48Å; F338-S342 WeakPolarHBondContact O-CB 3.37Å; F338-S342 PolarHBondContact O-N 3.4Å; F338-S342 PolarHBondContact O-OG 3.12Å; F338-P436 WeakPolarHBondContact CZ-O 3.25Å; F338-S438 WeakPolarHBondContact CE1-O 3.36Å; F338-Q441 HydrophobicContact CZ-CB 4.5Å; F338-T442 HydrophobicContact CB-CG2 4.4Å; F338-T442 WeakPolarHBondContact CB-OG1 3.09Å; F338-T442 WeakPolarHBondContact CD2-OG1 3.4Å; F338-T442 WeakPolarHBondContact CG-OG1 3.37Å
339	M	95	Very high	95.8	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-62	-36.5	178.7	-81.2	177.4	68.3	0	0	112.4	L240 N333 Y336 D337 R343 F624 L625 P635 W637	L240-M339 HydrophobicContact CD1-SD 4.5Å; N333-M339 HydrophobicContact CB-CB 3.88Å; N333-M339 PolarHBondContact O-N 3.4Å; Y336-M339 WeakPolarHBondContact O-CG 3.48Å; D337-M339 PolarHBondContact O-N 2.67Å; M339-R343 WeakPolarHBondContact O-CB 3.44Å; M339-R343 PolarHBondContact O-N 2.88Å; M339-F624 HydrophobicContact CB-CB 4.28Å; M339-F624 HydrophobicContact CB-CD1 4.35Å; M339-F624 HydrophobicContact CE-CB 3.47Å; M339-F624 VanDerWaalsContact CE-CB 3.47Å; M339-F624 HydrophobicContact CE-CG 4.44Å; M339-L625 HydrophobicContact CE-CD2 4.43Å; M339-P635 HydrophobicContact CB-CG 4.49Å; M339-P635 HydrophobicContact CG-CB 3.95Å; M339-P635 HydrophobicContact CG-CG 3.7Å; M339-W637 HydrophobicContact SD-CB 3.51Å; M339-W637 VanDerWaalsContact SD-CB 3.51Å; M339-W637 HydrophobicContact SD-CG 4.05Å; M339-W637 PolarHBondContact SD-N 3.36Å; M339-W637 VanDerWaalsContact SD-N 3.45Å
340	G	95.6	Very high	95.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.9	-53	179.4	0	0	0	0	0	113.2	N244 D332 E334 F338 S342 R343 F344	N244-G340 PolarHBondContact ND2-O 2.79Å; D332-G340 WeakPolarHBondContact O-CA 3.38Å; D332-G340 PolarHBondContact O-N 3.4Å; E334-G340 WeakPolarHBondContact OE1-CA 3.05Å; E334-G340 PolarHBondContact OE1-N 3.44Å; F338-G340 VanDerWaalsContact C-N 3.28Å; F338-G340 PolarHBondContact O-N 2.92Å; G340-S342 VanDerWaalsContact C-N 3.35Å; G340-R343 PolarHBondContact O-N 3.22Å; G340-F344 WeakPolarHBondContact O-CB 3.21Å; G340-F344 PolarHBondContact O-N 3.09Å
341	S	96.7	Very high	95.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-70	-32.6	179.1	50.6	0	0	0	0	112.1	E334 F338 R343 F344 S345 T442	E334-S341 PolarHBondContact OE1-N 2.76Å; E334-S341 PolarHBondContact OE1-OG 2.87Å; E334-S341 WeakPolarHBondContact OE2-CB 3.29Å; E334-S341 PolarHBondContact OE2-OG 2.83Å; F338-S341 WeakPolarHBondContact CB-OG 3.38Å; F338-S341 PolarHBondContact O-OG 3.48Å; S341-R343 VanDerWaalsContact C-N 3.33Å; S341-F344 PolarHBondContact O-N 2.92Å; S341-S345 WeakPolarHBondContact O-CB 3.23Å; S341-S345 PolarHBondContact O-N 2.86Å; S341-T442 WeakPolarHBondContact OG-CB 3.24Å; S341-T442 PolarHBondContact OG-OG1 2.84Å
342	S	95.8	Very high	95	Very high	14 Å²	14	17.1 Å²	17.1	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-45	170.1	-63.8	0	0	0	0	110.9	F338 G340 S345 Y346 T442	F338-S342 WeakPolarHBondContact O-CB 3.37Å; F338-S342 PolarHBondContact O-N 3.4Å; F338-S342 PolarHBondContact O-OG 3.12Å; G340-S342 VanDerWaalsContact C-N 3.35Å; S342-S345 WeakPolarHBondContact O-CB 3.33Å; S342-S345 PolarHBondContact O-N 2.84Å; S342-Y346 PolarHBondContact O-N 3.44Å; S342-Y346 VanDerWaalsContact O-N 3.12Å; S342-T442 WeakPolarHBondContact OG-CG2 3.31Å
343	R	95.6	Very high	94.9	Very high	29 Å²	29	17.1 Å²	17.1	11%	0.109	10%	0.096	C	C	.	.	H	α-helix	trans	-66.8	-43.4	176	176.4	57.8	-161.6	-149.5	-0.9	112.2	M339 G340 S341 S345 Y346 D347 T621 Q623 F624	M339-R343 WeakPolarHBondContact O-CB 3.44Å; M339-R343 PolarHBondContact O-N 2.88Å; G340-R343 PolarHBondContact O-N 3.22Å; S341-R343 VanDerWaalsContact C-N 3.33Å; R343-S345 VanDerWaalsContact C-N 3.29Å; R343-S345 PolarHBondContact O-N 3.29Å; R343-Y346 WeakPolarHBondContact O-CA 3.34Å; R343-Y346 WeakPolarHBondContact O-CB 3.26Å; R343-Y346 PolarHBondContact O-N 3.27Å; R343-D347 IonicContact CZ-OD1 3.61Å; R343-D347 VanDerWaalsContact CZ-OD1 3.22Å; R343-D347 IonicContact CZ-OD2 2.82Å; R343-D347 VanDerWaalsContact NE-CG 3.29Å; R343-D347 IonicContact NE-OD1 2.78Å; R343-D347 PolarHBondContact NE-OD1 3.29Å; R343-D347 VanDerWaalsContact NE-OD1 3.12Å; R343-D347 IonicContact NE-OD2 2.72Å; R343-D347 PolarHBondContact NE-OD2 3.44Å; R343-D347 IonicContact NH2-OD1 3.26Å; R343-D347 PolarHBondContact NH2-OD1 2.85Å; R343-D347 IonicContact NH2-OD2 3.8Å; R343-D347 PolarHBondContact O-N 3.22Å; R343-T621 HydrophobicContact CG-CG2 3.74Å; R343-Q623 WeakPolarHBondContact CD-O 3.36Å; R343-Q623 WeakPolarHBondContact CG-O 3.22Å; R343-Q623 PolarHBondContact NE-O 3.15Å; R343-F624 HydrophobicContact CB-CD1 4.15Å
344	F	96.7	Very high	94.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.5	-42.4	176.5	178	-98.2	0	0	0	111.9	I246 F276 L331 G340 S341 Y346 D347 L348 I353 L443	I246-F344 HydrophobicContact CD1-CD2 3.86Å; I246-F344 HydrophobicContact CD1-CE2 3.81Å; I246-F344 HydrophobicContact CG1-CD2 4.36Å; I246-F344 HydrophobicContact CG1-CE2 4.18Å; F276-F344 HydrophobicContact CD1-CE2 4.06Å; F276-F344 AromaticContact CD1-CZ 3.58Å; F276-F344 HydrophobicContact CD1-CZ 3.58Å; F276-F344 AromaticContact CE1-CE2 3.8Å; F276-F344 HydrophobicContact CE1-CE2 3.8Å; F276-F344 AromaticContact CE1-CZ 3.56Å; F276-F344 HydrophobicContact CE1-CZ 3.56Å; F276-F344 HydrophobicContact CG-CZ 4.12Å; F276-F344 HydrophobicContact CZ-CZ 4.09Å; L331-F344 HydrophobicContact CD2-CB 4.03Å; L331-F344 HydrophobicContact CD2-CD2 4.2Å; L331-F344 HydrophobicContact CD2-CG 4.18Å; G340-F344 WeakPolarHBondContact O-CB 3.21Å; G340-F344 PolarHBondContact O-N 3.09Å; S341-F344 PolarHBondContact O-N 2.92Å; F344-Y346 VanDerWaalsContact C-N 3.32Å; F344-Y346 PolarHBondContact O-N 2.87Å; F344-D347 PolarHBondContact O-N 3.08Å; F344-L348 HydrophobicContact CD1-CD1 3.92Å; F344-L348 HydrophobicContact CE1-CD1 3.37Å; F344-L348 HydrophobicContact CE1-CG 4.15Å; F344-L348 HydrophobicContact CZ-CD1 3.86Å; F344-L348 HydrophobicContact CZ-CG 4.26Å; F344-L348 PolarHBondContact O-N 2.62Å; F344-I353 HydrophobicContact CD2-CD1 4.04Å; F344-I353 HydrophobicContact CE2-CD1 3.65Å; F344-I353 HydrophobicContact CZ-CD1 4.24Å; F344-L443 HydrophobicContact CD1-CD1 4.24Å; F344-L443 HydrophobicContact CD1-CD2 3.63Å; F344-L443 HydrophobicContact CE1-CD1 4.3Å; F344-L443 HydrophobicContact CE1-CD2 4.25Å
345	S	96	Very high	94.1	Very high	6 Å²	6	25.4 Å²	25.4	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-42.7	173.2	176.1	0	0	0	0	112.3	S341 S342 R343 D347 L348 S349 W363 N446	S341-S345 WeakPolarHBondContact O-CB 3.23Å; S341-S345 PolarHBondContact O-N 2.86Å; S342-S345 WeakPolarHBondContact O-CB 3.33Å; S342-S345 PolarHBondContact O-N 2.84Å; R343-S345 VanDerWaalsContact C-N 3.29Å; R343-S345 PolarHBondContact O-N 3.29Å; S345-D347 VanDerWaalsContact C-N 3.33Å; S345-L348 PolarHBondContact O-N 3.06Å; S345-S349 PolarHBondContact O-N 2.93Å; S345-S349 PolarHBondContact O-OG 3.04Å; S345-W363 PolarHBondContact O-NE1 3.12Å; S345-W363 WeakPolarHBondContact OG-CZ2 3.25Å; S345-N446 WeakPolarHBondContact OG-CB 3.04Å
346	Y	95.4	Very high	93.3	Very high	110 Å²	110	27.8 Å²	27.8	43%	0.431	14%	0.137	S	C	.	.	H	α-helix	trans	-62.9	-40.8	175.8	174.3	-90.3	0	0	0	111.8	S342 R343 F344 S349 S350 M626	S342-Y346 PolarHBondContact O-N 3.44Å; S342-Y346 VanDerWaalsContact O-N 3.12Å; R343-Y346 WeakPolarHBondContact O-CA 3.34Å; R343-Y346 WeakPolarHBondContact O-CB 3.26Å; R343-Y346 PolarHBondContact O-N 3.27Å; F344-Y346 VanDerWaalsContact C-N 3.32Å; F344-Y346 PolarHBondContact O-N 2.87Å; Y346-S349 PolarHBondContact O-N 3.48Å; Y346-S350 WeakPolarHBondContact CE1-OG 3.48Å; Y346-S350 WeakPolarHBondContact O-CB 3.39Å; Y346-S350 PolarHBondContact O-N 3.02Å; Y346-S350 PolarHBondContact O-OG 3.27Å; Y346-M626 HydrophobicContact CD2-SD 4.3Å; Y346-M626 HydrophobicContact CG-SD 4.19Å
347	D	95.6	Very high	92.7	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-67.8	-35.6	179.4	-71.8	-39.4	0	0	0	112.8	R343 F344 S345 S350 G351 N352 I353 T621	R343-D347 IonicContact CZ-OD1 3.61Å; R343-D347 VanDerWaalsContact CZ-OD1 3.22Å; R343-D347 IonicContact CZ-OD2 2.82Å; R343-D347 VanDerWaalsContact NE-CG 3.29Å; R343-D347 IonicContact NE-OD1 2.78Å; R343-D347 PolarHBondContact NE-OD1 3.29Å; R343-D347 VanDerWaalsContact NE-OD1 3.12Å; R343-D347 IonicContact NE-OD2 2.72Å; R343-D347 PolarHBondContact NE-OD2 3.44Å; R343-D347 IonicContact NH2-OD1 3.26Å; R343-D347 PolarHBondContact NH2-OD1 2.85Å; R343-D347 IonicContact NH2-OD2 3.8Å; R343-D347 PolarHBondContact O-N 3.22Å; F344-D347 PolarHBondContact O-N 3.08Å; S345-D347 VanDerWaalsContact C-N 3.33Å; D347-S350 PolarHBondContact O-N 3Å; D347-G351 PolarHBondContact O-N 3.47Å; D347-N352 HydrophobicContact CB-CB 3.99Å; D347-N352 PolarHBondContact O-N 3.4Å; D347-N352 WeakPolarHBondContact OD1-CB 3.4Å; D347-N352 PolarHBondContact OD1-ND2 3.35Å; D347-I353 HydrophobicContact CB-CD1 4.25Å; D347-I353 HydrophobicContact CB-CG1 3.99Å; D347-T621 PolarHBondContact OD2-OG1 2.85Å
348	L	95.7	Very high	92.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-38.4	169.5	-78.6	172.5	0	0	0	112.6	F276 F344 S345 S350 I353 V361 I362 W363 V366	F276-L348 HydrophobicContact CE2-CD2 4.35Å; F276-L348 HydrophobicContact CZ-CD2 4.2Å; F344-L348 HydrophobicContact CD1-CD1 3.92Å; F344-L348 HydrophobicContact CE1-CD1 3.37Å; F344-L348 HydrophobicContact CE1-CG 4.15Å; F344-L348 HydrophobicContact CZ-CD1 3.86Å; F344-L348 HydrophobicContact CZ-CG 4.26Å; F344-L348 PolarHBondContact O-N 2.62Å; S345-L348 PolarHBondContact O-N 3.06Å; L348-S350 VanDerWaalsContact C-N 3.35Å; L348-I353 HydrophobicContact CD2-CD1 3.72Å; L348-I353 HydrophobicContact CG-CD1 3.76Å; L348-V361 HydrophobicContact CD2-CG1 4.1Å; L348-I362 WeakPolarHBondContact O-CA 3.45Å; L348-W363 HydrophobicContact CB-CD2 4.05Å; L348-W363 HydrophobicContact CB-CG 4.18Å; L348-W363 HydrophobicContact CB-CZ2 4.23Å; L348-W363 HydrophobicContact CD1-CD2 4.06Å; L348-W363 HydrophobicContact CD1-CE3 3.99Å; L348-W363 HydrophobicContact CD1-CH2 3.77Å; L348-W363 HydrophobicContact CD1-CZ2 3.82Å; L348-W363 HydrophobicContact CD1-CZ3 3.83Å; L348-V366 HydrophobicContact CD1-CG2 4.43Å; L348-V366 HydrophobicContact CD2-CG2 4.06Å
349	S	94.9	Very high	91.6	Very high	77 Å²	77	33.2 Å²	33.2	54%	0.538	18%	0.18	S	C	.	.	H	α-helix	trans	-70.4	-33	176.5	-64.5	0	0	0	0	112.5	S345 Y346 W363	S345-S349 PolarHBondContact O-N 2.93Å; S345-S349 PolarHBondContact O-OG 3.04Å; Y346-S349 PolarHBondContact O-N 3.48Å; S349-W363 PolarHBondContact OG-NE1 3.07Å
350	S	93.6	Very high	91.4	Very high	53 Å²	53	35.3 Å²	35.3	37%	0.371	19%	0.194	S	C	.	.	H	α-helix	trans	-92.9	-8.7	-174.8	-53.1	0	0	0	0	113.9	Y346 D347 L348	Y346-S350 WeakPolarHBondContact CE1-OG 3.48Å; Y346-S350 WeakPolarHBondContact O-CB 3.39Å; Y346-S350 PolarHBondContact O-N 3.02Å; Y346-S350 PolarHBondContact O-OG 3.27Å; D347-S350 PolarHBondContact O-N 3Å; L348-S350 VanDerWaalsContact C-N 3.35Å
351	G	92.7	Very high	91.2	Very high	9 Å²	9	35.3 Å²	35.3	9%	0.093	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	39	-175.7	0	0	0	0	0	113	D347 P360	D347-G351 PolarHBondContact O-N 3.47Å; G351-P360 WeakPolarHBondContact O-CB 3.25Å
352	N	92.5	Very high	91.1	Very high	52 Å²	52	38.6 Å²	38.6	28%	0.278	21%	0.211	S	C	.	.			trans	-88.6	-14.8	179.2	-69.1	-29	0	0	0	113.2	D347	D347-N352 HydrophobicContact CB-CB 3.99Å; D347-N352 PolarHBondContact O-N 3.4Å; D347-N352 WeakPolarHBondContact OD1-CB 3.4Å; D347-N352 PolarHBondContact OD1-ND2 3.35Å
353	I	91.9	Very high	91.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-86	133.5	-179.3	-58	174.4	0	0	0	109.6	I246 L327 F344 D347 L348 R355 P360 V361	I246-I353 HydrophobicContact CD1-CD1 3.66Å; I246-I353 HydrophobicContact CD1-CG1 3.65Å; I246-I353 HydrophobicContact CD1-CG2 4.16Å; I246-I353 HydrophobicContact CG2-CG2 4.02Å; L327-I353 HydrophobicContact CD2-CG2 4.17Å; F344-I353 HydrophobicContact CD2-CD1 4.04Å; F344-I353 HydrophobicContact CE2-CD1 3.65Å; F344-I353 HydrophobicContact CZ-CD1 4.24Å; D347-I353 HydrophobicContact CB-CD1 4.25Å; D347-I353 HydrophobicContact CB-CG1 3.99Å; L348-I353 HydrophobicContact CD2-CD1 3.72Å; L348-I353 HydrophobicContact CG-CD1 3.76Å; I353-R355 PolarHBondContact O-N 2.89Å; I353-R355 VanDerWaalsContact O-N 3.16Å; I353-P360 CarbonylContact O-C 3.59Å; I353-P360 WeakPolarHBondContact O-CA 3.38Å; I353-P360 WeakPolarHBondContact O-CB 3.41Å; I353-V361 HydrophobicContact CB-CB 4.3Å; I353-V361 HydrophobicContact CG2-CB 4.17Å; I353-V361 HydrophobicContact CG2-CG2 4.38Å; I353-V361 PolarHBondContact O-N 3.2Å
354	A	88.2	Confident	91	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	26.2	-177.9	0	0	0	0	0	113.9	Y356 T357 V361 D619	A354-Y356 PolarHBondContact O-N 3.17Å; A354-T357 HydrophobicContact CB-CG2 4.16Å; A354-T357 WeakPolarHBondContact O-CB 3.46Å; A354-T357 WeakPolarHBondContact O-CG2 3.22Å; A354-T357 PolarHBondContact O-N 3.28Å; A354-T357 PolarHBondContact O-OG1 3.42Å; A354-V361 HydrophobicContact CB-CG2 4.13Å; A354-D619 VanDerWaalsContact CA-OD2 3.24Å; A354-D619 WeakPolarHBondContact CA-OD2 3.39Å; A354-D619 PolarHBondContact N-OD2 3.05Å
355	R	85.9	Confident	90.9	Very high	173 Å²	173	39.1 Å²	39.1	65%	0.653	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-60.5	-31.2	-176.4	-178.9	176.4	163.5	175.3	-3.7	112.7	I353 T357 G358 P360	I353-R355 PolarHBondContact O-N 2.89Å; I353-R355 VanDerWaalsContact O-N 3.16Å; R355-T357 PolarHBondContact O-N 2.94Å; R355-T357 VanDerWaalsContact O-N 3.15Å; R355-G358 PolarHBondContact O-N 3.34Å; R355-P360 HydrophobicContact CB-CB 4.48Å
356	Y	79.2	Confident	90.8	Very high	50 Å²	50	38.9 Å²	38.9	20%	0.196	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-61.9	-18.3	176.8	65	-95.4	0	0	0	113.3	A354 G358 P599 T601 R617 D619	A354-Y356 PolarHBondContact O-N 3.17Å; Y356-G358 PolarHBondContact O-N 3Å; Y356-P599 VanDerWaalsContact CD2-C 3.49Å; Y356-P599 VanDerWaalsContact CD2-O 3.23Å; Y356-P599 WeakPolarHBondContact CD2-O 3.43Å; Y356-P599 WeakPolarHBondContact CE2-O 3.43Å; Y356-T601 HydrophobicContact CD1-CG2 3.58Å; Y356-T601 HydrophobicContact CD2-CG2 4.42Å; Y356-T601 HydrophobicContact CE1-CG2 3.85Å; Y356-T601 HydrophobicContact CG-CG2 3.9Å; Y356-R617 VanDerWaalsContact OH-CA 3.22Å; Y356-R617 WeakPolarHBondContact OH-CA 3.42Å; Y356-R617 WeakPolarHBondContact OH-CB 3.49Å; Y356-R617 PolarHBondContact OH-O 2.78Å; Y356-D619 VanDerWaalsContact CD1-OD1 3.3Å; Y356-D619 WeakPolarHBondContact CD1-OD1 3.49Å; Y356-D619 VanDerWaalsContact CE1-OD1 3.31Å; Y356-D619 WeakPolarHBondContact CE1-OD1 3.36Å
357	T	80.4	Confident	90.8	Very high	22 Å²	22	34.3 Å²	34.3	14%	0.135	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-78	-6.5	176.4	69.2	0	0	0	0	113.3	A354 R355 N359	A354-T357 HydrophobicContact CB-CG2 4.16Å; A354-T357 WeakPolarHBondContact O-CB 3.46Å; A354-T357 WeakPolarHBondContact O-CG2 3.22Å; A354-T357 PolarHBondContact O-N 3.28Å; A354-T357 PolarHBondContact O-OG1 3.42Å; R355-T357 PolarHBondContact O-N 2.94Å; R355-T357 VanDerWaalsContact O-N 3.15Å; T357-N359 PolarHBondContact O-N 3.44Å; T357-N359 PolarHBondContact OG1-N 3.21Å; T357-N359 PolarHBondContact OG1-O 3.3Å; T357-N359 VanDerWaalsContact OG1-O 3.06Å
358	G	81.7	Confident	90.9	Very high	59 Å²	59	34.2 Å²	34.2	61%	0.608	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	-11.9	-168.9	0	0	0	0	0	113.8	R355 Y356	R355-G358 PolarHBondContact O-N 3.34Å; Y356-G358 PolarHBondContact O-N 3Å
359	N	84.6	Confident	91	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.193	20%	0.196	C	C	.	.	S	Bend	trans	-129.1	83.1	-177.7	-71.6	-57.4	0	0	0	109.8	L255 Y267 R269 T357	L255-N359 HydrophobicContact CD2-CB 4.14Å; L255-N359 VanDerWaalsContact CD2-CG 3.49Å; L255-N359 WeakPolarHBondContact CD2-ND2 3.15Å; Y267-N359 PolarHBondContact O-OD1 2.83Å; R269-N359 PolarHBondContact NH1-O 3.02Å; T357-N359 PolarHBondContact O-N 3.44Å; T357-N359 PolarHBondContact OG1-N 3.21Å; T357-N359 PolarHBondContact OG1-O 3.3Å; T357-N359 VanDerWaalsContact OG1-O 3.06Å
360	P	89.8	Confident	91.2	Very high	46 Å²	46	30.5 Å²	30.5	30%	0.299	17%	0.171	S	C	.	.			trans	-64.3	153.9	-178.1	27.7	-34.2	0	0	0	111.9	G351 I353 R355	G351-P360 WeakPolarHBondContact O-CB 3.25Å; I353-P360 CarbonylContact O-C 3.59Å; I353-P360 WeakPolarHBondContact O-CA 3.38Å; I353-P360 WeakPolarHBondContact O-CB 3.41Å; R355-P360 HydrophobicContact CB-CB 4.48Å
361	V	92.1	Very high	91.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-85	126.8	172.1	-176.3	0	0	0	0	108.9	F276 L327 L348 I353 A354 N365	F276-V361 HydrophobicContact CE2-CG1 3.9Å; F276-V361 HydrophobicContact CZ-CG1 3.88Å; L327-V361 HydrophobicContact CD2-CG2 4.29Å; L348-V361 HydrophobicContact CD2-CG1 4.1Å; I353-V361 HydrophobicContact CB-CB 4.3Å; I353-V361 HydrophobicContact CG2-CB 4.17Å; I353-V361 HydrophobicContact CG2-CG2 4.38Å; I353-V361 PolarHBondContact O-N 3.2Å; A354-V361 HydrophobicContact CB-CG2 4.13Å; V361-N365 HydrophobicContact CG1-CB 4.21Å
362	I	94.5	Very high	91.7	Very high	69 Å²	69	27.7 Å²	27.7	35%	0.354	15%	0.149	S	C	.	.			trans	-123.3	171.9	174.2	59.3	164.2	0	0	0	111.3	L348 S364 N365	L348-I362 WeakPolarHBondContact O-CA 3.45Å; I362-S364 VanDerWaalsContact C-N 3.25Å; I362-S364 VanDerWaalsContact CD1-OG 3.32Å; I362-S364 WeakPolarHBondContact CD1-OG 3.43Å; I362-S364 WeakPolarHBondContact CG1-OG 3.2Å; I362-S364 PolarHBondContact O-N 3.38Å; I362-S364 VanDerWaalsContact O-N 3.11Å; I362-N365 WeakPolarHBondContact CG1-OD1 3.36Å; I362-N365 PolarHBondContact N-OD1 2.73Å; I362-N365 WeakPolarHBondContact O-CB 3.4Å; I362-N365 PolarHBondContact O-N 2.86Å; I362-N365 PolarHBondContact O-OD1 2.01Å
363	W	95.6	Very high	91.7	Very high	13 Å²	13	25.6 Å²	25.6	5%	0.049	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-51.4	-35.2	-177.8	-79.7	112.8	0	0	0	115.4	S345 L348 S349 N365 V366 L443 P448 R449 L451	S345-W363 PolarHBondContact O-NE1 3.12Å; S345-W363 WeakPolarHBondContact OG-CZ2 3.25Å; L348-W363 HydrophobicContact CB-CD2 4.05Å; L348-W363 HydrophobicContact CB-CG 4.18Å; L348-W363 HydrophobicContact CB-CZ2 4.23Å; L348-W363 HydrophobicContact CD1-CD2 4.06Å; L348-W363 HydrophobicContact CD1-CE3 3.99Å; L348-W363 HydrophobicContact CD1-CH2 3.77Å; L348-W363 HydrophobicContact CD1-CZ2 3.82Å; L348-W363 HydrophobicContact CD1-CZ3 3.83Å; S349-W363 PolarHBondContact OG-NE1 3.07Å; W363-N365 VanDerWaalsContact C-N 3.26Å; W363-N365 PolarHBondContact O-N 2.84Å; W363-V366 HydrophobicContact CE3-CG2 4.46Å; W363-V366 PolarHBondContact O-N 3.24Å; W363-L443 HydrophobicContact CH2-CB 4.36Å; W363-L443 HydrophobicContact CH2-CD2 4.18Å; W363-P448 HydrophobicContact CB-CG 3.83Å; W363-P448 HydrophobicContact CG-CG 4.03Å; W363-R449 PolarHBondContact O-NE 3.29Å; W363-R449 PolarHBondContact O-NH2 3.39Å; W363-L451 HydrophobicContact CZ3-CD2 3.88Å
364	S	94.4	Very high	91.8	Very high	36 Å²	36	25.7 Å²	25.7	25%	0.252	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-69.5	-23.2	178.6	56.8	0	0	0	0	113	E271 N272 I362 R449	E271-S364 WeakPolarHBondContact CA-O 3.18Å; N272-S364 PolarHBondContact N-O 3.35Å; I362-S364 VanDerWaalsContact C-N 3.25Å; I362-S364 VanDerWaalsContact CD1-OG 3.32Å; I362-S364 WeakPolarHBondContact CD1-OG 3.43Å; I362-S364 WeakPolarHBondContact CG1-OG 3.2Å; I362-S364 PolarHBondContact O-N 3.38Å; I362-S364 VanDerWaalsContact O-N 3.11Å; S364-R449 PolarHBondContact O-NH2 3.29Å; S364-R449 VanDerWaalsContact O-NH2 3.16Å
365	N	93.6	Very high	92.1	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.027	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-80.7	-19.8	178.2	-51	124.2	0	0	0	112.7	R269 S270 N272 S273 S274 V361 I362 W363 Y367	R269-N365 HydrophobicContact CG-CB 4.16Å; R269-N365 PolarHBondContact O-ND2 3.07Å; S270-N365 PolarHBondContact O-ND2 2.87Å; N272-N365 CarbonylContact C-O 3.58Å; N272-N365 WeakPolarHBondContact CA-O 3.38Å; N272-N365 PolarHBondContact N-O 2.75Å; S273-N365 PolarHBondContact N-O 3.32Å; S274-N365 PolarHBondContact N-O 3.25Å; V361-N365 HydrophobicContact CG1-CB 4.21Å; I362-N365 WeakPolarHBondContact CG1-OD1 3.36Å; I362-N365 PolarHBondContact N-OD1 2.73Å; I362-N365 WeakPolarHBondContact O-CB 3.4Å; I362-N365 PolarHBondContact O-N 2.86Å; I362-N365 PolarHBondContact O-OD1 2.01Å; W363-N365 VanDerWaalsContact C-N 3.26Å; W363-N365 PolarHBondContact O-N 2.84Å; N365-Y367 PolarHBondContact O-N 2.98Å; N365-Y367 VanDerWaalsContact O-N 3.14Å
366	V	95.3	Very high	92.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	107.8	-174	-173.7	0	0	0	0	111.6	N272 S274 F276 L348 W363 I369 R449 L451	N272-V366 PolarHBondContact OD1-O 3.45Å; S274-V366 CarbonylContact O-C 3.53Å; S274-V366 WeakPolarHBondContact O-CA 3.15Å; F276-V366 HydrophobicContact CD2-CG1 4.1Å; F276-V366 HydrophobicContact CD2-CG2 4.32Å; F276-V366 HydrophobicContact CE2-CG2 3.97Å; L348-V366 HydrophobicContact CD1-CG2 4.43Å; L348-V366 HydrophobicContact CD2-CG2 4.06Å; W363-V366 HydrophobicContact CE3-CG2 4.46Å; W363-V366 PolarHBondContact O-N 3.24Å; V366-I369 HydrophobicContact CG1-CD1 4.3Å; V366-I369 HydrophobicContact CG1-CG1 3.9Å; V366-R449 PolarHBondContact O-NH2 2.74Å; V366-L451 HydrophobicContact CB-CD1 4.31Å; V366-L451 HydrophobicContact CG1-CD1 3.71Å
367	Y	95.2	Very high	93.3	Very high	15 Å²	15	16.3 Å²	16.3	6%	0.059	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-53.2	172.1	178	-97.3	0	0	0	111.5	N272 S274 V275 K324 N365 F402 N405 I406 P452	N272-Y367 HydrophobicContact CB-CD2 4.14Å; N272-Y367 WeakPolarHBondContact O-CB 3.09Å; S274-Y367 WeakPolarHBondContact O-CB 3.27Å; S274-Y367 PolarHBondContact O-N 2.63Å; V275-Y367 HydrophobicContact CG2-CD1 3.9Å; V275-Y367 HydrophobicContact CG2-CG 4.42Å; K324-Y367 HydrophobicContact CD-CD1 3.92Å; K324-Y367 HydrophobicContact CD-CD2 3.95Å; K324-Y367 HydrophobicContact CD-CE1 4.3Å; K324-Y367 HydrophobicContact CD-CE2 4.32Å; K324-Y367 HydrophobicContact CD-CG 3.75Å; N365-Y367 PolarHBondContact O-N 2.98Å; N365-Y367 VanDerWaalsContact O-N 3.14Å; Y367-F402 HydrophobicContact CD2-CD1 4.36Å; Y367-F402 AromaticContact CE2-CD1 3.57Å; Y367-F402 HydrophobicContact CE2-CD1 3.57Å; Y367-F402 HydrophobicContact CE2-CE1 4.12Å; Y367-F402 AromaticContact CZ-CD1 3.96Å; Y367-N405 PolarHBondContact OH-ND2 3.48Å; Y367-I406 HydrophobicContact CE1-CD1 4.37Å; Y367-I406 HydrophobicContact CE1-CG1 4.32Å; Y367-P452 WeakPolarHBondContact O-CD 3.48Å; Y367-P452 VanDerWaalsContact O-CG 3.27Å; Y367-P452 WeakPolarHBondContact O-CG 3.32Å
368	A	96.7	Very high	93.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	163.1	-177.4	0	0	0	0	0	112.3	V275 F276 I406 P452	V275-A368 WeakPolarHBondContact CA-O 3.37Å; F276-A368 PolarHBondContact N-O 3.12Å; A368-I406 HydrophobicContact CB-CD1 3.34Å; A368-P452 CarbonylContact C-O 3.53Å; A368-P452 WeakPolarHBondContact CA-O 3.48Å; A368-P452 HydrophobicContact CB-CB 4.04Å; A368-P452 WeakPolarHBondContact CB-O 3.12Å
369	I	98	Very high	94.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.1	174.7	-55.6	-162.8	0	0	0	110.5	F276 L278 V366 M440 L443 L451 P452 H453 V454	F276-I369 HydrophobicContact CB-CG1 4.19Å; F276-I369 HydrophobicContact CB-CG2 4.42Å; F276-I369 CarbonylContact O-C 3.54Å; F276-I369 WeakPolarHBondContact O-CA 3.13Å; L278-I369 HydrophobicContact CD2-CG2 3.36Å; L278-I369 HydrophobicContact CG-CG2 3.94Å; V366-I369 HydrophobicContact CG1-CD1 4.3Å; V366-I369 HydrophobicContact CG1-CG1 3.9Å; I369-M440 HydrophobicContact CB-CE 4.18Å; I369-M440 HydrophobicContact CB-SD 4.06Å; I369-M440 HydrophobicContact CD1-CE 4.04Å; I369-M440 HydrophobicContact CG2-CE 4.24Å; I369-M440 HydrophobicContact CG2-SD 4.11Å; I369-L443 HydrophobicContact CD1-CD1 3.88Å; I369-L451 HydrophobicContact CD1-CD2 3.77Å; I369-L451 HydrophobicContact CG1-CD1 4.28Å; I369-L451 HydrophobicContact CG1-CD2 4.12Å; I369-L451 HydrophobicContact CG1-CG 4.38Å; I369-P452 PolarHBondContact N-O 3.35Å; I369-H453 CarbonylContact O-C 3.54Å; I369-H453 WeakPolarHBondContact O-CA 3.26Å; I369-H453 WeakPolarHBondContact O-CB 3.31Å; I369-V454 PolarHBondContact O-N 3.24Å
370	I	98.5	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119	172.5	-60.2	170.4	0	0	0	107.6	F276 V277 L278 I406 V454 L456 L500 I503	F276-I370 PolarHBondContact O-N 3.14Å; V277-I370 CarbonylContact C-O 3.6Å; V277-I370 VanDerWaalsContact CA-O 3.23Å; V277-I370 WeakPolarHBondContact CA-O 3.45Å; V277-I370 HydrophobicContact CG1-CB 4.41Å; V277-I370 HydrophobicContact CG1-CG2 4.44Å; V277-I370 HydrophobicContact CG2-CB 4.44Å; L278-I370 PolarHBondContact N-O 3.46Å; I370-I406 HydrophobicContact CD1-CG2 4.1Å; I370-I406 HydrophobicContact CG1-CG2 4.4Å; I370-V454 CarbonylContact C-O 3.57Å; I370-V454 VanDerWaalsContact CA-O 3.27Å; I370-V454 WeakPolarHBondContact CA-O 3.27Å; I370-L456 HydrophobicContact CG2-CD1 3.85Å; I370-L456 HydrophobicContact CG2-CG 4.19Å; I370-L500 HydrophobicContact CD1-CD2 3.64Å; I370-I503 HydrophobicContact CD1-CD1 4Å
371	E	98.4	Very high	94	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.2	176.9	173.5	165.4	-159.1	0	0	110.4	L278 S438 S439 M440 V454 V455 L456	L278-E371 HydrophobicContact CD1-CB 3.66Å; L278-E371 HydrophobicContact CD1-CG 3.52Å; L278-E371 HydrophobicContact CG-CB 4.19Å; L278-E371 CarbonylContact O-C 3.46Å; L278-E371 WeakPolarHBondContact O-CA 3.44Å; E371-S438 WeakPolarHBondContact OE1-CA 3.28Å; E371-S438 WeakPolarHBondContact OE2-CB 3.48Å; E371-S438 PolarHBondContact OE2-OG 3.24Å; E371-S439 VanDerWaalsContact OE1-CB 3.28Å; E371-S439 WeakPolarHBondContact OE1-CB 3.32Å; E371-S439 PolarHBondContact OE1-N 2.79Å; E371-S439 PolarHBondContact OE1-OG 2.75Å; E371-S439 PolarHBondContact OE2-N 2.89Å; E371-S439 VanDerWaalsContact OE2-N 3.13Å; E371-M440 WeakPolarHBondContact OE2-CB 3.48Å; E371-M440 PolarHBondContact OE2-N 3.22Å; E371-V454 PolarHBondContact N-O 2.93Å; E371-V455 HydrophobicContact CB-CG1 4.35Å; E371-V455 HydrophobicContact CB-CG2 4.21Å; E371-V455 HydrophobicContact CG-CG1 4.26Å; E371-V455 CarbonylContact O-C 3.58Å; E371-V455 WeakPolarHBondContact O-CA 3.27Å; E371-L456 PolarHBondContact O-N 3.21Å
372	L	98.3	Very high	93.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.7	167.6	-53.4	-172.2	0	0	0	108.9	L278 T279 V303 L304 L375 L456 F492 L496	L278-L372 PolarHBondContact O-N 3.23Å; T279-L372 PolarHBondContact OG1-O 3.49Å; V303-L372 HydrophobicContact CG1-CD1 4.03Å; L304-L372 HydrophobicContact CB-CD1 4.17Å; L304-L372 HydrophobicContact CD1-CD1 4.11Å; L372-L375 HydrophobicContact CB-CD1 4.06Å; L372-L375 HydrophobicContact CD1-CD1 4.26Å; L372-L375 HydrophobicContact CD2-CD1 4.46Å; L372-L375 HydrophobicContact CG-CD1 4.5Å; L372-L456 HydrophobicContact CD2-CB 3.85Å; L372-L456 HydrophobicContact CD2-CD1 3.63Å; L372-L456 HydrophobicContact CD2-CG 4.19Å; L372-F492 HydrophobicContact CD2-CE1 4.37Å; L372-F492 HydrophobicContact CD2-CZ 4.34Å; L372-L496 HydrophobicContact CD1-CD2 3.74Å; L372-L496 HydrophobicContact CD2-CD2 3.87Å; L372-L496 HydrophobicContact CG-CD2 4.4Å
373	G	92.9	Very high	92.9	Very high	8 Å²	8	36.2 Å²	36.2	8%	0.082	18%	0.176	C	C	.	.			trans	-153.5	132.2	175.1	0	0	0	0	0	111.9	L456 S457	G373-L456 PolarHBondContact N-O 2.82Å; G373-S457 WeakPolarHBondContact O-CA 3.49Å; G373-S457 WeakPolarHBondContact O-CB 3.4Å
374	E	93.7	Very high	92.6	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	19%	0.188	C	C	.	.			trans	52.4	80.4	-179.4	-57.1	-71.3	141.5	0	0	111.8	G296 I437 D458 Y459	G296-E374 WeakPolarHBondContact CA-OE1 2.99Å; G296-E374 VanDerWaalsContact CA-OE2 3.22Å; G296-E374 WeakPolarHBondContact CA-OE2 3.42Å; E374-I437 HydrophobicContact CG-CD1 3.61Å; E374-D458 WeakPolarHBondContact O-CB 3.41Å; E374-D458 PolarHBondContact O-N 2.85Å; E374-Y459 HydrophobicContact CB-CD1 4.36Å; E374-Y459 HydrophobicContact CB-CE1 3.63Å; E374-Y459 HydrophobicContact CG-CE1 3.91Å
375	L	95.7	Very high	92.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.179	C	C	.	.			trans	-110.3	-5.1	-179.2	-62.6	-179.1	0	0	0	113.5	L372 L377 F387 L489 F492	L372-L375 HydrophobicContact CB-CD1 4.06Å; L372-L375 HydrophobicContact CD1-CD1 4.26Å; L372-L375 HydrophobicContact CD2-CD1 4.46Å; L372-L375 HydrophobicContact CG-CD1 4.5Å; L375-L377 PolarHBondContact O-N 3.5Å; L375-F387 HydrophobicContact CB-CE1 4.11Å; L375-F387 HydrophobicContact CD2-CD1 3.67Å; L375-F387 HydrophobicContact CD2-CE1 3.79Å; L375-L489 HydrophobicContact CB-CD2 4.39Å; L375-F492 HydrophobicContact CD1-CD1 4.1Å; L375-F492 HydrophobicContact CD1-CE1 3.48Å; L375-F492 VanDerWaalsContact CD1-CE1 3.48Å; L375-F492 HydrophobicContact CD1-CZ 3.93Å; L375-F492 HydrophobicContact CD2-CE1 4.29Å; L375-F492 HydrophobicContact CD2-CE2 4.34Å; L375-F492 HydrophobicContact CD2-CZ 3.92Å
376	G	94.2	Very high	92.6	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.2	-167.8	0	0	0	0	0	115.5	Q295 D458	Q295-G376 WeakPolarHBondContact O-CA 2.9Å; G376-D458 PolarHBondContact N-OD2 2.86Å
377	L	94.9	Very high	92.7	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.115	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	25.7	-166.2	-61.3	174.9	0	0	0	113.6	Q295 L375 R379 D458 L465 N466 P479	Q295-L377 HydrophobicContact CB-CD1 4.4Å; Q295-L377 HydrophobicContact CB-CD2 4.35Å; Q295-L377 HydrophobicContact CB-CG 4.34Å; Q295-L377 HydrophobicContact CG-CD2 4.49Å; L375-L377 PolarHBondContact O-N 3.5Å; L377-R379 PolarHBondContact O-N 3.42Å; L377-D458 VanDerWaalsContact CA-OD2 3.28Å; L377-D458 WeakPolarHBondContact CA-OD2 3.25Å; L377-D458 WeakPolarHBondContact CB-OD2 3.24Å; L377-D458 PolarHBondContact N-OD2 2.96Å; L377-L465 HydrophobicContact CB-CB 3.86Å; L377-L465 HydrophobicContact CB-CD1 4.2Å; L377-L465 HydrophobicContact CD1-CB 4.01Å; L377-L465 VanDerWaalsContact O-CD1 3.27Å; L377-L465 WeakPolarHBondContact O-CD1 3.27Å; L377-N466 HydrophobicContact CD1-CB 3.71Å; L377-P479 HydrophobicContact CD2-CB 3.95Å; L377-P479 HydrophobicContact CD2-CG 3.55Å
378	S	93	Very high	92.7	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.035	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-50.4	129.1	176.9	178.4	0	0	0	0	112.8	P385 M386 F387	S378-P385 WeakPolarHBondContact OG-CB 3.29Å; S378-M386 PolarHBondContact OG-N 2.92Å; S378-M386 VanDerWaalsContact OG-N 3.1Å; S378-M386 PolarHBondContact OG-O 2.81Å; S378-F387 VanDerWaalsContact CB-CZ 3.49Å
379	R	88.5	Confident	92.6	Very high	175 Å²	175	38.6 Å²	38.6	66%	0.66	19%	0.185	S	C	*	.	P	Polyproline II helix	trans	-89.8	144.4	175.5	-62.7	-179.1	-178.7	176.9	0.6	110.2	L377 M386 L465	L377-R379 PolarHBondContact O-N 3.42Å; R379-M386 PolarHBondContact O-N 3.16Å; R379-L465 HydrophobicContact CG-CD1 4.39Å
380	K	86.9	Confident	92.5	Very high	117 Å²	117	39.2 Å²	39.2	51%	0.509	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.1	173.6	-63.9	-178.2	-175.1	174.2	0	110.4	H384 T484	K380-H384 CarbonylContact C-O 3.55Å; K380-H384 VanDerWaalsContact CA-O 3.29Å; K380-H384 WeakPolarHBondContact CA-O 3.47Å; K380-T484 PolarHBondContact NZ-OG1 3.02Å
381	Q	82.9	Confident	92.3	Very high	81 Å²	81	40.4 Å²	40.4	38%	0.379	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.7	163.6	-173.4	-177	60.6	0	0	107.5	N383 H384 M386	Q381-N383 VanDerWaalsContact C-N 3.27Å; Q381-N383 PolarHBondContact O-N 3.3Å; Q381-H384 PolarHBondContact N-O 2.93Å; Q381-H384 PolarHBondContact O-N 3.28Å; Q381-M386 HydrophobicContact CB-CE 3.36Å; Q381-M386 HydrophobicContact CG-CE 3.86Å
382	D	80.9	Confident	92.1	Very high	122 Å²	122	40.9 Å²	40.9	65%	0.652	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	44.6	-178.7	-51	-38.6	0	0	0	112.5	H384	D382-H384 PolarHBondContact O-N 3.26Å; D382-H384 VanDerWaalsContact O-N 3.14Å; D382-H384 PolarHBondContact O-ND1 2.87Å
383	N	83.8	Confident	91.7	Very high	150 Å²	150	42.3 Å²	42.3	80%	0.802	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	-2.2	-175.7	-67.2	-23.8	0	0	0	117.3	Q381	Q381-N383 VanDerWaalsContact C-N 3.27Å; Q381-N383 PolarHBondContact O-N 3.3Å
384	H	89.4	Confident	91.6	Very high	67 Å²	67	47.6 Å²	47.6	31%	0.31	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.7	-179	-60.5	84.1	0	0	0	111.1	K380 Q381 D382 Q418 N421	K380-H384 CarbonylContact C-O 3.55Å; K380-H384 VanDerWaalsContact CA-O 3.29Å; K380-H384 WeakPolarHBondContact CA-O 3.47Å; Q381-H384 PolarHBondContact N-O 2.93Å; Q381-H384 PolarHBondContact O-N 3.28Å; D382-H384 PolarHBondContact O-N 3.26Å; D382-H384 VanDerWaalsContact O-N 3.14Å; D382-H384 PolarHBondContact O-ND1 2.87Å; H384-Q418 PolarHBondContact CD2-O 3.13Å; H384-Q418 VanDerWaalsContact CD2-O 3.27Å; H384-Q418 PolarHBondContact NE2-O 3.48Å; H384-Q418 VanDerWaalsContact NE2-O 3.14Å; H384-N421 WeakPolarHBondContact CB-ND2 3.29Å
385	P	93.8	Very high	91.6	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.058	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	138.3	169.5	26.3	-36.9	0	0	0	110.9	S378 F387 K419 V420 N421 I488	S378-P385 WeakPolarHBondContact OG-CB 3.29Å; P385-F387 HydrophobicContact CB-CE2 4.14Å; P385-K419 VanDerWaalsContact CD-O 3.23Å; P385-K419 WeakPolarHBondContact CD-O 3.29Å; P385-K419 WeakPolarHBondContact CG-O 3Å; P385-V420 HydrophobicContact CG-CG2 3.97Å; P385-N421 PolarHBondContact O-N 3.04Å; P385-I488 HydrophobicContact CB-CB 4.45Å; P385-I488 HydrophobicContact CB-CD1 4.37Å; P385-I488 HydrophobicContact CB-CG1 4.16Å; P385-I488 HydrophobicContact CB-CG2 3.55Å; P385-I488 HydrophobicContact CG-CG1 4.2Å; P385-I488 HydrophobicContact CG-CG2 3.94Å
386	M	93.9	Very high	91.5	Very high	20 Å²	20	49 Å²	49	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.9	-178.3	-175.1	-175.7	-73.2	0	0	110.8	S378 R379 Q381 F388	S378-M386 PolarHBondContact OG-N 2.92Å; S378-M386 VanDerWaalsContact OG-N 3.1Å; S378-M386 PolarHBondContact OG-O 2.81Å; R379-M386 PolarHBondContact O-N 3.16Å; Q381-M386 HydrophobicContact CB-CE 3.36Å; Q381-M386 HydrophobicContact CG-CE 3.86Å; M386-F388 HydrophobicContact CG-CE1 4.13Å; M386-F388 HydrophobicContact CG-CE2 4.1Å; M386-F388 HydrophobicContact CG-CZ 3.88Å; M386-F388 HydrophobicContact SD-CD1 4.46Å; M386-F388 HydrophobicContact SD-CE1 3.45Å; M386-F388 WeakPolarHBondContact SD-CE1 3.33Å; M386-F388 HydrophobicContact SD-CE2 3.81Å; M386-F388 HydrophobicContact SD-CZ 3.08Å; M386-F388 WeakPolarHBondContact SD-CZ 3.23Å
387	F	96.2	Very high	91.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.1	169	-63	-94.6	0	0	0	109.3	L375 S378 P385 V420 N421 L422 K423 S457 D458 I488 F492	L375-F387 HydrophobicContact CB-CE1 4.11Å; L375-F387 HydrophobicContact CD2-CD1 3.67Å; L375-F387 HydrophobicContact CD2-CE1 3.79Å; S378-F387 VanDerWaalsContact CB-CZ 3.49Å; P385-F387 HydrophobicContact CB-CE2 4.14Å; F387-V420 HydrophobicContact CD2-CG1 3.4Å; F387-V420 VanDerWaalsContact CD2-CG1 3.4Å; F387-V420 HydrophobicContact CE2-CG1 3.76Å; F387-N421 PolarHBondContact N-O 3.29Å; F387-L422 HydrophobicContact CB-CD2 3.76Å; F387-K423 PolarHBondContact O-N 3.36Å; F387-S457 CarbonylContact C-O 3.46Å; F387-S457 WeakPolarHBondContact CA-O 3.4Å; F387-D458 HydrophobicContact CD1-CB 4.26Å; F387-D458 HydrophobicContact CE1-CB 4.3Å; F387-I488 HydrophobicContact CE2-CG2 4.08Å; F387-I488 HydrophobicContact CZ-CG2 3.93Å; F387-F492 HydrophobicContact CB-CD2 4.29Å; F387-F492 HydrophobicContact CB-CE2 3.95Å; F387-F492 AromaticContact CD1-CD2 3.88Å; F387-F492 HydrophobicContact CD1-CD2 3.88Å; F387-F492 AromaticContact CD1-CE2 3.8Å; F387-F492 HydrophobicContact CD1-CE2 3.8Å; F387-F492 AromaticContact CD2-CD2 3.46Å; F387-F492 HydrophobicContact CD2-CD2 3.46Å; F387-F492 VanDerWaalsContact CD2-CD2 3.46Å; F387-F492 AromaticContact CD2-CE2 3.99Å; F387-F492 HydrophobicContact CD2-CE2 3.99Å; F387-F492 HydrophobicContact CD2-CG 4.43Å; F387-F492 AromaticContact CE1-CD2 3.95Å; F387-F492 HydrophobicContact CE1-CD2 3.95Å; F387-F492 HydrophobicContact CE1-CE2 4.23Å; F387-F492 HydrophobicContact CE1-CG 4.38Å; F387-F492 HydrophobicContact CE2-CB 3.97Å; F387-F492 AromaticContact CE2-CD2 3.53Å; F387-F492 HydrophobicContact CE2-CD2 3.53Å; F387-F492 HydrophobicContact CE2-CE2 4.39Å; F387-F492 HydrophobicContact CE2-CG 4.06Å; F387-F492 AromaticContact CG-CD2 3.62Å; F387-F492 HydrophobicContact CG-CD2 3.62Å; F387-F492 AromaticContact CG-CE2 3.65Å; F387-F492 HydrophobicContact CG-CE2 3.65Å; F387-F492 HydrophobicContact CZ-CB 4.04Å; F387-F492 AromaticContact CZ-CD2 3.76Å; F387-F492 HydrophobicContact CZ-CD2 3.76Å; F387-F492 HydrophobicContact CZ-CE2 4.49Å; F387-F492 HydrophobicContact CZ-CG 4.03Å
388	F	95.5	Very high	91.5	Very high	20 Å²	20	56.4 Å²	56.4	9%	0.088	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144	-172.9	-60.3	-82.5	0	0	0	111.7	M386 L390 K423 L456 S457 Y459 D460	M386-F388 HydrophobicContact CG-CE1 4.13Å; M386-F388 HydrophobicContact CG-CE2 4.1Å; M386-F388 HydrophobicContact CG-CZ 3.88Å; M386-F388 HydrophobicContact SD-CD1 4.46Å; M386-F388 HydrophobicContact SD-CE1 3.45Å; M386-F388 WeakPolarHBondContact SD-CE1 3.33Å; M386-F388 HydrophobicContact SD-CE2 3.81Å; M386-F388 HydrophobicContact SD-CZ 3.08Å; M386-F388 WeakPolarHBondContact SD-CZ 3.23Å; F388-L390 HydrophobicContact CB-CD2 3.93Å; F388-K423 CarbonylContact C-O 3.54Å; F388-K423 VanDerWaalsContact CA-O 3.28Å; F388-K423 WeakPolarHBondContact CA-O 3.23Å; F388-L456 WeakPolarHBondContact O-CA 3.49Å; F388-S457 PolarHBondContact N-O 2.79Å; F388-S457 PolarHBondContact O-N 3.29Å; F388-Y459 WeakPolarHBondContact CD2-O 3.34Å; F388-D460 HydrophobicContact CB-CB 4.22Å; F388-D460 HydrophobicContact CD1-CB 3.53Å; F388-D460 HydrophobicContact CD2-CB 3.86Å; F388-D460 HydrophobicContact CE1-CB 3.62Å; F388-D460 HydrophobicContact CE2-CB 3.94Å; F388-D460 HydrophobicContact CG-CB 3.6Å; F388-D460 HydrophobicContact CZ-CB 3.77Å
389	M	95.9	Very high	91.6	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102.7	172.5	-67.2	179.5	-73.3	0	0	108.4	F407 L410 L422 K423 R424 P425 V454 L456	M389-F407 HydrophobicContact CB-CD1 4.15Å; M389-F407 HydrophobicContact CB-CE1 3.8Å; M389-F407 HydrophobicContact CE-CD1 4.4Å; M389-F407 HydrophobicContact CG-CD1 4.48Å; M389-F407 HydrophobicContact SD-CD1 3.7Å; M389-F407 HydrophobicContact SD-CE1 4.33Å; M389-L410 HydrophobicContact SD-CB 3.95Å; M389-L410 HydrophobicContact SD-CD1 3.88Å; M389-L422 HydrophobicContact CE-CB 4.2Å; M389-L422 HydrophobicContact SD-CB 4.47Å; M389-K423 PolarHBondContact N-O 3.14Å; M389-R424 HydrophobicContact CB-CG 4.41Å; M389-R424 HydrophobicContact CE-CG 4.11Å; M389-P425 WeakPolarHBondContact O-CD 3.38Å; M389-V454 HydrophobicContact CB-CG1 3.76Å; M389-V454 HydrophobicContact CG-CG1 3.94Å; M389-L456 HydrophobicContact CB-CD2 4.42Å; M389-L456 HydrophobicContact CG-CD2 3.56Å
390	L	95.1	Very high	91.9	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.068	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	147.4	-178.9	-44.2	-179.9	0	0	0	111.1	F388 P425 L434 P435 V455 S457	F388-L390 HydrophobicContact CB-CD2 3.93Å; L390-P425 HydrophobicContact CD2-CG 3.59Å; L390-L434 HydrophobicContact CB-CD2 4.2Å; L390-P435 HydrophobicContact CD1-CG 3.74Å; L390-V455 HydrophobicContact CB-CB 4.2Å; L390-V455 PolarHBondContact N-O 2.9Å; L390-V455 PolarHBondContact O-N 2.68Å; L390-S457 VanDerWaalsContact CD1-OG 3.3Å; L390-S457 WeakPolarHBondContact CD1-OG 3.25Å
391	T	94.7	Very high	92.3	Very high	24 Å²	24	54.5 Å²	54.5	15%	0.147	28%	0.276	C	S	.	.			trans	-147.3	151.9	178.9	53.8	0	0	0	0	110.4	D393 T403 F407 H453	T391-D393 PolarHBondContact O-N 3.45Å; T391-T403 HydrophobicContact CG2-CG2 3.98Å; T391-F407 HydrophobicContact CG2-CE1 4.05Å; T391-F407 HydrophobicContact CG2-CZ 3.51Å; T391-H453 VanDerWaalsContact CG2-O 3.28Å; T391-H453 WeakPolarHBondContact CG2-O 3.34Å
392	D	93.7	Very high	92.8	Very high	14 Å²	14	55.1 Å²	55.1	8%	0.075	28%	0.278	C	S	.	.			trans	-70.3	119.9	164.2	175.5	68.5	0	0	0	110.3	Y142 K394 T395 Y396 L434 L444 H453	Y142-D392 VanDerWaalsContact CE1-OD1 3.22Å; Y142-D392 WeakPolarHBondContact CE1-OD1 3.14Å; Y142-D392 WeakPolarHBondContact OH-CB 3.25Å; Y142-D392 PolarHBondContact OH-OD1 3.23Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 2.7Å; D392-K394 PolarHBondContact OD2-N 2.99Å; D392-T395 PolarHBondContact O-N 3.08Å; D392-T395 VanDerWaalsContact OD2-CB 3.28Å; D392-T395 WeakPolarHBondContact OD2-CB 3.37Å; D392-T395 PolarHBondContact OD2-N 3.48Å; D392-T395 PolarHBondContact OD2-OG1 3.24Å; D392-Y396 VanDerWaalsContact O-CB 3.25Å; D392-Y396 WeakPolarHBondContact O-CB 3.47Å; D392-Y396 PolarHBondContact O-N 3.21Å; D392-L434 HydrophobicContact CB-CD1 4.19Å; D392-L434 HydrophobicContact CB-CG 4.31Å; D392-L444 HydrophobicContact CB-CD1 3.84Å; D392-H453 PolarHBondContact N-NE2 2.91Å
393	D	90.3	Very high	93.5	Very high	29 Å²	29	49.4 Å²	49.4	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-37.6	-174.3	-80.4	-40.4	0	0	0	112.8	T391 N397 E431	T391-D393 PolarHBondContact O-N 3.45Å; D393-N397 WeakPolarHBondContact O-CB 3.28Å; D393-N397 VanDerWaalsContact O-CG 3.29Å; D393-N397 PolarHBondContact O-N 3.01Å; D393-N397 PolarHBondContact O-ND2 2.92Å; D393-N397 VanDerWaalsContact O-ND2 3.08Å; D393-E431 HydrophobicContact CB-CB 4.49Å; D393-E431 HydrophobicContact CB-CG 4.29Å; D393-E431 WeakPolarHBondContact OD2-CA 3.42Å; D393-E431 VanDerWaalsContact OD2-CB 3.27Å; D393-E431 WeakPolarHBondContact OD2-CB 3.19Å; D393-E431 VanDerWaalsContact OD2-CG 3.32Å; D393-E431 WeakPolarHBondContact OD2-CG 3.38Å
394	K	91.2	Very high	94.1	Very high	119 Å²	119	44.8 Å²	44.8	52%	0.517	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-48.8	179.2	-67.3	171.9	-172	152.1	0	110.4	E146 D392	E146-K394 IonicContact OE1-NZ 2.85Å; E146-K394 PolarHBondContact OE1-NZ 2.93Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 2.7Å; D392-K394 PolarHBondContact OD2-N 2.99Å
395	T	93.6	Very high	94.3	Very high	21 Å²	21	44 Å²	44	13%	0.129	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-45	178.4	-54.3	0	0	0	0	111.1	D392 N397 V398 T399 L444 L451	D392-T395 PolarHBondContact O-N 3.08Å; D392-T395 VanDerWaalsContact OD2-CB 3.28Å; D392-T395 WeakPolarHBondContact OD2-CB 3.37Å; D392-T395 PolarHBondContact OD2-N 3.48Å; D392-T395 PolarHBondContact OD2-OG1 3.24Å; T395-N397 VanDerWaalsContact C-N 3.28Å; T395-N397 PolarHBondContact O-N 3.44Å; T395-V398 PolarHBondContact O-N 3.24Å; T395-T399 HydrophobicContact CG2-CG2 4.14Å; T395-T399 PolarHBondContact O-N 2.62Å; T395-T399 PolarHBondContact O-OG1 3.33Å; T395-T399 VanDerWaalsContact O-OG1 3.09Å; T395-L444 HydrophobicContact CG2-CD2 3.92Å; T395-L451 VanDerWaalsContact CG2-O 3.3Å; T395-L451 WeakPolarHBondContact CG2-O 3.28Å
396	Y	93.6	Very high	94.4	Very high	12 Å²	12	43.6 Å²	43.6	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-55.3	-42.1	178.1	170	-106.2	0	0	0	112.2	D392 V398 T399 R400 T403 D404 F407	D392-Y396 VanDerWaalsContact O-CB 3.25Å; D392-Y396 WeakPolarHBondContact O-CB 3.47Å; D392-Y396 PolarHBondContact O-N 3.21Å; Y396-V398 PolarHBondContact O-N 2.82Å; Y396-T399 CarbonylContact O-C 3.5Å; Y396-T399 PolarHBondContact O-N 3.24Å; Y396-R400 HydrophobicContact CE2-CG 4.25Å; Y396-R400 WeakPolarHBondContact O-CA 3.38Å; Y396-R400 WeakPolarHBondContact O-CB 3.35Å; Y396-R400 PolarHBondContact O-N 2.82Å; Y396-T403 HydrophobicContact CD2-CG2 3.78Å; Y396-T403 HydrophobicContact CE2-CG2 4.16Å; Y396-D404 VanDerWaalsContact CE2-OD1 3.27Å; Y396-D404 WeakPolarHBondContact CE2-OD1 3.46Å; Y396-D404 PolarHBondContact OH-OD1 3.24Å; Y396-D404 PolarHBondContact OH-OD2 3.09Å; Y396-F407 HydrophobicContact CD2-CE2 4.25Å; Y396-F407 HydrophobicContact CE2-CD2 4.47Å; Y396-F407 AromaticContact CE2-CE2 3.74Å; Y396-F407 HydrophobicContact CE2-CE2 3.74Å
397	N	93.4	Very high	94.5	Very high	79 Å²	79	43 Å²	43	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-29.4	178.8	-77.7	-36.2	0	0	0	112.8	D393 T395 R400	D393-N397 WeakPolarHBondContact O-CB 3.28Å; D393-N397 VanDerWaalsContact O-CG 3.29Å; D393-N397 PolarHBondContact O-N 3.01Å; D393-N397 PolarHBondContact O-ND2 2.92Å; D393-N397 VanDerWaalsContact O-ND2 3.08Å; T395-N397 VanDerWaalsContact C-N 3.28Å; T395-N397 PolarHBondContact O-N 3.44Å; N397-R400 PolarHBondContact OD1-NH2 3.42Å
398	V	95.6	Very high	94.5	Very high	104 Å²	104	48.8 Å²	48.8	63%	0.63	24%	0.241	S	C	*	.	H	α-helix	trans	-85.8	-36.8	176.5	-175.7	0	0	0	0	111.7	T395 Y396 P450	T395-V398 PolarHBondContact O-N 3.24Å; Y396-V398 PolarHBondContact O-N 2.82Å; V398-P450 HydrophobicContact CB-CB 4.25Å; V398-P450 HydrophobicContact CB-CG 4.44Å; V398-P450 HydrophobicContact CG1-CB 3.84Å; V398-P450 HydrophobicContact CG1-CG 3.69Å
399	T	95.3	Very high	94.5	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-98.6	14.8	-176.2	64.3	0	0	0	0	113.9	T395 Y396 N401 F402 T403 P450 P452	T395-T399 HydrophobicContact CG2-CG2 4.14Å; T395-T399 PolarHBondContact O-N 2.62Å; T395-T399 PolarHBondContact O-OG1 3.33Å; T395-T399 VanDerWaalsContact O-OG1 3.09Å; Y396-T399 CarbonylContact O-C 3.5Å; Y396-T399 PolarHBondContact O-N 3.24Å; T399-N401 VanDerWaalsContact C-N 3.3Å; T399-N401 PolarHBondContact O-N 3.02Å; T399-N401 VanDerWaalsContact O-N 3.09Å; T399-F402 PolarHBondContact O-N 2.97Å; T399-T403 PolarHBondContact O-N 2.75Å; T399-T403 PolarHBondContact O-OG1 2.98Å; T399-T403 PolarHBondContact OG1-OG1 3.32Å; T399-P450 HydrophobicContact CG2-CB 3.67Å; T399-P452 HydrophobicContact CG2-CG 3.97Å
400	R	94.7	Very high	94.5	Very high	115 Å²	115	48 Å²	48	43%	0.434	24%	0.238	S	C	.	.	H	α-helix	trans	-46.3	-49.4	-167.7	-177.8	178.7	-67.9	-172.1	0.8	113.4	Y396 N397 F402 T403 D404	Y396-R400 HydrophobicContact CE2-CG 4.25Å; Y396-R400 WeakPolarHBondContact O-CA 3.38Å; Y396-R400 WeakPolarHBondContact O-CB 3.35Å; Y396-R400 PolarHBondContact O-N 2.82Å; N397-R400 PolarHBondContact OD1-NH2 3.42Å; R400-F402 VanDerWaalsContact C-N 3.31Å; R400-F402 PolarHBondContact O-N 3.17Å; R400-T403 PolarHBondContact O-N 3.18Å; R400-D404 WeakPolarHBondContact CG-OD2 3.36Å; R400-D404 WeakPolarHBondContact O-CB 3.16Å; R400-D404 VanDerWaalsContact O-CG 3.31Å; R400-D404 PolarHBondContact O-N 3.48Å
401	N	93.9	Very high	94.6	Very high	135 Å²	135	49.4 Å²	49.4	72%	0.722	25%	0.247	S	C	*	.	H	α-helix	trans	-60.8	-40	-176.8	-66	-10.7	0	0	0	112.6	T399 N405	T399-N401 VanDerWaalsContact C-N 3.3Å; T399-N401 PolarHBondContact O-N 3.02Å; T399-N401 VanDerWaalsContact O-N 3.09Å; N401-N405 PolarHBondContact O-N 2.99Å
402	F	94.5	Very high	94.6	Very high	95 Å²	95	49.1 Å²	49.1	42%	0.417	25%	0.247	S	C	.	.	H	α-helix	trans	-74.5	-45.2	179.6	-61	-82.5	0	0	0	110.9	Y367 T399 R400 N405 I406 P452	Y367-F402 HydrophobicContact CD2-CD1 4.36Å; Y367-F402 AromaticContact CE2-CD1 3.57Å; Y367-F402 HydrophobicContact CE2-CD1 3.57Å; Y367-F402 HydrophobicContact CE2-CE1 4.12Å; Y367-F402 AromaticContact CZ-CD1 3.96Å; T399-F402 PolarHBondContact O-N 2.97Å; R400-F402 VanDerWaalsContact C-N 3.31Å; R400-F402 PolarHBondContact O-N 3.17Å; F402-N405 WeakPolarHBondContact O-CB 3.34Å; F402-N405 PolarHBondContact O-N 2.71Å; F402-I406 PolarHBondContact O-N 2.99Å; F402-P452 HydrophobicContact CB-CB 3.8Å; F402-P452 HydrophobicContact CB-CG 3.61Å; F402-P452 HydrophobicContact CD2-CG 4.42Å; F402-P452 HydrophobicContact CG-CG 4.09Å
403	T	95.4	Very high	94.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-39.9	-179	-51.7	0	0	0	0	112.2	T391 Y396 T399 R400 N405 I406 F407 H453 V454	T391-T403 HydrophobicContact CG2-CG2 3.98Å; Y396-T403 HydrophobicContact CD2-CG2 3.78Å; Y396-T403 HydrophobicContact CE2-CG2 4.16Å; T399-T403 PolarHBondContact O-N 2.75Å; T399-T403 PolarHBondContact O-OG1 2.98Å; T399-T403 PolarHBondContact OG1-OG1 3.32Å; R400-T403 PolarHBondContact O-N 3.18Å; T403-N405 VanDerWaalsContact C-N 3.26Å; T403-N405 PolarHBondContact O-N 3.26Å; T403-I406 WeakPolarHBondContact O-CB 3.23Å; T403-I406 PolarHBondContact O-N 2.98Å; T403-I406 VanDerWaalsContact O-N 3.16Å; T403-F407 HydrophobicContact CG2-CD2 4.32Å; T403-F407 HydrophobicContact CG2-CE1 4.14Å; T403-F407 HydrophobicContact CG2-CE2 3.76Å; T403-F407 HydrophobicContact CG2-CZ 3.68Å; T403-F407 WeakPolarHBondContact O-CG 3.34Å; T403-F407 PolarHBondContact O-N 3.49Å; T403-H453 WeakPolarHBondContact CG2-O 2.86Å; T403-V454 HydrophobicContact CG2-CG2 4.23Å
404	D	95.6	Very high	94.9	Very high	53 Å²	53	47.4 Å²	47.4	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-31.7	175.7	-76.7	-15.7	0	0	0	111.6	Y396 R400 F407 H408 R424	Y396-D404 VanDerWaalsContact CE2-OD1 3.27Å; Y396-D404 WeakPolarHBondContact CE2-OD1 3.46Å; Y396-D404 PolarHBondContact OH-OD1 3.24Å; Y396-D404 PolarHBondContact OH-OD2 3.09Å; R400-D404 WeakPolarHBondContact CG-OD2 3.36Å; R400-D404 WeakPolarHBondContact O-CB 3.16Å; R400-D404 VanDerWaalsContact O-CG 3.31Å; R400-D404 PolarHBondContact O-N 3.48Å; D404-F407 PolarHBondContact O-N 3.19Å; D404-H408 WeakPolarHBondContact O-CB 3.05Å; D404-H408 PolarHBondContact O-N 2.84Å; D404-R424 IonicContact OD1-NH1 3.69Å
405	N	94.5	Very high	95	Very high	51 Å²	51	48 Å²	48	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-43.3	173.1	-166.8	43.4	0	0	0	111.6	Y367 N401 F402 T403 H408 H409	Y367-N405 PolarHBondContact OH-ND2 3.48Å; N401-N405 PolarHBondContact O-N 2.99Å; F402-N405 WeakPolarHBondContact O-CB 3.34Å; F402-N405 PolarHBondContact O-N 2.71Å; T403-N405 VanDerWaalsContact C-N 3.26Å; T403-N405 PolarHBondContact O-N 3.26Å; N405-H408 WeakPolarHBondContact O-CB 3.11Å; N405-H408 PolarHBondContact O-N 3.34Å; N405-H409 PolarHBondContact O-CD2 2.89Å; N405-H409 PolarHBondContact O-N 3.43Å; N405-H409 VanDerWaalsContact O-N 3.1Å; N405-H409 PolarHBondContact OD1-NE2 2.82Å
406	I	96	Very high	94.9	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-47.1	175.2	-61.2	166.1	0	0	0	110.1	Y367 A368 I370 F402 T403 H408 H409 L410 V454 I503	Y367-I406 HydrophobicContact CE1-CD1 4.37Å; Y367-I406 HydrophobicContact CE1-CG1 4.32Å; A368-I406 HydrophobicContact CB-CD1 3.34Å; I370-I406 HydrophobicContact CD1-CG2 4.1Å; I370-I406 HydrophobicContact CG1-CG2 4.4Å; F402-I406 PolarHBondContact O-N 2.99Å; T403-I406 WeakPolarHBondContact O-CB 3.23Å; T403-I406 PolarHBondContact O-N 2.98Å; T403-I406 VanDerWaalsContact O-N 3.16Å; I406-H408 VanDerWaalsContact C-N 3.29Å; I406-H408 PolarHBondContact O-N 3.24Å; I406-H409 PolarHBondContact O-N 2.87Å; I406-L410 HydrophobicContact CG2-CD1 3.8Å; I406-L410 HydrophobicContact CG2-CG 4.26Å; I406-L410 WeakPolarHBondContact O-CB 3.33Å; I406-L410 WeakPolarHBondContact O-CG 3.3Å; I406-L410 PolarHBondContact O-N 2.99Å; I406-V454 HydrophobicContact CB-CG2 4.28Å; I406-V454 HydrophobicContact CG2-CG2 3.67Å; I406-I503 HydrophobicContact CG2-CD1 3.97Å
407	F	95.9	Very high	94.7	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-42.9	176.3	-66.3	-30.2	0	0	0	112.3	M389 T391 Y396 T403 D404 L410 T411 R424 V454	M389-F407 HydrophobicContact CB-CD1 4.15Å; M389-F407 HydrophobicContact CB-CE1 3.8Å; M389-F407 HydrophobicContact CE-CD1 4.4Å; M389-F407 HydrophobicContact CG-CD1 4.48Å; M389-F407 HydrophobicContact SD-CD1 3.7Å; M389-F407 HydrophobicContact SD-CE1 4.33Å; T391-F407 HydrophobicContact CG2-CE1 4.05Å; T391-F407 HydrophobicContact CG2-CZ 3.51Å; Y396-F407 HydrophobicContact CD2-CE2 4.25Å; Y396-F407 HydrophobicContact CE2-CD2 4.47Å; Y396-F407 AromaticContact CE2-CE2 3.74Å; Y396-F407 HydrophobicContact CE2-CE2 3.74Å; T403-F407 HydrophobicContact CG2-CD2 4.32Å; T403-F407 HydrophobicContact CG2-CE1 4.14Å; T403-F407 HydrophobicContact CG2-CE2 3.76Å; T403-F407 HydrophobicContact CG2-CZ 3.68Å; T403-F407 WeakPolarHBondContact O-CG 3.34Å; T403-F407 PolarHBondContact O-N 3.49Å; D404-F407 PolarHBondContact O-N 3.19Å; F407-L410 PolarHBondContact O-N 3.32Å; F407-T411 VanDerWaalsContact O-CB 3.25Å; F407-T411 WeakPolarHBondContact O-CB 3.3Å; F407-T411 PolarHBondContact O-N 3.42Å; F407-T411 PolarHBondContact O-OG1 2.99Å; F407-R424 HydrophobicContact CE2-CG 4.43Å; F407-R424 HydrophobicContact CZ-CG 4.37Å; F407-V454 HydrophobicContact CD1-CG2 3.89Å; F407-V454 HydrophobicContact CE1-CB 4.4Å; F407-V454 HydrophobicContact CE1-CG1 4.03Å; F407-V454 HydrophobicContact CE1-CG2 3.5Å; F407-V454 HydrophobicContact CZ-CG2 4.41Å
408	H	95.8	Very high	94.6	Very high	120 Å²	120	55.3 Å²	55.3	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-59.7	-49	178.9	176.3	-88.9	0	0	0	111.2	D404 N405 I406 T411 A412	D404-H408 WeakPolarHBondContact O-CB 3.05Å; D404-H408 PolarHBondContact O-N 2.84Å; N405-H408 WeakPolarHBondContact O-CB 3.11Å; N405-H408 PolarHBondContact O-N 3.34Å; I406-H408 VanDerWaalsContact C-N 3.29Å; I406-H408 PolarHBondContact O-N 3.24Å; H408-T411 PolarHBondContact O-N 2.92Å; H408-A412 VanDerWaalsContact O-CB 3.29Å; H408-A412 WeakPolarHBondContact O-CB 3.29Å; H408-A412 PolarHBondContact O-N 3.43Å
409	H	95.5	Very high	94.4	Very high	9 Å²	9	54.7 Å²	54.7	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-40.3	-179.8	-67.1	-58.7	0	0	0	113.4	N405 I406 A412 A413 R502 I503 H508	N405-H409 PolarHBondContact O-CD2 2.89Å; N405-H409 PolarHBondContact O-N 3.43Å; N405-H409 VanDerWaalsContact O-N 3.1Å; N405-H409 PolarHBondContact OD1-NE2 2.82Å; I406-H409 PolarHBondContact O-N 2.87Å; H409-A412 PolarHBondContact O-N 3.35Å; H409-A413 WeakPolarHBondContact O-CB 3.37Å; H409-A413 PolarHBondContact O-N 3.28Å; H409-R502 HydrophobicContact CB-CB 4.03Å; H409-I503 HydrophobicContact CB-CD1 4.37Å; H409-I503 HydrophobicContact CB-CG1 3.64Å; H409-H508 AromaticContact CE1-CD2 3.71Å; H409-H508 AromaticContact CE1-CG 3.63Å; H409-H508 AromaticContact NE2-CD2 3.89Å
410	L	96.6	Very high	94.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-40.9	175.6	-69.9	177.2	0	0	0	111.8	M389 I406 F407 A413 S414 L422 V454 L456 L496 I503	M389-L410 HydrophobicContact SD-CB 3.95Å; M389-L410 HydrophobicContact SD-CD1 3.88Å; I406-L410 HydrophobicContact CG2-CD1 3.8Å; I406-L410 HydrophobicContact CG2-CG 4.26Å; I406-L410 WeakPolarHBondContact O-CB 3.33Å; I406-L410 WeakPolarHBondContact O-CG 3.3Å; I406-L410 PolarHBondContact O-N 2.99Å; F407-L410 PolarHBondContact O-N 3.32Å; L410-A413 PolarHBondContact O-N 2.86Å; L410-S414 PolarHBondContact O-N 3.47Å; L410-L422 HydrophobicContact CB-CD1 4.2Å; L410-V454 HydrophobicContact CD1-CG1 4.39Å; L410-L456 HydrophobicContact CD1-CD2 4.37Å; L410-L496 HydrophobicContact CD2-CD1 4.39Å; L410-I503 HydrophobicContact CD2-CD1 4.46Å; L410-I503 HydrophobicContact CG-CD1 4.45Å
411	T	95.9	Very high	94.3	Very high	42 Å²	42	50.7 Å²	50.7	26%	0.258	26%	0.256	S	S	.	.	H	α-helix	trans	-68	-43.5	177.3	-52.1	0	0	0	0	110.8	F407 H408 A413 S414 E415	F407-T411 VanDerWaalsContact O-CB 3.25Å; F407-T411 WeakPolarHBondContact O-CB 3.3Å; F407-T411 PolarHBondContact O-N 3.42Å; F407-T411 PolarHBondContact O-OG1 2.99Å; H408-T411 PolarHBondContact O-N 2.92Å; T411-A413 VanDerWaalsContact C-N 3.25Å; T411-A413 PolarHBondContact O-N 2.91Å; T411-S414 WeakPolarHBondContact O-CB 3.45Å; T411-S414 PolarHBondContact O-N 3.49Å; T411-S414 VanDerWaalsContact O-N 3.09Å; T411-E415 HydrophobicContact CG2-CG 4.42Å; T411-E415 WeakPolarHBondContact O-CG 3.47Å; T411-E415 PolarHBondContact O-N 3.25Å
412	A	95.3	Very high	94.3	Very high	18 Å²	18	44.6 Å²	44.6	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-36.9	175.8	0	0	0	0	0	112.1	H408 H409 T416	H408-A412 VanDerWaalsContact O-CB 3.29Å; H408-A412 WeakPolarHBondContact O-CB 3.29Å; H408-A412 PolarHBondContact O-N 3.43Å; H409-A412 PolarHBondContact O-N 3.35Å; A412-T416 WeakPolarHBondContact O-CB 3.41Å; A412-T416 PolarHBondContact O-N 3.39Å; A412-T416 PolarHBondContact O-OG1 3.35Å
413	A	95.8	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-40.8	174	0	0	0	0	0	112.8	H409 L410 T411 T416 N417 T495 D498	H409-A413 WeakPolarHBondContact O-CB 3.37Å; H409-A413 PolarHBondContact O-N 3.28Å; L410-A413 PolarHBondContact O-N 2.86Å; T411-A413 VanDerWaalsContact C-N 3.25Å; T411-A413 PolarHBondContact O-N 2.91Å; A413-T416 PolarHBondContact O-N 3.34Å; A413-N417 WeakPolarHBondContact O-CB 3.28Å; A413-N417 PolarHBondContact O-N 3.05Å; A413-N417 PolarHBondContact O-ND2 3.02Å; A413-T495 HydrophobicContact CB-CG2 4.19Å; A413-T495 WeakPolarHBondContact CB-O 3.24Å; A413-D498 WeakPolarHBondContact CA-OD2 3.5Å; A413-D498 HydrophobicContact CB-CB 3.91Å; A413-D498 WeakPolarHBondContact CB-OD2 3.18Å
414	S	95	Very high	94	Very high	7 Å²	7	48.4 Å²	48.4	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-45	174.1	168.8	0	0	0	0	111.5	L410 T411 Q418 V420 L422	L410-S414 PolarHBondContact O-N 3.47Å; T411-S414 WeakPolarHBondContact O-CB 3.45Å; T411-S414 PolarHBondContact O-N 3.49Å; T411-S414 VanDerWaalsContact O-N 3.09Å; S414-Q418 PolarHBondContact O-N 3.14Å; S414-V420 PolarHBondContact OG-O 2.85Å; S414-L422 PolarHBondContact OG-N 2.9Å
415	E	93.8	Very high	93.6	Very high	132 Å²	132	48 Å²	48	62%	0.617	24%	0.237	S	C	*	.	H	α-helix	trans	-68.5	-34.2	177.5	-71.2	176.3	178.2	0	0	113.4	T411 Q418	T411-E415 HydrophobicContact CG2-CG 4.42Å; T411-E415 WeakPolarHBondContact O-CG 3.47Å; T411-E415 PolarHBondContact O-N 3.25Å; E415-Q418 WeakPolarHBondContact O-CG 3.11Å
416	T	91.7	Very high	92.3	Very high	80 Å²	80	53.3 Å²	53.3	49%	0.491	26%	0.258	S	S	.	.	H	α-helix	trans	-70.8	-43.6	178	-60	0	0	0	0	110.9	A412 A413 R502	A412-T416 WeakPolarHBondContact O-CB 3.41Å; A412-T416 PolarHBondContact O-N 3.39Å; A412-T416 PolarHBondContact O-OG1 3.35Å; A413-T416 PolarHBondContact O-N 3.34Å; T416-R502 PolarHBondContact OG1-NH2 2.84Å
417	N	89	Confident	90.7	Very high	39 Å²	39	57.5 Å²	57.5	21%	0.209	28%	0.281	C	S	.	.	H	α-helix	trans	-76.9	-31.1	-179.6	-73.8	-53.9	0	0	0	112.8	A413 K419 T495	A413-N417 WeakPolarHBondContact O-CB 3.28Å; A413-N417 PolarHBondContact O-N 3.05Å; A413-N417 PolarHBondContact O-ND2 3.02Å; N417-K419 WeakPolarHBondContact O-CG 3.41Å; N417-K419 PolarHBondContact O-N 3.37Å; N417-K419 VanDerWaalsContact O-N 3.15Å; N417-T495 WeakPolarHBondContact ND2-CA 3.43Å
418	Q	90.8	Very high	88.9	Confident	145 Å²	145	63.8 Å²	63.8	68%	0.678	31%	0.308	S	S	*	.			trans	55.8	26.5	-179.9	-55.8	-175.7	-9.3	0	0	114.6	H384 S414 E415	H384-Q418 PolarHBondContact CD2-O 3.13Å; H384-Q418 VanDerWaalsContact CD2-O 3.27Å; H384-Q418 PolarHBondContact NE2-O 3.48Å; H384-Q418 VanDerWaalsContact NE2-O 3.14Å; S414-Q418 PolarHBondContact O-N 3.14Å; E415-Q418 WeakPolarHBondContact O-CG 3.11Å
419	K	92.2	Very high	86.8	Confident	92 Å²	92	65.4 Å²	65.4	40%	0.4	32%	0.32	S	S	.	.	S	Bend	trans	-116.8	-26.7	-179.3	-65.3	-167.9	-169.8	-175	0	114.1	P385 N417 D491	P385-K419 VanDerWaalsContact CD-O 3.23Å; P385-K419 WeakPolarHBondContact CD-O 3.29Å; P385-K419 WeakPolarHBondContact CG-O 3Å; N417-K419 WeakPolarHBondContact O-CG 3.41Å; N417-K419 PolarHBondContact O-N 3.37Å; N417-K419 VanDerWaalsContact O-N 3.15Å; K419-D491 HydrophobicContact CB-CB 3.95Å; K419-D491 HydrophobicContact CD-CB 4.06Å; K419-D491 WeakPolarHBondContact CD-OD1 3.19Å; K419-D491 WeakPolarHBondContact CD-OD2 3.28Å; K419-D491 IonicContact NZ-OD1 2.81Å; K419-D491 PolarHBondContact NZ-OD1 3.42Å
420	V	93.8	Very high	85.2	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.34	C	S	.	.			trans	-130.8	137.9	-177.7	178.2	0	0	0	0	108.1	P385 F387 S414 D491 F492	P385-V420 HydrophobicContact CG-CG2 3.97Å; F387-V420 HydrophobicContact CD2-CG1 3.4Å; F387-V420 VanDerWaalsContact CD2-CG1 3.4Å; F387-V420 HydrophobicContact CE2-CG1 3.76Å; S414-V420 PolarHBondContact OG-O 2.85Å; V420-D491 HydrophobicContact CG2-CB 3.76Å; V420-F492 HydrophobicContact CG1-CD2 4.23Å; V420-F492 HydrophobicContact CG2-CB 4.39Å
421	N	93.9	Very high	84.3	Confident	36 Å²	36	76.8 Å²	76.8	19%	0.193	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.1	174.4	-76.9	-29.1	0	0	0	109.9	H384 P385 F387	H384-N421 WeakPolarHBondContact CB-ND2 3.29Å; P385-N421 PolarHBondContact O-N 3.04Å; F387-N421 PolarHBondContact N-O 3.29Å
422	L	94.3	Very high	84	Confident	8 Å²	8	77.3 Å²	77.3	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.5	167.6	-69.8	172.3	0	0	0	109.1	F387 M389 L410 S414 L456 F492 T495	F387-L422 HydrophobicContact CB-CD2 3.76Å; M389-L422 HydrophobicContact CE-CB 4.2Å; M389-L422 HydrophobicContact SD-CB 4.47Å; L410-L422 HydrophobicContact CB-CD1 4.2Å; S414-L422 PolarHBondContact OG-N 2.9Å; L422-L456 HydrophobicContact CD2-CD2 4.31Å; L422-F492 HydrophobicContact CD2-CE2 3.97Å; L422-T495 HydrophobicContact CD1-CG2 3.73Å; L422-T495 HydrophobicContact CG-CG2 4.49Å
423	K	91.6	Very high	83.8	Confident	52 Å²	52	76.9 Å²	76.9	23%	0.226	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.2	-176.8	-66.1	-175.6	178.6	176.9	0	111.9	F387 F388 M389 F426	F387-K423 PolarHBondContact O-N 3.36Å; F388-K423 CarbonylContact C-O 3.54Å; F388-K423 VanDerWaalsContact CA-O 3.28Å; F388-K423 WeakPolarHBondContact CA-O 3.23Å; M389-K423 PolarHBondContact N-O 3.14Å; K423-F426 HydrophobicContact CD-CE2 3.74Å; K423-F426 HydrophobicContact CD-CZ 3.8Å
424	R	90.8	Very high	83.7	Confident	123 Å²	123	77 Å²	77	46%	0.464	37%	0.365	S	S	.	.			trans	-83.4	148.3	165.4	-65.2	-176	-67.2	174.3	-4.6	109.4	M389 D404 F407 F426	M389-R424 HydrophobicContact CB-CG 4.41Å; M389-R424 HydrophobicContact CE-CG 4.11Å; D404-R424 IonicContact OD1-NH1 3.69Å; F407-R424 HydrophobicContact CE2-CG 4.43Å; F407-R424 HydrophobicContact CZ-CG 4.37Å; R424-F426 PolarHBondContact O-N 3.06Å
425	P	86.7	Confident	83.7	Confident	46 Å²	46	76.8 Å²	76.8	30%	0.299	36%	0.364	S	S	.	.			trans	-54.6	126	173	-24.1	33.1	0	0	0	111.1	M389 L390 N427 D460	M389-P425 WeakPolarHBondContact O-CD 3.38Å; L390-P425 HydrophobicContact CD2-CG 3.59Å; P425-N427 VanDerWaalsContact C-N 3.31Å; P425-N427 PolarHBondContact O-N 3.47Å; P425-D460 HydrophobicContact CB-CB 4.3Å; P425-D460 HydrophobicContact CG-CB 4.14Å
426	F	68.9	Low	83.8	Confident	161 Å²	161	70.6 Å²	70.6	71%	0.706	33%	0.334	S	S	*	.	S	Bend	trans	-72.3	-19.5	-171.3	-77.1	-82.9	0	0	0	114.5	K423 R424	K423-F426 HydrophobicContact CD-CE2 3.74Å; K423-F426 HydrophobicContact CD-CZ 3.8Å; R424-F426 PolarHBondContact O-N 3.06Å
427	N	60.7	Low	83.9	Confident	90 Å²	90	67 Å²	67	48%	0.481	31%	0.313	S	S	.	.			trans	-122.7	91.6	-162	-144	-4.6	0	0	0	111.8	P425 L429	P425-N427 VanDerWaalsContact C-N 3.31Å; P425-N427 PolarHBondContact O-N 3.47Å; N427-L429 PolarHBondContact O-N 3.14Å; N427-L429 WeakPolarHBondContact OD1-CD1 3.42Å; N427-L429 WeakPolarHBondContact OD1-CG 3.34Å
428	K	58.9	Low	84.3	Confident	139 Å²	139	65.3 Å²	65.3	60%	0.604	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	12.4	177.1	-66.3	-163.8	174.7	-154.6	0	114.6	R430	K428-R430 PolarHBondContact O-N 3.05Å; K428-R430 VanDerWaalsContact O-N 3.08Å
429	L	52.2	Low	84.6	Confident	155 Å²	155	58.4 Å²	58.4	81%	0.812	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.8	-175.2	-74.9	170	0	0	0	112.9	N427	N427-L429 PolarHBondContact O-N 3.14Å; N427-L429 WeakPolarHBondContact OD1-CD1 3.42Å; N427-L429 WeakPolarHBondContact OD1-CG 3.34Å
430	R	62.1	Low	84.8	Confident	123 Å²	123	54 Å²	54	46%	0.464	25%	0.252	S	S	.	.	S	Bend	trans	-141.6	120.6	171.4	-164.7	171.4	178.6	178	-2.1	108.1	D151 K428 L432	D151-R430 IonicContact OD1-CZ 3.46Å; D151-R430 IonicContact OD1-NH1 3.23Å; D151-R430 PolarHBondContact OD1-NH1 3.09Å; D151-R430 IonicContact OD2-NH1 3.97Å; D151-R430 PolarHBondContact OD2-NH1 2.89Å; K428-R430 PolarHBondContact O-N 3.05Å; K428-R430 VanDerWaalsContact O-N 3.08Å; R430-L432 PolarHBondContact O-N 3.34Å
431	E	77.9	Confident	84.8	Confident	124 Å²	124	54 Å²	54	58%	0.579	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-60.9	120.3	170.3	-61.8	-173.2	163.9	0	0	107.3	D393	D393-E431 HydrophobicContact CB-CB 4.49Å; D393-E431 HydrophobicContact CB-CG 4.29Å; D393-E431 WeakPolarHBondContact OD2-CA 3.42Å; D393-E431 VanDerWaalsContact OD2-CB 3.27Å; D393-E431 WeakPolarHBondContact OD2-CB 3.19Å; D393-E431 VanDerWaalsContact OD2-CG 3.32Å; D393-E431 WeakPolarHBondContact OD2-CG 3.38Å
432	L	88	Confident	84.9	Confident	54 Å²	54	52.5 Å²	52.5	28%	0.283	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-103	139.3	179.5	-76.2	172.5	0	0	0	108.9	L150 R430 R461	L150-L432 HydrophobicContact CD1-CD2 4.33Å; L150-L432 HydrophobicContact CD2-CD2 4.09Å; R430-L432 PolarHBondContact O-N 3.34Å; L432-R461 HydrophobicContact CD1-CB 3.81Å
433	P	91.7	Very high	85	Confident	9 Å²	9	52.1 Å²	52.1	6%	0.058	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-65.9	158.5	172.1	30.2	-34.4	0	0	0	109.9	Y142	Y142-P433 HydrophobicContact CD1-CB 3.91Å; Y142-P433 HydrophobicContact CD2-CB 3.62Å; Y142-P433 HydrophobicContact CE1-CB 3.98Å; Y142-P433 HydrophobicContact CE2-CB 3.66Å; Y142-P433 HydrophobicContact CG-CB 3.73Å
434	L	94.4	Very high	85.2	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-56.1	153.9	168.6	-71.6	176.2	0	0	0	110.7	Y142 Q147 L390 D392 M440 Q441 L444 V455	Y142-L434 HydrophobicContact CE2-CB 4.14Å; Y142-L434 PolarHBondContact OH-N 3.33Å; Q147-L434 PolarHBondContact NE2-O 3.08Å; Q147-L434 PolarHBondContact OE1-O 2.82Å; L390-L434 HydrophobicContact CB-CD2 4.2Å; D392-L434 HydrophobicContact CB-CD1 4.19Å; D392-L434 HydrophobicContact CB-CG 4.31Å; L434-M440 HydrophobicContact CD1-CB 4Å; L434-M440 HydrophobicContact CD1-CG 3.88Å; L434-Q441 HydrophobicContact CB-CG 4.19Å; L434-Q441 PolarHBondContact O-NE2 3.07Å; L434-L444 HydrophobicContact CD1-CD1 3.86Å; L434-V455 HydrophobicContact CD1-CG2 4.5Å; L434-V455 HydrophobicContact CD2-CG2 3.94Å
435	P	94.9	Very high	85.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.013	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-55.4	141.4	177.8	-24.5	35	0	0	0	111	W154 L390 I437 S438 Q441 Y459 F464	W154-P435 HydrophobicContact CH2-CB 4.08Å; W154-P435 HydrophobicContact CH2-CG 4.05Å; W154-P435 HydrophobicContact CZ3-CB 4.03Å; W154-P435 HydrophobicContact CZ3-CG 4.19Å; L390-P435 HydrophobicContact CD1-CG 3.74Å; P435-I437 HydrophobicContact CB-CG1 4.11Å; P435-I437 PolarHBondContact O-N 3.14Å; P435-S438 VanDerWaalsContact O-CB 3.26Å; P435-S438 WeakPolarHBondContact O-CB 3.44Å; P435-S438 PolarHBondContact O-N 3.18Å; P435-Q441 VanDerWaalsContact C-NE2 3.33Å; P435-Q441 PolarHBondContact O-NE2 3.36Å; P435-Y459 HydrophobicContact CB-CE2 4.15Å; P435-Y459 WeakPolarHBondContact CB-OH 3.31Å; P435-Y459 HydrophobicContact CG-CE2 3.74Å; P435-F464 HydrophobicContact CB-CE1 4.3Å
436	P	94.9	Very high	85.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-1.5	-174.3	29	-36.1	0	0	0	113.7	P135 N136 Q147 W154 F338 F464	P135-P436 VanDerWaalsContact O-CB 3.3Å; P135-P436 WeakPolarHBondContact O-CB 3.2Å; N136-P436 WeakPolarHBondContact CB-O 3.33Å; Q147-P436 HydrophobicContact CG-CB 4.16Å; W154-P436 HydrophobicContact CB-CG 3.96Å; W154-P436 HydrophobicContact CD2-CG 3.95Å; W154-P436 VanDerWaalsContact CE2-CD 3.42Å; W154-P436 HydrophobicContact CG-CG 3.59Å; F338-P436 WeakPolarHBondContact CZ-O 3.25Å; P436-F464 HydrophobicContact CG-CZ 3.91Å
437	I	94.9	Very high	86.9	Confident	6 Å²	6	45 Å²	45	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-5	177.4	60.3	168	0	0	0	112.5	P135 E374 P435 S439 F464 F469	P135-I437 HydrophobicContact CB-CG2 4.14Å; P135-I437 HydrophobicContact CG-CG2 4.38Å; E374-I437 HydrophobicContact CG-CD1 3.61Å; P435-I437 HydrophobicContact CB-CG1 4.11Å; P435-I437 PolarHBondContact O-N 3.14Å; I437-S439 PolarHBondContact O-N 2.76Å; I437-F464 HydrophobicContact CD1-CE1 4.05Å; I437-F464 HydrophobicContact CD1-CZ 4Å; I437-F464 HydrophobicContact CG1-CE1 4.23Å; I437-F464 HydrophobicContact CG1-CZ 3.99Å; I437-F464 HydrophobicContact CG2-CE2 4.21Å; I437-F464 HydrophobicContact CG2-CZ 3.89Å; I437-F469 HydrophobicContact CD1-CE2 4.26Å; I437-F469 HydrophobicContact CG2-CE2 4.05Å; I437-F469 HydrophobicContact CG2-CZ 3.59Å
438	S	96.1	Very high	88.5	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.021	23%	0.227	C	C	.	.			trans	-76	117.4	-177.5	172.4	0	0	0	0	109.7	F338 E371 P435 M440 Q441 V455	F338-S438 WeakPolarHBondContact CE1-O 3.36Å; E371-S438 WeakPolarHBondContact OE1-CA 3.28Å; E371-S438 WeakPolarHBondContact OE2-CB 3.48Å; E371-S438 PolarHBondContact OE2-OG 3.24Å; P435-S438 VanDerWaalsContact O-CB 3.26Å; P435-S438 WeakPolarHBondContact O-CB 3.44Å; P435-S438 PolarHBondContact O-N 3.18Å; S438-M440 PolarHBondContact O-N 2.84Å; S438-M440 VanDerWaalsContact O-N 3.11Å; S438-M440 VanDerWaalsContact OG-CB 3.24Å; S438-M440 WeakPolarHBondContact OG-CB 3.22Å; S438-M440 PolarHBondContact OG-N 2.83Å; S438-Q441 WeakPolarHBondContact O-CB 3.16Å; S438-Q441 WeakPolarHBondContact O-CG 3.46Å; S438-Q441 PolarHBondContact O-N 3.01Å; S438-Q441 VanDerWaalsContact O-N 3.09Å; S438-V455 WeakPolarHBondContact OG-CG2 3.4Å
439	S	97.3	Very high	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.3	173.7	-37.2	0	0	0	0	111.3	E334 E371 I437 Q441 T442 L443	E334-S439 WeakPolarHBondContact OE2-CA 3.19Å; E334-S439 WeakPolarHBondContact OE2-CB 3.33Å; E334-S439 PolarHBondContact OE2-OG 3.36Å; E371-S439 VanDerWaalsContact OE1-CB 3.28Å; E371-S439 WeakPolarHBondContact OE1-CB 3.32Å; E371-S439 PolarHBondContact OE1-N 2.79Å; E371-S439 PolarHBondContact OE1-OG 2.75Å; E371-S439 PolarHBondContact OE2-N 2.89Å; E371-S439 VanDerWaalsContact OE2-N 3.13Å; I437-S439 PolarHBondContact O-N 2.76Å; S439-Q441 PolarHBondContact O-N 2.74Å; S439-Q441 VanDerWaalsContact O-N 3.17Å; S439-T442 PolarHBondContact O-N 3.23Å; S439-L443 PolarHBondContact O-N 3.17Å
440	M	96.4	Very high	92.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.3	-30.9	177.3	-166	75	-80.7	0	0	113.4	I369 E371 L434 S438 T442 L443 L444 L451 H453 V455	I369-M440 HydrophobicContact CB-CE 4.18Å; I369-M440 HydrophobicContact CB-SD 4.06Å; I369-M440 HydrophobicContact CD1-CE 4.04Å; I369-M440 HydrophobicContact CG2-CE 4.24Å; I369-M440 HydrophobicContact CG2-SD 4.11Å; E371-M440 WeakPolarHBondContact OE2-CB 3.48Å; E371-M440 PolarHBondContact OE2-N 3.22Å; L434-M440 HydrophobicContact CD1-CB 4Å; L434-M440 HydrophobicContact CD1-CG 3.88Å; S438-M440 PolarHBondContact O-N 2.84Å; S438-M440 VanDerWaalsContact O-N 3.11Å; S438-M440 VanDerWaalsContact OG-CB 3.24Å; S438-M440 WeakPolarHBondContact OG-CB 3.22Å; S438-M440 PolarHBondContact OG-N 2.83Å; M440-T442 PolarHBondContact O-N 2.94Å; M440-L443 HydrophobicContact CE-CB 3.26Å; M440-L443 HydrophobicContact CE-CD1 3.71Å; M440-L443 HydrophobicContact CE-CG 4.05Å; M440-L443 PolarHBondContact O-N 2.96Å; M440-L444 HydrophobicContact CE-CG 4.4Å; M440-L444 HydrophobicContact CG-CD1 3.99Å; M440-L444 HydrophobicContact CG-CG 4.08Å; M440-L444 WeakPolarHBondContact O-CB 3.46Å; M440-L444 VanDerWaalsContact O-CG 3.26Å; M440-L444 WeakPolarHBondContact O-CG 3.42Å; M440-L444 PolarHBondContact O-N 3.13Å; M440-L451 HydrophobicContact CE-CD2 3.61Å; M440-H453 HydrophobicContact CE-CB 4.5Å; M440-H453 HydrophobicContact CG-CB 4.07Å; M440-H453 HydrophobicContact SD-CB 3.17Å; M440-H453 WeakPolarHBondContact SD-CB 3.42Å; M440-H453 VanDerWaalsContact SD-CG 3.54Å; M440-V455 HydrophobicContact CB-CG2 4.2Å
441	Q	95.3	Very high	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.1	-52	178.5	-65.9	-157.8	29.3	0	0	111.9	S140 A141 Y142 F338 L434 P435 S438 S439 L443 L444 Q445	S140-Q441 PolarHBondContact OG-OE1 3.45Å; A141-Q441 HydrophobicContact CB-CB 3.76Å; A141-Q441 HydrophobicContact CB-CG 4.23Å; Y142-Q441 HydrophobicContact CE2-CG 4.11Å; F338-Q441 HydrophobicContact CZ-CB 4.5Å; L434-Q441 HydrophobicContact CB-CG 4.19Å; L434-Q441 PolarHBondContact O-NE2 3.07Å; P435-Q441 VanDerWaalsContact C-NE2 3.33Å; P435-Q441 PolarHBondContact O-NE2 3.36Å; S438-Q441 WeakPolarHBondContact O-CB 3.16Å; S438-Q441 WeakPolarHBondContact O-CG 3.46Å; S438-Q441 PolarHBondContact O-N 3.01Å; S438-Q441 VanDerWaalsContact O-N 3.09Å; S439-Q441 PolarHBondContact O-N 2.74Å; S439-Q441 VanDerWaalsContact O-N 3.17Å; Q441-L443 VanDerWaalsContact C-N 3.29Å; Q441-L443 PolarHBondContact O-N 3.02Å; Q441-L444 PolarHBondContact O-N 3.41Å; Q441-Q445 PolarHBondContact O-N 3.18Å; Q441-Q445 VanDerWaalsContact O-N 3.1Å
442	T	95.2	Very high	94.7	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-38	178.9	-54.1	0	0	0	0	111.9	F338 S341 S342 S439 M440 Q445 N446	F338-T442 HydrophobicContact CB-CG2 4.4Å; F338-T442 WeakPolarHBondContact CB-OG1 3.09Å; F338-T442 WeakPolarHBondContact CD2-OG1 3.4Å; F338-T442 WeakPolarHBondContact CG-OG1 3.37Å; S341-T442 WeakPolarHBondContact OG-CB 3.24Å; S341-T442 PolarHBondContact OG-OG1 2.84Å; S342-T442 WeakPolarHBondContact OG-CG2 3.31Å; S439-T442 PolarHBondContact O-N 3.23Å; M440-T442 PolarHBondContact O-N 2.94Å; T442-Q445 PolarHBondContact O-N 2.94Å; T442-N446 WeakPolarHBondContact CG2-ND2 3.08Å; T442-N446 PolarHBondContact O-N 2.03Å; T442-N446 VanDerWaalsContact O-N 3.13Å; T442-N446 PolarHBondContact O-ND2 2.84Å
443	L	96.6	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.8	-36.2	179.8	-61.9	-179.5	0	0	0	112	L278 F344 W363 I369 S439 M440 Q441 S447	L278-L443 HydrophobicContact CD2-CD1 3.71Å; F344-L443 HydrophobicContact CD1-CD1 4.24Å; F344-L443 HydrophobicContact CD1-CD2 3.63Å; F344-L443 HydrophobicContact CE1-CD1 4.3Å; F344-L443 HydrophobicContact CE1-CD2 4.25Å; W363-L443 HydrophobicContact CH2-CB 4.36Å; W363-L443 HydrophobicContact CH2-CD2 4.18Å; I369-L443 HydrophobicContact CD1-CD1 3.88Å; S439-L443 PolarHBondContact O-N 3.17Å; M440-L443 HydrophobicContact CE-CB 3.26Å; M440-L443 HydrophobicContact CE-CD1 3.71Å; M440-L443 HydrophobicContact CE-CG 4.05Å; M440-L443 PolarHBondContact O-N 2.96Å; Q441-L443 VanDerWaalsContact C-N 3.29Å; Q441-L443 PolarHBondContact O-N 3.02Å; L443-S447 WeakPolarHBondContact O-CB 3.47Å; L443-S447 PolarHBondContact O-N 2.8Å
444	L	95.2	Very high	95.4	Very high	33 Å²	33	23.6 Å²	23.6	17%	0.173	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-38.5	173.6	-70.9	172.4	0	0	0	112.2	D392 T395 L434 M440 Q441 L451	D392-L444 HydrophobicContact CB-CD1 3.84Å; T395-L444 HydrophobicContact CG2-CD2 3.92Å; L434-L444 HydrophobicContact CD1-CD1 3.86Å; M440-L444 HydrophobicContact CE-CG 4.4Å; M440-L444 HydrophobicContact CG-CD1 3.99Å; M440-L444 HydrophobicContact CG-CG 4.08Å; M440-L444 WeakPolarHBondContact O-CB 3.46Å; M440-L444 VanDerWaalsContact O-CG 3.26Å; M440-L444 WeakPolarHBondContact O-CG 3.42Å; M440-L444 PolarHBondContact O-N 3.13Å; Q441-L444 PolarHBondContact O-N 3.41Å; L444-L451 HydrophobicContact CD2-CB 4.14Å
445	Q	93.7	Very high	95.5	Very high	103 Å²	103	23.6 Å²	23.6	48%	0.481	13%	0.129	S	C	.	.	H	α-helix	trans	-64.9	-40.8	176.4	-74.9	-179.7	-41.7	0	0	113	S140 A141 Q441 T442	S140-Q445 PolarHBondContact O-NE2 3.1Å; A141-Q445 VanDerWaalsContact CA-NE2 3.27Å; A141-Q445 HydrophobicContact CB-CG 3.84Å; Q441-Q445 PolarHBondContact O-N 3.18Å; Q441-Q445 VanDerWaalsContact O-N 3.1Å; T442-Q445 PolarHBondContact O-N 2.94Å
446	N	93.5	Very high	95.7	Very high	79 Å²	79	23.5 Å²	23.5	42%	0.422	13%	0.128	S	C	.	.	H	α-helix	trans	-93.5	-14.4	-172.8	-67.7	-60.4	0	0	0	113.9	S345 T442	S345-N446 WeakPolarHBondContact OG-CB 3.04Å; T442-N446 WeakPolarHBondContact CG2-ND2 3.08Å; T442-N446 PolarHBondContact O-N 2.03Å; T442-N446 VanDerWaalsContact O-N 3.13Å; T442-N446 PolarHBondContact O-ND2 2.84Å
447	S	94.9	Very high	95.7	Very high	17 Å²	17	23.5 Å²	23.5	12%	0.119	13%	0.128	C	C	.	.			trans	-65	131.8	178.5	178	0	0	0	0	110.5	L443 R449	L443-S447 WeakPolarHBondContact O-CB 3.47Å; L443-S447 PolarHBondContact O-N 2.8Å; S447-R449 WeakPolarHBondContact CB-O 3.3Å; S447-R449 PolarHBondContact O-N 2.93Å; S447-R449 VanDerWaalsContact O-N 3.15Å; S447-R449 PolarHBondContact OG-N 2.64Å; S447-R449 PolarHBondContact OG-O 2.82Å
448	P	95.4	Very high	95.8	Very high	101 Å²	101	23.4 Å²	23.4	66%	0.656	13%	0.128	S	C	*	.	S	Bend	trans	-71.7	-5.8	177.6	30.3	-35.5	0	0	0	113.2	W363	W363-P448 HydrophobicContact CB-CG 3.83Å; W363-P448 HydrophobicContact CG-CG 4.03Å
449	R	93.8	Very high	95.6	Very high	70 Å²	70	23.7 Å²	23.7	26%	0.264	13%	0.128	S	C	.	.	S	Bend	trans	-146.8	159.9	-177.1	64.3	-176.9	179.4	114.3	-8.6	111.9	N272 W363 S364 V366 S447 L451	N272-R449 PolarHBondContact OD1-NH1 3.33Å; N272-R449 PolarHBondContact OD1-NH2 2.93Å; N272-R449 VanDerWaalsContact OD1-NH2 3.16Å; W363-R449 PolarHBondContact O-NE 3.29Å; W363-R449 PolarHBondContact O-NH2 3.39Å; S364-R449 PolarHBondContact O-NH2 3.29Å; S364-R449 VanDerWaalsContact O-NH2 3.16Å; V366-R449 PolarHBondContact O-NH2 2.74Å; S447-R449 WeakPolarHBondContact CB-O 3.3Å; S447-R449 PolarHBondContact O-N 2.93Å; S447-R449 VanDerWaalsContact O-N 3.15Å; S447-R449 PolarHBondContact OG-N 2.64Å; S447-R449 PolarHBondContact OG-O 2.82Å; R449-L451 PolarHBondContact O-N 2.82Å
450	P	94.1	Very high	95.3	Very high	69 Å²	69	25.5 Å²	25.5	45%	0.448	14%	0.138	S	C	.	.			trans	-55.2	126.9	171	-23.6	33.8	0	0	0	110.9	V398 T399	V398-P450 HydrophobicContact CB-CB 4.25Å; V398-P450 HydrophobicContact CB-CG 4.44Å; V398-P450 HydrophobicContact CG1-CB 3.84Å; V398-P450 HydrophobicContact CG1-CG 3.69Å; T399-P450 HydrophobicContact CG2-CB 3.67Å
451	L	94.9	Very high	95.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.			trans	-112.6	112.3	-170.6	-179	63.7	0	0	0	110.2	W363 V366 I369 T395 M440 L444 R449 H453	W363-L451 HydrophobicContact CZ3-CD2 3.88Å; V366-L451 HydrophobicContact CB-CD1 4.31Å; V366-L451 HydrophobicContact CG1-CD1 3.71Å; I369-L451 HydrophobicContact CD1-CD2 3.77Å; I369-L451 HydrophobicContact CG1-CD1 4.28Å; I369-L451 HydrophobicContact CG1-CD2 4.12Å; I369-L451 HydrophobicContact CG1-CG 4.38Å; T395-L451 VanDerWaalsContact CG2-O 3.3Å; T395-L451 WeakPolarHBondContact CG2-O 3.28Å; M440-L451 HydrophobicContact CE-CD2 3.61Å; L444-L451 HydrophobicContact CD2-CB 4.14Å; R449-L451 PolarHBondContact O-N 2.82Å; L451-H453 PolarHBondContact O-N 3.39Å; L451-H453 PolarHBondContact O-ND1 3.39Å
452	P	97.1	Very high	94.9	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.026	16%	0.16	C	C	.	.			trans	-60.3	130.4	174.7	-19.3	30.7	0	0	0	110.1	Y367 A368 I369 T399 F402	Y367-P452 WeakPolarHBondContact O-CD 3.48Å; Y367-P452 VanDerWaalsContact O-CG 3.27Å; Y367-P452 WeakPolarHBondContact O-CG 3.32Å; A368-P452 CarbonylContact C-O 3.53Å; A368-P452 WeakPolarHBondContact CA-O 3.48Å; A368-P452 HydrophobicContact CB-CB 4.04Å; A368-P452 WeakPolarHBondContact CB-O 3.12Å; I369-P452 PolarHBondContact N-O 3.35Å; T399-P452 HydrophobicContact CG2-CG 3.97Å; F402-P452 HydrophobicContact CB-CB 3.8Å; F402-P452 HydrophobicContact CB-CG 3.61Å; F402-P452 HydrophobicContact CD2-CG 4.42Å; F402-P452 HydrophobicContact CG-CG 4.09Å
453	H	97.4	Very high	94.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	162.8	-178.7	63.5	-83	0	0	0	113.5	I369 T391 D392 T403 M440 L451	I369-H453 CarbonylContact O-C 3.54Å; I369-H453 WeakPolarHBondContact O-CA 3.26Å; I369-H453 WeakPolarHBondContact O-CB 3.31Å; T391-H453 VanDerWaalsContact CG2-O 3.28Å; T391-H453 WeakPolarHBondContact CG2-O 3.34Å; D392-H453 PolarHBondContact N-NE2 2.91Å; T403-H453 WeakPolarHBondContact CG2-O 2.86Å; M440-H453 HydrophobicContact CE-CB 4.5Å; M440-H453 HydrophobicContact CG-CB 4.07Å; M440-H453 HydrophobicContact SD-CB 3.17Å; M440-H453 WeakPolarHBondContact SD-CB 3.42Å; M440-H453 VanDerWaalsContact SD-CG 3.54Å; L451-H453 PolarHBondContact O-N 3.39Å; L451-H453 PolarHBondContact O-ND1 3.39Å
454	V	97.4	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	128	170.4	-179.5	0	0	0	0	109	I369 I370 E371 M389 T403 I406 F407 L410 L456	I369-V454 PolarHBondContact O-N 3.24Å; I370-V454 CarbonylContact C-O 3.57Å; I370-V454 VanDerWaalsContact CA-O 3.27Å; I370-V454 WeakPolarHBondContact CA-O 3.27Å; E371-V454 PolarHBondContact N-O 2.93Å; M389-V454 HydrophobicContact CB-CG1 3.76Å; M389-V454 HydrophobicContact CG-CG1 3.94Å; T403-V454 HydrophobicContact CG2-CG2 4.23Å; I406-V454 HydrophobicContact CB-CG2 4.28Å; I406-V454 HydrophobicContact CG2-CG2 3.67Å; F407-V454 HydrophobicContact CD1-CG2 3.89Å; F407-V454 HydrophobicContact CE1-CB 4.4Å; F407-V454 HydrophobicContact CE1-CG1 4.03Å; F407-V454 HydrophobicContact CE1-CG2 3.5Å; F407-V454 HydrophobicContact CZ-CG2 4.41Å; L410-V454 HydrophobicContact CD1-CG1 4.39Å; V454-L456 HydrophobicContact CG1-CD2 3.89Å; V454-L456 HydrophobicContact CG1-CG 4.38Å
455	V	97.6	Very high	94.7	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.7	169.3	-176.2	0	0	0	0	108.3	E371 L390 L434 S438 M440	E371-V455 HydrophobicContact CB-CG1 4.35Å; E371-V455 HydrophobicContact CB-CG2 4.21Å; E371-V455 HydrophobicContact CG-CG1 4.26Å; E371-V455 CarbonylContact O-C 3.58Å; E371-V455 WeakPolarHBondContact O-CA 3.27Å; L390-V455 HydrophobicContact CB-CB 4.2Å; L390-V455 PolarHBondContact N-O 2.9Å; L390-V455 PolarHBondContact O-N 2.68Å; L434-V455 HydrophobicContact CD1-CG2 4.5Å; L434-V455 HydrophobicContact CD2-CG2 3.94Å; S438-V455 WeakPolarHBondContact OG-CG2 3.4Å; M440-V455 HydrophobicContact CB-CG2 4.2Å
456	L	97.8	Very high	94.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.1	177.6	-61.5	178.6	0	0	0	109.7	I370 E371 L372 G373 F388 M389 L410 L422 V454 F492 L496	I370-L456 HydrophobicContact CG2-CD1 3.85Å; I370-L456 HydrophobicContact CG2-CG 4.19Å; E371-L456 PolarHBondContact O-N 3.21Å; L372-L456 HydrophobicContact CD2-CB 3.85Å; L372-L456 HydrophobicContact CD2-CD1 3.63Å; L372-L456 HydrophobicContact CD2-CG 4.19Å; G373-L456 PolarHBondContact N-O 2.82Å; F388-L456 WeakPolarHBondContact O-CA 3.49Å; M389-L456 HydrophobicContact CB-CD2 4.42Å; M389-L456 HydrophobicContact CG-CD2 3.56Å; L410-L456 HydrophobicContact CD1-CD2 4.37Å; L422-L456 HydrophobicContact CD2-CD2 4.31Å; V454-L456 HydrophobicContact CG1-CD2 3.89Å; V454-L456 HydrophobicContact CG1-CG 4.38Å; L456-F492 HydrophobicContact CB-CZ 4.19Å; L456-F492 HydrophobicContact CD1-CZ 4.04Å; L456-L496 HydrophobicContact CD1-CD1 3.84Å
457	S	96.2	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.5	-176	55.6	0	0	0	0	112.8	G373 F387 F388 L390 Y459	G373-S457 WeakPolarHBondContact O-CA 3.49Å; G373-S457 WeakPolarHBondContact O-CB 3.4Å; F387-S457 CarbonylContact C-O 3.46Å; F387-S457 WeakPolarHBondContact CA-O 3.4Å; F388-S457 PolarHBondContact N-O 2.79Å; F388-S457 PolarHBondContact O-N 3.29Å; L390-S457 VanDerWaalsContact CD1-OG 3.3Å; L390-S457 WeakPolarHBondContact CD1-OG 3.25Å; S457-Y459 VanDerWaalsContact C-N 3.33Å; S457-Y459 PolarHBondContact OG-O 3.4Å
458	D	95.4	Very high	94.7	Very high	5 Å²	5	30 Å²	30	3%	0.027	15%	0.154	C	C	.	.	S	Bend	trans	-83.6	-4.7	174.5	66.9	17.9	0	0	0	114.7	E374 G376 L377 F387 L465	E374-D458 WeakPolarHBondContact O-CB 3.41Å; E374-D458 PolarHBondContact O-N 2.85Å; G376-D458 PolarHBondContact N-OD2 2.86Å; L377-D458 VanDerWaalsContact CA-OD2 3.28Å; L377-D458 WeakPolarHBondContact CA-OD2 3.25Å; L377-D458 WeakPolarHBondContact CB-OD2 3.24Å; L377-D458 PolarHBondContact N-OD2 2.96Å; F387-D458 HydrophobicContact CD1-CB 4.26Å; F387-D458 HydrophobicContact CE1-CB 4.3Å; D458-L465 HydrophobicContact CB-CD1 4.3Å; D458-L465 WeakPolarHBondContact O-CD1 3.31Å
459	Y	93.2	Very high	94.7	Very high	8 Å²	8	25.2 Å²	25.2	3%	0.031	12%	0.123	C	C	.	.			trans	-125.7	156	172.9	59.3	-94.2	0	0	0	112.2	W154 E374 F388 P435 S457 F464	W154-Y459 HydrophobicContact CZ3-CD2 4.26Å; W154-Y459 AromaticContact CZ3-CE2 3.74Å; W154-Y459 HydrophobicContact CZ3-CE2 3.74Å; E374-Y459 HydrophobicContact CB-CD1 4.36Å; E374-Y459 HydrophobicContact CB-CE1 3.63Å; E374-Y459 HydrophobicContact CG-CE1 3.91Å; F388-Y459 WeakPolarHBondContact CD2-O 3.34Å; P435-Y459 HydrophobicContact CB-CE2 4.15Å; P435-Y459 WeakPolarHBondContact CB-OH 3.31Å; P435-Y459 HydrophobicContact CG-CE2 3.74Å; S457-Y459 VanDerWaalsContact C-N 3.33Å; S457-Y459 PolarHBondContact OG-O 3.4Å; Y459-F464 HydrophobicContact CD1-CD1 4.36Å; Y459-F464 AromaticContact CE1-CD1 3.67Å; Y459-F464 HydrophobicContact CE1-CD1 3.67Å; Y459-F464 HydrophobicContact CE1-CE1 4.22Å; Y459-F464 HydrophobicContact CE2-CD1 4.03Å; Y459-F464 HydrophobicContact CE2-CE1 4.11Å; Y459-F464 AromaticContact CZ-CD1 3.51Å; Y459-F464 AromaticContact CZ-CE1 3.63Å; Y459-F464 VanDerWaalsContact OH-CE1 3.26Å; Y459-F464 WeakPolarHBondContact OH-CE1 2.96Å
460	D	90.8	Very high	94.8	Very high	38 Å²	38	22 Å²	22	20%	0.203	11%	0.111	C	C	.	.	S	Bend	trans	-104	-14.6	176.1	70.4	-36.1	0	0	0	114.5	F388 P425	F388-D460 HydrophobicContact CB-CB 4.22Å; F388-D460 HydrophobicContact CD1-CB 3.53Å; F388-D460 HydrophobicContact CD2-CB 3.86Å; F388-D460 HydrophobicContact CE1-CB 3.62Å; F388-D460 HydrophobicContact CE2-CB 3.94Å; F388-D460 HydrophobicContact CG-CB 3.6Å; F388-D460 HydrophobicContact CZ-CB 3.77Å; P425-D460 HydrophobicContact CB-CB 4.3Å; P425-D460 HydrophobicContact CG-CB 4.14Å
461	R	90.9	Very high	94.8	Very high	100 Å²	100	18.8 Å²	18.8	38%	0.377	9%	0.09	S	C	.	.	S	Bend	trans	-160.8	167.4	-172.8	69.4	-171.5	70.1	-148.8	-7.2	110.5	L432	L432-R461 HydrophobicContact CD1-CB 3.81Å
462	P	92.4	Very high	94.7	Very high	12 Å²	12	19.2 Å²	19.2	8%	0.078	9%	0.092	C	C	.	.	S	Bend	trans	-56.5	145.5	169.5	-19.5	27.8	0	0	0	112.8	L150 T152 W154	L150-P462 HydrophobicContact CD1-CG 3.72Å; T152-P462 HydrophobicContact CG2-CB 4.27Å; T152-P462 VanDerWaalsContact O-CB 3.25Å; T152-P462 WeakPolarHBondContact O-CB 3.5Å; W154-P462 HydrophobicContact CD2-CB 4.14Å; W154-P462 HydrophobicContact CD2-CG 3.63Å; W154-P462 HydrophobicContact CE3-CB 4.05Å; W154-P462 HydrophobicContact CE3-CG 3.72Å; W154-P462 HydrophobicContact CG-CG 4.25Å; W154-P462 HydrophobicContact CH2-CG 3.91Å; W154-P462 HydrophobicContact CZ2-CG 3.81Å; W154-P462 HydrophobicContact CZ3-CB 4.45Å; W154-P462 HydrophobicContact CZ3-CG 3.85Å
463	P	94.5	Very high	94.5	Very high	52 Å²	52	19.7 Å²	19.7	34%	0.338	9%	0.094	S	C	.	.	S	Bend	cis	-89	166.2	1.6	36.8	-33.1	0	0	0	112.5	T152 Q153 W154 P156	T152-P463 HydrophobicContact CG2-CB 4.39Å; T152-P463 HydrophobicContact CG2-CG 4.4Å; Q153-P463 WeakPolarHBondContact O-CB 3.46Å; W154-P463 CarbonylContact O-C 3.57Å; W154-P463 WeakPolarHBondContact O-CA 3.34Å; P156-P463 HydrophobicContact CG-CB 3.83Å
464	F	94.7	Very high	94.3	Very high	12 Å²	12	19.6 Å²	19.6	5%	0.053	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-54.6	144.3	164.5	-59.4	-38.8	0	0	0	110.7	P135 W154 N155 P435 P436 I437 Y459 N466 F469	P135-F464 HydrophobicContact CG-CE2 4.38Å; W154-F464 HydrophobicContact CB-CE2 4.15Å; W154-F464 HydrophobicContact CB-CZ 4.1Å; W154-F464 HydrophobicContact CD2-CE1 4.33Å; W154-F464 HydrophobicContact CD2-CZ 4.48Å; W154-F464 HydrophobicContact CE3-CD1 4Å; W154-F464 AromaticContact CE3-CE1 3.49Å; W154-F464 HydrophobicContact CE3-CE1 3.49Å; W154-F464 VanDerWaalsContact CE3-CE1 3.49Å; W154-F464 HydrophobicContact CE3-CZ 4.05Å; W154-F464 HydrophobicContact CZ3-CE1 4.08Å; W154-F464 PolarHBondContact O-N 3.21Å; N155-F464 HydrophobicContact CB-CD2 4.17Å; N155-F464 HydrophobicContact CB-CE2 4.39Å; P435-F464 HydrophobicContact CB-CE1 4.3Å; P436-F464 HydrophobicContact CG-CZ 3.91Å; I437-F464 HydrophobicContact CD1-CE1 4.05Å; I437-F464 HydrophobicContact CD1-CZ 4Å; I437-F464 HydrophobicContact CG1-CE1 4.23Å; I437-F464 HydrophobicContact CG1-CZ 3.99Å; I437-F464 HydrophobicContact CG2-CE2 4.21Å; I437-F464 HydrophobicContact CG2-CZ 3.89Å; Y459-F464 HydrophobicContact CD1-CD1 4.36Å; Y459-F464 AromaticContact CE1-CD1 3.67Å; Y459-F464 HydrophobicContact CE1-CD1 3.67Å; Y459-F464 HydrophobicContact CE1-CE1 4.22Å; Y459-F464 HydrophobicContact CE2-CD1 4.03Å; Y459-F464 HydrophobicContact CE2-CE1 4.11Å; Y459-F464 AromaticContact CZ-CD1 3.51Å; Y459-F464 AromaticContact CZ-CE1 3.63Å; Y459-F464 VanDerWaalsContact OH-CE1 3.26Å; Y459-F464 WeakPolarHBondContact OH-CE1 2.96Å; F464-N466 VanDerWaalsContact C-N 3.32Å; F464-F469 HydrophobicContact CD2-CD1 4.38Å; F464-F469 AromaticContact CD2-CD2 3.98Å; F464-F469 HydrophobicContact CD2-CD2 3.98Å; F464-F469 HydrophobicContact CD2-CE2 4.28Å; F464-F469 HydrophobicContact CD2-CG 4.05Å; F464-F469 HydrophobicContact CE2-CD1 4.48Å; F464-F469 HydrophobicContact CE2-CD2 4.3Å; F464-F469 HydrophobicContact CE2-CE1 4.34Å; F464-F469 HydrophobicContact CE2-CE2 4.14Å; F464-F469 HydrophobicContact CE2-CG 4.48Å; F464-F469 HydrophobicContact CE2-CZ 4.18Å
465	L	94.3	Very high	94	Very high	32 Å²	32	21.6 Å²	21.6	17%	0.168	11%	0.106	C	C	.	.	S	Bend	trans	-73.3	-29.1	178.8	-59.4	-170.9	0	0	0	112.2	L377 R379 D458 K467	L377-L465 HydrophobicContact CB-CB 3.86Å; L377-L465 HydrophobicContact CB-CD1 4.2Å; L377-L465 HydrophobicContact CD1-CB 4.01Å; L377-L465 VanDerWaalsContact O-CD1 3.27Å; L377-L465 WeakPolarHBondContact O-CD1 3.27Å; R379-L465 HydrophobicContact CG-CD1 4.39Å; D458-L465 HydrophobicContact CB-CD1 4.3Å; D458-L465 WeakPolarHBondContact O-CD1 3.31Å; L465-K467 PolarHBondContact O-N 2.03Å
466	N	94	Very high	93.7	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	12%	0.121	C	C	.	.			trans	-72.4	110.2	-179.8	-171.3	-8.6	0	0	0	111.3	L377 F464 H468 F469 D474	L377-N466 HydrophobicContact CD1-CB 3.71Å; F464-N466 VanDerWaalsContact C-N 3.32Å; N466-H468 PolarHBondContact O-N 3.24Å; N466-H468 VanDerWaalsContact OD1-C 3.3Å; N466-H468 WeakPolarHBondContact OD1-CA 3.37Å; N466-H468 PolarHBondContact OD1-N 2.8Å; N466-F469 HydrophobicContact CB-CB 4.41Å; N466-F469 PolarHBondContact O-N 2.86Å; N466-F469 PolarHBondContact OD1-N 2.86Å; N466-D474 PolarHBondContact ND2-OD2 3.39Å
467	K	93.2	Very high	93.5	Very high	112 Å²	112	25.8 Å²	25.8	49%	0.487	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.1	177.4	-61.6	175.3	-171.1	163.3	0	113.2	A127 F128 L465	A127-K467 HydrophobicContact CB-CB 4.07Å; A127-K467 HydrophobicContact CB-CG 4.47Å; F128-K467 CarbonylContact C-O 3.58Å; F128-K467 PolarHBondContact N-O 2.86Å; L465-K467 PolarHBondContact O-N 2.03Å
468	H	94.5	Very high	93.3	Very high	6 Å²	6	28 Å²	28	3%	0.028	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	26.7	-178.9	-58.7	-59.7	0	0	0	112	Y126 F128 N466 E470 S471 L473 D474	Y126-H468 PolarHBondContact O-CE1 2.88Å; F128-H468 WeakPolarHBondContact O-CA 3.33Å; N466-H468 PolarHBondContact O-N 3.24Å; N466-H468 VanDerWaalsContact OD1-C 3.3Å; N466-H468 WeakPolarHBondContact OD1-CA 3.37Å; N466-H468 PolarHBondContact OD1-N 2.8Å; H468-E470 PolarHBondContact O-N 2.86Å; H468-S471 WeakPolarHBondContact O-CB 2.75Å; H468-S471 PolarHBondContact O-N 3.36Å; H468-S471 VanDerWaalsContact O-N 3.11Å; H468-L473 HydrophobicContact CB-CB 4.27Å; H468-D474 HydrophobicContact CB-CB 3.87Å; H468-D474 WeakPolarHBondContact O-CB 3.42Å
469	F	95.5	Very high	93.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	124.3	178.9	176.2	-95.9	0	0	0	111.6	S129 P135 I437 F464 N466 S471	S129-F469 WeakPolarHBondContact CB-O 3.5Å; S129-F469 PolarHBondContact OG-O 3Å; P135-F469 HydrophobicContact CB-CE1 4.34Å; P135-F469 HydrophobicContact CG-CD1 4.46Å; P135-F469 HydrophobicContact CG-CE1 3.57Å; P135-F469 HydrophobicContact CG-CZ 4.11Å; I437-F469 HydrophobicContact CD1-CE2 4.26Å; I437-F469 HydrophobicContact CG2-CE2 4.05Å; I437-F469 HydrophobicContact CG2-CZ 3.59Å; F464-F469 HydrophobicContact CD2-CD1 4.38Å; F464-F469 AromaticContact CD2-CD2 3.98Å; F464-F469 HydrophobicContact CD2-CD2 3.98Å; F464-F469 HydrophobicContact CD2-CE2 4.28Å; F464-F469 HydrophobicContact CD2-CG 4.05Å; F464-F469 HydrophobicContact CE2-CD1 4.48Å; F464-F469 HydrophobicContact CE2-CD2 4.3Å; F464-F469 HydrophobicContact CE2-CE1 4.34Å; F464-F469 HydrophobicContact CE2-CE2 4.14Å; F464-F469 HydrophobicContact CE2-CG 4.48Å; F464-F469 HydrophobicContact CE2-CZ 4.18Å; N466-F469 HydrophobicContact CB-CB 4.41Å; N466-F469 PolarHBondContact O-N 2.86Å; N466-F469 PolarHBondContact OD1-N 2.86Å; F469-S471 VanDerWaalsContact C-N 3.34Å; F469-S471 PolarHBondContact O-N 2.81Å
470	E	95	Very high	92.7	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	57.1	-178.1	-72.1	-177.2	172	0	0	112.2	E130 S131 R280 R284 A335 H468	E130-E470 WeakPolarHBondContact CB-O 3.3Å; E130-E470 PolarHBondContact N-O 2.69Å; S131-E470 VanDerWaalsContact CB-OE2 3.25Å; S131-E470 WeakPolarHBondContact CB-OE2 3.27Å; S131-E470 PolarHBondContact OG-OE2 2.86Å; R280-E470 IonicContact CZ-OE1 2.9Å; R280-E470 IonicContact NH1-OE1 2.83Å; R280-E470 IonicContact NH2-OE1 2.97Å; R280-E470 PolarHBondContact NH2-OE1 3.03Å; R284-E470 HydrophobicContact CB-CB 4.21Å; R284-E470 HydrophobicContact CB-CG 4.18Å; R284-E470 CarbonylContact O-C 3.55Å; R284-E470 WeakPolarHBondContact O-CA 3.1Å; R284-E470 WeakPolarHBondContact O-CB 3.49Å; A335-E470 WeakPolarHBondContact CB-OE1 3.48Å; H468-E470 PolarHBondContact O-N 2.86Å
471	S	94.1	Very high	92.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	19%	0.189	C	C	.	.	S	Bend	trans	-133.2	148.6	179.6	-173.6	0	0	0	0	111.9	F128 E130 H468 F469 L473 D474	F128-S471 WeakPolarHBondContact CD1-OG 3.14Å; E130-S471 VanDerWaalsContact OE2-CA 3.26Å; E130-S471 WeakPolarHBondContact OE2-CA 3.39Å; H468-S471 WeakPolarHBondContact O-CB 2.75Å; H468-S471 PolarHBondContact O-N 3.36Å; H468-S471 VanDerWaalsContact O-N 3.11Å; F469-S471 VanDerWaalsContact C-N 3.34Å; F469-S471 PolarHBondContact O-N 2.81Å; S471-L473 PolarHBondContact O-N 3.29Å; S471-L473 VanDerWaalsContact O-N 3.08Å; S471-L473 PolarHBondContact OG-N 3.22Å; S471-D474 PolarHBondContact O-N 2.58Å; S471-D474 VanDerWaalsContact O-N 3.09Å
472	F	93.2	Very high	92.4	Very high	9 Å²	9	34 Å²	34	4%	0.039	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-13.2	165.9	76.6	-91.2	0	0	0	115	V92 F95 F128 E130 L172 F287 S290 T475	V92-F472 HydrophobicContact CG1-CE2 4.35Å; V92-F472 HydrophobicContact CG1-CZ 4.01Å; V92-F472 HydrophobicContact CG2-CE2 3.96Å; V92-F472 HydrophobicContact CG2-CZ 4.03Å; F95-F472 HydrophobicContact CD1-CE1 4.17Å; F95-F472 HydrophobicContact CD1-CZ 4.45Å; F95-F472 HydrophobicContact CE1-CE1 4.02Å; F128-F472 HydrophobicContact CD1-CE1 4.5Å; F128-F472 HydrophobicContact CE1-CD1 4.25Å; F128-F472 AromaticContact CE1-CE1 3.72Å; F128-F472 HydrophobicContact CE1-CE1 3.72Å; F128-F472 HydrophobicContact CZ-CE1 4.46Å; E130-F472 HydrophobicContact CG-CD1 4.48Å; E130-F472 PolarHBondContact OE2-N 2.94Å; L172-F472 HydrophobicContact CD1-CD2 4.49Å; L172-F472 HydrophobicContact CD1-CE2 4.16Å; L172-F472 HydrophobicContact CD2-CB 4.41Å; L172-F472 HydrophobicContact CD2-CD2 3.87Å; L172-F472 HydrophobicContact CD2-CE2 4.35Å; L172-F472 HydrophobicContact CD2-CG 4.17Å; F287-F472 HydrophobicContact CD2-CB 4.49Å; F287-F472 AromaticContact CD2-CD1 3.8Å; F287-F472 HydrophobicContact CD2-CD1 3.8Å; F287-F472 HydrophobicContact CD2-CE1 4.26Å; F287-F472 HydrophobicContact CD2-CG 4.18Å; F287-F472 AromaticContact CE2-CD1 3.94Å; F287-F472 HydrophobicContact CE2-CD1 3.94Å; F287-F472 AromaticContact CE2-CE1 3.92Å; F287-F472 HydrophobicContact CE2-CE1 3.92Å; S290-F472 WeakPolarHBondContact O-CA 3.36Å; F472-T475 WeakPolarHBondContact O-CG2 3.02Å
473	L	93.1	Very high	92.3	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.073	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-16.6	176.5	-62	179.4	0	0	0	113.6	V92 M96 Y123 F128 H468 S471 T475	V92-L473 HydrophobicContact CG1-CD1 4.38Å; V92-L473 HydrophobicContact CG1-CD2 4.13Å; M96-L473 HydrophobicContact SD-CD1 4.11Å; Y123-L473 HydrophobicContact CD2-CD2 3.97Å; Y123-L473 HydrophobicContact CG-CD2 4.16Å; F128-L473 HydrophobicContact CB-CD1 4.22Å; F128-L473 HydrophobicContact CD1-CD1 3.84Å; F128-L473 HydrophobicContact CD1-CG 4.47Å; F128-L473 HydrophobicContact CG-CD1 4.41Å; H468-L473 HydrophobicContact CB-CB 4.27Å; S471-L473 PolarHBondContact O-N 3.29Å; S471-L473 VanDerWaalsContact O-N 3.08Å; S471-L473 PolarHBondContact OG-N 3.22Å; L473-T475 PolarHBondContact O-N 2.85Å; L473-T475 PolarHBondContact O-OG1 3.3Å
474	D	93.3	Very high	92.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.204	C	C	.	.			trans	-78.5	67.6	-179.4	-171.3	3.6	0	0	0	112.1	F292 S293 S294 Q295 N466 H468 S471	F292-D474 WeakPolarHBondContact CB-O 3.49Å; S293-D474 VanDerWaalsContact CA-OD2 3.27Å; S293-D474 WeakPolarHBondContact CA-OD2 3.44Å; S293-D474 PolarHBondContact N-O 3.33Å; S294-D474 WeakPolarHBondContact CB-O 3.38Å; S294-D474 PolarHBondContact N-O 3.13Å; S294-D474 PolarHBondContact N-OD1 2.93Å; S294-D474 PolarHBondContact OG-O 3.27Å; Q295-D474 WeakPolarHBondContact CB-OD1 3.38Å; Q295-D474 WeakPolarHBondContact CG-OD1 3.31Å; Q295-D474 PolarHBondContact N-OD1 3.17Å; Q295-D474 PolarHBondContact N-OD2 3.42Å; N466-D474 PolarHBondContact ND2-OD2 3.39Å; H468-D474 HydrophobicContact CB-CB 3.87Å; H468-D474 WeakPolarHBondContact O-CB 3.42Å; S471-D474 PolarHBondContact O-N 2.58Å; S471-D474 VanDerWaalsContact O-N 3.09Å
475	T	91.2	Very high	92.2	Very high	42 Å²	42	37.8 Å²	37.8	26%	0.258	20%	0.203	S	C	.	.			trans	-107.2	-25.4	-171.4	48.5	0	0	0	0	113.8	F292 S294 F472 L473 S528 P554	F292-T475 HydrophobicContact CD2-CG2 3.29Å; F292-T475 HydrophobicContact CE2-CG2 3.49Å; F292-T475 VanDerWaalsContact CE2-CG2 3.49Å; F292-T475 HydrophobicContact CG-CG2 4.11Å; F292-T475 HydrophobicContact CZ-CG2 4.45Å; S294-T475 VanDerWaalsContact OG-C 3.26Å; S294-T475 PolarHBondContact OG-O 3.41Å; F472-T475 WeakPolarHBondContact O-CG2 3.02Å; L473-T475 PolarHBondContact O-N 2.85Å; L473-T475 PolarHBondContact O-OG1 3.3Å; T475-S528 PolarHBondContact O-OG 3.13Å; T475-P554 WeakPolarHBondContact O-CG 3.34Å
476	K	90.7	Very high	92.2	Very high	78 Å²	78	38.6 Å²	38.6	34%	0.339	21%	0.207	S	C	.	.			trans	-94.2	126	-166	-64.5	-179.9	-174.2	172.3	0	112.2	D124 Q295 L480	D124-K476 IonicContact OD1-NZ 3.59Å; D124-K476 IonicContact OD2-NZ 2.88Å; D124-K476 PolarHBondContact OD2-NZ 3.02Å; Q295-K476 WeakPolarHBondContact CG-O 3.25Å; Q295-K476 PolarHBondContact NE2-O 3.44Å; K476-L480 HydrophobicContact CD-CD1 3.82Å; K476-L480 HydrophobicContact CD-CG 4.39Å
477	W	92.8	Very high	92.3	Very high	13 Å²	13	42.3 Å²	42.3	5%	0.049	23%	0.23	C	C	.	.	S	Bend	trans	-134.1	137.6	165.7	-174.6	-94.2	0	0	0	110.5	Q295 P299 P479 A485 D486 L489 M524 S528 T529	Q295-W477 HydrophobicContact CG-CE3 4.41Å; P299-W477 HydrophobicContact CB-CH2 4.26Å; P299-W477 HydrophobicContact CB-CZ3 4.38Å; P299-W477 HydrophobicContact CG-CE3 4.01Å; P299-W477 HydrophobicContact CG-CH2 3.87Å; P299-W477 HydrophobicContact CG-CZ3 3.52Å; W477-P479 HydrophobicContact CE3-CG 4.4Å; W477-P479 HydrophobicContact CZ3-CG 4.18Å; W477-A485 HydrophobicContact CH2-CB 3.67Å; W477-A485 HydrophobicContact CZ2-CB 3.69Å; W477-A485 HydrophobicContact CZ3-CB 4.4Å; W477-D486 PolarHBondContact NE1-OD1 3.22Å; W477-L489 HydrophobicContact CH2-CD1 3.64Å; W477-L489 HydrophobicContact CH2-CG 4.04Å; W477-L489 HydrophobicContact CZ2-CD1 3.31Å; W477-L489 HydrophobicContact CZ2-CG 3.94Å; W477-M524 HydrophobicContact CB-CE 3.98Å; W477-M524 HydrophobicContact CD2-CE 3.36Å; W477-M524 HydrophobicContact CE3-CE 3.85Å; W477-M524 HydrophobicContact CG-CB 4.46Å; W477-M524 HydrophobicContact CG-CE 3.38Å; W477-M524 HydrophobicContact CZ2-CE 4.48Å; W477-M524 HydrophobicContact CZ2-CG 4.48Å; W477-S528 WeakPolarHBondContact CB-OG 3.4Å; W477-T529 WeakPolarHBondContact O-CG2 3.37Å
478	P	93.3	Very high	92.4	Very high	47 Å²	47	37.5 Å²	37.5	31%	0.305	21%	0.209	S	C	.	.	S	Bend	cis	-65	163.1	-10.7	29.1	-35.9	0	0	0	112.3	L480 A485	P478-L480 PolarHBondContact O-N 3.23Å; P478-A485 HydrophobicContact CB-CB 3.92Å
479	P	90.5	Very high	92.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.208	C	C	.	.			trans	-56.5	139.1	173.1	-20	31	0	0	0	111.1	Q295 L377 W477 D481 N482 A485	Q295-P479 HydrophobicContact CG-CG 4.28Å; L377-P479 HydrophobicContact CD2-CB 3.95Å; L377-P479 HydrophobicContact CD2-CG 3.55Å; W477-P479 HydrophobicContact CE3-CG 4.4Å; W477-P479 HydrophobicContact CZ3-CG 4.18Å; P479-D481 WeakPolarHBondContact CB-OD1 3.16Å; P479-D481 PolarHBondContact O-N 3.47Å; P479-N482 HydrophobicContact CB-CB 4.33Å; P479-N482 CarbonylContact O-C 3.06Å; P479-N482 PolarHBondContact O-N 2.96Å; P479-A485 HydrophobicContact CG-CB 4.48Å
480	L	85.8	Confident	92.6	Very high	117 Å²	117	38.6 Å²	38.6	61%	0.613	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.9	-177	-80.9	155.4	0	0	0	113.5	D124 K476 P478	D124-L480 HydrophobicContact CB-CD1 4.35Å; D124-L480 WeakPolarHBondContact OD2-CD1 3.43Å; K476-L480 HydrophobicContact CD-CD1 3.82Å; K476-L480 HydrophobicContact CD-CG 4.39Å; P478-L480 PolarHBondContact O-N 3.23Å
481	D	85.4	Confident	92.6	Very high	134 Å²	134	39.5 Å²	39.5	72%	0.717	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.9	177.7	59.1	-27.8	0	0	0	113.3	P479	P479-D481 WeakPolarHBondContact CB-OD1 3.16Å; P479-D481 PolarHBondContact O-N 3.47Å
482	N	89.1	Confident	92.8	Very high	24 Å²	24	39.5 Å²	39.5	13%	0.128	22%	0.22	C	C	.	.			trans	-136.9	74.4	178.8	-167.8	-0.6	0	0	0	112.4	P479 T484 A485 I488	P479-N482 HydrophobicContact CB-CB 4.33Å; P479-N482 CarbonylContact O-C 3.06Å; P479-N482 PolarHBondContact O-N 2.96Å; N482-T484 PolarHBondContact O-N 3.05Å; N482-T484 PolarHBondContact OD1-N 3.23Å; N482-T484 PolarHBondContact OD1-OG1 3.27Å; N482-A485 WeakPolarHBondContact O-CB 3.32Å; N482-A485 PolarHBondContact O-N 3.1Å; N482-A485 VanDerWaalsContact O-N 3.09Å; N482-A485 PolarHBondContact OD1-N 2.81Å; N482-I488 WeakPolarHBondContact ND2-CD1 3.3Å
483	P	89.3	Confident	93	Very high	99 Å²	99	39.1 Å²	39.1	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.2	176.6	28.3	-36.2	0	0	0	113.2	A485	P483-A485 VanDerWaalsContact C-N 3.33Å
484	T	92.7	Very high	93.2	Very high	55 Å²	55	38.9 Å²	38.9	34%	0.337	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7	176.3	59.8	0	0	0	0	113.8	K380 N482 D486 T487 I488	K380-T484 PolarHBondContact NZ-OG1 3.02Å; N482-T484 PolarHBondContact O-N 3.05Å; N482-T484 PolarHBondContact OD1-N 3.23Å; N482-T484 PolarHBondContact OD1-OG1 3.27Å; T484-D486 VanDerWaalsContact C-N 3.29Å; T484-D486 PolarHBondContact O-N 3.02Å; T484-T487 PolarHBondContact O-N 3Å; T484-T487 VanDerWaalsContact O-N 3.07Å; T484-I488 WeakPolarHBondContact O-CG1 3.22Å; T484-I488 PolarHBondContact O-N 3.08Å; T484-I488 VanDerWaalsContact O-N 3.09Å
485	A	94.5	Very high	93.4	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-56.3	-39.8	-174.9	0	0	0	0	0	113.2	W477 P478 P479 N482 P483 T487 I488 L489	W477-A485 HydrophobicContact CH2-CB 3.67Å; W477-A485 HydrophobicContact CZ2-CB 3.69Å; W477-A485 HydrophobicContact CZ3-CB 4.4Å; P478-A485 HydrophobicContact CB-CB 3.92Å; P479-A485 HydrophobicContact CG-CB 4.48Å; N482-A485 WeakPolarHBondContact O-CB 3.32Å; N482-A485 PolarHBondContact O-N 3.1Å; N482-A485 VanDerWaalsContact O-N 3.09Å; N482-A485 PolarHBondContact OD1-N 2.81Å; P483-A485 VanDerWaalsContact C-N 3.33Å; A485-T487 VanDerWaalsContact C-N 3.32Å; A485-T487 PolarHBondContact O-N 3.49Å; A485-I488 WeakPolarHBondContact O-CB 3.4Å; A485-I488 PolarHBondContact O-N 2.92Å; A485-I488 VanDerWaalsContact O-N 3.16Å; A485-L489 WeakPolarHBondContact O-CG 3.41Å; A485-L489 PolarHBondContact O-N 3.37Å
486	D	95.2	Very high	93.7	Very high	49 Å²	49	36.9 Å²	36.9	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-59.9	-40.2	176.7	-76.5	-30.6	0	0	0	113.2	W477 T484 L490	W477-D486 PolarHBondContact NE1-OD1 3.22Å; T484-D486 VanDerWaalsContact C-N 3.29Å; T484-D486 PolarHBondContact O-N 3.02Å; D486-L490 PolarHBondContact O-N 3.46Å; D486-L490 VanDerWaalsContact O-N 3.08Å
487	T	95.1	Very high	93.9	Very high	81 Å²	81	33.2 Å²	33.2	50%	0.497	19%	0.189	S	C	.	.	H	α-helix	trans	-70.1	-39.3	177.4	-53.6	0	0	0	0	110.8	T484 A485 L490 D491	T484-T487 PolarHBondContact O-N 3Å; T484-T487 VanDerWaalsContact O-N 3.07Å; A485-T487 VanDerWaalsContact C-N 3.32Å; A485-T487 PolarHBondContact O-N 3.49Å; T487-L490 PolarHBondContact O-N 3.31Å; T487-D491 PolarHBondContact O-N 2.02Å
488	I	95.8	Very high	94.1	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-44.8	176.1	-67.1	167.3	0	0	0	110.6	P385 F387 N482 T484 A485 L490 D491 F492	P385-I488 HydrophobicContact CB-CB 4.45Å; P385-I488 HydrophobicContact CB-CD1 4.37Å; P385-I488 HydrophobicContact CB-CG1 4.16Å; P385-I488 HydrophobicContact CB-CG2 3.55Å; P385-I488 HydrophobicContact CG-CG1 4.2Å; P385-I488 HydrophobicContact CG-CG2 3.94Å; F387-I488 HydrophobicContact CE2-CG2 4.08Å; F387-I488 HydrophobicContact CZ-CG2 3.93Å; N482-I488 WeakPolarHBondContact ND2-CD1 3.3Å; T484-I488 WeakPolarHBondContact O-CG1 3.22Å; T484-I488 PolarHBondContact O-N 3.08Å; T484-I488 VanDerWaalsContact O-N 3.09Å; A485-I488 WeakPolarHBondContact O-CB 3.4Å; A485-I488 PolarHBondContact O-N 2.92Å; A485-I488 VanDerWaalsContact O-N 3.16Å; I488-L490 PolarHBondContact O-N 3.49Å; I488-D491 PolarHBondContact O-N 2.86Å; I488-F492 WeakPolarHBondContact O-CB 3.46Å; I488-F492 PolarHBondContact O-N 3.36Å
489	L	96.7	Very high	94.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-41.5	176.6	-71.3	-170.7	0	0	0	112	P299 V303 L375 W477 A485 F492 A493 P520 M524	P299-L489 HydrophobicContact CB-CD1 3.87Å; P299-L489 HydrophobicContact CB-CD2 4.06Å; V303-L489 HydrophobicContact CG2-CB 4.24Å; V303-L489 HydrophobicContact CG2-CD2 4.04Å; L375-L489 HydrophobicContact CB-CD2 4.39Å; W477-L489 HydrophobicContact CH2-CD1 3.64Å; W477-L489 HydrophobicContact CH2-CG 4.04Å; W477-L489 HydrophobicContact CZ2-CD1 3.31Å; W477-L489 HydrophobicContact CZ2-CG 3.94Å; A485-L489 WeakPolarHBondContact O-CG 3.41Å; A485-L489 PolarHBondContact O-N 3.37Å; L489-F492 PolarHBondContact O-N 2.86Å; L489-A493 VanDerWaalsContact O-CB 3.25Å; L489-A493 WeakPolarHBondContact O-CB 3.31Å; L489-A493 PolarHBondContact O-N 2.87Å; L489-P520 HydrophobicContact CB-CB 3.94Å; L489-P520 HydrophobicContact CB-CG 4.47Å; L489-P520 HydrophobicContact CD1-CB 4.36Å; L489-M524 HydrophobicContact CD1-CG 4.18Å
490	L	97.4	Very high	94.4	Very high	31 Å²	31	30.4 Å²	30.4	16%	0.162	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-44	176.6	178	60.5	0	0	0	111.8	D486 T487 I488 F492 A493 N494 I515 K519	D486-L490 PolarHBondContact O-N 3.46Å; D486-L490 VanDerWaalsContact O-N 3.08Å; T487-L490 PolarHBondContact O-N 3.31Å; I488-L490 PolarHBondContact O-N 3.49Å; L490-F492 VanDerWaalsContact C-N 3.33Å; L490-A493 PolarHBondContact O-N 2.92Å; L490-N494 PolarHBondContact O-N 3.45Å; L490-N494 PolarHBondContact O-ND2 3.46Å; L490-I515 HydrophobicContact CD1-CB 4.09Å; L490-I515 HydrophobicContact CD1-CG2 4.36Å; L490-K519 HydrophobicContact CD1-CB 4.34Å; L490-K519 HydrophobicContact CD1-CG 4.11Å; L490-K519 HydrophobicContact CD2-CD 4.17Å; L490-K519 HydrophobicContact CD2-CG 4.48Å
491	D	96.2	Very high	94.7	Very high	21 Å²	21	25.2 Å²	25.2	11%	0.112	15%	0.145	C	C	.	.	H	α-helix	trans	-66.9	-36.3	178.6	-69.6	-30.5	0	0	0	111.6	K419 V420 T487 I488 T495	K419-D491 HydrophobicContact CB-CB 3.95Å; K419-D491 HydrophobicContact CD-CB 4.06Å; K419-D491 WeakPolarHBondContact CD-OD1 3.19Å; K419-D491 WeakPolarHBondContact CD-OD2 3.28Å; K419-D491 IonicContact NZ-OD1 2.81Å; K419-D491 PolarHBondContact NZ-OD1 3.42Å; V420-D491 HydrophobicContact CG2-CB 3.76Å; T487-D491 PolarHBondContact O-N 2.02Å; I488-D491 PolarHBondContact O-N 2.86Å; D491-T495 WeakPolarHBondContact O-CB 2.93Å; D491-T495 PolarHBondContact O-N 2.96Å; D491-T495 VanDerWaalsContact O-N 3.07Å; D491-T495 PolarHBondContact O-OG1 2.99Å
492	F	97.4	Very high	95.1	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-46.3	171.6	178.7	-90.9	0	0	0	111.3	V303 L372 L375 F387 V420 L422 L456 I488 L489 L490 N494 T495 L496	V303-F492 HydrophobicContact CG1-CD1 3.8Å; V303-F492 HydrophobicContact CG1-CE1 3.9Å; V303-F492 HydrophobicContact CG2-CD1 4.29Å; L372-F492 HydrophobicContact CD2-CE1 4.37Å; L372-F492 HydrophobicContact CD2-CZ 4.34Å; L375-F492 HydrophobicContact CD1-CD1 4.1Å; L375-F492 HydrophobicContact CD1-CE1 3.48Å; L375-F492 VanDerWaalsContact CD1-CE1 3.48Å; L375-F492 HydrophobicContact CD1-CZ 3.93Å; L375-F492 HydrophobicContact CD2-CE1 4.29Å; L375-F492 HydrophobicContact CD2-CE2 4.34Å; L375-F492 HydrophobicContact CD2-CZ 3.92Å; F387-F492 HydrophobicContact CB-CD2 4.29Å; F387-F492 HydrophobicContact CB-CE2 3.95Å; F387-F492 AromaticContact CD1-CD2 3.88Å; F387-F492 HydrophobicContact CD1-CD2 3.88Å; F387-F492 AromaticContact CD1-CE2 3.8Å; F387-F492 HydrophobicContact CD1-CE2 3.8Å; F387-F492 AromaticContact CD2-CD2 3.46Å; F387-F492 HydrophobicContact CD2-CD2 3.46Å; F387-F492 VanDerWaalsContact CD2-CD2 3.46Å; F387-F492 AromaticContact CD2-CE2 3.99Å; F387-F492 HydrophobicContact CD2-CE2 3.99Å; F387-F492 HydrophobicContact CD2-CG 4.43Å; F387-F492 AromaticContact CE1-CD2 3.95Å; F387-F492 HydrophobicContact CE1-CD2 3.95Å; F387-F492 HydrophobicContact CE1-CE2 4.23Å; F387-F492 HydrophobicContact CE1-CG 4.38Å; F387-F492 HydrophobicContact CE2-CB 3.97Å; F387-F492 AromaticContact CE2-CD2 3.53Å; F387-F492 HydrophobicContact CE2-CD2 3.53Å; F387-F492 HydrophobicContact CE2-CE2 4.39Å; F387-F492 HydrophobicContact CE2-CG 4.06Å; F387-F492 AromaticContact CG-CD2 3.62Å; F387-F492 HydrophobicContact CG-CD2 3.62Å; F387-F492 AromaticContact CG-CE2 3.65Å; F387-F492 HydrophobicContact CG-CE2 3.65Å; F387-F492 HydrophobicContact CZ-CB 4.04Å; F387-F492 AromaticContact CZ-CD2 3.76Å; F387-F492 HydrophobicContact CZ-CD2 3.76Å; F387-F492 HydrophobicContact CZ-CE2 4.49Å; F387-F492 HydrophobicContact CZ-CG 4.03Å; V420-F492 HydrophobicContact CG1-CD2 4.23Å; V420-F492 HydrophobicContact CG2-CB 4.39Å; L422-F492 HydrophobicContact CD2-CE2 3.97Å; L456-F492 HydrophobicContact CB-CZ 4.19Å; L456-F492 HydrophobicContact CD1-CZ 4.04Å; I488-F492 WeakPolarHBondContact O-CB 3.46Å; I488-F492 PolarHBondContact O-N 3.36Å; L489-F492 PolarHBondContact O-N 2.86Å; L490-F492 VanDerWaalsContact C-N 3.33Å; F492-N494 VanDerWaalsContact C-N 3.35Å; F492-N494 PolarHBondContact O-N 3.2Å; F492-T495 CarbonylContact O-C 3.13Å; F492-T495 WeakPolarHBondContact O-CB 3.02Å; F492-T495 PolarHBondContact O-N 2.85Å; F492-T495 VanDerWaalsContact O-N 3.11Å; F492-L496 HydrophobicContact CE1-CB 4.4Å; F492-L496 HydrophobicContact CE1-CD2 4.12Å; F492-L496 WeakPolarHBondContact O-CB 3.16Å; F492-L496 PolarHBondContact O-N 3.16Å
493	A	98	Very high	95.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-41.5	178.6	0	0	0	0	0	112	V303 V307 L489 L490 T495 L496 A497 I515 P520	V303-A493 HydrophobicContact CG1-CB 4.05Å; V303-A493 HydrophobicContact CG2-CB 4.44Å; V307-A493 HydrophobicContact CG2-CB 3.9Å; V307-A493 WeakPolarHBondContact CG2-O 3.23Å; L489-A493 VanDerWaalsContact O-CB 3.25Å; L489-A493 WeakPolarHBondContact O-CB 3.31Å; L489-A493 PolarHBondContact O-N 2.87Å; L490-A493 PolarHBondContact O-N 2.92Å; A493-T495 VanDerWaalsContact C-N 3.34Å; A493-T495 PolarHBondContact O-N 3.02Å; A493-L496 PolarHBondContact O-N 3.27Å; A493-A497 WeakPolarHBondContact O-CB 3.28Å; A493-A497 PolarHBondContact O-N 3.22Å; A493-I515 HydrophobicContact CB-CD1 3.48Å; A493-I515 VanDerWaalsContact CB-CD1 3.48Å; A493-P520 HydrophobicContact CB-CG 3.77Å
494	N	97.5	Very high	95.3	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.053	8%	0.08	C	C	.	.	H	α-helix	trans	-61.4	-43.1	173.1	-75.1	-49.9	0	0	0	111.9	L490 F492 A497 D498 N514 I515	L490-N494 PolarHBondContact O-N 3.45Å; L490-N494 PolarHBondContact O-ND2 3.46Å; F492-N494 VanDerWaalsContact C-N 3.35Å; F492-N494 PolarHBondContact O-N 3.2Å; N494-A497 PolarHBondContact O-N 3.3Å; N494-D498 PolarHBondContact O-N 3Å; N494-N514 WeakPolarHBondContact OD1-CA 3.49Å; N494-N514 WeakPolarHBondContact OD1-CB 3.48Å; N494-I515 WeakPolarHBondContact OD1-CG1 3.19Å; N494-I515 PolarHBondContact OD1-N 3.12Å
495	T	97	Very high	95	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-42.7	177.8	-55.9	0	0	0	0	111.7	A413 N417 L422 D491 F492 A493 D498 G499	A413-T495 HydrophobicContact CB-CG2 4.19Å; A413-T495 WeakPolarHBondContact CB-O 3.24Å; N417-T495 WeakPolarHBondContact ND2-CA 3.43Å; L422-T495 HydrophobicContact CD1-CG2 3.73Å; L422-T495 HydrophobicContact CG-CG2 4.49Å; D491-T495 WeakPolarHBondContact O-CB 2.93Å; D491-T495 PolarHBondContact O-N 2.96Å; D491-T495 VanDerWaalsContact O-N 3.07Å; D491-T495 PolarHBondContact O-OG1 2.99Å; F492-T495 CarbonylContact O-C 3.13Å; F492-T495 WeakPolarHBondContact O-CB 3.02Å; F492-T495 PolarHBondContact O-N 2.85Å; F492-T495 VanDerWaalsContact O-N 3.11Å; A493-T495 VanDerWaalsContact C-N 3.34Å; A493-T495 PolarHBondContact O-N 3.02Å; T495-D498 PolarHBondContact O-N 3.23Å; T495-G499 PolarHBondContact O-N 2.75Å
496	L	97.5	Very high	94.3	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-65.6	-44.9	176.9	-179.2	61.5	0	0	0	111.3	V303 V307 L372 L410 L456 F492 A493 D498 G499 L500	V303-L496 HydrophobicContact CG1-CD2 4.08Å; V307-L496 HydrophobicContact CG2-CB 4.42Å; V307-L496 HydrophobicContact CG2-CD2 4.25Å; V307-L496 HydrophobicContact CG2-CG 4.48Å; L372-L496 HydrophobicContact CD1-CD2 3.74Å; L372-L496 HydrophobicContact CD2-CD2 3.87Å; L372-L496 HydrophobicContact CG-CD2 4.4Å; L410-L496 HydrophobicContact CD2-CD1 4.39Å; L456-L496 HydrophobicContact CD1-CD1 3.84Å; F492-L496 HydrophobicContact CE1-CB 4.4Å; F492-L496 HydrophobicContact CE1-CD2 4.12Å; F492-L496 WeakPolarHBondContact O-CB 3.16Å; F492-L496 PolarHBondContact O-N 3.16Å; A493-L496 PolarHBondContact O-N 3.27Å; L496-D498 VanDerWaalsContact C-N 3.34Å; L496-D498 PolarHBondContact O-N 3.02Å; L496-G499 PolarHBondContact O-N 2.9Å; L496-L500 HydrophobicContact CD1-CD1 4.12Å; L496-L500 HydrophobicContact CD1-CD2 4.42Å; L496-L500 HydrophobicContact CD1-CG 3.99Å; L496-L500 HydrophobicContact CG-CD1 3.97Å; L496-L500 HydrophobicContact CG-CG 4.27Å; L496-L500 WeakPolarHBondContact O-CB 3.13Å; L496-L500 VanDerWaalsContact O-CG 3.26Å; L496-L500 WeakPolarHBondContact O-CG 2.97Å; L496-L500 PolarHBondContact O-N 2.65Å
497	A	96	Very high	93.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.7	-44.1	177.3	0	0	0	0	0	111.9	V307 L311 A493 N494 H501 I511	V307-A497 HydrophobicContact CG1-CB 4.16Å; V307-A497 HydrophobicContact CG2-CB 4.36Å; L311-A497 HydrophobicContact CG-CB 4.43Å; A493-A497 WeakPolarHBondContact O-CB 3.28Å; A493-A497 PolarHBondContact O-N 3.22Å; N494-A497 PolarHBondContact O-N 3.3Å; A497-H501 WeakPolarHBondContact O-CB 3.01Å; A497-H501 PolarHBondContact O-N 2.94Å; A497-I511 HydrophobicContact CB-CD1 4.22Å
498	D	95.3	Very high	93.3	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-47.6	174.9	-173.8	49.9	0	0	0	111.7	A413 N494 T495 L496 L500 H501 R502 P510 I511	A413-D498 WeakPolarHBondContact CA-OD2 3.5Å; A413-D498 HydrophobicContact CB-CB 3.91Å; A413-D498 WeakPolarHBondContact CB-OD2 3.18Å; N494-D498 PolarHBondContact O-N 3Å; T495-D498 PolarHBondContact O-N 3.23Å; L496-D498 VanDerWaalsContact C-N 3.34Å; L496-D498 PolarHBondContact O-N 3.02Å; D498-L500 PolarHBondContact O-N 2.86Å; D498-H501 PolarHBondContact O-N 3Å; D498-R502 VanDerWaalsContact O-CG 3.27Å; D498-R502 WeakPolarHBondContact O-CG 3.43Å; D498-R502 PolarHBondContact O-N 2.97Å; D498-R502 IonicContact OD1-NE 2.83Å; D498-R502 PolarHBondContact OD1-NE 3.45Å; D498-R502 IonicContact OD1-NH2 3.06Å; D498-R502 IonicContact OD2-CZ 3.8Å; D498-R502 IonicContact OD2-NE 3.99Å; D498-R502 PolarHBondContact OD2-NE 3.21Å; D498-R502 IonicContact OD2-NH2 3.41Å; D498-R502 PolarHBondContact OD2-NH2 2.7Å; D498-P510 WeakPolarHBondContact OD1-CA 3.06Å; D498-P510 VanDerWaalsContact OD1-CB 3.26Å; D498-P510 WeakPolarHBondContact OD1-CB 3.36Å; D498-I511 HydrophobicContact CB-CG2 3.78Å; D498-I511 PolarHBondContact OD1-N 3Å
499	G	95.6	Very high	92.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-44.1	178.7	0	0	0	0	0	113	T495 L496 R502 I503	T495-G499 PolarHBondContact O-N 2.75Å; L496-G499 PolarHBondContact O-N 2.9Å; G499-R502 PolarHBondContact O-N 2.95Å; G499-I503 WeakPolarHBondContact O-CD1 3.24Å; G499-I503 VanDerWaalsContact O-CG1 3.25Å; G499-I503 WeakPolarHBondContact O-CG1 3.45Å; G499-I503 PolarHBondContact O-N 2.72Å; G499-I503 VanDerWaalsContact O-N 3.08Å
500	L	94.8	Very high	92.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.2	-46.9	175.9	-69.2	175.9	0	0	0	111.3	V277 V307 L311 L326 F328 I370 L496 D498 R502 I503 V504	V277-L500 HydrophobicContact CG1-CD1 4.46Å; V277-L500 HydrophobicContact CG2-CD1 3.84Å; V277-L500 HydrophobicContact CG2-CD2 3.48Å; V277-L500 VanDerWaalsContact CG2-CD2 3.48Å; V277-L500 HydrophobicContact CG2-CG 4.32Å; V307-L500 HydrophobicContact CG1-CD1 3.81Å; L311-L500 HydrophobicContact CD1-CB 4.11Å; L311-L500 HydrophobicContact CD1-CD1 4.12Å; L326-L500 HydrophobicContact CD1-CD2 4.46Å; F328-L500 HydrophobicContact CE1-CD1 4.09Å; I370-L500 HydrophobicContact CD1-CD2 3.64Å; L496-L500 HydrophobicContact CD1-CD1 4.12Å; L496-L500 HydrophobicContact CD1-CD2 4.42Å; L496-L500 HydrophobicContact CD1-CG 3.99Å; L496-L500 HydrophobicContact CG-CD1 3.97Å; L496-L500 HydrophobicContact CG-CG 4.27Å; L496-L500 WeakPolarHBondContact O-CB 3.13Å; L496-L500 VanDerWaalsContact O-CG 3.26Å; L496-L500 WeakPolarHBondContact O-CG 2.97Å; L496-L500 PolarHBondContact O-N 2.65Å; D498-L500 PolarHBondContact O-N 2.86Å; L500-R502 PolarHBondContact O-N 3.46Å; L500-I503 PolarHBondContact O-N 3.23Å; L500-V504 WeakPolarHBondContact O-CG2 3.47Å; L500-V504 PolarHBondContact O-N 2.98Å; L500-V504 VanDerWaalsContact O-N 3.09Å
501	H	92.8	Very high	92	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-55.2	-43.5	177.2	-174.8	-93	0	0	0	111.3	L311 T316 A497 D498 I503 V504 S505 E509 I511	L311-H501 HydrophobicContact CD2-CB 4.13Å; T316-H501 PolarHBondContact OG1-NE2 3.01Å; A497-H501 WeakPolarHBondContact O-CB 3.01Å; A497-H501 PolarHBondContact O-N 2.94Å; D498-H501 PolarHBondContact O-N 3Å; H501-I503 PolarHBondContact O-N 3.3Å; H501-V504 PolarHBondContact O-N 2.95Å; H501-S505 WeakPolarHBondContact O-CB 3.46Å; H501-S505 PolarHBondContact O-N 2.89Å; H501-E509 PolarHBondContact ND1-O 3.02Å; H501-I511 HydrophobicContact CB-CB 4.15Å
502	R	93.1	Very high	91.5	Very high	28 Å²	28	27.3 Å²	27.3	11%	0.106	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-36.7	175.6	-68.1	168.6	-175.7	-97.5	14.9	113.3	H409 T416 D498 G499 L500 H508 E509	H409-R502 HydrophobicContact CB-CB 4.03Å; T416-R502 PolarHBondContact OG1-NH2 2.84Å; D498-R502 VanDerWaalsContact O-CG 3.27Å; D498-R502 WeakPolarHBondContact O-CG 3.43Å; D498-R502 PolarHBondContact O-N 2.97Å; D498-R502 IonicContact OD1-NE 2.83Å; D498-R502 PolarHBondContact OD1-NE 3.45Å; D498-R502 IonicContact OD1-NH2 3.06Å; D498-R502 IonicContact OD2-CZ 3.8Å; D498-R502 IonicContact OD2-NE 3.99Å; D498-R502 PolarHBondContact OD2-NE 3.21Å; D498-R502 IonicContact OD2-NH2 3.41Å; D498-R502 PolarHBondContact OD2-NH2 2.7Å; G499-R502 PolarHBondContact O-N 2.95Å; L500-R502 PolarHBondContact O-N 3.46Å; R502-H508 WeakPolarHBondContact O-CA 3.32Å; R502-H508 PolarHBondContact O-CD2 2.86Å; R502-E509 WeakPolarHBondContact CG-O 3.32Å
503	I	92.4	Very high	91.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-69.3	-36.4	-179.6	-71	162.3	0	0	0	111.7	V275 I370 I406 H409 L410 G499 L500 H501	V275-I503 HydrophobicContact CG2-CG2 4.15Å; I370-I503 HydrophobicContact CD1-CD1 4Å; I406-I503 HydrophobicContact CG2-CD1 3.97Å; H409-I503 HydrophobicContact CB-CD1 4.37Å; H409-I503 HydrophobicContact CB-CG1 3.64Å; L410-I503 HydrophobicContact CD2-CD1 4.46Å; L410-I503 HydrophobicContact CG-CD1 4.45Å; G499-I503 WeakPolarHBondContact O-CD1 3.24Å; G499-I503 VanDerWaalsContact O-CG1 3.25Å; G499-I503 WeakPolarHBondContact O-CG1 3.45Å; G499-I503 PolarHBondContact O-N 2.72Å; G499-I503 VanDerWaalsContact O-N 3.08Å; L500-I503 PolarHBondContact O-N 3.23Å; H501-I503 PolarHBondContact O-N 3.3Å
504	V	89.8	Confident	91	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-102.8	-18.7	-170.1	-60.8	0	0	0	0	113.9	V275 F322 E323 K324 L326 L500 H501	V275-V504 HydrophobicContact CB-CG1 4.26Å; V275-V504 HydrophobicContact CG2-CG1 4.01Å; F322-V504 CarbonylContact C-O 3.58Å; F322-V504 WeakPolarHBondContact CA-O 3.5Å; F322-V504 HydrophobicContact CD1-CB 3.68Å; F322-V504 HydrophobicContact CD1-CG2 3.35Å; F322-V504 WeakPolarHBondContact CD1-O 3.45Å; F322-V504 HydrophobicContact CE1-CB 4.13Å; F322-V504 HydrophobicContact CE1-CG2 3.27Å; E323-V504 PolarHBondContact N-O 2.64Å; K324-V504 HydrophobicContact CB-CB 4.49Å; K324-V504 HydrophobicContact CB-CG1 4.27Å; L326-V504 HydrophobicContact CB-CG1 4.34Å; L326-V504 HydrophobicContact CD1-CG1 4.33Å; L326-V504 HydrophobicContact CD2-CG2 4.47Å; L500-V504 WeakPolarHBondContact O-CG2 3.47Å; L500-V504 PolarHBondContact O-N 2.98Å; L500-V504 VanDerWaalsContact O-N 3.09Å; H501-V504 PolarHBondContact O-N 2.95Å
505	S	86.6	Confident	90.9	Very high	17 Å²	17	33.6 Å²	33.6	12%	0.119	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-76.2	136.2	174.4	178	0	0	0	0	111.8	H501 N507 H508	H501-S505 WeakPolarHBondContact O-CB 3.46Å; H501-S505 PolarHBondContact O-N 2.89Å; S505-N507 PolarHBondContact O-N 3.29Å; S505-N507 PolarHBondContact OG-N 2.85Å; S505-H508 PolarHBondContact O-CD2 3.45Å; S505-H508 PolarHBondContact O-N 3.46Å; S505-H508 VanDerWaalsContact O-N 3.1Å
506	A	81.1	Confident	90.8	Very high	40 Å²	40	37.2 Å²	37.2	33%	0.331	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.5	177.3	0	0	0	0	0	114.1	Q321	Q321-A506 HydrophobicContact CB-CB 4.38Å; Q321-A506 PolarHBondContact O-N 2.82Å
507	N	83.1	Confident	90.7	Very high	100 Å²	100	42.8 Å²	42.8	54%	0.535	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.9	179.7	-65.4	-10	0	0	0	113.2	S505 E509	S505-N507 PolarHBondContact O-N 3.29Å; S505-N507 PolarHBondContact OG-N 2.85Å; N507-E509 HydrophobicContact CB-CG 3.77Å; N507-E509 WeakPolarHBondContact CB-OE1 3.41Å; N507-E509 PolarHBondContact ND2-OE1 3.4Å; N507-E509 PolarHBondContact O-N 3.34Å; N507-E509 VanDerWaalsContact O-N 3.17Å
508	H	85.9	Confident	90.7	Very high	76 Å²	76	42.8 Å²	42.8	35%	0.352	25%	0.245	S	C	.	.			trans	52.3	31.7	-173.3	-44.4	123.5	0	0	0	114.1	H409 R502 S505	H409-H508 AromaticContact CE1-CD2 3.71Å; H409-H508 AromaticContact CE1-CG 3.63Å; H409-H508 AromaticContact NE2-CD2 3.89Å; R502-H508 WeakPolarHBondContact O-CA 3.32Å; R502-H508 PolarHBondContact O-CD2 2.86Å; S505-H508 PolarHBondContact O-CD2 3.45Å; S505-H508 PolarHBondContact O-N 3.46Å; S505-H508 VanDerWaalsContact O-N 3.1Å
509	E	84.9	Confident	90.8	Very high	104 Å²	104	46.3 Å²	46.3	49%	0.486	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-75.6	150.8	-177.7	-78.4	175.1	-151.3	0	0	111.8	H501 R502 N507	H501-E509 PolarHBondContact ND1-O 3.02Å; R502-E509 WeakPolarHBondContact CG-O 3.32Å; N507-E509 HydrophobicContact CB-CG 3.77Å; N507-E509 WeakPolarHBondContact CB-OE1 3.41Å; N507-E509 PolarHBondContact ND2-OE1 3.4Å; N507-E509 PolarHBondContact O-N 3.34Å; N507-E509 VanDerWaalsContact O-N 3.17Å
510	P	87.9	Confident	90.9	Very high	64 Å²	64	46.3 Å²	46.3	42%	0.416	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-61.9	154.8	170.9	24.7	-31.4	0	0	0	112	D498	D498-P510 WeakPolarHBondContact OD1-CA 3.06Å; D498-P510 VanDerWaalsContact OD1-CB 3.26Å; D498-P510 WeakPolarHBondContact OD1-CB 3.36Å
511	I	89.4	Confident	91	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.097	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-67	140.6	169.9	-161.5	170	0	0	0	110.2	H310 L311 Q314 A497 D498 H501 S513	H310-I511 VanDerWaalsContact CD2-CD1 3.5Å; H310-I511 WeakPolarHBondContact CD2-CD1 3.32Å; H310-I511 WeakPolarHBondContact NE2-CD1 3.26Å; L311-I511 HydrophobicContact CD2-CD1 3.64Å; L311-I511 HydrophobicContact CG-CD1 4.5Å; Q314-I511 HydrophobicContact CG-CD1 4.02Å; Q314-I511 HydrophobicContact CG-CG1 4.2Å; A497-I511 HydrophobicContact CB-CD1 4.22Å; D498-I511 HydrophobicContact CB-CG2 3.78Å; D498-I511 PolarHBondContact OD1-N 3Å; H501-I511 HydrophobicContact CB-CB 4.15Å; I511-S513 VanDerWaalsContact C-N 3.34Å; I511-S513 PolarHBondContact O-N 2.83Å
512	S	84.8	Confident	91.1	Very high	101 Å²	101	49.2 Å²	49.2	71%	0.706	28%	0.278	S	S	*	.	S	Bend	trans	-74.8	-21.4	-171.8	64.4	0	0	0	0	114.5	Q314	Q314-S512 PolarHBondContact OE1-OG 3.4Å
513	S	91.4	Very high	91.3	Very high	48 Å²	48	47.9 Å²	47.9	34%	0.336	27%	0.273	S	S	.	.	S	Bend	trans	-147.1	151.4	-172.3	57	0	0	0	0	111.8	H310 Q314 I511	H310-S513 PolarHBondContact CE1-O 3.19Å; H310-S513 VanDerWaalsContact CE1-O 3.28Å; H310-S513 PolarHBondContact NE2-O 3.47Å; Q314-S513 PolarHBondContact NE2-OG 2.86Å; Q314-S513 PolarHBondContact OE1-OG 2.73Å; I511-S513 VanDerWaalsContact C-N 3.34Å; I511-S513 PolarHBondContact O-N 2.83Å
514	N	94.1	Very high	91.5	Very high	87 Å²	87	47.8 Å²	47.8	47%	0.465	27%	0.272	S	S	.	.			trans	-80.6	159.4	172.5	-69.9	-12.7	0	0	0	111.1	H310 N494 A516	H310-N514 PolarHBondContact CE1-O 3.45Å; N494-N514 WeakPolarHBondContact OD1-CA 3.49Å; N494-N514 WeakPolarHBondContact OD1-CB 3.48Å; N514-A516 PolarHBondContact O-N 3.01Å; N514-A516 VanDerWaalsContact O-N 3.11Å
515	I	96.1	Very high	91.7	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.036	29%	0.291	C	S	.	.			trans	-59.4	112.9	176.6	-59.7	170.9	0	0	0	109.3	V307 H310 L490 A493 N494	V307-I515 HydrophobicContact CG2-CD1 4.14Å; H310-I515 HydrophobicContact CB-CB 4.49Å; H310-I515 HydrophobicContact CB-CG1 3.75Å; H310-I515 HydrophobicContact CB-CG2 4.48Å; L490-I515 HydrophobicContact CD1-CB 4.09Å; L490-I515 HydrophobicContact CD1-CG2 4.36Å; A493-I515 HydrophobicContact CB-CD1 3.48Å; A493-I515 VanDerWaalsContact CB-CD1 3.48Å; N494-I515 WeakPolarHBondContact OD1-CG1 3.19Å; N494-I515 PolarHBondContact OD1-N 3.12Å
516	A	94.2	Very high	92.1	Very high	77 Å²	77	51 Å²	51	64%	0.636	29%	0.286	S	S	*	.			trans	-89.2	-48.7	176.5	0	0	0	0	0	111.7	N514 K519	N514-A516 PolarHBondContact O-N 3.01Å; N514-A516 VanDerWaalsContact O-N 3.11Å; A516-K519 WeakPolarHBondContact O-CE 3.33Å
517	Y	94.5	Very high	92.8	Very high	117 Å²	117	49 Å²	49	46%	0.459	27%	0.27	S	S	.	.	S	Bend	trans	-163.3	144.8	-178.5	-178.1	-95	0	0	0	111.3	L535 L581	Y517-L535 WeakPolarHBondContact OH-CG 3.3Å; Y517-L581 HydrophobicContact CE1-CD2 4.44Å
518	P	96.5	Very high	93.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	S	Bend	cis	-74.1	139.9	-13.3	31.4	-32.9	0	0	0	110.4	S306 I523 L535 L581	S306-P518 VanDerWaalsContact CB-O 3.27Å; S306-P518 WeakPolarHBondContact CB-O 3.34Å; S306-P518 PolarHBondContact OG-O 2.81Å; P518-I523 HydrophobicContact CB-CD1 4.42Å; P518-I523 HydrophobicContact CB-CG1 4.3Å; P518-I523 HydrophobicContact CG-CD1 4.27Å; P518-L535 HydrophobicContact CB-CD1 4.36Å; P518-L535 HydrophobicContact CB-CD2 4.49Å; P518-L581 HydrophobicContact CG-CD1 3.92Å; P518-L581 HydrophobicContact CG-CD2 4.15Å
519	K	97.5	Very high	93.3	Very high	78 Å²	78	45.4 Å²	45.4	34%	0.339	26%	0.257	S	S	.	.			trans	-79.1	156.3	173.3	-63	170.9	-176.7	171.9	0	109.8	L490 A516 S521 D522 I523	L490-K519 HydrophobicContact CD1-CB 4.34Å; L490-K519 HydrophobicContact CD1-CG 4.11Å; L490-K519 HydrophobicContact CD2-CD 4.17Å; L490-K519 HydrophobicContact CD2-CG 4.48Å; A516-K519 WeakPolarHBondContact O-CE 3.33Å; K519-S521 WeakPolarHBondContact CB-OG 3.43Å; K519-S521 PolarHBondContact O-N 2.88Å; K519-S521 VanDerWaalsContact O-N 3.15Å; K519-D522 WeakPolarHBondContact CB-OD2 3.43Å; K519-D522 PolarHBondContact N-OD2 3.49Å; K519-D522 WeakPolarHBondContact O-CB 3.44Å; K519-D522 PolarHBondContact O-N 3.21Å; K519-I523 PolarHBondContact O-N 3.01Å
520	P	97.5	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.2	-34.9	174.5	-27.2	35.8	0	0	0	112.2	A302 V303 S306 L489 A493 D522 I523 M524	A302-P520 HydrophobicContact CB-CB 4.26Å; V303-P520 HydrophobicContact CG2-CB 4.29Å; V303-P520 HydrophobicContact CG2-CG 4.26Å; S306-P520 WeakPolarHBondContact OG-CD 3.46Å; S306-P520 VanDerWaalsContact OG-N 3.11Å; L489-P520 HydrophobicContact CB-CB 3.94Å; L489-P520 HydrophobicContact CB-CG 4.47Å; L489-P520 HydrophobicContact CD1-CB 4.36Å; A493-P520 HydrophobicContact CB-CG 3.77Å; P520-D522 PolarHBondContact O-N 3.45Å; P520-I523 PolarHBondContact O-N 3.45Å; P520-M524 WeakPolarHBondContact O-CB 3.41Å; P520-M524 VanDerWaalsContact O-CG 3.29Å; P520-M524 WeakPolarHBondContact O-CG 3.02Å; P520-M524 PolarHBondContact O-N 3.06Å
521	S	96.2	Very high	93.7	Very high	26 Å²	26	41.2 Å²	41.2	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-39.4	174.9	58.4	0	0	0	0	113.6	K519 I523 M524 E525	K519-S521 WeakPolarHBondContact CB-OG 3.43Å; K519-S521 PolarHBondContact O-N 2.88Å; K519-S521 VanDerWaalsContact O-N 3.15Å; S521-I523 VanDerWaalsContact C-N 3.28Å; S521-I523 PolarHBondContact O-N 2.68Å; S521-M524 PolarHBondContact O-N 3.2Å; S521-E525 WeakPolarHBondContact O-CB 3.19Å; S521-E525 PolarHBondContact O-N 3.01Å
522	D	96.5	Very high	93.8	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.219	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-36.6	-178.9	-51.5	-29.2	0	0	0	110	K519 P520 C526 L535	K519-D522 WeakPolarHBondContact CB-OD2 3.43Å; K519-D522 PolarHBondContact N-OD2 3.49Å; K519-D522 WeakPolarHBondContact O-CB 3.44Å; K519-D522 PolarHBondContact O-N 3.21Å; P520-D522 PolarHBondContact O-N 3.45Å; D522-C526 PolarHBondContact O-N 3.45Å; D522-C526 PolarHBondContact O-SG 3.27Å; D522-L535 HydrophobicContact CB-CD1 4Å
523	I	96.9	Very high	94.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-74.5	-43.1	176.9	-58.5	172.7	0	0	0	110.6	A302 I305 P518 K519 P520 S521 E525 C526 F527 L535	A302-I523 HydrophobicContact CB-CB 3.94Å; A302-I523 HydrophobicContact CB-CG2 3.87Å; I305-I523 HydrophobicContact CB-CD1 3.69Å; I305-I523 HydrophobicContact CD1-CD1 4.49Å; I305-I523 HydrophobicContact CD1-CG2 4.44Å; I305-I523 HydrophobicContact CG2-CD1 3.52Å; P518-I523 HydrophobicContact CB-CD1 4.42Å; P518-I523 HydrophobicContact CB-CG1 4.3Å; P518-I523 HydrophobicContact CG-CD1 4.27Å; K519-I523 PolarHBondContact O-N 3.01Å; P520-I523 PolarHBondContact O-N 3.45Å; S521-I523 VanDerWaalsContact C-N 3.28Å; S521-I523 PolarHBondContact O-N 2.68Å; I523-E525 VanDerWaalsContact C-N 3.28Å; I523-E525 PolarHBondContact O-N 3.02Å; I523-C526 WeakPolarHBondContact O-CB 3.28Å; I523-C526 PolarHBondContact O-N 3.01Å; I523-F527 HydrophobicContact CG2-CD2 3.78Å; I523-F527 HydrophobicContact CG2-CE1 4.34Å; I523-F527 HydrophobicContact CG2-CE2 3.44Å; I523-F527 VanDerWaalsContact CG2-CE2 3.44Å; I523-F527 HydrophobicContact CG2-CG 4.37Å; I523-F527 HydrophobicContact CG2-CZ 3.76Å; I523-F527 WeakPolarHBondContact O-CG 3.39Å; I523-F527 PolarHBondContact O-N 3.49Å; I523-L535 HydrophobicContact CG1-CD1 4.41Å
524	M	96.1	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-36.8	176.1	-74.7	-53.7	-66.2	0	0	112	S294 L298 P299 A302 W477 L489 P520 S521 F527 S528	S294-M524 WeakPolarHBondContact O-CE 3.26Å; L298-M524 HydrophobicContact CB-CE 3.82Å; L298-M524 HydrophobicContact CB-SD 3.82Å; P299-M524 HydrophobicContact CG-CE 4.01Å; P299-M524 HydrophobicContact CG-SD 4.37Å; A302-M524 HydrophobicContact CB-CG 3.79Å; A302-M524 HydrophobicContact CB-SD 3.78Å; W477-M524 HydrophobicContact CB-CE 3.98Å; W477-M524 HydrophobicContact CD2-CE 3.36Å; W477-M524 HydrophobicContact CE3-CE 3.85Å; W477-M524 HydrophobicContact CG-CB 4.46Å; W477-M524 HydrophobicContact CG-CE 3.38Å; W477-M524 HydrophobicContact CZ2-CE 4.48Å; W477-M524 HydrophobicContact CZ2-CG 4.48Å; L489-M524 HydrophobicContact CD1-CG 4.18Å; P520-M524 WeakPolarHBondContact O-CB 3.41Å; P520-M524 VanDerWaalsContact O-CG 3.29Å; P520-M524 WeakPolarHBondContact O-CG 3.02Å; P520-M524 PolarHBondContact O-N 3.06Å; S521-M524 PolarHBondContact O-N 3.2Å; M524-F527 PolarHBondContact O-N 3.19Å; M524-S528 WeakPolarHBondContact O-CB 3.4Å; M524-S528 PolarHBondContact O-N 2.97Å
525	E	94.9	Very high	94.3	Very high	83 Å²	83	36.1 Å²	36.1	39%	0.388	20%	0.201	S	C	.	.	I	π-helix	trans	-57.4	-51.2	172.3	179.6	-179.3	169.2	0	0	110.2	S521 I523 F527 T529 N530	S521-E525 WeakPolarHBondContact O-CB 3.19Å; S521-E525 PolarHBondContact O-N 3.01Å; I523-E525 VanDerWaalsContact C-N 3.28Å; I523-E525 PolarHBondContact O-N 3.02Å; E525-F527 VanDerWaalsContact C-N 3.3Å; E525-F527 PolarHBondContact O-N 3.39Å; E525-T529 VanDerWaalsContact CA-OG1 3.29Å; E525-T529 WeakPolarHBondContact CA-OG1 3.32Å; E525-T529 WeakPolarHBondContact CG-OG1 3.49Å; E525-T529 PolarHBondContact O-N 3.41Å; E525-T529 PolarHBondContact O-OG1 3.23Å; E525-N530 HydrophobicContact CG-CB 3.83Å; E525-N530 CarbonylContact O-C 3.53Å; E525-N530 PolarHBondContact O-N 2.8Å; E525-N530 PolarHBondContact OE1-ND2 3.23Å; E525-N530 VanDerWaalsContact OE1-ND2 3.12Å
526	C	94.9	Very high	94.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	20%	0.199	C	C	.	.	I	π-helix	trans	-61.6	-33.9	177.8	-65.4	0	0	0	0	114	D522 I523 L531 C533 F536	D522-C526 PolarHBondContact O-N 3.45Å; D522-C526 PolarHBondContact O-SG 3.27Å; I523-C526 WeakPolarHBondContact O-CB 3.28Å; I523-C526 PolarHBondContact O-N 3.01Å; C526-L531 WeakPolarHBondContact O-CD2 3.18Å; C526-C533 VanDerWaalsContact CA-SG 3.57Å; C526-C533 HydrophobicContact CB-CB 4.06Å; C526-C533 WeakPolarHBondContact CB-SG 3.25Å; C526-C533 WeakPolarHBondContact SG-CB 3.4Å; C526-C533 CovalentContact SG-SG 2.01Å; C526-C533 PolarHBondContact SG-SG 3.31Å; C526-F536 HydrophobicContact CB-CD1 4.37Å; C526-F536 HydrophobicContact CB-CD2 4.17Å; C526-F536 HydrophobicContact CB-CE1 4.19Å; C526-F536 HydrophobicContact CB-CE2 3.97Å; C526-F536 HydrophobicContact CB-CG 4.39Å; C526-F536 HydrophobicContact CB-CZ 4Å; C526-F536 WeakPolarHBondContact O-CE2 3.33Å
527	F	94.6	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-86.4	-28.8	-176.8	-68.7	-13.7	0	0	0	113.8	L298 I301 I305 I523 M524 E525 F536 P554 I555 I570 L573 V574 L577	L298-F527 HydrophobicContact CD1-CB 4.06Å; L298-F527 HydrophobicContact CD2-CD2 4.19Å; I301-F527 HydrophobicContact CG2-CE2 3.94Å; I305-F527 HydrophobicContact CD1-CZ 4.49Å; I523-F527 HydrophobicContact CG2-CD2 3.78Å; I523-F527 HydrophobicContact CG2-CE1 4.34Å; I523-F527 HydrophobicContact CG2-CE2 3.44Å; I523-F527 VanDerWaalsContact CG2-CE2 3.44Å; I523-F527 HydrophobicContact CG2-CG 4.37Å; I523-F527 HydrophobicContact CG2-CZ 3.76Å; I523-F527 WeakPolarHBondContact O-CG 3.39Å; I523-F527 PolarHBondContact O-N 3.49Å; M524-F527 PolarHBondContact O-N 3.19Å; E525-F527 VanDerWaalsContact C-N 3.3Å; E525-F527 PolarHBondContact O-N 3.39Å; F527-F536 HydrophobicContact CD1-CE1 4.2Å; F527-F536 HydrophobicContact CD1-CE2 4.44Å; F527-F536 AromaticContact CD1-CZ 3.55Å; F527-F536 HydrophobicContact CD1-CZ 3.55Å; F527-F536 AromaticContact CE1-CE1 3.84Å; F527-F536 HydrophobicContact CE1-CE1 3.84Å; F527-F536 AromaticContact CE1-CZ 3.6Å; F527-F536 HydrophobicContact CE1-CZ 3.6Å; F527-P554 WeakPolarHBondContact O-CA 3.37Å; F527-I555 PolarHBondContact O-N 3.38Å; F527-I570 HydrophobicContact CD1-CD1 4.24Å; F527-I570 HydrophobicContact CD2-CD1 4.04Å; F527-I570 HydrophobicContact CE1-CD1 4.05Å; F527-I570 HydrophobicContact CE2-CD1 3.84Å; F527-I570 HydrophobicContact CG-CD1 4.23Å; F527-I570 HydrophobicContact CZ-CD1 3.84Å; F527-L573 HydrophobicContact CE1-CB 4.49Å; F527-V574 HydrophobicContact CZ-CG2 4.14Å; F527-L577 HydrophobicContact CE1-CD1 3.87Å; F527-L577 HydrophobicContact CZ-CD1 3.88Å
528	S	92.1	Very high	94.3	Very high	13 Å²	13	34.3 Å²	34.3	9%	0.091	18%	0.182	C	C	.	.	I	π-helix	trans	-122.4	-36.1	-169.9	-170.7	0	0	0	0	115.5	S294 T475 W477 M524	S294-S528 PolarHBondContact OG-OG 3.06Å; T475-S528 PolarHBondContact O-OG 3.13Å; W477-S528 WeakPolarHBondContact CB-OG 3.4Å; M524-S528 WeakPolarHBondContact O-CB 3.4Å; M524-S528 PolarHBondContact O-N 2.97Å
529	T	89	Confident	94.2	Very high	86 Å²	86	35.3 Å²	35.3	53%	0.528	19%	0.186	S	C	.	.	I	π-helix	trans	-113.8	-45.3	-167	58.7	0	0	0	0	113.2	W477 E525	W477-T529 WeakPolarHBondContact O-CG2 3.37Å; E525-T529 VanDerWaalsContact CA-OG1 3.29Å; E525-T529 WeakPolarHBondContact CA-OG1 3.32Å; E525-T529 WeakPolarHBondContact CG-OG1 3.49Å; E525-T529 PolarHBondContact O-N 3.41Å; E525-T529 PolarHBondContact O-OG1 3.23Å
530	N	92.1	Very high	94	Very high	67 Å²	67	31.8 Å²	31.8	36%	0.358	17%	0.171	S	C	.	.			trans	-131.6	89.9	-177.8	176.7	18.1	0	0	0	110.5	E525 G532 C533	E525-N530 HydrophobicContact CG-CB 3.83Å; E525-N530 CarbonylContact O-C 3.53Å; E525-N530 PolarHBondContact O-N 2.8Å; E525-N530 PolarHBondContact OE1-ND2 3.23Å; E525-N530 VanDerWaalsContact OE1-ND2 3.12Å; N530-G532 PolarHBondContact O-N 2.94Å; N530-G532 VanDerWaalsContact O-N 3.13Å; N530-G532 WeakPolarHBondContact OD1-CA 3.39Å; N530-G532 PolarHBondContact OD1-N 2.98Å; N530-G532 VanDerWaalsContact OD1-N 3.1Å; N530-C533 WeakPolarHBondContact O-CB 3.43Å; N530-C533 PolarHBondContact O-N 3.46Å; N530-C533 VanDerWaalsContact O-N 3.14Å
531	L	89.3	Confident	93.8	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.068	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.1	176.8	-57.3	-167.6	0	0	0	113.6	C526 C533 F536 V548 L551 T553 I555	C526-L531 WeakPolarHBondContact O-CD2 3.18Å; L531-C533 VanDerWaalsContact C-N 3.3Å; L531-F536 WeakPolarHBondContact O-CD2 3.12Å; L531-V548 HydrophobicContact CB-CG1 3.76Å; L531-V548 HydrophobicContact CD1-CG1 4.23Å; L531-V548 WeakPolarHBondContact CD1-O 3.46Å; L531-V548 HydrophobicContact CG-CG1 4.44Å; L531-L551 HydrophobicContact CD1-CB 3.55Å; L531-L551 VanDerWaalsContact CD1-O 3.3Å; L531-L551 WeakPolarHBondContact CD1-O 3.22Å; L531-T553 WeakPolarHBondContact CD1-O 3.18Å; L531-I555 HydrophobicContact CD1-CD1 4.01Å; L531-I555 HydrophobicContact CD2-CD1 3.72Å; L531-I555 HydrophobicContact CD2-CG1 3.76Å; L531-I555 HydrophobicContact CG-CD1 4.49Å
532	G	91.3	Very high	93.5	Very high	21 Å²	21	34 Å²	34	22%	0.216	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	21.7	172.5	0	0	0	0	0	113.8	N530 Y545	N530-G532 PolarHBondContact O-N 2.94Å; N530-G532 VanDerWaalsContact O-N 3.13Å; N530-G532 WeakPolarHBondContact OD1-CA 3.39Å; N530-G532 PolarHBondContact OD1-N 2.98Å; N530-G532 VanDerWaalsContact OD1-N 3.1Å; G532-Y545 PolarHBondContact O-OH 3.14Å; G532-Y545 VanDerWaalsContact O-OH 3.14Å
533	C	93.9	Very high	93.2	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.047	20%	0.197	C	C	.	.			trans	-64.7	162.5	-176.6	73.8	0	0	0	0	113.6	C526 N530 L531 L535 F536 K537	C526-C533 VanDerWaalsContact CA-SG 3.57Å; C526-C533 HydrophobicContact CB-CB 4.06Å; C526-C533 WeakPolarHBondContact CB-SG 3.25Å; C526-C533 WeakPolarHBondContact SG-CB 3.4Å; C526-C533 CovalentContact SG-SG 2.01Å; C526-C533 PolarHBondContact SG-SG 3.31Å; N530-C533 WeakPolarHBondContact O-CB 3.43Å; N530-C533 PolarHBondContact O-N 3.46Å; N530-C533 VanDerWaalsContact O-N 3.14Å; L531-C533 VanDerWaalsContact C-N 3.3Å; C533-L535 PolarHBondContact O-N 3.32Å; C533-F536 PolarHBondContact O-N 2.91Å; C533-F536 PolarHBondContact SG-N 3.12Å; C533-K537 WeakPolarHBondContact O-CB 3.34Å; C533-K537 PolarHBondContact O-N 2.63Å
534	D	92.9	Very high	92.8	Very high	114 Å²	114	37.9 Å²	37.9	61%	0.61	21%	0.209	S	C	*	.	H	α-helix	trans	-65.3	-34.8	-178.4	-73.4	-33.6	0	0	0	113.5	K537 M538	D534-K537 PolarHBondContact O-N 3.13Å; D534-M538 VanDerWaalsContact O-CB 3.26Å; D534-M538 WeakPolarHBondContact O-CB 3.5Å; D534-M538 PolarHBondContact O-N 3.36Å
535	L	94.3	Very high	92.6	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-48.6	176.2	-85.9	152.3	0	0	0	111.4	Y517 P518 D522 I523 C533 M538 Y539 L577 L581	Y517-L535 WeakPolarHBondContact OH-CG 3.3Å; P518-L535 HydrophobicContact CB-CD1 4.36Å; P518-L535 HydrophobicContact CB-CD2 4.49Å; D522-L535 HydrophobicContact CB-CD1 4Å; I523-L535 HydrophobicContact CG1-CD1 4.41Å; C533-L535 PolarHBondContact O-N 3.32Å; L535-M538 PolarHBondContact O-N 2.95Å; L535-Y539 HydrophobicContact CD2-CD2 4.48Å; L535-Y539 HydrophobicContact CD2-CE2 4.18Å; L535-Y539 VanDerWaalsContact O-CD2 3.3Å; L535-Y539 WeakPolarHBondContact O-CD2 3.29Å; L535-Y539 PolarHBondContact O-N 2.92Å; L535-L577 HydrophobicContact CB-CD2 4.28Å; L535-L577 HydrophobicContact CD2-CD2 4.25Å; L535-L581 HydrophobicContact CD2-CD1 4.21Å; L535-L581 HydrophobicContact CD2-CD2 3.92Å; L535-L581 HydrophobicContact CD2-CG 4.47Å
536	F	94.8	Very high	92.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-41.6	177.6	-77.2	-8.3	0	0	0	112.2	C526 F527 L531 C533 M538 Y539 L540 Y545 V548 I555 L573 L577	C526-F536 HydrophobicContact CB-CD1 4.37Å; C526-F536 HydrophobicContact CB-CD2 4.17Å; C526-F536 HydrophobicContact CB-CE1 4.19Å; C526-F536 HydrophobicContact CB-CE2 3.97Å; C526-F536 HydrophobicContact CB-CG 4.39Å; C526-F536 HydrophobicContact CB-CZ 4Å; C526-F536 WeakPolarHBondContact O-CE2 3.33Å; F527-F536 HydrophobicContact CD1-CE1 4.2Å; F527-F536 HydrophobicContact CD1-CE2 4.44Å; F527-F536 AromaticContact CD1-CZ 3.55Å; F527-F536 HydrophobicContact CD1-CZ 3.55Å; F527-F536 AromaticContact CE1-CE1 3.84Å; F527-F536 HydrophobicContact CE1-CE1 3.84Å; F527-F536 AromaticContact CE1-CZ 3.6Å; F527-F536 HydrophobicContact CE1-CZ 3.6Å; L531-F536 WeakPolarHBondContact O-CD2 3.12Å; C533-F536 PolarHBondContact O-N 2.91Å; C533-F536 PolarHBondContact SG-N 3.12Å; F536-M538 PolarHBondContact O-N 3.48Å; F536-Y539 PolarHBondContact O-N 3.11Å; F536-L540 HydrophobicContact CB-CD1 3.74Å; F536-L540 HydrophobicContact CB-CG 4.22Å; F536-L540 HydrophobicContact CD1-CD1 4.1Å; F536-L540 HydrophobicContact CD1-CG 4.4Å; F536-L540 HydrophobicContact CD2-CD1 4.28Å; F536-L540 HydrophobicContact CG-CD1 3.81Å; F536-L540 HydrophobicContact CG-CG 4.45Å; F536-L540 VanDerWaalsContact O-CB 3.22Å; F536-L540 WeakPolarHBondContact O-CB 3.5Å; F536-L540 WeakPolarHBondContact O-CG 3.48Å; F536-L540 PolarHBondContact O-N 2.74Å; F536-Y545 HydrophobicContact CB-CD2 4.09Å; F536-Y545 HydrophobicContact CB-CE2 4.2Å; F536-V548 HydrophobicContact CD2-CG1 3.81Å; F536-V548 HydrophobicContact CE2-CG1 3.86Å; F536-I555 HydrophobicContact CE2-CG1 4.47Å; F536-L573 HydrophobicContact CE1-CD2 4.23Å; F536-L573 HydrophobicContact CZ-CD1 3.97Å; F536-L573 HydrophobicContact CZ-CD2 4.25Å; F536-L577 HydrophobicContact CD1-CD2 4.24Å; F536-L577 HydrophobicContact CE1-CD1 4.01Å; F536-L577 HydrophobicContact CE1-CD2 4.39Å; F536-L577 HydrophobicContact CE1-CG 4.36Å
537	K	94.5	Very high	92	Very high	116 Å²	116	43.1 Å²	43.1	50%	0.504	23%	0.228	S	C	.	.	H	α-helix	trans	-59.2	-34.2	174.8	-174.8	-179.4	174.9	-174.1	0	112.6	C533 D534 Y545	C533-K537 WeakPolarHBondContact O-CB 3.34Å; C533-K537 PolarHBondContact O-N 2.63Å; D534-K537 PolarHBondContact O-N 3.13Å; K537-Y545 HydrophobicContact CB-CD2 4.31Å; K537-Y545 HydrophobicContact CB-CE2 3.68Å; K537-Y545 HydrophobicContact CG-CE1 4.4Å; K537-Y545 HydrophobicContact CG-CE2 4.42Å
538	M	94.5	Very high	91.6	Very high	47 Å²	47	43.1 Å²	43.1	23%	0.232	23%	0.228	C	C	.	.	H	α-helix	trans	-76.5	-40.6	-176.8	-163.3	172.6	-58	0	0	112.2	D534 L535 F536 F607 N608	D534-M538 VanDerWaalsContact O-CB 3.26Å; D534-M538 WeakPolarHBondContact O-CB 3.5Å; D534-M538 PolarHBondContact O-N 3.36Å; L535-M538 PolarHBondContact O-N 2.95Å; F536-M538 PolarHBondContact O-N 3.48Å; M538-F607 HydrophobicContact CG-CD2 3.98Å; M538-F607 HydrophobicContact CG-CE2 3.69Å; M538-F607 HydrophobicContact CG-CZ 4.35Å; M538-F607 CarbonylContact O-C 3.53Å; M538-F607 VanDerWaalsContact O-CA 3.23Å; M538-F607 WeakPolarHBondContact O-CA 3.32Å; M538-F607 HydrophobicContact SD-CD2 4.5Å; M538-F607 HydrophobicContact SD-CE2 3.67Å; M538-F607 HydrophobicContact SD-CZ 4.19Å; M538-N608 PolarHBondContact O-N 2.88Å
539	Y	95.1	Very high	91.4	Very high	22 Å²	22	46.9 Å²	46.9	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-111.7	-20.1	-168.5	-61.8	-64	0	0	0	116	L535 F536 I576 L577 G580 L581 F607	L535-Y539 HydrophobicContact CD2-CD2 4.48Å; L535-Y539 HydrophobicContact CD2-CE2 4.18Å; L535-Y539 VanDerWaalsContact O-CD2 3.3Å; L535-Y539 WeakPolarHBondContact O-CD2 3.29Å; L535-Y539 PolarHBondContact O-N 2.92Å; F536-Y539 PolarHBondContact O-N 3.11Å; Y539-I576 VanDerWaalsContact O-CG2 3.31Å; Y539-I576 WeakPolarHBondContact O-CG2 3.38Å; Y539-L577 HydrophobicContact CD2-CD2 4.14Å; Y539-G580 VanDerWaalsContact CD1-CA 3.46Å; Y539-G580 WeakPolarHBondContact CE1-O 3.37Å; Y539-G580 VanDerWaalsContact CZ-O 3.3Å; Y539-G580 PolarHBondContact OH-O 3.31Å; Y539-L581 HydrophobicContact CE2-CD2 3.8Å; Y539-L581 HydrophobicContact CE2-CG 4.01Å; Y539-F607 HydrophobicContact CD1-CD2 4.41Å; Y539-F607 AromaticContact CE1-CD2 3.98Å; Y539-F607 HydrophobicContact CE1-CD2 3.98Å; Y539-F607 HydrophobicContact CE1-CE2 4.29Å
540	L	93.3	Very high	91.1	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	25%	0.253	C	S	.	.	S	Bend	trans	-78.9	154.4	177.1	-62.6	-178.5	0	0	0	111.8	F536 D544 V548 L573 I576	F536-L540 HydrophobicContact CB-CD1 3.74Å; F536-L540 HydrophobicContact CB-CG 4.22Å; F536-L540 HydrophobicContact CD1-CD1 4.1Å; F536-L540 HydrophobicContact CD1-CG 4.4Å; F536-L540 HydrophobicContact CD2-CD1 4.28Å; F536-L540 HydrophobicContact CG-CD1 3.81Å; F536-L540 HydrophobicContact CG-CG 4.45Å; F536-L540 VanDerWaalsContact O-CB 3.22Å; F536-L540 WeakPolarHBondContact O-CB 3.5Å; F536-L540 WeakPolarHBondContact O-CG 3.48Å; F536-L540 PolarHBondContact O-N 2.74Å; L540-D544 HydrophobicContact CB-CB 4.35Å; L540-V548 HydrophobicContact CD1-CG2 4.2Å; L540-L573 HydrophobicContact CD1-CD2 3.9Å; L540-L573 HydrophobicContact CD2-CD2 3.53Å; L540-L573 HydrophobicContact CG-CD2 4.35Å; L540-I576 HydrophobicContact CD2-CB 4.44Å; L540-I576 HydrophobicContact CD2-CD1 3.79Å; L540-I576 HydrophobicContact CD2-CG2 4.05Å
541	S	91.9	Very high	90.6	Very high	11 Å²	11	47.7 Å²	47.7	8%	0.077	24%	0.243	C	C	.	.			trans	-61.2	150.9	167.8	81.4	0	0	0	0	109.7	V543 D544 Y545 Y606	S541-V543 PolarHBondContact O-N 2.98Å; S541-V543 PolarHBondContact OG-N 2.88Å; S541-D544 WeakPolarHBondContact CB-OD2 3.31Å; S541-D544 PolarHBondContact O-N 3.07Å; S541-D544 WeakPolarHBondContact OG-CB 3.31Å; S541-D544 PolarHBondContact OG-N 2.95Å; S541-D544 PolarHBondContact OG-OD2 2.84Å; S541-Y545 WeakPolarHBondContact O-CB 3.39Å; S541-Y545 PolarHBondContact O-N 2.78Å; S541-Y606 VanDerWaalsContact CB-CE2 3.42Å
542	P	91.6	Very high	90	Very high	61 Å²	61	54.8 Å²	54.8	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-56.6	-24.2	177.2	-26.4	34.7	0	0	0	113.8	K546	P542-K546 VanDerWaalsContact O-CG 3.32Å; P542-K546 WeakPolarHBondContact O-CG 3.31Å; P542-K546 PolarHBondContact O-N 2.74Å
543	V	89.6	Confident	89.7	Confident	79 Å²	79	56.1 Å²	56.1	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-81	-50.4	-179.9	-177.4	0	0	0	0	110.4	S541 Y545 K546 Y547 H566	S541-V543 PolarHBondContact O-N 2.98Å; S541-V543 PolarHBondContact OG-N 2.88Å; V543-Y545 VanDerWaalsContact C-N 3.32Å; V543-Y545 PolarHBondContact O-N 2.97Å; V543-K546 PolarHBondContact O-N 3.39Å; V543-Y547 PolarHBondContact O-N 3.21Å; V543-H566 WeakPolarHBondContact CG1-NE2 3.21Å
544	D	89.2	Confident	89.4	Confident	45 Å²	45	56.3 Å²	56.3	24%	0.241	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-39	177.4	-63.9	-47.5	0	0	0	111.5	L540 S541 K546 Y547 V548	L540-D544 HydrophobicContact CB-CB 4.35Å; S541-D544 WeakPolarHBondContact CB-OD2 3.31Å; S541-D544 PolarHBondContact O-N 3.07Å; S541-D544 WeakPolarHBondContact OG-CB 3.31Å; S541-D544 PolarHBondContact OG-N 2.95Å; S541-D544 PolarHBondContact OG-OD2 2.84Å; D544-K546 PolarHBondContact O-N 3.35Å; D544-Y547 PolarHBondContact O-N 2.82Å; D544-V548 WeakPolarHBondContact O-CB 3.47Å; D544-V548 WeakPolarHBondContact O-CG2 3.44Å; D544-V548 PolarHBondContact O-N 2.79Å
545	Y	91.5	Very high	89.3	Confident	37 Å²	37	50.9 Å²	50.9	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-46.4	176	-179.2	-110.7	0	0	0	111.6	G532 F536 K537 S541 V543 Y547 V548 Q549	G532-Y545 PolarHBondContact O-OH 3.14Å; G532-Y545 VanDerWaalsContact O-OH 3.14Å; F536-Y545 HydrophobicContact CB-CD2 4.09Å; F536-Y545 HydrophobicContact CB-CE2 4.2Å; K537-Y545 HydrophobicContact CB-CD2 4.31Å; K537-Y545 HydrophobicContact CB-CE2 3.68Å; K537-Y545 HydrophobicContact CG-CE1 4.4Å; K537-Y545 HydrophobicContact CG-CE2 4.42Å; S541-Y545 WeakPolarHBondContact O-CB 3.39Å; S541-Y545 PolarHBondContact O-N 2.78Å; V543-Y545 VanDerWaalsContact C-N 3.32Å; V543-Y545 PolarHBondContact O-N 2.97Å; Y545-Y547 VanDerWaalsContact C-N 3.34Å; Y545-Y547 PolarHBondContact O-N 2.86Å; Y545-V548 PolarHBondContact O-N 3.07Å; Y545-Q549 HydrophobicContact CE1-CG 4.22Å; Y545-Q549 VanDerWaalsContact CE1-NE2 3.34Å; Y545-Q549 HydrophobicContact CE2-CG 4.27Å; Y545-Q549 VanDerWaalsContact CZ-NE2 3.26Å; Y545-Q549 WeakPolarHBondContact O-CB 3.46Å; Y545-Q549 VanDerWaalsContact O-CG 3.28Å; Y545-Q549 WeakPolarHBondContact O-CG 3.2Å; Y545-Q549 PolarHBondContact O-N 2.74Å; Y545-Q549 PolarHBondContact OH-NE2 3.48Å
546	K	89.6	Confident	89.1	Confident	131 Å²	131	50.7 Å²	50.7	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-62.8	-40.6	175.4	-77.6	177.3	-178.8	179.7	0	112	P542 V543 D544 Q549 M550	P542-K546 VanDerWaalsContact O-CG 3.32Å; P542-K546 WeakPolarHBondContact O-CG 3.31Å; P542-K546 PolarHBondContact O-N 2.74Å; V543-K546 PolarHBondContact O-N 3.39Å; D544-K546 PolarHBondContact O-N 3.35Å; K546-Q549 PolarHBondContact O-N 2.97Å; K546-M550 WeakPolarHBondContact O-CG 3.35Å; K546-M550 PolarHBondContact O-N 2.9Å
547	Y	86.7	Confident	88.9	Confident	26 Å²	26	50.8 Å²	50.8	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-48.6	177.3	174.3	-96.2	0	0	0	111.3	V543 D544 Y545 Q549 M550 L551 L563 H566 T568	V543-Y547 PolarHBondContact O-N 3.21Å; D544-Y547 PolarHBondContact O-N 2.82Å; Y545-Y547 VanDerWaalsContact C-N 3.34Å; Y545-Y547 PolarHBondContact O-N 2.86Å; Y547-Q549 VanDerWaalsContact C-N 3.32Å; Y547-Q549 PolarHBondContact O-N 3.47Å; Y547-M550 WeakPolarHBondContact O-CB 3.35Å; Y547-M550 PolarHBondContact O-N 2.8Å; Y547-L551 HydrophobicContact CE1-CD1 4.1Å; Y547-L551 HydrophobicContact CE1-CD2 4.46Å; Y547-L551 HydrophobicContact CE1-CG 4.44Å; Y547-L551 PolarHBondContact O-N 3.48Å; Y547-L563 HydrophobicContact CE2-CB 4.29Å; Y547-H566 HydrophobicContact CD2-CB 3.88Å; Y547-H566 HydrophobicContact CE2-CB 4.11Å; Y547-H566 HydrophobicContact CG-CB 4.2Å; Y547-T568 WeakPolarHBondContact CD1-OG1 3.48Å
548	V	87.5	Confident	88.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-40.3	178.6	167.6	0	0	0	0	111.1	L531 F536 L540 D544 Y545 M550 L551 I555 T568 L573	L531-V548 HydrophobicContact CB-CG1 3.76Å; L531-V548 HydrophobicContact CD1-CG1 4.23Å; L531-V548 WeakPolarHBondContact CD1-O 3.46Å; L531-V548 HydrophobicContact CG-CG1 4.44Å; F536-V548 HydrophobicContact CD2-CG1 3.81Å; F536-V548 HydrophobicContact CE2-CG1 3.86Å; L540-V548 HydrophobicContact CD1-CG2 4.2Å; D544-V548 WeakPolarHBondContact O-CB 3.47Å; D544-V548 WeakPolarHBondContact O-CG2 3.44Å; D544-V548 PolarHBondContact O-N 2.79Å; Y545-V548 PolarHBondContact O-N 3.07Å; V548-M550 PolarHBondContact O-N 2.91Å; V548-L551 WeakPolarHBondContact O-CB 3.35Å; V548-L551 PolarHBondContact O-N 2.94Å; V548-L551 VanDerWaalsContact O-N 3.13Å; V548-I555 HydrophobicContact CG1-CD1 3.98Å; V548-T568 HydrophobicContact CG2-CG2 3.85Å; V548-L573 HydrophobicContact CG2-CD2 4.48Å
549	Q	86.9	Confident	87.9	Confident	92 Å²	92	43.4 Å²	43.4	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-63.3	-25.3	173.9	-74	-175.5	-46.4	0	0	114.5	Y545 K546 Y547 L551	Y545-Q549 HydrophobicContact CE1-CG 4.22Å; Y545-Q549 VanDerWaalsContact CE1-NE2 3.34Å; Y545-Q549 HydrophobicContact CE2-CG 4.27Å; Y545-Q549 VanDerWaalsContact CZ-NE2 3.26Å; Y545-Q549 WeakPolarHBondContact O-CB 3.46Å; Y545-Q549 VanDerWaalsContact O-CG 3.28Å; Y545-Q549 WeakPolarHBondContact O-CG 3.2Å; Y545-Q549 PolarHBondContact O-N 2.74Å; Y545-Q549 PolarHBondContact OH-NE2 3.48Å; K546-Q549 PolarHBondContact O-N 2.97Å; Y547-Q549 VanDerWaalsContact C-N 3.32Å; Y547-Q549 PolarHBondContact O-N 3.47Å; Q549-L551 VanDerWaalsContact C-N 3.31Å
550	M	83.6	Confident	87.1	Confident	145 Å²	145	42.5 Å²	42.5	71%	0.714	21%	0.212	S	C	*	.	H	α-helix	trans	-76.9	-20.8	176.8	-69.4	176.8	-161.7	0	0	112.4	K546 Y547 V548 K552	K546-M550 WeakPolarHBondContact O-CG 3.35Å; K546-M550 PolarHBondContact O-N 2.9Å; Y547-M550 WeakPolarHBondContact O-CB 3.35Å; Y547-M550 PolarHBondContact O-N 2.8Å; V548-M550 PolarHBondContact O-N 2.91Å; M550-K552 PolarHBondContact O-N 2.96Å
551	L	80	Confident	86.1	Confident	25 Å²	25	43 Å²	43	13%	0.131	22%	0.215	C	C	.	.			trans	-68.7	121.4	173.4	-58.2	173.4	0	0	0	107.8	L531 Y547 V548 Q549 T553 I555	L531-L551 HydrophobicContact CD1-CB 3.55Å; L531-L551 VanDerWaalsContact CD1-O 3.3Å; L531-L551 WeakPolarHBondContact CD1-O 3.22Å; Y547-L551 HydrophobicContact CE1-CD1 4.1Å; Y547-L551 HydrophobicContact CE1-CD2 4.46Å; Y547-L551 HydrophobicContact CE1-CG 4.44Å; Y547-L551 PolarHBondContact O-N 3.48Å; V548-L551 WeakPolarHBondContact O-CB 3.35Å; V548-L551 PolarHBondContact O-N 2.94Å; V548-L551 VanDerWaalsContact O-N 3.13Å; Q549-L551 VanDerWaalsContact C-N 3.31Å; L551-T553 VanDerWaalsContact C-N 3.31Å; L551-I555 HydrophobicContact CD1-CD1 4.13Å
552	K	77.6	Confident	84.9	Confident	162 Å²	162	44.4 Å²	44.4	70%	0.704	22%	0.224	S	C	*	.			trans	-92.8	3.8	177	-66.4	-174.6	177.8	-178.4	0	113	M550	M550-K552 PolarHBondContact O-N 2.96Å
553	T	84	Confident	83.5	Confident	50 Å²	50	43.5 Å²	43.5	31%	0.307	22%	0.215	S	C	.	.	S	Bend	trans	-120.9	162.1	-176.8	57.1	0	0	0	0	108.8	F292 L531 L551	F292-T553 HydrophobicContact CZ-CG2 4.09Å; L531-T553 WeakPolarHBondContact CD1-O 3.18Å; L551-T553 VanDerWaalsContact C-N 3.31Å
554	P	88.5	Confident	82.5	Confident	10 Å²	10	43.1 Å²	43.1	7%	0.065	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-49.9	157.6	169.9	-26.1	34.4	0	0	0	112.4	F292 T475 F527 P556	F292-P554 HydrophobicContact CB-CB 4.24Å; F292-P554 HydrophobicContact CD1-CB 3.88Å; F292-P554 HydrophobicContact CD1-CG 4.38Å; F292-P554 WeakPolarHBondContact CD1-O 3.38Å; F292-P554 WeakPolarHBondContact CE1-O 3.47Å; F292-P554 HydrophobicContact CG-CB 4.22Å; F292-P554 HydrophobicContact CG-CG 4.46Å; T475-P554 WeakPolarHBondContact O-CG 3.34Å; F527-P554 WeakPolarHBondContact O-CA 3.37Å; P554-P556 WeakPolarHBondContact O-CD 3.26Å
555	I	90.4	Very high	81.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-61.6	121.6	172	-61	-56.9	0	0	0	108.5	F527 L531 F536 V548 L551 A557 I570 L573	F527-I555 PolarHBondContact O-N 3.38Å; L531-I555 HydrophobicContact CD1-CD1 4.01Å; L531-I555 HydrophobicContact CD2-CD1 3.72Å; L531-I555 HydrophobicContact CD2-CG1 3.76Å; L531-I555 HydrophobicContact CG-CD1 4.49Å; F536-I555 HydrophobicContact CE2-CG1 4.47Å; V548-I555 HydrophobicContact CG1-CD1 3.98Å; L551-I555 HydrophobicContact CD1-CD1 4.13Å; I555-A557 PolarHBondContact O-N 3.27Å; I555-I570 HydrophobicContact CG2-CB 4.3Å; I555-I570 HydrophobicContact CG2-CD1 3.9Å; I555-L573 HydrophobicContact CB-CD1 4.47Å; I555-L573 HydrophobicContact CD1-CD1 3.96Å; I555-L573 HydrophobicContact CG1-CD1 3.99Å; I555-L573 HydrophobicContact CG2-CD1 3.67Å
556	P	90	Very high	79.9	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.019	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-68.6	125.4	175.9	27.7	-32.8	0	0	0	110.2	G291 F292 P554 Q558 Y560	G291-P556 CarbonylContact O-C 3.58Å; G291-P556 WeakPolarHBondContact O-CA 3.4Å; F292-P556 HydrophobicContact CD1-CB 4.28Å; F292-P556 HydrophobicContact CE1-CB 4.45Å; P554-P556 WeakPolarHBondContact O-CD 3.26Å; P556-Q558 VanDerWaalsContact C-N 3.28Å; P556-Y560 HydrophobicContact CB-CD1 4.46Å; P556-Y560 HydrophobicContact CG-CD1 3.94Å; P556-Y560 HydrophobicContact CG-CE1 3.58Å
557	A	91.2	Very high	79	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.008	25%	0.249	C	C	.	.			trans	-73.8	-17.9	169.2	0	0	0	0	0	112.8	M281 D282 S283 G291 F292 I555 I570	M281-A557 WeakPolarHBondContact O-CB 3.32Å; D282-A557 VanDerWaalsContact CA-O 3.25Å; D282-A557 WeakPolarHBondContact CA-O 3.38Å; S283-A557 PolarHBondContact N-O 3.29Å; G291-A557 WeakPolarHBondContact O-CA 3.43Å; G291-A557 PolarHBondContact O-N 2.93Å; F292-A557 WeakPolarHBondContact O-CB 3.13Å; I555-A557 PolarHBondContact O-N 3.27Å; A557-I570 HydrophobicContact CB-CG2 4.43Å
558	Q	89.3	Confident	78.4	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.019	25%	0.247	C	C	.	.	S	Bend	trans	-73.6	146.4	177.5	176.8	-178.5	45.3	0	0	112.8	S283 S285 F287 G291 Y336 P556 Y560	S283-Q558 VanDerWaalsContact O-CA 3.3Å; S283-Q558 WeakPolarHBondContact O-CA 3.28Å; S283-Q558 WeakPolarHBondContact O-CB 3.4Å; S285-Q558 VanDerWaalsContact N-NE2 3.17Å; S285-Q558 PolarHBondContact O-NE2 2.81Å; F287-Q558 PolarHBondContact O-OE1 2.9Å; G291-Q558 PolarHBondContact O-N 3.27Å; Y336-Q558 PolarHBondContact OH-NE2 3.37Å; P556-Q558 VanDerWaalsContact C-N 3.28Å; Q558-Y560 VanDerWaalsContact O-CD1 3.29Å; Q558-Y560 WeakPolarHBondContact O-CD1 3.03Å
559	T	77.7	Confident	78.3	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.031	25%	0.248	C	C	.	.			trans	-70.6	128.6	164.9	-172.1	0	0	0	0	112.8	L240 T241 Y336	L240-T559 HydrophobicContact CB-CG2 4.33Å; L240-T559 HydrophobicContact CD1-CG2 4.26Å; L240-T559 HydrophobicContact CD2-CG2 3.94Å; L240-T559 HydrophobicContact CG-CG2 4.41Å; T241-T559 PolarHBondContact O-OG1 3.33Å; Y336-T559 HydrophobicContact CE2-CG2 3.85Å
560	Y	78.9	Confident	78.5	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.008	23%	0.228	C	C	.	.			trans	-142.7	166.6	-171.4	68.4	-94.3	0	0	0	112.8	R289 P556 Q558 E567 T568 R639	R289-Y560 HydrophobicContact CG-CD1 4.32Å; R289-Y560 HydrophobicContact CG-CD2 3.39Å; R289-Y560 HydrophobicContact CG-CE2 3.84Å; R289-Y560 HydrophobicContact CG-CG 3.69Å; P556-Y560 HydrophobicContact CB-CD1 4.46Å; P556-Y560 HydrophobicContact CG-CD1 3.94Å; P556-Y560 HydrophobicContact CG-CE1 3.58Å; Q558-Y560 VanDerWaalsContact O-CD1 3.29Å; Q558-Y560 WeakPolarHBondContact O-CD1 3.03Å; Y560-E567 VanDerWaalsContact O-OE1 3.12Å; Y560-T568 PolarHBondContact OH-N 2.81Å; Y560-T568 PolarHBondContact OH-O 3.41Å; Y560-R639 PolarHBondContact O-NH1 3.49Å
561	L	71.3	Confident	79	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.073	19%	0.194	C	C	.	.			trans	-76.3	137.4	178	-83	156	0	0	0	111.9	T43 E288 L563 R639 E642	T43-L561 HydrophobicContact CG2-CD1 4.48Å; E288-L561 VanDerWaalsContact OE1-CD1 3.26Å; E288-L561 WeakPolarHBondContact OE1-CD1 3.24Å; L561-L563 PolarHBondContact O-N 3.27Å; L561-R639 VanDerWaalsContact CA-NH1 3.32Å; L561-E642 HydrophobicContact CD1-CG 4.09Å; L561-E642 WeakPolarHBondContact CD1-OE1 3.48Å
562	P	67.7	Low	79.5	Confident	40 Å²	40	36.3 Å²	36.3	26%	0.26	20%	0.201	S	C	.	.			trans	-49.8	141.7	175.2	-12.1	13.7	0	0	0	111.8	E567	P562-E567 HydrophobicContact CB-CB 3.92Å; P562-E567 HydrophobicContact CG-CB 4.02Å; P562-E567 HydrophobicContact CG-CG 4.33Å
563	L	63.2	Low	80.3	Confident	42 Å²	42	28.6 Å²	28.6	22%	0.22	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-89.4	107.6	165.7	-87.7	164.4	0	0	0	108	R289 Y547 L561 L565 H566	R289-L563 VanDerWaalsContact CD-CD1 3.42Å; Y547-L563 HydrophobicContact CE2-CB 4.29Å; L561-L563 PolarHBondContact O-N 3.27Å; L563-L565 PolarHBondContact O-N 3.05Å; L563-H566 PolarHBondContact N-O 3.48Å; L563-H566 PolarHBondContact O-N 3.13Å
564	G	67.1	Low	80.8	Confident	71 Å²	71	26.2 Å²	26.2	73%	0.732	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	-120.7	-172.6	0	0	0	0	0	110.7
565	L	61.3	Low	81.2	Confident	166 Å²	166	26.2 Å²	26.2	87%	0.869	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	3.5	-176.8	-66.3	171.8	0	0	0	114	L563	L563-L565 PolarHBondContact O-N 3.05Å
566	H	66.3	Low	81.4	Confident	64 Å²	64	28.3 Å²	28.3	30%	0.296	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-124	128.9	-168.4	-65.3	49	0	0	0	111.8	V543 Y547 L563	V543-H566 WeakPolarHBondContact CG1-NE2 3.21Å; Y547-H566 HydrophobicContact CD2-CB 3.88Å; Y547-H566 HydrophobicContact CE2-CB 4.11Å; Y547-H566 HydrophobicContact CG-CB 4.2Å; L563-H566 PolarHBondContact N-O 3.48Å; L563-H566 PolarHBondContact O-N 3.13Å
567	E	69.4	Low	81.6	Confident	53 Å²	53	28.2 Å²	28.2	25%	0.248	16%	0.163	C	C	.	.			trans	-132.8	96.5	179.4	-170.3	180	-177.9	0	0	110.2	Y560 P562 K569 H572	Y560-E567 VanDerWaalsContact O-OE1 3.12Å; P562-E567 HydrophobicContact CB-CB 3.92Å; P562-E567 HydrophobicContact CG-CB 4.02Å; P562-E567 HydrophobicContact CG-CG 4.33Å; E567-K569 HydrophobicContact CG-CG 4.39Å; E567-K569 WeakPolarHBondContact OE1-CE 3.32Å; E567-K569 IonicContact OE1-NZ 2.87Å; E567-K569 PolarHBondContact OE1-NZ 3.41Å; E567-H572 PolarHBondContact O-ND1 3.14Å
568	T	75.3	Confident	81.9	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.043	16%	0.163	C	C	.	.			trans	-107.4	97.9	178.8	-44.9	0	0	0	0	110.9	Y547 V548 Y560 L573	Y547-T568 WeakPolarHBondContact CD1-OG1 3.48Å; V548-T568 HydrophobicContact CG2-CG2 3.85Å; Y560-T568 PolarHBondContact OH-N 2.81Å; Y560-T568 PolarHBondContact OH-O 3.41Å; T568-L573 HydrophobicContact CG2-CD1 4.05Å; T568-L573 HydrophobicContact CG2-CD2 3.47Å; T568-L573 VanDerWaalsContact CG2-CD2 3.47Å; T568-L573 HydrophobicContact CG2-CG 3.68Å
569	K	84	Confident	82.1	Confident	6 Å²	6	28.6 Å²	28.6	3%	0.026	17%	0.165	C	C	.	.			trans	-87.2	161.2	178.2	-65.8	177.9	-177	159.5	0	112.1	T241 E567 S571 H572 L573	T241-K569 VanDerWaalsContact C-NZ 3.27Å; T241-K569 PolarHBondContact O-NZ 3.48Å; T241-K569 PolarHBondContact OG1-NZ 3.29Å; E567-K569 HydrophobicContact CG-CG 4.39Å; E567-K569 WeakPolarHBondContact OE1-CE 3.32Å; E567-K569 IonicContact OE1-NZ 2.87Å; E567-K569 PolarHBondContact OE1-NZ 3.41Å; K569-S571 VanDerWaalsContact C-N 3.25Å; K569-S571 PolarHBondContact O-N 3.46Å; K569-H572 PolarHBondContact O-N 3.26Å; K569-L573 WeakPolarHBondContact O-CG 3.42Å; K569-L573 PolarHBondContact O-N 3.46Å
570	I	91.6	Very high	82.9	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-54.2	-43.4	168.8	-166.5	61.6	0	0	0	111.8	M281 L298 I301 F527 I555 A557 H572 L573 V574	M281-I570 HydrophobicContact CB-CG2 4.37Å; M281-I570 WeakPolarHBondContact O-CG2 3.34Å; L298-I570 HydrophobicContact CD2-CD1 3.84Å; L298-I570 HydrophobicContact CD2-CG1 4.18Å; I301-I570 HydrophobicContact CD1-CD1 4.45Å; I301-I570 HydrophobicContact CD1-CG1 3.82Å; F527-I570 HydrophobicContact CD1-CD1 4.24Å; F527-I570 HydrophobicContact CD2-CD1 4.04Å; F527-I570 HydrophobicContact CE1-CD1 4.05Å; F527-I570 HydrophobicContact CE2-CD1 3.84Å; F527-I570 HydrophobicContact CG-CD1 4.23Å; F527-I570 HydrophobicContact CZ-CD1 3.84Å; I555-I570 HydrophobicContact CG2-CB 4.3Å; I555-I570 HydrophobicContact CG2-CD1 3.9Å; A557-I570 HydrophobicContact CB-CG2 4.43Å; I570-H572 PolarHBondContact O-N 3.1Å; I570-L573 PolarHBondContact O-N 3.39Å; I570-V574 HydrophobicContact CD1-CG2 4.37Å; I570-V574 HydrophobicContact CG1-CG2 4.2Å; I570-V574 WeakPolarHBondContact O-CB 2.9Å; I570-V574 VanDerWaalsContact O-CG2 3.23Å; I570-V574 WeakPolarHBondContact O-CG2 3.34Å; I570-V574 PolarHBondContact O-N 3.41Å
571	S	93.3	Very high	83.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.2	-36.4	-179.7	50.3	0	0	0	0	112.9	I245 D332 K569 S575	I245-S571 WeakPolarHBondContact CD1-O 3.47Å; D332-S571 WeakPolarHBondContact OD2-CB 3.08Å; D332-S571 PolarHBondContact OD2-OG 3.28Å; K569-S571 VanDerWaalsContact C-N 3.25Å; K569-S571 PolarHBondContact O-N 3.46Å; S571-S575 WeakPolarHBondContact O-CB 3.24Å; S571-S575 PolarHBondContact O-N 3.07Å; S571-S575 PolarHBondContact O-OG 2.98Å
572	H	91.4	Very high	84.6	Confident	61 Å²	61	30.5 Å²	30.5	28%	0.282	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-48.3	170.5	-64.8	148.4	0	0	0	111.4	E567 K569 I570 V574 S575 I576	E567-H572 PolarHBondContact O-ND1 3.14Å; K569-H572 PolarHBondContact O-N 3.26Å; I570-H572 PolarHBondContact O-N 3.1Å; H572-V574 PolarHBondContact O-N 3.43Å; H572-S575 PolarHBondContact O-N 3.01Å; H572-S575 PolarHBondContact O-OG 3.46Å; H572-I576 WeakPolarHBondContact O-CG1 3.49Å; H572-I576 PolarHBondContact O-N 2.87Å
573	L	94	Very high	85.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-44.7	179.7	-66.6	171.9	0	0	0	112	F527 F536 L540 V548 I555 T568 K569 I570 S575 I576 L577	F527-L573 HydrophobicContact CE1-CB 4.49Å; F536-L573 HydrophobicContact CE1-CD2 4.23Å; F536-L573 HydrophobicContact CZ-CD1 3.97Å; F536-L573 HydrophobicContact CZ-CD2 4.25Å; L540-L573 HydrophobicContact CD1-CD2 3.9Å; L540-L573 HydrophobicContact CD2-CD2 3.53Å; L540-L573 HydrophobicContact CG-CD2 4.35Å; V548-L573 HydrophobicContact CG2-CD2 4.48Å; I555-L573 HydrophobicContact CB-CD1 4.47Å; I555-L573 HydrophobicContact CD1-CD1 3.96Å; I555-L573 HydrophobicContact CG1-CD1 3.99Å; I555-L573 HydrophobicContact CG2-CD1 3.67Å; T568-L573 HydrophobicContact CG2-CD1 4.05Å; T568-L573 HydrophobicContact CG2-CD2 3.47Å; T568-L573 VanDerWaalsContact CG2-CD2 3.47Å; T568-L573 HydrophobicContact CG2-CG 3.68Å; K569-L573 WeakPolarHBondContact O-CG 3.42Å; K569-L573 PolarHBondContact O-N 3.46Å; I570-L573 PolarHBondContact O-N 3.39Å; L573-S575 VanDerWaalsContact C-N 3.35Å; L573-S575 PolarHBondContact O-N 3.46Å; L573-I576 PolarHBondContact O-N 2.83Å; L573-L577 WeakPolarHBondContact O-CB 3.47Å; L573-L577 WeakPolarHBondContact O-CG 3.34Å; L573-L577 PolarHBondContact O-N 3.2Å
574	V	95.8	Very high	86.9	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-45.6	176	172.2	0	0	0	0	110.4	I245 M281 I301 I305 F330 F527 I570 H572 I576 L577 L578	I245-V574 HydrophobicContact CD1-CB 4.11Å; I245-V574 HydrophobicContact CD1-CG1 3.82Å; M281-V574 HydrophobicContact SD-CB 4.01Å; M281-V574 HydrophobicContact SD-CG1 3.98Å; M281-V574 HydrophobicContact SD-CG2 4.01Å; I301-V574 HydrophobicContact CG2-CG2 3.54Å; I305-V574 HydrophobicContact CD1-CG1 4.11Å; I305-V574 HydrophobicContact CD1-CG2 4.21Å; I305-V574 HydrophobicContact CG1-CG1 4.47Å; F330-V574 HydrophobicContact CD1-CG1 3.9Å; F330-V574 HydrophobicContact CD2-CG1 4.49Å; F330-V574 HydrophobicContact CE1-CG1 4.11Å; F330-V574 HydrophobicContact CG-CG1 4.11Å; F527-V574 HydrophobicContact CZ-CG2 4.14Å; I570-V574 HydrophobicContact CD1-CG2 4.37Å; I570-V574 HydrophobicContact CG1-CG2 4.2Å; I570-V574 WeakPolarHBondContact O-CB 2.9Å; I570-V574 VanDerWaalsContact O-CG2 3.23Å; I570-V574 WeakPolarHBondContact O-CG2 3.34Å; I570-V574 PolarHBondContact O-N 3.41Å; H572-V574 PolarHBondContact O-N 3.43Å; V574-I576 PolarHBondContact O-N 3.34Å; V574-L577 PolarHBondContact O-N 3.19Å; V574-L578 HydrophobicContact CG1-CD1 3.74Å; V574-L578 HydrophobicContact CG1-CG 4.24Å; V574-L578 WeakPolarHBondContact O-CB 3.38Å; V574-L578 VanDerWaalsContact O-CG 3.25Å; V574-L578 WeakPolarHBondContact O-CG 3.45Å; V574-L578 PolarHBondContact O-N 2.92Å
575	S	95	Very high	88.1	Confident	9 Å²	9	35.1 Å²	35.1	6%	0.063	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-43.8	177.8	74.1	0	0	0	0	112.3	S571 H572 L573 L578 I579	S571-S575 WeakPolarHBondContact O-CB 3.24Å; S571-S575 PolarHBondContact O-N 3.07Å; S571-S575 PolarHBondContact O-OG 2.98Å; H572-S575 PolarHBondContact O-N 3.01Å; H572-S575 PolarHBondContact O-OG 3.46Å; L573-S575 VanDerWaalsContact C-N 3.35Å; L573-S575 PolarHBondContact O-N 3.46Å; S575-L578 PolarHBondContact O-N 2.93Å; S575-I579 WeakPolarHBondContact O-CB 3.48Å; S575-I579 WeakPolarHBondContact O-CD1 3.36Å; S575-I579 WeakPolarHBondContact O-CG1 3.5Å; S575-I579 PolarHBondContact O-N 3.49Å
576	I	94.7	Very high	89.4	Confident	44 Å²	44	28.4 Å²	28.4	23%	0.226	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-44.4	178.9	-66.7	165	0	0	0	110.7	Y539 L540 H572 L573 V574 I579 G580	Y539-I576 VanDerWaalsContact O-CG2 3.31Å; Y539-I576 WeakPolarHBondContact O-CG2 3.38Å; L540-I576 HydrophobicContact CD2-CB 4.44Å; L540-I576 HydrophobicContact CD2-CD1 3.79Å; L540-I576 HydrophobicContact CD2-CG2 4.05Å; H572-I576 WeakPolarHBondContact O-CG1 3.49Å; H572-I576 PolarHBondContact O-N 2.87Å; L573-I576 PolarHBondContact O-N 2.83Å; V574-I576 PolarHBondContact O-N 3.34Å; I576-I579 PolarHBondContact O-N 2.89Å; I576-G580 PolarHBondContact O-N 3.08Å
577	L	95.9	Very high	90.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-45.7	176.7	-73.6	-179.9	0	0	0	111.3	F527 L535 F536 Y539 L573 V574 G580 L581	F527-L577 HydrophobicContact CE1-CD1 3.87Å; F527-L577 HydrophobicContact CZ-CD1 3.88Å; L535-L577 HydrophobicContact CB-CD2 4.28Å; L535-L577 HydrophobicContact CD2-CD2 4.25Å; F536-L577 HydrophobicContact CD1-CD2 4.24Å; F536-L577 HydrophobicContact CE1-CD1 4.01Å; F536-L577 HydrophobicContact CE1-CD2 4.39Å; F536-L577 HydrophobicContact CE1-CG 4.36Å; Y539-L577 HydrophobicContact CD2-CD2 4.14Å; L573-L577 WeakPolarHBondContact O-CB 3.47Å; L573-L577 WeakPolarHBondContact O-CG 3.34Å; L573-L577 PolarHBondContact O-N 3.2Å; V574-L577 PolarHBondContact O-N 3.19Å; L577-G580 PolarHBondContact O-N 3.1Å; L577-L581 HydrophobicContact CB-CD1 4.2Å; L577-L581 WeakPolarHBondContact O-CB 3.39Å; L577-L581 WeakPolarHBondContact O-CD1 3.33Å; L577-L581 WeakPolarHBondContact O-CG 3.37Å; L577-L581 PolarHBondContact O-N 3Å
578	L	96	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-45.5	177.9	-70.8	171.6	0	0	0	111.5	I245 L247 I305 F330 V574 S575 G580 T582 M618	I245-L578 HydrophobicContact CG2-CD1 3.86Å; L247-L578 HydrophobicContact CD2-CD2 3.96Å; I305-L578 HydrophobicContact CB-CD2 4.44Å; I305-L578 HydrophobicContact CG1-CD2 4.04Å; I305-L578 HydrophobicContact CG2-CD2 4.2Å; F330-L578 HydrophobicContact CD2-CD1 3.85Å; F330-L578 HydrophobicContact CE2-CD1 3.5Å; F330-L578 VanDerWaalsContact CE2-CD1 3.5Å; F330-L578 HydrophobicContact CE2-CD2 4.22Å; F330-L578 HydrophobicContact CE2-CG 4.47Å; F330-L578 HydrophobicContact CZ-CD1 4.05Å; F330-L578 HydrophobicContact CZ-CD2 4.23Å; V574-L578 HydrophobicContact CG1-CD1 3.74Å; V574-L578 HydrophobicContact CG1-CG 4.24Å; V574-L578 WeakPolarHBondContact O-CB 3.38Å; V574-L578 VanDerWaalsContact O-CG 3.25Å; V574-L578 WeakPolarHBondContact O-CG 3.45Å; V574-L578 PolarHBondContact O-N 2.92Å; S575-L578 PolarHBondContact O-N 2.93Å; L578-G580 PolarHBondContact O-N 2.71Å; L578-T582 WeakPolarHBondContact O-CB 3.39Å; L578-T582 PolarHBondContact O-N 3.27Å; L578-T582 PolarHBondContact O-OG1 2.91Å; L578-M618 HydrophobicContact CB-SD 4.16Å
579	I	94	Very high	91.5	Very high	13 Å²	13	35.9 Å²	35.9	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-49.3	174.5	-67.9	162.5	0	0	0	110.3	S575 I576 G583 W603 Y614 T616 M618	S575-I579 WeakPolarHBondContact O-CB 3.48Å; S575-I579 WeakPolarHBondContact O-CD1 3.36Å; S575-I579 WeakPolarHBondContact O-CG1 3.5Å; S575-I579 PolarHBondContact O-N 3.49Å; I576-I579 PolarHBondContact O-N 2.89Å; I579-G583 WeakPolarHBondContact O-CA 3.5Å; I579-G583 PolarHBondContact O-N 3.02Å; I579-W603 HydrophobicContact CD1-CB 3.94Å; I579-W603 HydrophobicContact CD1-CD2 4.32Å; I579-W603 HydrophobicContact CD1-CG 4.02Å; I579-W603 HydrophobicContact CG1-CB 4.5Å; I579-W603 HydrophobicContact CG2-CB 4.4Å; I579-Y614 HydrophobicContact CG2-CD1 4.17Å; I579-Y614 HydrophobicContact CG2-CD2 3.89Å; I579-Y614 HydrophobicContact CG2-CG 3.61Å; I579-T616 HydrophobicContact CG1-CG2 4.24Å; I579-M618 HydrophobicContact CD1-CE 3.52Å; I579-M618 HydrophobicContact CG1-CE 3.37Å; I579-M618 HydrophobicContact CG1-SD 4.17Å
580	G	94	Very high	91.7	Very high	9 Å²	9	38.5 Å²	38.5	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-35.1	-175.5	0	0	0	0	0	114.6	Y539 I576 L577 L578	Y539-G580 VanDerWaalsContact CD1-CA 3.46Å; Y539-G580 WeakPolarHBondContact CE1-O 3.37Å; Y539-G580 VanDerWaalsContact CZ-O 3.3Å; Y539-G580 PolarHBondContact OH-O 3.31Å; I576-G580 PolarHBondContact O-N 3.08Å; L577-G580 PolarHBondContact O-N 3.1Å; L578-G580 PolarHBondContact O-N 2.71Å
581	L	94.8	Very high	91.5	Very high	29 Å²	29	40 Å²	40	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-89.4	-31.5	-175.9	-67.8	164.1	0	0	0	113.4	I305 V309 Y517 P518 L535 Y539 L577	I305-L581 HydrophobicContact CG2-CD1 4.06Å; V309-L581 HydrophobicContact CG1-CB 4.31Å; V309-L581 HydrophobicContact CG2-CB 3.59Å; V309-L581 HydrophobicContact CG2-CD1 4.07Å; V309-L581 HydrophobicContact CG2-CG 4.39Å; Y517-L581 HydrophobicContact CE1-CD2 4.44Å; P518-L581 HydrophobicContact CG-CD1 3.92Å; P518-L581 HydrophobicContact CG-CD2 4.15Å; L535-L581 HydrophobicContact CD2-CD1 4.21Å; L535-L581 HydrophobicContact CD2-CD2 3.92Å; L535-L581 HydrophobicContact CD2-CG 4.47Å; Y539-L581 HydrophobicContact CE2-CD2 3.8Å; Y539-L581 HydrophobicContact CE2-CG 4.01Å; L577-L581 HydrophobicContact CB-CD1 4.2Å; L577-L581 WeakPolarHBondContact O-CB 3.39Å; L577-L581 WeakPolarHBondContact O-CD1 3.33Å; L577-L581 WeakPolarHBondContact O-CG 3.37Å; L577-L581 PolarHBondContact O-N 3Å
582	T	92.5	Very high	91.2	Very high	23 Å²	23	41.3 Å²	41.3	14%	0.141	24%	0.241	C	C	.	.	H	α-helix	trans	-112	-22.9	-176.1	70.2	0	0	0	0	113.9	L247 V309 M312 L578	L247-T582 HydrophobicContact CD2-CG2 4Å; V309-T582 HydrophobicContact CB-CG2 4.38Å; V309-T582 HydrophobicContact CG2-CG2 3.67Å; M312-T582 HydrophobicContact SD-CG2 3.9Å; L578-T582 WeakPolarHBondContact O-CB 3.39Å; L578-T582 PolarHBondContact O-N 3.27Å; L578-T582 PolarHBondContact O-OG1 2.91Å
583	G	90.3	Very high	90.9	Very high	13 Å²	13	41.3 Å²	41.3	13%	0.134	25%	0.247	C	C	.	.	S	Bend	trans	-75.1	146.6	178	0	0	0	0	0	112.1	I579 F615	I579-G583 WeakPolarHBondContact O-CA 3.5Å; I579-G583 PolarHBondContact O-N 3.02Å; G583-F615 WeakPolarHBondContact CA-O 3.04Å
584	E	89.1	Confident	90.1	Very high	100 Å²	100	46.5 Å²	46.5	47%	0.467	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.7	175.1	-73	-172.2	-171.2	0	0	109.4	K318 Y614 F615	K318-E584 IonicContact NZ-OE1 3.6Å; E584-Y614 WeakPolarHBondContact O-CA 3.36Å; E584-F615 HydrophobicContact CB-CD1 3.84Å; E584-F615 HydrophobicContact CB-CD2 4.45Å; E584-F615 HydrophobicContact CB-CE1 3.22Å; E584-F615 HydrophobicContact CB-CE2 3.91Å; E584-F615 HydrophobicContact CB-CG 4.43Å; E584-F615 HydrophobicContact CB-CZ 3.3Å; E584-F615 HydrophobicContact CG-CE1 4.37Å; E584-F615 HydrophobicContact CG-CE2 4.45Å; E584-F615 HydrophobicContact CG-CZ 4Å; E584-F615 PolarHBondContact N-O 2.85Å; E584-F615 WeakPolarHBondContact O-CD1 3.32Å; E584-F615 PolarHBondContact O-N 2.88Å; E584-F615 WeakPolarHBondContact OE2-CZ 3.41Å
585	R	90.9	Very high	89.3	Confident	137 Å²	137	53.3 Å²	53.3	52%	0.517	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.9	-179.2	-66.2	177.9	-61.7	-175.1	1.8	110.3	Y614	R585-Y614 HydrophobicContact CG-CD1 3.9Å; R585-Y614 HydrophobicContact CG-CE1 3.46Å; R585-Y614 VanDerWaalsContact CG-CE1 3.46Å
586	T	88.7	Confident	88.5	Confident	25 Å²	25	59.2 Å²	59.2	15%	0.153	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-69	157.6	170.6	49.4	0	0	0	0	111	T588 Y602 C613	T586-T588 WeakPolarHBondContact CB-O 3.32Å; T586-T588 PolarHBondContact O-N 2.76Å; T586-T588 PolarHBondContact OG1-O 2.95Å; T586-Y602 HydrophobicContact CG2-CD1 4.13Å; T586-Y602 HydrophobicContact CG2-CE1 3.82Å; T586-C613 HydrophobicContact CG2-CB 4.39Å; T586-C613 PolarHBondContact N-O 2.85Å; T586-C613 WeakPolarHBondContact OG1-CB 3.42Å; T586-C613 PolarHBondContact OG1-O 3.05Å
587	S	85.9	Confident	87.5	Confident	127 Å²	127	60.9 Å²	60.9	89%	0.888	35%	0.345	S	S	*	.	S	Bend	trans	-66.7	-28.4	177.7	52.3	0	0	0	0	112.8
588	T	85.7	Confident	86.3	Confident	79 Å²	79	63.5 Å²	63.5	49%	0.485	37%	0.372	S	S	.	.	S	Bend	trans	-108.9	150.3	173	53.9	0	0	0	0	109.8	T586 A590	T586-T588 WeakPolarHBondContact CB-O 3.32Å; T586-T588 PolarHBondContact O-N 2.76Å; T586-T588 PolarHBondContact OG1-O 2.95Å; T588-A590 PolarHBondContact O-N 2.83Å; T588-A590 PolarHBondContact OG1-O 3.48Å
589	P	84.5	Confident	85.2	Confident	75 Å²	75	65.9 Å²	65.9	49%	0.487	39%	0.388	S	S	.	.	S	Bend	trans	-67.9	-14.8	176	25.4	-32.4	0	0	0	113.1	C613	P589-C613 PolarHBondContact O-N 2.77Å
590	A	87.1	Confident	84.4	Confident	61 Å²	61	68.6 Å²	68.6	50%	0.504	40%	0.398	S	S	.	.	S	Bend	trans	-88.4	135.7	178.6	0	0	0	0	0	111.7	T588	T588-A590 PolarHBondContact O-N 2.83Å; T588-A590 PolarHBondContact OG1-O 3.48Å
591	C	87.6	Confident	83.9	Confident	34 Å²	34	69.3 Å²	69.3	23%	0.23	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-71.4	142.1	172.2	-61.9	0	0	0	0	111.3	C613	C591-C613 WeakPolarHBondContact CA-SG 3.16Å; C591-C613 HydrophobicContact CB-CB 4.01Å; C591-C613 WeakPolarHBondContact CB-SG 3.44Å; C591-C613 WeakPolarHBondContact SG-CB 3.41Å; C591-C613 CovalentContact SG-SG 2.03Å; C591-C613 PolarHBondContact SG-SG 2.05Å
592	P	87	Confident	83.6	Confident	26 Å²	26	70.2 Å²	70.2	17%	0.169	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-61.7	154.6	175.3	23.1	-30	0	0	0	111.7	E596 R597 Y602	P592-E596 HydrophobicContact CB-CB 4.17Å; P592-R597 HydrophobicContact CG-CG 4.23Å; P592-R597 VanDerWaalsContact O-CZ 3.32Å; P592-R597 PolarHBondContact O-NE 3.09Å; P592-R597 PolarHBondContact O-NH2 2.94Å; P592-Y602 VanDerWaalsContact CD-CD1 3.46Å; P592-Y602 VanDerWaalsContact CD-CE1 3.48Å; P592-Y602 HydrophobicContact CG-CD1 3.75Å; P592-Y602 HydrophobicContact CG-CD2 4.36Å; P592-Y602 HydrophobicContact CG-CE1 3.37Å; P592-Y602 HydrophobicContact CG-CE2 4.07Å; P592-Y602 HydrophobicContact CG-CG 4.2Å
593	P	84.6	Confident	83.5	Confident	61 Å²	61	73.6 Å²	73.6	40%	0.396	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-63.5	154.8	173.8	31.1	-35.8	0	0	0	110.4	D595 E596 R597	P593-D595 WeakPolarHBondContact CB-OD1 3.45Å; P593-D595 PolarHBondContact O-N 2.91Å; P593-D595 VanDerWaalsContact O-N 3.13Å; P593-E596 HydrophobicContact CG-CB 4.26Å; P593-E596 HydrophobicContact CG-CG 3.98Å; P593-E596 PolarHBondContact O-N 3.13Å; P593-R597 WeakPolarHBondContact O-CG 3.37Å
594	V	78.9	Confident	83.5	Confident	109 Å²	109	77.7 Å²	77.7	66%	0.661	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-55.7	-37.2	-166.9	177.3	0	0	0	0	112.7	E596 R597	V594-E596 PolarHBondContact O-N 2.93Å; V594-R597 PolarHBondContact O-N 2.92Å
595	D	78.2	Confident	83.6	Confident	143 Å²	143	73.5 Å²	73.5	77%	0.765	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.6	177.8	37.4	-50.3	0	0	0	114.2	P593	P593-D595 WeakPolarHBondContact CB-OD1 3.45Å; P593-D595 PolarHBondContact O-N 2.91Å; P593-D595 VanDerWaalsContact O-N 3.13Å
596	E	78.6	Confident	83.7	Confident	134 Å²	134	69.9 Å²	69.9	63%	0.626	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-102.6	-1.7	178.7	-66.8	-179.1	-176.8	0	0	113.5	P592 P593 V594 G598	P592-E596 HydrophobicContact CB-CB 4.17Å; P593-E596 HydrophobicContact CG-CB 4.26Å; P593-E596 HydrophobicContact CG-CG 3.98Å; P593-E596 PolarHBondContact O-N 3.13Å; V594-E596 PolarHBondContact O-N 2.93Å; E596-G598 VanDerWaalsContact C-N 3.27Å; E596-G598 PolarHBondContact O-N 3.34Å
597	R	73.3	Confident	83.9	Confident	78 Å²	78	71.1 Å²	71.1	29%	0.294	40%	0.403	S	S	.	.			trans	-72.9	-12.8	-169.9	-68.6	-176.8	-174.5	175.5	-0.5	114.8	P592 P593 V594 Y600 Y602	P592-R597 HydrophobicContact CG-CG 4.23Å; P592-R597 VanDerWaalsContact O-CZ 3.32Å; P592-R597 PolarHBondContact O-NE 3.09Å; P592-R597 PolarHBondContact O-NH2 2.94Å; P593-R597 WeakPolarHBondContact O-CG 3.37Å; V594-R597 PolarHBondContact O-N 2.92Å; R597-Y600 PolarHBondContact O-N 3.38Å; R597-Y602 HydrophobicContact CB-CD2 3.67Å; R597-Y602 HydrophobicContact CB-CE2 3.56Å; R597-Y602 HydrophobicContact CG-CD2 3.48Å; R597-Y602 VanDerWaalsContact CG-CD2 3.48Å; R597-Y602 HydrophobicContact CG-CE2 3.7Å; R597-Y602 HydrophobicContact CG-CG 4.28Å; R597-Y602 VanDerWaalsContact O-CE2 3.3Å; R597-Y602 WeakPolarHBondContact O-CE2 3.44Å
598	G	70.7	Confident	84.2	Confident	57 Å²	57	69.8 Å²	69.8	59%	0.588	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	-151.9	-177.7	0	0	0	0	0	112.6	E596 Y600	E596-G598 VanDerWaalsContact C-N 3.27Å; E596-G598 PolarHBondContact O-N 3.34Å; G598-Y600 PolarHBondContact O-N 3.25Å; G598-Y600 VanDerWaalsContact O-N 3.08Å
599	P	73.6	Confident	84.3	Confident	50 Å²	50	67.7 Å²	67.7	33%	0.325	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	45.5	-177.8	37.3	-36.7	0	0	0	112.3	Y356	Y356-P599 VanDerWaalsContact CD2-C 3.49Å; Y356-P599 VanDerWaalsContact CD2-O 3.23Å; Y356-P599 WeakPolarHBondContact CD2-O 3.43Å; Y356-P599 WeakPolarHBondContact CE2-O 3.43Å
600	Y	76.1	Confident	84.7	Confident	71 Å²	71	67.3 Å²	67.3	28%	0.278	38%	0.379	S	S	.	.	S	Bend	trans	-134.7	154.4	179.3	-61.6	-80.7	0	0	0	112.1	R597 G598 F615 R617	R597-Y600 PolarHBondContact O-N 3.38Å; G598-Y600 PolarHBondContact O-N 3.25Å; G598-Y600 VanDerWaalsContact O-N 3.08Å; Y600-F615 AromaticContact CD1-CD2 3.8Å; Y600-F615 HydrophobicContact CD1-CD2 3.8Å; Y600-F615 HydrophobicContact CD1-CE2 4.29Å; Y600-F615 HydrophobicContact CE1-CD2 4.18Å; Y600-F615 HydrophobicContact CE1-CE2 4.2Å; Y600-F615 HydrophobicContact CG-CD2 4.1Å; Y600-R617 HydrophobicContact CD1-CG 4.25Å; Y600-R617 HydrophobicContact CE1-CG 4.39Å
601	T	84.4	Confident	85	Confident	23 Å²	23	69.7 Å²	69.7	14%	0.141	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.8	170.1	62.2	0	0	0	0	109	Y356 W603 F615 T616 M618	Y356-T601 HydrophobicContact CD1-CG2 3.58Å; Y356-T601 HydrophobicContact CD2-CG2 4.42Å; Y356-T601 HydrophobicContact CE1-CG2 3.85Å; Y356-T601 HydrophobicContact CG-CG2 3.9Å; T601-W603 PolarHBondContact OG1-NE1 3.29Å; T601-F615 CarbonylContact O-C 3.5Å; T601-F615 WeakPolarHBondContact O-CA 3.4Å; T601-T616 PolarHBondContact N-O 3.11Å; T601-T616 PolarHBondContact O-N 3.2Å; T601-T616 VanDerWaalsContact O-O 3.13Å; T601-T616 PolarHBondContact OG1-O 2.51Å; T601-M618 PolarHBondContact OG1-N 3.09Å; T601-M618 PolarHBondContact OG1-O 3.05Å
602	Y	88.6	Confident	85.2	Confident	48 Å²	48	70.3 Å²	70.3	19%	0.188	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.1	178	-71.9	-100.5	0	0	0	109.6	T586 P592 R597 Y614 F615	T586-Y602 HydrophobicContact CG2-CD1 4.13Å; T586-Y602 HydrophobicContact CG2-CE1 3.82Å; P592-Y602 VanDerWaalsContact CD-CD1 3.46Å; P592-Y602 VanDerWaalsContact CD-CE1 3.48Å; P592-Y602 HydrophobicContact CG-CD1 3.75Å; P592-Y602 HydrophobicContact CG-CD2 4.36Å; P592-Y602 HydrophobicContact CG-CE1 3.37Å; P592-Y602 HydrophobicContact CG-CE2 4.07Å; P592-Y602 HydrophobicContact CG-CG 4.2Å; R597-Y602 HydrophobicContact CB-CD2 3.67Å; R597-Y602 HydrophobicContact CB-CE2 3.56Å; R597-Y602 HydrophobicContact CG-CD2 3.48Å; R597-Y602 VanDerWaalsContact CG-CD2 3.48Å; R597-Y602 HydrophobicContact CG-CE2 3.7Å; R597-Y602 HydrophobicContact CG-CG 4.28Å; R597-Y602 VanDerWaalsContact O-CE2 3.3Å; R597-Y602 WeakPolarHBondContact O-CE2 3.44Å; Y602-Y614 CarbonylContact C-O 3.56Å; Y602-Y614 VanDerWaalsContact CA-O 3.31Å; Y602-Y614 WeakPolarHBondContact CA-O 3.45Å; Y602-F615 HydrophobicContact CD1-CB 3.81Å; Y602-F615 HydrophobicContact CE1-CB 3.57Å; Y602-F615 HydrophobicContact CE1-CG 4.49Å; Y602-F615 HydrophobicContact CE2-CB 4.32Å; Y602-F615 HydrophobicContact CG-CB 4.34Å
603	W	89.2	Confident	85.5	Confident	94 Å²	94	69 Å²	69	36%	0.356	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135	-177.9	-69.2	86.4	0	0	0	109.8	I579 T601 Y614 T616 I620	I579-W603 HydrophobicContact CD1-CB 3.94Å; I579-W603 HydrophobicContact CD1-CD2 4.32Å; I579-W603 HydrophobicContact CD1-CG 4.02Å; I579-W603 HydrophobicContact CG1-CB 4.5Å; I579-W603 HydrophobicContact CG2-CB 4.4Å; T601-W603 PolarHBondContact OG1-NE1 3.29Å; W603-Y614 PolarHBondContact N-O 3.33Å; W603-Y614 PolarHBondContact O-N 3.21Å; W603-T616 HydrophobicContact CG-CG2 4.25Å; W603-I620 HydrophobicContact CH2-CB 4.37Å; W603-I620 HydrophobicContact CH2-CD1 3.52Å; W603-I620 HydrophobicContact CH2-CG1 4.14Å; W603-I620 HydrophobicContact CZ2-CB 4.37Å; W603-I620 HydrophobicContact CZ2-CD1 3.62Å; W603-I620 HydrophobicContact CZ2-CG1 3.9Å; W603-I620 HydrophobicContact CZ3-CD1 4.03Å
604	M	90.7	Very high	85.9	Confident	99 Å²	99	66.2 Å²	66.2	49%	0.488	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.8	168.1	-168	59.1	64.4	0	0	108.7	E611 C613	M604-E611 HydrophobicContact SD-CB 4.34Å; M604-C613 HydrophobicContact CE-CB 4.34Å
605	G	91.5	Very high	86.4	Confident	13 Å²	13	63.4 Å²	63.4	13%	0.134	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-168	177.4	0	0	0	0	0	111.2	E611 Q612	G605-E611 WeakPolarHBondContact O-CA 3.46Å; G605-Q612 CarbonylContact C-O 3.5Å; G605-Q612 PolarHBondContact N-O 2.86Å; G605-Q612 PolarHBondContact O-N 2.73Å; G605-Q612 VanDerWaalsContact O-O 3.08Å
606	Y	92.9	Very high	86.9	Confident	61 Å²	61	56.8 Å²	56.8	24%	0.239	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.5	177.7	-71.1	-95.9	0	0	0	110.8	S541 S610 E611 Y614	S541-Y606 VanDerWaalsContact CB-CE2 3.42Å; Y606-S610 CarbonylContact C-O 3.57Å; Y606-S610 VanDerWaalsContact CA-O 3.31Å; Y606-S610 WeakPolarHBondContact CA-O 3.48Å; Y606-E611 HydrophobicContact CD1-CG 4.01Å; Y606-E611 HydrophobicContact CE1-CB 4.4Å; Y606-E611 HydrophobicContact CE1-CG 3.3Å; Y606-E611 HydrophobicContact CE2-CG 4.42Å; Y606-E611 PolarHBondContact OH-OE1 2.79Å; Y606-Y614 PolarHBondContact O-OH 2.87Å
607	F	93.2	Very high	87.3	Confident	51 Å²	51	53.4 Å²	53.4	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.9	168.1	-171.2	-102.8	0	0	0	109.3	M538 Y539 G609 S610 Q612 Y614	M538-F607 HydrophobicContact CG-CD2 3.98Å; M538-F607 HydrophobicContact CG-CE2 3.69Å; M538-F607 HydrophobicContact CG-CZ 4.35Å; M538-F607 CarbonylContact O-C 3.53Å; M538-F607 VanDerWaalsContact O-CA 3.23Å; M538-F607 WeakPolarHBondContact O-CA 3.32Å; M538-F607 HydrophobicContact SD-CD2 4.5Å; M538-F607 HydrophobicContact SD-CE2 3.67Å; M538-F607 HydrophobicContact SD-CZ 4.19Å; Y539-F607 HydrophobicContact CD1-CD2 4.41Å; Y539-F607 AromaticContact CE1-CD2 3.98Å; Y539-F607 HydrophobicContact CE1-CD2 3.98Å; Y539-F607 HydrophobicContact CE1-CE2 4.29Å; F607-G609 PolarHBondContact O-N 2.94Å; F607-S610 PolarHBondContact N-O 2.96Å; F607-S610 PolarHBondContact O-N 2.54Å; F607-Q612 HydrophobicContact CB-CG 3.87Å; F607-Y614 WeakPolarHBondContact CB-OH 3.03Å
608	N	91.8	Very high	88.2	Confident	98 Å²	98	49.7 Å²	49.7	52%	0.524	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.5	-176.4	-74.1	-26	0	0	0	112.5	M538 S610	M538-N608 PolarHBondContact O-N 2.88Å; N608-S610 VanDerWaalsContact C-N 3.26Å; N608-S610 PolarHBondContact O-N 3.22Å
609	G	88.8	Confident	89.2	Confident	35 Å²	35	48.2 Å²	48.2	36%	0.361	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0.9	178.5	0	0	0	0	0	116.1	F607	F607-G609 PolarHBondContact O-N 2.94Å
610	S	91.7	Very high	90.2	Very high	68 Å²	68	47.9 Å²	47.9	48%	0.476	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.5	174.2	-55.5	0	0	0	0	111.1	Y606 F607 N608	Y606-S610 CarbonylContact C-O 3.57Å; Y606-S610 VanDerWaalsContact CA-O 3.31Å; Y606-S610 WeakPolarHBondContact CA-O 3.48Å; F607-S610 PolarHBondContact N-O 2.96Å; F607-S610 PolarHBondContact O-N 2.54Å; N608-S610 VanDerWaalsContact C-N 3.26Å; N608-S610 PolarHBondContact O-N 3.22Å
611	E	92.8	Very high	91	Very high	111 Å²	111	45.6 Å²	45.6	52%	0.519	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135.6	173.2	-69.5	179.1	174.1	0	0	110.6	M604 G605 Y606	M604-E611 HydrophobicContact SD-CB 4.34Å; G605-E611 WeakPolarHBondContact O-CA 3.46Å; Y606-E611 HydrophobicContact CD1-CG 4.01Å; Y606-E611 HydrophobicContact CE1-CB 4.4Å; Y606-E611 HydrophobicContact CE1-CG 3.3Å; Y606-E611 HydrophobicContact CE2-CG 4.42Å; Y606-E611 PolarHBondContact OH-OE1 2.79Å
612	Q	92.6	Very high	91.3	Very high	46 Å²	46	48.2 Å²	48.2	22%	0.215	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.4	179.5	-69.2	-59.6	-32.3	0	0	109.8	G605 F607 Y614	G605-Q612 CarbonylContact C-O 3.5Å; G605-Q612 PolarHBondContact N-O 2.86Å; G605-Q612 PolarHBondContact O-N 2.73Å; G605-Q612 VanDerWaalsContact O-O 3.08Å; F607-Q612 HydrophobicContact CB-CG 3.87Å; Q612-Y614 HydrophobicContact CB-CD2 4.46Å; Q612-Y614 HydrophobicContact CB-CE2 3.83Å
613	C	93.8	Very high	91.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.2	168.9	-174.6	0	0	0	0	110.5	T586 P589 C591 M604	T586-C613 HydrophobicContact CG2-CB 4.39Å; T586-C613 PolarHBondContact N-O 2.85Å; T586-C613 WeakPolarHBondContact OG1-CB 3.42Å; T586-C613 PolarHBondContact OG1-O 3.05Å; P589-C613 PolarHBondContact O-N 2.77Å; C591-C613 WeakPolarHBondContact CA-SG 3.16Å; C591-C613 HydrophobicContact CB-CB 4.01Å; C591-C613 WeakPolarHBondContact CB-SG 3.44Å; C591-C613 WeakPolarHBondContact SG-CB 3.41Å; C591-C613 CovalentContact SG-SG 2.03Å; C591-C613 PolarHBondContact SG-SG 2.05Å; M604-C613 HydrophobicContact CE-CB 4.34Å
614	Y	92.5	Very high	91.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.6	176.2	-68	-98.2	0	0	0	108.7	I579 E584 R585 Y602 W603 Y606 F607 Q612	I579-Y614 HydrophobicContact CG2-CD1 4.17Å; I579-Y614 HydrophobicContact CG2-CD2 3.89Å; I579-Y614 HydrophobicContact CG2-CG 3.61Å; E584-Y614 WeakPolarHBondContact O-CA 3.36Å; R585-Y614 HydrophobicContact CG-CD1 3.9Å; R585-Y614 HydrophobicContact CG-CE1 3.46Å; R585-Y614 VanDerWaalsContact CG-CE1 3.46Å; Y602-Y614 CarbonylContact C-O 3.56Å; Y602-Y614 VanDerWaalsContact CA-O 3.31Å; Y602-Y614 WeakPolarHBondContact CA-O 3.45Å; W603-Y614 PolarHBondContact N-O 3.33Å; W603-Y614 PolarHBondContact O-N 3.21Å; Y606-Y614 PolarHBondContact O-OH 2.87Å; F607-Y614 WeakPolarHBondContact CB-OH 3.03Å; Q612-Y614 HydrophobicContact CB-CD2 4.46Å; Q612-Y614 HydrophobicContact CB-CE2 3.83Å
615	F	89.2	Confident	91.7	Very high	49 Å²	49	42.9 Å²	42.9	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.6	160.1	74.3	-92	0	0	0	109.2	G583 E584 Y600 T601 Y602	G583-F615 WeakPolarHBondContact CA-O 3.04Å; E584-F615 HydrophobicContact CB-CD1 3.84Å; E584-F615 HydrophobicContact CB-CD2 4.45Å; E584-F615 HydrophobicContact CB-CE1 3.22Å; E584-F615 HydrophobicContact CB-CE2 3.91Å; E584-F615 HydrophobicContact CB-CG 4.43Å; E584-F615 HydrophobicContact CB-CZ 3.3Å; E584-F615 HydrophobicContact CG-CE1 4.37Å; E584-F615 HydrophobicContact CG-CE2 4.45Å; E584-F615 HydrophobicContact CG-CZ 4Å; E584-F615 PolarHBondContact N-O 2.85Å; E584-F615 WeakPolarHBondContact O-CD1 3.32Å; E584-F615 PolarHBondContact O-N 2.88Å; E584-F615 WeakPolarHBondContact OE2-CZ 3.41Å; Y600-F615 AromaticContact CD1-CD2 3.8Å; Y600-F615 HydrophobicContact CD1-CD2 3.8Å; Y600-F615 HydrophobicContact CD1-CE2 4.29Å; Y600-F615 HydrophobicContact CE1-CD2 4.18Å; Y600-F615 HydrophobicContact CE1-CE2 4.2Å; Y600-F615 HydrophobicContact CG-CD2 4.1Å; T601-F615 CarbonylContact O-C 3.5Å; T601-F615 WeakPolarHBondContact O-CA 3.4Å; Y602-F615 HydrophobicContact CD1-CB 3.81Å; Y602-F615 HydrophobicContact CE1-CB 3.57Å; Y602-F615 HydrophobicContact CE1-CG 4.49Å; Y602-F615 HydrophobicContact CE2-CB 4.32Å; Y602-F615 HydrophobicContact CG-CB 4.34Å
616	T	89	Confident	91.6	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.1	-176.5	177	0	0	0	0	110.2	I579 T601 W603 M618	I579-T616 HydrophobicContact CG1-CG2 4.24Å; T601-T616 PolarHBondContact N-O 3.11Å; T601-T616 PolarHBondContact O-N 3.2Å; T601-T616 VanDerWaalsContact O-O 3.13Å; T601-T616 PolarHBondContact OG1-O 2.51Å; W603-T616 HydrophobicContact CG-CG2 4.25Å; T616-M618 HydrophobicContact CG2-CB 3.99Å; T616-M618 WeakPolarHBondContact OG1-CB 3.12Å
617	R	87.5	Confident	91.5	Very high	62 Å²	62	44.8 Å²	44.8	23%	0.234	24%	0.239	C	C	.	.			trans	-107.5	44.4	178.1	-64.6	179.3	177.4	157.8	1.7	110.2	S248 A249 Y356 Y600	S248-R617 PolarHBondContact N-O 3.46Å; S248-R617 WeakPolarHBondContact O-CB 3.39Å; S248-R617 WeakPolarHBondContact O-CD 3.2Å; A249-R617 PolarHBondContact O-NH1 3.36Å; Y356-R617 VanDerWaalsContact OH-CA 3.22Å; Y356-R617 WeakPolarHBondContact OH-CA 3.42Å; Y356-R617 WeakPolarHBondContact OH-CB 3.49Å; Y356-R617 PolarHBondContact OH-O 2.78Å; Y600-R617 HydrophobicContact CD1-CG 4.25Å; Y600-R617 HydrophobicContact CE1-CG 4.39Å
618	M	91.3	Very high	91.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.8	-170.1	-168.4	-178.7	68.8	0	0	110.2	I245 I246 L247 L578 I579 T601 T616 I620	I245-M618 HydrophobicContact CG2-CG 3.6Å; I245-M618 HydrophobicContact CG2-SD 3.42Å; I245-M618 WeakPolarHBondContact CG2-SD 3.28Å; I246-M618 CarbonylContact O-C 3.58Å; I246-M618 VanDerWaalsContact O-CA 3.29Å; I246-M618 WeakPolarHBondContact O-CA 3.07Å; L247-M618 HydrophobicContact CD1-CB 4.2Å; L578-M618 HydrophobicContact CB-SD 4.16Å; I579-M618 HydrophobicContact CD1-CE 3.52Å; I579-M618 HydrophobicContact CG1-CE 3.37Å; I579-M618 HydrophobicContact CG1-SD 4.17Å; T601-M618 PolarHBondContact OG1-N 3.09Å; T601-M618 PolarHBondContact OG1-O 3.05Å; T616-M618 HydrophobicContact CG2-CB 3.99Å; T616-M618 WeakPolarHBondContact OG1-CB 3.12Å; M618-I620 HydrophobicContact CE-CD1 3.47Å; M618-I620 VanDerWaalsContact CE-CD1 3.47Å; M618-I620 HydrophobicContact CE-CG1 3.73Å; M618-I620 HydrophobicContact CG-CG1 4.45Å
619	D	92.4	Very high	91.1	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.139	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.7	168	-66.9	-54.4	0	0	0	109.8	I246 A354 Y356	I246-D619 HydrophobicContact CB-CB 4.41Å; I246-D619 PolarHBondContact N-O 2.93Å; I246-D619 PolarHBondContact O-N 3.23Å; A354-D619 VanDerWaalsContact CA-OD2 3.24Å; A354-D619 WeakPolarHBondContact CA-OD2 3.39Å; A354-D619 PolarHBondContact N-OD2 3.05Å; Y356-D619 VanDerWaalsContact CD1-OD1 3.3Å; Y356-D619 WeakPolarHBondContact CD1-OD1 3.49Å; Y356-D619 VanDerWaalsContact CE1-OD1 3.31Å; Y356-D619 WeakPolarHBondContact CE1-OD1 3.36Å
620	I	93.6	Very high	90.9	Very high	43 Å²	43	56.2 Å²	56.2	22%	0.221	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.6	176.6	-53.7	-175.3	0	0	0	108.8	L243 N244 W603 M618	L243-I620 HydrophobicContact CB-CG2 3.89Å; L243-I620 HydrophobicContact CD1-CG2 3.92Å; L243-I620 HydrophobicContact CD2-CG2 3.64Å; L243-I620 HydrophobicContact CG-CG2 4.03Å; N244-I620 WeakPolarHBondContact O-CA 3.24Å; W603-I620 HydrophobicContact CH2-CB 4.37Å; W603-I620 HydrophobicContact CH2-CD1 3.52Å; W603-I620 HydrophobicContact CH2-CG1 4.14Å; W603-I620 HydrophobicContact CZ2-CB 4.37Å; W603-I620 HydrophobicContact CZ2-CD1 3.62Å; W603-I620 HydrophobicContact CZ2-CG1 3.9Å; W603-I620 HydrophobicContact CZ3-CD1 4.03Å; M618-I620 HydrophobicContact CE-CD1 3.47Å; M618-I620 VanDerWaalsContact CE-CD1 3.47Å; M618-I620 HydrophobicContact CE-CG1 3.73Å; M618-I620 HydrophobicContact CG-CG1 4.45Å
621	T	93.4	Very high	90.7	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.141	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.6	170.7	-62.5	0	0	0	0	110.1	L243 N244 R343 D347	L243-T621 CarbonylContact C-O 3.47Å; L243-T621 WeakPolarHBondContact CA-O 3.39Å; N244-T621 PolarHBondContact N-O 2.62Å; N244-T621 PolarHBondContact O-N 2.95Å; R343-T621 HydrophobicContact CG-CG2 3.74Å; D347-T621 PolarHBondContact OD2-OG1 2.85Å
622	S	91.1	Very high	90.7	Very high	79 Å²	79	55 Å²	55	55%	0.552	27%	0.271	S	S	*	.			trans	-110.6	-4.8	-178.6	57.8	0	0	0	0	114.5	G242	G242-S622 WeakPolarHBondContact O-CA 3.26Å
623	Q	91.8	Very high	90.7	Very high	109 Å²	109	57 Å²	57	51%	0.509	28%	0.279	S	S	.	.			trans	-109.7	118.5	-179.2	-172.8	-178.5	19.3	0	0	110.4	R343	R343-Q623 WeakPolarHBondContact CD-O 3.36Å; R343-Q623 WeakPolarHBondContact CG-O 3.22Å; R343-Q623 PolarHBondContact NE-O 3.15Å
624	F	93	Very high	90.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.			trans	-110	-29.4	-179.6	-57.7	-91.7	0	0	0	112.9	E239 G242 N244 D332 N333 M339 R343 M626	E239-F624 VanDerWaalsContact OE1-CA 3.25Å; E239-F624 WeakPolarHBondContact OE1-CA 3.49Å; E239-F624 WeakPolarHBondContact OE1-CB 3.24Å; E239-F624 PolarHBondContact OE1-N 3.17Å; G242-F624 VanDerWaalsContact C-CE2 3.5Å; G242-F624 WeakPolarHBondContact O-CE2 3.41Å; N244-F624 WeakPolarHBondContact OD1-CE1 3.35Å; D332-F624 HydrophobicContact CB-CE1 4.44Å; D332-F624 HydrophobicContact CB-CZ 4.04Å; N333-F624 HydrophobicContact CB-CD1 4.43Å; N333-F624 HydrophobicContact CB-CE1 4.41Å; N333-F624 VanDerWaalsContact ND2-CD2 3.35Å; N333-F624 WeakPolarHBondContact ND2-CD2 3.39Å; N333-F624 VanDerWaalsContact ND2-CE2 3.28Å; N333-F624 WeakPolarHBondContact ND2-CE2 3.36Å; M339-F624 HydrophobicContact CB-CB 4.28Å; M339-F624 HydrophobicContact CB-CD1 4.35Å; M339-F624 HydrophobicContact CE-CB 3.47Å; M339-F624 VanDerWaalsContact CE-CB 3.47Å; M339-F624 HydrophobicContact CE-CG 4.44Å; R343-F624 HydrophobicContact CB-CD1 4.15Å; F624-M626 PolarHBondContact O-N 3.08Å
625	L	91.4	Very high	90.4	Very high	19 Å²	19	58.9 Å²	58.9	10%	0.099	29%	0.294	C	S	.	.			trans	-66.7	121.5	175.2	-76.5	177.8	0	0	0	109.6	E239 M339 L632 A636 M638	E239-L625 HydrophobicContact CB-CD1 3.61Å; E239-L625 HydrophobicContact CB-CG 4.12Å; E239-L625 HydrophobicContact CG-CB 4.39Å; E239-L625 HydrophobicContact CG-CD1 3.77Å; E239-L625 HydrophobicContact CG-CG 3.68Å; E239-L625 PolarHBondContact OE1-N 3.48Å; M339-L625 HydrophobicContact CE-CD2 4.43Å; L625-L632 HydrophobicContact CD1-CD2 4.47Å; L625-L632 HydrophobicContact CD2-CD2 4.24Å; L625-A636 HydrophobicContact CD2-CB 3.81Å; L625-M638 HydrophobicContact CD1-CE 4Å; L625-M638 HydrophobicContact CD1-CG 4.12Å; L625-M638 HydrophobicContact CD1-SD 4.31Å; L625-M638 HydrophobicContact CD2-CG 4.42Å
626	M	90.4	Very high	90.6	Very high	21 Å²	21	56.6 Å²	56.6	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149.6	176.4	-66.4	-179.5	-75	0	0	110	Y346 F624 K633	Y346-M626 HydrophobicContact CD2-SD 4.3Å; Y346-M626 HydrophobicContact CG-SD 4.19Å; F624-M626 PolarHBondContact O-N 3.08Å; M626-K633 HydrophobicContact CB-CB 4.06Å; M626-K633 HydrophobicContact CB-CD 4.36Å; M626-K633 PolarHBondContact O-N 2.97Å
627	M	90.1	Very high	90.9	Very high	93 Å²	93	56.4 Å²	56.4	46%	0.458	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.2	177.2	-64.4	-69.9	-73.6	0	0	109.2	F219 E630 K631 L632	F219-M627 HydrophobicContact CE1-CE 3.95Å; F219-M627 HydrophobicContact CZ-CE 4.02Å; F219-M627 HydrophobicContact CZ-SD 4.39Å; M627-E630 VanDerWaalsContact CE-C 3.44Å; M627-E630 VanDerWaalsContact CE-O 3.31Å; M627-E630 WeakPolarHBondContact CE-O 3.43Å; M627-K631 CarbonylContact C-O 3.51Å; M627-K631 VanDerWaalsContact CA-O 3.29Å; M627-K631 WeakPolarHBondContact CA-O 3.28Å; M627-L632 HydrophobicContact SD-CD2 3.58Å; M627-L632 VanDerWaalsContact SD-CD2 3.58Å; M627-L632 HydrophobicContact SD-CG 4.13Å
628	E	88.1	Confident	91.2	Very high	98 Å²	98	53.8 Å²	53.8	46%	0.458	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	120.5	172.4	-172	165.7	172.8	0	0	108.2	E630 K631 K633	E628-E630 PolarHBondContact O-N 3.37Å; E628-K631 PolarHBondContact N-O 3.19Å; E628-K631 PolarHBondContact O-N 3.22Å; E628-K631 VanDerWaalsContact O-N 3.07Å; E628-K633 HydrophobicContact CB-CB 4.17Å; E628-K633 HydrophobicContact CB-CD 4.3Å; E628-K633 HydrophobicContact CB-CG 4.44Å; E628-K633 VanDerWaalsContact OE2-CD 3.31Å; E628-K633 WeakPolarHBondContact OE2-CD 3.41Å; E628-K633 VanDerWaalsContact OE2-CE 3.24Å; E628-K633 WeakPolarHBondContact OE2-CE 3.41Å; E628-K633 IonicContact OE2-NZ 2.81Å; E628-K633 PolarHBondContact OE2-NZ 2.89Å
629	N	88.3	Confident	91.3	Very high	144 Å²	144	54.4 Å²	54.4	77%	0.77	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	51.5	-176.8	-57.4	-41.2	0	0	0	113.3	K631	N629-K631 PolarHBondContact O-N 3.19Å
630	E	84.8	Confident	91.4	Very high	182 Å²	182	53.2 Å²	53.2	85%	0.85	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	10.1	-179.3	-54.3	-178.8	165.2	0	0	115.4	M627 E628	M627-E630 VanDerWaalsContact CE-C 3.44Å; M627-E630 VanDerWaalsContact CE-O 3.31Å; M627-E630 WeakPolarHBondContact CE-O 3.43Å; E628-E630 PolarHBondContact O-N 3.37Å
631	K	88.6	Confident	91.3	Very high	137 Å²	137	55.6 Å²	55.6	60%	0.596	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	153.2	174.9	-64.4	-174.6	180	-173.6	0	111	M627 E628 N629 K633	M627-K631 CarbonylContact C-O 3.51Å; M627-K631 VanDerWaalsContact CA-O 3.29Å; M627-K631 WeakPolarHBondContact CA-O 3.28Å; E628-K631 PolarHBondContact N-O 3.19Å; E628-K631 PolarHBondContact O-N 3.22Å; E628-K631 VanDerWaalsContact O-N 3.07Å; N629-K631 PolarHBondContact O-N 3.19Å; K631-K633 PolarHBondContact O-N 3.4Å
632	L	91.7	Very high	91.1	Very high	17 Å²	17	57.5 Å²	57.5	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	128.1	172	-69.9	171.6	0	0	0	109.5	L48 F219 L625 M627 A636 M638	L48-L632 HydrophobicContact CD1-CB 3.98Å; F219-L632 HydrophobicContact CB-CD1 3.82Å; F219-L632 HydrophobicContact CD1-CG 4.49Å; F219-L632 HydrophobicContact CD2-CD2 4.46Å; F219-L632 HydrophobicContact CG-CD1 4.15Å; F219-L632 HydrophobicContact CG-CG 4.36Å; L625-L632 HydrophobicContact CD1-CD2 4.47Å; L625-L632 HydrophobicContact CD2-CD2 4.24Å; M627-L632 HydrophobicContact SD-CD2 3.58Å; M627-L632 VanDerWaalsContact SD-CD2 3.58Å; M627-L632 HydrophobicContact SD-CG 4.13Å; L632-A636 HydrophobicContact CB-CB 4.18Å; L632-M638 HydrophobicContact CD1-SD 4.37Å
633	K	92	Very high	91	Very high	87 Å²	87	58 Å²	58	38%	0.378	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.9	173.6	-174.3	179.3	-176	145.1	0	109.4	M626 E628 K631 P635	M626-K633 HydrophobicContact CB-CB 4.06Å; M626-K633 HydrophobicContact CB-CD 4.36Å; M626-K633 PolarHBondContact O-N 2.97Å; E628-K633 HydrophobicContact CB-CB 4.17Å; E628-K633 HydrophobicContact CB-CD 4.3Å; E628-K633 HydrophobicContact CB-CG 4.44Å; E628-K633 VanDerWaalsContact OE2-CD 3.31Å; E628-K633 WeakPolarHBondContact OE2-CD 3.41Å; E628-K633 VanDerWaalsContact OE2-CE 3.24Å; E628-K633 WeakPolarHBondContact OE2-CE 3.41Å; E628-K633 IonicContact OE2-NZ 2.81Å; E628-K633 PolarHBondContact OE2-NZ 2.89Å; K631-K633 PolarHBondContact O-N 3.4Å; K633-P635 CarbonylContact O-C 3.44Å
634	A	89.8	Confident	91	Very high	37 Å²	37	54.9 Å²	54.9	31%	0.306	27%	0.267	S	S	.	.	S	Bend	trans	-71.9	147.8	175.2	0	0	0	0	0	111.5	L48 Y139	L48-A634 HydrophobicContact CD2-CB 3.76Å; Y139-A634 HydrophobicContact CE1-CB 3.56Å
635	P	91.6	Very high	90.8	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.032	30%	0.301	C	S	.	.	S	Bend	cis	-72.9	139.9	-8.9	32.7	-38.2	0	0	0	111.9	Y139 D337 M339 K633	Y139-P635 HydrophobicContact CE1-CB 4.38Å; Y139-P635 HydrophobicContact CE2-CB 4.49Å; D337-P635 HydrophobicContact CB-CB 3.81Å; D337-P635 WeakPolarHBondContact O-CB 3.35Å; D337-P635 WeakPolarHBondContact O-CG 3.33Å; M339-P635 HydrophobicContact CB-CG 4.49Å; M339-P635 HydrophobicContact CG-CB 3.95Å; M339-P635 HydrophobicContact CG-CG 3.7Å; K633-P635 CarbonylContact O-C 3.44Å
636	A	93.1	Very high	90.8	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	30%	0.3	C	S	.	.			trans	-133.8	78.8	-177.2	0	0	0	0	0	111.4	N47 L48 S215 L625 L632	N47-A636 CarbonylContact C-O 3.56Å; L48-A636 HydrophobicContact CD1-CB 4.08Å; S215-A636 WeakPolarHBondContact CB-O 3.37Å; S215-A636 PolarHBondContact OG-O 3.17Å; L625-A636 HydrophobicContact CD2-CB 3.81Å; L632-A636 HydrophobicContact CB-CB 4.18Å
637	W	94.5	Very high	91.1	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.008	30%	0.303	C	S	.	.			trans	-85.8	138.4	172.4	-70.4	82.3	0	0	0	112.2	K45 L46 N47 V52 L240 Y336 D337 M339	K45-W637 HydrophobicContact CB-CE3 4.2Å; K45-W637 HydrophobicContact CB-CZ3 4.19Å; L46-W637 CarbonylContact O-C 3.46Å; L46-W637 VanDerWaalsContact O-CA 3.25Å; L46-W637 WeakPolarHBondContact O-CA 3.32Å; L46-W637 VanDerWaalsContact O-CE3 3.22Å; N47-W637 HydrophobicContact CB-CD2 3.83Å; N47-W637 HydrophobicContact CB-CE3 4.01Å; N47-W637 HydrophobicContact CB-CG 4.49Å; N47-W637 HydrophobicContact CB-CH2 3.79Å; N47-W637 HydrophobicContact CB-CZ2 3.63Å; N47-W637 HydrophobicContact CB-CZ3 3.99Å; V52-W637 HydrophobicContact CG1-CH2 4.33Å; V52-W637 HydrophobicContact CG2-CH2 4.14Å; V52-W637 HydrophobicContact CG2-CZ3 3.68Å; L240-W637 HydrophobicContact CD1-CB 3.43Å; L240-W637 VanDerWaalsContact CD1-CB 3.43Å; L240-W637 HydrophobicContact CD1-CG 4.28Å; L240-W637 HydrophobicContact CG-CB 3.88Å; Y336-W637 AromaticContact CD1-CD2 3.94Å; Y336-W637 HydrophobicContact CD1-CD2 3.94Å; Y336-W637 HydrophobicContact CD1-CE3 4.07Å; Y336-W637 HydrophobicContact CD1-CG 4.14Å; Y336-W637 HydrophobicContact CG-CG 4.46Å; Y336-W637 PolarHBondContact O-NE1 3.09Å; D337-W637 WeakPolarHBondContact OD2-CZ2 3.45Å; D337-W637 PolarHBondContact OD2-NE1 3.08Å; M339-W637 HydrophobicContact SD-CB 3.51Å; M339-W637 VanDerWaalsContact SD-CB 3.51Å; M339-W637 HydrophobicContact SD-CG 4.05Å; M339-W637 PolarHBondContact SD-N 3.36Å; M339-W637 VanDerWaalsContact SD-N 3.45Å
638	M	94.3	Very high	91.4	Very high	7 Å²	7	58.8 Å²	58.8	3%	0.034	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.7	175.4	-60.6	-173.5	84.5	0	0	109.7	K45 L46 C237 D238 L625 L632	K45-M638 CarbonylContact C-O 3.5Å; K45-M638 WeakPolarHBondContact CA-O 3.32Å; L46-M638 HydrophobicContact CB-CB 4.39Å; L46-M638 PolarHBondContact N-O 3.4Å; L46-M638 PolarHBondContact O-N 2.91Å; C237-M638 HydrophobicContact CB-CB 4.27Å; C237-M638 HydrophobicContact CB-CE 4.22Å; C237-M638 WeakPolarHBondContact SG-CE 3.47Å; D238-M638 CarbonylContact O-C 3.59Å; D238-M638 VanDerWaalsContact O-CA 3.25Å; D238-M638 WeakPolarHBondContact O-CA 3.32Å; D238-M638 VanDerWaalsContact O-CB 3.31Å; D238-M638 WeakPolarHBondContact O-CB 3.33Å; L625-M638 HydrophobicContact CD1-CE 4Å; L625-M638 HydrophobicContact CD1-CG 4.12Å; L625-M638 HydrophobicContact CD1-SD 4.31Å; L625-M638 HydrophobicContact CD2-CG 4.42Å; L632-M638 HydrophobicContact CD1-SD 4.37Å
639	R	92.7	Very high	91.7	Very high	13 Å²	13	55.7 Å²	55.7	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.7	173.5	-179.6	178.6	67.1	-171.2	-0.1	109.4	C237 D238 L240 Y560 L561	C237-R639 CarbonylContact C-O 3.56Å; C237-R639 WeakPolarHBondContact CA-O 3.33Å; C237-R639 WeakPolarHBondContact CB-O 3.39Å; D238-R639 PolarHBondContact N-O 2.96Å; D238-R639 PolarHBondContact O-N 2.81Å; L240-R639 HydrophobicContact CD2-CB 3.92Å; Y560-R639 PolarHBondContact O-NH1 3.49Å; L561-R639 VanDerWaalsContact CA-NH1 3.32Å
640	S	94.3	Very high	92.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	140.4	169.7	-175.7	0	0	0	0	111	R44 M209 S210 A211	R44-S640 WeakPolarHBondContact O-CB 3.36Å; R44-S640 PolarHBondContact O-N 2.88Å; M209-S640 WeakPolarHBondContact CB-OG 3.41Å; S210-S640 PolarHBondContact N-OG 3.49Å; S210-S640 VanDerWaalsContact N-OG 3.12Å; A211-S640 WeakPolarHBondContact CB-OG 3.27Å; A211-S640 PolarHBondContact N-OG 3.03Å
641	R	91.6	Very high	92.6	Very high	93 Å²	93	42.8 Å²	42.8	35%	0.351	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-73.5	153.6	164.8	-74.1	-160.3	175.3	-174.9	4.2	111.5	S210 I235 F236 D238	S210-R641 PolarHBondContact N-O 3.41Å; S210-R641 PolarHBondContact OG-O 2.97Å; I235-R641 HydrophobicContact CG2-CG 4.48Å; I235-R641 VanDerWaalsContact CG2-CZ 3.46Å; F236-R641 PolarHBondContact O-N 2.65Å; D238-R641 IonicContact OD1-CZ 3.72Å; D238-R641 VanDerWaalsContact OD1-CZ 3.26Å; D238-R641 IonicContact OD1-NE 2.67Å; D238-R641 PolarHBondContact OD1-NE 2.96Å; D238-R641 IonicContact OD1-NH2 3.69Å; D238-R641 PolarHBondContact OD1-NH2 2.89Å; D238-R641 WeakPolarHBondContact OD2-CG 3.26Å; D238-R641 IonicContact OD2-CZ 3.76Å; D238-R641 IonicContact OD2-NE 4Å; D238-R641 PolarHBondContact OD2-NE 3.3Å; D238-R641 IonicContact OD2-NH2 3.79Å
642	E	90	Very high	92.8	Very high	63 Å²	63	42.6 Å²	42.6	29%	0.294	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-68.4	132.4	168	-63.3	170.5	-144.9	0	0	109	M209 L561 R646	M209-E642 HydrophobicContact CE-CB 4.49Å; M209-E642 HydrophobicContact CE-CG 3.91Å; L561-E642 HydrophobicContact CD1-CG 4.09Å; L561-E642 WeakPolarHBondContact CD1-OE1 3.48Å; E642-R646 HydrophobicContact CG-CG 4.4Å; E642-R646 IonicContact OE1-CZ 2.97Å; E642-R646 IonicContact OE1-NE 3.11Å; E642-R646 PolarHBondContact OE1-NE 3.41Å; E642-R646 IonicContact OE1-NH1 3.86Å; E642-R646 IonicContact OE1-NH2 3.84Å; E642-R646 PolarHBondContact OE1-NH2 3.27Å; E642-R646 IonicContact OE2-CZ 2.94Å; E642-R646 IonicContact OE2-NE 2.74Å; E642-R646 PolarHBondContact OE2-NE 2.98Å; E642-R646 IonicContact OE2-NH2 2.96Å
643	H	89.8	Confident	92.8	Very high	90 Å²	90	42.3 Å²	42.3	42%	0.417	20%	0.195	S	C	.	.	S	Bend	trans	-83.3	-33.5	175.9	-176.3	72.6	0	0	0	111.7	P208 S210	P208-H643 HydrophobicContact CB-CB 4.03Å; P208-H643 HydrophobicContact CG-CB 4.1Å; P208-H643 WeakPolarHBondContact O-CB 3.34Å; P208-H643 PolarHBondContact O-N 3.44Å; S210-H643 WeakPolarHBondContact OG-CA 3.32Å; S210-H643 WeakPolarHBondContact OG-CB 3.43Å
644	S	90.4	Very high	92.6	Very high	43 Å²	43	39.7 Å²	39.7	30%	0.301	19%	0.19	S	C	.	.	S	Bend	trans	-150.4	172.4	177.1	68.2	0	0	0	0	110.8	N206 P208	N206-S644 PolarHBondContact ND2-OG 2.93Å; P208-S644 WeakPolarHBondContact CG-OG 3.33Å
645	E	90.1	Very high	92.3	Very high	152 Å²	152	38.7 Å²	38.7	71%	0.71	18%	0.181	S	C	*	.			trans	-58.3	135.3	-177.4	-174.8	179.1	-172.7	0	0	112.5	N206	N206-E645 PolarHBondContact ND2-O 3.24Å
646	R	91.8	Very high	92	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.091	21%	0.214	C	C	.	.			trans	-83.8	136.9	-179.8	-63.9	179.1	-73.9	170.4	-8.7	111.8	F41 N206 N207 E288 E642	F41-R646 HydrophobicContact CE2-CB 4.23Å; F41-R646 HydrophobicContact CZ-CB 4.24Å; N206-R646 VanDerWaalsContact O-CA 3.24Å; N206-R646 WeakPolarHBondContact O-CA 3.35Å; N207-R646 HydrophobicContact CB-CG 4.15Å; E288-R646 IonicContact OE2-CZ 2.74Å; E288-R646 IonicContact OE2-NH1 3.72Å; E288-R646 PolarHBondContact OE2-NH1 2.96Å; E642-R646 HydrophobicContact CG-CG 4.4Å; E642-R646 IonicContact OE1-CZ 2.97Å; E642-R646 IonicContact OE1-NE 3.11Å; E642-R646 PolarHBondContact OE1-NE 3.41Å; E642-R646 IonicContact OE1-NH1 3.86Å; E642-R646 IonicContact OE1-NH2 3.84Å; E642-R646 PolarHBondContact OE1-NH2 3.27Å; E642-R646 IonicContact OE2-CZ 2.94Å; E642-R646 IonicContact OE2-NE 2.74Å; E642-R646 PolarHBondContact OE2-NE 2.98Å; E642-R646 IonicContact OE2-NH2 2.96Å
647	F	94.9	Very high	91.7	Very high	39 Å²	39	48.4 Å²	48.4	17%	0.171	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	158.1	170.2	60.5	-97.5	0	0	0	112.4	Y33 E204 N206 R649	Y33-F647 HydrophobicContact CD1-CB 4.15Å; Y33-F647 HydrophobicContact CE1-CB 4.16Å; Y33-F647 HydrophobicContact CE1-CD2 4.09Å; Y33-F647 HydrophobicContact CE1-CG 4.11Å; E204-F647 HydrophobicContact CG-CE2 4.11Å; N206-F647 HydrophobicContact CB-CD1 3.79Å; N206-F647 HydrophobicContact CB-CD2 4.06Å; N206-F647 HydrophobicContact CB-CE1 3.45Å; N206-F647 VanDerWaalsContact CB-CE1 3.45Å; N206-F647 HydrophobicContact CB-CE2 3.72Å; N206-F647 HydrophobicContact CB-CG 4.08Å; N206-F647 HydrophobicContact CB-CZ 3.41Å; N206-F647 VanDerWaalsContact CB-CZ 3.41Å; N206-F647 PolarHBondContact N-O 3.3Å; N206-F647 PolarHBondContact O-N 3.42Å; N206-F647 VanDerWaalsContact O-N 3.07Å; F647-R649 HydrophobicContact CD2-CB 4.37Å; F647-R649 HydrophobicContact CD2-CG 3.89Å; F647-R649 HydrophobicContact CE2-CG 3.9Å
648	L	96.5	Very high	91.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.6	167.3	168.8	62.9	0	0	0	107.4	V34 T39 F41 I114 V171 V173 I203 I205	V34-L648 HydrophobicContact CB-CB 4.29Å; V34-L648 HydrophobicContact CB-CD2 4.06Å; V34-L648 HydrophobicContact CB-CG 4.17Å; V34-L648 HydrophobicContact CG2-CB 4.4Å; V34-L648 HydrophobicContact CG2-CD2 3.7Å; V34-L648 HydrophobicContact CG2-CG 3.77Å; V34-L648 PolarHBondContact N-O 3.46Å; T39-L648 HydrophobicContact CG2-CD2 4.13Å; F41-L648 HydrophobicContact CZ-CB 4.48Å; I114-L648 HydrophobicContact CD1-CD1 3.56Å; I114-L648 HydrophobicContact CD1-CD2 4.25Å; I114-L648 HydrophobicContact CG1-CD1 4.39Å; V171-L648 HydrophobicContact CG1-CD2 4.3Å; V173-L648 HydrophobicContact CG2-CD2 3.71Å; I203-L648 HydrophobicContact CG2-CD1 3.73Å; I205-L648 HydrophobicContact CG1-CD1 3.89Å
649	R	95.8	Very high	91.1	Very high	34 Å²	34	55 Å²	55	13%	0.128	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	155.7	-179.8	68.6	-176.2	-177.3	-176.2	-8.6	112.7	Y31 N32 Y33 I203 E204 F647 Y651	Y31-R649 HydrophobicContact CD1-CG 4.31Å; N32-R649 CarbonylContact O-C 3.54Å; N32-R649 WeakPolarHBondContact O-CA 3.39Å; N32-R649 VanDerWaalsContact O-CB 3.28Å; N32-R649 WeakPolarHBondContact O-CB 3.28Å; Y33-R649 HydrophobicContact CD1-CB 3.86Å; Y33-R649 HydrophobicContact CE1-CB 4.01Å; Y33-R649 HydrophobicContact CE1-CG 4.41Å; Y33-R649 HydrophobicContact CG-CB 4.24Å; Y33-R649 PolarHBondContact OH-NH1 2.82Å; I203-R649 WeakPolarHBondContact CA-O 3.36Å; E204-R649 HydrophobicContact CB-CG 4.05Å; E204-R649 VanDerWaalsContact CD-NH2 3.28Å; E204-R649 PolarHBondContact N-O 2.87Å; E204-R649 PolarHBondContact O-N 3.08Å; E204-R649 IonicContact OE1-CZ 2.79Å; E204-R649 IonicContact OE1-NE 2.73Å; E204-R649 IonicContact OE1-NH2 3.87Å; E204-R649 PolarHBondContact OE1-NH2 2.73Å; E204-R649 VanDerWaalsContact OE1-NH2 3.11Å; E204-R649 IonicContact OE2-CZ 3.18Å; E204-R649 IonicContact OE2-NE 3.7Å; E204-R649 PolarHBondContact OE2-NE 2.93Å; E204-R649 IonicContact OE2-NH2 2.81Å; E204-R649 PolarHBondContact OE2-NH2 3.48Å; F647-R649 HydrophobicContact CD2-CB 4.37Å; F647-R649 HydrophobicContact CD2-CG 3.89Å; F647-R649 HydrophobicContact CE2-CG 3.9Å; R649-Y651 HydrophobicContact CG-CD1 4.43Å
650	W	96	Very high	91.1	Very high	21 Å²	21	56.4 Å²	56.4	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.9	170.4	73.3	96.9	0	0	0	111.3	N32 V34 M184 F202 I203	N32-W650 HydrophobicContact CB-CD2 3.59Å; N32-W650 HydrophobicContact CB-CE3 3.87Å; N32-W650 HydrophobicContact CB-CG 4.23Å; N32-W650 HydrophobicContact CB-CH2 3.65Å; N32-W650 HydrophobicContact CB-CZ2 3.35Å; N32-W650 HydrophobicContact CB-CZ3 3.87Å; N32-W650 PolarHBondContact N-O 3.31Å; N32-W650 VanDerWaalsContact O-CE3 3.24Å; N32-W650 PolarHBondContact O-N 3.09Å; V34-W650 HydrophobicContact CG2-CE3 4.07Å; V34-W650 HydrophobicContact CG2-CZ3 3.57Å; M184-W650 HydrophobicContact CE-CB 4.26Å; M184-W650 HydrophobicContact CE-CD2 3.89Å; M184-W650 HydrophobicContact CE-CE3 3.46Å; M184-W650 VanDerWaalsContact CE-CE3 3.46Å; M184-W650 HydrophobicContact CE-CG 4.27Å; M184-W650 HydrophobicContact CE-CZ3 4.13Å; M184-W650 HydrophobicContact CG-CD2 4.32Å; M184-W650 HydrophobicContact CG-CG 4.23Å; F202-W650 CarbonylContact O-C 3.39Å; F202-W650 WeakPolarHBondContact O-CA 3.49Å; F202-W650 WeakPolarHBondContact O-CB 3.25Å; I203-W650 HydrophobicContact CG1-CB 3.96Å
651	Y	95.3	Very high	91	Very high	34 Å²	34	63 Å²	63	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	166.1	-174.1	56.3	-85.4	0	0	0	111.2	I30 Y31 F202 E204 R649	I30-Y651 VanDerWaalsContact O-CB 3.24Å; I30-Y651 WeakPolarHBondContact O-CB 3.44Å; Y31-Y651 AromaticContact CD1-CD1 3.47Å; Y31-Y651 HydrophobicContact CD1-CD1 3.47Å; Y31-Y651 VanDerWaalsContact CD1-CD1 3.47Å; Y31-Y651 HydrophobicContact CD1-CE1 4.15Å; Y31-Y651 AromaticContact CD1-CG 3.68Å; Y31-Y651 HydrophobicContact CD1-CG 3.68Å; Y31-Y651 AromaticContact CE1-CD1 3.55Å; Y31-Y651 HydrophobicContact CE1-CD1 3.55Å; Y31-Y651 HydrophobicContact CE1-CD2 4.09Å; Y31-Y651 AromaticContact CE1-CE1 3.85Å; Y31-Y651 HydrophobicContact CE1-CE1 3.85Å; Y31-Y651 HydrophobicContact CE1-CE2 4.39Å; Y31-Y651 AromaticContact CE1-CG 3.66Å; Y31-Y651 HydrophobicContact CE1-CG 3.66Å; F202-Y651 HydrophobicContact CB-CD2 4.19Å; F202-Y651 HydrophobicContact CB-CE1 4.27Å; F202-Y651 HydrophobicContact CB-CE2 3.79Å; F202-Y651 HydrophobicContact CG-CE2 4.39Å; F202-Y651 PolarHBondContact N-O 2.84Å; F202-Y651 PolarHBondContact O-N 3.49Å; E204-Y651 HydrophobicContact CB-CE1 3.96Å; R649-Y651 HydrophobicContact CG-CD1 4.43Å
652	R	93.3	Very high	91.1	Very high	133 Å²	133	61.6 Å²	61.6	50%	0.502	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.8	171.1	-178	174.1	-174.9	172.2	3.1	109.2	L191 D197 T199 R200	L191-R652 HydrophobicContact CD1-CB 4.05Å; L191-R652 HydrophobicContact CD1-CG 3.84Å; D197-R652 VanDerWaalsContact CG-NH2 3.29Å; D197-R652 IonicContact OD1-NH2 3.33Å; D197-R652 PolarHBondContact OD1-NH2 2.81Å; D197-R652 IonicContact OD2-CZ 3.74Å; D197-R652 IonicContact OD2-NH2 2.62Å; D197-R652 PolarHBondContact OD2-NH2 2.87Å; T199-R652 HydrophobicContact CG2-CG 4.41Å; T199-R652 PolarHBondContact OG1-NE 3.04Å; T199-R652 PolarHBondContact OG1-NH2 3.14Å; R200-R652 WeakPolarHBondContact O-CA 3.11Å
653	G	91.4	Very high	91.4	Very high	10 Å²	10	63 Å²	63	10%	0.103	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146	177.8	0	0	0	0	0	111.7	T199 R200	T199-G653 CarbonylContact C-O 3.47Å; T199-G653 VanDerWaalsContact CA-O 3.26Å; T199-G653 WeakPolarHBondContact CA-O 3.18Å; T199-G653 WeakPolarHBondContact CB-O 3.46Å; R200-G653 PolarHBondContact N-O 2.9Å; R200-G653 PolarHBondContact O-N 3.21Å
654	A	87.2	Confident	91.7	Very high	33 Å²	33	61.3 Å²	61.3	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	161.5	172.6	0	0	0	0	0	111	V658	A654-V658 HydrophobicContact CB-CB 4.12Å; A654-V658 HydrophobicContact CB-CG1 4.01Å
655	S	84	Confident	92	Very high	16 Å²	16	62.8 Å²	62.8	11%	0.112	35%	0.35	C	S	.	.			trans	-72.1	156	172.7	66.8	0	0	0	0	111.5	D198 T657 V658 D659	D198-S655 PolarHBondContact O-N 3.33Å; D198-S655 VanDerWaalsContact OD2-CB 3.24Å; D198-S655 WeakPolarHBondContact OD2-CB 3.04Å; D198-S655 PolarHBondContact OD2-OG 2.97Å; S655-T657 PolarHBondContact O-N 3.44Å; S655-T657 PolarHBondContact OG-OG1 2.89Å; S655-V658 PolarHBondContact O-N 3.49Å; S655-V658 WeakPolarHBondContact OG-CG2 3.28Å; S655-V658 PolarHBondContact OG-N 2.81Å; S655-D659 PolarHBondContact O-N 3.34Å; S655-D659 VanDerWaalsContact O-N 3.09Å
656	P	85	Confident	92.3	Very high	111 Å²	111	57.4 Å²	57.4	72%	0.721	34%	0.335	S	S	*	.	H	α-helix	trans	-56.4	-25.1	173.1	-25.6	34.6	0	0	0	113.6	G660	P656-G660 PolarHBondContact O-N 2.88Å
657	T	86.9	Confident	92.5	Very high	99 Å²	99	60.8 Å²	60.8	61%	0.607	35%	0.354	S	S	*	.	H	α-helix	trans	-71.9	-42	176.6	37.2	0	0	0	0	112.2	D198 S655 F661	D198-T657 PolarHBondContact OD2-OG1 3.33Å; S655-T657 PolarHBondContact O-N 3.44Å; S655-T657 PolarHBondContact OG-OG1 2.89Å; T657-F661 WeakPolarHBondContact O-CB 3.47Å; T657-F661 PolarHBondContact O-N 2.95Å
658	V	88.5	Confident	92.7	Very high	57 Å²	57	64.7 Å²	64.7	35%	0.345	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-41.1	175.8	172.1	0	0	0	0	110.9	D198 A654 S655 F661 S662	D198-V658 HydrophobicContact CB-CG2 4.11Å; A654-V658 HydrophobicContact CB-CB 4.12Å; A654-V658 HydrophobicContact CB-CG1 4.01Å; S655-V658 PolarHBondContact O-N 3.49Å; S655-V658 WeakPolarHBondContact OG-CG2 3.28Å; S655-V658 PolarHBondContact OG-N 2.81Å; V658-F661 PolarHBondContact O-N 3.4Å; V658-S662 WeakPolarHBondContact O-CB 3.34Å; V658-S662 PolarHBondContact O-N 2.99Å; V658-S662 PolarHBondContact O-OG 2.93Å
659	D	88	Confident	92.7	Very high	90 Å²	90	68.9 Å²	68.9	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-47.3	175.5	-71.7	-13.3	0	0	0	111	S655 F661 S662 V663	S655-D659 PolarHBondContact O-N 3.34Å; S655-D659 VanDerWaalsContact O-N 3.09Å; D659-F661 VanDerWaalsContact C-N 3.33Å; D659-F661 PolarHBondContact O-N 3.25Å; D659-S662 PolarHBondContact O-N 2.95Å; D659-S662 VanDerWaalsContact O-N 3.17Å; D659-V663 WeakPolarHBondContact O-CG2 3.39Å; D659-V663 PolarHBondContact O-N 2.91Å
660	G	91.6	Very high	92.7	Very high	42 Å²	42	73.2 Å²	73.2	43%	0.433	42%	0.416	S	S	.	.	H	α-helix	trans	-59.3	-42.2	176.5	0	0	0	0	0	112.7	P656 A664	P656-G660 PolarHBondContact O-N 2.88Å; G660-A664 WeakPolarHBondContact O-CB 3.4Å; G660-A664 PolarHBondContact O-N 3.29Å
661	F	93.6	Very high	92.8	Very high	138 Å²	138	75.2 Å²	75.2	61%	0.605	43%	0.431	S	S	*	.	H	α-helix	trans	-64.1	-42.7	174.7	179.6	-98	0	0	0	112	T657 V658 D659 V663 A664 L665	T657-F661 WeakPolarHBondContact O-CB 3.47Å; T657-F661 PolarHBondContact O-N 2.95Å; V658-F661 PolarHBondContact O-N 3.4Å; D659-F661 VanDerWaalsContact C-N 3.33Å; D659-F661 PolarHBondContact O-N 3.25Å; F661-V663 PolarHBondContact O-N 2.8Å; F661-A664 PolarHBondContact O-N 2.59Å; F661-L665 HydrophobicContact CE1-CD2 4.15Å; F661-L665 VanDerWaalsContact O-CB 3.32Å; F661-L665 WeakPolarHBondContact O-CB 3.27Å; F661-L665 PolarHBondContact O-N 3.45Å
662	S	93.1	Very high	92.8	Very high	64 Å²	64	77 Å²	77	45%	0.448	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-42.7	-179.9	-59.5	0	0	0	0	111.7	V658 D659 L665 G666	V658-S662 WeakPolarHBondContact O-CB 3.34Å; V658-S662 PolarHBondContact O-N 2.99Å; V658-S662 PolarHBondContact O-OG 2.93Å; D659-S662 PolarHBondContact O-N 2.95Å; D659-S662 VanDerWaalsContact O-N 3.17Å; S662-L665 PolarHBondContact O-N 3.3Å; S662-G666 PolarHBondContact O-N 2.87Å
663	V	95.7	Very high	92.9	Very high	92 Å²	92	74.7 Å²	74.7	56%	0.558	44%	0.444	S	S	*	.	H	α-helix	trans	-64.4	-45.2	174.3	174	0	0	0	0	110.9	D659 F661 L665 G666 I667	D659-V663 WeakPolarHBondContact O-CG2 3.39Å; D659-V663 PolarHBondContact O-N 2.91Å; F661-V663 PolarHBondContact O-N 2.8Å; V663-L665 PolarHBondContact O-N 3.41Å; V663-G666 PolarHBondContact O-N 2.95Å; V663-I667 HydrophobicContact CG1-CD1 3.93Å; V663-I667 WeakPolarHBondContact O-CG1 3.39Å; V663-I667 PolarHBondContact O-N 3.34Å
664	A	96.4	Very high	93.2	Very high	55 Å²	55	79.3 Å²	79.3	46%	0.455	47%	0.465	S	S	.	.	H	α-helix	trans	-62	-42.7	178.4	0	0	0	0	0	112.1	G660 F661 I667 F668	G660-A664 WeakPolarHBondContact O-CB 3.4Å; G660-A664 PolarHBondContact O-N 3.29Å; F661-A664 PolarHBondContact O-N 2.59Å; A664-I667 PolarHBondContact O-N 2.92Å; A664-F668 WeakPolarHBondContact O-CB 3.35Å; A664-F668 PolarHBondContact O-N 2.92Å
665	L	96.6	Very high	93.5	Very high	74 Å²	74	83 Å²	83	39%	0.387	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-42.3	175.2	-178.7	62.5	0	0	0	111.3	F661 S662 V663 F668 L669	F661-L665 HydrophobicContact CE1-CD2 4.15Å; F661-L665 VanDerWaalsContact O-CB 3.32Å; F661-L665 WeakPolarHBondContact O-CB 3.27Å; F661-L665 PolarHBondContact O-N 3.45Å; S662-L665 PolarHBondContact O-N 3.3Å; V663-L665 PolarHBondContact O-N 3.41Å; L665-F668 PolarHBondContact O-N 2.93Å; L665-L669 HydrophobicContact CD1-CD1 4.2Å; L665-L669 HydrophobicContact CD1-CG 4.21Å; L665-L669 HydrophobicContact CG-CD1 4.06Å; L665-L669 HydrophobicContact CG-CG 4.46Å; L665-L669 WeakPolarHBondContact O-CB 3.36Å; L665-L669 VanDerWaalsContact O-CG 3.32Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 2.84Å
666	G	96.7	Very high	94	Very high	40 Å²	40	86.2 Å²	86.2	41%	0.412	50%	0.495	S	S	.	.	H	α-helix	trans	-59.9	-47.4	175.2	0	0	0	0	0	112.5	S662 V663 F668 L669 M670	S662-G666 PolarHBondContact O-N 2.87Å; V663-G666 PolarHBondContact O-N 2.95Å; G666-F668 PolarHBondContact O-N 2.88Å; G666-L669 PolarHBondContact O-N 3.49Å; G666-M670 WeakPolarHBondContact O-CB 3.46Å; G666-M670 PolarHBondContact O-N 3.28Å
667	I	97.2	Very high	94.4	Very high	95 Å²	95	83.5 Å²	83.5	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-45.1	175.6	-66.9	168.4	0	0	0	110.4	V663 A664 M670 T671	V663-I667 HydrophobicContact CG1-CD1 3.93Å; V663-I667 WeakPolarHBondContact O-CG1 3.39Å; V663-I667 PolarHBondContact O-N 3.34Å; A664-I667 PolarHBondContact O-N 2.92Å; I667-M670 PolarHBondContact O-N 2.84Å; I667-T671 HydrophobicContact CG2-CG2 4.36Å; I667-T671 VanDerWaalsContact O-CG2 3.32Å; I667-T671 WeakPolarHBondContact O-CG2 3.23Å; I667-T671 PolarHBondContact O-N 3.39Å; I667-T671 PolarHBondContact O-OG1 3.39Å
668	F	97.5	Very high	94.7	Very high	120 Å²	120	83.1 Å²	83.1	53%	0.526	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-50.3	178.3	175.6	-102.5	0	0	0	111.9	A664 L665 G666 M670 T671 L672	A664-F668 WeakPolarHBondContact O-CB 3.35Å; A664-F668 PolarHBondContact O-N 2.92Å; L665-F668 PolarHBondContact O-N 2.93Å; G666-F668 PolarHBondContact O-N 2.88Å; F668-M670 VanDerWaalsContact C-N 3.32Å; F668-M670 PolarHBondContact O-N 3.39Å; F668-T671 PolarHBondContact O-N 2.81Å; F668-T671 PolarHBondContact O-OG1 3.34Å; F668-L672 HydrophobicContact CE1-CD2 4.31Å; F668-L672 HydrophobicContact CZ-CD2 4.48Å; F668-L672 WeakPolarHBondContact O-CB 3.32Å; F668-L672 PolarHBondContact O-N 2.88Å
669	L	97.1	Very high	94.9	Very high	89 Å²	89	88 Å²	88	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-38.1	178.7	-69.4	173.4	0	0	0	112.1	L665 G666 L672 T673	L665-L669 HydrophobicContact CD1-CD1 4.2Å; L665-L669 HydrophobicContact CD1-CG 4.21Å; L665-L669 HydrophobicContact CG-CD1 4.06Å; L665-L669 HydrophobicContact CG-CG 4.46Å; L665-L669 WeakPolarHBondContact O-CB 3.36Å; L665-L669 VanDerWaalsContact O-CG 3.32Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 2.84Å; G666-L669 PolarHBondContact O-N 3.49Å; L669-L672 PolarHBondContact O-N 2.86Å; L669-T673 WeakPolarHBondContact O-CB 3.3Å; L669-T673 VanDerWaalsContact O-CG2 3.26Å; L669-T673 WeakPolarHBondContact O-CG2 3.28Å; L669-T673 PolarHBondContact O-N 2.87Å; L669-T673 PolarHBondContact O-OG1 3.29Å
670	M	96.6	Very high	95	Very high	124 Å²	124	87.8 Å²	87.8	61%	0.611	49%	0.487	S	S	*	.	H	α-helix	trans	-65	-42.5	175.8	-172.7	178.9	65.9	0	0	111.7	G666 I667 F668 T673 L674	G666-M670 WeakPolarHBondContact O-CB 3.46Å; G666-M670 PolarHBondContact O-N 3.28Å; I667-M670 PolarHBondContact O-N 2.84Å; F668-M670 VanDerWaalsContact C-N 3.32Å; F668-M670 PolarHBondContact O-N 3.39Å; M670-T673 WeakPolarHBondContact CA-OG1 3.43Å; M670-T673 PolarHBondContact O-OG1 2.89Å; M670-L674 WeakPolarHBondContact O-CB 3.26Å; M670-L674 PolarHBondContact O-N 2.93Å
671	T	96.4	Very high	94.8	Very high	63 Å²	63	91.9 Å²	91.9	39%	0.387	49%	0.493	S	S	.	.	H	α-helix	trans	-68.4	-41.2	177.2	58.6	0	0	0	0	112	I667 F668 L674 L675	I667-T671 HydrophobicContact CG2-CG2 4.36Å; I667-T671 VanDerWaalsContact O-CG2 3.32Å; I667-T671 WeakPolarHBondContact O-CG2 3.23Å; I667-T671 PolarHBondContact O-N 3.39Å; I667-T671 PolarHBondContact O-OG1 3.39Å; F668-T671 PolarHBondContact O-N 2.81Å; F668-T671 PolarHBondContact O-OG1 3.34Å; T671-L674 PolarHBondContact O-N 3.31Å; T671-L675 WeakPolarHBondContact O-CG 3.43Å; T671-L675 PolarHBondContact O-N 3.48Å
672	L	96.1	Very high	94.5	Very high	72 Å²	72	90.1 Å²	90.1	38%	0.377	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-45.2	176.9	-177.9	64.7	0	0	0	111.5	F668 L669 L674 L675 I676	F668-L672 HydrophobicContact CE1-CD2 4.31Å; F668-L672 HydrophobicContact CZ-CD2 4.48Å; F668-L672 WeakPolarHBondContact O-CB 3.32Å; F668-L672 PolarHBondContact O-N 2.88Å; L669-L672 PolarHBondContact O-N 2.86Å; L672-L674 VanDerWaalsContact C-N 3.35Å; L672-L675 PolarHBondContact O-N 3.35Å; L672-I676 HydrophobicContact CD1-CD1 4.22Å; L672-I676 HydrophobicContact CG-CD1 3.95Å; L672-I676 VanDerWaalsContact O-CG1 3.27Å; L672-I676 WeakPolarHBondContact O-CG1 3.31Å; L672-I676 PolarHBondContact O-N 3.4Å
673	T	96.1	Very high	94.1	Very high	85 Å²	85	89.4 Å²	89.4	52%	0.521	48%	0.479	S	S	.	.	H	α-helix	trans	-65.5	-38	177.4	50.6	0	0	0	0	111.8	L669 M670 I676 A677	L669-T673 WeakPolarHBondContact O-CB 3.3Å; L669-T673 VanDerWaalsContact O-CG2 3.26Å; L669-T673 WeakPolarHBondContact O-CG2 3.28Å; L669-T673 PolarHBondContact O-N 2.87Å; L669-T673 PolarHBondContact O-OG1 3.29Å; M670-T673 WeakPolarHBondContact CA-OG1 3.43Å; M670-T673 PolarHBondContact O-OG1 2.89Å; T673-I676 PolarHBondContact O-N 2.89Å; T673-A677 VanDerWaalsContact O-CB 3.27Å; T673-A677 WeakPolarHBondContact O-CB 3.44Å; T673-A677 PolarHBondContact O-N 2.7Å
674	L	95.9	Very high	93.3	Very high	106 Å²	106	89 Å²	89	56%	0.555	47%	0.473	S	S	*	.	H	α-helix	trans	-61.3	-46.2	172.4	-178.5	66.6	0	0	0	111.8	M670 T671 L672 A677 L678	M670-L674 WeakPolarHBondContact O-CB 3.26Å; M670-L674 PolarHBondContact O-N 2.93Å; T671-L674 PolarHBondContact O-N 3.31Å; L672-L674 VanDerWaalsContact C-N 3.35Å; L674-A677 PolarHBondContact O-N 3.42Å; L674-L678 HydrophobicContact CG-CD1 4.26Å; L674-L678 WeakPolarHBondContact O-CB 3.36Å; L674-L678 VanDerWaalsContact O-CG 3.28Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.44Å
675	L	94.7	Very high	92.2	Very high	110 Å²	110	90.1 Å²	90.1	58%	0.576	47%	0.472	S	S	*	.	H	α-helix	trans	-63.5	-43.3	178	-71.6	173.9	0	0	0	112	T671 L672 A677 L678 Y679	T671-L675 WeakPolarHBondContact O-CG 3.43Å; T671-L675 PolarHBondContact O-N 3.48Å; L672-L675 PolarHBondContact O-N 3.35Å; L675-A677 VanDerWaalsContact C-N 3.34Å; L675-L678 PolarHBondContact O-N 3.01Å; L675-Y679 WeakPolarHBondContact O-CB 3.31Å; L675-Y679 PolarHBondContact O-N 3.42Å
676	I	94.5	Very high	91.1	Very high	85 Å²	85	93 Å²	93	44%	0.436	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-44	175	-68.3	167.7	0	0	0	110.1	L672 T673 L678 Y679 I680	L672-I676 HydrophobicContact CD1-CD1 4.22Å; L672-I676 HydrophobicContact CG-CD1 3.95Å; L672-I676 VanDerWaalsContact O-CG1 3.27Å; L672-I676 WeakPolarHBondContact O-CG1 3.31Å; L672-I676 PolarHBondContact O-N 3.4Å; T673-I676 PolarHBondContact O-N 2.89Å; I676-L678 PolarHBondContact O-N 2.88Å; I676-Y679 PolarHBondContact O-N 3.43Å; I676-I680 HydrophobicContact CG2-CD1 3.69Å; I676-I680 HydrophobicContact CG2-CG1 4.3Å; I676-I680 WeakPolarHBondContact O-CB 3.27Å; I676-I680 VanDerWaalsContact O-CG1 3.26Å; I676-I680 WeakPolarHBondContact O-CG1 3.3Å; I676-I680 PolarHBondContact O-N 3.43Å
677	A	93.3	Very high	89.6	Confident	54 Å²	54	99.1 Å²	99.1	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-40.2	177.8	0	0	0	0	0	112.2	T673 L674 L675 I680 K681	T673-A677 VanDerWaalsContact O-CB 3.27Å; T673-A677 WeakPolarHBondContact O-CB 3.44Å; T673-A677 PolarHBondContact O-N 2.7Å; L674-A677 PolarHBondContact O-N 3.42Å; L675-A677 VanDerWaalsContact C-N 3.34Å; A677-I680 PolarHBondContact O-N 3.44Å; A677-K681 VanDerWaalsContact O-CB 3.31Å; A677-K681 WeakPolarHBondContact O-CB 3.48Å; A677-K681 PolarHBondContact O-N 2.9Å
678	L	93	Very high	87.9	Confident	91 Å²	91	99.5 Å²	99.5	48%	0.476	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-43.1	174.4	-71.7	174.1	0	0	0	111.7	L674 L675 I676 K681 E682	L674-L678 HydrophobicContact CG-CD1 4.26Å; L674-L678 WeakPolarHBondContact O-CB 3.36Å; L674-L678 VanDerWaalsContact O-CG 3.28Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.44Å; L675-L678 PolarHBondContact O-N 3.01Å; I676-L678 PolarHBondContact O-N 2.88Å; L678-K681 WeakPolarHBondContact O-CB 3.27Å; L678-K681 PolarHBondContact O-N 3.33Å; L678-E682 PolarHBondContact O-N 3.18Å
679	Y	92.2	Very high	85.9	Confident	158 Å²	158	99.8 Å²	99.8	62%	0.62	50%	0.504	S	S	*	.	H	α-helix	trans	-63	-46.5	175.8	179	-101.6	0	0	0	111.6	L675 I676 K681 E682 V683	L675-Y679 WeakPolarHBondContact O-CB 3.31Å; L675-Y679 PolarHBondContact O-N 3.42Å; I676-Y679 PolarHBondContact O-N 3.43Å; Y679-K681 VanDerWaalsContact C-N 3.31Å; Y679-K681 PolarHBondContact O-N 2.89Å; Y679-E682 PolarHBondContact O-N 2.84Å; Y679-V683 HydrophobicContact CD1-CG2 4.16Å; Y679-V683 HydrophobicContact CD2-CG2 4.42Å; Y679-V683 HydrophobicContact CE1-CG2 3.72Å; Y679-V683 HydrophobicContact CE2-CG2 4Å; Y679-V683 HydrophobicContact CG-CG2 4.49Å; Y679-V683 WeakPolarHBondContact O-CG2 3.49Å; Y679-V683 PolarHBondContact O-N 3.4Å
680	I	90	Very high	83.6	Confident	86 Å²	86	103.6 Å²	103.6	44%	0.441	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-43.9	175.5	-70.3	170.6	0	0	0	110.2	I676 A677 E682 V683 I684	I676-I680 HydrophobicContact CG2-CD1 3.69Å; I676-I680 HydrophobicContact CG2-CG1 4.3Å; I676-I680 WeakPolarHBondContact O-CB 3.27Å; I676-I680 VanDerWaalsContact O-CG1 3.26Å; I676-I680 WeakPolarHBondContact O-CG1 3.3Å; I676-I680 PolarHBondContact O-N 3.43Å; A677-I680 PolarHBondContact O-N 3.44Å; I680-E682 VanDerWaalsContact C-N 3.34Å; I680-E682 PolarHBondContact O-N 3.15Å; I680-V683 PolarHBondContact O-N 2.86Å; I680-I684 HydrophobicContact CG2-CD1 3.54Å; I680-I684 HydrophobicContact CG2-CG1 4.16Å; I680-I684 VanDerWaalsContact O-CB 3.31Å; I680-I684 WeakPolarHBondContact O-CB 3.21Å; I680-I684 WeakPolarHBondContact O-CG1 3.25Å; I680-I684 PolarHBondContact O-N 3.42Å
681	K	88.8	Confident	81.1	Confident	129 Å²	129	104.5 Å²	104.5	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-58.6	-44.1	175.7	-178.5	-177.6	177.8	-177.7	0	111.7	A677 L678 Y679 N685	A677-K681 VanDerWaalsContact O-CB 3.31Å; A677-K681 WeakPolarHBondContact O-CB 3.48Å; A677-K681 PolarHBondContact O-N 2.9Å; L678-K681 WeakPolarHBondContact O-CB 3.27Å; L678-K681 PolarHBondContact O-N 3.33Å; Y679-K681 VanDerWaalsContact C-N 3.31Å; Y679-K681 PolarHBondContact O-N 2.89Å; K681-N685 WeakPolarHBondContact O-CB 3.36Å; K681-N685 PolarHBondContact O-N 3.01Å
682	E	86.6	Confident	78.6	Confident	100 Å²	100	106.1 Å²	106.1	47%	0.467	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-42.9	178.7	-163.9	-176.4	158.2	0	0	112	L678 Y679 I680 N685 K686	L678-E682 PolarHBondContact O-N 3.18Å; Y679-E682 PolarHBondContact O-N 2.84Å; I680-E682 VanDerWaalsContact C-N 3.34Å; I680-E682 PolarHBondContact O-N 3.15Å; E682-N685 PolarHBondContact O-N 3.11Å; E682-K686 WeakPolarHBondContact O-CG 3.38Å; E682-K686 PolarHBondContact O-N 3.29Å; E682-K686 VanDerWaalsContact OE1-CE 3.27Å; E682-K686 WeakPolarHBondContact OE1-CE 3.4Å; E682-K686 IonicContact OE1-NZ 2.7Å; E682-K686 PolarHBondContact OE1-NZ 3.03Å
683	V	84.2	Confident	75.9	Confident	49 Å²	49	107.9 Å²	107.9	30%	0.297	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-41.8	177	172.8	0	0	0	0	111.3	Y679 I680 K686 K687	Y679-V683 HydrophobicContact CD1-CG2 4.16Å; Y679-V683 HydrophobicContact CD2-CG2 4.42Å; Y679-V683 HydrophobicContact CE1-CG2 3.72Å; Y679-V683 HydrophobicContact CE2-CG2 4Å; Y679-V683 HydrophobicContact CG-CG2 4.49Å; Y679-V683 WeakPolarHBondContact O-CG2 3.49Å; Y679-V683 PolarHBondContact O-N 3.4Å; I680-V683 PolarHBondContact O-N 2.86Å; V683-K686 PolarHBondContact O-N 3.38Å; V683-K687 HydrophobicContact CG1-CD 4.46Å; V683-K687 WeakPolarHBondContact O-CB 3.29Å; V683-K687 PolarHBondContact O-N 3.44Å
684	I	78.8	Confident	73.2	Confident	85 Å²	85	112.4 Å²	112.4	44%	0.436	58%	0.577	S	S	.	*	H	α-helix	trans	-63.6	-46.1	175	-71.8	176	0	0	0	110.1	I680 K686 K687 I688	I680-I684 HydrophobicContact CG2-CD1 3.54Å; I680-I684 HydrophobicContact CG2-CG1 4.16Å; I680-I684 VanDerWaalsContact O-CB 3.31Å; I680-I684 WeakPolarHBondContact O-CB 3.21Å; I680-I684 WeakPolarHBondContact O-CG1 3.25Å; I680-I684 PolarHBondContact O-N 3.42Å; I684-K686 PolarHBondContact O-N 3.33Å; I684-K687 PolarHBondContact O-N 2.93Å; I684-I688 HydrophobicContact CG2-CD1 3.6Å; I684-I688 HydrophobicContact CG2-CG1 4.2Å; I684-I688 VanDerWaalsContact O-CB 3.3Å; I684-I688 WeakPolarHBondContact O-CB 3.23Å; I684-I688 WeakPolarHBondContact O-CG1 3.18Å; I684-I688 PolarHBondContact O-N 3.33Å
685	N	74.6	Confident	70.6	Confident	78 Å²	78	116.2 Å²	116.2	42%	0.417	59%	0.594	S	S	.	*	H	α-helix	trans	-60.4	-43.3	176.1	-83.7	-5.6	0	0	0	111.9	K681 E682 I689	K681-N685 WeakPolarHBondContact O-CB 3.36Å; K681-N685 PolarHBondContact O-N 3.01Å; E682-N685 PolarHBondContact O-N 3.11Å; N685-I689 HydrophobicContact CB-CD1 4.03Å; N685-I689 WeakPolarHBondContact O-CB 3.42Å; N685-I689 VanDerWaalsContact O-CG1 3.23Å; N685-I689 WeakPolarHBondContact O-CG1 3.3Å; N685-I689 PolarHBondContact O-N 2.85Å
686	K	72.1	Confident	67.9	Low	135 Å²	135	119.6 Å²	119.6	59%	0.587	61%	0.607	S	S	*	*	H	α-helix	trans	-65.6	-38.3	177.2	-77.3	179.5	-176.3	164.6	0	112.9	E682 V683 I684	E682-K686 WeakPolarHBondContact O-CG 3.38Å; E682-K686 PolarHBondContact O-N 3.29Å; E682-K686 VanDerWaalsContact OE1-CE 3.27Å; E682-K686 WeakPolarHBondContact OE1-CE 3.4Å; E682-K686 IonicContact OE1-NZ 2.7Å; E682-K686 PolarHBondContact OE1-NZ 3.03Å; V683-K686 PolarHBondContact O-N 3.38Å; I684-K686 PolarHBondContact O-N 3.33Å
687	K	66.5	Low	65	Low	168 Å²	168	121.9 Å²	121.9	73%	0.73	63%	0.625	S	S	*	*	H	α-helix	trans	-83.6	-25.3	-178.5	-79.8	-169.8	173.4	-173.5	0	114.6	V683 I684	V683-K687 HydrophobicContact CG1-CD 4.46Å; V683-K687 WeakPolarHBondContact O-CB 3.29Å; V683-K687 PolarHBondContact O-N 3.44Å; I684-K687 PolarHBondContact O-N 2.93Å
688	I	61.7	Low	62.2	Low	103 Å²	103	126.2 Å²	126.2	53%	0.528	64%	0.64	S	S	.	*	H	α-helix	trans	-98.4	-25.8	-177.7	-61	-173.4	0	0	0	112.1	I684 Q690	I684-I688 HydrophobicContact CG2-CD1 3.6Å; I684-I688 HydrophobicContact CG2-CG1 4.2Å; I684-I688 VanDerWaalsContact O-CB 3.3Å; I684-I688 WeakPolarHBondContact O-CB 3.23Å; I684-I688 WeakPolarHBondContact O-CG1 3.18Å; I684-I688 PolarHBondContact O-N 3.33Å; I688-Q690 VanDerWaalsContact C-N 3.35Å
689	I	55.1	Low	59.6	Low	125 Å²	125	133.2 Å²	133.2	64%	0.641	66%	0.662	S	S	*	*	S	Bend	trans	-85.3	-5.4	178.6	-57.3	171.8	0	0	0	112.5	N685 I691	N685-I689 HydrophobicContact CB-CD1 4.03Å; N685-I689 WeakPolarHBondContact O-CB 3.42Å; N685-I689 VanDerWaalsContact O-CG1 3.23Å; N685-I689 WeakPolarHBondContact O-CG1 3.3Å; N685-I689 PolarHBondContact O-N 2.85Å; I689-I691 PolarHBondContact O-N 2.95Å
690	Q	47.8	Very low	57	Low	170 Å²	170	131.6 Å²	131.6	79%	0.794	67%	0.668	S	S	*	*			trans	-77.6	62.2	160.2	-75.9	-170.7	-26.5	0	0	111	I688	I688-Q690 VanDerWaalsContact C-N 3.35Å
691	I	44.5	Very low	54.7	Low	143 Å²	143	132.1 Å²	132.1	73%	0.733	68%	0.68	S	S	*	*			trans	-78.1	125.4	151.5	-61.7	173.5	0	0	0	104.7	I689 A693	I689-I691 PolarHBondContact O-N 2.95Å; I691-A693 PolarHBondContact O-N 3.24Å
692	P	43.4	Very low	52.2	Low	97 Å²	97	132.2 Å²	132.2	63%	0.63	69%	0.686	S	S	*	*			trans	-66.3	125.5	-164.3	26	-32.5	0	0	0	110.7	Q694	P692-Q694 HydrophobicContact CB-CB 4.35Å; P692-Q694 PolarHBondContact O-N 2.84Å
693	A	41.1	Very low	49.8	Very low	109 Å²	109	135.5 Å²	135.5	90%	0.901	71%	0.707	S	S	*	*			trans	-66.5	71.5	151.1	0	0	0	0	0	108.4	I691	I691-A693 PolarHBondContact O-N 3.24Å
694	Q	39.3	Very low	47.6	Very low	180 Å²	180	140.7 Å²	140.7	84%	0.841	73%	0.728	S	S	*	*			trans	-127.7	65.8	161.4	-78.2	-163.4	-32.9	0	0	106.8	P692	P692-Q694 HydrophobicContact CB-CB 4.35Å; P692-Q694 PolarHBondContact O-N 2.84Å
695	M	41.1	Very low	45.7	Very low	186 Å²	186	143.2 Å²	143.2	92%	0.916	74%	0.743	S	S	*	*	S	Bend	trans	-135	6.8	168.7	-135.7	178.5	-164.8	0	0	113.5
696	E	36.4	Very low	43.9	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	76%	0.758	S	S	*	*	S	Bend	trans	-143.2	102.4	172.3	-80.2	-179.2	149.8	0	0	108.5
697	T	33.7	Very low	42.6	Very low	133 Å²	133	147.7 Å²	147.7	82%	0.816	77%	0.771	S	S	*	*	S	Bend	trans	147.1	121.8	147.6	47.5	0	0	0	0	111.8
698	L	36.1	Very low	41.4	Very low	144 Å²	144	144 Å²	144	75%	0.754	77%	0.772	S	S	*	*			trans	71.2	81.4	166.6	-80	85.6	0	0	0	118.5
699	Y	38	Very low	40.7	Very low	239 Å²	239	144.8 Å²	144.8	94%	0.937	78%	0.784	S	S	*	*				-142.6	75.5	123.6	-98.7	-77.7	0	0	0	108
700	T	37.9	Very low	40.2	Very low	123 Å²	123	148.7 Å²	148.7	76%	0.755	81%	0.814	S	S	*	*			trans	-115	134	160.9	46.3	0	0	0	0	107.2
701	S	40	Very low	39.8	Very low	98 Å²	98	147.7 Å²	147.7	69%	0.685	82%	0.815	S	S	*	*			trans	78.3	124.2	176.2	124.7	0	0	0	0	113.9
702	D	37.9	Very low	39.6	Very low	130 Å²	130	147.9 Å²	147.9	70%	0.695	82%	0.819	S	S	*	*			cis	-152.4	131.1	10	-74.2	-53.6	0	0	0	110
703	N	35.5	Very low	39.3	Very low	170 Å²	170	150.7 Å²	150.7	91%	0.909	83%	0.83	S	S	*	*			trans	-156.6	94.3	135.1	-108.6	-7.8	0	0	0	107.9
704	E	38.8	Very low	39.2	Very low	158 Å²	158	153.2 Å²	153.2	74%	0.738	83%	0.825	S	S	*	*			trans	-57.8	153	160.5	-70.8	-179.7	135.5	0	0	111.1
705	N	37.3	Very low	39.2	Very low	138 Å²	138	151.5 Å²	151.5	74%	0.738	82%	0.824	S	S	*	*			trans	81	92	158.2	-56	-34.4	0	0	0	117.9
706	C	38.4	Very low	39.1	Very low	110 Å²	110	149.2 Å²	149.2	74%	0.743	82%	0.818	S	S	*	*				-176.6	119.6	103.4	-99.2	0	0	0	0	113.5
707	F	43.4	Very low	39.3	Very low	197 Å²	197	146.9 Å²	146.9	86%	0.864	82%	0.816	S	S	*	*			trans	76.5	111.1	151.5	-72.7	-84.9	0	0	0	121.8
708	A	41.9	Very low	39.7	Very low	90 Å²	90	148 Å²	148	74%	0.744	82%	0.816	S	S	*	*			trans	-78.4	174.8	163.5	0	0	0	0	0	112.6
709	P	48.1	Very low	40	Very low	120 Å²	120	148.3 Å²	148.3	78%	0.779	82%	0.821	S	S	*	*				-131.8	156.3	121.1	36.3	-25.5	0	0	0	113.6
710	T	43.4	Very low	40.2	Very low	207 Å²	207	140.1 Å²	140.1	100%	1.27	81%	0.811	S	S	*	*			trans	-38.6	0	161.3	47.5	0	0	0	0	115.6

Retrieved 710 of 710 residues in 409.3 ms (Link to these results)

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