A0A077ZF31_TRITR Loading...

Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077ZF31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 464 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56	Low	77.3	Confident	239 Å²	239	127.4 Å²	127.4	100%	1.177	63%	0.634	S	S	*	*				0	112	0	-85.1	175.6	154.9	0	0	108.9	T3	M1-T3 PolarHBondContact O-N 2.71Å
2	F	64.6	Low	77.7	Confident	154 Å²	154	128.5 Å²	128.5	68%	0.675	63%	0.633	S	S	*	*			trans	-71.2	127.6	171.8	-69.5	-74.9	0	0	0	109	F6	F2-F6 HydrophobicContact CB-CB 4.49Å; F2-F6 HydrophobicContact CB-CD1 3.92Å; F2-F6 AromaticContact CD1-CD1 3.3Å; F2-F6 HydrophobicContact CD1-CD1 3.3Å; F2-F6 AromaticContact CD1-CE1 3.41Å; F2-F6 HydrophobicContact CD1-CE1 3.41Å; F2-F6 VanDerWaalsContact CD1-CE1 3.41Å; F2-F6 AromaticContact CD1-CG 3.94Å; F2-F6 HydrophobicContact CD1-CG 3.94Å; F2-F6 HydrophobicContact CD1-CZ 4.15Å; F2-F6 HydrophobicContact CE1-CD1 4.03Å; F2-F6 AromaticContact CE1-CE1 3.63Å; F2-F6 HydrophobicContact CE1-CE1 3.63Å; F2-F6 HydrophobicContact CE1-CZ 4.06Å; F2-F6 AromaticContact CG-CD1 3.81Å; F2-F6 HydrophobicContact CG-CD1 3.81Å; F2-F6 HydrophobicContact CG-CE1 4.12Å; F2-F6 HydrophobicContact CZ-CE1 4.48Å
3	T	73.3	Confident	78.4	Confident	95 Å²	95	125.1 Å²	125.1	58%	0.583	62%	0.623	S	S	*	*			trans	-66.1	150.8	179.7	58.3	0	0	0	0	110.4	M1 R5 F6 I7	M1-T3 PolarHBondContact O-N 2.71Å; T3-R5 PolarHBondContact O-N 3.32Å; T3-F6 WeakPolarHBondContact O-CA 3.09Å; T3-F6 WeakPolarHBondContact O-CB 3.39Å; T3-F6 PolarHBondContact O-N 3.13Å; T3-I7 PolarHBondContact O-N 3.41Å
4	S	77.8	Confident	78.9	Confident	97 Å²	97	121.7 Å²	121.7	68%	0.678	61%	0.612	S	S	*	*	H	α-helix	trans	-50.7	-34.2	176.1	175.7	0	0	0	0	112.5	F6 I7 L8	S4-F6 PolarHBondContact O-N 2.98Å; S4-I7 PolarHBondContact O-N 3.12Å; S4-L8 PolarHBondContact O-N 2.94Å
5	R	78.2	Confident	79.2	Confident	210 Å²	210	124 Å²	124	79%	0.792	62%	0.617	S	S	*	*	H	α-helix	trans	-64	-35.8	173.9	-76.7	-173.4	176.2	-161.9	-0.5	113.8	T3 K9	T3-R5 PolarHBondContact O-N 3.32Å; R5-K9 WeakPolarHBondContact O-CG 3.07Å; R5-K9 PolarHBondContact O-N 3.28Å
6	F	84.8	Confident	79.5	Confident	97 Å²	97	122.2 Å²	122.2	43%	0.425	62%	0.615	S	S	.	*	H	α-helix	trans	-69.4	-44.6	176.8	-174.9	-97.1	0	0	0	111	F2 T3 S4 L8 K9 V10	F2-F6 HydrophobicContact CB-CB 4.49Å; F2-F6 HydrophobicContact CB-CD1 3.92Å; F2-F6 AromaticContact CD1-CD1 3.3Å; F2-F6 HydrophobicContact CD1-CD1 3.3Å; F2-F6 AromaticContact CD1-CE1 3.41Å; F2-F6 HydrophobicContact CD1-CE1 3.41Å; F2-F6 VanDerWaalsContact CD1-CE1 3.41Å; F2-F6 AromaticContact CD1-CG 3.94Å; F2-F6 HydrophobicContact CD1-CG 3.94Å; F2-F6 HydrophobicContact CD1-CZ 4.15Å; F2-F6 HydrophobicContact CE1-CD1 4.03Å; F2-F6 AromaticContact CE1-CE1 3.63Å; F2-F6 HydrophobicContact CE1-CE1 3.63Å; F2-F6 HydrophobicContact CE1-CZ 4.06Å; F2-F6 AromaticContact CG-CD1 3.81Å; F2-F6 HydrophobicContact CG-CD1 3.81Å; F2-F6 HydrophobicContact CG-CE1 4.12Å; F2-F6 HydrophobicContact CZ-CE1 4.48Å; T3-F6 WeakPolarHBondContact O-CA 3.09Å; T3-F6 WeakPolarHBondContact O-CB 3.39Å; T3-F6 PolarHBondContact O-N 3.13Å; S4-F6 PolarHBondContact O-N 2.98Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.94Å; F6-K9 PolarHBondContact O-N 3.18Å; F6-V10 HydrophobicContact CD1-CG2 4.11Å; F6-V10 HydrophobicContact CE1-CG2 3.77Å; F6-V10 HydrophobicContact CZ-CG2 4.05Å; F6-V10 WeakPolarHBondContact O-CG2 3.26Å; F6-V10 PolarHBondContact O-N 3.26Å
7	I	82.6	Confident	79.5	Confident	96 Å²	96	121.9 Å²	121.9	49%	0.492	62%	0.615	S	S	.	*	H	α-helix	trans	-58.7	-45.2	176.6	-61.4	174.6	0	0	0	110.4	T3 S4 K9 V10 V11	T3-I7 PolarHBondContact O-N 3.41Å; S4-I7 PolarHBondContact O-N 3.12Å; I7-K9 VanDerWaalsContact C-N 3.32Å; I7-K9 PolarHBondContact O-N 3.47Å; I7-V10 PolarHBondContact O-N 3.02Å; I7-V11 HydrophobicContact CG2-CG2 4.37Å; I7-V11 WeakPolarHBondContact O-CG2 3.45Å; I7-V11 PolarHBondContact O-N 2.87Å
8	L	81.3	Confident	79.5	Confident	106 Å²	106	119.1 Å²	119.1	56%	0.555	61%	0.608	S	S	*	*	H	α-helix	trans	-63.2	-36.5	179.3	-138.3	84.8	0	0	0	112.9	S4 F6 K12	S4-L8 PolarHBondContact O-N 2.94Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.94Å; L8-K12 WeakPolarHBondContact O-CG 3.34Å; L8-K12 PolarHBondContact O-N 3.39Å; L8-K12 VanDerWaalsContact O-N 3.1Å
9	K	82.4	Confident	79.3	Confident	152 Å²	152	115.6 Å²	115.6	66%	0.661	60%	0.598	S	S	*	*	H	α-helix	trans	-66.7	-44.6	175.4	-78.4	-177	177.3	-174.6	0	111.4	R5 F6 I7 K12 V13	R5-K9 WeakPolarHBondContact O-CG 3.07Å; R5-K9 PolarHBondContact O-N 3.28Å; F6-K9 PolarHBondContact O-N 3.18Å; I7-K9 VanDerWaalsContact C-N 3.32Å; I7-K9 PolarHBondContact O-N 3.47Å; K9-K12 PolarHBondContact O-N 2.85Å; K9-V13 WeakPolarHBondContact O-CG2 3.32Å; K9-V13 PolarHBondContact O-N 3.16Å
10	V	84.4	Confident	79.1	Confident	67 Å²	67	112.2 Å²	112.2	41%	0.406	59%	0.588	S	S	.	*	H	α-helix	trans	-62.6	-45.7	177.7	175.1	0	0	0	0	110.9	F6 I7 K12 V13 V14	F6-V10 HydrophobicContact CD1-CG2 4.11Å; F6-V10 HydrophobicContact CE1-CG2 3.77Å; F6-V10 HydrophobicContact CZ-CG2 4.05Å; F6-V10 WeakPolarHBondContact O-CG2 3.26Å; F6-V10 PolarHBondContact O-N 3.26Å; I7-V10 PolarHBondContact O-N 3.02Å; V10-K12 VanDerWaalsContact C-N 3.33Å; V10-K12 PolarHBondContact O-N 2.61Å; V10-V13 PolarHBondContact O-N 2.91Å; V10-V14 HydrophobicContact CG1-CG2 4.3Å; V10-V14 WeakPolarHBondContact O-CG2 3.26Å; V10-V14 PolarHBondContact O-N 3.2Å
11	V	84.9	Confident	78.4	Confident	88 Å²	88	108.4 Å²	108.4	53%	0.533	58%	0.577	S	S	.	*	H	α-helix	trans	-59.4	-43.1	177.2	172.5	0	0	0	0	111.4	I7 V14 F15	I7-V11 HydrophobicContact CG2-CG2 4.37Å; I7-V11 WeakPolarHBondContact O-CG2 3.45Å; I7-V11 PolarHBondContact O-N 2.87Å; V11-V14 PolarHBondContact O-N 3.11Å; V11-F15 WeakPolarHBondContact O-CB 3.34Å; V11-F15 PolarHBondContact O-N 3.35Å
12	K	82	Confident	79	Confident	141 Å²	141	102 Å²	102	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-63.2	-42.8	176.7	-80.2	-175.1	175	-174.3	0	112.6	L8 K9 V10 F15 T16	L8-K12 WeakPolarHBondContact O-CG 3.34Å; L8-K12 PolarHBondContact O-N 3.39Å; L8-K12 VanDerWaalsContact O-N 3.1Å; K9-K12 PolarHBondContact O-N 2.85Å; V10-K12 VanDerWaalsContact C-N 3.33Å; V10-K12 PolarHBondContact O-N 2.61Å; K12-F15 PolarHBondContact O-N 3.26Å; K12-T16 WeakPolarHBondContact O-CB 3.42Å; K12-T16 PolarHBondContact O-N 3.25Å; K12-T16 PolarHBondContact O-OG1 3.32Å
13	V	86.4	Confident	78.7	Confident	84 Å²	84	99.9 Å²	99.9	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-46.4	178.8	172.1	0	0	0	0	110.7	K9 V10 F15 T16 L17	K9-V13 WeakPolarHBondContact O-CG2 3.32Å; K9-V13 PolarHBondContact O-N 3.16Å; V10-V13 PolarHBondContact O-N 2.91Å; V13-F15 PolarHBondContact O-N 3.4Å; V13-T16 PolarHBondContact O-N 2.98Å; V13-L17 HydrophobicContact CG1-CD1 3.9Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.32Å
14	V	85.3	Confident	77.7	Confident	78 Å²	78	101 Å²	101	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-60.6	-45.5	177.7	174	0	0	0	0	111	V10 V11 T16 L17 C18	V10-V14 HydrophobicContact CG1-CG2 4.3Å; V10-V14 WeakPolarHBondContact O-CG2 3.26Å; V10-V14 PolarHBondContact O-N 3.2Å; V11-V14 PolarHBondContact O-N 3.11Å; V14-T16 VanDerWaalsContact C-N 3.32Å; V14-T16 PolarHBondContact O-N 3Å; V14-L17 PolarHBondContact O-N 3.47Å; V14-C18 WeakPolarHBondContact O-CB 3.37Å; V14-C18 PolarHBondContact O-N 3.41Å; V14-C18 PolarHBondContact O-SG 2.86Å; V14-C18 VanDerWaalsContact O-SG 3.35Å
15	F	83.8	Confident	76.7	Confident	156 Å²	156	100.8 Å²	100.8	68%	0.684	54%	0.537	S	S	*	.	H	α-helix	trans	-63.5	-39	179.3	-155.5	-88.7	0	0	0	112.2	V11 K12 V13 C18 A19	V11-F15 WeakPolarHBondContact O-CB 3.34Å; V11-F15 PolarHBondContact O-N 3.35Å; K12-F15 PolarHBondContact O-N 3.26Å; V13-F15 PolarHBondContact O-N 3.4Å; F15-C18 PolarHBondContact O-N 3.3Å; F15-A19 WeakPolarHBondContact O-CB 3.42Å; F15-A19 PolarHBondContact O-N 3.19Å
16	T	83.6	Confident	75.3	Confident	95 Å²	95	97.7 Å²	97.7	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-67.2	-42.3	178.1	-51.2	0	0	0	0	111.3	K12 V13 V14 A19 A20	K12-T16 WeakPolarHBondContact O-CB 3.42Å; K12-T16 PolarHBondContact O-N 3.25Å; K12-T16 PolarHBondContact O-OG1 3.32Å; V13-T16 PolarHBondContact O-N 2.98Å; V14-T16 VanDerWaalsContact C-N 3.32Å; V14-T16 PolarHBondContact O-N 3Å; T16-A19 PolarHBondContact O-N 3.13Å; T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 3.07Å
17	L	80.4	Confident	73.7	Confident	117 Å²	117	97.7 Å²	97.7	61%	0.613	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-41	176	-70.8	171.8	0	0	0	112.1	V13 V14 A20 G21	V13-L17 HydrophobicContact CG1-CD1 3.9Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.32Å; V14-L17 PolarHBondContact O-N 3.47Å; L17-A20 PolarHBondContact O-N 2.83Å; L17-G21 PolarHBondContact O-N 3.45Å
18	C	79.4	Confident	71.7	Confident	72 Å²	72	100.3 Å²	100.3	49%	0.486	54%	0.543	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174.1	-72.1	0	0	0	0	112	V14 F15 G21 I22	V14-C18 WeakPolarHBondContact O-CB 3.37Å; V14-C18 PolarHBondContact O-N 3.41Å; V14-C18 PolarHBondContact O-SG 2.86Å; V14-C18 VanDerWaalsContact O-SG 3.35Å; F15-C18 PolarHBondContact O-N 3.3Å; C18-G21 PolarHBondContact O-N 3Å; C18-I22 VanDerWaalsContact O-CG1 3.3Å; C18-I22 WeakPolarHBondContact O-CG1 3.49Å; C18-I22 PolarHBondContact O-N 3.32Å
19	A	76.1	Confident	69.7	Low	52 Å²	52	105.7 Å²	105.7	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-42.2	177	0	0	0	0	0	111.9	F15 T16 I22 L23	F15-A19 WeakPolarHBondContact O-CB 3.42Å; F15-A19 PolarHBondContact O-N 3.19Å; T16-A19 PolarHBondContact O-N 3.13Å; A19-I22 PolarHBondContact O-N 3.13Å; A19-L23 PolarHBondContact O-N 3.15Å
20	A	73.7	Confident	67.5	Low	48 Å²	48	103 Å²	103	40%	0.397	56%	0.556	S	S	.	*	H	α-helix	trans	-63.3	-42.4	175.1	0	0	0	0	0	112	T16 L17 L23 L24	T16-A20 WeakPolarHBondContact O-CB 3.31Å; T16-A20 PolarHBondContact O-N 3.07Å; L17-A20 PolarHBondContact O-N 2.83Å; A20-L23 PolarHBondContact O-N 3.05Å; A20-L24 WeakPolarHBondContact O-CG 3.41Å; A20-L24 PolarHBondContact O-N 3.07Å
21	G	66	Low	64.8	Low	33 Å²	33	106.8 Å²	106.8	34%	0.34	57%	0.569	S	S	.	*	H	α-helix	trans	-61.7	-43.1	175.5	0	0	0	0	0	113.1	L17 C18 L23 L24 V25	L17-G21 PolarHBondContact O-N 3.45Å; C18-G21 PolarHBondContact O-N 3Å; G21-L23 VanDerWaalsContact C-N 3.3Å; G21-L23 PolarHBondContact O-N 3.21Å; G21-L24 PolarHBondContact O-N 3.24Å; G21-V25 WeakPolarHBondContact O-CG2 3.22Å; G21-V25 PolarHBondContact O-N 3.22Å
22	I	67.6	Low	62.3	Low	105 Å²	105	112.2 Å²	112.2	54%	0.538	59%	0.586	S	S	.	*	H	α-helix	trans	-64.3	-37.1	176.1	-67.8	166.1	0	0	0	111.2	C18 A19 K26	C18-I22 VanDerWaalsContact O-CG1 3.3Å; C18-I22 WeakPolarHBondContact O-CG1 3.49Å; C18-I22 PolarHBondContact O-N 3.32Å; A19-I22 PolarHBondContact O-N 3.13Å; I22-K26 PolarHBondContact O-N 3Å; I22-K26 VanDerWaalsContact O-N 3.1Å
23	L	59.3	Low	59.7	Low	109 Å²	109	111 Å²	111	57%	0.571	59%	0.592	S	S	*	*	H	α-helix	trans	-67.5	-43.2	177.9	-160.6	76.7	0	0	0	111.3	A19 A20 G21 V25 K26 I27	A19-L23 PolarHBondContact O-N 3.15Å; A20-L23 PolarHBondContact O-N 3.05Å; G21-L23 VanDerWaalsContact C-N 3.3Å; G21-L23 PolarHBondContact O-N 3.21Å; L23-V25 PolarHBondContact O-N 2.79Å; L23-K26 PolarHBondContact O-N 2.89Å; L23-K26 VanDerWaalsContact O-N 3.17Å; L23-I27 HydrophobicContact CG-CD1 4.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.49Å; L23-I27 PolarHBondContact O-N 2.52Å
24	L	52.7	Low	56.8	Low	119 Å²	119	111.8 Å²	111.8	62%	0.623	61%	0.607	S	S	*	*	H	α-helix	trans	-62.2	-42.7	176.3	-74.6	167.7	0	0	0	112	A20 G21 K26 I27 H28	A20-L24 WeakPolarHBondContact O-CG 3.41Å; A20-L24 PolarHBondContact O-N 3.07Å; G21-L24 PolarHBondContact O-N 3.24Å; L24-K26 VanDerWaalsContact C-N 3.28Å; L24-K26 PolarHBondContact O-N 3.4Å; L24-I27 PolarHBondContact O-N 3.28Å; L24-H28 PolarHBondContact O-N 3.47Å
25	V	56.8	Low	53.9	Low	91 Å²	91	116.2 Å²	116.2	55%	0.552	63%	0.628	S	S	*	*	H	α-helix	trans	-63.3	-34.4	175.4	173.3	0	0	0	0	111.7	G21 L23 R29	G21-V25 WeakPolarHBondContact O-CG2 3.22Å; G21-V25 PolarHBondContact O-N 3.22Å; L23-V25 PolarHBondContact O-N 2.79Å; V25-R29 PolarHBondContact O-N 2.86Å
26	K	48.9	Very low	51	Low	145 Å²	145	114 Å²	114	63%	0.63	63%	0.632	S	S	*	*	H	α-helix	trans	-71.8	-40.3	175.9	-82.9	-176.1	174.7	180	0	112.8	I22 L23 L24 H28 R29 S30	I22-K26 PolarHBondContact O-N 3Å; I22-K26 VanDerWaalsContact O-N 3.1Å; L23-K26 PolarHBondContact O-N 2.89Å; L23-K26 VanDerWaalsContact O-N 3.17Å; L24-K26 VanDerWaalsContact C-N 3.28Å; L24-K26 PolarHBondContact O-N 3.4Å; K26-H28 VanDerWaalsContact C-N 3.32Å; K26-R29 PolarHBondContact O-N 3.39Å; K26-S30 PolarHBondContact O-N 3.39Å; K26-S30 PolarHBondContact O-OG 3.44Å
27	I	50.6	Low	48.2	Very low	97 Å²	97	115 Å²	115	50%	0.497	64%	0.642	S	S	.	*	H	α-helix	trans	-64.8	-39.5	176.8	-67.3	166.9	0	0	0	110.2	L23 L24 R29 S30	L23-I27 HydrophobicContact CG-CD1 4.24Å; L23-I27 WeakPolarHBondContact O-CG1 3.49Å; L23-I27 PolarHBondContact O-N 2.52Å; L24-I27 PolarHBondContact O-N 3.28Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 3.06Å; I27-S30 PolarHBondContact O-N 3.47Å; I27-S30 PolarHBondContact O-OG 2.74Å
28	H	39.3	Very low	45.4	Very low	152 Å²	152	114.6 Å²	114.6	70%	0.704	65%	0.65	S	S	*	*	H	α-helix	trans	-72.1	-21.9	179.5	-140.2	-58.9	0	0	0	113.8	L24 K26	L24-H28 PolarHBondContact O-N 3.47Å; K26-H28 VanDerWaalsContact C-N 3.32Å
29	R	39.3	Very low	42.8	Very low	219 Å²	219	119.5 Å²	119.5	83%	0.826	67%	0.67	S	S	*	*	H	α-helix	trans	-83.5	-13.8	175.2	-86.4	-173.6	166.8	-175.1	-2.4	114.4	V25 K26 I27	V25-R29 PolarHBondContact O-N 2.86Å; K26-R29 PolarHBondContact O-N 3.39Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 3.06Å
30	S	36.4	Very low	40.3	Very low	94 Å²	94	121.7 Å²	121.7	66%	0.657	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	1.2	180	40	0	0	0	0	115.2	K26 I27	K26-S30 PolarHBondContact O-N 3.39Å; K26-S30 PolarHBondContact O-OG 3.44Å; I27-S30 PolarHBondContact O-N 3.47Å; I27-S30 PolarHBondContact O-OG 2.74Å
31	Q	28.5	Very low	37.9	Very low	148 Å²	148	124.6 Å²	124.6	69%	0.692	70%	0.7	S	S	*	*			trans	-109.3	76.6	176.5	-68.7	-174.3	-6.4	0	0	111.4
32	F	31.6	Very low	36	Very low	202 Å²	202	131.7 Å²	131.7	89%	0.886	73%	0.729	S	S	*	*			trans	-151	138	151.9	-93.5	-76.2	0	0	0	109.7
33	P	27.3	Very low	34	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	75%	0.745	S	S	*	*			trans	-89.6	159	-157	16.5	-1.2	0	0	0	114.4
34	A	26.1	Very low	32.7	Very low	101 Å²	101	136.4 Å²	136.4	84%	0.835	76%	0.756	S	S	*	*			trans	-60.4	125.4	178.2	0	0	0	0	0	112.5
35	L	25.4	Very low	31.5	Very low	171 Å²	171	134.4 Å²	134.4	90%	0.895	76%	0.764	S	S	*	*			trans	-88.5	114.1	158.4	-109.4	97.7	0	0	0	109
36	S	21.8	Very low	30	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	78%	0.781	S	S	*	*			trans	-66.5	133.7	158.5	53.3	0	0	0	0	110.4
37	S	25.5	Very low	29	Very low	114 Å²	114	133.8 Å²	133.8	80%	0.797	79%	0.789	S	S	*	*			trans	-152.4	126.5	141	48.4	0	0	0	0	109.9
38	S	20.6	Very low	27.7	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	81%	0.809	S	S	*	*			trans	-63.6	137.6	165.9	45.9	0	0	0	0	111
39	L	26.4	Very low	27	Very low	174 Å²	174	129.3 Å²	129.3	91%	0.911	80%	0.797	S	S	*	*			trans	-141.2	129	146.2	-143.2	78.5	0	0	0	110.4
40	S	22.2	Very low	26.3	Very low	99 Å²	99	125 Å²	125	69%	0.692	79%	0.79	S	S	*	*			trans	-84.9	162	-177	27.1	0	0	0	0	112.8
41	S	24.3	Very low	25.7	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	79%	0.789	S	S	*	*			trans	62.2	104	152.6	62.7	0	0	0	0	119.3
42	L	25.8	Very low	25.5	Very low	182 Å²	182	123.6 Å²	123.6	95%	0.953	79%	0.785	S	S	*	*			trans	-143.7	117.7	137.9	-97.4	154.7	0	0	0	107.6
43	E	26	Very low	25.3	Very low	189 Å²	189	122.3 Å²	122.3	88%	0.883	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.6	159	175.3	-86.1	-171.1	153.1	0	0	112.4
44	P	32.2	Very low	25.3	Very low	123 Å²	123	122.2 Å²	122.2	80%	0.799	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-100.3	136.3	-159.1	28.4	-14.7	0	0	0	114.1
45	G	26.9	Very low	25.3	Very low	77 Å²	77	120.7 Å²	120.7	79%	0.794	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-70.7	127.1	165.7	0	0	0	0	0	111.5	S47	G45-S47 PolarHBondContact O-N 3.12Å
46	A	24.3	Very low	25.4	Very low	110 Å²	110	119.7 Å²	119.7	91%	0.909	75%	0.753	S	S	*	*			trans	-58.4	115.2	-179.5	0	0	0	0	0	112.8
47	S	27.9	Very low	25.6	Very low	114 Å²	114	122.7 Å²	122.7	80%	0.797	75%	0.753	S	S	*	*			trans	-119.9	111.6	154.3	176.2	0	0	0	0	107.1	G45 G49	G45-S47 PolarHBondContact O-N 3.12Å; S47-G49 VanDerWaalsContact C-N 3.3Å; S47-G49 PolarHBondContact O-N 3.3Å
48	A	24.5	Very low	25.7	Very low	110 Å²	110	124.3 Å²	124.3	91%	0.909	75%	0.748	S	S	*	*			trans	-74.3	79	-177.7	0	0	0	0	0	110.6
49	G	24	Very low	26	Very low	44 Å²	44	125.1 Å²	125.1	45%	0.454	74%	0.742	S	S	.	*			trans	-87.4	140.6	161.9	0	0	0	0	0	110.3	S47 Q51	S47-G49 VanDerWaalsContact C-N 3.3Å; S47-G49 PolarHBondContact O-N 3.3Å; G49-Q51 PolarHBondContact O-N 3.23Å
50	L	24.3	Very low	26.2	Very low	130 Å²	130	120.7 Å²	120.7	68%	0.681	72%	0.723	S	S	*	*			trans	-55.8	110.2	170.5	-100.2	85	0	0	0	109.2
51	Q	24.2	Very low	26.4	Very low	138 Å²	138	121.3 Å²	121.3	65%	0.645	72%	0.722	S	S	*	*			trans	-89.1	107.6	175.7	-71.9	179.7	-11.5	0	0	109.5	G49 Y53	G49-Q51 PolarHBondContact O-N 3.23Å; Q51-Y53 HydrophobicContact CB-CD2 4.45Å; Q51-Y53 HydrophobicContact CB-CE2 3.99Å; Q51-Y53 PolarHBondContact O-N 3.35Å; Q51-Y53 PolarHBondContact OE1-OH 3Å
52	A	24.2	Very low	26.8	Very low	73 Å²	73	122.4 Å²	122.4	60%	0.603	72%	0.719	S	S	*	*			trans	-81.6	108.4	167.1	0	0	0	0	0	108.9
53	Y	27.6	Very low	27.2	Very low	175 Å²	175	121.3 Å²	121.3	69%	0.686	71%	0.714	S	S	*	*			trans	-88.3	126.9	170.3	-68.5	-83.6	0	0	0	109.5	Q51 S55	Q51-Y53 HydrophobicContact CB-CD2 4.45Å; Q51-Y53 HydrophobicContact CB-CE2 3.99Å; Q51-Y53 PolarHBondContact O-N 3.35Å; Q51-Y53 PolarHBondContact OE1-OH 3Å; Y53-S55 PolarHBondContact O-N 2.72Å; Y53-S55 VanDerWaalsContact O-N 3.16Å
54	P	26.2	Very low	27.4	Very low	113 Å²	113	116.1 Å²	116.1	73%	0.734	71%	0.712	S	S	*	*			trans	-70.3	108.8	162.7	26.7	-28.4	0	0	0	108.1
55	S	26.9	Very low	27.3	Very low	68 Å²	68	114.5 Å²	114.5	48%	0.476	70%	0.695	S	S	.	*			trans	-62.5	135.6	165.1	46.2	0	0	0	0	109	Y53 F57	Y53-S55 PolarHBondContact O-N 2.72Å; Y53-S55 VanDerWaalsContact O-N 3.16Å; S55-F57 PolarHBondContact O-N 2.93Å
56	L	27.2	Very low	27.4	Very low	150 Å²	150	112.2 Å²	112.2	79%	0.785	67%	0.672	S	S	*	*			trans	-29.5	123.5	178	-150.1	78.4	0	0	0	112.8	Q58	L56-Q58 PolarHBondContact O-N 3.43Å
57	F	25.8	Very low	27.5	Very low	175 Å²	175	108.6 Å²	108.6	77%	0.768	64%	0.638	S	S	*	*			trans	-54.7	99.4	171.9	-93.9	-95.9	0	0	0	109.8	S55 L59	S55-F57 PolarHBondContact O-N 2.93Å; F57-L59 HydrophobicContact CD1-CD1 4.36Å
58	Q	28.1	Very low	27.7	Very low	148 Å²	148	104.8 Å²	104.8	69%	0.692	61%	0.614	S	S	*	*			trans	-109.4	95.6	162.5	-82.6	-176.5	-30.1	0	0	107.6	L56 T60	L56-Q58 PolarHBondContact O-N 3.43Å; Q58-T60 PolarHBondContact O-N 3.15Å
59	L	27.2	Very low	27.8	Very low	126 Å²	126	104 Å²	104	66%	0.66	59%	0.594	S	S	*	*			trans	-63.6	113.3	159.8	-93.2	94.6	0	0	0	106.7	F57	F57-L59 HydrophobicContact CD1-CD1 4.36Å
60	T	30.4	Very low	28.1	Very low	81 Å²	81	107.4 Å²	107.4	50%	0.497	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	127.6	162.2	45	0	0	0	0	107.2	Q58	Q58-T60 PolarHBondContact O-N 3.15Å
61	T	26.6	Very low	28.3	Very low	112 Å²	112	104.8 Å²	104.8	69%	0.687	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.7	116.6	-179.5	51.1	0	0	0	0	108.7
62	L	32	Very low	28.5	Very low	133 Å²	133	104.3 Å²	104.3	70%	0.696	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.6	120.9	163.3	-105.4	146.4	0	0	0	106.5	G64 I65	L62-G64 VanDerWaalsContact C-N 3.34Å; L62-G64 PolarHBondContact O-N 3.19Å; L62-I65 PolarHBondContact O-N 3.15Å
63	D	34.9	Very low	28.6	Very low	159 Å²	159	108 Å²	108	85%	0.85	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.8	47.8	-177.4	-62.7	-23.3	0	0	0	115.5	I65	D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.86Å
64	G	29.9	Very low	28.6	Very low	80 Å²	80	103.4 Å²	103.4	83%	0.825	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.4	2.7	170.6	0	0	0	0	0	115.7	L62	L62-G64 VanDerWaalsContact C-N 3.34Å; L62-G64 PolarHBondContact O-N 3.19Å
65	I	30	Very low	28.9	Very low	89 Å²	89	103.2 Å²	103.2	46%	0.456	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104	122.9	179.3	-57.5	173.2	0	0	0	109.3	L62 D63 V67	L62-I65 PolarHBondContact O-N 3.15Å; D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.86Å; I65-V67 HydrophobicContact CG2-CG2 4.47Å; I65-V67 PolarHBondContact O-N 3.27Å
66	G	28.2	Very low	28.9	Very low	29 Å²	29	110.3 Å²	110.3	30%	0.299	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79	109.1	173.8	0	0	0	0	0	110.9
67	V	28.2	Very low	29.1	Very low	34 Å²	34	112 Å²	112	21%	0.206	62%	0.616	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	127.2	-179.7	-173.8	0	0	0	0	110	I65	I65-V67 HydrophobicContact CG2-CG2 4.47Å; I65-V67 PolarHBondContact O-N 3.27Å
68	A	31.2	Very low	29.3	Very low	34 Å²	34	108.2 Å²	108.2	28%	0.281	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-103.1	116.1	172.9	0	0	0	0	0	110.2	F70	A68-F70 HydrophobicContact CB-CE2 3.89Å; A68-F70 HydrophobicContact CB-CZ 4.45Å
69	N	27.3	Very low	29.3	Very low	93 Å²	93	111.5 Å²	111.5	50%	0.497	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-91.8	123.8	178.6	-76.6	-35.1	0	0	0	111.2
70	F	30.6	Very low	29.6	Very low	115 Å²	115	110.6 Å²	110.6	50%	0.504	64%	0.635	S	S	.	*			trans	-113.8	125.9	172.1	-64.1	-86.5	0	0	0	109.6	A68	A68-F70 HydrophobicContact CB-CE2 3.89Å; A68-F70 HydrophobicContact CB-CZ 4.45Å
71	S	27.4	Very low	29.5	Very low	75 Å²	75	115.6 Å²	115.6	52%	0.524	65%	0.649	S	S	.	*			trans	-113.7	119.9	175.3	-52.8	0	0	0	0	109.4
72	L	28.2	Very low	29.6	Very low	128 Å²	128	118.6 Å²	118.6	67%	0.67	65%	0.653	S	S	*	*			trans	-98.7	118.2	174.1	-87.9	150.8	0	0	0	109.6
73	L	26.2	Very low	29.2	Very low	151 Å²	151	118 Å²	118	79%	0.791	65%	0.651	S	S	*	*			trans	-93.9	101.3	171.5	-85.3	158.4	0	0	0	109.4
74	A	28.3	Very low	28.8	Very low	79 Å²	79	115.1 Å²	115.1	65%	0.653	64%	0.635	S	S	*	*			trans	-82.1	111.4	166.6	0	0	0	0	0	109	R76	A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.33Å
75	S	31.9	Very low	28.6	Very low	108 Å²	108	115.4 Å²	115.4	76%	0.755	62%	0.621	S	S	*	*			trans	-85.5	17.6	-175.1	55.6	0	0	0	0	115.1
76	R	28.2	Very low	28.4	Very low	217 Å²	217	116.4 Å²	116.4	82%	0.819	62%	0.622	S	S	*	*	S	Bend	trans	-139.9	135.2	167.4	-91.4	-171.7	175.8	-174.3	-1.2	112.3	A74	A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 3.33Å
77	F	30.9	Very low	28.2	Very low	186 Å²	186	121.7 Å²	121.7	82%	0.816	64%	0.643	S	S	*	*	S	Bend	trans	80.2	105	-171	-57.9	-75.7	0	0	0	113.4	R79	F77-R79 PolarHBondContact O-N 2.99Å
78	G	29.5	Very low	28.1	Very low	95 Å²	95	124 Å²	124	98%	0.979	66%	0.657	S	S	*	*			trans	-63.5	65.3	173	0	0	0	0	0	113.1
79	R	29.3	Very low	27.8	Very low	217 Å²	217	126 Å²	126	82%	0.819	67%	0.669	S	S	*	*			trans	-109	148.5	165.6	-78.4	-170.6	175.9	-168.5	-0.3	108.6	F77	F77-R79 PolarHBondContact O-N 2.99Å
80	P	33.2	Very low	28	Very low	108 Å²	108	125.4 Å²	125.4	70%	0.701	67%	0.672	S	S	*	*			trans	-65.4	147.4	-161.4	26	-32.7	0	0	0	111.6	F82	P80-F82 PolarHBondContact O-N 3.33Å
81	K	28.2	Very low	27.7	Very low	186 Å²	186	125.5 Å²	125.5	81%	0.809	68%	0.677	S	S	*	*			trans	-39.7	106.4	173.7	-67.4	175	177.7	177.6	0	110.4	N83	K81-N83 PolarHBondContact O-N 3.23Å; K81-N83 VanDerWaalsContact O-N 3.12Å
82	F	27.8	Very low	28	Very low	175 Å²	175	131 Å²	131	77%	0.768	70%	0.695	S	S	*	*			trans	-77.8	94.3	164	-93.4	-89.3	0	0	0	107.4	P80 L84	P80-F82 PolarHBondContact O-N 3.33Å; F82-L84 PolarHBondContact O-N 2.93Å; F82-L84 VanDerWaalsContact O-N 3.13Å
83	N	24.3	Very low	28	Very low	120 Å²	120	129.1 Å²	129.1	64%	0.642	69%	0.693	S	S	*	*			trans	-70.3	99.8	163.3	-80.7	-9.3	0	0	0	107.2	K81 T85	K81-N83 PolarHBondContact O-N 3.23Å; K81-N83 VanDerWaalsContact O-N 3.12Å; N83-T85 PolarHBondContact O-N 2.97Å
84	L	25.9	Very low	28	Very low	98 Å²	98	128.8 Å²	128.8	51%	0.513	69%	0.685	S	S	.	*			trans	-91.1	90.9	170.8	-152.1	75.5	0	0	0	108	F82 F86	F82-L84 PolarHBondContact O-N 2.93Å; F82-L84 VanDerWaalsContact O-N 3.13Å; L84-F86 HydrophobicContact CD2-CD2 4.49Å; L84-F86 HydrophobicContact CD2-CE2 3.59Å; L84-F86 HydrophobicContact CD2-CZ 3.7Å; L84-F86 HydrophobicContact CG-CE2 4.19Å; L84-F86 PolarHBondContact O-N 3.23Å
85	T	26.5	Very low	28.1	Very low	87 Å²	87	131.6 Å²	131.6	53%	0.534	69%	0.694	S	S	.	*			trans	-76	105.6	175.5	-50.7	0	0	0	0	108.7	N83 L87	N83-T85 PolarHBondContact O-N 2.97Å; T85-L87 PolarHBondContact O-N 3.1Å
86	F	26.1	Very low	27.8	Very low	109 Å²	109	134.3 Å²	134.3	48%	0.478	69%	0.692	S	S	.	*			trans	-79.1	107.3	168.1	-77.3	-86.3	0	0	0	109	L84 V88	L84-F86 HydrophobicContact CD2-CD2 4.49Å; L84-F86 HydrophobicContact CD2-CE2 3.59Å; L84-F86 HydrophobicContact CD2-CZ 3.7Å; L84-F86 HydrophobicContact CG-CE2 4.19Å; L84-F86 PolarHBondContact O-N 3.23Å; F86-V88 VanDerWaalsContact C-N 3.26Å; F86-V88 HydrophobicContact CB-CG2 4.31Å; F86-V88 PolarHBondContact O-N 3.2Å
87	L	23.2	Very low	27.7	Very low	141 Å²	141	131.3 Å²	131.3	74%	0.738	69%	0.692	S	S	*	*			trans	-69.8	89	160.3	-76.2	166.4	0	0	0	107.7	T85 S89	T85-L87 PolarHBondContact O-N 3.1Å; L87-S89 PolarHBondContact O-N 3.05Å
88	V	27.1	Very low	27.6	Very low	82 Å²	82	127.2 Å²	127.2	50%	0.497	68%	0.679	S	S	.	*			trans	-76.4	86.3	165.2	-176.3	0	0	0	0	106.7	F86 S90	F86-V88 VanDerWaalsContact C-N 3.26Å; F86-V88 HydrophobicContact CB-CG2 4.31Å; F86-V88 PolarHBondContact O-N 3.2Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.4Å
89	S	24.7	Very low	27.4	Very low	77 Å²	77	129.9 Å²	129.9	54%	0.538	67%	0.671	S	S	.	*			trans	-66.8	89.4	164.8	163.2	0	0	0	0	108	L87 N91	L87-S89 PolarHBondContact O-N 3.05Å; S89-N91 PolarHBondContact O-N 2.84Å
90	S	30	Very low	27.3	Very low	80 Å²	80	127.2 Å²	127.2	56%	0.559	67%	0.665	S	S	*	*			trans	-75.1	77.4	160.3	63.3	0	0	0	0	108.2	V88 Q92	V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.4Å; S90-Q92 PolarHBondContact O-N 2.99Å
91	N	26	Very low	26.9	Very low	116 Å²	116	128.3 Å²	128.3	62%	0.62	67%	0.665	S	S	*	*			trans	-68.8	87.6	163	-92	-11.7	0	0	0	107.3	S89 S93	S89-N91 PolarHBondContact O-N 2.84Å; N91-S93 PolarHBondContact O-N 2.93Å; N91-S93 VanDerWaalsContact O-N 3.16Å
92	Q	33.3	Very low	27.3	Very low	190 Å²	190	129.4 Å²	129.4	89%	0.888	67%	0.666	S	S	*	*			trans	-71.3	9.7	166.7	-87.3	-174.1	0.2	0	0	112.6	S90	S90-Q92 PolarHBondContact O-N 2.99Å
93	S	27.1	Very low	27.3	Very low	90 Å²	90	122.8 Å²	122.8	63%	0.629	65%	0.647	S	S	*	*			trans	-115	42.8	178	55.4	0	0	0	0	113	N91	N91-S93 PolarHBondContact O-N 2.93Å; N91-S93 VanDerWaalsContact O-N 3.16Å
94	F	26.3	Very low	27.6	Very low	143 Å²	143	122.7 Å²	122.7	63%	0.627	66%	0.656	S	S	*	*			trans	-143.9	57.3	159.4	-122.3	-88.4	0	0	0	111.3
95	V	30	Very low	27.8	Very low	139 Å²	139	126.5 Å²	126.5	84%	0.842	67%	0.671	S	S	*	*			trans	-115.1	58.7	146.7	-169.4	0	0	0	0	106.1
96	K	25.9	Very low	28.5	Very low	164 Å²	164	127.4 Å²	127.4	71%	0.713	68%	0.681	S	S	*	*	S	Bend	trans	-72.5	143.1	147.8	-85.4	-176.6	175.6	178.3	0	105.4	D98	K96-D98 PolarHBondContact O-N 3.11Å
97	N	27	Very low	29.4	Very low	155 Å²	155	129.1 Å²	129.1	83%	0.829	69%	0.694	S	S	*	*			trans	-53.3	83.4	169.3	-78.7	-20.5	0	0	0	109.2	N99	N97-N99 PolarHBondContact O-N 3.47Å
98	D	28	Very low	30.4	Very low	99 Å²	99	128.9 Å²	128.9	53%	0.529	70%	0.698	S	S	.	*			trans	-74.1	85.9	157.9	-74.1	-15.6	0	0	0	103.8	K96 F100	K96-D98 PolarHBondContact O-N 3.11Å; D98-F100 HydrophobicContact CB-CD2 4.28Å; D98-F100 PolarHBondContact O-N 2.84Å
99	N	25.1	Very low	31.7	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	71%	0.71	S	S	*	*			trans	-52	84	138.7	-83.7	-11.7	0	0	0	105.3	N97 D101	N97-N99 PolarHBondContact O-N 3.47Å; N99-D101 PolarHBondContact O-N 2.81Å
100	F	28.2	Very low	33.7	Very low	162 Å²	162	129 Å²	129	71%	0.711	72%	0.72	S	S	*	*			trans	-66	78.8	155.3	-122	-94.2	0	0	0	104.1	D98 Y102	D98-F100 HydrophobicContact CB-CD2 4.28Å; D98-F100 PolarHBondContact O-N 2.84Å; F100-Y102 PolarHBondContact O-N 3.31Å
101	D	24.1	Very low	35.9	Very low	130 Å²	130	129.8 Å²	129.8	70%	0.695	73%	0.731	S	S	*	*			trans	-54.8	104	153.5	-174.3	20.2	0	0	0	103.3	N99 G103	N99-D101 PolarHBondContact O-N 2.81Å; D101-G103 PolarHBondContact O-N 2.75Å; D101-G103 PolarHBondContact OD1-N 3.43Å
102	Y	36.2	Very low	38.8	Very low	209 Å²	209	126.3 Å²	126.3	82%	0.82	72%	0.715	S	S	*	*			trans	-62	75.8	151.2	-84.9	-92.1	0	0	0	104.1	F100 S104	F100-Y102 PolarHBondContact O-N 3.31Å; Y102-S104 PolarHBondContact O-N 3.17Å
103	G	28	Very low	41.5	Very low	36 Å²	36	119.9 Å²	119.9	37%	0.371	69%	0.69	S	S	.	*			trans	-46.7	125.1	174.4	0	0	0	0	0	103.4	D101 Q105	D101-G103 PolarHBondContact O-N 2.75Å; D101-G103 PolarHBondContact OD1-N 3.43Å; G103-Q105 PolarHBondContact O-N 2.88Å
104	S	31.2	Very low	44.4	Very low	118 Å²	118	117 Å²	117	83%	0.825	67%	0.672	S	S	*	*			trans	-47.4	77.2	179.4	50.6	0	0	0	0	110.3	Y102 S106	Y102-S104 PolarHBondContact O-N 3.17Å; S104-S106 PolarHBondContact O-N 3.14Å
105	Q	30.6	Very low	47.5	Very low	178 Å²	178	114.3 Å²	114.3	83%	0.832	66%	0.661	S	S	*	*			trans	-74.8	80.8	157.1	-80	-175.3	-6.1	0	0	102.7	G103	G103-Q105 PolarHBondContact O-N 2.88Å
106	S	41.2	Very low	50.4	Low	106 Å²	106	112.6 Å²	112.6	74%	0.741	64%	0.644	S	S	*	*			trans	-46.3	139.9	137.3	-178.3	0	0	0	0	107.3	S104	S104-S106 PolarHBondContact O-N 3.14Å
107	L	44	Very low	53.6	Low	146 Å²	146	105.1 Å²	105.1	76%	0.764	61%	0.612	S	S	*	*			trans	85.7	107.1	-157.1	-46.9	173.3	0	0	0	109.5
108	V	44.4	Very low	56.6	Low	135 Å²	135	101.1 Å²	101.1	82%	0.818	59%	0.585	S	S	*	*				-166.3	133.6	70.7	171.1	0	0	0	0	109.6
109	A	54.4	Low	59.7	Low	91 Å²	91	104 Å²	104	75%	0.752	59%	0.589	S	S	*	*			trans	47.2	128.5	158.8	0	0	0	0	0	118.7
110	G	66.1	Low	62.9	Low	72 Å²	72	100.4 Å²	100.4	74%	0.742	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-49.8	149.8	172.2	0	0	0	0	0	112
111	A	77.7	Confident	65.8	Low	95 Å²	95	92.9 Å²	92.9	79%	0.785	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-46.7	133.8	174.6	0	0	0	0	0	109.7	S113	A111-S113 PolarHBondContact O-N 3.09Å
112	P	85.9	Confident	68.9	Low	44 Å²	44	92 Å²	92	29%	0.286	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-58.5	136.6	-174.2	23.8	-32.9	0	0	0	109.8	E116 I117 F182	P112-E116 HydrophobicContact CB-CB 4.11Å; P112-I117 HydrophobicContact CB-CG1 3.89Å; P112-I117 HydrophobicContact CG-CD1 4.15Å; P112-I117 HydrophobicContact CG-CG1 3.82Å; P112-F182 HydrophobicContact CG-CE1 4.07Å
113	S	90	Very high	71.5	Confident	54 Å²	54	86.4 Å²	86.4	38%	0.378	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-60.7	157.3	173.4	64.9	0	0	0	0	110.9	A111 E115 E116 I117	A111-S113 PolarHBondContact O-N 3.09Å; S113-E115 PolarHBondContact O-N 2.99Å; S113-E115 VanDerWaalsContact O-N 3.11Å; S113-E116 VanDerWaalsContact CB-OE2 3.3Å; S113-E116 WeakPolarHBondContact CB-OE2 3.41Å; S113-E116 PolarHBondContact N-OE2 3.5Å; S113-E116 PolarHBondContact O-N 3.34Å; S113-E116 VanDerWaalsContact OG-CD 3.3Å; S113-E116 VanDerWaalsContact OG-CG 3.29Å; S113-E116 WeakPolarHBondContact OG-CG 3.41Å; S113-E116 PolarHBondContact OG-N 3.2Å; S113-E116 PolarHBondContact OG-OE2 3.36Å; S113-I117 WeakPolarHBondContact O-CG1 3.32Å; S113-I117 PolarHBondContact O-N 3.28Å
114	A	88.8	Confident	74.5	Confident	30 Å²	30	85.6 Å²	85.6	25%	0.248	50%	0.499	C	S	.	.	H	α-helix	trans	-56.3	-30.2	176	0	0	0	0	0	112.6	R118	A114-R118 WeakPolarHBondContact O-CB 3.43Å; A114-R118 PolarHBondContact O-N 3.5Å
115	E	90.3	Very high	77.2	Confident	86 Å²	86	81.8 Å²	81.8	40%	0.402	47%	0.47	S	S	.	.	H	α-helix	trans	-70.9	-43.5	176.1	-168.4	60.6	-141.6	0	0	112.1	S113 R118 R119	S113-E115 PolarHBondContact O-N 2.99Å; S113-E115 VanDerWaalsContact O-N 3.11Å; E115-R118 VanDerWaalsContact CD-NH1 3.34Å; E115-R118 PolarHBondContact O-N 3.06Å; E115-R118 IonicContact OE1-NH1 2.63Å; E115-R118 IonicContact OE2-CZ 3.57Å; E115-R118 IonicContact OE2-NH1 2.72Å; E115-R118 PolarHBondContact OE2-NH1 2.84Å; E115-R119 WeakPolarHBondContact O-CG 3.45Å; E115-R119 PolarHBondContact O-N 3.28Å; E115-R119 IonicContact OE1-NE 3.75Å
116	E	92.2	Very high	79.8	Confident	103 Å²	103	80 Å²	80	48%	0.481	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-45.2	174.8	-72.6	161.8	137.4	0	0	110.8	P112 S113 R118 R119 I120	P112-E116 HydrophobicContact CB-CB 4.11Å; S113-E116 VanDerWaalsContact CB-OE2 3.3Å; S113-E116 WeakPolarHBondContact CB-OE2 3.41Å; S113-E116 PolarHBondContact N-OE2 3.5Å; S113-E116 PolarHBondContact O-N 3.34Å; S113-E116 VanDerWaalsContact OG-CD 3.3Å; S113-E116 VanDerWaalsContact OG-CG 3.29Å; S113-E116 WeakPolarHBondContact OG-CG 3.41Å; S113-E116 PolarHBondContact OG-N 3.2Å; S113-E116 PolarHBondContact OG-OE2 3.36Å; E116-R118 VanDerWaalsContact C-N 3.29Å; E116-R118 PolarHBondContact O-N 2.99Å; E116-R119 PolarHBondContact O-N 2.95Å; E116-I120 VanDerWaalsContact O-CG1 3.25Å; E116-I120 WeakPolarHBondContact O-CG1 3.11Å; E116-I120 PolarHBondContact O-N 3.37Å
117	I	92.8	Very high	82.1	Confident	8 Å²	8	80.5 Å²	80.5	4%	0.041	46%	0.456	C	S	.	.	H	α-helix	trans	-59.3	-43.2	175.4	-60.3	174.4	0	0	0	110.2	P112 S113 R119 I120 V121 F182 Q208 L209	P112-I117 HydrophobicContact CB-CG1 3.89Å; P112-I117 HydrophobicContact CG-CD1 4.15Å; P112-I117 HydrophobicContact CG-CG1 3.82Å; S113-I117 WeakPolarHBondContact O-CG1 3.32Å; S113-I117 PolarHBondContact O-N 3.28Å; I117-R119 PolarHBondContact O-N 3.35Å; I117-I120 PolarHBondContact O-N 2.85Å; I117-V121 HydrophobicContact CG2-CG2 4.13Å; I117-V121 WeakPolarHBondContact O-CB 3.26Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 2.88Å; I117-F182 HydrophobicContact CD1-CD1 4.11Å; I117-F182 HydrophobicContact CG1-CD1 3.91Å; I117-F182 HydrophobicContact CG1-CE1 4.23Å; I117-F182 HydrophobicContact CG1-CG 4.45Å; I117-F182 HydrophobicContact CG2-CB 3.47Å; I117-F182 VanDerWaalsContact CG2-CB 3.47Å; I117-F182 HydrophobicContact CG2-CD1 3.87Å; I117-F182 HydrophobicContact CG2-CD2 4.02Å; I117-F182 HydrophobicContact CG2-CG 3.53Å; I117-Q208 HydrophobicContact CD1-CG 4.12Å; I117-L209 HydrophobicContact CB-CD2 3.78Å; I117-L209 HydrophobicContact CG2-CD2 3.51Å
118	R	89.4	Confident	84	Confident	70 Å²	70	73.8 Å²	73.8	26%	0.264	42%	0.421	S	S	.	.	H	α-helix	trans	-59	-48.4	179.2	-167.9	178.6	-55.5	115.5	8.3	111.5	A114 E115 E116 I120 V121 E122 L209	A114-R118 WeakPolarHBondContact O-CB 3.43Å; A114-R118 PolarHBondContact O-N 3.5Å; E115-R118 VanDerWaalsContact CD-NH1 3.34Å; E115-R118 PolarHBondContact O-N 3.06Å; E115-R118 IonicContact OE1-NH1 2.63Å; E115-R118 IonicContact OE2-CZ 3.57Å; E115-R118 IonicContact OE2-NH1 2.72Å; E115-R118 PolarHBondContact OE2-NH1 2.84Å; E116-R118 VanDerWaalsContact C-N 3.29Å; E116-R118 PolarHBondContact O-N 2.99Å; R118-I120 VanDerWaalsContact C-N 3.32Å; R118-I120 PolarHBondContact O-N 3.15Å; R118-V121 PolarHBondContact O-N 3.03Å; R118-E122 WeakPolarHBondContact CD-OE1 3.43Å; R118-E122 HydrophobicContact CG-CG 4.32Å; R118-E122 WeakPolarHBondContact CG-OE1 3.48Å; R118-E122 WeakPolarHBondContact O-CB 3.4Å; R118-E122 VanDerWaalsContact O-CG 3.32Å; R118-E122 WeakPolarHBondContact O-CG 3.27Å; R118-E122 PolarHBondContact O-N 3.31Å; R118-L209 HydrophobicContact CB-CD2 3.96Å; R118-L209 PolarHBondContact NH2-O 2.83Å
119	R	92.8	Very high	86.2	Confident	159 Å²	159	72.2 Å²	72.2	60%	0.6	41%	0.405	S	S	*	.	H	α-helix	trans	-59.8	-42.8	177.8	-68.3	177.9	-164.1	-169.1	5.1	111.9	E115 E116 I117 E122 D123	E115-R119 WeakPolarHBondContact O-CG 3.45Å; E115-R119 PolarHBondContact O-N 3.28Å; E115-R119 IonicContact OE1-NE 3.75Å; E116-R119 PolarHBondContact O-N 2.95Å; I117-R119 PolarHBondContact O-N 3.35Å; R119-E122 PolarHBondContact O-N 3.15Å; R119-D123 WeakPolarHBondContact O-CB 3.38Å; R119-D123 PolarHBondContact O-N 3.1Å
120	I	92.7	Very high	88.1	Confident	77 Å²	77	68.4 Å²	68.4	40%	0.395	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-43.1	178.2	-63.2	165.5	0	0	0	111	E116 I117 R118 N124 F182	E116-I120 VanDerWaalsContact O-CG1 3.25Å; E116-I120 WeakPolarHBondContact O-CG1 3.11Å; E116-I120 PolarHBondContact O-N 3.37Å; I117-I120 PolarHBondContact O-N 2.85Å; R118-I120 VanDerWaalsContact C-N 3.32Å; R118-I120 PolarHBondContact O-N 3.15Å; I120-N124 WeakPolarHBondContact O-CB 3.32Å; I120-N124 PolarHBondContact O-N 3.11Å; I120-F182 HydrophobicContact CB-CE2 4.24Å; I120-F182 HydrophobicContact CD1-CE2 4.43Å; I120-F182 HydrophobicContact CD1-CZ 3.96Å; I120-F182 HydrophobicContact CG2-CE2 3.59Å; I120-F182 HydrophobicContact CG2-CZ 4.13Å
121	V	89.4	Confident	89.6	Confident	3 Å²	3	66 Å²	66	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-63.4	-46.8	177.9	159.9	0	0	0	0	111.2	I117 R118 N125 F182 F202 L209	I117-V121 HydrophobicContact CG2-CG2 4.13Å; I117-V121 WeakPolarHBondContact O-CB 3.26Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 2.88Å; R118-V121 PolarHBondContact O-N 3.03Å; V121-N125 VanDerWaalsContact O-CB 3.28Å; V121-N125 WeakPolarHBondContact O-CB 3.16Å; V121-N125 VanDerWaalsContact O-CG 3.22Å; V121-N125 PolarHBondContact O-N 2.93Å; V121-N125 PolarHBondContact O-ND2 2.84Å; V121-F182 HydrophobicContact CG2-CD2 4.33Å; V121-F202 HydrophobicContact CB-CB 4.17Å; V121-F202 HydrophobicContact CG1-CB 3.67Å; V121-F202 HydrophobicContact CG2-CB 3.73Å; V121-F202 HydrophobicContact CG2-CD1 4.07Å; V121-F202 HydrophobicContact CG2-CD2 4.41Å; V121-F202 HydrophobicContact CG2-CG 3.82Å; V121-L209 HydrophobicContact CG1-CD1 4.3Å
122	E	88	Confident	90.5	Very high	112 Å²	112	62.1 Å²	62.1	52%	0.523	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-48.8	177.6	-74.4	173.1	-179.5	0	0	111.2	R118 R119 N125 L126	R118-E122 WeakPolarHBondContact CD-OE1 3.43Å; R118-E122 HydrophobicContact CG-CG 4.32Å; R118-E122 WeakPolarHBondContact CG-OE1 3.48Å; R118-E122 WeakPolarHBondContact O-CB 3.4Å; R118-E122 VanDerWaalsContact O-CG 3.32Å; R118-E122 WeakPolarHBondContact O-CG 3.27Å; R118-E122 PolarHBondContact O-N 3.31Å; R119-E122 PolarHBondContact O-N 3.15Å; E122-N125 PolarHBondContact O-N 3.03Å; E122-L126 VanDerWaalsContact O-CB 3.23Å; E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 PolarHBondContact O-N 2.99Å
123	D	91.2	Very high	91	Very high	92 Å²	92	62.3 Å²	62.3	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-48.1	178.1	-175.6	78.2	0	0	0	111.9	R119 N125 L126 H127	R119-D123 WeakPolarHBondContact O-CB 3.38Å; R119-D123 PolarHBondContact O-N 3.1Å; D123-N125 PolarHBondContact O-N 3.1Å; D123-L126 PolarHBondContact O-N 3.47Å; D123-H127 WeakPolarHBondContact O-CB 3.43Å; D123-H127 PolarHBondContact O-N 3.3Å; D123-H127 PolarHBondContact O-ND1 3.43Å; D123-H127 IonicContact OD1-CE1 3.45Å; D123-H127 PolarHBondContact OD1-CE1 3.04Å; D123-H127 IonicContact OD1-ND1 3.15Å; D123-H127 PolarHBondContact OD1-ND1 2.97Å; D123-H127 VanDerWaalsContact OD1-ND1 3.13Å; D123-H127 IonicContact OD2-ND1 2.85Å; D123-H127 PolarHBondContact OD2-ND1 2.9Å
124	N	91.2	Very high	91.3	Very high	18 Å²	18	66.5 Å²	66.5	10%	0.096	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-46.1	178.1	178.2	97.5	0	0	0	111.8	I120 L126 A128 Q200 F202	I120-N124 WeakPolarHBondContact O-CB 3.32Å; I120-N124 PolarHBondContact O-N 3.11Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-A128 WeakPolarHBondContact O-CA 3.36Å; N124-A128 PolarHBondContact O-N 3.49Å; N124-Q200 PolarHBondContact ND2-O 3.47Å; N124-F202 HydrophobicContact CB-CD2 4.16Å; N124-F202 HydrophobicContact CB-CE2 4.14Å; N124-F202 WeakPolarHBondContact ND2-CD2 3.44Å
125	N	87.5	Confident	91.7	Very high	39 Å²	39	69.8 Å²	69.8	21%	0.209	34%	0.34	C	S	.	.	H	α-helix	trans	-68.4	-34.4	-178.7	-75.5	-10.8	0	0	0	112.5	V121 E122 D123 I201 F202	V121-N125 VanDerWaalsContact O-CB 3.28Å; V121-N125 WeakPolarHBondContact O-CB 3.16Å; V121-N125 VanDerWaalsContact O-CG 3.22Å; V121-N125 PolarHBondContact O-N 2.93Å; V121-N125 PolarHBondContact O-ND2 2.84Å; E122-N125 PolarHBondContact O-N 3.03Å; D123-N125 PolarHBondContact O-N 3.1Å; N125-I201 WeakPolarHBondContact OD1-CA 3.27Å; N125-F202 PolarHBondContact ND2-O 3.44Å; N125-F202 PolarHBondContact OD1-N 3.45Å
126	L	86	Confident	92	Very high	141 Å²	141	67.8 Å²	67.8	74%	0.738	33%	0.33	S	S	*	.	H	α-helix	trans	-66.8	-49.4	175.7	-179.9	65.1	0	0	0	111.1	E122 D123 N124	E122-L126 VanDerWaalsContact O-CB 3.23Å; E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 PolarHBondContact O-N 2.99Å; D123-L126 PolarHBondContact O-N 3.47Å; N124-L126 VanDerWaalsContact C-N 3.34Å
127	H	88.4	Confident	92.1	Very high	116 Å²	116	63.8 Å²	63.8	54%	0.537	32%	0.316	S	S	.	.	H	α-helix	trans	-75.9	-31.2	-178	-68.5	103.6	0	0	0	112.8	D123 E129	D123-H127 WeakPolarHBondContact O-CB 3.43Å; D123-H127 PolarHBondContact O-N 3.3Å; D123-H127 PolarHBondContact O-ND1 3.43Å; D123-H127 IonicContact OD1-CE1 3.45Å; D123-H127 PolarHBondContact OD1-CE1 3.04Å; D123-H127 IonicContact OD1-ND1 3.15Å; D123-H127 PolarHBondContact OD1-ND1 2.97Å; D123-H127 VanDerWaalsContact OD1-ND1 3.13Å; D123-H127 IonicContact OD2-ND1 2.85Å; D123-H127 PolarHBondContact OD2-ND1 2.9Å; H127-E129 PolarHBondContact O-N 3Å
128	A	84.3	Confident	92.1	Very high	4 Å²	4	66 Å²	66	3%	0.033	33%	0.331	C	S	.	.			trans	47.8	47.5	178.5	0	0	0	0	0	111.7	N124 I130 M199 R260	N124-A128 WeakPolarHBondContact O-CA 3.36Å; N124-A128 PolarHBondContact O-N 3.49Å; A128-I130 PolarHBondContact O-N 2.93Å; A128-M199 HydrophobicContact CB-CE 3.46Å; A128-M199 VanDerWaalsContact CB-CE 3.46Å; A128-R260 HydrophobicContact CB-CG 4.28Å; A128-R260 WeakPolarHBondContact O-CD 3.09Å
129	E	91.3	Very high	92	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.481	33%	0.325	S	S	.	.			trans	-58.6	133.5	-176.2	-173.2	-176.2	-160.1	0	0	110.1	H127 L131 R191	H127-E129 PolarHBondContact O-N 3Å; E129-L131 HydrophobicContact CG-CD2 4.14Å; E129-R191 IonicContact OE2-NH1 3.63Å
130	I	93.9	Very high	91.6	Very high	11 Å²	11	61.1 Å²	61.1	6%	0.056	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.9	174.1	-57.4	-180	0	0	0	107.5	A128 E133 A139 L174 R197 V198 M199 R260	A128-I130 PolarHBondContact O-N 2.93Å; I130-E133 HydrophobicContact CB-CG 3.85Å; I130-E133 HydrophobicContact CG2-CG 3.6Å; I130-A139 HydrophobicContact CD1-CB 3.29Å; I130-A139 HydrophobicContact CG2-CB 4.49Å; I130-L174 HydrophobicContact CD1-CD1 4.22Å; I130-L174 HydrophobicContact CD1-CD2 4.44Å; I130-L174 HydrophobicContact CG2-CD1 3.75Å; I130-R197 HydrophobicContact CG2-CB 4.03Å; I130-V198 CarbonylContact C-O 3.55Å; I130-V198 WeakPolarHBondContact CA-O 3.41Å; I130-M199 HydrophobicContact CD1-SD 4.29Å; I130-M199 HydrophobicContact CG1-CB 4.2Å; I130-M199 HydrophobicContact CG1-CG 4.24Å; I130-M199 HydrophobicContact CG1-SD 4.06Å; I130-R260 VanDerWaalsContact CG1-NH1 3.32Å
131	L	96.8	Very high	91.4	Very high	22 Å²	22	62.9 Å²	62.9	12%	0.115	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	151	179.2	-50.6	178.2	0	0	0	110.4	E129 E133 R191 R197 V198	E129-L131 HydrophobicContact CG-CD2 4.14Å; L131-E133 PolarHBondContact O-N 2.99Å; L131-R191 HydrophobicContact CD1-CB 4.4Å; L131-R191 HydrophobicContact CD1-CG 4.08Å; L131-R197 WeakPolarHBondContact O-CA 3.38Å; L131-V198 HydrophobicContact CB-CB 4.25Å; L131-V198 HydrophobicContact CD1-CB 4.46Å; L131-V198 HydrophobicContact CD1-CG1 4.3Å; L131-V198 PolarHBondContact N-O 2.8Å; L131-V198 PolarHBondContact O-N 3.5Å; L131-V198 VanDerWaalsContact O-N 3.17Å
132	N	97.6	Very high	91.5	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.064	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	17.3	175.1	-40.3	-46.4	0	0	0	114.3	D134 V135 F136 I193 K194 C196	N132-D134 VanDerWaalsContact CA-OD1 3.26Å; N132-D134 WeakPolarHBondContact CA-OD1 3.44Å; N132-D134 PolarHBondContact O-N 2.92Å; N132-V135 PolarHBondContact O-N 3.31Å; N132-F136 HydrophobicContact CB-CD2 3.69Å; N132-F136 HydrophobicContact CB-CE2 3.84Å; N132-F136 WeakPolarHBondContact O-CD2 3.22Å; N132-F136 PolarHBondContact O-N 2.79Å; N132-I193 PolarHBondContact ND2-O 2.82Å; N132-K194 VanDerWaalsContact OD1-CD 3.27Å; N132-K194 WeakPolarHBondContact OD1-CD 3.26Å; N132-K194 PolarHBondContact OD1-NZ 2.91Å; N132-C196 PolarHBondContact ND2-O 3.12Å
133	E	95.9	Very high	91.6	Very high	48 Å²	48	62.9 Å²	62.9	22%	0.224	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-24.3	171.9	-71.6	-164.8	109.5	0	0	111.9	I130 L131 V135 G137 P138 A139 R260	I130-E133 HydrophobicContact CB-CG 3.85Å; I130-E133 HydrophobicContact CG2-CG 3.6Å; L131-E133 PolarHBondContact O-N 2.99Å; E133-V135 VanDerWaalsContact C-N 3.34Å; E133-G137 CarbonylContact O-C 3.58Å; E133-G137 WeakPolarHBondContact O-CA 3.46Å; E133-G137 PolarHBondContact O-N 3.39Å; E133-P138 VanDerWaalsContact OE1-CA 3.26Å; E133-P138 WeakPolarHBondContact OE1-CA 3.3Å; E133-A139 PolarHBondContact OE1-N 2.97Å; E133-R260 IonicContact OE1-NH2 3.59Å; E133-R260 PolarHBondContact OE1-NH2 3.32Å; E133-R260 IonicContact OE2-CZ 3.89Å; E133-R260 IonicContact OE2-NH1 2.7Å; E133-R260 PolarHBondContact OE2-NH1 3.28Å; E133-R260 IonicContact OE2-NH2 3.2Å; E133-R260 PolarHBondContact OE2-NH2 3.27Å; E133-R260 VanDerWaalsContact OE2-NH2 3.13Å
134	D	96.3	Very high	91.5	Very high	143 Å²	143	59.2 Å²	59.2	77%	0.765	32%	0.32	S	S	*	.	H	α-helix	trans	-66.3	-32	174.1	61.1	-57.2	0	0	0	113.1	N132	N132-D134 VanDerWaalsContact CA-OD1 3.26Å; N132-D134 WeakPolarHBondContact CA-OD1 3.44Å; N132-D134 PolarHBondContact O-N 2.92Å
135	V	97.1	Very high	91.7	Very high	98 Å²	98	58.4 Å²	58.4	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-92.9	-43.6	-180	-178.3	0	0	0	0	111.6	N132 E133	N132-V135 PolarHBondContact O-N 3.31Å; E133-V135 VanDerWaalsContact C-N 3.34Å
136	F	96.9	Very high	92.2	Very high	45 Å²	45	56.5 Å²	56.5	20%	0.197	31%	0.306	C	S	.	.	H	α-helix	trans	-99.6	-7.2	-172.5	-59.2	-69.7	0	0	0	113.1	N132 N171 K194 F195 C196 R197	N132-F136 HydrophobicContact CB-CD2 3.69Å; N132-F136 HydrophobicContact CB-CE2 3.84Å; N132-F136 WeakPolarHBondContact O-CD2 3.22Å; N132-F136 PolarHBondContact O-N 2.79Å; F136-N171 HydrophobicContact CD1-CB 3.95Å; F136-N171 HydrophobicContact CE1-CB 3.77Å; F136-K194 WeakPolarHBondContact CE2-O 3.43Å; F136-K194 WeakPolarHBondContact CZ-O 3.48Å; F136-F195 WeakPolarHBondContact CZ-O 3.42Å; F136-C196 VanDerWaalsContact CE2-CA 3.48Å; F136-R197 HydrophobicContact CB-CG 3.72Å; F136-R197 HydrophobicContact CD2-CG 4.48Å; F136-R197 HydrophobicContact CG-CG 4.46Å; F136-R197 VanDerWaalsContact O-CZ 3.29Å; F136-R197 PolarHBondContact O-NH2 3.36Å
137	G	94.4	Very high	92.7	Very high	19 Å²	19	50.9 Å²	50.9	20%	0.196	28%	0.277	C	S	.	.			trans	80.4	179.2	-172.4	0	0	0	0	0	112.7	E133 R197	E133-G137 CarbonylContact O-C 3.58Å; E133-G137 WeakPolarHBondContact O-CA 3.46Å; E133-G137 PolarHBondContact O-N 3.39Å; G137-R197 WeakPolarHBondContact O-CD 3.48Å; G137-R197 PolarHBondContact O-NE 2.72Å
138	P	92.2	Very high	93.1	Very high	54 Å²	54	45.3 Å²	45.3	35%	0.351	25%	0.252	S	S	.	.			trans	-67.4	152.5	-169.6	27.4	-35.3	0	0	0	112.9	E133 S140 Q141 R197	E133-P138 VanDerWaalsContact OE1-CA 3.26Å; E133-P138 WeakPolarHBondContact OE1-CA 3.3Å; P138-S140 PolarHBondContact O-N 2.87Å; P138-S140 VanDerWaalsContact O-N 3.11Å; P138-Q141 HydrophobicContact CG-CG 4.02Å; P138-Q141 WeakPolarHBondContact O-CB 3.37Å; P138-Q141 PolarHBondContact O-N 3.49Å; P138-R197 PolarHBondContact O-NE 2.91Å
139	A	87.8	Confident	93.6	Very high	16 Å²	16	46.7 Å²	46.7	13%	0.132	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-57.6	-26.1	179.4	0	0	0	0	0	114.7	I130 E133 Q141 A142 L174	I130-A139 HydrophobicContact CD1-CB 3.29Å; I130-A139 HydrophobicContact CG2-CB 4.49Å; E133-A139 PolarHBondContact OE1-N 2.97Å; A139-Q141 PolarHBondContact O-N 3.17Å; A139-A142 VanDerWaalsContact O-CB 3.25Å; A139-A142 WeakPolarHBondContact O-CB 3.49Å; A139-A142 PolarHBondContact O-N 3.37Å; A139-L174 HydrophobicContact CB-CD2 4.25Å
140	S	85.5	Confident	93.7	Very high	111 Å²	111	41.8 Å²	41.8	78%	0.776	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-64.4	-16.3	173.6	60.5	0	0	0	0	113.7	P138	P138-S140 PolarHBondContact O-N 2.87Å; P138-S140 VanDerWaalsContact O-N 3.11Å
141	Q	87.4	Confident	93.6	Very high	113 Å²	113	43.7 Å²	43.7	53%	0.528	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-93.7	0.1	173.6	-65	178.8	6.7	0	0	112.9	P138 A139 H143	P138-Q141 HydrophobicContact CG-CG 4.02Å; P138-Q141 WeakPolarHBondContact O-CB 3.37Å; P138-Q141 PolarHBondContact O-N 3.49Å; A139-Q141 PolarHBondContact O-N 3.17Å; Q141-H143 PolarHBondContact O-CD2 2.86Å; Q141-H143 PolarHBondContact O-N 3.28Å
142	A	91.3	Very high	93.4	Very high	11 Å²	11	47.4 Å²	47.4	9%	0.091	26%	0.263	C	S	.	.			trans	-67	128.7	170.8	0	0	0	0	0	109.6	A139 W172 L174	A139-A142 VanDerWaalsContact O-CB 3.25Å; A139-A142 WeakPolarHBondContact O-CB 3.49Å; A139-A142 PolarHBondContact O-N 3.37Å; A142-W172 WeakPolarHBondContact CA-O 3.22Å; A142-L174 HydrophobicContact CB-CB 3.74Å
143	H	90.5	Very high	93.3	Very high	105 Å²	105	50.2 Å²	50.2	49%	0.486	27%	0.273	S	S	.	.	S	Bend	trans	-76.1	-31.3	178.4	-76.4	-123.6	0	0	0	111.6	Q141 W172	Q141-H143 PolarHBondContact O-CD2 2.86Å; Q141-H143 PolarHBondContact O-N 3.28Å; H143-W172 HydrophobicContact CB-CB 4.28Å; H143-W172 HydrophobicContact CB-CE3 4.19Å; H143-W172 AromaticContact CE1-CE3 3.85Å; H143-W172 AromaticContact CE1-CZ3 3.77Å; H143-W172 AromaticContact CG-CE3 3.69Å; H143-W172 PolarHBondContact N-O 3.03Å; H143-W172 AromaticContact ND1-CE3 3.55Å; H143-W172 AromaticContact ND1-CZ3 3.71Å
144	Y	89.9	Confident	93.3	Very high	14 Å²	14	49.6 Å²	49.6	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151	179.3	-40.3	-73	0	0	0	110.7	V173 L174 F285 N286	Y144-V173 HydrophobicContact CD2-CG2 4.3Å; Y144-V173 WeakPolarHBondContact O-CA 3.43Å; Y144-L174 PolarHBondContact O-N 3.22Å; Y144-F285 HydrophobicContact CD1-CD1 4.02Å; Y144-F285 AromaticContact CD1-CE1 3.52Å; Y144-F285 HydrophobicContact CD1-CE1 3.52Å; Y144-F285 HydrophobicContact CE1-CD1 4.29Å; Y144-F285 HydrophobicContact CE1-CE1 4.1Å; Y144-F285 HydrophobicContact CG-CD1 4.42Å; Y144-F285 HydrophobicContact CG-CE1 4.08Å; Y144-N286 HydrophobicContact CE1-CB 4.45Å; Y144-N286 VanDerWaalsContact OH-CB 3.31Å; Y144-N286 WeakPolarHBondContact OH-CB 3.31Å; Y144-N286 PolarHBondContact OH-OD1 2.03Å
145	V	95	Very high	93.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.6	168.3	178.6	0	0	0	0	107.7	V147 L174 I176 L261 Y264 V268 V269	V145-V147 HydrophobicContact CG1-CG2 4.01Å; V145-L174 WeakPolarHBondContact CA-O 3.26Å; V145-L174 HydrophobicContact CG2-CB 4.4Å; V145-L174 HydrophobicContact CG2-CD2 4.38Å; V145-I176 HydrophobicContact CG1-CD1 3.58Å; V145-I176 HydrophobicContact CG1-CG1 4.11Å; V145-L261 HydrophobicContact CG1-CD1 4.11Å; V145-L261 HydrophobicContact CG2-CD1 4.48Å; V145-L261 HydrophobicContact CG2-CD2 4.41Å; V145-Y264 HydrophobicContact CB-CE1 4.07Å; V145-Y264 HydrophobicContact CG2-CD1 4.03Å; V145-Y264 HydrophobicContact CG2-CD2 4.26Å; V145-Y264 HydrophobicContact CG2-CE1 3.64Å; V145-Y264 HydrophobicContact CG2-CE2 3.89Å; V145-Y264 HydrophobicContact CG2-CG 4.31Å; V145-Y264 PolarHBondContact N-OH 3.28Å; V145-V268 HydrophobicContact CB-CG1 4.42Å; V145-V268 HydrophobicContact CB-CG2 4.3Å; V145-V268 HydrophobicContact CG1-CG1 4.14Å; V145-V268 WeakPolarHBondContact O-CA 3.47Å; V145-V269 PolarHBondContact O-N 2.71Å
146	V	97.4	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.7	171.2	178.1	0	0	0	0	107.1	V148 V173 L174 L175 I176 V269 L271 L282	V146-V148 HydrophobicContact CG1-CG2 4.42Å; V146-V173 HydrophobicContact CB-CG1 3.85Å; V146-V173 HydrophobicContact CG2-CG1 3.58Å; V146-V173 HydrophobicContact CG2-CG2 4.42Å; V146-L174 PolarHBondContact N-O 2.95Å; V146-L175 HydrophobicContact CB-CD1 3.87Å; V146-L175 HydrophobicContact CG1-CD1 3.76Å; V146-I176 PolarHBondContact O-N 2.97Å; V146-V269 CarbonylContact C-O 3.51Å; V146-V269 WeakPolarHBondContact CA-O 3.32Å; V146-V269 HydrophobicContact CG2-CB 4.3Å; V146-L271 HydrophobicContact CG1-CD1 3.66Å; V146-L271 HydrophobicContact CG1-CG 4.22Å; V146-L282 HydrophobicContact CG2-CD2 4.43Å
147	V	96.3	Very high	93.3	Very high	22 Å²	22	44.8 Å²	44.8	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.3	176.6	-177.5	0	0	0	0	108.3	V145 I176 V268 V269 F270 L271	V145-V147 HydrophobicContact CG1-CG2 4.01Å; V147-I176 CarbonylContact C-O 3.27Å; V147-I176 WeakPolarHBondContact CA-O 3.44Å; V147-I176 HydrophobicContact CG2-CB 4.26Å; V147-I176 HydrophobicContact CG2-CD1 4.44Å; V147-V268 HydrophobicContact CB-CG1 4.39Å; V147-V268 HydrophobicContact CG2-CG1 3.56Å; V147-V269 PolarHBondContact N-O 3.25Å; V147-F270 HydrophobicContact CB-CD1 4.07Å; V147-F270 HydrophobicContact CB-CE1 4.27Å; V147-F270 HydrophobicContact CG1-CD1 4.42Å; V147-F270 HydrophobicContact CG2-CE1 4.43Å; V147-F270 WeakPolarHBondContact O-CA 3.25Å; V147-L271 PolarHBondContact O-N 3.16Å
148	V	97.4	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.6	175.5	-177.5	0	0	0	0	108	V146 V150 L157 L160 L175 I176 F177 S178 L271	V146-V148 HydrophobicContact CG1-CG2 4.42Å; V148-V150 HydrophobicContact CB-CG2 4.49Å; V148-V150 HydrophobicContact CG1-CG2 3.98Å; V148-V150 PolarHBondContact O-N 2.85Å; V148-L157 HydrophobicContact CG1-CD1 4.05Å; V148-L160 HydrophobicContact CB-CD2 4.45Å; V148-L160 HydrophobicContact CG1-CD2 3.55Å; V148-L160 HydrophobicContact CG2-CD2 3.98Å; V148-L175 HydrophobicContact CG2-CD1 3.8Å; V148-I176 PolarHBondContact N-O 2.95Å; V148-F177 HydrophobicContact CB-CD1 3.9Å; V148-F177 HydrophobicContact CB-CE1 4.23Å; V148-F177 HydrophobicContact CG1-CD1 4.17Å; V148-F177 HydrophobicContact CG1-CE1 4.39Å; V148-F177 HydrophobicContact CG2-CD1 4.35Å; V148-F177 HydrophobicContact CG2-CE1 4.22Å; V148-S178 PolarHBondContact O-N 3.36Å; V148-L271 CarbonylContact C-O 3.54Å; V148-L271 WeakPolarHBondContact CA-O 3.49Å; V148-L271 HydrophobicContact CG2-CB 4.34Å
149	Q	94.2	Very high	93.8	Very high	33 Å²	33	44.1 Å²	44.1	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	120.9	166.5	-178.6	176.5	-14.2	0	0	109	H151 F255 L271 E273	Q149-H151 PolarHBondContact NE2-CE1 2.88Å; Q149-F255 HydrophobicContact CG-CZ 4.46Å; Q149-L271 PolarHBondContact N-O 3.04Å; Q149-E273 PolarHBondContact O-N 3.16Å
150	V	94.3	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.9	-176.8	-177.1	0	0	0	0	109.3	V148 L157 F177 S178 D180 L186	V148-V150 HydrophobicContact CB-CG2 4.49Å; V148-V150 HydrophobicContact CG1-CG2 3.98Å; V148-V150 PolarHBondContact O-N 2.85Å; V150-L157 HydrophobicContact CG1-CD2 4.02Å; V150-L157 HydrophobicContact CG2-CD1 4.06Å; V150-L157 HydrophobicContact CG2-CD2 4.37Å; V150-F177 HydrophobicContact CG2-CB 3.98Å; V150-F177 HydrophobicContact CG2-CD1 3.72Å; V150-F177 HydrophobicContact CG2-CG 4.35Å; V150-S178 PolarHBondContact N-O 2.81Å; V150-D180 PolarHBondContact O-N 2.79Å; V150-D180 VanDerWaalsContact O-N 3.08Å; V150-L186 HydrophobicContact CG1-CD1 4.13Å; V150-L186 HydrophobicContact CG1-CD2 4.17Å
151	H	92.3	Very high	95	Very high	50 Å²	50	38.4 Å²	38.4	23%	0.231	18%	0.175	C	C	.	.			trans	-97.4	-122	171.3	-59.9	-66.7	0	0	0	109.1	Q149 D180 L186 E273	Q149-H151 PolarHBondContact NE2-CE1 2.88Å; H151-D180 WeakPolarHBondContact CA-OD1 3.16Å; H151-D180 IonicContact CE1-OD2 2.92Å; H151-D180 PolarHBondContact CE1-OD2 3.11Å; H151-D180 IonicContact CG-OD2 3.86Å; H151-D180 VanDerWaalsContact ND1-CG 3.32Å; H151-D180 IonicContact ND1-OD1 2.72Å; H151-D180 PolarHBondContact ND1-OD1 2.79Å; H151-D180 IonicContact ND1-OD2 3.11Å; H151-D180 PolarHBondContact ND1-OD2 3.09Å; H151-L186 WeakPolarHBondContact O-CD1 3.5Å; H151-E273 WeakPolarHBondContact CA-OE2 3.41Å; H151-E273 WeakPolarHBondContact CB-OE1 3.06Å; H151-E273 PolarHBondContact N-OE2 3.31Å
152	N	92.5	Very high	95.5	Very high	101 Å²	101	37.3 Å²	37.3	54%	0.54	17%	0.171	S	C	.	.	S	Bend	trans	-126.4	14.8	-178	70.6	-7.1	0	0	0	113.5	L154 Y181	N152-L154 PolarHBondContact O-N 3.16Å; N152-Y181 HydrophobicContact CB-CD1 3.72Å; N152-Y181 HydrophobicContact CB-CE1 4.09Å; N152-Y181 HydrophobicContact CB-CG 4.11Å
153	R	93.9	Very high	95.8	Very high	70 Å²	70	36.9 Å²	36.9	26%	0.264	17%	0.167	S	C	.	.			trans	-104.1	78.8	-175.8	-47.7	174.9	-62.3	-178.6	-8.1	111.9	R155 Y156 L157 E273 D274	R153-R155 VanDerWaalsContact C-N 3.26Å; R153-R155 PolarHBondContact O-N 3.26Å; R153-R155 VanDerWaalsContact O-N 3.12Å; R153-Y156 HydrophobicContact CB-CD2 3.71Å; R153-Y156 HydrophobicContact CG-CD2 4.36Å; R153-Y156 PolarHBondContact O-N 3.08Å; R153-L157 PolarHBondContact O-N 3.35Å; R153-E273 VanDerWaalsContact CB-OE1 3.26Å; R153-E273 WeakPolarHBondContact CB-OE1 3.32Å; R153-E273 WeakPolarHBondContact CG-OE1 3.49Å; R153-E273 IonicContact CZ-OE1 3.58Å; R153-E273 PolarHBondContact N-OE1 3.37Å; R153-E273 PolarHBondContact N-OE2 3.21Å; R153-E273 IonicContact NE-OE1 3.85Å; R153-E273 PolarHBondContact NE-OE1 3.46Å; R153-E273 IonicContact NH2-OE1 2.68Å; R153-E273 PolarHBondContact NH2-OE1 2.87Å; R153-E273 VanDerWaalsContact NH2-OE1 3.17Å; R153-D274 IonicContact CZ-OD2 3.45Å; R153-D274 IonicContact NH1-OD2 2.88Å; R153-D274 PolarHBondContact NH1-OD2 3.31Å; R153-D274 IonicContact NH2-OD1 3.03Å; R153-D274 IonicContact NH2-OD2 3.94Å; R153-D274 PolarHBondContact NH2-OD2 3.26Å
154	L	96.4	Very high	96.2	Very high	35 Å²	35	31.9 Å²	31.9	18%	0.183	14%	0.144	C	C	.	.	H	α-helix	trans	-48.3	-42.9	-179.5	176	60.2	0	0	0	113.8	N152 Y156 L157 E158 E185 L186 F189	N152-L154 PolarHBondContact O-N 3.16Å; L154-Y156 VanDerWaalsContact C-N 3.29Å; L154-Y156 PolarHBondContact O-N 3.49Å; L154-L157 WeakPolarHBondContact O-CB 3.4Å; L154-L157 PolarHBondContact O-N 3.11Å; L154-E158 HydrophobicContact CD1-CG 4.16Å; L154-E158 HydrophobicContact CG-CG 4.36Å; L154-E158 WeakPolarHBondContact O-CG 3.27Å; L154-E158 PolarHBondContact O-N 3.33Å; L154-E185 HydrophobicContact CD2-CB 4.27Å; L154-L186 HydrophobicContact CB-CD2 3.96Å; L154-L186 HydrophobicContact CD1-CD2 3.85Å; L154-F189 HydrophobicContact CD1-CB 3.78Å; L154-F189 HydrophobicContact CD1-CD1 3.7Å; L154-F189 HydrophobicContact CD1-CD2 4.43Å; L154-F189 HydrophobicContact CD1-CE1 4.44Å; L154-F189 HydrophobicContact CD1-CG 3.69Å
155	R	96.1	Very high	96.6	Very high	158 Å²	158	36.6 Å²	36.6	60%	0.596	17%	0.166	S	C	*	.	H	α-helix	trans	-62	-32.4	-179.4	-65.3	-55.3	-171.3	-172.8	-1.4	114	R153 E158 K159 A402	R153-R155 VanDerWaalsContact C-N 3.26Å; R153-R155 PolarHBondContact O-N 3.26Å; R153-R155 VanDerWaalsContact O-N 3.12Å; R155-E158 WeakPolarHBondContact CD-OE2 3.4Å; R155-E158 IonicContact CZ-OE2 2.97Å; R155-E158 IonicContact NE-OE2 3.33Å; R155-E158 IonicContact NH1-OE1 3.13Å; R155-E158 PolarHBondContact NH1-OE1 3.46Å; R155-E158 IonicContact NH1-OE2 3.49Å; R155-E158 PolarHBondContact NH1-OE2 3.49Å; R155-K159 WeakPolarHBondContact O-CG 3.32Å; R155-A402 HydrophobicContact CB-CB 4.16Å
156	Y	97.3	Very high	96.7	Very high	28 Å²	28	41.9 Å²	41.9	11%	0.11	19%	0.194	C	C	.	.	H	α-helix	trans	-74.1	-45.1	174.8	-77.2	-75.3	0	0	0	110.6	R153 L154 E158 K159 L160 E273 D274 I388 A402	R153-Y156 HydrophobicContact CB-CD2 3.71Å; R153-Y156 HydrophobicContact CG-CD2 4.36Å; R153-Y156 PolarHBondContact O-N 3.08Å; L154-Y156 VanDerWaalsContact C-N 3.29Å; L154-Y156 PolarHBondContact O-N 3.49Å; Y156-E158 VanDerWaalsContact C-N 3.27Å; Y156-E158 PolarHBondContact O-N 3.13Å; Y156-K159 WeakPolarHBondContact O-CB 3.42Å; Y156-K159 PolarHBondContact O-N 2.89Å; Y156-L160 PolarHBondContact O-N 3.45Å; Y156-E273 CarbonylContact C-O 3.38Å; Y156-E273 WeakPolarHBondContact CB-O 3.44Å; Y156-E273 VanDerWaalsContact O-O 3.13Å; Y156-D274 HydrophobicContact CD1-CB 3.72Å; Y156-D274 HydrophobicContact CE1-CB 4.38Å; Y156-D274 HydrophobicContact CG-CB 3.95Å; Y156-I388 HydrophobicContact CD1-CD1 3.78Å; Y156-I388 HydrophobicContact CD1-CG1 3.84Å; Y156-I388 HydrophobicContact CE1-CD1 4.36Å; Y156-I388 HydrophobicContact CE1-CG1 4.21Å; Y156-I388 VanDerWaalsContact CE1-O 3.29Å; Y156-I388 WeakPolarHBondContact CE1-O 3.26Å; Y156-A402 HydrophobicContact CD1-CB 3.63Å; Y156-A402 HydrophobicContact CD2-CB 4.22Å; Y156-A402 HydrophobicContact CE1-CB 3.58Å; Y156-A402 HydrophobicContact CE2-CB 4.21Å; Y156-A402 HydrophobicContact CG-CB 3.96Å
157	L	98.2	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-40.7	176.3	-172.2	64.8	0	0	0	112.1	V148 V150 R153 L154 K159 L160 V161 F177 L186 F189 I190 E273	V148-L157 HydrophobicContact CG1-CD1 4.05Å; V150-L157 HydrophobicContact CG1-CD2 4.02Å; V150-L157 HydrophobicContact CG2-CD1 4.06Å; V150-L157 HydrophobicContact CG2-CD2 4.37Å; R153-L157 PolarHBondContact O-N 3.35Å; L154-L157 WeakPolarHBondContact O-CB 3.4Å; L154-L157 PolarHBondContact O-N 3.11Å; L157-K159 VanDerWaalsContact C-N 3.3Å; L157-K159 PolarHBondContact O-N 3.49Å; L157-L160 PolarHBondContact O-N 3.29Å; L157-V161 HydrophobicContact CG-CG2 4.43Å; L157-V161 WeakPolarHBondContact O-CB 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.45Å; L157-V161 PolarHBondContact O-N 3.05Å; L157-F177 HydrophobicContact CD1-CD1 4.04Å; L157-F177 HydrophobicContact CD1-CE1 3.79Å; L157-L186 HydrophobicContact CD2-CD2 3.6Å; L157-F189 HydrophobicContact CD2-CD1 4.04Å; L157-F189 HydrophobicContact CD2-CE1 4.15Å; L157-F189 HydrophobicContact CG-CD1 4.41Å; L157-F189 HydrophobicContact CG-CE1 4.03Å; L157-I190 HydrophobicContact CD2-CD1 4.17Å; L157-I190 HydrophobicContact CD2-CG1 4.22Å; L157-E273 HydrophobicContact CB-CB 4.28Å; L157-E273 HydrophobicContact CD1-CB 4.05Å; L157-E273 PolarHBondContact N-O 2.97Å
158	E	98.3	Very high	96.7	Very high	34 Å²	34	44.8 Å²	44.8	16%	0.159	21%	0.213	C	C	.	.	H	α-helix	trans	-55.1	-44.1	173.7	-77.1	175.4	165.4	0	0	111.6	L154 R155 Y156 V161 Q162 F189	L154-E158 HydrophobicContact CD1-CG 4.16Å; L154-E158 HydrophobicContact CG-CG 4.36Å; L154-E158 WeakPolarHBondContact O-CG 3.27Å; L154-E158 PolarHBondContact O-N 3.33Å; R155-E158 WeakPolarHBondContact CD-OE2 3.4Å; R155-E158 IonicContact CZ-OE2 2.97Å; R155-E158 IonicContact NE-OE2 3.33Å; R155-E158 IonicContact NH1-OE1 3.13Å; R155-E158 PolarHBondContact NH1-OE1 3.46Å; R155-E158 IonicContact NH1-OE2 3.49Å; R155-E158 PolarHBondContact NH1-OE2 3.49Å; Y156-E158 VanDerWaalsContact C-N 3.27Å; Y156-E158 PolarHBondContact O-N 3.13Å; E158-V161 PolarHBondContact O-N 2.86Å; E158-Q162 WeakPolarHBondContact O-CB 3.38Å; E158-Q162 WeakPolarHBondContact O-CG 3.46Å; E158-Q162 PolarHBondContact O-N 3.19Å; E158-F189 HydrophobicContact CB-CZ 4.3Å; E158-F189 HydrophobicContact CG-CD2 4.33Å; E158-F189 HydrophobicContact CG-CE1 4.3Å; E158-F189 HydrophobicContact CG-CE2 3.84Å; E158-F189 HydrophobicContact CG-CZ 3.82Å
159	K	98	Very high	96.6	Very high	24 Å²	24	46.6 Å²	46.6	10%	0.104	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-39.6	178.7	-59.5	-58.1	168.4	-174.6	0	112.3	R155 Y156 L157 S163 Y276 I388 A402 D403 A406	R155-K159 WeakPolarHBondContact O-CG 3.32Å; Y156-K159 WeakPolarHBondContact O-CB 3.42Å; Y156-K159 PolarHBondContact O-N 2.89Å; L157-K159 VanDerWaalsContact C-N 3.3Å; L157-K159 PolarHBondContact O-N 3.49Å; K159-S163 WeakPolarHBondContact O-CB 3.37Å; K159-S163 PolarHBondContact O-N 2.91Å; K159-S163 PolarHBondContact O-OG 3.47Å; K159-Y276 HydrophobicContact CB-CD2 4.4Å; K159-I388 HydrophobicContact CB-CD1 3.73Å; K159-I388 HydrophobicContact CG-CD1 4.26Å; K159-A402 HydrophobicContact CG-CB 4.36Å; K159-D403 WeakPolarHBondContact CE-OD1 3.49Å; K159-D403 IonicContact NZ-OD1 2.71Å; K159-D403 PolarHBondContact NZ-OD1 2.91Å; K159-A406 HydrophobicContact CB-CB 4.13Å; K159-A406 HydrophobicContact CD-CB 3.95Å; K159-A406 HydrophobicContact CG-CB 3.93Å
160	L	98.7	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-51.6	173.4	177	55.4	0	0	0	110.8	V148 Y156 L157 Q162 S163 L164 L271 E272 H275 V277	V148-L160 HydrophobicContact CB-CD2 4.45Å; V148-L160 HydrophobicContact CG1-CD2 3.55Å; V148-L160 HydrophobicContact CG2-CD2 3.98Å; Y156-L160 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.29Å; L160-Q162 PolarHBondContact O-N 3.16Å; L160-S163 PolarHBondContact O-N 2.9Å; L160-S163 VanDerWaalsContact O-N 3.1Å; L160-S163 PolarHBondContact O-OG 3.46Å; L160-L164 HydrophobicContact CD1-CD1 3.99Å; L160-L164 HydrophobicContact CD1-CG 4.14Å; L160-L164 HydrophobicContact CG-CD1 3.94Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 2.83Å; L160-L271 HydrophobicContact CD1-CD1 4.15Å; L160-E272 WeakPolarHBondContact CD2-O 3.35Å; L160-H275 WeakPolarHBondContact CA-O 2.97Å; L160-H275 VanDerWaalsContact CB-O 3.27Å; L160-H275 WeakPolarHBondContact CB-O 3.03Å; L160-H275 HydrophobicContact CD1-CB 4.3Å; L160-H275 WeakPolarHBondContact CD1-O 3.28Å; L160-V277 HydrophobicContact CD1-CG1 4.1Å
161	V	98.7	Very high	96.9	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-43	-179.3	169.4	0	0	0	0	111.4	L157 E158 S163 L164 Q165 F177 F189 I193 F195	L157-V161 HydrophobicContact CG-CG2 4.43Å; L157-V161 WeakPolarHBondContact O-CB 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.45Å; L157-V161 PolarHBondContact O-N 3.05Å; E158-V161 PolarHBondContact O-N 2.86Å; V161-S163 VanDerWaalsContact C-N 3.33Å; V161-S163 PolarHBondContact O-N 3.04Å; V161-L164 PolarHBondContact O-N 3.24Å; V161-Q165 WeakPolarHBondContact O-CB 3.5Å; V161-Q165 PolarHBondContact O-N 2.85Å; V161-F177 HydrophobicContact CG2-CE1 4.06Å; V161-F177 HydrophobicContact CG2-CZ 3.93Å; V161-F189 HydrophobicContact CB-CE1 4.17Å; V161-F189 HydrophobicContact CB-CZ 3.87Å; V161-F189 HydrophobicContact CG1-CE1 4.42Å; V161-F189 HydrophobicContact CG1-CZ 3.88Å; V161-F189 HydrophobicContact CG2-CE1 3.82Å; V161-F189 HydrophobicContact CG2-CZ 4.05Å; V161-I193 HydrophobicContact CG1-CD1 3.8Å; V161-I193 HydrophobicContact CG1-CG1 3.96Å; V161-I193 HydrophobicContact CG2-CD1 3.89Å; V161-F195 HydrophobicContact CG1-CE1 3.87Å; V161-F195 HydrophobicContact CG1-CZ 3.85Å
162	Q	98.4	Very high	97	Very high	91 Å²	91	49 Å²	49	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-58	-45.2	173	-75.3	167.9	8.6	0	0	111.5	E158 L160 L164 Q165 L166	E158-Q162 WeakPolarHBondContact O-CB 3.38Å; E158-Q162 WeakPolarHBondContact O-CG 3.46Å; E158-Q162 PolarHBondContact O-N 3.19Å; L160-Q162 PolarHBondContact O-N 3.16Å; Q162-L164 PolarHBondContact O-N 2.97Å; Q162-Q165 PolarHBondContact O-N 3.37Å; Q162-L166 WeakPolarHBondContact O-CG 3.35Å; Q162-L166 PolarHBondContact O-N 2.82Å
163	S	98.6	Very high	97.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-36.4	178.9	74.3	0	0	0	0	113.2	K159 L160 V161 L166 Y276 V277	K159-S163 WeakPolarHBondContact O-CB 3.37Å; K159-S163 PolarHBondContact O-N 2.91Å; K159-S163 PolarHBondContact O-OG 3.47Å; L160-S163 PolarHBondContact O-N 2.9Å; L160-S163 VanDerWaalsContact O-N 3.1Å; L160-S163 PolarHBondContact O-OG 3.46Å; V161-S163 VanDerWaalsContact C-N 3.33Å; V161-S163 PolarHBondContact O-N 3.04Å; S163-L166 PolarHBondContact O-N 2.88Å; S163-Y276 VanDerWaalsContact CB-CZ 3.41Å; S163-V277 WeakPolarHBondContact CB-O 3.45Å; S163-V277 WeakPolarHBondContact OG-CG2 3.41Å; S163-V277 PolarHBondContact OG-N 2.79Å
164	L	98.6	Very high	97.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-41.5	174.4	-75.1	166.5	0	0	0	111.7	L160 V161 Q162 L166 N167 I170 L175 V277 F281	L160-L164 HydrophobicContact CD1-CD1 3.99Å; L160-L164 HydrophobicContact CD1-CG 4.14Å; L160-L164 HydrophobicContact CG-CD1 3.94Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 2.83Å; V161-L164 PolarHBondContact O-N 3.24Å; Q162-L164 PolarHBondContact O-N 2.97Å; L164-L166 PolarHBondContact O-N 2.63Å; L164-N167 VanDerWaalsContact O-CB 3.22Å; L164-N167 WeakPolarHBondContact O-CB 3.46Å; L164-N167 PolarHBondContact O-N 3.33Å; L164-I170 HydrophobicContact CB-CD1 4Å; L164-I170 HydrophobicContact CD2-CD1 4.16Å; L164-I170 WeakPolarHBondContact O-CG1 3.36Å; L164-L175 HydrophobicContact CD1-CD1 4.05Å; L164-L175 HydrophobicContact CD1-CD2 4.06Å; L164-V277 HydrophobicContact CD2-CG1 4.49Å; L164-V277 HydrophobicContact CD2-CG2 3.81Å; L164-V277 HydrophobicContact CG-CG2 4.04Å; L164-F281 HydrophobicContact CD2-CD1 4.49Å; L164-F281 HydrophobicContact CD2-CE1 4.31Å
165	Q	98.1	Very high	97.4	Very high	112 Å²	112	39.2 Å²	39.2	52%	0.523	19%	0.186	S	C	.	.	H	α-helix	trans	-59.9	-31.6	178.4	-173.6	174.6	15.1	0	0	112.7	V161 Q162 N167 F195	V161-Q165 WeakPolarHBondContact O-CB 3.5Å; V161-Q165 PolarHBondContact O-N 2.85Å; Q162-Q165 PolarHBondContact O-N 3.37Å; Q165-N167 PolarHBondContact O-N 2.78Å; Q165-F195 HydrophobicContact CB-CD1 3.8Å; Q165-F195 HydrophobicContact CB-CE1 3.58Å; Q165-F195 HydrophobicContact CB-CE2 4.45Å; Q165-F195 HydrophobicContact CB-CG 4.3Å; Q165-F195 HydrophobicContact CB-CZ 3.93Å; Q165-F195 HydrophobicContact CG-CB 4.41Å; Q165-F195 HydrophobicContact CG-CD1 3.49Å; Q165-F195 VanDerWaalsContact CG-CD1 3.49Å; Q165-F195 HydrophobicContact CG-CE1 3.81Å; Q165-F195 HydrophobicContact CG-CG 3.96Å
166	L	96.7	Very high	97.4	Very high	113 Å²	113	31.7 Å²	31.7	59%	0.592	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.6	177	-64.7	173.7	0	0	0	113.4	Q162 S163 L164	Q162-L166 WeakPolarHBondContact O-CG 3.35Å; Q162-L166 PolarHBondContact O-N 2.82Å; S163-L166 PolarHBondContact O-N 2.88Å; L164-L166 PolarHBondContact O-N 2.63Å
167	N	97.4	Very high	97.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.152	C	C	.	.			trans	-81.7	124.3	-179.6	-157.9	-68.5	0	0	0	111.1	L164 Q165 L169 I170 P279 F281 L282	L164-N167 VanDerWaalsContact O-CB 3.22Å; L164-N167 WeakPolarHBondContact O-CB 3.46Å; L164-N167 PolarHBondContact O-N 3.33Å; Q165-N167 PolarHBondContact O-N 2.78Å; N167-L169 PolarHBondContact O-N 2.83Å; N167-L169 PolarHBondContact OD1-N 3.09Å; N167-I170 HydrophobicContact CB-CB 4.3Å; N167-I170 WeakPolarHBondContact O-CB 3.4Å; N167-I170 VanDerWaalsContact O-CG2 3.27Å; N167-I170 WeakPolarHBondContact O-CG2 3.37Å; N167-I170 PolarHBondContact O-N 2.79Å; N167-I170 VanDerWaalsContact O-N 3.09Å; N167-P279 PolarHBondContact ND2-O 2.81Å; N167-F281 PolarHBondContact ND2-N 2.74Å; N167-L282 HydrophobicContact CB-CD1 4.33Å; N167-L282 PolarHBondContact ND2-N 3.47Å; N167-L282 WeakPolarHBondContact OD1-CB 3.39Å
168	P	95.8	Very high	97.2	Very high	80 Å²	80	31 Å²	31	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.6	-176	26.4	-34.6	0	0	0	114.2	P279 F421	P168-P279 WeakPolarHBondContact CD-O 3.23Å; P168-F421 HydrophobicContact CG-CE1 4.04Å; P168-F421 HydrophobicContact CG-CZ 4.3Å
169	L	96.7	Very high	96.9	Very high	37 Å²	37	29.4 Å²	29.4	19%	0.194	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	9.6	178.2	-57.6	179.3	0	0	0	113	N167 N171 W172 L282	N167-L169 PolarHBondContact O-N 2.83Å; N167-L169 PolarHBondContact OD1-N 3.09Å; L169-N171 PolarHBondContact O-N 3Å; L169-W172 WeakPolarHBondContact O-CB 3.13Å; L169-W172 PolarHBondContact O-N 2.85Å; L169-L282 HydrophobicContact CB-CB 4.01Å; L169-L282 HydrophobicContact CB-CD1 4.04Å; L169-L282 HydrophobicContact CD1-CB 4.32Å
170	I	97.5	Very high	96.4	Very high	11 Å²	11	28.9 Å²	28.9	6%	0.056	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-62.4	-29.8	-171.9	-166.4	58.2	0	0	0	113.5	L164 N167 W172 V173 F195 C196 L282	L164-I170 HydrophobicContact CB-CD1 4Å; L164-I170 HydrophobicContact CD2-CD1 4.16Å; L164-I170 WeakPolarHBondContact O-CG1 3.36Å; N167-I170 HydrophobicContact CB-CB 4.3Å; N167-I170 WeakPolarHBondContact O-CB 3.4Å; N167-I170 VanDerWaalsContact O-CG2 3.27Å; N167-I170 WeakPolarHBondContact O-CG2 3.37Å; N167-I170 PolarHBondContact O-N 2.79Å; N167-I170 VanDerWaalsContact O-N 3.09Å; I170-W172 PolarHBondContact O-N 3.45Å; I170-W172 VanDerWaalsContact O-N 3.15Å; I170-V173 HydrophobicContact CD1-CB 4.43Å; I170-V173 HydrophobicContact CD1-CG2 4.4Å; I170-V173 WeakPolarHBondContact O-CB 3.49Å; I170-V173 PolarHBondContact O-N 2.86Å; I170-V173 VanDerWaalsContact O-N 3.14Å; I170-F195 HydrophobicContact CB-CD2 4.4Å; I170-F195 HydrophobicContact CD1-CE2 4.24Å; I170-F195 HydrophobicContact CG1-CD2 3.51Å; I170-F195 HydrophobicContact CG1-CE2 3.51Å; I170-F195 HydrophobicContact CG2-CD2 3.94Å; I170-C196 HydrophobicContact CG1-CB 4.28Å; I170-C196 WeakPolarHBondContact O-CB 3.24Å; I170-L282 HydrophobicContact CD1-CD1 4.2Å
171	N	96.4	Very high	96	Very high	54 Å²	54	33 Å²	33	29%	0.289	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-65.3	-14	176.8	63.4	-29.8	0	0	0	113.8	F136 L169 V173 R197	F136-N171 HydrophobicContact CD1-CB 3.95Å; F136-N171 HydrophobicContact CE1-CB 3.77Å; L169-N171 PolarHBondContact O-N 3Å; N171-V173 VanDerWaalsContact C-N 3.32Å; N171-R197 PolarHBondContact O-NH1 3.15Å; N171-R197 VanDerWaalsContact O-NH1 3.13Å
172	W	95.3	Very high	95.7	Very high	69 Å²	69	33.3 Å²	33.3	26%	0.261	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-87.7	-3.7	177.7	-66.9	20.4	0	0	0	113	A142 H143 L169 I170	A142-W172 WeakPolarHBondContact CA-O 3.22Å; H143-W172 HydrophobicContact CB-CB 4.28Å; H143-W172 HydrophobicContact CB-CE3 4.19Å; H143-W172 AromaticContact CE1-CE3 3.85Å; H143-W172 AromaticContact CE1-CZ3 3.77Å; H143-W172 AromaticContact CG-CE3 3.69Å; H143-W172 PolarHBondContact N-O 3.03Å; H143-W172 AromaticContact ND1-CE3 3.55Å; H143-W172 AromaticContact ND1-CZ3 3.71Å; L169-W172 WeakPolarHBondContact O-CB 3.13Å; L169-W172 PolarHBondContact O-N 2.85Å; I170-W172 PolarHBondContact O-N 3.45Å; I170-W172 VanDerWaalsContact O-N 3.15Å
173	V	96.6	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144	-174.2	176	0	0	0	0	111	Y144 V146 I170 N171 L175 L282	Y144-V173 HydrophobicContact CD2-CG2 4.3Å; Y144-V173 WeakPolarHBondContact O-CA 3.43Å; V146-V173 HydrophobicContact CB-CG1 3.85Å; V146-V173 HydrophobicContact CG2-CG1 3.58Å; V146-V173 HydrophobicContact CG2-CG2 4.42Å; I170-V173 HydrophobicContact CD1-CB 4.43Å; I170-V173 HydrophobicContact CD1-CG2 4.4Å; I170-V173 WeakPolarHBondContact O-CB 3.49Å; I170-V173 PolarHBondContact O-N 2.86Å; I170-V173 VanDerWaalsContact O-N 3.14Å; N171-V173 VanDerWaalsContact C-N 3.32Å; V173-L175 HydrophobicContact CG1-CB 4.3Å; V173-L282 HydrophobicContact CG2-CD1 3.5Å; V173-L282 HydrophobicContact CG2-CD2 3.84Å; V173-L282 HydrophobicContact CG2-CG 4.34Å
174	L	96.6	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111.6	151.8	173.2	64.2	0	0	0	107.9	I130 A139 A142 Y144 V145 V146 I176 R197 M199 L261	I130-L174 HydrophobicContact CD1-CD1 4.22Å; I130-L174 HydrophobicContact CD1-CD2 4.44Å; I130-L174 HydrophobicContact CG2-CD1 3.75Å; A139-L174 HydrophobicContact CB-CD2 4.25Å; A142-L174 HydrophobicContact CB-CB 3.74Å; Y144-L174 PolarHBondContact O-N 3.22Å; V145-L174 WeakPolarHBondContact CA-O 3.26Å; V145-L174 HydrophobicContact CG2-CB 4.4Å; V145-L174 HydrophobicContact CG2-CD2 4.38Å; V146-L174 PolarHBondContact N-O 2.95Å; L174-I176 HydrophobicContact CD2-CD1 3.86Å; L174-I176 HydrophobicContact CD2-CG1 4.14Å; L174-I176 HydrophobicContact CG-CD1 4.12Å; L174-I176 HydrophobicContact CG-CG1 3.84Å; L174-R197 HydrophobicContact CD1-CB 3.91Å; L174-M199 HydrophobicContact CD1-CB 4.23Å; L174-L261 HydrophobicContact CD2-CD2 3.91Å
175	L	97.8	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.6	-179.9	-174.9	60.5	0	0	0	109.3	V146 V148 L164 V173 F177 R197 V198 M199	V146-L175 HydrophobicContact CB-CD1 3.87Å; V146-L175 HydrophobicContact CG1-CD1 3.76Å; V148-L175 HydrophobicContact CG2-CD1 3.8Å; L164-L175 HydrophobicContact CD1-CD1 4.05Å; L164-L175 HydrophobicContact CD1-CD2 4.06Å; V173-L175 HydrophobicContact CG1-CB 4.3Å; L175-F177 HydrophobicContact CD2-CE1 4.46Å; L175-F177 HydrophobicContact CD2-CE2 3.73Å; L175-F177 HydrophobicContact CD2-CZ 3.49Å; L175-F177 VanDerWaalsContact CD2-CZ 3.49Å; L175-F177 HydrophobicContact CG-CD2 4.47Å; L175-F177 HydrophobicContact CG-CE2 3.73Å; L175-F177 HydrophobicContact CG-CZ 3.79Å; L175-R197 PolarHBondContact N-O 3.47Å; L175-V198 CarbonylContact O-C 3.54Å; L175-V198 WeakPolarHBondContact O-CA 3.34Å; L175-M199 PolarHBondContact O-N 2.89Å
176	I	96.4	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.5	-175.5	-50.7	-174.3	0	0	0	108.7	V145 V146 V147 V148 L174 M199 I201 I258 L261	V145-I176 HydrophobicContact CG1-CD1 3.58Å; V145-I176 HydrophobicContact CG1-CG1 4.11Å; V146-I176 PolarHBondContact O-N 2.97Å; V147-I176 CarbonylContact C-O 3.27Å; V147-I176 WeakPolarHBondContact CA-O 3.44Å; V147-I176 HydrophobicContact CG2-CB 4.26Å; V147-I176 HydrophobicContact CG2-CD1 4.44Å; V148-I176 PolarHBondContact N-O 2.95Å; L174-I176 HydrophobicContact CD2-CD1 3.86Å; L174-I176 HydrophobicContact CD2-CG1 4.14Å; L174-I176 HydrophobicContact CG-CD1 4.12Å; L174-I176 HydrophobicContact CG-CG1 3.84Å; I176-M199 CarbonylContact C-O 3.47Å; I176-M199 WeakPolarHBondContact CA-O 3.47Å; I176-M199 HydrophobicContact CD1-SD 4.39Å; I176-M199 HydrophobicContact CG1-CB 4.22Å; I176-M199 HydrophobicContact CG2-CB 4.43Å; I176-I201 HydrophobicContact CG2-CD1 4.1Å; I176-I201 HydrophobicContact CG2-CG1 4.19Å; I176-I258 HydrophobicContact CD1-CD1 3.71Å; I176-I258 HydrophobicContact CG2-CD1 4Å; I176-L261 HydrophobicContact CD1-CD1 3.58Å
177	F	96.5	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.4	172	-62.6	-85.3	0	0	0	108.7	V148 V150 L157 V161 L175 H179 I190 I193 V198 M199 Q200 I201	V148-F177 HydrophobicContact CB-CD1 3.9Å; V148-F177 HydrophobicContact CB-CE1 4.23Å; V148-F177 HydrophobicContact CG1-CD1 4.17Å; V148-F177 HydrophobicContact CG1-CE1 4.39Å; V148-F177 HydrophobicContact CG2-CD1 4.35Å; V148-F177 HydrophobicContact CG2-CE1 4.22Å; V150-F177 HydrophobicContact CG2-CB 3.98Å; V150-F177 HydrophobicContact CG2-CD1 3.72Å; V150-F177 HydrophobicContact CG2-CG 4.35Å; L157-F177 HydrophobicContact CD1-CD1 4.04Å; L157-F177 HydrophobicContact CD1-CE1 3.79Å; V161-F177 HydrophobicContact CG2-CE1 4.06Å; V161-F177 HydrophobicContact CG2-CZ 3.93Å; L175-F177 HydrophobicContact CD2-CE1 4.46Å; L175-F177 HydrophobicContact CD2-CE2 3.73Å; L175-F177 HydrophobicContact CD2-CZ 3.49Å; L175-F177 VanDerWaalsContact CD2-CZ 3.49Å; L175-F177 HydrophobicContact CG-CD2 4.47Å; L175-F177 HydrophobicContact CG-CE2 3.73Å; L175-F177 HydrophobicContact CG-CZ 3.79Å; F177-H179 PolarHBondContact O-CD2 2.85Å; F177-I190 HydrophobicContact CB-CD1 3.76Å; F177-I190 HydrophobicContact CD1-CD1 3.99Å; F177-I190 HydrophobicContact CD1-CG1 4.21Å; F177-I190 HydrophobicContact CD2-CB 4.4Å; F177-I190 HydrophobicContact CD2-CD1 4.17Å; F177-I190 HydrophobicContact CD2-CG1 4.09Å; F177-I190 HydrophobicContact CD2-CG2 3.41Å; F177-I190 VanDerWaalsContact CD2-CG2 3.41Å; F177-I190 HydrophobicContact CE1-CG1 4.4Å; F177-I190 HydrophobicContact CE2-CG1 4.28Å; F177-I190 HydrophobicContact CE2-CG2 3.71Å; F177-I190 HydrophobicContact CG-CD1 3.7Å; F177-I190 HydrophobicContact CG-CG1 4.03Å; F177-I190 HydrophobicContact CG-CG2 4.09Å; F177-I190 HydrophobicContact CZ-CG1 4.42Å; F177-I193 HydrophobicContact CE2-CD1 3.7Å; F177-I193 HydrophobicContact CZ-CD1 3.53Å; F177-V198 HydrophobicContact CD2-CG1 3.93Å; F177-V198 HydrophobicContact CE2-CG1 3.8Å; F177-M199 PolarHBondContact N-O 3.49Å; F177-Q200 HydrophobicContact CB-CG 4.35Å; F177-Q200 WeakPolarHBondContact O-CA 3.42Å; F177-I201 PolarHBondContact O-N 3.1Å
178	S	93.6	Very high	95.1	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	101.3	178.3	-179.5	0	0	0	0	109.4	V148 V150	V148-S178 PolarHBondContact O-N 3.36Å; V150-S178 PolarHBondContact N-O 2.81Å
179	H	91.9	Very high	95.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.1	-175	-66.3	-98.4	0	0	0	111.8	F177 I190 Q200 I201 F202 Y203	F177-H179 PolarHBondContact O-CD2 2.85Å; H179-I190 WeakPolarHBondContact CE1-CD1 3.49Å; H179-I190 WeakPolarHBondContact NE2-CD1 3.49Å; H179-Q200 PolarHBondContact NE2-OE1 2.89Å; H179-I201 PolarHBondContact CD2-O 3.03Å; H179-I201 PolarHBondContact N-O 3.24Å; H179-F202 HydrophobicContact CB-CD1 3.4Å; H179-F202 VanDerWaalsContact CB-CD1 3.4Å; H179-F202 HydrophobicContact CB-CE1 3.69Å; H179-F202 HydrophobicContact CB-CG 4.15Å; H179-F202 AromaticContact CD2-CE1 3.89Å; H179-F202 AromaticContact CG-CD1 3.86Å; H179-F202 AromaticContact CG-CE1 3.6Å; H179-F202 CarbonylContact O-C 3.58Å; H179-Y203 PolarHBondContact O-N 2.82Å
180	D	88.6	Confident	95.3	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.064	16%	0.162	C	C	.	.	S	Bend	trans	-96.8	-4.3	163	76.3	-2.4	0	0	0	113	V150 H151 S206 Y253	V150-D180 PolarHBondContact O-N 2.79Å; V150-D180 VanDerWaalsContact O-N 3.08Å; H151-D180 WeakPolarHBondContact CA-OD1 3.16Å; H151-D180 IonicContact CE1-OD2 2.92Å; H151-D180 PolarHBondContact CE1-OD2 3.11Å; H151-D180 IonicContact CG-OD2 3.86Å; H151-D180 VanDerWaalsContact ND1-CG 3.32Å; H151-D180 IonicContact ND1-OD1 2.72Å; H151-D180 PolarHBondContact ND1-OD1 2.79Å; H151-D180 IonicContact ND1-OD2 3.11Å; H151-D180 PolarHBondContact ND1-OD2 3.09Å; D180-S206 WeakPolarHBondContact O-CB 3.46Å; D180-Y253 HydrophobicContact CB-CD1 3.72Å; D180-Y253 HydrophobicContact CB-CE1 3.68Å; D180-Y253 HydrophobicContact CB-CG 4.2Å; D180-Y253 WeakPolarHBondContact OD2-CE2 3.44Å
181	Y	89.5	Confident	95.3	Very high	86 Å²	86	38.6 Å²	38.6	34%	0.337	18%	0.181	S	C	.	.	S	Bend	trans	-141.8	133.1	-178.1	-174.6	-96.2	0	0	0	111	N152 Q208	N152-Y181 HydrophobicContact CB-CD1 3.72Å; N152-Y181 HydrophobicContact CB-CE1 4.09Å; N152-Y181 HydrophobicContact CB-CG 4.11Å; Y181-Q208 HydrophobicContact CE2-CG 4.42Å
182	F	92.3	Very high	95.4	Very high	14 Å²	14	39.5 Å²	39.5	6%	0.061	19%	0.191	C	C	.	.			trans	-88.7	126.7	174.3	-178.6	-86.4	0	0	0	110.8	P112 I117 I120 V121 V184 N187 F202 Q208	P112-F182 HydrophobicContact CG-CE1 4.07Å; I117-F182 HydrophobicContact CD1-CD1 4.11Å; I117-F182 HydrophobicContact CG1-CD1 3.91Å; I117-F182 HydrophobicContact CG1-CE1 4.23Å; I117-F182 HydrophobicContact CG1-CG 4.45Å; I117-F182 HydrophobicContact CG2-CB 3.47Å; I117-F182 VanDerWaalsContact CG2-CB 3.47Å; I117-F182 HydrophobicContact CG2-CD1 3.87Å; I117-F182 HydrophobicContact CG2-CD2 4.02Å; I117-F182 HydrophobicContact CG2-CG 3.53Å; I120-F182 HydrophobicContact CB-CE2 4.24Å; I120-F182 HydrophobicContact CD1-CE2 4.43Å; I120-F182 HydrophobicContact CD1-CZ 3.96Å; I120-F182 HydrophobicContact CG2-CE2 3.59Å; I120-F182 HydrophobicContact CG2-CZ 4.13Å; V121-F182 HydrophobicContact CG2-CD2 4.33Å; F182-V184 HydrophobicContact CE1-CG2 4.1Å; F182-N187 WeakPolarHBondContact CD2-ND2 3.47Å; F182-N187 WeakPolarHBondContact CE2-ND2 3.44Å; F182-N187 WeakPolarHBondContact CZ-ND2 3.4Å; F182-F202 HydrophobicContact CD2-CD1 4.28Å; F182-F202 AromaticContact CD2-CE1 3.79Å; F182-F202 HydrophobicContact CD2-CE1 3.79Å; F182-F202 HydrophobicContact CD2-CZ 4.23Å; F182-Q208 PolarHBondContact O-NE2 2.98Å; F182-Q208 PolarHBondContact O-OE1 3.27Å
183	S	93.9	Very high	95.5	Very high	25 Å²	25	36.5 Å²	36.5	18%	0.175	18%	0.181	C	C	.	.			trans	-140.9	131.5	171.9	166	0	0	0	0	109.7	E185 L186 N187	S183-E185 VanDerWaalsContact C-N 3.26Å; S183-E185 PolarHBondContact O-N 2.93Å; S183-E185 PolarHBondContact OG-N 3.34Å; S183-L186 PolarHBondContact O-N 3.15Å; S183-L186 PolarHBondContact OG-N 2.88Å; S183-N187 WeakPolarHBondContact O-CB 3.2Å; S183-N187 PolarHBondContact O-N 3.41Å; S183-N187 PolarHBondContact O-ND2 3.14Å; S183-N187 PolarHBondContact O-OD1 2.8Å
184	V	94.7	Very high	95.6	Very high	83 Å²	83	42.7 Å²	42.7	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-57.7	-43.2	175.9	177.8	0	0	0	0	110.5	F182 N187 Q188	F182-V184 HydrophobicContact CE1-CG2 4.1Å; V184-N187 PolarHBondContact O-N 3.35Å; V184-Q188 WeakPolarHBondContact O-CB 3.34Å; V184-Q188 PolarHBondContact O-N 3.23Å
185	E	96.2	Very high	95.6	Very high	131 Å²	131	44.2 Å²	44.2	61%	0.612	21%	0.214	S	C	*	.	H	α-helix	trans	-64.9	-46	-179.8	-62.9	178.5	-178.6	0	0	112.2	L154 S183 N187 Q188 F189	L154-E185 HydrophobicContact CD2-CB 4.27Å; S183-E185 VanDerWaalsContact C-N 3.26Å; S183-E185 PolarHBondContact O-N 2.93Å; S183-E185 PolarHBondContact OG-N 3.34Å; E185-N187 VanDerWaalsContact C-N 3.33Å; E185-N187 PolarHBondContact O-N 3.39Å; E185-Q188 PolarHBondContact O-N 3.06Å; E185-F189 WeakPolarHBondContact O-CB 3.1Å; E185-F189 PolarHBondContact O-N 3.25Å
186	L	96.7	Very high	95.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-45	176.2	-79.1	169.9	0	0	0	111.1	V150 H151 L154 L157 S183 F189 I190	V150-L186 HydrophobicContact CG1-CD1 4.13Å; V150-L186 HydrophobicContact CG1-CD2 4.17Å; H151-L186 WeakPolarHBondContact O-CD1 3.5Å; L154-L186 HydrophobicContact CB-CD2 3.96Å; L154-L186 HydrophobicContact CD1-CD2 3.85Å; L157-L186 HydrophobicContact CD2-CD2 3.6Å; S183-L186 PolarHBondContact O-N 3.15Å; S183-L186 PolarHBondContact OG-N 2.88Å; L186-F189 PolarHBondContact O-N 3.37Å; L186-I190 WeakPolarHBondContact O-CG1 3.19Å; L186-I190 PolarHBondContact O-N 2.59Å
187	N	96.7	Very high	95.7	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-40.6	-178.2	-63.5	-12.1	0	0	0	111.5	F182 S183 V184 E185 I190 R191 Q200 F202	F182-N187 WeakPolarHBondContact CD2-ND2 3.47Å; F182-N187 WeakPolarHBondContact CE2-ND2 3.44Å; F182-N187 WeakPolarHBondContact CZ-ND2 3.4Å; S183-N187 WeakPolarHBondContact O-CB 3.2Å; S183-N187 PolarHBondContact O-N 3.41Å; S183-N187 PolarHBondContact O-ND2 3.14Å; S183-N187 PolarHBondContact O-OD1 2.8Å; V184-N187 PolarHBondContact O-N 3.35Å; E185-N187 VanDerWaalsContact C-N 3.33Å; E185-N187 PolarHBondContact O-N 3.39Å; N187-I190 PolarHBondContact O-N 3.45Å; N187-R191 WeakPolarHBondContact O-CB 2.94Å; N187-R191 VanDerWaalsContact O-CG 3.29Å; N187-R191 WeakPolarHBondContact O-CG 3.26Å; N187-R191 PolarHBondContact O-N 3.1Å; N187-Q200 PolarHBondContact OD1-OE1 2.68Å; N187-F202 WeakPolarHBondContact OD1-CZ 3.46Å
188	Q	97.3	Very high	95.8	Very high	139 Å²	139	44.8 Å²	44.8	65%	0.65	22%	0.216	S	C	*	.	H	α-helix	trans	-65.4	-43.1	176	-176.2	173.5	-3	0	0	111.1	V184 E185 R191 S192	V184-Q188 WeakPolarHBondContact O-CB 3.34Å; V184-Q188 PolarHBondContact O-N 3.23Å; E185-Q188 PolarHBondContact O-N 3.06Å; Q188-R191 PolarHBondContact O-N 3.4Å; Q188-S192 PolarHBondContact O-N 3.43Å; Q188-S192 VanDerWaalsContact O-N 3.16Å
189	F	98.5	Very high	95.8	Very high	42 Å²	42	44.2 Å²	44.2	18%	0.184	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-48.9	175	172.6	-109.1	0	0	0	111.6	L154 L157 E158 V161 E185 L186 R191 S192	L154-F189 HydrophobicContact CD1-CB 3.78Å; L154-F189 HydrophobicContact CD1-CD1 3.7Å; L154-F189 HydrophobicContact CD1-CD2 4.43Å; L154-F189 HydrophobicContact CD1-CE1 4.44Å; L154-F189 HydrophobicContact CD1-CG 3.69Å; L157-F189 HydrophobicContact CD2-CD1 4.04Å; L157-F189 HydrophobicContact CD2-CE1 4.15Å; L157-F189 HydrophobicContact CG-CD1 4.41Å; L157-F189 HydrophobicContact CG-CE1 4.03Å; E158-F189 HydrophobicContact CB-CZ 4.3Å; E158-F189 HydrophobicContact CG-CD2 4.33Å; E158-F189 HydrophobicContact CG-CE1 4.3Å; E158-F189 HydrophobicContact CG-CE2 3.84Å; E158-F189 HydrophobicContact CG-CZ 3.82Å; V161-F189 HydrophobicContact CB-CE1 4.17Å; V161-F189 HydrophobicContact CB-CZ 3.87Å; V161-F189 HydrophobicContact CG1-CE1 4.42Å; V161-F189 HydrophobicContact CG1-CZ 3.88Å; V161-F189 HydrophobicContact CG2-CE1 3.82Å; V161-F189 HydrophobicContact CG2-CZ 4.05Å; E185-F189 WeakPolarHBondContact O-CB 3.1Å; E185-F189 PolarHBondContact O-N 3.25Å; L186-F189 PolarHBondContact O-N 3.37Å; F189-R191 PolarHBondContact O-N 3.02Å; F189-S192 VanDerWaalsContact O-CB 3.32Å; F189-S192 WeakPolarHBondContact O-CB 3.44Å; F189-S192 PolarHBondContact O-N 3.39Å; F189-S192 VanDerWaalsContact O-N 3.08Å; F189-S192 PolarHBondContact O-OG 2.92Å
190	I	98.2	Very high	95.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-40	180	-69.1	162.2	0	0	0	111.8	L157 F177 H179 L186 N187 S192 I193 V198 Q200	L157-I190 HydrophobicContact CD2-CD1 4.17Å; L157-I190 HydrophobicContact CD2-CG1 4.22Å; F177-I190 HydrophobicContact CB-CD1 3.76Å; F177-I190 HydrophobicContact CD1-CD1 3.99Å; F177-I190 HydrophobicContact CD1-CG1 4.21Å; F177-I190 HydrophobicContact CD2-CB 4.4Å; F177-I190 HydrophobicContact CD2-CD1 4.17Å; F177-I190 HydrophobicContact CD2-CG1 4.09Å; F177-I190 HydrophobicContact CD2-CG2 3.41Å; F177-I190 VanDerWaalsContact CD2-CG2 3.41Å; F177-I190 HydrophobicContact CE1-CG1 4.4Å; F177-I190 HydrophobicContact CE2-CG1 4.28Å; F177-I190 HydrophobicContact CE2-CG2 3.71Å; F177-I190 HydrophobicContact CG-CD1 3.7Å; F177-I190 HydrophobicContact CG-CG1 4.03Å; F177-I190 HydrophobicContact CG-CG2 4.09Å; F177-I190 HydrophobicContact CZ-CG1 4.42Å; H179-I190 WeakPolarHBondContact CE1-CD1 3.49Å; H179-I190 WeakPolarHBondContact NE2-CD1 3.49Å; L186-I190 WeakPolarHBondContact O-CG1 3.19Å; L186-I190 PolarHBondContact O-N 2.59Å; N187-I190 PolarHBondContact O-N 3.45Å; I190-S192 PolarHBondContact O-N 2.95Å; I190-I193 WeakPolarHBondContact O-CB 3.29Å; I190-I193 WeakPolarHBondContact O-CG1 3.26Å; I190-I193 PolarHBondContact O-N 2.9Å; I190-I193 VanDerWaalsContact O-N 3.11Å; I190-V198 HydrophobicContact CG2-CG1 3.59Å; I190-Q200 HydrophobicContact CB-CG 4.33Å; I190-Q200 HydrophobicContact CD1-CG 4.36Å; I190-Q200 VanDerWaalsContact CG2-CD 3.46Å; I190-Q200 HydrophobicContact CG2-CG 3.51Å
191	R	97.6	Very high	96.1	Very high	121 Å²	121	45 Å²	45	46%	0.457	22%	0.216	S	C	.	.	H	α-helix	trans	-62	-24	175.3	-75.3	177.9	-179.3	-92.6	-0.9	113.2	E129 L131 N187 Q188 F189 I193 K194	E129-R191 IonicContact OE2-NH1 3.63Å; L131-R191 HydrophobicContact CD1-CB 4.4Å; L131-R191 HydrophobicContact CD1-CG 4.08Å; N187-R191 WeakPolarHBondContact O-CB 2.94Å; N187-R191 VanDerWaalsContact O-CG 3.29Å; N187-R191 WeakPolarHBondContact O-CG 3.26Å; N187-R191 PolarHBondContact O-N 3.1Å; Q188-R191 PolarHBondContact O-N 3.4Å; F189-R191 PolarHBondContact O-N 3.02Å; R191-I193 VanDerWaalsContact C-N 3.29Å; R191-I193 PolarHBondContact O-N 3.49Å; R191-K194 PolarHBondContact O-NZ 3.43Å; R191-K194 VanDerWaalsContact O-NZ 3.11Å
192	S	98.2	Very high	96.1	Very high	73 Å²	73	41.4 Å²	41.4	51%	0.51	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14	177.2	83.3	0	0	0	0	114	Q188 F189 I190 K194	Q188-S192 PolarHBondContact O-N 3.43Å; Q188-S192 VanDerWaalsContact O-N 3.16Å; F189-S192 VanDerWaalsContact O-CB 3.32Å; F189-S192 WeakPolarHBondContact O-CB 3.44Å; F189-S192 PolarHBondContact O-N 3.39Å; F189-S192 VanDerWaalsContact O-N 3.08Å; F189-S192 PolarHBondContact O-OG 2.92Å; I190-S192 PolarHBondContact O-N 2.95Å; S192-K194 PolarHBondContact O-N 3.34Å
193	I	98.6	Very high	95.8	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.036	20%	0.202	C	C	.	.			trans	-70.8	122.5	-179.4	-62	170.9	0	0	0	110.3	N132 V161 F177 I190 R191 F195 V198	N132-I193 PolarHBondContact ND2-O 2.82Å; V161-I193 HydrophobicContact CG1-CD1 3.8Å; V161-I193 HydrophobicContact CG1-CG1 3.96Å; V161-I193 HydrophobicContact CG2-CD1 3.89Å; F177-I193 HydrophobicContact CE2-CD1 3.7Å; F177-I193 HydrophobicContact CZ-CD1 3.53Å; I190-I193 WeakPolarHBondContact O-CB 3.29Å; I190-I193 WeakPolarHBondContact O-CG1 3.26Å; I190-I193 PolarHBondContact O-N 2.9Å; I190-I193 VanDerWaalsContact O-N 3.11Å; R191-I193 VanDerWaalsContact C-N 3.29Å; R191-I193 PolarHBondContact O-N 3.49Å; I193-F195 HydrophobicContact CG2-CD1 3.89Å; I193-F195 HydrophobicContact CG2-CD2 4.29Å; I193-F195 HydrophobicContact CG2-CE1 3.55Å; I193-F195 HydrophobicContact CG2-CE2 3.95Å; I193-F195 HydrophobicContact CG2-CG 4.27Å; I193-F195 HydrophobicContact CG2-CZ 3.59Å; I193-V198 HydrophobicContact CB-CG2 4Å; I193-V198 HydrophobicContact CG2-CG2 3.6Å
194	K	97.8	Very high	95.1	Very high	129 Å²	129	42.2 Å²	42.2	56%	0.561	21%	0.206	S	C	*	.			trans	-121.6	2.9	-177	-58.8	-54.5	176.9	-159.5	0	115.9	N132 F136 R191 S192	N132-K194 VanDerWaalsContact OD1-CD 3.27Å; N132-K194 WeakPolarHBondContact OD1-CD 3.26Å; N132-K194 PolarHBondContact OD1-NZ 2.91Å; F136-K194 WeakPolarHBondContact CE2-O 3.43Å; F136-K194 WeakPolarHBondContact CZ-O 3.48Å; R191-K194 PolarHBondContact O-NZ 3.43Å; R191-K194 VanDerWaalsContact O-NZ 3.11Å; S192-K194 PolarHBondContact O-N 3.34Å
195	F	97.6	Very high	94.5	Very high	32 Å²	32	40.8 Å²	40.8	14%	0.14	20%	0.196	C	C	.	.	S	Bend	trans	-92.9	-6.4	-173.5	57.1	-108.8	0	0	0	114.9	F136 V161 Q165 I170 I193	F136-F195 WeakPolarHBondContact CZ-O 3.42Å; V161-F195 HydrophobicContact CG1-CE1 3.87Å; V161-F195 HydrophobicContact CG1-CZ 3.85Å; Q165-F195 HydrophobicContact CB-CD1 3.8Å; Q165-F195 HydrophobicContact CB-CE1 3.58Å; Q165-F195 HydrophobicContact CB-CE2 4.45Å; Q165-F195 HydrophobicContact CB-CG 4.3Å; Q165-F195 HydrophobicContact CB-CZ 3.93Å; Q165-F195 HydrophobicContact CG-CB 4.41Å; Q165-F195 HydrophobicContact CG-CD1 3.49Å; Q165-F195 VanDerWaalsContact CG-CD1 3.49Å; Q165-F195 HydrophobicContact CG-CE1 3.81Å; Q165-F195 HydrophobicContact CG-CG 3.96Å; I170-F195 HydrophobicContact CB-CD2 4.4Å; I170-F195 HydrophobicContact CD1-CE2 4.24Å; I170-F195 HydrophobicContact CG1-CD2 3.51Å; I170-F195 HydrophobicContact CG1-CE2 3.51Å; I170-F195 HydrophobicContact CG2-CD2 3.94Å; I193-F195 HydrophobicContact CG2-CD1 3.89Å; I193-F195 HydrophobicContact CG2-CD2 4.29Å; I193-F195 HydrophobicContact CG2-CE1 3.55Å; I193-F195 HydrophobicContact CG2-CE2 3.95Å; I193-F195 HydrophobicContact CG2-CG 4.27Å; I193-F195 HydrophobicContact CG2-CZ 3.59Å
196	C	98.1	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-157.7	179.9	174.6	65	0	0	0	0	111.2	N132 F136 I170	N132-C196 PolarHBondContact ND2-O 3.12Å; F136-C196 VanDerWaalsContact CE2-CA 3.48Å; I170-C196 HydrophobicContact CG1-CB 4.28Å; I170-C196 WeakPolarHBondContact O-CB 3.24Å
197	R	97.5	Very high	93.3	Very high	12 Å²	12	37.3 Å²	37.3	5%	0.045	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.6	171.7	-60.3	172.8	-160	83	-8.2	109	I130 L131 F136 G137 P138 N171 L174 L175	I130-R197 HydrophobicContact CG2-CB 4.03Å; L131-R197 WeakPolarHBondContact O-CA 3.38Å; F136-R197 HydrophobicContact CB-CG 3.72Å; F136-R197 HydrophobicContact CD2-CG 4.48Å; F136-R197 HydrophobicContact CG-CG 4.46Å; F136-R197 VanDerWaalsContact O-CZ 3.29Å; F136-R197 PolarHBondContact O-NH2 3.36Å; G137-R197 WeakPolarHBondContact O-CD 3.48Å; G137-R197 PolarHBondContact O-NE 2.72Å; P138-R197 PolarHBondContact O-NE 2.91Å; N171-R197 PolarHBondContact O-NH1 3.15Å; N171-R197 VanDerWaalsContact O-NH1 3.13Å; L174-R197 HydrophobicContact CD1-CB 3.91Å; L175-R197 PolarHBondContact N-O 3.47Å
198	V	97.8	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.9	-175.1	173.9	0	0	0	0	110.3	I130 L131 L175 F177 I190 I193	I130-V198 CarbonylContact C-O 3.55Å; I130-V198 WeakPolarHBondContact CA-O 3.41Å; L131-V198 HydrophobicContact CB-CB 4.25Å; L131-V198 HydrophobicContact CD1-CB 4.46Å; L131-V198 HydrophobicContact CD1-CG1 4.3Å; L131-V198 PolarHBondContact N-O 2.8Å; L131-V198 PolarHBondContact O-N 3.5Å; L131-V198 VanDerWaalsContact O-N 3.17Å; L175-V198 CarbonylContact O-C 3.54Å; L175-V198 WeakPolarHBondContact O-CA 3.34Å; F177-V198 HydrophobicContact CD2-CG1 3.93Å; F177-V198 HydrophobicContact CE2-CG1 3.8Å; I190-V198 HydrophobicContact CG2-CG1 3.59Å; I193-V198 HydrophobicContact CB-CG2 4Å; I193-V198 HydrophobicContact CG2-CG2 3.6Å
199	M	95.1	Very high	92.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.8	174.8	-177.6	176	170.9	0	0	109.6	A128 I130 L174 L175 I176 F177 I201 I258	A128-M199 HydrophobicContact CB-CE 3.46Å; A128-M199 VanDerWaalsContact CB-CE 3.46Å; I130-M199 HydrophobicContact CD1-SD 4.29Å; I130-M199 HydrophobicContact CG1-CB 4.2Å; I130-M199 HydrophobicContact CG1-CG 4.24Å; I130-M199 HydrophobicContact CG1-SD 4.06Å; L174-M199 HydrophobicContact CD1-CB 4.23Å; L175-M199 PolarHBondContact O-N 2.89Å; I176-M199 CarbonylContact C-O 3.47Å; I176-M199 WeakPolarHBondContact CA-O 3.47Å; I176-M199 HydrophobicContact CD1-SD 4.39Å; I176-M199 HydrophobicContact CG1-CB 4.22Å; I176-M199 HydrophobicContact CG2-CB 4.43Å; F177-M199 PolarHBondContact N-O 3.49Å; M199-I201 HydrophobicContact CE-CG2 3.42Å; M199-I201 VanDerWaalsContact CE-CG2 3.42Å; M199-I201 HydrophobicContact CG-CG2 4.46Å; M199-I258 HydrophobicContact CE-CG2 3.4Å; M199-I258 HydrophobicContact SD-CG2 4.12Å
200	Q	94.1	Very high	91.6	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.033	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.6	170.6	-72.4	176	98.4	0	0	109.4	N124 F177 H179 N187 I190 F202	N124-Q200 PolarHBondContact ND2-O 3.47Å; F177-Q200 HydrophobicContact CB-CG 4.35Å; F177-Q200 WeakPolarHBondContact O-CA 3.42Å; H179-Q200 PolarHBondContact NE2-OE1 2.89Å; N187-Q200 PolarHBondContact OD1-OE1 2.68Å; I190-Q200 HydrophobicContact CB-CG 4.33Å; I190-Q200 HydrophobicContact CD1-CG 4.36Å; I190-Q200 VanDerWaalsContact CG2-CD 3.46Å; I190-Q200 HydrophobicContact CG2-CG 3.51Å; Q200-F202 HydrophobicContact CB-CE2 4.19Å
201	I	91.6	Very high	90.9	Very high	23 Å²	23	35 Å²	35	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.1	167.6	63.2	-179.2	0	0	0	108.8	N125 I176 F177 H179 M199 I258	N125-I201 WeakPolarHBondContact OD1-CA 3.27Å; I176-I201 HydrophobicContact CG2-CD1 4.1Å; I176-I201 HydrophobicContact CG2-CG1 4.19Å; F177-I201 PolarHBondContact O-N 3.1Å; H179-I201 PolarHBondContact CD2-O 3.03Å; H179-I201 PolarHBondContact N-O 3.24Å; M199-I201 HydrophobicContact CE-CG2 3.42Å; M199-I201 VanDerWaalsContact CE-CG2 3.42Å; M199-I201 HydrophobicContact CG-CG2 4.46Å; I201-I258 HydrophobicContact CD1-CD1 3.66Å; I201-I258 HydrophobicContact CD1-CG1 3.81Å; I201-I258 HydrophobicContact CG2-CD1 4.41Å; I201-I258 HydrophobicContact CG2-CG1 4.35Å
202	F	89.5	Confident	90.4	Very high	12 Å²	12	33.7 Å²	33.7	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.9	-178.6	-65.2	-92	0	0	0	109.9	V121 N124 N125 H179 F182 N187 Q200 P204	V121-F202 HydrophobicContact CB-CB 4.17Å; V121-F202 HydrophobicContact CG1-CB 3.67Å; V121-F202 HydrophobicContact CG2-CB 3.73Å; V121-F202 HydrophobicContact CG2-CD1 4.07Å; V121-F202 HydrophobicContact CG2-CD2 4.41Å; V121-F202 HydrophobicContact CG2-CG 3.82Å; N124-F202 HydrophobicContact CB-CD2 4.16Å; N124-F202 HydrophobicContact CB-CE2 4.14Å; N124-F202 WeakPolarHBondContact ND2-CD2 3.44Å; N125-F202 PolarHBondContact ND2-O 3.44Å; N125-F202 PolarHBondContact OD1-N 3.45Å; H179-F202 HydrophobicContact CB-CD1 3.4Å; H179-F202 VanDerWaalsContact CB-CD1 3.4Å; H179-F202 HydrophobicContact CB-CE1 3.69Å; H179-F202 HydrophobicContact CB-CG 4.15Å; H179-F202 AromaticContact CD2-CE1 3.89Å; H179-F202 AromaticContact CG-CD1 3.86Å; H179-F202 AromaticContact CG-CE1 3.6Å; H179-F202 CarbonylContact O-C 3.58Å; F182-F202 HydrophobicContact CD2-CD1 4.28Å; F182-F202 AromaticContact CD2-CE1 3.79Å; F182-F202 HydrophobicContact CD2-CE1 3.79Å; F182-F202 HydrophobicContact CD2-CZ 4.23Å; N187-F202 WeakPolarHBondContact OD1-CZ 3.46Å; Q200-F202 HydrophobicContact CB-CE2 4.19Å; F202-P204 VanDerWaalsContact O-CD 3.26Å; F202-P204 WeakPolarHBondContact O-CD 3.44Å
203	Y	85.5	Confident	89.9	Confident	14 Å²	14	32.8 Å²	32.8	6%	0.055	18%	0.18	C	C	.	.			trans	-67.3	116.4	169.9	179.3	-135.6	0	0	0	109.5	H179 N205 S206 Y253 V254 L455	H179-Y203 PolarHBondContact O-N 2.82Å; Y203-N205 VanDerWaalsContact CD1-C 3.4Å; Y203-N205 HydrophobicContact CE1-CB 4.01Å; Y203-N205 WeakPolarHBondContact CE1-O 3.31Å; Y203-N205 HydrophobicContact CE2-CB 3.94Å; Y203-N205 PolarHBondContact O-N 3.42Å; Y203-N205 VanDerWaalsContact O-N 3.17Å; Y203-S206 VanDerWaalsContact CD1-N 3.32Å; Y203-S206 PolarHBondContact O-N 3.37Å; Y203-Y253 AromaticContact CD1-CD1 3.74Å; Y203-Y253 HydrophobicContact CD1-CD1 3.74Å; Y203-Y253 AromaticContact CE1-CD1 3.89Å; Y203-Y253 HydrophobicContact CE1-CD1 3.89Å; Y203-V254 WeakPolarHBondContact CD2-O 3.45Å; Y203-V254 HydrophobicContact CE2-CB 4.12Å; Y203-V254 WeakPolarHBondContact CE2-O 3.47Å; Y203-V254 PolarHBondContact OH-N 3.24Å; Y203-L455 VanDerWaalsContact OH-CD2 3.32Å; Y203-L455 WeakPolarHBondContact OH-CD2 3.33Å
204	P	80.9	Confident	89.3	Confident	41 Å²	41	35.5 Å²	35.5	27%	0.266	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.7	-174.6	27.1	-37.1	0	0	0	113.4	F202 L209	F202-P204 VanDerWaalsContact O-CD 3.26Å; F202-P204 WeakPolarHBondContact O-CD 3.44Å; P204-L209 WeakPolarHBondContact O-CD1 3.34Å
205	N	82	Confident	88.7	Confident	54 Å²	54	29.6 Å²	29.6	29%	0.289	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	37.6	-177.4	-54.6	122.5	0	0	0	111.2	Y203 P215 L455	Y203-N205 VanDerWaalsContact CD1-C 3.4Å; Y203-N205 HydrophobicContact CE1-CB 4.01Å; Y203-N205 WeakPolarHBondContact CE1-O 3.31Å; Y203-N205 HydrophobicContact CE2-CB 3.94Å; Y203-N205 PolarHBondContact O-N 3.42Å; Y203-N205 VanDerWaalsContact O-N 3.17Å; N205-P215 HydrophobicContact CB-CG 3.95Å; N205-P215 WeakPolarHBondContact O-CG 3.41Å; N205-L455 HydrophobicContact CB-CD1 4.34Å; N205-L455 HydrophobicContact CB-CD2 4.37Å
206	S	83.1	Confident	88.1	Confident	4 Å²	4	28.1 Å²	28.1	3%	0.028	16%	0.16	C	C	.	.			trans	-66	153.7	174.9	76.4	0	0	0	0	111.7	D180 Y203 Q208 L209	D180-S206 WeakPolarHBondContact O-CB 3.46Å; Y203-S206 VanDerWaalsContact CD1-N 3.32Å; Y203-S206 PolarHBondContact O-N 3.37Å; S206-Q208 PolarHBondContact O-N 3.04Å; S206-L209 PolarHBondContact O-N 2.92Å; S206-L209 VanDerWaalsContact O-N 3.12Å; S206-L209 WeakPolarHBondContact OG-CG 3.17Å
207	I	82.8	Confident	87.4	Confident	55 Å²	55	34.6 Å²	34.6	28%	0.282	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-63.3	-27	178	55.6	170.7	0	0	0	114.1	L209 S210 V251	I207-L209 PolarHBondContact O-N 3.17Å; I207-S210 CarbonylContact O-C 3.59Å; I207-S210 PolarHBondContact O-N 2.92Å; I207-V251 HydrophobicContact CB-CG1 4.25Å; I207-V251 HydrophobicContact CD1-CG1 4.04Å; I207-V251 HydrophobicContact CG1-CG1 4.46Å; I207-V251 HydrophobicContact CG2-CB 4.13Å; I207-V251 HydrophobicContact CG2-CG1 3.07Å; I207-V251 HydrophobicContact CG2-CG2 3.95Å
208	Q	84.6	Confident	86.9	Confident	42 Å²	42	34.5 Å²	34.5	20%	0.196	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.7	-30.2	177.4	-173.4	-178	31.1	0	0	111.3	I117 Y181 F182 S206	I117-Q208 HydrophobicContact CD1-CG 4.12Å; Y181-Q208 HydrophobicContact CE2-CG 4.42Å; F182-Q208 PolarHBondContact O-NE2 2.98Å; F182-Q208 PolarHBondContact O-OE1 3.27Å; S206-Q208 PolarHBondContact O-N 3.04Å
209	L	85.5	Confident	86.3	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-85	-12.9	-179.3	-62.6	178.5	0	0	0	113.8	I117 R118 V121 P204 S206 I207	I117-L209 HydrophobicContact CB-CD2 3.78Å; I117-L209 HydrophobicContact CG2-CD2 3.51Å; R118-L209 HydrophobicContact CB-CD2 3.96Å; R118-L209 PolarHBondContact NH2-O 2.83Å; V121-L209 HydrophobicContact CG1-CD1 4.3Å; P204-L209 WeakPolarHBondContact O-CD1 3.34Å; S206-L209 PolarHBondContact O-N 2.92Å; S206-L209 VanDerWaalsContact O-N 3.12Å; S206-L209 WeakPolarHBondContact OG-CG 3.17Å; I207-L209 PolarHBondContact O-N 3.17Å
210	S	86.7	Confident	86	Confident	19 Å²	19	46.4 Å²	46.4	13%	0.133	25%	0.251	C	S	.	.			trans	-134.7	63	-178.2	-62.3	0	0	0	0	111.4	I207 T212 S213 G216	I207-S210 CarbonylContact O-C 3.59Å; I207-S210 PolarHBondContact O-N 2.92Å; S210-T212 PolarHBondContact O-N 3.36Å; S210-T212 VanDerWaalsContact O-N 3.14Å; S210-S213 VanDerWaalsContact CB-O 3.29Å; S210-S213 WeakPolarHBondContact CB-O 3.32Å; S210-S213 PolarHBondContact O-N 3.25Å; S210-G216 WeakPolarHBondContact O-CA 3.16Å
211	P	84.6	Confident	85.7	Confident	86 Å²	86	46.9 Å²	46.9	56%	0.558	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.7	-171.3	25.4	-35.7	0	0	0	114.5
212	T	87	Confident	85.5	Confident	94 Å²	94	46.2 Å²	46.2	58%	0.577	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	13.3	-176.1	56.3	0	0	0	0	113.3	S210 K217 P219	S210-T212 PolarHBondContact O-N 3.36Å; S210-T212 VanDerWaalsContact O-N 3.14Å; T212-K217 CarbonylContact C-O 3.46Å; T212-K217 WeakPolarHBondContact CA-O 3.32Å; T212-P219 WeakPolarHBondContact O-CD 3.47Å
213	S	88.4	Confident	85.3	Confident	55 Å²	55	48.2 Å²	48.2	39%	0.385	26%	0.264	S	S	.	.	S	Bend	trans	-147.8	163	-177.6	61.8	0	0	0	0	110.8	S210 G216	S210-S213 VanDerWaalsContact CB-O 3.29Å; S210-S213 WeakPolarHBondContact CB-O 3.32Å; S210-S213 PolarHBondContact O-N 3.25Å; S213-G216 CarbonylContact O-C 3.45Å; S213-G216 WeakPolarHBondContact O-CA 3.33Å; S213-G216 PolarHBondContact O-N 3.31Å
214	F	85.1	Confident	84.9	Confident	64 Å²	64	50 Å²	50	28%	0.281	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	136.1	173.9	178.4	-90.5	0	0	0	110.4	R249 R451 D452 L455	F214-R249 VanDerWaalsContact CD2-CZ 3.49Å; F214-R249 VanDerWaalsContact CE2-NH2 3.29Å; F214-R451 HydrophobicContact CD2-CB 3.8Å; F214-R451 HydrophobicContact CD2-CG 4.5Å; F214-R451 HydrophobicContact CE1-CB 4.15Å; F214-R451 HydrophobicContact CE2-CB 3.34Å; F214-R451 HydrophobicContact CE2-CG 4.45Å; F214-R451 HydrophobicContact CG-CB 4.4Å; F214-R451 VanDerWaalsContact CZ-C 3.48Å; F214-R451 HydrophobicContact CZ-CB 3.55Å; F214-R451 WeakPolarHBondContact CZ-O 3.17Å; F214-D452 VanDerWaalsContact CE2-OD1 3.28Å; F214-D452 WeakPolarHBondContact CE2-OD1 3.37Å; F214-L455 HydrophobicContact CE1-CB 4.29Å; F214-L455 HydrophobicContact CE1-CD2 3.97Å; F214-L455 HydrophobicContact CZ-CB 4.04Å; F214-L455 HydrophobicContact CZ-CD2 3.82Å
215	P	85.7	Confident	84.9	Confident	5 Å²	5	53 Å²	53	3%	0.032	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.1	1.4	8	36.4	-39.2	0	0	0	116	N205 R249 L455	N205-P215 HydrophobicContact CB-CG 3.95Å; N205-P215 WeakPolarHBondContact O-CG 3.41Å; P215-R249 PolarHBondContact O-NH1 3.35Å; P215-R249 PolarHBondContact O-NH2 3.04Å; P215-L455 HydrophobicContact CB-CD2 3.94Å; P215-L455 HydrophobicContact CG-CD2 4.42Å
216	G	84.4	Confident	85	Confident	1 Å²	1	52 Å²	52	1%	0.01	30%	0.295	C	S	.	.	S	Bend	trans	-72	-163.8	163.3	0	0	0	0	0	111.7	S210 S213 R249	S210-G216 WeakPolarHBondContact O-CA 3.16Å; S213-G216 CarbonylContact O-C 3.45Å; S213-G216 WeakPolarHBondContact O-CA 3.33Å; S213-G216 PolarHBondContact O-N 3.31Å; G216-R249 PolarHBondContact O-NH1 3.47Å
217	K	83.2	Confident	85.2	Confident	136 Å²	136	55 Å²	55	59%	0.591	31%	0.313	S	S	*	.			trans	-88	114.8	-176.6	-171.7	174.3	-178.1	179	0	110	T212	T212-K217 CarbonylContact C-O 3.46Å; T212-K217 WeakPolarHBondContact CA-O 3.32Å
218	S	86.5	Confident	85.4	Confident	10 Å²	10	55.4 Å²	55.4	7%	0.07	32%	0.318	C	S	.	.			trans	-76.9	142	171.5	177.3	0	0	0	0	110.2	F220 D221	S218-F220 PolarHBondContact O-N 2.96Å; S218-F220 VanDerWaalsContact O-N 3.1Å; S218-F220 PolarHBondContact OG-N 3.47Å; S218-F220 VanDerWaalsContact OG-N 3.17Å; S218-D221 WeakPolarHBondContact CB-OD2 3.35Å; S218-D221 PolarHBondContact N-OD2 2.9Å; S218-D221 WeakPolarHBondContact O-CB 3.24Å; S218-D221 PolarHBondContact O-N 3.28Å
219	P	86.4	Confident	85.6	Confident	100 Å²	100	57.5 Å²	57.5	65%	0.649	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21	167.4	-25.2	34.3	0	0	0	113.7	T212	T212-P219 WeakPolarHBondContact O-CD 3.47Å
220	F	88.7	Confident	85.9	Confident	150 Å²	150	62.1 Å²	62.1	66%	0.658	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.1	178.9	-54.1	-69	0	0	0	113.7	S218 C236 Q237	S218-F220 PolarHBondContact O-N 2.96Å; S218-F220 VanDerWaalsContact O-N 3.1Å; S218-F220 PolarHBondContact OG-N 3.47Å; S218-F220 VanDerWaalsContact OG-N 3.17Å; F220-C236 WeakPolarHBondContact O-CB 3.39Å; F220-Q237 HydrophobicContact CB-CB 4.13Å; F220-Q237 VanDerWaalsContact O-CB 3.3Å; F220-Q237 WeakPolarHBondContact O-CB 3.5Å; F220-Q237 PolarHBondContact O-N 2.83Å
221	D	87.6	Confident	86	Confident	18 Å²	18	61.2 Å²	61.2	10%	0.096	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-69	143.5	179.1	-71.9	-29.9	0	0	0	111.1	S218 R249 R451	S218-D221 WeakPolarHBondContact CB-OD2 3.35Å; S218-D221 PolarHBondContact N-OD2 2.9Å; S218-D221 WeakPolarHBondContact O-CB 3.24Å; S218-D221 PolarHBondContact O-N 3.28Å; D221-R249 IonicContact OD2-NH1 3.27Å; D221-R451 IonicContact OD1-CZ 3.54Å; D221-R451 VanDerWaalsContact OD1-CZ 3.32Å; D221-R451 IonicContact OD1-NH1 3.9Å; D221-R451 PolarHBondContact OD1-NH1 3.03Å; D221-R451 IonicContact OD1-NH2 3.4Å; D221-R451 PolarHBondContact OD1-NH2 3.1Å
222	C	87.3	Confident	86.3	Confident	8 Å²	8	65.2 Å²	65.2	5%	0.054	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-63.6	139.9	169.2	-53.7	0	0	0	0	110.2	A231 C236 Q237 W239 Y248	C222-A231 HydrophobicContact CB-CB 4.38Å; C222-C236 WeakPolarHBondContact CA-SG 3.42Å; C222-C236 HydrophobicContact CB-CB 3.95Å; C222-C236 WeakPolarHBondContact CB-SG 3.19Å; C222-C236 WeakPolarHBondContact SG-CB 3.21Å; C222-C236 CovalentContact SG-SG 2.02Å; C222-C236 PolarHBondContact SG-SG 3.27Å; C222-Q237 PolarHBondContact SG-O 3.26Å; C222-W239 VanDerWaalsContact SG-CA 3.56Å; C222-Y248 HydrophobicContact CB-CD1 3.49Å; C222-Y248 VanDerWaalsContact CB-CD1 3.49Å; C222-Y248 HydrophobicContact CB-CD2 3.68Å; C222-Y248 HydrophobicContact CB-CE1 4.01Å; C222-Y248 HydrophobicContact CB-CE2 4.17Å; C222-Y248 HydrophobicContact CB-CG 3.31Å
223	T	85.1	Confident	86.5	Confident	54 Å²	54	65 Å²	65	33%	0.331	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-73.4	146	176.7	79.1	0	0	0	0	110.4	S225 M226	T223-S225 PolarHBondContact O-N 3.17Å; T223-S225 VanDerWaalsContact O-N 3.1Å; T223-S225 PolarHBondContact OG1-OG 3.39Å; T223-M226 HydrophobicContact CG2-SD 4Å; T223-M226 PolarHBondContact N-SD 2.96Å; T223-M226 WeakPolarHBondContact O-CB 3.2Å; T223-M226 PolarHBondContact O-N 2.87Å; T223-M226 WeakPolarHBondContact OG1-CG 3.4Å; T223-M226 PolarHBondContact OG1-SD 2.86Å
224	S	78.3	Confident	86.6	Confident	53 Å²	53	65.3 Å²	65.3	37%	0.371	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.9	-176.5	51.7	0	0	0	0	113.8	N250	S224-N250 WeakPolarHBondContact CB-OD1 3.35Å
225	S	80.3	Confident	86.9	Confident	102 Å²	102	68 Å²	68	71%	0.713	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-5.9	177.8	65.1	0	0	0	0	114.7	T223	T223-S225 PolarHBondContact O-N 3.17Å; T223-S225 VanDerWaalsContact O-N 3.1Å; T223-S225 PolarHBondContact OG1-OG 3.39Å
226	M	83.9	Confident	87	Confident	35 Å²	35	68.6 Å²	68.6	17%	0.172	39%	0.391	C	S	.	.			trans	-74.6	141.5	-178.5	-81.4	167	85.5	0	0	111.9	T223 Q230 A231 A234 Y248	T223-M226 HydrophobicContact CG2-SD 4Å; T223-M226 PolarHBondContact N-SD 2.96Å; T223-M226 WeakPolarHBondContact O-CB 3.2Å; T223-M226 PolarHBondContact O-N 2.87Å; T223-M226 WeakPolarHBondContact OG1-CG 3.4Å; T223-M226 PolarHBondContact OG1-SD 2.86Å; M226-Q230 HydrophobicContact CB-CB 4.32Å; M226-Q230 VanDerWaalsContact CE-C 3.5Å; M226-Q230 HydrophobicContact CE-CB 3.95Å; M226-Q230 WeakPolarHBondContact CE-O 3.21Å; M226-Q230 HydrophobicContact CG-CB 4.33Å; M226-A231 HydrophobicContact CE-CB 4.36Å; M226-A234 HydrophobicContact CE-CB 3.64Å; M226-Y248 HydrophobicContact CB-CD2 4.29Å; M226-Y248 HydrophobicContact CB-CE2 4.4Å
227	T	86.9	Confident	87.1	Confident	66 Å²	66	72.4 Å²	72.4	41%	0.405	41%	0.409	S	S	.	.			trans	-74.4	159.8	167.3	70.1	0	0	0	0	110.9	S229 Q230 A231	T227-S229 PolarHBondContact O-N 3.49Å; T227-S229 PolarHBondContact OG1-OG 3.4Å; T227-Q230 PolarHBondContact O-N 2.83Å; T227-Q230 VanDerWaalsContact O-N 3.08Å; T227-Q230 VanDerWaalsContact OG1-CG 3.31Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.48Å; T227-Q230 PolarHBondContact OG1-N 2.89Å; T227-Q230 PolarHBondContact OG1-OE1 3.42Å; T227-A231 WeakPolarHBondContact O-CB 3.27Å; T227-A231 PolarHBondContact O-N 2.79Å
228	V	86.4	Confident	87	Confident	63 Å²	63	68.3 Å²	68.3	38%	0.382	39%	0.393	S	S	.	.	H	α-helix	trans	-56.3	-35.8	175.8	-179.1	0	0	0	0	112.5	R232 P242 Y248	V228-R232 WeakPolarHBondContact O-CB 3.36Å; V228-R232 PolarHBondContact O-N 2.84Å; V228-P242 HydrophobicContact CG2-CB 4.3Å; V228-P242 HydrophobicContact CG2-CG 3.94Å; V228-Y248 WeakPolarHBondContact CA-OH 3.28Å
229	S	89.9	Confident	86.9	Confident	87 Å²	87	70 Å²	70	61%	0.608	40%	0.398	S	S	*	.	H	α-helix	trans	-69.2	-40.8	176.7	54.6	0	0	0	0	112.7	T227 A233	T227-S229 PolarHBondContact O-N 3.49Å; T227-S229 PolarHBondContact OG1-OG 3.4Å; S229-A233 WeakPolarHBondContact O-CB 3.47Å; S229-A233 PolarHBondContact O-N 2.82Å
230	Q	91	Very high	86.8	Confident	98 Å²	98	71.6 Å²	71.6	46%	0.458	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-42.6	175.4	-72	169.9	-25.3	0	0	111.4	M226 T227 A233 A234	M226-Q230 HydrophobicContact CB-CB 4.32Å; M226-Q230 VanDerWaalsContact CE-C 3.5Å; M226-Q230 HydrophobicContact CE-CB 3.95Å; M226-Q230 WeakPolarHBondContact CE-O 3.21Å; M226-Q230 HydrophobicContact CG-CB 4.33Å; T227-Q230 PolarHBondContact O-N 2.83Å; T227-Q230 VanDerWaalsContact O-N 3.08Å; T227-Q230 VanDerWaalsContact OG1-CG 3.31Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.48Å; T227-Q230 PolarHBondContact OG1-N 2.89Å; T227-Q230 PolarHBondContact OG1-OE1 3.42Å; Q230-A233 PolarHBondContact O-N 2.75Å; Q230-A234 WeakPolarHBondContact O-CB 3.41Å; Q230-A234 PolarHBondContact O-N 2.81Å
231	A	89.5	Confident	86.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-64.6	-41.1	178.9	0	0	0	0	0	111.9	C222 M226 T227 A234 N235 C236 W239 Y248	C222-A231 HydrophobicContact CB-CB 4.38Å; M226-A231 HydrophobicContact CE-CB 4.36Å; T227-A231 WeakPolarHBondContact O-CB 3.27Å; T227-A231 PolarHBondContact O-N 2.79Å; A231-A234 PolarHBondContact O-N 3.48Å; A231-N235 PolarHBondContact O-N 2.86Å; A231-C236 VanDerWaalsContact CA-SG 3.53Å; A231-C236 VanDerWaalsContact CB-SG 3.56Å; A231-C236 PolarHBondContact O-N 3.18Å; A231-C236 PolarHBondContact O-SG 2.87Å; A231-C236 VanDerWaalsContact O-SG 3.35Å; A231-W239 HydrophobicContact CB-CB 3.83Å; A231-Y248 HydrophobicContact CB-CD2 4.33Å; A231-Y248 HydrophobicContact CB-CE1 4.22Å; A231-Y248 HydrophobicContact CB-CE2 3.36Å; A231-Y248 WeakPolarHBondContact CB-OH 3.41Å
232	R	90.5	Very high	86.4	Confident	171 Å²	171	72.8 Å²	72.8	65%	0.645	40%	0.4	S	S	*	.	H	α-helix	trans	-60.1	-44.9	170.5	-176.1	174.6	-177.1	175.5	0.6	112	V228 N235 W239	V228-R232 WeakPolarHBondContact O-CB 3.36Å; V228-R232 PolarHBondContact O-N 2.84Å; R232-N235 PolarHBondContact O-N 3.03Å; R232-N235 VanDerWaalsContact O-N 3.15Å; R232-W239 HydrophobicContact CB-CD2 3.99Å; R232-W239 HydrophobicContact CB-CE3 3.58Å; R232-W239 HydrophobicContact CB-CH2 4.06Å; R232-W239 HydrophobicContact CB-CZ2 4.39Å; R232-W239 HydrophobicContact CB-CZ3 3.64Å; R232-W239 HydrophobicContact CG-CD2 4.28Å; R232-W239 HydrophobicContact CG-CE3 4.03Å; R232-W239 HydrophobicContact CG-CH2 3.56Å; R232-W239 HydrophobicContact CG-CZ2 3.79Å; R232-W239 HydrophobicContact CG-CZ3 3.68Å
233	A	92.3	Very high	86	Confident	89 Å²	89	73.1 Å²	73.1	74%	0.736	40%	0.402	S	S	*	.	H	α-helix	trans	-66	-38.4	179.5	0	0	0	0	0	112.4	S229 Q230 N235	S229-A233 WeakPolarHBondContact O-CB 3.47Å; S229-A233 PolarHBondContact O-N 2.82Å; Q230-A233 PolarHBondContact O-N 2.75Å; A233-N235 PolarHBondContact O-N 3.35Å
234	A	89.9	Confident	85.6	Confident	61 Å²	61	76 Å²	76	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-74.2	-12.7	174.3	0	0	0	0	0	113	M226 Q230 A231 C236	M226-A234 HydrophobicContact CE-CB 3.64Å; Q230-A234 WeakPolarHBondContact O-CB 3.41Å; Q230-A234 PolarHBondContact O-N 2.81Å; A231-A234 PolarHBondContact O-N 3.48Å; A234-C236 PolarHBondContact O-N 3.36Å; A234-C236 VanDerWaalsContact O-N 3.14Å
235	N	90.5	Very high	85.9	Confident	122 Å²	122	79 Å²	79	65%	0.652	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	40	-171.8	-166.7	43.3	0	0	0	112.6	A231 R232 A233 W239	A231-N235 PolarHBondContact O-N 2.86Å; R232-N235 PolarHBondContact O-N 3.03Å; R232-N235 VanDerWaalsContact O-N 3.15Å; A233-N235 PolarHBondContact O-N 3.35Å; N235-W239 PolarHBondContact OD1-NE1 3.27Å
236	C	89.3	Confident	85.8	Confident	16 Å²	16	75.2 Å²	75.2	11%	0.108	39%	0.39	C	S	.	.			trans	-67.2	157.2	179.9	50.3	0	0	0	0	111	F220 C222 A231 A234 I238 W239	F220-C236 WeakPolarHBondContact O-CB 3.39Å; C222-C236 WeakPolarHBondContact CA-SG 3.42Å; C222-C236 HydrophobicContact CB-CB 3.95Å; C222-C236 WeakPolarHBondContact CB-SG 3.19Å; C222-C236 WeakPolarHBondContact SG-CB 3.21Å; C222-C236 CovalentContact SG-SG 2.02Å; C222-C236 PolarHBondContact SG-SG 3.27Å; A231-C236 VanDerWaalsContact CA-SG 3.53Å; A231-C236 VanDerWaalsContact CB-SG 3.56Å; A231-C236 PolarHBondContact O-N 3.18Å; A231-C236 PolarHBondContact O-SG 2.87Å; A231-C236 VanDerWaalsContact O-SG 3.35Å; A234-C236 PolarHBondContact O-N 3.36Å; A234-C236 VanDerWaalsContact O-N 3.14Å; C236-I238 PolarHBondContact O-N 2.95Å; C236-W239 WeakPolarHBondContact O-CB 3.43Å; C236-W239 VanDerWaalsContact O-CD1 3.3Å; C236-W239 PolarHBondContact O-N 3.01Å
237	Q	84.9	Confident	85.6	Confident	81 Å²	81	78 Å²	78	38%	0.379	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-55.8	126.5	-179.6	-177.3	170.3	4.1	0	0	109.9	F220 C222 W239 R451	F220-Q237 HydrophobicContact CB-CB 4.13Å; F220-Q237 VanDerWaalsContact O-CB 3.3Å; F220-Q237 WeakPolarHBondContact O-CB 3.5Å; F220-Q237 PolarHBondContact O-N 2.83Å; C222-Q237 PolarHBondContact SG-O 3.26Å; Q237-W239 PolarHBondContact O-N 3.15Å; Q237-R451 VanDerWaalsContact CD-NH1 3.31Å
238	I	82.3	Confident	85.1	Confident	50 Å²	50	75.3 Å²	75.3	26%	0.256	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	24.1	174.7	-59.8	159.7	0	0	0	112.9	C236 Q240 R241 R451	C236-I238 PolarHBondContact O-N 2.95Å; I238-Q240 PolarHBondContact O-N 3.27Å; I238-R241 HydrophobicContact CG2-CB 3.58Å; I238-R241 HydrophobicContact CG2-CG 3.89Å; I238-R241 PolarHBondContact O-N 3.5Å; I238-R451 VanDerWaalsContact CD1-CD 3.44Å; I238-R451 HydrophobicContact CD1-CG 3.78Å
239	W	83.8	Confident	84.4	Confident	45 Å²	45	73.9 Å²	73.9	17%	0.17	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-26.6	176.8	72.9	-99.9	0	0	0	114.5	C222 A231 R232 N235 C236 Q237 R241 Y248	C222-W239 VanDerWaalsContact SG-CA 3.56Å; A231-W239 HydrophobicContact CB-CB 3.83Å; R232-W239 HydrophobicContact CB-CD2 3.99Å; R232-W239 HydrophobicContact CB-CE3 3.58Å; R232-W239 HydrophobicContact CB-CH2 4.06Å; R232-W239 HydrophobicContact CB-CZ2 4.39Å; R232-W239 HydrophobicContact CB-CZ3 3.64Å; R232-W239 HydrophobicContact CG-CD2 4.28Å; R232-W239 HydrophobicContact CG-CE3 4.03Å; R232-W239 HydrophobicContact CG-CH2 3.56Å; R232-W239 HydrophobicContact CG-CZ2 3.79Å; R232-W239 HydrophobicContact CG-CZ3 3.68Å; N235-W239 PolarHBondContact OD1-NE1 3.27Å; C236-W239 WeakPolarHBondContact O-CB 3.43Å; C236-W239 VanDerWaalsContact O-CD1 3.3Å; C236-W239 PolarHBondContact O-N 3.01Å; Q237-W239 PolarHBondContact O-N 3.15Å; W239-R241 VanDerWaalsContact C-N 3.26Å; W239-R241 PolarHBondContact O-N 3.48Å; W239-Y248 VanDerWaalsContact O-CE1 3.32Å; W239-Y248 WeakPolarHBondContact O-CE1 3.38Å; W239-Y248 PolarHBondContact O-OH 2.86Å
240	Q	85.5	Confident	82.8	Confident	135 Å²	135	73.6 Å²	73.6	63%	0.631	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.3	179.2	-60.4	178.8	11.5	0	0	114.4	I238 P242	I238-Q240 PolarHBondContact O-N 3.27Å; Q240-P242 WeakPolarHBondContact O-CD 3.47Å
241	R	83.2	Confident	81.1	Confident	155 Å²	155	71.8 Å²	71.8	59%	0.585	36%	0.36	S	S	*	.			trans	-123.3	65.2	-175.9	-52.9	-66.6	-171.8	118.1	-0.7	111.1	I238 W239 P450	I238-R241 HydrophobicContact CG2-CB 3.58Å; I238-R241 HydrophobicContact CG2-CG 3.89Å; I238-R241 PolarHBondContact O-N 3.5Å; W239-R241 VanDerWaalsContact C-N 3.26Å; W239-R241 PolarHBondContact O-N 3.48Å; R241-P450 HydrophobicContact CB-CG 4.39Å; R241-P450 HydrophobicContact CG-CG 4.13Å
242	P	83	Confident	79.4	Confident	38 Å²	38	72.5 Å²	72.5	25%	0.247	36%	0.364	C	S	.	.			trans	-66.5	164.2	165.6	33.9	-36.6	0	0	0	110.3	V228 Q240 H247 Y248	V228-P242 HydrophobicContact CG2-CB 4.3Å; V228-P242 HydrophobicContact CG2-CG 3.94Å; Q240-P242 WeakPolarHBondContact O-CD 3.47Å; P242-H247 CarbonylContact C-O 3.55Å; P242-H247 WeakPolarHBondContact CA-O 3.28Å; P242-Y248 HydrophobicContact CB-CE1 4.11Å
243	D	80.3	Confident	77.5	Confident	15 Å²	15	67.9 Å²	67.9	8%	0.08	35%	0.347	C	S	.	.			trans	-63.5	176.7	168.1	81.5	1.9	0	0	0	111.7	Y245 G246 H247 D355 G446	D243-Y245 PolarHBondContact O-N 3.13Å; D243-Y245 VanDerWaalsContact OD1-C 3.29Å; D243-Y245 VanDerWaalsContact OD1-CA 3.3Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.5Å; D243-Y245 PolarHBondContact OD1-N 2.83Å; D243-G246 PolarHBondContact O-N 3.2Å; D243-G246 PolarHBondContact OD1-N 2.02Å; D243-H247 PolarHBondContact N-O 3.04Å; D243-H247 IonicContact OD1-CG 2.76Å; D243-H247 PolarHBondContact OD1-N 3.41Å; D243-H247 IonicContact OD1-ND1 3.79Å; D243-H247 IonicContact OD2-CG 3.62Å; D243-H247 IonicContact OD2-ND1 3.98Å; D243-D355 WeakPolarHBondContact CB-OD2 3.41Å; D243-G446 PolarHBondContact OD2-N 2.91Å
244	K	76.9	Confident	75.5	Confident	113 Å²	113	64.2 Å²	64.2	49%	0.491	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-24.4	179.8	-174.1	172.8	-173.8	173.5	0	113.9	D355 E443	K244-D355 VanDerWaalsContact CB-OD2 3.27Å; K244-D355 WeakPolarHBondContact CB-OD2 3.26Å; K244-D355 PolarHBondContact N-OD2 2.7Å; K244-E443 HydrophobicContact CD-CG 3.69Å; K244-E443 VanDerWaalsContact CD-OE1 3.32Å; K244-E443 WeakPolarHBondContact CD-OE1 3.42Å; K244-E443 WeakPolarHBondContact CE-OE1 3.45Å; K244-E443 IonicContact NZ-OE1 4Å; K244-E443 PolarHBondContact NZ-OE1 3.49Å; K244-E443 IonicContact NZ-OE2 3.13Å; K244-E443 PolarHBondContact NZ-OE2 2.96Å
245	Y	83.3	Confident	73.5	Confident	117 Å²	117	66.5 Å²	66.5	46%	0.459	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	1.8	-178.9	-64.9	-71.7	0	0	0	113.8	D243 E443 N444	D243-Y245 PolarHBondContact O-N 3.13Å; D243-Y245 VanDerWaalsContact OD1-C 3.29Å; D243-Y245 VanDerWaalsContact OD1-CA 3.3Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.5Å; D243-Y245 PolarHBondContact OD1-N 2.83Å; Y245-E443 VanDerWaalsContact CE2-O 3.29Å; Y245-E443 WeakPolarHBondContact CE2-O 3.46Å; Y245-E443 PolarHBondContact OH-O 3.48Å; Y245-N444 WeakPolarHBondContact CD2-O 3.32Å
246	G	77.7	Confident	71.5	Confident	22 Å²	22	63.9 Å²	63.9	23%	0.227	30%	0.301	C	S	.	.	S	Bend	trans	90.6	6.2	180	0	0	0	0	0	114.4	D243	D243-G246 PolarHBondContact O-N 3.2Å; D243-G246 PolarHBondContact OD1-N 2.02Å
247	H	79.7	Confident	70.4	Confident	95 Å²	95	65.4 Å²	65.4	44%	0.44	32%	0.318	S	S	.	.			trans	-89	157	178.2	-50.7	120.1	0	0	0	111.9	P242 D243	P242-H247 CarbonylContact C-O 3.55Å; P242-H247 WeakPolarHBondContact CA-O 3.28Å; D243-H247 PolarHBondContact N-O 3.04Å; D243-H247 IonicContact OD1-CG 2.76Å; D243-H247 PolarHBondContact OD1-N 3.41Å; D243-H247 IonicContact OD1-ND1 3.79Å; D243-H247 IonicContact OD2-CG 3.62Å; D243-H247 IonicContact OD2-ND1 3.98Å
248	Y	77	Confident	69.7	Low	9 Å²	9	62.9 Å²	62.9	4%	0.035	31%	0.307	C	S	.	.			trans	-98.9	159.1	176.3	-66.9	-78.8	0	0	0	112.1	C222 M226 V228 A231 W239 P242 N250	C222-Y248 HydrophobicContact CB-CD1 3.49Å; C222-Y248 VanDerWaalsContact CB-CD1 3.49Å; C222-Y248 HydrophobicContact CB-CD2 3.68Å; C222-Y248 HydrophobicContact CB-CE1 4.01Å; C222-Y248 HydrophobicContact CB-CE2 4.17Å; C222-Y248 HydrophobicContact CB-CG 3.31Å; M226-Y248 HydrophobicContact CB-CD2 4.29Å; M226-Y248 HydrophobicContact CB-CE2 4.4Å; V228-Y248 WeakPolarHBondContact CA-OH 3.28Å; A231-Y248 HydrophobicContact CB-CD2 4.33Å; A231-Y248 HydrophobicContact CB-CE1 4.22Å; A231-Y248 HydrophobicContact CB-CE2 3.36Å; A231-Y248 WeakPolarHBondContact CB-OH 3.41Å; W239-Y248 VanDerWaalsContact O-CE1 3.32Å; W239-Y248 WeakPolarHBondContact O-CE1 3.38Å; W239-Y248 PolarHBondContact O-OH 2.86Å; P242-Y248 HydrophobicContact CB-CE1 4.11Å; Y248-N250 PolarHBondContact O-N 3.35Å
249	R	72.3	Confident	69.2	Low	33 Å²	33	65.1 Å²	65.1	13%	0.125	33%	0.325	C	S	.	.			trans	-36.4	130.1	-173.7	-178.2	176.9	-178.8	-112.7	-5.6	114.2	F214 P215 G216 D221 D449 D452	F214-R249 VanDerWaalsContact CD2-CZ 3.49Å; F214-R249 VanDerWaalsContact CE2-NH2 3.29Å; P215-R249 PolarHBondContact O-NH1 3.35Å; P215-R249 PolarHBondContact O-NH2 3.04Å; G216-R249 PolarHBondContact O-NH1 3.47Å; D221-R249 IonicContact OD2-NH1 3.27Å; R249-D449 HydrophobicContact CB-CB 4.18Å; R249-D449 VanDerWaalsContact CD-OD2 3.24Å; R249-D449 WeakPolarHBondContact CD-OD2 3.48Å; R249-D449 HydrophobicContact CG-CB 4.17Å; R249-D452 VanDerWaalsContact CD-OD2 3.31Å; R249-D452 WeakPolarHBondContact CD-OD2 3.46Å; R249-D452 WeakPolarHBondContact CG-OD2 3.4Å; R249-D452 IonicContact CZ-OD1 2.64Å; R249-D452 IonicContact CZ-OD2 3.47Å; R249-D452 VanDerWaalsContact NE-CG 3.34Å; R249-D452 IonicContact NE-OD1 3.17Å; R249-D452 PolarHBondContact NE-OD1 2.99Å; R249-D452 VanDerWaalsContact NE-OD1 3.11Å; R249-D452 IonicContact NE-OD2 2.78Å; R249-D452 PolarHBondContact NE-OD2 2.98Å; R249-D452 IonicContact NH2-OD1 2.85Å; R249-D452 PolarHBondContact NH2-OD1 2.96Å; R249-D452 IonicContact NH2-OD2 3.78Å
250	N	56.7	Low	68.9	Low	81 Å²	81	68.6 Å²	68.6	43%	0.433	34%	0.338	S	S	.	.			trans	-104.1	152.9	157.6	-68.6	-44.1	0	0	0	108.8	S224 Y248 N252	S224-N250 WeakPolarHBondContact CB-OD1 3.35Å; Y248-N250 PolarHBondContact O-N 3.35Å; N250-N252 PolarHBondContact O-ND2 2.91Å; N250-N252 VanDerWaalsContact O-ND2 3.11Å
251	V	54.9	Low	68.6	Low	59 Å²	59	63.2 Å²	63.2	36%	0.358	31%	0.314	S	S	.	.			trans	-63.5	139.2	-177.9	161.6	0	0	0	0	111.3	I207	I207-V251 HydrophobicContact CB-CG1 4.25Å; I207-V251 HydrophobicContact CD1-CG1 4.04Å; I207-V251 HydrophobicContact CG1-CG1 4.46Å; I207-V251 HydrophobicContact CG2-CB 4.13Å; I207-V251 HydrophobicContact CG2-CG1 3.07Å; I207-V251 HydrophobicContact CG2-CG2 3.95Å
252	N	52.8	Low	68.4	Low	16 Å²	16	64 Å²	64	9%	0.086	32%	0.317	C	S	.	.			trans	-144.4	149.7	-170.4	-84.3	-36.9	0	0	0	112	N250 G446 W447	N250-N252 PolarHBondContact O-ND2 2.91Å; N250-N252 VanDerWaalsContact O-ND2 3.11Å; N252-G446 PolarHBondContact ND2-O 3.32Å; N252-W447 HydrophobicContact CB-CE3 3.69Å; N252-W447 HydrophobicContact CB-CH2 3.98Å; N252-W447 HydrophobicContact CB-CZ3 3.25Å
253	Y	51.7	Low	68.5	Low	73 Å²	73	69.7 Å²	69.7	29%	0.286	34%	0.34	S	S	.	.			trans	-111.9	153.8	-176.2	-58.4	-80.2	0	0	0	112.6	D180 Y203	D180-Y253 HydrophobicContact CB-CD1 3.72Å; D180-Y253 HydrophobicContact CB-CE1 3.68Å; D180-Y253 HydrophobicContact CB-CG 4.2Å; D180-Y253 WeakPolarHBondContact OD2-CE2 3.44Å; Y203-Y253 AromaticContact CD1-CD1 3.74Å; Y203-Y253 HydrophobicContact CD1-CD1 3.74Å; Y203-Y253 AromaticContact CE1-CD1 3.89Å; Y203-Y253 HydrophobicContact CE1-CD1 3.89Å
254	V	50.1	Low	68.8	Low	13 Å²	13	71.1 Å²	71.1	8%	0.079	35%	0.345	C	S	.	.			trans	-136.1	153.1	177.6	178.2	0	0	0	0	108.9	Y203 W447 L455 C456 N459	Y203-V254 WeakPolarHBondContact CD2-O 3.45Å; Y203-V254 HydrophobicContact CE2-CB 4.12Å; Y203-V254 WeakPolarHBondContact CE2-O 3.47Å; Y203-V254 PolarHBondContact OH-N 3.24Å; V254-W447 HydrophobicContact CG2-CH2 4.12Å; V254-L455 HydrophobicContact CG2-CG 4.41Å; V254-C456 HydrophobicContact CG1-CB 4.4Å; V254-C456 HydrophobicContact CG2-CB 3.96Å; V254-N459 HydrophobicContact CG1-CB 3.47Å; V254-N459 VanDerWaalsContact CG1-CB 3.47Å
255	F	48.6	Very low	69.4	Low	108 Å²	108	70.9 Å²	70.9	47%	0.474	35%	0.349	S	S	.	.			trans	-106	144.6	-177.8	-63.5	-84.1	0	0	0	112.6	Q149 N459	Q149-F255 HydrophobicContact CG-CZ 4.46Å; F255-N459 WeakPolarHBondContact O-CB 3.4Å
256	N	48.8	Very low	69.8	Low	68 Å²	68	66.7 Å²	66.7	36%	0.364	34%	0.341	S	S	.	.			trans	-111.9	159.3	174.5	-163.3	7.5	0	0	0	111.7
257	G	65.3	Low	70.6	Confident	47 Å²	47	67.4 Å²	67.4	49%	0.485	34%	0.336	S	S	.	.			trans	-78.8	152.2	-177	0	0	0	0	0	114.4
258	I	69.7	Low	71.3	Confident	28 Å²	28	63.9 Å²	63.9	14%	0.144	32%	0.322	C	S	.	.			trans	-99.6	114.7	178.1	-55.4	174.6	0	0	0	109.7	I176 M199 I201 R260 L261 R262	I176-I258 HydrophobicContact CD1-CD1 3.71Å; I176-I258 HydrophobicContact CG2-CD1 4Å; M199-I258 HydrophobicContact CE-CG2 3.4Å; M199-I258 HydrophobicContact SD-CG2 4.12Å; I201-I258 HydrophobicContact CD1-CD1 3.66Å; I201-I258 HydrophobicContact CD1-CG1 3.81Å; I201-I258 HydrophobicContact CG2-CD1 4.41Å; I201-I258 HydrophobicContact CG2-CG1 4.35Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 HydrophobicContact CG2-CB 4.39Å; I258-R260 PolarHBondContact O-N 3.38Å; I258-L261 HydrophobicContact CB-CB 4.25Å; I258-L261 HydrophobicContact CB-CD1 4.34Å; I258-L261 HydrophobicContact CB-CG 4.2Å; I258-L261 HydrophobicContact CD1-CD1 3.85Å; I258-L261 HydrophobicContact CG2-CB 4.4Å; I258-L261 HydrophobicContact CG2-CD1 4.47Å; I258-L261 HydrophobicContact CG2-CG 4.01Å; I258-L261 PolarHBondContact O-N 3.39Å; I258-R262 PolarHBondContact O-N 3Å
259	P	72.9	Confident	72.3	Confident	98 Å²	98	63.5 Å²	63.5	64%	0.636	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-56.7	-41.9	-179.8	-28.1	35.9	0	0	0	113.8	L261 R262	P259-L261 PolarHBondContact O-N 3.27Å; P259-L261 VanDerWaalsContact O-N 3.1Å; P259-R262 VanDerWaalsContact O-CB 3.25Å; P259-R262 WeakPolarHBondContact O-CB 3.35Å; P259-R262 PolarHBondContact O-N 2.66Å
260	R	76.2	Confident	73.5	Confident	117 Å²	117	64.7 Å²	64.7	44%	0.442	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.4	-17.8	178.3	-66.3	-165.7	77.5	177.2	-0.5	113.7	A128 I130 E133 I258	A128-R260 HydrophobicContact CB-CG 4.28Å; A128-R260 WeakPolarHBondContact O-CD 3.09Å; I130-R260 VanDerWaalsContact CG1-NH1 3.32Å; E133-R260 IonicContact OE1-NH2 3.59Å; E133-R260 PolarHBondContact OE1-NH2 3.32Å; E133-R260 IonicContact OE2-CZ 3.89Å; E133-R260 IonicContact OE2-NH1 2.7Å; E133-R260 PolarHBondContact OE2-NH1 3.28Å; E133-R260 IonicContact OE2-NH2 3.2Å; E133-R260 PolarHBondContact OE2-NH2 3.27Å; E133-R260 VanDerWaalsContact OE2-NH2 3.13Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 HydrophobicContact CG2-CB 4.39Å; I258-R260 PolarHBondContact O-N 3.38Å
261	L	79.3	Confident	75.4	Confident	23 Å²	23	61 Å²	61	12%	0.12	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-105	10.9	176.8	-59	-172.6	0	0	0	113.9	V145 L174 I176 I258 P259 H263 Y264 R338	V145-L261 HydrophobicContact CG1-CD1 4.11Å; V145-L261 HydrophobicContact CG2-CD1 4.48Å; V145-L261 HydrophobicContact CG2-CD2 4.41Å; L174-L261 HydrophobicContact CD2-CD2 3.91Å; I176-L261 HydrophobicContact CD1-CD1 3.58Å; I258-L261 HydrophobicContact CB-CB 4.25Å; I258-L261 HydrophobicContact CB-CD1 4.34Å; I258-L261 HydrophobicContact CB-CG 4.2Å; I258-L261 HydrophobicContact CD1-CD1 3.85Å; I258-L261 HydrophobicContact CG2-CB 4.4Å; I258-L261 HydrophobicContact CG2-CD1 4.47Å; I258-L261 HydrophobicContact CG2-CG 4.01Å; I258-L261 PolarHBondContact O-N 3.39Å; P259-L261 PolarHBondContact O-N 3.27Å; P259-L261 VanDerWaalsContact O-N 3.1Å; L261-H263 PolarHBondContact O-N 3.36Å; L261-H263 VanDerWaalsContact O-N 3.12Å; L261-Y264 WeakPolarHBondContact O-CB 3.26Å; L261-Y264 PolarHBondContact O-N 3.46Å; L261-R338 PolarHBondContact O-NH2 3.2Å
262	R	80.4	Confident	77.4	Confident	171 Å²	171	60.2 Å²	60.2	65%	0.645	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.5	-178.3	-174.8	178.5	-176.2	166.6	4.2	112.9	I258 P259	I258-R262 PolarHBondContact O-N 3Å; P259-R262 VanDerWaalsContact O-CB 3.25Å; P259-R262 WeakPolarHBondContact O-CB 3.35Å; P259-R262 PolarHBondContact O-N 2.66Å
263	H	84.2	Confident	79.5	Confident	158 Å²	158	59.4 Å²	59.4	73%	0.731	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	0.9	-179.4	-58.2	-59.9	0	0	0	114.1	L261 N265	L261-H263 PolarHBondContact O-N 3.36Å; L261-H263 VanDerWaalsContact O-N 3.12Å; H263-N265 PolarHBondContact O-N 3.17Å
264	Y	87.1	Confident	81.5	Confident	45 Å²	45	56.3 Å²	56.3	18%	0.176	28%	0.283	C	S	.	.			trans	-72.2	119.8	175.5	-176.8	-99.2	0	0	0	109.8	V145 L261 G266 W267 V268 R338	V145-Y264 HydrophobicContact CB-CE1 4.07Å; V145-Y264 HydrophobicContact CG2-CD1 4.03Å; V145-Y264 HydrophobicContact CG2-CD2 4.26Å; V145-Y264 HydrophobicContact CG2-CE1 3.64Å; V145-Y264 HydrophobicContact CG2-CE2 3.89Å; V145-Y264 HydrophobicContact CG2-CG 4.31Å; V145-Y264 PolarHBondContact N-OH 3.28Å; L261-Y264 WeakPolarHBondContact O-CB 3.26Å; L261-Y264 PolarHBondContact O-N 3.46Å; Y264-G266 VanDerWaalsContact CE1-C 3.41Å; Y264-G266 VanDerWaalsContact CE1-O 3.32Å; Y264-G266 WeakPolarHBondContact CE1-O 3.37Å; Y264-G266 VanDerWaalsContact CZ-CA 3.5Å; Y264-W267 WeakPolarHBondContact CE1-O 3.42Å; Y264-W267 PolarHBondContact OH-O 2.85Å; Y264-V268 HydrophobicContact CD1-CG2 4.1Å; Y264-V268 HydrophobicContact CE1-CG2 3.75Å; Y264-R338 PolarHBondContact O-NE 3.36Å; Y264-R338 PolarHBondContact O-NH2 3.29Å
265	N	89.6	Confident	83.8	Confident	108 Å²	108	55.9 Å²	55.9	58%	0.578	28%	0.28	S	S	*	.			trans	-112.4	-3.9	-179.5	-68.8	-41.7	0	0	0	113.3	H263 R338	H263-N265 PolarHBondContact O-N 3.17Å; N265-R338 HydrophobicContact CB-CB 4.42Å; N265-R338 WeakPolarHBondContact OD1-CB 3.43Å; N265-R338 WeakPolarHBondContact OD1-CG 3.43Å
266	G	90.9	Very high	86.1	Confident	28 Å²	28	51.6 Å²	51.6	29%	0.289	26%	0.261	S	S	.	.	S	Bend	trans	-69.1	-177.5	178.5	0	0	0	0	0	112.4	Y264 N337	Y264-G266 VanDerWaalsContact CE1-C 3.41Å; Y264-G266 VanDerWaalsContact CE1-O 3.32Å; Y264-G266 WeakPolarHBondContact CE1-O 3.37Å; Y264-G266 VanDerWaalsContact CZ-CA 3.5Å; G266-N337 WeakPolarHBondContact O-CB 3.47Å
267	W	94.3	Very high	88.5	Confident	37 Å²	37	48.4 Å²	48.4	14%	0.14	24%	0.244	C	C	.	.			trans	-74.1	140.8	176.1	-65.7	89.1	0	0	0	111.2	Y264 F285 A289 M292 I302 A335 N337	Y264-W267 WeakPolarHBondContact CE1-O 3.42Å; Y264-W267 PolarHBondContact OH-O 2.85Å; W267-F285 HydrophobicContact CB-CE1 4.31Å; W267-F285 HydrophobicContact CB-CE2 4.37Å; W267-F285 HydrophobicContact CB-CZ 3.51Å; W267-F285 HydrophobicContact CG-CZ 4.09Å; W267-A289 HydrophobicContact CG-CB 4.48Å; W267-M292 HydrophobicContact CH2-CE 4.09Å; W267-M292 HydrophobicContact CH2-CG 4.24Å; W267-M292 HydrophobicContact CZ2-CB 4.21Å; W267-M292 HydrophobicContact CZ2-CE 4.39Å; W267-M292 HydrophobicContact CZ2-CG 3.95Å; W267-I302 HydrophobicContact CD2-CD1 4.17Å; W267-I302 HydrophobicContact CE3-CD1 4Å; W267-I302 HydrophobicContact CE3-CG1 4.44Å; W267-I302 HydrophobicContact CH2-CD1 3.94Å; W267-I302 HydrophobicContact CH2-CG1 4.03Å; W267-I302 HydrophobicContact CZ2-CD1 4.08Å; W267-I302 HydrophobicContact CZ3-CD1 3.88Å; W267-I302 HydrophobicContact CZ3-CG1 3.91Å; W267-A335 HydrophobicContact CE3-CB 4.25Å; W267-A335 WeakPolarHBondContact CZ3-O 3.48Å; W267-N337 HydrophobicContact CD2-CB 4.47Å
268	V	95.3	Very high	90	Very high	22 Å²	22	46.1 Å²	46.1	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.8	171.1	-175.7	0	0	0	0	107.7	V145 V147 Y264 F270 A335 F336	V145-V268 HydrophobicContact CB-CG1 4.42Å; V145-V268 HydrophobicContact CB-CG2 4.3Å; V145-V268 HydrophobicContact CG1-CG1 4.14Å; V145-V268 WeakPolarHBondContact O-CA 3.47Å; V147-V268 HydrophobicContact CB-CG1 4.39Å; V147-V268 HydrophobicContact CG2-CG1 3.56Å; Y264-V268 HydrophobicContact CD1-CG2 4.1Å; Y264-V268 HydrophobicContact CE1-CG2 3.75Å; V268-F270 HydrophobicContact CB-CE2 3.98Å; V268-F270 HydrophobicContact CB-CZ 4.06Å; V268-F270 HydrophobicContact CG1-CD2 4.47Å; V268-F270 HydrophobicContact CG1-CE1 4.03Å; V268-F270 HydrophobicContact CG1-CE2 3.85Å; V268-F270 HydrophobicContact CG1-CZ 3.61Å; V268-A335 CarbonylContact O-C 3.55Å; V268-A335 WeakPolarHBondContact O-CA 3.49Å; V268-A335 WeakPolarHBondContact O-CB 3.5Å; V268-F336 PolarHBondContact N-O 2.63Å; V268-F336 PolarHBondContact O-N 3.24Å; V268-F336 VanDerWaalsContact O-N 3.09Å
269	V	97.4	Very high	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.5	175.2	-169.5	0	0	0	0	109.3	V145 V146 V147 F281 F285 L304 A335	V145-V269 PolarHBondContact O-N 2.71Å; V146-V269 CarbonylContact C-O 3.51Å; V146-V269 WeakPolarHBondContact CA-O 3.32Å; V146-V269 HydrophobicContact CG2-CB 4.3Å; V147-V269 PolarHBondContact N-O 3.25Å; V269-F281 HydrophobicContact CG1-CE2 4.31Å; V269-F281 HydrophobicContact CG1-CZ 3.82Å; V269-F285 HydrophobicContact CG2-CD1 4.15Å; V269-F285 HydrophobicContact CG2-CD2 4.21Å; V269-F285 HydrophobicContact CG2-CE1 3.66Å; V269-F285 HydrophobicContact CG2-CE2 3.74Å; V269-F285 HydrophobicContact CG2-CG 4.37Å; V269-F285 HydrophobicContact CG2-CZ 3.4Å; V269-F285 VanDerWaalsContact CG2-CZ 3.4Å; V269-L304 HydrophobicContact CG1-CD1 4.09Å; V269-A335 HydrophobicContact CB-CB 4.21Å; V269-A335 HydrophobicContact CG1-CB 4.32Å; V269-A335 HydrophobicContact CG2-CB 3.85Å
270	F	96.7	Very high	92.5	Very high	58 Å²	58	41.6 Å²	41.6	25%	0.254	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128	-179.8	-61.5	-88.3	0	0	0	110.6	V147 V268 G333 M334 F336	V147-F270 HydrophobicContact CB-CD1 4.07Å; V147-F270 HydrophobicContact CB-CE1 4.27Å; V147-F270 HydrophobicContact CG1-CD1 4.42Å; V147-F270 HydrophobicContact CG2-CE1 4.43Å; V147-F270 WeakPolarHBondContact O-CA 3.25Å; V268-F270 HydrophobicContact CB-CE2 3.98Å; V268-F270 HydrophobicContact CB-CZ 4.06Å; V268-F270 HydrophobicContact CG1-CD2 4.47Å; V268-F270 HydrophobicContact CG1-CE1 4.03Å; V268-F270 HydrophobicContact CG1-CE2 3.85Å; V268-F270 HydrophobicContact CG1-CZ 3.61Å; F270-G333 WeakPolarHBondContact O-CA 3.34Å; F270-M334 HydrophobicContact CB-CE 4.41Å; F270-M334 HydrophobicContact CB-CG 4.39Å; F270-M334 HydrophobicContact CD2-CE 4.41Å; F270-M334 HydrophobicContact CG-CE 4.47Å; F270-M334 PolarHBondContact N-O 2.84Å; F270-F336 HydrophobicContact CD2-CD1 4.21Å; F270-F336 AromaticContact CD2-CE1 3.74Å; F270-F336 HydrophobicContact CD2-CE1 3.74Å; F270-F336 HydrophobicContact CD2-CZ 4.11Å; F270-F336 AromaticContact CE2-CD1 3.83Å; F270-F336 HydrophobicContact CE2-CD1 3.83Å; F270-F336 HydrophobicContact CE2-CD2 4.22Å; F270-F336 AromaticContact CE2-CE1 3.31Å; F270-F336 HydrophobicContact CE2-CE1 3.31Å; F270-F336 AromaticContact CE2-CE2 3.73Å; F270-F336 HydrophobicContact CE2-CE2 3.73Å; F270-F336 HydrophobicContact CE2-CG 4.26Å; F270-F336 AromaticContact CE2-CZ 3.25Å; F270-F336 HydrophobicContact CE2-CZ 3.25Å; F270-F336 HydrophobicContact CZ-CE1 4.04Å; F270-F336 AromaticContact CZ-CE2 3.94Å; F270-F336 HydrophobicContact CZ-CE2 3.94Å; F270-F336 AromaticContact CZ-CZ 3.53Å; F270-F336 HydrophobicContact CZ-CZ 3.53Å
271	L	97.7	Very high	93.5	Very high	4 Å²	4	36 Å²	36	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159.4	177.3	-60.5	176.1	0	0	0	109.8	V146 V147 V148 Q149 L160 V277 F281 V385	V146-L271 HydrophobicContact CG1-CD1 3.66Å; V146-L271 HydrophobicContact CG1-CG 4.22Å; V147-L271 PolarHBondContact O-N 3.16Å; V148-L271 CarbonylContact C-O 3.54Å; V148-L271 WeakPolarHBondContact CA-O 3.49Å; V148-L271 HydrophobicContact CG2-CB 4.34Å; Q149-L271 PolarHBondContact N-O 3.04Å; L160-L271 HydrophobicContact CD1-CD1 4.15Å; L271-V277 HydrophobicContact CD1-CG1 4.1Å; L271-V277 HydrophobicContact CD2-CG1 4.48Å; L271-F281 HydrophobicContact CD1-CZ 4.23Å; L271-F281 HydrophobicContact CD2-CZ 4.44Å; L271-V385 HydrophobicContact CD2-CG1 3.8Å; L271-V385 HydrophobicContact CD2-CG2 3.89Å
272	E	95.9	Very high	94.4	Very high	42 Å²	42	35 Å²	35	20%	0.196	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	155.4	170.9	-61.8	-176.7	-160.7	0	0	108.4	L160 D274 H275	L160-E272 WeakPolarHBondContact CD2-O 3.35Å; E272-D274 PolarHBondContact O-N 3.39Å; E272-D274 VanDerWaalsContact O-N 3.09Å; E272-H275 PolarHBondContact N-CE1 3.41Å; E272-H275 PolarHBondContact N-ND1 3.4Å; E272-H275 WeakPolarHBondContact O-CB 3.2Å; E272-H275 PolarHBondContact O-N 3.09Å
273	E	96.3	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21	-176.6	57.8	166.4	-151.9	0	0	114.8	Q149 H151 R153 Y156 L157	Q149-E273 PolarHBondContact O-N 3.16Å; H151-E273 WeakPolarHBondContact CA-OE2 3.41Å; H151-E273 WeakPolarHBondContact CB-OE1 3.06Å; H151-E273 PolarHBondContact N-OE2 3.31Å; R153-E273 VanDerWaalsContact CB-OE1 3.26Å; R153-E273 WeakPolarHBondContact CB-OE1 3.32Å; R153-E273 WeakPolarHBondContact CG-OE1 3.49Å; R153-E273 IonicContact CZ-OE1 3.58Å; R153-E273 PolarHBondContact N-OE1 3.37Å; R153-E273 PolarHBondContact N-OE2 3.21Å; R153-E273 IonicContact NE-OE1 3.85Å; R153-E273 PolarHBondContact NE-OE1 3.46Å; R153-E273 IonicContact NH2-OE1 2.68Å; R153-E273 PolarHBondContact NH2-OE1 2.87Å; R153-E273 VanDerWaalsContact NH2-OE1 3.17Å; Y156-E273 CarbonylContact C-O 3.38Å; Y156-E273 WeakPolarHBondContact CB-O 3.44Å; Y156-E273 VanDerWaalsContact O-O 3.13Å; L157-E273 HydrophobicContact CB-CB 4.28Å; L157-E273 HydrophobicContact CD1-CB 4.05Å; L157-E273 PolarHBondContact N-O 2.97Å
274	D	95.3	Very high	95.8	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.043	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	25	174.8	60.8	6.4	0	0	0	114.1	R153 Y156 E272 H387 I388 G389	R153-D274 IonicContact CZ-OD2 3.45Å; R153-D274 IonicContact NH1-OD2 2.88Å; R153-D274 PolarHBondContact NH1-OD2 3.31Å; R153-D274 IonicContact NH2-OD1 3.03Å; R153-D274 IonicContact NH2-OD2 3.94Å; R153-D274 PolarHBondContact NH2-OD2 3.26Å; Y156-D274 HydrophobicContact CD1-CB 3.72Å; Y156-D274 HydrophobicContact CE1-CB 4.38Å; Y156-D274 HydrophobicContact CG-CB 3.95Å; E272-D274 PolarHBondContact O-N 3.39Å; E272-D274 VanDerWaalsContact O-N 3.09Å; D274-H387 IonicContact OD1-CD2 3.78Å; D274-H387 PolarHBondContact OD1-CD2 2.99Å; D274-H387 IonicContact OD1-NE2 2.71Å; D274-H387 IonicContact OD2-CD2 2.81Å; D274-H387 IonicContact OD2-NE2 3.85Å; D274-H387 PolarHBondContact OD2-NE2 3.26Å; D274-H387 VanDerWaalsContact OD2-NE2 3.09Å; D274-I388 HydrophobicContact CB-CG1 4.44Å; D274-I388 WeakPolarHBondContact O-CG1 3.44Å; D274-I388 PolarHBondContact O-N 2.72Å; D274-G389 WeakPolarHBondContact OD2-CA 3.3Å
275	H	97.6	Very high	96.3	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.014	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	155.4	163.2	-67.8	165.1	0	0	0	112	L160 E272 V385 F386	L160-H275 WeakPolarHBondContact CA-O 2.97Å; L160-H275 VanDerWaalsContact CB-O 3.27Å; L160-H275 WeakPolarHBondContact CB-O 3.03Å; L160-H275 HydrophobicContact CD1-CB 4.3Å; L160-H275 WeakPolarHBondContact CD1-O 3.28Å; E272-H275 PolarHBondContact N-CE1 3.41Å; E272-H275 PolarHBondContact N-ND1 3.4Å; E272-H275 WeakPolarHBondContact O-CB 3.2Å; E272-H275 PolarHBondContact O-N 3.09Å; H275-V385 HydrophobicContact CB-CG1 3.84Å; H275-F386 CarbonylContact C-O 3.58Å; H275-F386 VanDerWaalsContact CA-O 3.25Å; H275-F386 WeakPolarHBondContact CA-O 3.44Å
276	Y	97.4	Very high	96.6	Very high	18 Å²	18	16.9 Å²	16.9	7%	0.071	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.4	165.7	-170.4	-77.8	0	0	0	107.8	K159 S163 V385 F386 A406 V409 V410 L413	K159-Y276 HydrophobicContact CB-CD2 4.4Å; S163-Y276 VanDerWaalsContact CB-CZ 3.41Å; Y276-V385 WeakPolarHBondContact O-CA 3.33Å; Y276-F386 PolarHBondContact N-O 2.93Å; Y276-F386 WeakPolarHBondContact O-CD2 3.35Å; Y276-F386 PolarHBondContact O-N 3.22Å; Y276-A406 HydrophobicContact CD2-CB 4.01Å; Y276-A406 HydrophobicContact CE2-CB 4.2Å; Y276-V409 HydrophobicContact CD1-CB 4.32Å; Y276-V409 HydrophobicContact CD1-CG1 3.53Å; Y276-V409 HydrophobicContact CE1-CG1 4.01Å; Y276-V409 HydrophobicContact CG-CG1 4.15Å; Y276-V410 HydrophobicContact CE1-CG2 4.36Å; Y276-V410 HydrophobicContact CE2-CG2 4.22Å; Y276-V410 VanDerWaalsContact OH-CG2 3.24Å; Y276-V410 WeakPolarHBondContact OH-CG2 3.36Å; Y276-L413 HydrophobicContact CD1-CD1 4.44Å; Y276-L413 HydrophobicContact CE1-CD1 3.97Å
277	V	98.2	Very high	96.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.7	-179.9	-55	0	0	0	0	113	L160 S163 L164 L271 F281 R384 V385	L160-V277 HydrophobicContact CD1-CG1 4.1Å; S163-V277 WeakPolarHBondContact CB-O 3.45Å; S163-V277 WeakPolarHBondContact OG-CG2 3.41Å; S163-V277 PolarHBondContact OG-N 2.79Å; L164-V277 HydrophobicContact CD2-CG1 4.49Å; L164-V277 HydrophobicContact CD2-CG2 3.81Å; L164-V277 HydrophobicContact CG-CG2 4.04Å; L271-V277 HydrophobicContact CD1-CG1 4.1Å; L271-V277 HydrophobicContact CD2-CG1 4.48Å; V277-F281 HydrophobicContact CB-CB 3.93Å; V277-F281 HydrophobicContact CB-CD1 4.16Å; V277-F281 HydrophobicContact CB-CD2 4.15Å; V277-F281 HydrophobicContact CB-CG 3.84Å; V277-F281 HydrophobicContact CG1-CD1 4.25Å; V277-F281 HydrophobicContact CG1-CD2 4.08Å; V277-F281 HydrophobicContact CG1-CE1 4.38Å; V277-F281 HydrophobicContact CG1-CE2 4.18Å; V277-F281 HydrophobicContact CG1-CG 4.12Å; V277-F281 HydrophobicContact CG1-CZ 4.34Å; V277-F281 HydrophobicContact CG2-CB 4.29Å; V277-F281 HydrophobicContact CG2-CD1 4.23Å; V277-F281 HydrophobicContact CG2-CG 4.31Å; V277-R384 CarbonylContact C-O 3.48Å; V277-R384 VanDerWaalsContact CA-O 3.22Å; V277-R384 WeakPolarHBondContact CA-O 3.35Å; V277-V385 HydrophobicContact CG1-CG2 4.23Å
278	S	97.2	Very high	96.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.			trans	-75.2	158	174.1	65.6	0	0	0	0	112.1	D280 F281 R384	S278-D280 WeakPolarHBondContact CB-OD1 3.44Å; S278-D280 PolarHBondContact O-N 3.34Å; S278-D280 VanDerWaalsContact O-N 3.15Å; S278-D280 PolarHBondContact OG-OD1 3.23Å; S278-F281 WeakPolarHBondContact O-CB 3.44Å; S278-F281 PolarHBondContact O-N 2.85Å; S278-F281 PolarHBondContact OG-N 2.98Å; S278-R384 PolarHBondContact N-O 3.04Å; S278-R384 WeakPolarHBondContact OG-CA 3.44Å; S278-R384 WeakPolarHBondContact OG-CB 3.49Å; S278-R384 VanDerWaalsContact OG-CG 3.26Å; S278-R384 WeakPolarHBondContact OG-CG 2.99Å
279	P	97.5	Very high	96.9	Very high	31 Å²	31	14.4 Å²	14.4	20%	0.201	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.6	175.7	-27.5	34.8	0	0	0	114.5	N167 P168 L420 F421	N167-P279 PolarHBondContact ND2-O 2.81Å; P168-P279 WeakPolarHBondContact CD-O 3.23Å; P279-L420 HydrophobicContact CG-CD1 4.26Å; P279-F421 HydrophobicContact CB-CE2 4.28Å; P279-F421 HydrophobicContact CB-CZ 4.11Å; P279-F421 WeakPolarHBondContact O-CZ 3.29Å
280	D	97.3	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	14	179	75.4	-27.5	0	0	0	113.7	S278 Y283 S284 R384 L420 F421	S278-D280 WeakPolarHBondContact CB-OD1 3.44Å; S278-D280 PolarHBondContact O-N 3.34Å; S278-D280 VanDerWaalsContact O-N 3.15Å; S278-D280 PolarHBondContact OG-OD1 3.23Å; D280-Y283 PolarHBondContact O-N 3.09Å; D280-S284 VanDerWaalsContact O-CB 3.3Å; D280-S284 WeakPolarHBondContact O-CB 2.94Å; D280-S284 PolarHBondContact O-N 3.4Å; D280-S284 PolarHBondContact O-OG 3.06Å; D280-S284 PolarHBondContact OD2-OG 2.79Å; D280-S284 VanDerWaalsContact OD2-OG 3.11Å; D280-R384 IonicContact OD1-NE 3.19Å; D280-R384 PolarHBondContact OD1-NE 2.94Å; D280-R384 IonicContact OD2-CZ 2.83Å; D280-R384 IonicContact OD2-NE 3.7Å; D280-R384 PolarHBondContact OD2-NE 3.08Å; D280-R384 VanDerWaalsContact OD2-NE 3.15Å; D280-R384 IonicContact OD2-NH2 3.09Å; D280-R384 PolarHBondContact OD2-NH2 2.89Å; D280-L420 HydrophobicContact CB-CB 4.28Å; D280-F421 HydrophobicContact CB-CD1 3.63Å; D280-F421 HydrophobicContact CB-CD2 3.91Å; D280-F421 HydrophobicContact CB-CE1 3.63Å; D280-F421 HydrophobicContact CB-CE2 3.89Å; D280-F421 HydrophobicContact CB-CG 3.77Å; D280-F421 HydrophobicContact CB-CZ 3.76Å; D280-F421 PolarHBondContact OD2-N 3.18Å; D280-F421 VanDerWaalsContact OD2-N 3.1Å
281	F	98.1	Very high	96.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-53.7	-59.4	-177.4	164.7	-105.3	0	0	0	113.1	L164 N167 V269 L271 V277 S278 Y283 S284 F285 L304 R384 V385	L164-F281 HydrophobicContact CD2-CD1 4.49Å; L164-F281 HydrophobicContact CD2-CE1 4.31Å; N167-F281 PolarHBondContact ND2-N 2.74Å; V269-F281 HydrophobicContact CG1-CE2 4.31Å; V269-F281 HydrophobicContact CG1-CZ 3.82Å; L271-F281 HydrophobicContact CD1-CZ 4.23Å; L271-F281 HydrophobicContact CD2-CZ 4.44Å; V277-F281 HydrophobicContact CB-CB 3.93Å; V277-F281 HydrophobicContact CB-CD1 4.16Å; V277-F281 HydrophobicContact CB-CD2 4.15Å; V277-F281 HydrophobicContact CB-CG 3.84Å; V277-F281 HydrophobicContact CG1-CD1 4.25Å; V277-F281 HydrophobicContact CG1-CD2 4.08Å; V277-F281 HydrophobicContact CG1-CE1 4.38Å; V277-F281 HydrophobicContact CG1-CE2 4.18Å; V277-F281 HydrophobicContact CG1-CG 4.12Å; V277-F281 HydrophobicContact CG1-CZ 4.34Å; V277-F281 HydrophobicContact CG2-CB 4.29Å; V277-F281 HydrophobicContact CG2-CD1 4.23Å; V277-F281 HydrophobicContact CG2-CG 4.31Å; S278-F281 WeakPolarHBondContact O-CB 3.44Å; S278-F281 PolarHBondContact O-N 2.85Å; S278-F281 PolarHBondContact OG-N 2.98Å; F281-Y283 PolarHBondContact O-N 2.84Å; F281-S284 PolarHBondContact O-N 2.99Å; F281-F285 VanDerWaalsContact O-CB 3.31Å; F281-F285 WeakPolarHBondContact O-CB 3.47Å; F281-F285 PolarHBondContact O-N 3.38Å; F281-L304 HydrophobicContact CD2-CD1 3.9Å; F281-L304 HydrophobicContact CE2-CB 4.28Å; F281-L304 HydrophobicContact CE2-CD1 3.31Å; F281-L304 HydrophobicContact CE2-CG 4.39Å; F281-L304 HydrophobicContact CZ-CD1 4.04Å; F281-R384 HydrophobicContact CB-CB 4.22Å; F281-R384 HydrophobicContact CD2-CB 3.95Å; F281-V385 HydrophobicContact CD2-CG2 3.78Å; F281-V385 HydrophobicContact CE2-CG2 3.47Å; F281-V385 VanDerWaalsContact CE2-CG2 3.47Å
282	L	98	Very high	96.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-35.2	179.5	-64.8	173.8	0	0	0	112.5	V146 N167 L169 I170 V173 F285 N286	V146-L282 HydrophobicContact CG2-CD2 4.43Å; N167-L282 HydrophobicContact CB-CD1 4.33Å; N167-L282 PolarHBondContact ND2-N 3.47Å; N167-L282 WeakPolarHBondContact OD1-CB 3.39Å; L169-L282 HydrophobicContact CB-CB 4.01Å; L169-L282 HydrophobicContact CB-CD1 4.04Å; L169-L282 HydrophobicContact CD1-CB 4.32Å; I170-L282 HydrophobicContact CD1-CD1 4.2Å; V173-L282 HydrophobicContact CG2-CD1 3.5Å; V173-L282 HydrophobicContact CG2-CD2 3.84Å; V173-L282 HydrophobicContact CG2-CG 4.34Å; L282-F285 PolarHBondContact O-N 3.24Å; L282-N286 WeakPolarHBondContact O-CB 3.39Å; L282-N286 PolarHBondContact O-N 3.46Å
283	Y	97.4	Very high	95.9	Very high	65 Å²	65	22.7 Å²	22.7	26%	0.255	12%	0.124	S	C	.	.	H	α-helix	trans	-60.3	-50	176.6	171	-86.9	0	0	0	111.3	D280 F281 N286 S287 F421 P422	D280-Y283 PolarHBondContact O-N 3.09Å; F281-Y283 PolarHBondContact O-N 2.84Å; Y283-N286 PolarHBondContact O-N 3.45Å; Y283-S287 PolarHBondContact O-N 2.86Å; Y283-F421 HydrophobicContact CD1-CB 4.27Å; Y283-F421 AromaticContact CD1-CD1 3.92Å; Y283-F421 HydrophobicContact CD1-CD1 3.92Å; Y283-F421 HydrophobicContact CD2-CD1 4.09Å; Y283-F421 HydrophobicContact CE1-CB 4.14Å; Y283-F421 AromaticContact CG-CD1 3.7Å; Y283-F421 HydrophobicContact CG-CD1 3.7Å; Y283-F421 HydrophobicContact CG-CE1 4.36Å; Y283-P422 VanDerWaalsContact CE1-O 3.22Å; Y283-P422 WeakPolarHBondContact CE1-O 3.4Å; Y283-P422 PolarHBondContact OH-O 2.64Å
284	S	97.2	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-42.5	-180	-57.3	0	0	0	0	110.8	D280 F281 S287 I288 R384	D280-S284 VanDerWaalsContact O-CB 3.3Å; D280-S284 WeakPolarHBondContact O-CB 2.94Å; D280-S284 PolarHBondContact O-N 3.4Å; D280-S284 PolarHBondContact O-OG 3.06Å; D280-S284 PolarHBondContact OD2-OG 2.79Å; D280-S284 VanDerWaalsContact OD2-OG 3.11Å; F281-S284 PolarHBondContact O-N 2.99Å; S284-S287 PolarHBondContact O-N 3.26Å; S284-I288 WeakPolarHBondContact O-CG1 2.93Å; S284-I288 PolarHBondContact O-N 3.39Å; S284-I288 VanDerWaalsContact O-N 3.15Å; S284-R384 PolarHBondContact OG-NE 2.64Å; S284-R384 PolarHBondContact OG-NH2 3.17Å
285	F	97.6	Very high	95.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-48.4	175.3	174.1	-113.3	0	0	0	111.9	Y144 W267 V269 F281 L282 S287 I288 A289 I302 L304 A335	Y144-F285 HydrophobicContact CD1-CD1 4.02Å; Y144-F285 AromaticContact CD1-CE1 3.52Å; Y144-F285 HydrophobicContact CD1-CE1 3.52Å; Y144-F285 HydrophobicContact CE1-CD1 4.29Å; Y144-F285 HydrophobicContact CE1-CE1 4.1Å; Y144-F285 HydrophobicContact CG-CD1 4.42Å; Y144-F285 HydrophobicContact CG-CE1 4.08Å; W267-F285 HydrophobicContact CB-CE1 4.31Å; W267-F285 HydrophobicContact CB-CE2 4.37Å; W267-F285 HydrophobicContact CB-CZ 3.51Å; W267-F285 HydrophobicContact CG-CZ 4.09Å; V269-F285 HydrophobicContact CG2-CD1 4.15Å; V269-F285 HydrophobicContact CG2-CD2 4.21Å; V269-F285 HydrophobicContact CG2-CE1 3.66Å; V269-F285 HydrophobicContact CG2-CE2 3.74Å; V269-F285 HydrophobicContact CG2-CG 4.37Å; V269-F285 HydrophobicContact CG2-CZ 3.4Å; V269-F285 VanDerWaalsContact CG2-CZ 3.4Å; F281-F285 VanDerWaalsContact O-CB 3.31Å; F281-F285 WeakPolarHBondContact O-CB 3.47Å; F281-F285 PolarHBondContact O-N 3.38Å; L282-F285 PolarHBondContact O-N 3.24Å; F285-S287 PolarHBondContact O-N 3.01Å; F285-I288 PolarHBondContact O-N 3.23Å; F285-A289 VanDerWaalsContact O-CB 3.32Å; F285-A289 WeakPolarHBondContact O-CB 3.25Å; F285-A289 PolarHBondContact O-N 2.72Å; F285-I302 HydrophobicContact CD2-CD1 4.18Å; F285-I302 HydrophobicContact CD2-CG2 4.3Å; F285-I302 HydrophobicContact CE2-CD1 3.83Å; F285-L304 HydrophobicContact CB-CD1 4.04Å; F285-L304 HydrophobicContact CB-CD2 4.26Å; F285-L304 HydrophobicContact CD2-CD1 3.85Å; F285-L304 HydrophobicContact CD2-CD2 4.41Å; F285-L304 HydrophobicContact CG-CD1 4.2Å; F285-A335 HydrophobicContact CE2-CB 3.59Å; F285-A335 HydrophobicContact CZ-CB 4.1Å
286	N	95.5	Very high	95.2	Very high	38 Å²	38	29.9 Å²	29.9	20%	0.203	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-49.1	177.9	-176.7	61.7	0	0	0	111.8	Y144 L282 Y283 I288 A289 D290	Y144-N286 HydrophobicContact CE1-CB 4.45Å; Y144-N286 VanDerWaalsContact OH-CB 3.31Å; Y144-N286 WeakPolarHBondContact OH-CB 3.31Å; Y144-N286 PolarHBondContact OH-OD1 2.03Å; L282-N286 WeakPolarHBondContact O-CB 3.39Å; L282-N286 PolarHBondContact O-N 3.46Å; Y283-N286 PolarHBondContact O-N 3.45Å; N286-I288 PolarHBondContact O-N 2.76Å; N286-A289 PolarHBondContact O-N 3.49Å; N286-A289 VanDerWaalsContact O-N 3.15Å; N286-D290 PolarHBondContact ND2-OD2 2.76Å; N286-D290 WeakPolarHBondContact O-CB 3.43Å; N286-D290 PolarHBondContact O-N 2.79Å; N286-D290 PolarHBondContact OD1-OD1 2.75Å; N286-D290 PolarHBondContact OD1-OD2 3.38Å
287	S	95.4	Very high	94.9	Very high	18 Å²	18	37.4 Å²	37.4	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-35.5	-178.7	-175.8	0	0	0	0	112.6	Y283 S284 F285 Q291 F425	Y283-S287 PolarHBondContact O-N 2.86Å; S284-S287 PolarHBondContact O-N 3.26Å; F285-S287 PolarHBondContact O-N 3.01Å; S287-Q291 WeakPolarHBondContact O-CG 3.15Å; S287-F425 WeakPolarHBondContact OG-CD2 3.43Å
288	I	96	Very high	94.4	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-76.8	-45.6	176.4	-67.1	-54.7	0	0	0	111.3	S284 F285 N286 D290 Q291 M292 I302 Y320 L378 L380 F425	S284-I288 WeakPolarHBondContact O-CG1 2.93Å; S284-I288 PolarHBondContact O-N 3.39Å; S284-I288 VanDerWaalsContact O-N 3.15Å; F285-I288 PolarHBondContact O-N 3.23Å; N286-I288 PolarHBondContact O-N 2.76Å; I288-D290 VanDerWaalsContact C-N 3.34Å; I288-D290 PolarHBondContact O-N 3.25Å; I288-Q291 PolarHBondContact O-N 3.31Å; I288-M292 HydrophobicContact CG2-CE 4.02Å; I288-M292 PolarHBondContact O-N 3.47Å; I288-I302 HydrophobicContact CG2-CD1 3.79Å; I288-I302 HydrophobicContact CG2-CG1 3.9Å; I288-I302 HydrophobicContact CG2-CG2 4.1Å; I288-Y320 HydrophobicContact CD1-CD1 4.23Å; I288-L378 HydrophobicContact CD1-CD2 4.1Å; I288-L378 HydrophobicContact CG1-CD2 4.26Å; I288-L378 HydrophobicContact CG2-CD1 3.82Å; I288-L378 HydrophobicContact CG2-CD2 3.65Å; I288-L378 HydrophobicContact CG2-CG 4.24Å; I288-L380 HydrophobicContact CD1-CD2 3.92Å; I288-L380 HydrophobicContact CG1-CD2 3.72Å; I288-F425 HydrophobicContact CD1-CB 3.94Å; I288-F425 HydrophobicContact CD1-CD1 4.18Å; I288-F425 HydrophobicContact CD1-CD2 4.18Å; I288-F425 HydrophobicContact CD1-CG 3.84Å
289	A	95.2	Very high	94.3	Very high	13 Å²	13	41.8 Å²	41.8	11%	0.107	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-43.2	-178.2	0	0	0	0	0	111.9	W267 F285 N286 Q291 M292 I302	W267-A289 HydrophobicContact CG-CB 4.48Å; F285-A289 VanDerWaalsContact O-CB 3.32Å; F285-A289 WeakPolarHBondContact O-CB 3.25Å; F285-A289 PolarHBondContact O-N 2.72Å; N286-A289 PolarHBondContact O-N 3.49Å; N286-A289 VanDerWaalsContact O-N 3.15Å; A289-Q291 VanDerWaalsContact C-N 3.26Å; A289-Q291 PolarHBondContact O-N 3.28Å; A289-M292 WeakPolarHBondContact O-CB 3.25Å; A289-M292 PolarHBondContact O-N 3.18Å; A289-I302 HydrophobicContact CB-CD1 4.1Å
290	D	92.9	Very high	94.3	Very high	102 Å²	102	41.7 Å²	41.7	55%	0.545	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-28.5	179.4	-75.7	-15.8	0	0	0	113.1	N286 I288	N286-D290 PolarHBondContact ND2-OD2 2.76Å; N286-D290 WeakPolarHBondContact O-CB 3.43Å; N286-D290 PolarHBondContact O-N 2.79Å; N286-D290 PolarHBondContact OD1-OD1 2.75Å; N286-D290 PolarHBondContact OD1-OD2 3.38Å; I288-D290 VanDerWaalsContact C-N 3.34Å; I288-D290 PolarHBondContact O-N 3.25Å
291	Q	91.2	Very high	94.3	Very high	82 Å²	82	41.7 Å²	41.7	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-102.7	-1.6	-177.1	-61.5	178.8	6.7	0	0	112.8	S287 I288 A289 S293 S294 V295	S287-Q291 WeakPolarHBondContact O-CG 3.15Å; I288-Q291 PolarHBondContact O-N 3.31Å; A289-Q291 VanDerWaalsContact C-N 3.26Å; A289-Q291 PolarHBondContact O-N 3.28Å; Q291-S293 VanDerWaalsContact C-N 3.29Å; Q291-S293 PolarHBondContact O-N 3.29Å; Q291-S294 PolarHBondContact O-N 2.88Å; Q291-S294 VanDerWaalsContact O-N 3.1Å; Q291-S294 PolarHBondContact O-OG 3.43Å; Q291-V295 HydrophobicContact CB-CG2 4.19Å; Q291-V295 WeakPolarHBondContact O-CB 3.41Å; Q291-V295 WeakPolarHBondContact O-CG2 3.42Å; Q291-V295 PolarHBondContact O-N 3.01Å
292	M	92.3	Very high	94.3	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-43.2	-172.6	-176.3	61.7	77.6	0	0	112.1	W267 I288 A289 S294 V295 C296 C299 I302 L378	W267-M292 HydrophobicContact CH2-CE 4.09Å; W267-M292 HydrophobicContact CH2-CG 4.24Å; W267-M292 HydrophobicContact CZ2-CB 4.21Å; W267-M292 HydrophobicContact CZ2-CE 4.39Å; W267-M292 HydrophobicContact CZ2-CG 3.95Å; I288-M292 HydrophobicContact CG2-CE 4.02Å; I288-M292 PolarHBondContact O-N 3.47Å; A289-M292 WeakPolarHBondContact O-CB 3.25Å; A289-M292 PolarHBondContact O-N 3.18Å; M292-S294 VanDerWaalsContact C-N 3.29Å; M292-S294 PolarHBondContact O-N 3.27Å; M292-V295 PolarHBondContact O-N 3.33Å; M292-C296 CarbonylContact O-C 3.52Å; M292-C296 VanDerWaalsContact O-C 3.27Å; M292-C296 PolarHBondContact O-N 2.93Å; M292-C296 HydrophobicContact SD-CB 4.14Å; M292-C299 HydrophobicContact CE-CB 4.29Å; M292-C299 HydrophobicContact CG-CB 4.48Å; M292-C299 HydrophobicContact SD-CB 3.42Å; M292-C299 WeakPolarHBondContact SD-CB 3.33Å; M292-I302 HydrophobicContact CE-CD1 3.67Å; M292-I302 HydrophobicContact CE-CG1 3.16Å; M292-L378 HydrophobicContact CE-CB 3.9Å; M292-L378 HydrophobicContact CE-CD1 4.12Å; M292-L378 HydrophobicContact SD-CD1 4.28Å
293	S	90.1	Very high	94.3	Very high	84 Å²	84	41.7 Å²	41.7	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-67.3	-25.7	-178.4	57.8	0	0	0	0	114	Q291 Q297	Q291-S293 VanDerWaalsContact C-N 3.29Å; Q291-S293 PolarHBondContact O-N 3.29Å; S293-Q297 WeakPolarHBondContact O-CG 3.39Å
294	S	91.5	Very high	94.3	Very high	99 Å²	99	38.6 Å²	38.6	69%	0.692	22%	0.218	S	C	*	.	H	α-helix	trans	-89.7	-32.8	176.9	61.6	0	0	0	0	112.1	Q291 M292	Q291-S294 PolarHBondContact O-N 2.88Å; Q291-S294 VanDerWaalsContact O-N 3.1Å; Q291-S294 PolarHBondContact O-OG 3.43Å; M292-S294 VanDerWaalsContact C-N 3.29Å; M292-S294 PolarHBondContact O-N 3.27Å
295	V	91.1	Very high	94.2	Very high	50 Å²	50	38.6 Å²	38.6	30%	0.303	22%	0.218	S	C	.	.	H	α-helix	trans	-85.9	-38.5	-176.5	170.6	0	0	0	0	112.6	Q291 M292 Y320 I322 L378	Q291-V295 HydrophobicContact CB-CG2 4.19Å; Q291-V295 WeakPolarHBondContact O-CB 3.41Å; Q291-V295 WeakPolarHBondContact O-CG2 3.42Å; Q291-V295 PolarHBondContact O-N 3.01Å; M292-V295 PolarHBondContact O-N 3.33Å; V295-Y320 HydrophobicContact CG1-CE2 3.66Å; V295-Y320 WeakPolarHBondContact CG1-OH 3.37Å; V295-I322 HydrophobicContact CG1-CD1 4.2Å; V295-L378 HydrophobicContact CG1-CD1 4.34Å
296	C	92.6	Very high	93.6	Very high	13 Å²	13	40 Å²	40	9%	0.088	23%	0.228	C	C	.	.			trans	-156.9	85.1	-173.4	-173.1	0	0	0	0	111.9	M292 D298 C299 I322	M292-C296 CarbonylContact O-C 3.52Å; M292-C296 VanDerWaalsContact O-C 3.27Å; M292-C296 PolarHBondContact O-N 2.93Å; M292-C296 HydrophobicContact SD-CB 4.14Å; C296-D298 PolarHBondContact O-N 3.26Å; C296-C299 HydrophobicContact CB-CB 3.64Å; C296-C299 WeakPolarHBondContact CB-SG 3.32Å; C296-C299 WeakPolarHBondContact O-CB 3Å; C296-C299 PolarHBondContact O-N 3Å; C296-C299 VanDerWaalsContact SG-CA 3.59Å; C296-C299 WeakPolarHBondContact SG-CB 3.37Å; C296-C299 PolarHBondContact SG-N 3.28Å; C296-C299 CovalentContact SG-SG 2.03Å; C296-C299 PolarHBondContact SG-SG 3.38Å; C296-I322 HydrophobicContact CB-CD1 3.91Å
297	Q	90.3	Very high	92.9	Very high	175 Å²	175	42.7 Å²	42.7	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.5	177.4	-67.7	-179.4	1.4	0	0	113.6	S293	S293-Q297 WeakPolarHBondContact O-CG 3.39Å
298	D	88.6	Confident	91.4	Very high	79 Å²	79	47.1 Å²	47.1	42%	0.422	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.6	177.6	-75.7	-48.9	0	0	0	113.4	C296 H300 K373	C296-D298 PolarHBondContact O-N 3.26Å; D298-H300 PolarHBondContact O-CE1 3.07Å; D298-H300 PolarHBondContact O-ND1 2.94Å; D298-K373 IonicContact OD1-NZ 2.65Å; D298-K373 PolarHBondContact OD1-NZ 3.33Å; D298-K373 IonicContact OD2-NZ 3.22Å
299	C	95.3	Very high	89.4	Confident	15 Å²	15	53.2 Å²	53.2	10%	0.101	28%	0.28	C	S	.	.			trans	-80.6	131.7	179.2	-77	0	0	0	0	111.3	M292 C296 I322	M292-C299 HydrophobicContact CE-CB 4.29Å; M292-C299 HydrophobicContact CG-CB 4.48Å; M292-C299 HydrophobicContact SD-CB 3.42Å; M292-C299 WeakPolarHBondContact SD-CB 3.33Å; C296-C299 HydrophobicContact CB-CB 3.64Å; C296-C299 WeakPolarHBondContact CB-SG 3.32Å; C296-C299 WeakPolarHBondContact O-CB 3Å; C296-C299 PolarHBondContact O-N 3Å; C296-C299 VanDerWaalsContact SG-CA 3.59Å; C296-C299 WeakPolarHBondContact SG-CB 3.37Å; C296-C299 PolarHBondContact SG-N 3.28Å; C296-C299 CovalentContact SG-SG 2.03Å; C296-C299 PolarHBondContact SG-SG 3.38Å; C299-I322 VanDerWaalsContact SG-CG2 3.56Å
300	H	96.9	Very high	87.3	Confident	28 Å²	28	55.8 Å²	55.8	13%	0.13	29%	0.289	C	S	.	.			trans	-105.2	-26.9	-176.7	-62.1	75.2	0	0	0	112.1	D298 T340 L375 T376	D298-H300 PolarHBondContact O-CE1 3.07Å; D298-H300 PolarHBondContact O-ND1 2.94Å; H300-T340 HydrophobicContact CB-CG2 3.89Å; H300-T340 PolarHBondContact O-OG1 2.81Å; H300-L375 HydrophobicContact CB-CD2 3.86Å; H300-T376 PolarHBondContact N-O 2.82Å
301	I	97.6	Very high	85.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.4	-169.1	-64.6	172.3	0	0	0	109.9	W325 M334 A335 F336 L375 T376 T377 L378	I301-W325 HydrophobicContact CD1-CB 4.31Å; I301-W325 VanDerWaalsContact CD1-CD1 3.47Å; I301-W325 HydrophobicContact CD1-CD2 4.18Å; I301-W325 HydrophobicContact CD1-CG 3.74Å; I301-M334 HydrophobicContact CG2-CB 4.06Å; I301-A335 CarbonylContact C-O 3.55Å; I301-A335 VanDerWaalsContact CA-O 3.26Å; I301-A335 WeakPolarHBondContact CA-O 3.3Å; I301-F336 HydrophobicContact CG1-CB 4.3Å; I301-L375 HydrophobicContact CD1-CB 4.3Å; I301-L375 HydrophobicContact CD1-CD1 4.07Å; I301-T376 PolarHBondContact N-O 3.27Å; I301-T376 VanDerWaalsContact N-O 3.14Å; I301-T377 CarbonylContact O-C 3.38Å; I301-T377 VanDerWaalsContact O-CA 3.26Å; I301-T377 WeakPolarHBondContact O-CA 3.46Å; I301-T377 PolarHBondContact O-OG1 2.86Å; I301-L378 PolarHBondContact O-N 2.04Å
302	I	97.6	Very high	83.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131	161.2	-62.7	164.2	0	0	0	107.3	W267 F285 I288 A289 M292 L304 M334 A335 L378	W267-I302 HydrophobicContact CD2-CD1 4.17Å; W267-I302 HydrophobicContact CE3-CD1 4Å; W267-I302 HydrophobicContact CE3-CG1 4.44Å; W267-I302 HydrophobicContact CH2-CD1 3.94Å; W267-I302 HydrophobicContact CH2-CG1 4.03Å; W267-I302 HydrophobicContact CZ2-CD1 4.08Å; W267-I302 HydrophobicContact CZ3-CD1 3.88Å; W267-I302 HydrophobicContact CZ3-CG1 3.91Å; F285-I302 HydrophobicContact CD2-CD1 4.18Å; F285-I302 HydrophobicContact CD2-CG2 4.3Å; F285-I302 HydrophobicContact CE2-CD1 3.83Å; I288-I302 HydrophobicContact CG2-CD1 3.79Å; I288-I302 HydrophobicContact CG2-CG1 3.9Å; I288-I302 HydrophobicContact CG2-CG2 4.1Å; A289-I302 HydrophobicContact CB-CD1 4.1Å; M292-I302 HydrophobicContact CE-CD1 3.67Å; M292-I302 HydrophobicContact CE-CG1 3.16Å; I302-L304 HydrophobicContact CG2-CD2 3.93Å; I302-L304 HydrophobicContact CG2-CG 4.15Å; I302-M334 CarbonylContact O-C 3.04Å; I302-M334 VanDerWaalsContact O-CA 3.29Å; I302-M334 WeakPolarHBondContact O-CA 3.44Å; I302-A335 HydrophobicContact CB-CB 4.36Å; I302-A335 PolarHBondContact N-O 2.55Å; I302-A335 PolarHBondContact O-N 2.95Å; I302-L378 CarbonylContact C-O 3.57Å; I302-L378 WeakPolarHBondContact CA-O 3.22Å
303	T	97.3	Very high	81.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.7	175.2	-61.4	0	0	0	0	109.2	G305 H330 T377 L378 V379 L380	T303-G305 WeakPolarHBondContact CG2-O 3.33Å; T303-H330 HydrophobicContact CG2-CB 4.19Å; T303-H330 PolarHBondContact OG1-O 3.39Å; T303-T377 PolarHBondContact OG1-OG1 3.48Å; T303-L378 PolarHBondContact N-O 2.88Å; T303-V379 HydrophobicContact CG2-CG1 4.17Å; T303-L380 PolarHBondContact O-N 3.26Å; T303-L380 VanDerWaalsContact O-N 3.15Å
304	L	97.5	Very high	81	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.358	C	S	.	.			trans	-98.9	-16.2	-178.5	-60.4	168.7	0	0	0	112.6	V269 F281 F285 I302 G333 L380 P383 R384 V385	V269-L304 HydrophobicContact CG1-CD1 4.09Å; F281-L304 HydrophobicContact CD2-CD1 3.9Å; F281-L304 HydrophobicContact CE2-CB 4.28Å; F281-L304 HydrophobicContact CE2-CD1 3.31Å; F281-L304 HydrophobicContact CE2-CG 4.39Å; F281-L304 HydrophobicContact CZ-CD1 4.04Å; F285-L304 HydrophobicContact CB-CD1 4.04Å; F285-L304 HydrophobicContact CB-CD2 4.26Å; F285-L304 HydrophobicContact CD2-CD1 3.85Å; F285-L304 HydrophobicContact CD2-CD2 4.41Å; F285-L304 HydrophobicContact CG-CD1 4.2Å; I302-L304 HydrophobicContact CG2-CD2 3.93Å; I302-L304 HydrophobicContact CG2-CG 4.15Å; L304-G333 WeakPolarHBondContact CB-O 3.32Å; L304-G333 PolarHBondContact N-O 3.32Å; L304-L380 HydrophobicContact CD2-CD1 3.53Å; L304-L380 HydrophobicContact CD2-CG 4.22Å; L304-P383 CarbonylContact O-C 3.2Å; L304-P383 WeakPolarHBondContact O-CA 3.21Å; L304-R384 HydrophobicContact CB-CB 4.42Å; L304-R384 PolarHBondContact O-N 3.13Å; L304-V385 HydrophobicContact CB-CG2 3.79Å; L304-V385 PolarHBondContact O-N 3.14Å
305	G	94.5	Very high	80.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-102.8	165.1	178.4	0	0	0	0	0	114.3	T303 M332 V385	T303-G305 WeakPolarHBondContact CG2-O 3.33Å; G305-M332 WeakPolarHBondContact CA-O 3.34Å; G305-M332 PolarHBondContact N-O 3.16Å; G305-V385 WeakPolarHBondContact CA-O 3.28Å
306	S	85.8	Confident	80.7	Confident	31 Å²	31	76 Å²	76	22%	0.217	34%	0.344	C	S	.	.			trans	-152.1	133.9	166.2	-176.1	0	0	0	0	111.2	L308 M332	S306-L308 PolarHBondContact O-N 3.34Å; S306-L308 WeakPolarHBondContact OG-CB 3.34Å; S306-L308 PolarHBondContact OG-N 2.93Å; S306-M332 WeakPolarHBondContact O-CE 3.33Å
307	Y	80	Confident	80.7	Confident	93 Å²	93	75.6 Å²	75.6	37%	0.365	34%	0.341	S	S	.	.	S	Bend	trans	-75.3	-11.2	171.1	-61.9	-72.4	0	0	0	113.3	R309 S328 N331 M332 H387	Y307-R309 PolarHBondContact O-N 2.04Å; Y307-S328 WeakPolarHBondContact CD2-O 3.36Å; Y307-N331 WeakPolarHBondContact CE2-OD1 3.45Å; Y307-N331 PolarHBondContact OH-ND2 3.03Å; Y307-N331 PolarHBondContact OH-OD1 3.04Å; Y307-M332 HydrophobicContact CD1-CE 4.35Å; Y307-M332 HydrophobicContact CE1-SD 4.28Å; Y307-M332 HydrophobicContact CE2-CB 4.48Å; Y307-H387 HydrophobicContact CE1-CB 4.4Å
308	L	64.6	Low	81	Confident	111 Å²	111	69.3 Å²	69.3	58%	0.581	31%	0.313	S	S	*	.	S	Bend	trans	-70.6	82.2	175	-63.9	174.4	0	0	0	108.2	S306 F310	S306-L308 PolarHBondContact O-N 3.34Å; S306-L308 WeakPolarHBondContact OG-CB 3.34Å; S306-L308 PolarHBondContact OG-N 2.93Å; L308-F310 PolarHBondContact O-N 3.21Å
309	R	54.2	Low	81.3	Confident	132 Å²	132	66.5 Å²	66.5	50%	0.498	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	96.5	175.6	-70.5	-174.1	179.8	-166.7	2.8	109.7	Y307 Q311 D390	Y307-R309 PolarHBondContact O-N 2.04Å; R309-Q311 WeakPolarHBondContact O-CA 3.46Å; R309-Q311 WeakPolarHBondContact O-CG 3.05Å; R309-Q311 PolarHBondContact O-N 3.32Å; R309-D390 IonicContact CZ-OD2 3.33Å; R309-D390 IonicContact NE-OD2 2.69Å; R309-D390 IonicContact NH2-OD2 3.32Å; R309-D390 PolarHBondContact NH2-OD2 3.11Å
310	F	51	Low	81.2	Confident	68 Å²	68	66.6 Å²	66.6	30%	0.298	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	27.7	50.5	172.3	-53.6	-89.3	0	0	0	113.8	L308 W317 F386 K412 L416	L308-F310 PolarHBondContact O-N 3.21Å; F310-W317 HydrophobicContact CE1-CZ2 4.08Å; F310-F386 AromaticContact CE1-CE1 3.99Å; F310-F386 HydrophobicContact CE1-CE1 3.99Å; F310-F386 HydrophobicContact CE2-CD1 4.18Å; F310-F386 AromaticContact CE2-CE1 3.94Å; F310-F386 HydrophobicContact CE2-CE1 3.94Å; F310-F386 AromaticContact CZ-CD1 3.94Å; F310-F386 HydrophobicContact CZ-CD1 3.94Å; F310-F386 AromaticContact CZ-CE1 3.27Å; F310-F386 HydrophobicContact CZ-CE1 3.27Å; F310-F386 HydrophobicContact CZ-CZ 4.08Å; F310-K412 HydrophobicContact CD2-CD 3.67Å; F310-K412 HydrophobicContact CE1-CD 4.42Å; F310-K412 HydrophobicContact CE2-CD 3.35Å; F310-K412 HydrophobicContact CG-CD 4.32Å; F310-K412 HydrophobicContact CZ-CB 4.19Å; F310-K412 HydrophobicContact CZ-CD 3.75Å; F310-L416 HydrophobicContact CE1-CD1 4.13Å
311	Q	49.6	Very low	81.1	Confident	117 Å²	117	67 Å²	67	55%	0.547	30%	0.298	S	S	.	.			trans	-85.6	126.4	-166	-73.3	-157.8	-0.2	0	0	111.7	R309 R313	R309-Q311 WeakPolarHBondContact O-CA 3.46Å; R309-Q311 WeakPolarHBondContact O-CG 3.05Å; R309-Q311 PolarHBondContact O-N 3.32Å; Q311-R313 PolarHBondContact O-N 3.42Å
312	K	50.5	Low	81	Confident	212 Å²	212	67.4 Å²	67.4	92%	0.922	30%	0.3	S	S	*	.	S	Bend	trans	53.9	-34.5	153.4	-63.5	-174.9	-179.3	178.2	0	120.1
313	R	60.1	Low	80.9	Confident	179 Å²	179	69 Å²	69	68%	0.675	31%	0.309	S	S	*	.	S	Bend	trans	-96.9	145.5	174	-113.6	176.1	69.6	106.3	-3.9	109	Q311 V315	Q311-R313 PolarHBondContact O-N 3.42Å; R313-V315 VanDerWaalsContact C-N 3.33Å; R313-V315 PolarHBondContact O-N 2.79Å
314	K	74.6	Confident	80.8	Confident	199 Å²	199	70.2 Å²	70.2	87%	0.865	32%	0.316	S	S	*	.			trans	-59.2	100.9	163.3	-74.7	-173.8	177.4	-176.6	0	107.5
315	V	85.2	Confident	80.7	Confident	42 Å²	42	70.3 Å²	70.3	26%	0.255	32%	0.317	S	S	.	.			trans	-71.2	127.9	173.1	170.6	0	0	0	0	107.4	R313 S381	R313-V315 VanDerWaalsContact C-N 3.33Å; R313-V315 PolarHBondContact O-N 2.79Å; V315-S381 WeakPolarHBondContact CG1-O 3.3Å
316	K	90.7	Very high	80.7	Confident	103 Å²	103	70.9 Å²	70.9	45%	0.448	32%	0.319	S	S	.	.			trans	-98.2	128.4	173.4	-74.5	174.9	173.5	-173.7	0	109.1	D318 E319 S381	K316-D318 VanDerWaalsContact C-N 3.33Å; K316-E319 HydrophobicContact CB-CB 4.24Å; K316-E319 HydrophobicContact CB-CG 4Å; K316-E319 HydrophobicContact CD-CG 4.18Å; K316-E319 WeakPolarHBondContact CD-OE1 3.25Å; K316-E319 WeakPolarHBondContact CD-OE2 3.42Å; K316-E319 IonicContact NZ-OE1 3.07Å; K316-E319 PolarHBondContact NZ-OE1 3.31Å; K316-S381 WeakPolarHBondContact O-CB 3Å
317	W	93.2	Very high	81	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.015	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.6	-172.2	-74.4	64.6	0	0	0	113.8	F310 P383 R384 F386 L413 L416 Q419 L420 F425	F310-W317 HydrophobicContact CE1-CZ2 4.08Å; W317-P383 WeakPolarHBondContact CH2-O 3.07Å; W317-P383 WeakPolarHBondContact CZ3-O 3.37Å; W317-R384 PolarHBondContact O-NH1 2.93Å; W317-R384 PolarHBondContact O-NH2 3.45Å; W317-F386 AromaticContact CH2-CZ 3.91Å; W317-F386 HydrophobicContact CH2-CZ 3.91Å; W317-L413 HydrophobicContact CH2-CD2 3.71Å; W317-L413 HydrophobicContact CZ3-CD2 4.19Å; W317-L416 HydrophobicContact CH2-CD1 4.31Å; W317-L416 HydrophobicContact CZ2-CD1 3.4Å; W317-Q419 HydrophobicContact CB-CB 4.04Å; W317-Q419 HydrophobicContact CG-CB 4.17Å; W317-L420 HydrophobicContact CE3-CD2 3.77Å; W317-L420 HydrophobicContact CH2-CD2 4.33Å; W317-L420 HydrophobicContact CZ3-CD2 3.59Å; W317-F425 WeakPolarHBondContact O-CE1 3.19Å
318	D	95.7	Very high	81.5	Confident	43 Å²	43	67.1 Å²	67.1	23%	0.23	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	8.4	173.2	69.5	-37.7	0	0	0	112.8	K316 P422 F425 K426	K316-D318 VanDerWaalsContact C-N 3.33Å; D318-P422 HydrophobicContact CB-CB 3.76Å; D318-P422 HydrophobicContact CB-CG 4.06Å; D318-F425 CarbonylContact O-C 3.59Å; D318-F425 VanDerWaalsContact O-CA 3.26Å; D318-F425 WeakPolarHBondContact O-CA 3.37Å; D318-K426 PolarHBondContact O-N 3.5Å; D318-K426 IonicContact OD2-NZ 3.13Å
319	E	94.8	Very high	82.8	Confident	20 Å²	20	67.6 Å²	67.6	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	148.4	-178.3	-75.7	179.6	-179.2	0	0	112.4	K316 S381 K426 L428	K316-E319 HydrophobicContact CB-CB 4.24Å; K316-E319 HydrophobicContact CB-CG 4Å; K316-E319 HydrophobicContact CD-CG 4.18Å; K316-E319 WeakPolarHBondContact CD-OE1 3.25Å; K316-E319 WeakPolarHBondContact CD-OE2 3.42Å; K316-E319 IonicContact NZ-OE1 3.07Å; K316-E319 PolarHBondContact NZ-OE1 3.31Å; E319-S381 VanDerWaalsContact O-CB 3.26Å; E319-S381 WeakPolarHBondContact O-CB 3.47Å; E319-S381 PolarHBondContact O-N 2.78Å; E319-K426 CarbonylContact C-O 3.53Å; E319-K426 VanDerWaalsContact CA-O 3.27Å; E319-K426 WeakPolarHBondContact CA-O 2.76Å; E319-L428 HydrophobicContact CB-CB 4.05Å; E319-L428 HydrophobicContact CG-CB 4.38Å
320	Y	94.9	Very high	84.7	Confident	17 Å²	17	61.9 Å²	61.9	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.9	172.6	65.6	-91.4	0	0	0	112.8	I288 V295 I322 L378 V379 F425 K426 V427 L428	I288-Y320 HydrophobicContact CD1-CD1 4.23Å; V295-Y320 HydrophobicContact CG1-CE2 3.66Å; V295-Y320 WeakPolarHBondContact CG1-OH 3.37Å; Y320-I322 HydrophobicContact CD2-CG1 4.25Å; Y320-I322 HydrophobicContact CE2-CD1 4.24Å; Y320-I322 HydrophobicContact CE2-CG1 4.17Å; Y320-L378 HydrophobicContact CD2-CD1 3.69Å; Y320-L378 HydrophobicContact CD2-CD2 4Å; Y320-L378 HydrophobicContact CD2-CG 3.65Å; Y320-L378 HydrophobicContact CE2-CD1 3.91Å; Y320-L378 HydrophobicContact CE2-CG 4.34Å; Y320-L378 HydrophobicContact CG-CD1 4.22Å; Y320-L378 HydrophobicContact CG-CD2 3.91Å; Y320-L378 HydrophobicContact CG-CG 4.09Å; Y320-V379 CarbonylContact C-O 3.57Å; Y320-V379 VanDerWaalsContact CA-O 3.24Å; Y320-V379 WeakPolarHBondContact CA-O 3.49Å; Y320-V379 WeakPolarHBondContact CB-O 2.83Å; Y320-F425 HydrophobicContact CD1-CB 3.88Å; Y320-F425 HydrophobicContact CE1-CB 4.04Å; Y320-K426 VanDerWaalsContact CD1-O 3.26Å; Y320-K426 WeakPolarHBondContact CD1-O 3.3Å; Y320-K426 PolarHBondContact N-O 2.89Å; Y320-V427 HydrophobicContact CE1-CB 4.48Å; Y320-V427 HydrophobicContact CE2-CB 3.85Å; Y320-V427 HydrophobicContact CE2-CG2 4.05Å; Y320-L428 WeakPolarHBondContact O-CB 3.02Å; Y320-L428 PolarHBondContact O-N 2.91Å
321	L	94.2	Very high	86.7	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.5	177.5	-54.6	91.1	0	0	0	109.3	L323 L378 V379 L428 L429	L321-L323 HydrophobicContact CB-CD1 4.29Å; L321-L323 HydrophobicContact CB-CG 4.17Å; L321-L378 CarbonylContact O-C 3.46Å; L321-L378 WeakPolarHBondContact O-CA 3.1Å; L321-V379 PolarHBondContact N-O 3Å; L321-V379 PolarHBondContact O-N 3.28Å; L321-L428 HydrophobicContact CD1-CD2 4.21Å; L321-L428 HydrophobicContact CD2-CD2 4.21Å; L321-L428 HydrophobicContact CG-CB 4.41Å; L321-L428 HydrophobicContact CG-CD2 4.15Å; L321-L428 HydrophobicContact CG-CG 4.48Å; L321-L429 HydrophobicContact CB-CB 4.2Å; L321-L429 HydrophobicContact CD2-CB 3.92Å; L321-L429 HydrophobicContact CD2-CD2 4.12Å; L321-L429 HydrophobicContact CG-CB 4.13Å
322	I	95.4	Very high	88.8	Confident	9 Å²	9	54 Å²	54	5%	0.046	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	118	170.2	-56.2	169.5	0	0	0	108	V295 C296 C299 Y320 T376 T377 L429 L431	V295-I322 HydrophobicContact CG1-CD1 4.2Å; C296-I322 HydrophobicContact CB-CD1 3.91Å; C299-I322 VanDerWaalsContact SG-CG2 3.56Å; Y320-I322 HydrophobicContact CD2-CG1 4.25Å; Y320-I322 HydrophobicContact CE2-CD1 4.24Å; Y320-I322 HydrophobicContact CE2-CG1 4.17Å; I322-T376 HydrophobicContact CG2-CG2 3.69Å; I322-T377 WeakPolarHBondContact CA-O 3.49Å; I322-L429 PolarHBondContact N-O 3.47Å; I322-L431 HydrophobicContact CB-CB 4.27Å; I322-L431 HydrophobicContact CG2-CB 3.77Å; I322-L431 HydrophobicContact CG2-CD1 4.29Å; I322-L431 HydrophobicContact CG2-CG 4.42Å
323	L	95.1	Very high	91	Very high	35 Å²	35	43.9 Å²	43.9	18%	0.183	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.5	-171.7	-64.1	175.5	0	0	0	110.7	L321 W325 T376 T377 V379 L429 V434	L321-L323 HydrophobicContact CB-CD1 4.29Å; L321-L323 HydrophobicContact CB-CG 4.17Å; L323-W325 PolarHBondContact O-N 3.43Å; L323-T376 WeakPolarHBondContact O-CG2 3.45Å; L323-T377 HydrophobicContact CB-CG2 4.46Å; L323-T377 PolarHBondContact N-O 3.04Å; L323-T377 PolarHBondContact O-N 2.93Å; L323-V379 HydrophobicContact CD1-CG2 4.27Å; L323-L429 HydrophobicContact CD2-CD2 3.83Å; L323-V434 HydrophobicContact CD2-CG2 3.62Å
324	P	95.3	Very high	92.8	Very high	24 Å²	24	35.9 Å²	35.9	16%	0.156	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	131.6	160.2	-25.5	38.8	0	0	0	109.5	L431 V437	P324-L431 HydrophobicContact CG-CD1 4.11Å; P324-V437 HydrophobicContact CB-CG1 4.14Å; P324-V437 HydrophobicContact CB-CG2 4.15Å; P324-V437 HydrophobicContact CG-CG2 3.69Å
325	W	95.7	Very high	93.8	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.011	13%	0.13	C	C	.	.			trans	-65.2	142.2	179.8	-175.2	89.7	0	0	0	110.2	I301 L323 H330 N331 M334 D360 L363 L364 L375 T377	I301-W325 HydrophobicContact CD1-CB 4.31Å; I301-W325 VanDerWaalsContact CD1-CD1 3.47Å; I301-W325 HydrophobicContact CD1-CD2 4.18Å; I301-W325 HydrophobicContact CD1-CG 3.74Å; L323-W325 PolarHBondContact O-N 3.43Å; W325-H330 VanDerWaalsContact CD1-CB 3.45Å; W325-H330 HydrophobicContact CG-CB 4.22Å; W325-H330 PolarHBondContact NE1-O 3.33Å; W325-N331 HydrophobicContact CZ2-CB 4.43Å; W325-M334 HydrophobicContact CZ2-SD 4.46Å; W325-D360 HydrophobicContact CH2-CB 4.35Å; W325-D360 WeakPolarHBondContact CH2-O 3.45Å; W325-L363 HydrophobicContact CH2-CB 4.06Å; W325-L363 HydrophobicContact CH2-CD2 3.77Å; W325-L363 HydrophobicContact CH2-CG 3.92Å; W325-L363 HydrophobicContact CZ2-CD2 4.03Å; W325-L363 HydrophobicContact CZ3-CB 4.27Å; W325-L363 HydrophobicContact CZ3-CD2 4.28Å; W325-L363 HydrophobicContact CZ3-CG 4.01Å; W325-L364 HydrophobicContact CE3-CD1 4.17Å; W325-L364 HydrophobicContact CZ3-CB 3.86Å; W325-L364 HydrophobicContact CZ3-CD1 4.17Å; W325-L375 HydrophobicContact CB-CB 3.82Å; W325-L375 WeakPolarHBondContact CB-O 3.49Å; W325-L375 HydrophobicContact CG-CB 4.49Å; W325-L375 PolarHBondContact N-O 3.05Å; W325-T377 HydrophobicContact CB-CG2 4.13Å; W325-T377 HydrophobicContact CG-CG2 4.48Å
326	F	94.6	Very high	94.3	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.048	12%	0.121	C	C	.	.			trans	-150.2	119	-173.3	-165.1	-91.5	0	0	0	108	S328 Y329 H330 L364 P438	F326-S328 PolarHBondContact O-N 3.18Å; F326-Y329 HydrophobicContact CB-CD2 4.42Å; F326-Y329 AromaticContact CD1-CD2 3.93Å; F326-Y329 HydrophobicContact CD1-CD2 3.93Å; F326-Y329 HydrophobicContact CD1-CE2 4.17Å; F326-Y329 HydrophobicContact CD1-CG 4.23Å; F326-Y329 HydrophobicContact CG-CD2 4.45Å; F326-Y329 PolarHBondContact O-N 3.43Å; F326-Y329 VanDerWaalsContact O-N 3.07Å; F326-H330 PolarHBondContact N-ND1 3.13Å; F326-H330 WeakPolarHBondContact O-CB 3.05Å; F326-H330 PolarHBondContact O-N 3.32Å; F326-H330 PolarHBondContact O-ND1 2.89Å; F326-L364 HydrophobicContact CD2-CD1 4.14Å; F326-L364 HydrophobicContact CD2-CD2 3.95Å; F326-L364 HydrophobicContact CE2-CD2 3.72Å; F326-L364 HydrophobicContact CG-CD2 4.47Å; F326-L364 HydrophobicContact CZ-CD2 4.05Å; F326-P438 HydrophobicContact CD2-CB 4.22Å; F326-P438 HydrophobicContact CD2-CG 4.39Å; F326-P438 HydrophobicContact CE1-CB 4.16Å; F326-P438 HydrophobicContact CE1-CG 4.48Å; F326-P438 HydrophobicContact CE2-CB 3.7Å; F326-P438 HydrophobicContact CE2-CG 4.34Å; F326-P438 WeakPolarHBondContact CE2-O 3.35Å; F326-P438 HydrophobicContact CG-CG 4.48Å; F326-P438 HydrophobicContact CZ-CB 3.67Å; F326-P438 HydrophobicContact CZ-CG 4.39Å
327	S	92.1	Very high	94.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-51	-55.1	-166.6	54	0	0	0	0	113.2	Y329 H330 N331 D360 L364	S327-Y329 PolarHBondContact O-N 3.32Å; S327-H330 PolarHBondContact O-N 3.25Å; S327-N331 WeakPolarHBondContact O-CB 3.45Å; S327-N331 PolarHBondContact O-N 3.22Å; S327-N331 PolarHBondContact O-OD1 2.9Å; S327-D360 VanDerWaalsContact CB-O 3.23Å; S327-D360 WeakPolarHBondContact CB-O 3.35Å; S327-L364 WeakPolarHBondContact OG-CD2 2.94Å
328	S	89.3	Confident	94.4	Very high	45 Å²	45	25.2 Å²	25.2	32%	0.315	12%	0.122	S	C	.	.	H	α-helix	trans	-63.3	-10.8	-176.3	-44.7	0	0	0	0	115.5	Y307 F326	Y307-S328 WeakPolarHBondContact CD2-O 3.36Å; F326-S328 PolarHBondContact O-N 3.18Å
329	Y	91.7	Very high	94.2	Very high	121 Å²	121	27 Å²	27	48%	0.475	14%	0.138	S	C	.	.	H	α-helix	trans	-115.4	-24.8	-179.4	-60.1	-22.9	0	0	0	113.5	F326 S327 P438	F326-Y329 HydrophobicContact CB-CD2 4.42Å; F326-Y329 AromaticContact CD1-CD2 3.93Å; F326-Y329 HydrophobicContact CD1-CD2 3.93Å; F326-Y329 HydrophobicContact CD1-CE2 4.17Å; F326-Y329 HydrophobicContact CD1-CG 4.23Å; F326-Y329 HydrophobicContact CG-CD2 4.45Å; F326-Y329 PolarHBondContact O-N 3.43Å; F326-Y329 VanDerWaalsContact O-N 3.07Å; S327-Y329 PolarHBondContact O-N 3.32Å; Y329-P438 HydrophobicContact CE2-CG 3.74Å
330	H	94.8	Very high	94.2	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-131.9	11.4	-160.1	-51.8	131.3	0	0	0	114.2	T303 W325 F326 S327 T377	T303-H330 HydrophobicContact CG2-CB 4.19Å; T303-H330 PolarHBondContact OG1-O 3.39Å; W325-H330 VanDerWaalsContact CD1-CB 3.45Å; W325-H330 HydrophobicContact CG-CB 4.22Å; W325-H330 PolarHBondContact NE1-O 3.33Å; F326-H330 PolarHBondContact N-ND1 3.13Å; F326-H330 WeakPolarHBondContact O-CB 3.05Å; F326-H330 PolarHBondContact O-N 3.32Å; F326-H330 PolarHBondContact O-ND1 2.89Å; S327-H330 PolarHBondContact O-N 3.25Å; H330-T377 HydrophobicContact CB-CG2 4.21Å
331	N	93.1	Very high	94.1	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.091	15%	0.148	C	C	.	.			trans	-81.2	-23.3	176.3	63.8	-7.4	0	0	0	113.1	Y307 W325 S327 M334 W359 D360	Y307-N331 WeakPolarHBondContact CE2-OD1 3.45Å; Y307-N331 PolarHBondContact OH-ND2 3.03Å; Y307-N331 PolarHBondContact OH-OD1 3.04Å; W325-N331 HydrophobicContact CZ2-CB 4.43Å; S327-N331 WeakPolarHBondContact O-CB 3.45Å; S327-N331 PolarHBondContact O-N 3.22Å; S327-N331 PolarHBondContact O-OD1 2.9Å; N331-M334 WeakPolarHBondContact O-CG 3.23Å; N331-W359 HydrophobicContact CB-CH2 4.18Å; N331-W359 HydrophobicContact CB-CZ2 4.45Å; N331-D360 HydrophobicContact CB-CB 4.17Å; N331-D360 PolarHBondContact ND2-OD2 3.16Å
332	M	94.6	Very high	94	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	123.6	-177.3	-176.5	165.6	63.4	0	0	112.6	G305 S306 Y307 M334 V385 H387	G305-M332 WeakPolarHBondContact CA-O 3.34Å; G305-M332 PolarHBondContact N-O 3.16Å; S306-M332 WeakPolarHBondContact O-CE 3.33Å; Y307-M332 HydrophobicContact CD1-CE 4.35Å; Y307-M332 HydrophobicContact CE1-SD 4.28Å; Y307-M332 HydrophobicContact CE2-CB 4.48Å; M332-M334 PolarHBondContact O-N 3.24Å; M332-V385 WeakPolarHBondContact CE-O 3.31Å; M332-V385 HydrophobicContact CG-CB 4.34Å; M332-V385 HydrophobicContact CG-CG1 3.77Å; M332-V385 HydrophobicContact SD-CG1 4.33Å; M332-H387 HydrophobicContact SD-CB 3.71Å; M332-H387 PolarHBondContact SD-N 3.21Å
333	G	96.6	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	34.4	-179.6	0	0	0	0	0	112.3	F270 L304	F270-G333 WeakPolarHBondContact O-CA 3.34Å; L304-G333 WeakPolarHBondContact CB-O 3.32Å; L304-G333 PolarHBondContact N-O 3.32Å
334	M	96.5	Very high	93.9	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.054	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	146.1	178.9	68.4	171.9	-173.6	0	0	110.6	F270 I301 I302 W325 N331 M332 F336 W359	F270-M334 HydrophobicContact CB-CE 4.41Å; F270-M334 HydrophobicContact CB-CG 4.39Å; F270-M334 HydrophobicContact CD2-CE 4.41Å; F270-M334 HydrophobicContact CG-CE 4.47Å; F270-M334 PolarHBondContact N-O 2.84Å; I301-M334 HydrophobicContact CG2-CB 4.06Å; I302-M334 CarbonylContact O-C 3.04Å; I302-M334 VanDerWaalsContact O-CA 3.29Å; I302-M334 WeakPolarHBondContact O-CA 3.44Å; W325-M334 HydrophobicContact CZ2-SD 4.46Å; N331-M334 WeakPolarHBondContact O-CG 3.23Å; M332-M334 PolarHBondContact O-N 3.24Å; M334-F336 HydrophobicContact CE-CE1 3.98Å; M334-F336 HydrophobicContact SD-CE1 4.48Å; M334-W359 HydrophobicContact CE-CH2 3.21Å; M334-W359 HydrophobicContact CE-CZ2 4.25Å; M334-W359 HydrophobicContact CE-CZ3 3.51Å; M334-W359 HydrophobicContact SD-CH2 3.91Å; M334-W359 HydrophobicContact SD-CZ3 4.29Å
335	A	97.2	Very high	93.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.9	175.8	0	0	0	0	0	111	W267 V268 V269 F285 I301 I302	W267-A335 HydrophobicContact CE3-CB 4.25Å; W267-A335 WeakPolarHBondContact CZ3-O 3.48Å; V268-A335 CarbonylContact O-C 3.55Å; V268-A335 WeakPolarHBondContact O-CA 3.49Å; V268-A335 WeakPolarHBondContact O-CB 3.5Å; V269-A335 HydrophobicContact CB-CB 4.21Å; V269-A335 HydrophobicContact CG1-CB 4.32Å; V269-A335 HydrophobicContact CG2-CB 3.85Å; F285-A335 HydrophobicContact CE2-CB 3.59Å; F285-A335 HydrophobicContact CZ-CB 4.1Å; I301-A335 CarbonylContact C-O 3.55Å; I301-A335 VanDerWaalsContact CA-O 3.26Å; I301-A335 WeakPolarHBondContact CA-O 3.3Å; I302-A335 HydrophobicContact CB-CB 4.36Å; I302-A335 PolarHBondContact N-O 2.55Å; I302-A335 PolarHBondContact O-N 2.95Å
336	F	95.8	Very high	93.6	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	164	173.3	57.2	-100.2	0	0	0	110.9	V268 F270 I301 M334 T340 W341	V268-F336 PolarHBondContact N-O 2.63Å; V268-F336 PolarHBondContact O-N 3.24Å; V268-F336 VanDerWaalsContact O-N 3.09Å; F270-F336 HydrophobicContact CD2-CD1 4.21Å; F270-F336 AromaticContact CD2-CE1 3.74Å; F270-F336 HydrophobicContact CD2-CE1 3.74Å; F270-F336 HydrophobicContact CD2-CZ 4.11Å; F270-F336 AromaticContact CE2-CD1 3.83Å; F270-F336 HydrophobicContact CE2-CD1 3.83Å; F270-F336 HydrophobicContact CE2-CD2 4.22Å; F270-F336 AromaticContact CE2-CE1 3.31Å; F270-F336 HydrophobicContact CE2-CE1 3.31Å; F270-F336 AromaticContact CE2-CE2 3.73Å; F270-F336 HydrophobicContact CE2-CE2 3.73Å; F270-F336 HydrophobicContact CE2-CG 4.26Å; F270-F336 AromaticContact CE2-CZ 3.25Å; F270-F336 HydrophobicContact CE2-CZ 3.25Å; F270-F336 HydrophobicContact CZ-CE1 4.04Å; F270-F336 AromaticContact CZ-CE2 3.94Å; F270-F336 HydrophobicContact CZ-CE2 3.94Å; F270-F336 AromaticContact CZ-CZ 3.53Å; F270-F336 HydrophobicContact CZ-CZ 3.53Å; I301-F336 HydrophobicContact CG1-CB 4.3Å; M334-F336 HydrophobicContact CE-CE1 3.98Å; M334-F336 HydrophobicContact SD-CE1 4.48Å; F336-T340 HydrophobicContact CB-CG2 3.79Å; F336-T340 HydrophobicContact CD2-CG2 4.44Å; F336-T340 HydrophobicContact CG-CG2 4.2Å; F336-W341 HydrophobicContact CD2-CB 4.3Å; F336-W341 HydrophobicContact CE2-CB 4.07Å; F336-W341 AromaticContact CE2-CE3 3.98Å; F336-W341 HydrophobicContact CE2-CE3 3.98Å; F336-W341 HydrophobicContact CZ-CE3 4.29Å
337	N	93.3	Very high	93.6	Very high	40 Å²	40	42.2 Å²	42.2	21%	0.214	20%	0.198	C	C	.	.			trans	-106.6	-179.4	-177.9	70.1	21.4	0	0	0	112.1	G266 W267 S339 T340 W341	G266-N337 WeakPolarHBondContact O-CB 3.47Å; W267-N337 HydrophobicContact CD2-CB 4.47Å; N337-S339 VanDerWaalsContact C-N 3.27Å; N337-S339 PolarHBondContact O-N 3.44Å; N337-S339 WeakPolarHBondContact OD1-CB 3.03Å; N337-S339 PolarHBondContact OD1-N 2.78Å; N337-T340 PolarHBondContact O-N 2.69Å; N337-T340 PolarHBondContact OD1-N 2.76Å; N337-T340 VanDerWaalsContact OD1-N 3.12Å; N337-W341 PolarHBondContact O-N 2.96Å
338	R	91.1	Very high	93.6	Very high	70 Å²	70	42.7 Å²	42.7	26%	0.264	20%	0.202	S	C	.	.	H	α-helix	trans	-56.9	-36.9	179.5	-177	65.6	62.2	-157.3	-0.6	113.4	L261 Y264 N265 W341 N342	L261-R338 PolarHBondContact O-NH2 3.2Å; Y264-R338 PolarHBondContact O-NE 3.36Å; Y264-R338 PolarHBondContact O-NH2 3.29Å; N265-R338 HydrophobicContact CB-CB 4.42Å; N265-R338 WeakPolarHBondContact OD1-CB 3.43Å; N265-R338 WeakPolarHBondContact OD1-CG 3.43Å; R338-W341 PolarHBondContact O-N 2.92Å; R338-N342 WeakPolarHBondContact O-CB 3.49Å; R338-N342 PolarHBondContact O-N 2.85Å; R338-N342 PolarHBondContact O-ND2 3.12Å; R338-N342 PolarHBondContact O-OD1 3.43Å
339	S	93.1	Very high	93.9	Very high	80 Å²	80	46.2 Å²	46.2	56%	0.559	21%	0.214	S	C	*	.	H	α-helix	trans	-63.4	-49.2	-179.8	-172.3	0	0	0	0	110.9	N337 W341 N342 L343	N337-S339 VanDerWaalsContact C-N 3.27Å; N337-S339 PolarHBondContact O-N 3.44Å; N337-S339 WeakPolarHBondContact OD1-CB 3.03Å; N337-S339 PolarHBondContact OD1-N 2.78Å; S339-W341 PolarHBondContact O-N 3.27Å; S339-N342 PolarHBondContact O-N 2.72Å; S339-L343 WeakPolarHBondContact O-CG 3.47Å; S339-L343 PolarHBondContact O-N 2.71Å; S339-L343 VanDerWaalsContact O-N 3.17Å
340	T	94.6	Very high	94.1	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-44.3	174.7	-60.1	0	0	0	0	111.5	H300 F336 N337 N342 L343 I344 L375	H300-T340 HydrophobicContact CB-CG2 3.89Å; H300-T340 PolarHBondContact O-OG1 2.81Å; F336-T340 HydrophobicContact CB-CG2 3.79Å; F336-T340 HydrophobicContact CD2-CG2 4.44Å; F336-T340 HydrophobicContact CG-CG2 4.2Å; N337-T340 PolarHBondContact O-N 2.69Å; N337-T340 PolarHBondContact OD1-N 2.76Å; N337-T340 VanDerWaalsContact OD1-N 3.12Å; T340-N342 VanDerWaalsContact C-N 3.34Å; T340-N342 PolarHBondContact O-N 3.36Å; T340-L343 WeakPolarHBondContact O-CB 3.29Å; T340-L343 PolarHBondContact O-N 3.31Å; T340-L343 VanDerWaalsContact O-N 3.15Å; T340-I344 HydrophobicContact CG2-CD1 3.98Å; T340-I344 WeakPolarHBondContact O-CG1 3.49Å; T340-I344 PolarHBondContact O-N 3.27Å; T340-I344 VanDerWaalsContact O-N 3.11Å; T340-L375 HydrophobicContact CG2-CD2 4.2Å
341	W	92.7	Very high	94	Very high	92 Å²	92	45.6 Å²	45.6	35%	0.348	22%	0.215	S	C	.	.	H	α-helix	trans	-56.9	-46.4	175.6	173.8	-103.6	0	0	0	112	F336 N337 R338 S339 L343 I344 Q345	F336-W341 HydrophobicContact CD2-CB 4.3Å; F336-W341 HydrophobicContact CE2-CB 4.07Å; F336-W341 AromaticContact CE2-CE3 3.98Å; F336-W341 HydrophobicContact CE2-CE3 3.98Å; F336-W341 HydrophobicContact CZ-CE3 4.29Å; N337-W341 PolarHBondContact O-N 2.96Å; R338-W341 PolarHBondContact O-N 2.92Å; S339-W341 PolarHBondContact O-N 3.27Å; W341-L343 PolarHBondContact O-N 3.09Å; W341-I344 PolarHBondContact O-N 3.42Å; W341-I344 VanDerWaalsContact O-N 3.09Å; W341-Q345 HydrophobicContact CZ2-CG 4.47Å; W341-Q345 VanDerWaalsContact NE1-OE1 3.14Å; W341-Q345 WeakPolarHBondContact O-CB 3.45Å; W341-Q345 PolarHBondContact O-N 3.23Å
342	N	91.9	Very high	94	Very high	63 Å²	63	44.8 Å²	44.8	34%	0.337	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-30.2	179.5	-69.8	-12.8	0	0	0	112.6	R338 S339 T340 R346	R338-N342 WeakPolarHBondContact O-CB 3.49Å; R338-N342 PolarHBondContact O-N 2.85Å; R338-N342 PolarHBondContact O-ND2 3.12Å; R338-N342 PolarHBondContact O-OD1 3.43Å; S339-N342 PolarHBondContact O-N 2.72Å; T340-N342 VanDerWaalsContact C-N 3.34Å; T340-N342 PolarHBondContact O-N 3.36Å; N342-R346 VanDerWaalsContact O-CG 3.31Å; N342-R346 WeakPolarHBondContact O-CG 3.47Å; N342-R346 PolarHBondContact O-N 3.3Å
343	L	94.3	Very high	94	Very high	58 Å²	58	49.6 Å²	49.6	30%	0.304	23%	0.231	S	C	.	.	H	α-helix	trans	-68.1	-45.9	172.6	-66.9	173.3	0	0	0	111.2	S339 T340 W341 L371	S339-L343 WeakPolarHBondContact O-CG 3.47Å; S339-L343 PolarHBondContact O-N 2.71Å; S339-L343 VanDerWaalsContact O-N 3.17Å; T340-L343 WeakPolarHBondContact O-CB 3.29Å; T340-L343 PolarHBondContact O-N 3.31Å; T340-L343 VanDerWaalsContact O-N 3.15Å; W341-L343 PolarHBondContact O-N 3.09Å; L343-L371 HydrophobicContact CB-CD2 4.08Å; L343-L371 WeakPolarHBondContact O-CD2 3.49Å
344	I	93.6	Very high	93.8	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-44.9	178.2	-64.3	163.3	0	0	0	110.5	T340 W341 R346 C347 A348 L363 L375	T340-I344 HydrophobicContact CG2-CD1 3.98Å; T340-I344 WeakPolarHBondContact O-CG1 3.49Å; T340-I344 PolarHBondContact O-N 3.27Å; T340-I344 VanDerWaalsContact O-N 3.11Å; W341-I344 PolarHBondContact O-N 3.42Å; W341-I344 VanDerWaalsContact O-N 3.09Å; I344-R346 VanDerWaalsContact C-N 3.27Å; I344-R346 PolarHBondContact O-N 2.85Å; I344-C347 CarbonylContact O-C 3.5Å; I344-C347 WeakPolarHBondContact O-CA 3.45Å; I344-C347 WeakPolarHBondContact O-CB 3.4Å; I344-C347 PolarHBondContact O-N 3.42Å; I344-A348 PolarHBondContact O-N 2.92Å; I344-L363 HydrophobicContact CD1-CD1 3.81Å; I344-L363 HydrophobicContact CG1-CD1 3.94Å; I344-L363 HydrophobicContact CG2-CD1 3.82Å; I344-L375 HydrophobicContact CD1-CD1 4.48Å
345	Q	90.4	Very high	93.6	Very high	33 Å²	33	51 Å²	51	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-33.9	-177.7	-168.3	-175.2	-7.9	0	0	112.4	W341 C347 A348 T460	W341-Q345 HydrophobicContact CZ2-CG 4.47Å; W341-Q345 VanDerWaalsContact NE1-OE1 3.14Å; W341-Q345 WeakPolarHBondContact O-CB 3.45Å; W341-Q345 PolarHBondContact O-N 3.23Å; Q345-C347 PolarHBondContact O-N 3.06Å; Q345-A348 WeakPolarHBondContact O-CB 3.35Å; Q345-A348 PolarHBondContact O-N 3.05Å; Q345-A348 VanDerWaalsContact O-N 3.13Å; Q345-T460 HydrophobicContact CG-CG2 3.7Å; Q345-T460 PolarHBondContact NE2-O 2.83Å
346	R	93.5	Very high	93.4	Very high	202 Å²	202	51 Å²	51	76%	0.762	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.4	173.1	-70.6	171.8	-162.7	-164.6	3.6	113.4	N342 I344	N342-R346 VanDerWaalsContact O-CG 3.31Å; N342-R346 WeakPolarHBondContact O-CG 3.47Å; N342-R346 PolarHBondContact O-N 3.3Å; I344-R346 VanDerWaalsContact C-N 3.27Å; I344-R346 PolarHBondContact O-N 2.85Å
347	C	95.9	Very high	92.9	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.061	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	15.4	178.3	-67.7	0	0	0	0	112.7	I344 Q345 E349 M350 F351 V366 C370	I344-C347 CarbonylContact O-C 3.5Å; I344-C347 WeakPolarHBondContact O-CA 3.45Å; I344-C347 WeakPolarHBondContact O-CB 3.4Å; I344-C347 PolarHBondContact O-N 3.42Å; Q345-C347 PolarHBondContact O-N 3.06Å; C347-E349 PolarHBondContact O-N 3Å; C347-M350 PolarHBondContact O-N 3.37Å; C347-F351 PolarHBondContact O-N 3.29Å; C347-V366 HydrophobicContact CB-CB 4.35Å; C347-V366 HydrophobicContact CB-CG1 3.47Å; C347-V366 VanDerWaalsContact CB-CG1 3.47Å; C347-V366 HydrophobicContact CB-CG2 4.02Å; C347-C370 VanDerWaalsContact CA-SG 3.54Å; C347-C370 HydrophobicContact CB-CB 3.64Å; C347-C370 WeakPolarHBondContact CB-SG 3.5Å; C347-C370 WeakPolarHBondContact SG-CB 3.42Å; C347-C370 CovalentContact SG-SG 2.02Å; C347-C370 PolarHBondContact SG-SG 3.11Å
348	A	92.4	Very high	92.8	Very high	10 Å²	10	56.4 Å²	56.4	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-33.9	-175.9	0	0	0	0	0	113.8	I344 Q345 M350 F351 C352 T460	I344-A348 PolarHBondContact O-N 2.92Å; Q345-A348 WeakPolarHBondContact O-CB 3.35Å; Q345-A348 PolarHBondContact O-N 3.05Å; Q345-A348 VanDerWaalsContact O-N 3.13Å; A348-M350 VanDerWaalsContact C-N 3.33Å; A348-M350 PolarHBondContact O-N 2.88Å; A348-F351 WeakPolarHBondContact O-CB 3.29Å; A348-F351 PolarHBondContact O-N 3.47Å; A348-C352 VanDerWaalsContact O-CB 3.29Å; A348-C352 WeakPolarHBondContact O-CB 3.39Å; A348-C352 PolarHBondContact O-N 3.48Å; A348-C352 PolarHBondContact O-SG 2.62Å; A348-C352 VanDerWaalsContact O-SG 3.32Å; A348-T460 HydrophobicContact CB-CG2 3.19Å
349	E	94.8	Very high	92.7	Very high	120 Å²	120	56.9 Å²	56.9	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-60.7	-42.7	175.2	-175.3	174.9	-172.1	0	0	112.3	C347 K353 L457	C347-E349 PolarHBondContact O-N 3Å; E349-K353 HydrophobicContact CG-CD 3.86Å; E349-K353 VanDerWaalsContact O-CB 3.29Å; E349-K353 WeakPolarHBondContact O-CB 3.42Å; E349-K353 WeakPolarHBondContact O-CG 3.35Å; E349-K353 PolarHBondContact O-N 3.36Å; E349-K353 VanDerWaalsContact O-N 3.13Å; E349-K353 IonicContact OE1-NZ 3.69Å; E349-K353 PolarHBondContact OE1-NZ 3.31Å; E349-L457 HydrophobicContact CB-CD2 4.46Å
350	M	95.6	Very high	92.7	Very high	66 Å²	66	53.7 Å²	53.7	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-67.7	-40.4	175.1	-179.4	174.5	-68.5	0	0	111.4	C347 A348 Y354 Q365 V366 K369 C370	C347-M350 PolarHBondContact O-N 3.37Å; A348-M350 VanDerWaalsContact C-N 3.33Å; A348-M350 PolarHBondContact O-N 2.88Å; M350-Y354 WeakPolarHBondContact O-CB 3.46Å; M350-Y354 PolarHBondContact O-N 3.05Å; M350-Y354 VanDerWaalsContact O-N 3.16Å; M350-Q365 HydrophobicContact CG-CG 4.13Å; M350-Q365 HydrophobicContact SD-CG 4Å; M350-V366 HydrophobicContact CB-CG2 4.36Å; M350-V366 HydrophobicContact CG-CG2 4.35Å; M350-K369 HydrophobicContact CE-CB 3.88Å; M350-K369 HydrophobicContact SD-CB 3.68Å; M350-C370 HydrophobicContact CB-CB 4.49Å; M350-C370 HydrophobicContact CE-CB 3.9Å; M350-C370 HydrophobicContact SD-CB 3.58Å; M350-C370 VanDerWaalsContact SD-CB 3.58Å
351	F	94.3	Very high	92.7	Very high	53 Å²	53	55.2 Å²	55.2	23%	0.232	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-53.4	177.3	-175.6	-90.3	0	0	0	111.4	C347 A348 K353 Y354 W359 L363 V366	C347-F351 PolarHBondContact O-N 3.29Å; A348-F351 WeakPolarHBondContact O-CB 3.29Å; A348-F351 PolarHBondContact O-N 3.47Å; F351-K353 VanDerWaalsContact C-N 3.33Å; F351-K353 PolarHBondContact O-N 3.06Å; F351-Y354 PolarHBondContact O-N 3.26Å; F351-W359 WeakPolarHBondContact CE2-O 3.46Å; F351-W359 HydrophobicContact CZ-CB 4.2Å; F351-L363 HydrophobicContact CE2-CB 4.08Å; F351-V366 HydrophobicContact CB-CG2 3.81Å; F351-V366 HydrophobicContact CD2-CG2 4.27Å
352	C	92.3	Very high	92.8	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-72.5	-21.7	-173.8	-67.7	0	0	0	0	114	A348 W447 H453 C456 L457	A348-C352 VanDerWaalsContact O-CB 3.29Å; A348-C352 WeakPolarHBondContact O-CB 3.39Å; A348-C352 PolarHBondContact O-N 3.48Å; A348-C352 PolarHBondContact O-SG 2.62Å; A348-C352 VanDerWaalsContact O-SG 3.32Å; C352-W447 PolarHBondContact O-NE1 3.35Å; C352-H453 PolarHBondContact O-CD2 2.89Å; C352-C456 WeakPolarHBondContact CA-SG 3.31Å; C352-C456 HydrophobicContact CB-CB 3.58Å; C352-C456 WeakPolarHBondContact CB-SG 3.34Å; C352-C456 WeakPolarHBondContact SG-CB 3.37Å; C352-C456 CovalentContact SG-SG 2.04Å; C352-C456 PolarHBondContact SG-SG 3.2Å; C352-L457 HydrophobicContact CB-CD2 4.09Å; C352-L457 HydrophobicContact CB-CG 3.99Å
353	K	93.8	Very high	93	Very high	103 Å²	103	48.3 Å²	48.3	45%	0.448	21%	0.213	S	C	.	.	H	α-helix	trans	-103	-2.1	179.6	-64.9	-177.9	177.7	175.6	0	113.8	E349 F351 D355	E349-K353 HydrophobicContact CG-CD 3.86Å; E349-K353 VanDerWaalsContact O-CB 3.29Å; E349-K353 WeakPolarHBondContact O-CB 3.42Å; E349-K353 WeakPolarHBondContact O-CG 3.35Å; E349-K353 PolarHBondContact O-N 3.36Å; E349-K353 VanDerWaalsContact O-N 3.13Å; E349-K353 IonicContact OE1-NZ 3.69Å; E349-K353 PolarHBondContact OE1-NZ 3.31Å; F351-K353 VanDerWaalsContact C-N 3.33Å; F351-K353 PolarHBondContact O-N 3.06Å; K353-D355 PolarHBondContact O-N 2.88Å
354	Y	93.8	Very high	93.1	Very high	19 Å²	19	45.6 Å²	45.6	8%	0.075	20%	0.199	C	C	.	.	S	Bend	trans	-72.3	118.5	173	-172.2	-115	0	0	0	108.7	M350 F351 D356 W361 S362 Q365 Q440 E443 W447	M350-Y354 WeakPolarHBondContact O-CB 3.46Å; M350-Y354 PolarHBondContact O-N 3.05Å; M350-Y354 VanDerWaalsContact O-N 3.16Å; F351-Y354 PolarHBondContact O-N 3.26Å; Y354-D356 HydrophobicContact CD1-CB 3.7Å; Y354-D356 HydrophobicContact CE1-CB 3.67Å; Y354-D356 PolarHBondContact O-N 3.12Å; Y354-W361 HydrophobicContact CE1-CB 4.28Å; Y354-S362 WeakPolarHBondContact CD1-OG 3.34Å; Y354-Q365 HydrophobicContact CD1-CB 4.19Å; Y354-Q365 HydrophobicContact CD2-CB 4.03Å; Y354-Q365 HydrophobicContact CD2-CG 3.59Å; Y354-Q365 HydrophobicContact CE1-CB 4.2Å; Y354-Q365 HydrophobicContact CE2-CB 4.08Å; Y354-Q365 HydrophobicContact CE2-CG 3.79Å; Y354-Q365 HydrophobicContact CG-CB 4.08Å; Y354-Q365 HydrophobicContact CG-CG 4.03Å; Y354-Q440 PolarHBondContact OH-NE2 3.4Å; Y354-E443 HydrophobicContact CE1-CB 3.99Å; Y354-E443 HydrophobicContact CE2-CB 4.16Å; Y354-W447 VanDerWaalsContact O-CD1 3.26Å
355	D	92.1	Very high	93.2	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.118	20%	0.204	C	C	.	.			trans	-78.6	68.9	-173.7	-174.7	16.4	0	0	0	111.6	D243 K244 K353 E443 G445 G446 W447 G448	D243-D355 WeakPolarHBondContact CB-OD2 3.41Å; K244-D355 VanDerWaalsContact CB-OD2 3.27Å; K244-D355 WeakPolarHBondContact CB-OD2 3.26Å; K244-D355 PolarHBondContact N-OD2 2.7Å; K353-D355 PolarHBondContact O-N 2.88Å; D355-E443 WeakPolarHBondContact O-CB 3.3Å; D355-E443 WeakPolarHBondContact O-CG 3.29Å; D355-G445 WeakPolarHBondContact O-CA 3.37Å; D355-G445 PolarHBondContact O-N 3.17Å; D355-G445 WeakPolarHBondContact OD1-CA 3.36Å; D355-G446 PolarHBondContact OD1-N 2.76Å; D355-W447 WeakPolarHBondContact OD1-CA 3.3Å; D355-W447 PolarHBondContact OD1-N 2.95Å; D355-G448 PolarHBondContact OD1-N 3.46Å
356	D	91.5	Very high	93.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-139.1	132.4	171.8	-155.4	-65.9	0	0	0	110.3	Y354 N358 W361 E443 N444 G445 W447	Y354-D356 HydrophobicContact CD1-CB 3.7Å; Y354-D356 HydrophobicContact CE1-CB 3.67Å; Y354-D356 PolarHBondContact O-N 3.12Å; D356-N358 PolarHBondContact O-N 3.37Å; D356-N358 VanDerWaalsContact OD1-CB 3.3Å; D356-N358 WeakPolarHBondContact OD1-CB 3.29Å; D356-N358 PolarHBondContact OD1-N 3.37Å; D356-N358 PolarHBondContact OD1-ND2 2.83Å; D356-W361 HydrophobicContact CB-CB 4.46Å; D356-E443 HydrophobicContact CB-CB 4.09Å; D356-E443 WeakPolarHBondContact OD2-CA 3.03Å; D356-N444 PolarHBondContact OD2-N 3.45Å; D356-G445 CarbonylContact C-O 3.58Å; D356-G445 WeakPolarHBondContact CA-O 3.39Å; D356-W447 WeakPolarHBondContact O-CB 3.37Å
357	Y	87	Confident	93.7	Very high	124 Å²	124	35.7 Å²	35.7	49%	0.486	16%	0.161	S	C	.	.	S	Bend	trans	-70.8	-14.3	175.5	68.3	-97.5	0	0	0	113.5	N444 G445	Y357-N444 HydrophobicContact CD1-CB 4.07Å; Y357-N444 HydrophobicContact CE1-CB 3.52Å; Y357-G445 WeakPolarHBondContact CD1-O 3.42Å; Y357-G445 PolarHBondContact N-O 3.09Å
358	N	90.1	Very high	93.7	Very high	43 Å²	43	36.9 Å²	36.9	23%	0.23	17%	0.167	C	C	.	.			trans	-89.8	112	176.9	-55.7	-84.7	0	0	0	110.5	D356 D360 W361 S362 N444	D356-N358 PolarHBondContact O-N 3.37Å; D356-N358 VanDerWaalsContact OD1-CB 3.3Å; D356-N358 WeakPolarHBondContact OD1-CB 3.29Å; D356-N358 PolarHBondContact OD1-N 3.37Å; D356-N358 PolarHBondContact OD1-ND2 2.83Å; N358-D360 WeakPolarHBondContact CB-OD1 3.37Å; N358-D360 PolarHBondContact O-N 2.72Å; N358-W361 HydrophobicContact CB-CB 4.22Å; N358-W361 HydrophobicContact CB-CG 4.1Å; N358-W361 PolarHBondContact O-N 2.65Å; N358-W361 VanDerWaalsContact O-N 3.09Å; N358-S362 PolarHBondContact O-N 3.19Å; N358-N444 PolarHBondContact ND2-ND2 3.35Å
359	W	89.9	Confident	93.9	Very high	81 Å²	81	43.1 Å²	43.1	31%	0.307	19%	0.192	S	C	.	.	H	α-helix	trans	-58	-33.5	-178.5	68.9	-97.9	0	0	0	113.1	N331 M334 F351 W361 S362 L363	N331-W359 HydrophobicContact CB-CH2 4.18Å; N331-W359 HydrophobicContact CB-CZ2 4.45Å; M334-W359 HydrophobicContact CE-CH2 3.21Å; M334-W359 HydrophobicContact CE-CZ2 4.25Å; M334-W359 HydrophobicContact CE-CZ3 3.51Å; M334-W359 HydrophobicContact SD-CH2 3.91Å; M334-W359 HydrophobicContact SD-CZ3 4.29Å; F351-W359 WeakPolarHBondContact CE2-O 3.46Å; F351-W359 HydrophobicContact CZ-CB 4.2Å; W359-W361 VanDerWaalsContact C-N 3.35Å; W359-S362 WeakPolarHBondContact O-CB 3.45Å; W359-S362 PolarHBondContact O-N 3.03Å; W359-L363 HydrophobicContact CZ3-CD2 4Å; W359-L363 PolarHBondContact O-N 2.71Å
360	D	92.7	Very high	94	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-73.4	-28.4	-178.1	65.3	-23.4	0	0	0	111.7	W325 S327 N331 N358 L363 L364	W325-D360 HydrophobicContact CH2-CB 4.35Å; W325-D360 WeakPolarHBondContact CH2-O 3.45Å; S327-D360 VanDerWaalsContact CB-O 3.23Å; S327-D360 WeakPolarHBondContact CB-O 3.35Å; N331-D360 HydrophobicContact CB-CB 4.17Å; N331-D360 PolarHBondContact ND2-OD2 3.16Å; N358-D360 WeakPolarHBondContact CB-OD1 3.37Å; N358-D360 PolarHBondContact O-N 2.72Å; D360-L363 PolarHBondContact O-N 3.49Å; D360-L364 WeakPolarHBondContact O-CB 3.49Å; D360-L364 PolarHBondContact O-N 3.44Å
361	W	95	Very high	94.1	Very high	38 Å²	38	37.8 Å²	37.8	14%	0.144	17%	0.172	C	C	.	.	H	α-helix	trans	-72	-38.8	171.1	-73.4	36.9	0	0	0	111.3	Y354 D356 N358 W359 L363 L364 Q365 P441 K442 N444	Y354-W361 HydrophobicContact CE1-CB 4.28Å; D356-W361 HydrophobicContact CB-CB 4.46Å; N358-W361 HydrophobicContact CB-CB 4.22Å; N358-W361 HydrophobicContact CB-CG 4.1Å; N358-W361 PolarHBondContact O-N 2.65Å; N358-W361 VanDerWaalsContact O-N 3.09Å; W359-W361 VanDerWaalsContact C-N 3.35Å; W361-L363 VanDerWaalsContact C-N 3.31Å; W361-L363 PolarHBondContact O-N 3.26Å; W361-L364 WeakPolarHBondContact O-CB 2.94Å; W361-L364 PolarHBondContact O-N 3.45Å; W361-Q365 PolarHBondContact O-N 2.89Å; W361-P441 HydrophobicContact CE3-CB 4.46Å; W361-P441 HydrophobicContact CH2-CB 3.74Å; W361-P441 HydrophobicContact CH2-CG 4.05Å; W361-P441 HydrophobicContact CZ2-CB 4.38Å; W361-P441 HydrophobicContact CZ2-CG 4.19Å; W361-P441 HydrophobicContact CZ3-CB 3.81Å; W361-P441 HydrophobicContact CZ3-CG 4.42Å; W361-K442 WeakPolarHBondContact CZ3-O 3.07Å; W361-N444 VanDerWaalsContact CH2-ND2 3.33Å; W361-N444 WeakPolarHBondContact CH2-ND2 3.48Å; W361-N444 WeakPolarHBondContact CZ3-ND2 3.08Å
362	S	94.3	Very high	94.1	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-41.3	169.4	-58.4	0	0	0	0	111.6	Y354 N358 W359 Q365 V366	Y354-S362 WeakPolarHBondContact CD1-OG 3.34Å; N358-S362 PolarHBondContact O-N 3.19Å; W359-S362 WeakPolarHBondContact O-CB 3.45Å; W359-S362 PolarHBondContact O-N 3.03Å; S362-Q365 WeakPolarHBondContact O-CB 3.19Å; S362-Q365 PolarHBondContact O-N 3.37Å; S362-V366 PolarHBondContact O-N 3.35Å
363	L	95.5	Very high	94.2	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-37.9	173.8	-175.9	57.9	0	0	0	112.4	W325 I344 F351 W359 D360 W361 Q365 V366 S367 L375	W325-L363 HydrophobicContact CH2-CB 4.06Å; W325-L363 HydrophobicContact CH2-CD2 3.77Å; W325-L363 HydrophobicContact CH2-CG 3.92Å; W325-L363 HydrophobicContact CZ2-CD2 4.03Å; W325-L363 HydrophobicContact CZ3-CB 4.27Å; W325-L363 HydrophobicContact CZ3-CD2 4.28Å; W325-L363 HydrophobicContact CZ3-CG 4.01Å; I344-L363 HydrophobicContact CD1-CD1 3.81Å; I344-L363 HydrophobicContact CG1-CD1 3.94Å; I344-L363 HydrophobicContact CG2-CD1 3.82Å; F351-L363 HydrophobicContact CE2-CB 4.08Å; W359-L363 HydrophobicContact CZ3-CD2 4Å; W359-L363 PolarHBondContact O-N 2.71Å; D360-L363 PolarHBondContact O-N 3.49Å; W361-L363 VanDerWaalsContact C-N 3.31Å; W361-L363 PolarHBondContact O-N 3.26Å; L363-Q365 VanDerWaalsContact C-N 3.33Å; L363-Q365 PolarHBondContact O-N 3.09Å; L363-V366 WeakPolarHBondContact O-CB 3.45Å; L363-V366 PolarHBondContact O-N 2.97Å; L363-S367 WeakPolarHBondContact O-CB 3.49Å; L363-S367 PolarHBondContact O-N 3.07Å; L363-L375 HydrophobicContact CD1-CD1 4Å; L363-L375 HydrophobicContact CG-CD1 4.21Å
364	L	96.5	Very high	94.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-38.9	175.7	-177	56.9	0	0	0	111.6	W325 F326 S327 D360 W361 S367 N368 Q440	W325-L364 HydrophobicContact CE3-CD1 4.17Å; W325-L364 HydrophobicContact CZ3-CB 3.86Å; W325-L364 HydrophobicContact CZ3-CD1 4.17Å; F326-L364 HydrophobicContact CD2-CD1 4.14Å; F326-L364 HydrophobicContact CD2-CD2 3.95Å; F326-L364 HydrophobicContact CE2-CD2 3.72Å; F326-L364 HydrophobicContact CG-CD2 4.47Å; F326-L364 HydrophobicContact CZ-CD2 4.05Å; S327-L364 WeakPolarHBondContact OG-CD2 2.94Å; D360-L364 WeakPolarHBondContact O-CB 3.49Å; D360-L364 PolarHBondContact O-N 3.44Å; W361-L364 WeakPolarHBondContact O-CB 2.94Å; W361-L364 PolarHBondContact O-N 3.45Å; L364-S367 WeakPolarHBondContact O-CB 3.32Å; L364-S367 PolarHBondContact O-N 2.9Å; L364-N368 WeakPolarHBondContact O-CB 3.37Å; L364-N368 PolarHBondContact O-N 3.3Å; L364-N368 PolarHBondContact O-ND2 3.17Å; L364-Q440 HydrophobicContact CD2-CB 4.23Å; L364-Q440 HydrophobicContact CD2-CG 3.87Å; L364-Q440 HydrophobicContact CG-CG 4.15Å
365	Q	96.6	Very high	94.4	Very high	37 Å²	37	51.8 Å²	51.8	17%	0.173	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-47.8	173.4	-179.2	69.7	-12.1	0	0	111.1	M350 Y354 W361 S362 L363 S367 N368 K369	M350-Q365 HydrophobicContact CG-CG 4.13Å; M350-Q365 HydrophobicContact SD-CG 4Å; Y354-Q365 HydrophobicContact CD1-CB 4.19Å; Y354-Q365 HydrophobicContact CD2-CB 4.03Å; Y354-Q365 HydrophobicContact CD2-CG 3.59Å; Y354-Q365 HydrophobicContact CE1-CB 4.2Å; Y354-Q365 HydrophobicContact CE2-CB 4.08Å; Y354-Q365 HydrophobicContact CE2-CG 3.79Å; Y354-Q365 HydrophobicContact CG-CB 4.08Å; Y354-Q365 HydrophobicContact CG-CG 4.03Å; W361-Q365 PolarHBondContact O-N 2.89Å; S362-Q365 WeakPolarHBondContact O-CB 3.19Å; S362-Q365 PolarHBondContact O-N 3.37Å; L363-Q365 VanDerWaalsContact C-N 3.33Å; L363-Q365 PolarHBondContact O-N 3.09Å; Q365-S367 VanDerWaalsContact C-N 3.33Å; Q365-S367 PolarHBondContact O-N 2.94Å; Q365-N368 PolarHBondContact O-N 3.45Å; Q365-N368 VanDerWaalsContact O-N 3.16Å; Q365-K369 WeakPolarHBondContact O-CB 3.33Å; Q365-K369 PolarHBondContact O-N 3.2Å
366	V	96.7	Very high	94.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.4	-48.8	174.8	164.8	0	0	0	0	111.2	C347 M350 F351 S362 L363 N368 K369 C370 L371	C347-V366 HydrophobicContact CB-CB 4.35Å; C347-V366 HydrophobicContact CB-CG1 3.47Å; C347-V366 VanDerWaalsContact CB-CG1 3.47Å; C347-V366 HydrophobicContact CB-CG2 4.02Å; M350-V366 HydrophobicContact CB-CG2 4.36Å; M350-V366 HydrophobicContact CG-CG2 4.35Å; F351-V366 HydrophobicContact CB-CG2 3.81Å; F351-V366 HydrophobicContact CD2-CG2 4.27Å; S362-V366 PolarHBondContact O-N 3.35Å; L363-V366 WeakPolarHBondContact O-CB 3.45Å; L363-V366 PolarHBondContact O-N 2.97Å; V366-N368 VanDerWaalsContact C-N 3.29Å; V366-N368 PolarHBondContact O-N 2.82Å; V366-K369 PolarHBondContact O-N 2.85Å; V366-C370 HydrophobicContact CG1-CB 4.45Å; V366-C370 PolarHBondContact O-N 3.48Å; V366-L371 HydrophobicContact CG1-CD1 4.39Å; V366-L371 HydrophobicContact CG1-CD2 4.28Å; V366-L371 HydrophobicContact CG1-CG 3.98Å; V366-L371 PolarHBondContact O-N 3.4Å
367	S	96.9	Very high	94.9	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-42.5	177.3	180	0	0	0	0	112.4	L363 L364 Q365 R374 L375	L363-S367 WeakPolarHBondContact O-CB 3.49Å; L363-S367 PolarHBondContact O-N 3.07Å; L364-S367 WeakPolarHBondContact O-CB 3.32Å; L364-S367 PolarHBondContact O-N 2.9Å; Q365-S367 VanDerWaalsContact C-N 3.33Å; Q365-S367 PolarHBondContact O-N 2.94Å; S367-R374 WeakPolarHBondContact O-CA 3.36Å; S367-L375 WeakPolarHBondContact OG-CB 3.36Å; S367-L375 PolarHBondContact OG-N 3.34Å
368	N	95.7	Very high	95.4	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-83.3	-26.4	-174.2	-75.6	-33.1	0	0	0	114.6	L364 Q365 V366 R374 Q440	L364-N368 WeakPolarHBondContact O-CB 3.37Å; L364-N368 PolarHBondContact O-N 3.3Å; L364-N368 PolarHBondContact O-ND2 3.17Å; Q365-N368 PolarHBondContact O-N 3.45Å; Q365-N368 VanDerWaalsContact O-N 3.16Å; V366-N368 VanDerWaalsContact C-N 3.29Å; V366-N368 PolarHBondContact O-N 2.82Å; N368-R374 WeakPolarHBondContact OD1-CD 3.37Å; N368-R374 PolarHBondContact OD1-NE 3.37Å; N368-Q440 PolarHBondContact ND2-OE1 3.1Å
369	K	96.2	Very high	95.6	Very high	141 Å²	141	44.1 Å²	44.1	61%	0.613	20%	0.198	S	C	*	.	H	α-helix	trans	-127.7	-27.5	-164.3	-59.3	-62.7	-177	176.1	0	115.1	M350 Q365 V366	M350-K369 HydrophobicContact CE-CB 3.88Å; M350-K369 HydrophobicContact SD-CB 3.68Å; Q365-K369 WeakPolarHBondContact O-CB 3.33Å; Q365-K369 PolarHBondContact O-N 3.2Å; V366-K369 PolarHBondContact O-N 2.85Å
370	C	97.8	Very high	95.8	Very high	49 Å²	49	40.3 Å²	40.3	33%	0.331	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-43.8	-179	-177.6	0	0	0	0	112.6	C347 M350 V366	C347-C370 VanDerWaalsContact CA-SG 3.54Å; C347-C370 HydrophobicContact CB-CB 3.64Å; C347-C370 WeakPolarHBondContact CB-SG 3.5Å; C347-C370 WeakPolarHBondContact SG-CB 3.42Å; C347-C370 CovalentContact SG-SG 2.02Å; C347-C370 PolarHBondContact SG-SG 3.11Å; M350-C370 HydrophobicContact CB-CB 4.49Å; M350-C370 HydrophobicContact CE-CB 3.9Å; M350-C370 HydrophobicContact SD-CB 3.58Å; M350-C370 VanDerWaalsContact SD-CB 3.58Å; V366-C370 HydrophobicContact CG1-CB 4.45Å; V366-C370 PolarHBondContact O-N 3.48Å
371	L	97	Very high	95.8	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.131	19%	0.19	C	C	.	.	S	Bend	trans	-69.4	141.2	179.9	-59.2	-176.7	0	0	0	111.3	L343 V366 K373 L375	L343-L371 HydrophobicContact CB-CD2 4.08Å; L343-L371 WeakPolarHBondContact O-CD2 3.49Å; V366-L371 HydrophobicContact CG1-CD1 4.39Å; V366-L371 HydrophobicContact CG1-CD2 4.28Å; V366-L371 HydrophobicContact CG1-CG 3.98Å; V366-L371 PolarHBondContact O-N 3.4Å; L371-K373 VanDerWaalsContact C-N 3.26Å; L371-K373 WeakPolarHBondContact CB-O 3.3Å; L371-K373 PolarHBondContact O-N 3Å; L371-L375 HydrophobicContact CD1-CD1 4.35Å; L371-L375 HydrophobicContact CD1-CD2 3.51Å; L371-L375 HydrophobicContact CD1-CG 3.63Å
372	K	94.9	Very high	95.7	Very high	221 Å²	221	39.3 Å²	39.3	96%	0.961	18%	0.183	S	C	*	.	S	Bend	trans	-61.2	-36.8	176.5	-65.3	-174.7	179.7	-177.2	0	112.4
373	K	93.8	Very high	95.7	Very high	122 Å²	122	39.5 Å²	39.5	53%	0.53	19%	0.185	S	C	.	.	S	Bend	trans	-121	140.6	171.9	-70.5	-175.2	175.9	-176.8	0	107.6	D298 L371	D298-K373 IonicContact OD1-NZ 2.65Å; D298-K373 PolarHBondContact OD1-NZ 3.33Å; D298-K373 IonicContact OD2-NZ 3.22Å; L371-K373 VanDerWaalsContact C-N 3.26Å; L371-K373 WeakPolarHBondContact CB-O 3.3Å; L371-K373 PolarHBondContact O-N 3Å
374	R	94.9	Very high	95.8	Very high	125 Å²	125	39.2 Å²	39.2	47%	0.472	18%	0.183	S	C	.	.			trans	-61.2	146.1	173.7	-64	-173.1	-179	179.9	-0	109.9	S367 N368 T376	S367-R374 WeakPolarHBondContact O-CA 3.36Å; N368-R374 WeakPolarHBondContact OD1-CD 3.37Å; N368-R374 PolarHBondContact OD1-NE 3.37Å; R374-T376 PolarHBondContact O-N 2.93Å; R374-T376 PolarHBondContact O-OG1 2.68Å
375	L	97.3	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.183	C	C	.	.			trans	-55.3	134.5	167.9	-64.2	175.3	0	0	0	108.8	H300 I301 W325 T340 I344 L363 S367 L371	H300-L375 HydrophobicContact CB-CD2 3.86Å; I301-L375 HydrophobicContact CD1-CB 4.3Å; I301-L375 HydrophobicContact CD1-CD1 4.07Å; W325-L375 HydrophobicContact CB-CB 3.82Å; W325-L375 WeakPolarHBondContact CB-O 3.49Å; W325-L375 HydrophobicContact CG-CB 4.49Å; W325-L375 PolarHBondContact N-O 3.05Å; T340-L375 HydrophobicContact CG2-CD2 4.2Å; I344-L375 HydrophobicContact CD1-CD1 4.48Å; L363-L375 HydrophobicContact CD1-CD1 4Å; L363-L375 HydrophobicContact CG-CD1 4.21Å; S367-L375 WeakPolarHBondContact OG-CB 3.36Å; S367-L375 PolarHBondContact OG-N 3.34Å; L371-L375 HydrophobicContact CD1-CD1 4.35Å; L371-L375 HydrophobicContact CD1-CD2 3.51Å; L371-L375 HydrophobicContact CD1-CG 3.63Å
376	T	97	Very high	95.8	Very high	13 Å²	13	38 Å²	38	8%	0.08	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.1	177.7	-60.4	0	0	0	0	107.5	H300 I301 I322 L323 R374 L431	H300-T376 PolarHBondContact N-O 2.82Å; I301-T376 PolarHBondContact N-O 3.27Å; I301-T376 VanDerWaalsContact N-O 3.14Å; I322-T376 HydrophobicContact CG2-CG2 3.69Å; L323-T376 WeakPolarHBondContact O-CG2 3.45Å; R374-T376 PolarHBondContact O-N 2.93Å; R374-T376 PolarHBondContact O-OG1 2.68Å; T376-L431 HydrophobicContact CG2-CD1 4.05Å; T376-L431 HydrophobicContact CG2-CD2 3.98Å
377	T	97.1	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.4	-178.3	-176.6	0	0	0	0	111.8	I301 T303 I322 L323 W325 H330 V379	I301-T377 CarbonylContact O-C 3.38Å; I301-T377 VanDerWaalsContact O-CA 3.26Å; I301-T377 WeakPolarHBondContact O-CA 3.46Å; I301-T377 PolarHBondContact O-OG1 2.86Å; T303-T377 PolarHBondContact OG1-OG1 3.48Å; I322-T377 WeakPolarHBondContact CA-O 3.49Å; L323-T377 HydrophobicContact CB-CG2 4.46Å; L323-T377 PolarHBondContact N-O 3.04Å; L323-T377 PolarHBondContact O-N 2.93Å; W325-T377 HydrophobicContact CB-CG2 4.13Å; W325-T377 HydrophobicContact CG-CG2 4.48Å; H330-T377 HydrophobicContact CB-CG2 4.21Å; T377-V379 HydrophobicContact CG2-CG2 3.64Å
378	L	96.6	Very high	95.4	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.8	161.8	-172.5	159.4	0	0	0	108.4	I288 M292 V295 I301 I302 T303 Y320 L321 L380	I288-L378 HydrophobicContact CD1-CD2 4.1Å; I288-L378 HydrophobicContact CG1-CD2 4.26Å; I288-L378 HydrophobicContact CG2-CD1 3.82Å; I288-L378 HydrophobicContact CG2-CD2 3.65Å; I288-L378 HydrophobicContact CG2-CG 4.24Å; M292-L378 HydrophobicContact CE-CB 3.9Å; M292-L378 HydrophobicContact CE-CD1 4.12Å; M292-L378 HydrophobicContact SD-CD1 4.28Å; V295-L378 HydrophobicContact CG1-CD1 4.34Å; I301-L378 PolarHBondContact O-N 2.04Å; I302-L378 CarbonylContact C-O 3.57Å; I302-L378 WeakPolarHBondContact CA-O 3.22Å; T303-L378 PolarHBondContact N-O 2.88Å; Y320-L378 HydrophobicContact CD2-CD1 3.69Å; Y320-L378 HydrophobicContact CD2-CD2 4Å; Y320-L378 HydrophobicContact CD2-CG 3.65Å; Y320-L378 HydrophobicContact CE2-CD1 3.91Å; Y320-L378 HydrophobicContact CE2-CG 4.34Å; Y320-L378 HydrophobicContact CG-CD1 4.22Å; Y320-L378 HydrophobicContact CG-CD2 3.91Å; Y320-L378 HydrophobicContact CG-CG 4.09Å; L321-L378 CarbonylContact O-C 3.46Å; L321-L378 WeakPolarHBondContact O-CA 3.1Å; L378-L380 HydrophobicContact CD2-CD2 4.37Å
379	V	95.3	Very high	95.1	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.085	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.7	-177.4	-168.8	0	0	0	0	109.3	T303 Y320 L321 L323 T377 S381	T303-V379 HydrophobicContact CG2-CG1 4.17Å; Y320-V379 CarbonylContact C-O 3.57Å; Y320-V379 VanDerWaalsContact CA-O 3.24Å; Y320-V379 WeakPolarHBondContact CA-O 3.49Å; Y320-V379 WeakPolarHBondContact CB-O 2.83Å; L321-V379 PolarHBondContact N-O 3Å; L321-V379 PolarHBondContact O-N 3.28Å; L323-V379 HydrophobicContact CD1-CG2 4.27Å; T377-V379 HydrophobicContact CG2-CG2 3.64Å; V379-S381 PolarHBondContact O-N 2.9Å
380	L	94.9	Very high	94	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	128.8	169.7	-69.8	-175.8	0	0	0	109.9	I288 T303 L304 L378 G382 R384 F425	I288-L380 HydrophobicContact CD1-CD2 3.92Å; I288-L380 HydrophobicContact CG1-CD2 3.72Å; T303-L380 PolarHBondContact O-N 3.26Å; T303-L380 VanDerWaalsContact O-N 3.15Å; L304-L380 HydrophobicContact CD2-CD1 3.53Å; L304-L380 HydrophobicContact CD2-CG 4.22Å; L378-L380 HydrophobicContact CD2-CD2 4.37Å; L380-G382 WeakPolarHBondContact CB-O 3.29Å; L380-R384 HydrophobicContact CD1-CG 4.31Å; L380-F425 HydrophobicContact CD2-CD1 3.89Å; L380-F425 HydrophobicContact CD2-CE1 3.75Å
381	S	92.3	Very high	92.6	Very high	28 Å²	28	34.7 Å²	34.7	20%	0.196	17%	0.167	C	C	.	.	S	Bend	trans	-66.5	-40	-180	-174.4	0	0	0	0	111.4	V315 K316 E319 V379 P383	V315-S381 WeakPolarHBondContact CG1-O 3.3Å; K316-S381 WeakPolarHBondContact O-CB 3Å; E319-S381 VanDerWaalsContact O-CB 3.26Å; E319-S381 WeakPolarHBondContact O-CB 3.47Å; E319-S381 PolarHBondContact O-N 2.78Å; V379-S381 PolarHBondContact O-N 2.9Å; S381-P383 WeakPolarHBondContact O-CD 3.2Å
382	G	92.9	Very high	90.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-83.7	113.2	167	0	0	0	0	0	109.8	L380 R384	L380-G382 WeakPolarHBondContact CB-O 3.29Å; G382-R384 WeakPolarHBondContact O-CD 3.24Å; G382-R384 PolarHBondContact O-NH1 2.81Å
383	P	94.4	Very high	88.5	Confident	9 Å²	9	31.7 Å²	31.7	6%	0.058	18%	0.177	C	C	.	.			trans	-67.3	137.9	180	27.7	-34.5	0	0	0	111	L304 W317 S381 F386	L304-P383 CarbonylContact O-C 3.2Å; L304-P383 WeakPolarHBondContact O-CA 3.21Å; W317-P383 WeakPolarHBondContact CH2-O 3.07Å; W317-P383 WeakPolarHBondContact CZ3-O 3.37Å; S381-P383 WeakPolarHBondContact O-CD 3.2Å; P383-F386 HydrophobicContact CB-CE1 4.12Å; P383-F386 HydrophobicContact CB-CZ 4.41Å; P383-F386 HydrophobicContact CG-CD1 4.46Å; P383-F386 HydrophobicContact CG-CE1 3.65Å; P383-F386 HydrophobicContact CG-CZ 4.14Å; P383-F386 WeakPolarHBondContact O-CZ 3.49Å
384	R	96.8	Very high	86.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-104	-8.7	172.3	-79	39.3	-170.3	-142.7	0.1	111.8	V277 S278 D280 F281 S284 L304 W317 L380 G382	V277-R384 CarbonylContact C-O 3.48Å; V277-R384 VanDerWaalsContact CA-O 3.22Å; V277-R384 WeakPolarHBondContact CA-O 3.35Å; S278-R384 PolarHBondContact N-O 3.04Å; S278-R384 WeakPolarHBondContact OG-CA 3.44Å; S278-R384 WeakPolarHBondContact OG-CB 3.49Å; S278-R384 VanDerWaalsContact OG-CG 3.26Å; S278-R384 WeakPolarHBondContact OG-CG 2.99Å; D280-R384 IonicContact OD1-NE 3.19Å; D280-R384 PolarHBondContact OD1-NE 2.94Å; D280-R384 IonicContact OD2-CZ 2.83Å; D280-R384 IonicContact OD2-NE 3.7Å; D280-R384 PolarHBondContact OD2-NE 3.08Å; D280-R384 VanDerWaalsContact OD2-NE 3.15Å; D280-R384 IonicContact OD2-NH2 3.09Å; D280-R384 PolarHBondContact OD2-NH2 2.89Å; F281-R384 HydrophobicContact CB-CB 4.22Å; F281-R384 HydrophobicContact CD2-CB 3.95Å; S284-R384 PolarHBondContact OG-NE 2.64Å; S284-R384 PolarHBondContact OG-NH2 3.17Å; L304-R384 HydrophobicContact CB-CB 4.42Å; L304-R384 PolarHBondContact O-N 3.13Å; W317-R384 PolarHBondContact O-NH1 2.93Å; W317-R384 PolarHBondContact O-NH2 3.45Å; L380-R384 HydrophobicContact CD1-CG 4.31Å; G382-R384 WeakPolarHBondContact O-CD 3.24Å; G382-R384 PolarHBondContact O-NH1 2.81Å
385	V	97.4	Very high	84.4	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.3	175.5	-175.1	0	0	0	0	109	L271 H275 Y276 V277 F281 L304 G305 M332	L271-V385 HydrophobicContact CD2-CG1 3.8Å; L271-V385 HydrophobicContact CD2-CG2 3.89Å; H275-V385 HydrophobicContact CB-CG1 3.84Å; Y276-V385 WeakPolarHBondContact O-CA 3.33Å; V277-V385 HydrophobicContact CG1-CG2 4.23Å; F281-V385 HydrophobicContact CD2-CG2 3.78Å; F281-V385 HydrophobicContact CE2-CG2 3.47Å; F281-V385 VanDerWaalsContact CE2-CG2 3.47Å; L304-V385 HydrophobicContact CB-CG2 3.79Å; L304-V385 PolarHBondContact O-N 3.14Å; G305-V385 WeakPolarHBondContact CA-O 3.28Å; M332-V385 WeakPolarHBondContact CE-O 3.31Å; M332-V385 HydrophobicContact CG-CB 4.34Å; M332-V385 HydrophobicContact CG-CG1 3.77Å; M332-V385 HydrophobicContact SD-CG1 4.33Å
386	F	95	Very high	82.1	Confident	11 Å²	11	42.1 Å²	42.1	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.2	-176	-55.8	-84.8	0	0	0	110.1	H275 Y276 F310 W317 P383 V409 L413	H275-F386 CarbonylContact C-O 3.58Å; H275-F386 VanDerWaalsContact CA-O 3.25Å; H275-F386 WeakPolarHBondContact CA-O 3.44Å; Y276-F386 PolarHBondContact N-O 2.93Å; Y276-F386 WeakPolarHBondContact O-CD2 3.35Å; Y276-F386 PolarHBondContact O-N 3.22Å; F310-F386 AromaticContact CE1-CE1 3.99Å; F310-F386 HydrophobicContact CE1-CE1 3.99Å; F310-F386 HydrophobicContact CE2-CD1 4.18Å; F310-F386 AromaticContact CE2-CE1 3.94Å; F310-F386 HydrophobicContact CE2-CE1 3.94Å; F310-F386 AromaticContact CZ-CD1 3.94Å; F310-F386 HydrophobicContact CZ-CD1 3.94Å; F310-F386 AromaticContact CZ-CE1 3.27Å; F310-F386 HydrophobicContact CZ-CE1 3.27Å; F310-F386 HydrophobicContact CZ-CZ 4.08Å; W317-F386 AromaticContact CH2-CZ 3.91Å; W317-F386 HydrophobicContact CH2-CZ 3.91Å; P383-F386 HydrophobicContact CB-CE1 4.12Å; P383-F386 HydrophobicContact CB-CZ 4.41Å; P383-F386 HydrophobicContact CG-CD1 4.46Å; P383-F386 HydrophobicContact CG-CE1 3.65Å; P383-F386 HydrophobicContact CG-CZ 4.14Å; P383-F386 WeakPolarHBondContact O-CZ 3.49Å; F386-V409 HydrophobicContact CB-CG1 4.13Å; F386-V409 HydrophobicContact CB-CG2 3.89Å; F386-V409 HydrophobicContact CD1-CG1 4.31Å; F386-V409 HydrophobicContact CD2-CG1 3.51Å; F386-V409 HydrophobicContact CE2-CG1 4Å; F386-V409 HydrophobicContact CG-CG1 3.7Å; F386-V409 HydrophobicContact CG-CG2 4.15Å; F386-L413 HydrophobicContact CE2-CD1 4.27Å; F386-L413 HydrophobicContact CE2-CD2 4.1Å; F386-L413 HydrophobicContact CE2-CG 4.48Å; F386-L413 HydrophobicContact CZ-CD2 4.1Å
387	H	93.5	Very high	80.2	Confident	46 Å²	46	45.6 Å²	45.6	21%	0.213	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.1	171.1	-175.1	-125.8	0	0	0	109.7	D274 Y307 M332 G389 D390	D274-H387 IonicContact OD1-CD2 3.78Å; D274-H387 PolarHBondContact OD1-CD2 2.99Å; D274-H387 IonicContact OD1-NE2 2.71Å; D274-H387 IonicContact OD2-CD2 2.81Å; D274-H387 IonicContact OD2-NE2 3.85Å; D274-H387 PolarHBondContact OD2-NE2 3.26Å; D274-H387 VanDerWaalsContact OD2-NE2 3.09Å; Y307-H387 HydrophobicContact CE1-CB 4.4Å; M332-H387 HydrophobicContact SD-CB 3.71Å; M332-H387 PolarHBondContact SD-N 3.21Å; H387-G389 VanDerWaalsContact CE1-C 3.46Å; H387-G389 WeakPolarHBondContact NE2-CA 3.14Å; H387-D390 PolarHBondContact CE1-N 2.88Å; H387-D390 IonicContact CE1-OD1 2.59Å; H387-D390 PolarHBondContact CE1-OD1 2.81Å; H387-D390 VanDerWaalsContact ND1-CG 3.26Å; H387-D390 IonicContact ND1-OD1 2.88Å; H387-D390 PolarHBondContact ND1-OD1 3.06Å; H387-D390 IonicContact ND1-OD2 3.77Å
388	I	92.9	Very high	78.6	Confident	2 Å²	2	54 Å²	54	1%	0.01	30%	0.304	C	S	.	.			trans	-107.1	-5.7	176	57.3	161	0	0	0	112.4	Y156 K159 D274 D390 S405 A406 V409	Y156-I388 HydrophobicContact CD1-CD1 3.78Å; Y156-I388 HydrophobicContact CD1-CG1 3.84Å; Y156-I388 HydrophobicContact CE1-CD1 4.36Å; Y156-I388 HydrophobicContact CE1-CG1 4.21Å; Y156-I388 VanDerWaalsContact CE1-O 3.29Å; Y156-I388 WeakPolarHBondContact CE1-O 3.26Å; K159-I388 HydrophobicContact CB-CD1 3.73Å; K159-I388 HydrophobicContact CG-CD1 4.26Å; D274-I388 HydrophobicContact CB-CG1 4.44Å; D274-I388 WeakPolarHBondContact O-CG1 3.44Å; D274-I388 PolarHBondContact O-N 2.72Å; I388-D390 VanDerWaalsContact C-N 3.3Å; I388-D390 PolarHBondContact O-N 3.32Å; I388-S405 WeakPolarHBondContact O-CB 3.42Å; I388-S405 PolarHBondContact O-OG 2.99Å; I388-A406 HydrophobicContact CD1-CB 4.26Å; I388-V409 HydrophobicContact CG2-CG2 3.9Å
389	G	88.1	Confident	77.2	Confident	14 Å²	14	59.9 Å²	59.9	14%	0.144	34%	0.339	C	S	.	.			trans	-78.3	1.6	-179.2	0	0	0	0	0	116.2	D274 H387 C391	D274-G389 WeakPolarHBondContact OD2-CA 3.3Å; H387-G389 VanDerWaalsContact CE1-C 3.46Å; H387-G389 WeakPolarHBondContact NE2-CA 3.14Å; G389-C391 PolarHBondContact O-N 3.04Å
390	D	73.5	Confident	76.4	Confident	62 Å²	62	61.2 Å²	61.2	33%	0.332	35%	0.349	S	S	.	.			trans	-63.3	-1.8	-177.8	-80.1	-21	0	0	0	114.7	R309 H387 I388 G392 H395	R309-D390 IonicContact CZ-OD2 3.33Å; R309-D390 IonicContact NE-OD2 2.69Å; R309-D390 IonicContact NH2-OD2 3.32Å; R309-D390 PolarHBondContact NH2-OD2 3.11Å; H387-D390 PolarHBondContact CE1-N 2.88Å; H387-D390 IonicContact CE1-OD1 2.59Å; H387-D390 PolarHBondContact CE1-OD1 2.81Å; H387-D390 VanDerWaalsContact ND1-CG 3.26Å; H387-D390 IonicContact ND1-OD1 2.88Å; H387-D390 PolarHBondContact ND1-OD1 3.06Å; H387-D390 IonicContact ND1-OD2 3.77Å; I388-D390 VanDerWaalsContact C-N 3.3Å; I388-D390 PolarHBondContact O-N 3.32Å; D390-G392 PolarHBondContact O-N 3.35Å; D390-H395 PolarHBondContact O-CD2 2.92Å; D390-H395 PolarHBondContact O-NE2 3.11Å; D390-H395 VanDerWaalsContact O-NE2 3.13Å
391	C	68.9	Low	76.1	Confident	32 Å²	32	63.9 Å²	63.9	22%	0.216	37%	0.365	C	S	.	.			trans	-70.8	69.6	-180	-63.7	0	0	0	0	113	G389 C400 S405	G389-C391 PolarHBondContact O-N 3.04Å; C391-C400 WeakPolarHBondContact CA-SG 3.34Å; C391-C400 HydrophobicContact CB-CB 3.64Å; C391-C400 WeakPolarHBondContact CB-SG 3.33Å; C391-C400 WeakPolarHBondContact SG-CA 3.4Å; C391-C400 WeakPolarHBondContact SG-CB 3.42Å; C391-C400 PolarHBondContact SG-O 2.67Å; C391-C400 CovalentContact SG-SG 2.04Å; C391-C400 PolarHBondContact SG-SG 2.83Å; C391-S405 PolarHBondContact SG-OG 2.92Å
392	G	53.8	Low	76	Confident	45 Å²	45	62.9 Å²	62.9	46%	0.464	36%	0.358	S	S	.	.	S	Bend	trans	-108.4	-178.4	177.2	0	0	0	0	0	114.7	D390 H394 H395	D390-G392 PolarHBondContact O-N 3.35Å; G392-H394 PolarHBondContact O-N 2.78Å; G392-H395 PolarHBondContact O-N 3.05Å
393	V	51.8	Low	76	Confident	139 Å²	139	66.2 Å²	66.2	84%	0.842	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-16.6	-174.4	-155.4	0	0	0	0	114.4
394	H	49.3	Very low	75.9	Confident	181 Å²	181	67.6 Å²	67.6	84%	0.838	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.2	-178.7	-63.5	-65.3	0	0	0	114.9	G392 K396	G392-H394 PolarHBondContact O-N 2.78Å; H394-K396 VanDerWaalsContact C-N 3.31Å; H394-K396 PolarHBondContact O-N 3.29Å; H394-K396 VanDerWaalsContact O-N 3.13Å
395	H	52.6	Low	75.6	Confident	83 Å²	83	68.4 Å²	68.4	38%	0.384	39%	0.392	S	S	.	.			trans	-88.1	65.6	174.8	-71.2	-53.6	0	0	0	112	D390 G392 G397	D390-H395 PolarHBondContact O-CD2 2.92Å; D390-H395 PolarHBondContact O-NE2 3.11Å; D390-H395 VanDerWaalsContact O-NE2 3.13Å; G392-H395 PolarHBondContact O-N 3.05Å; H395-G397 PolarHBondContact O-N 2.81Å; H395-G397 VanDerWaalsContact O-N 3.14Å
396	K	50.9	Low	75.4	Confident	202 Å²	202	68.5 Å²	68.5	88%	0.878	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	114.7	170.8	-66.7	-174.5	178.9	-176.5	0	109.6	H394	H394-K396 VanDerWaalsContact C-N 3.31Å; H394-K396 PolarHBondContact O-N 3.29Å; H394-K396 VanDerWaalsContact O-N 3.13Å
397	G	55.2	Low	75.4	Confident	85 Å²	85	72.4 Å²	72.4	88%	0.876	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	9.9	163.8	0	0	0	0	0	118.1	H395	H395-G397 PolarHBondContact O-N 2.81Å; H395-G397 VanDerWaalsContact O-N 3.14Å
398	K	64.2	Low	75.3	Confident	177 Å²	177	75 Å²	75	77%	0.77	43%	0.427	S	S	*	.	S	Bend	trans	-123.8	138.2	167.3	-72	-173.3	177.3	-173.7	0	109.9	C400	K398-C400 PolarHBondContact O-N 3.11Å
399	V	67.8	Low	75.3	Confident	126 Å²	126	75.5 Å²	75.5	76%	0.764	43%	0.429	S	S	*	.			trans	-59	109	164.9	178.8	0	0	0	0	106.4	T401 S404	V399-T401 HydrophobicContact CG1-CG2 4.05Å; V399-S404 PolarHBondContact O-OG 3.24Å
400	C	78.6	Confident	75.6	Confident	43 Å²	43	76.4 Å²	76.4	29%	0.291	43%	0.432	S	S	.	.			trans	-120.4	99.6	178.5	-159.7	0	0	0	0	107.6	C391 K398 S404	C391-C400 WeakPolarHBondContact CA-SG 3.34Å; C391-C400 HydrophobicContact CB-CB 3.64Å; C391-C400 WeakPolarHBondContact CB-SG 3.33Å; C391-C400 WeakPolarHBondContact SG-CA 3.4Å; C391-C400 WeakPolarHBondContact SG-CB 3.42Å; C391-C400 PolarHBondContact SG-O 2.67Å; C391-C400 CovalentContact SG-SG 2.04Å; C391-C400 PolarHBondContact SG-SG 2.83Å; K398-C400 PolarHBondContact O-N 3.11Å; C400-S404 WeakPolarHBondContact CA-OG 3.39Å
401	T	88.2	Confident	76.6	Confident	57 Å²	57	78.7 Å²	78.7	35%	0.35	44%	0.441	S	S	.	.			trans	-121.9	168.1	175	65.2	0	0	0	0	109.5	V399 D403 S404 S405	V399-T401 HydrophobicContact CG1-CG2 4.05Å; T401-D403 PolarHBondContact O-N 2.75Å; T401-D403 PolarHBondContact OG1-N 3.03Å; T401-S404 PolarHBondContact N-OG 2.96Å; T401-S404 PolarHBondContact O-N 2.97Å; T401-S404 PolarHBondContact O-OG 2.9Å; T401-S404 VanDerWaalsContact O-OG 3.05Å; T401-S404 PolarHBondContact OG1-N 3.43Å; T401-S404 VanDerWaalsContact OG1-N 3.09Å; T401-S405 PolarHBondContact O-N 3.34Å; T401-S405 PolarHBondContact O-OG 3.5Å
402	A	90.5	Very high	77.6	Confident	6 Å²	6	80.1 Å²	80.1	5%	0.05	44%	0.444	C	S	.	.	H	α-helix	trans	-52.4	-43.1	169.5	0	0	0	0	0	111.3	R155 Y156 K159 A406	R155-A402 HydrophobicContact CB-CB 4.16Å; Y156-A402 HydrophobicContact CD1-CB 3.63Å; Y156-A402 HydrophobicContact CD2-CB 4.22Å; Y156-A402 HydrophobicContact CE1-CB 3.58Å; Y156-A402 HydrophobicContact CE2-CB 4.21Å; Y156-A402 HydrophobicContact CG-CB 3.96Å; K159-A402 HydrophobicContact CG-CB 4.36Å; A402-A406 WeakPolarHBondContact O-CB 3.14Å; A402-A406 PolarHBondContact O-N 2.59Å
403	D	92.5	Very high	79.5	Confident	70 Å²	70	78.4 Å²	78.4	37%	0.374	42%	0.423	S	S	.	.	H	α-helix	trans	-61.8	-49.7	176.7	-60.1	-79.1	0	0	0	113.1	K159 T401 S405 A406 N407	K159-D403 WeakPolarHBondContact CE-OD1 3.49Å; K159-D403 IonicContact NZ-OD1 2.71Å; K159-D403 PolarHBondContact NZ-OD1 2.91Å; T401-D403 PolarHBondContact O-N 2.75Å; T401-D403 PolarHBondContact OG1-N 3.03Å; D403-S405 VanDerWaalsContact C-N 3.32Å; D403-S405 PolarHBondContact O-N 3.5Å; D403-A406 PolarHBondContact O-N 3.04Å; D403-N407 VanDerWaalsContact O-CB 3.25Å; D403-N407 WeakPolarHBondContact O-CB 3.16Å; D403-N407 PolarHBondContact O-N 3.36Å; D403-N407 PolarHBondContact O-ND2 3.06Å
404	S	91.4	Very high	81.6	Confident	39 Å²	39	77.7 Å²	77.7	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-40	-177.5	65	0	0	0	0	111.7	V399 C400 T401 E408	V399-S404 PolarHBondContact O-OG 3.24Å; C400-S404 WeakPolarHBondContact CA-OG 3.39Å; T401-S404 PolarHBondContact N-OG 2.96Å; T401-S404 PolarHBondContact O-N 2.97Å; T401-S404 PolarHBondContact O-OG 2.9Å; T401-S404 VanDerWaalsContact O-OG 3.05Å; T401-S404 PolarHBondContact OG1-N 3.43Å; T401-S404 VanDerWaalsContact OG1-N 3.09Å; S404-E408 PolarHBondContact O-N 3.13Å
405	S	91.7	Very high	83.6	Confident	17 Å²	17	73 Å²	73	12%	0.119	40%	0.402	C	S	.	.	H	α-helix	trans	-69.1	-43.6	178.6	-65.5	0	0	0	0	111.8	I388 C391 T401 D403 E408 V409	I388-S405 WeakPolarHBondContact O-CB 3.42Å; I388-S405 PolarHBondContact O-OG 2.99Å; C391-S405 PolarHBondContact SG-OG 2.92Å; T401-S405 PolarHBondContact O-N 3.34Å; T401-S405 PolarHBondContact O-OG 3.5Å; D403-S405 VanDerWaalsContact C-N 3.32Å; D403-S405 PolarHBondContact O-N 3.5Å; S405-E408 PolarHBondContact O-N 3.04Å; S405-V409 PolarHBondContact O-N 3.42Å
406	A	93.7	Very high	85.4	Confident	2 Å²	2	70.5 Å²	70.5	2%	0.017	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-42.4	175	0	0	0	0	0	111.6	K159 Y276 I388 A402 D403 E408 V409 V410	K159-A406 HydrophobicContact CB-CB 4.13Å; K159-A406 HydrophobicContact CD-CB 3.95Å; K159-A406 HydrophobicContact CG-CB 3.93Å; Y276-A406 HydrophobicContact CD2-CB 4.01Å; Y276-A406 HydrophobicContact CE2-CB 4.2Å; I388-A406 HydrophobicContact CD1-CB 4.26Å; A402-A406 WeakPolarHBondContact O-CB 3.14Å; A402-A406 PolarHBondContact O-N 2.59Å; D403-A406 PolarHBondContact O-N 3.04Å; A406-E408 VanDerWaalsContact C-N 3.32Å; A406-E408 PolarHBondContact O-N 3.14Å; A406-V409 WeakPolarHBondContact O-CB 3.35Å; A406-V409 PolarHBondContact O-N 2.87Å; A406-V409 VanDerWaalsContact O-N 3.09Å; A406-V410 WeakPolarHBondContact O-CG2 3.47Å; A406-V410 PolarHBondContact O-N 2.92Å
407	N	93.7	Very high	87.5	Confident	92 Å²	92	66 Å²	66	49%	0.492	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-39.1	176.8	-72.5	-18.8	0	0	0	111.9	D403 V409 V410 E411	D403-N407 VanDerWaalsContact O-CB 3.25Å; D403-N407 WeakPolarHBondContact O-CB 3.16Å; D403-N407 PolarHBondContact O-N 3.36Å; D403-N407 PolarHBondContact O-ND2 3.06Å; N407-V409 VanDerWaalsContact C-N 3.29Å; N407-V409 PolarHBondContact O-N 3.17Å; N407-V410 PolarHBondContact O-N 2.88Å; N407-E411 WeakPolarHBondContact O-CG 3.5Å; N407-E411 PolarHBondContact O-N 2.69Å
408	E	91	Very high	89.3	Confident	102 Å²	102	67.4 Å²	67.4	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-39	173.8	-173.5	-177.9	158.1	0	0	111.9	S404 S405 A406 K412	S404-E408 PolarHBondContact O-N 3.13Å; S405-E408 PolarHBondContact O-N 3.04Å; A406-E408 VanDerWaalsContact C-N 3.32Å; A406-E408 PolarHBondContact O-N 3.14Å; E408-K412 WeakPolarHBondContact O-CG 3.43Å; E408-K412 PolarHBondContact O-N 3.17Å; E408-K412 WeakPolarHBondContact OE1-CE 3.38Å; E408-K412 IonicContact OE1-NZ 3.84Å; E408-K412 PolarHBondContact OE1-NZ 2.78Å
409	V	93	Very high	90.8	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.067	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-45.9	175.5	175.8	0	0	0	0	110.9	Y276 F386 I388 S405 A406 N407 E411 K412 L413	Y276-V409 HydrophobicContact CD1-CB 4.32Å; Y276-V409 HydrophobicContact CD1-CG1 3.53Å; Y276-V409 HydrophobicContact CE1-CG1 4.01Å; Y276-V409 HydrophobicContact CG-CG1 4.15Å; F386-V409 HydrophobicContact CB-CG1 4.13Å; F386-V409 HydrophobicContact CB-CG2 3.89Å; F386-V409 HydrophobicContact CD1-CG1 4.31Å; F386-V409 HydrophobicContact CD2-CG1 3.51Å; F386-V409 HydrophobicContact CE2-CG1 4Å; F386-V409 HydrophobicContact CG-CG1 3.7Å; F386-V409 HydrophobicContact CG-CG2 4.15Å; I388-V409 HydrophobicContact CG2-CG2 3.9Å; S405-V409 PolarHBondContact O-N 3.42Å; A406-V409 WeakPolarHBondContact O-CB 3.35Å; A406-V409 PolarHBondContact O-N 2.87Å; A406-V409 VanDerWaalsContact O-N 3.09Å; N407-V409 VanDerWaalsContact C-N 3.29Å; N407-V409 PolarHBondContact O-N 3.17Å; V409-E411 PolarHBondContact O-N 2.78Å; V409-K412 PolarHBondContact O-N 3.13Å; V409-L413 HydrophobicContact CG1-CD1 3.78Å; V409-L413 HydrophobicContact CG1-CG 4.28Å; V409-L413 WeakPolarHBondContact O-CG 3.21Å; V409-L413 PolarHBondContact O-N 2.85Å
410	V	95	Very high	92.1	Very high	34 Å²	34	57 Å²	57	21%	0.206	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-48.5	178.6	169.3	0	0	0	0	111.6	Y276 A406 N407 K412 L413 K414	Y276-V410 HydrophobicContact CE1-CG2 4.36Å; Y276-V410 HydrophobicContact CE2-CG2 4.22Å; Y276-V410 VanDerWaalsContact OH-CG2 3.24Å; Y276-V410 WeakPolarHBondContact OH-CG2 3.36Å; A406-V410 WeakPolarHBondContact O-CG2 3.47Å; A406-V410 PolarHBondContact O-N 2.92Å; N407-V410 PolarHBondContact O-N 2.88Å; V410-K412 VanDerWaalsContact C-N 3.29Å; V410-K412 PolarHBondContact O-N 3.49Å; V410-L413 PolarHBondContact O-N 2.95Å; V410-K414 HydrophobicContact CG1-CD 4.32Å; V410-K414 WeakPolarHBondContact O-CG 3.36Å; V410-K414 PolarHBondContact O-N 2.92Å
411	E	94.4	Very high	92.9	Very high	110 Å²	110	58.4 Å²	58.4	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-62.4	-37	-179.9	-70.1	-52.7	120.1	0	0	112.1	N407 V409 K414 A415	N407-E411 WeakPolarHBondContact O-CG 3.5Å; N407-E411 PolarHBondContact O-N 2.69Å; V409-E411 PolarHBondContact O-N 2.78Å; E411-K414 IonicContact OE1-NZ 2.82Å; E411-K414 PolarHBondContact OE1-NZ 3.38Å; E411-A415 PolarHBondContact O-N 2.96Å; E411-A415 VanDerWaalsContact O-N 3.17Å
412	K	90.7	Very high	93.3	Very high	62 Å²	62	56.3 Å²	56.3	27%	0.27	31%	0.305	S	S	.	.	H	α-helix	trans	-68	-41.7	174.1	-71.2	175.5	-170.4	166.5	0	112.4	F310 E408 V409 V410 K414 A415 L416	F310-K412 HydrophobicContact CD2-CD 3.67Å; F310-K412 HydrophobicContact CE1-CD 4.42Å; F310-K412 HydrophobicContact CE2-CD 3.35Å; F310-K412 HydrophobicContact CG-CD 4.32Å; F310-K412 HydrophobicContact CZ-CB 4.19Å; F310-K412 HydrophobicContact CZ-CD 3.75Å; E408-K412 WeakPolarHBondContact O-CG 3.43Å; E408-K412 PolarHBondContact O-N 3.17Å; E408-K412 WeakPolarHBondContact OE1-CE 3.38Å; E408-K412 IonicContact OE1-NZ 3.84Å; E408-K412 PolarHBondContact OE1-NZ 2.78Å; V409-K412 PolarHBondContact O-N 3.13Å; V410-K412 VanDerWaalsContact C-N 3.29Å; V410-K412 PolarHBondContact O-N 3.49Å; K412-K414 VanDerWaalsContact C-N 3.34Å; K412-A415 PolarHBondContact O-N 2.73Å; K412-L416 WeakPolarHBondContact O-CD1 3.13Å; K412-L416 VanDerWaalsContact O-CG 3.28Å; K412-L416 WeakPolarHBondContact O-CG 3.32Å; K412-L416 PolarHBondContact O-N 3.1Å; K412-L416 VanDerWaalsContact O-N 3.16Å
413	L	94	Very high	93.6	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-39.3	177.8	-73	170.6	0	0	0	111.4	Y276 W317 F386 V409 V410 A415 L416 Q417 L420	Y276-L413 HydrophobicContact CD1-CD1 4.44Å; Y276-L413 HydrophobicContact CE1-CD1 3.97Å; W317-L413 HydrophobicContact CH2-CD2 3.71Å; W317-L413 HydrophobicContact CZ3-CD2 4.19Å; F386-L413 HydrophobicContact CE2-CD1 4.27Å; F386-L413 HydrophobicContact CE2-CD2 4.1Å; F386-L413 HydrophobicContact CE2-CG 4.48Å; F386-L413 HydrophobicContact CZ-CD2 4.1Å; V409-L413 HydrophobicContact CG1-CD1 3.78Å; V409-L413 HydrophobicContact CG1-CG 4.28Å; V409-L413 WeakPolarHBondContact O-CG 3.21Å; V409-L413 PolarHBondContact O-N 2.85Å; V410-L413 PolarHBondContact O-N 2.95Å; L413-A415 PolarHBondContact O-N 2.95Å; L413-L416 CarbonylContact O-C 3.41Å; L413-L416 WeakPolarHBondContact O-CA 3.43Å; L413-L416 PolarHBondContact O-N 3.37Å; L413-Q417 PolarHBondContact O-N 3.37Å; L413-L420 HydrophobicContact CD2-CD2 4.25Å
414	K	94.5	Very high	93.7	Very high	124 Å²	124	65.9 Å²	65.9	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-58.1	-45.8	172.3	-73	174.8	-176.9	168.4	0	111.9	V410 E411 K412 L416 Q417	V410-K414 HydrophobicContact CG1-CD 4.32Å; V410-K414 WeakPolarHBondContact O-CG 3.36Å; V410-K414 PolarHBondContact O-N 2.92Å; E411-K414 IonicContact OE1-NZ 2.82Å; E411-K414 PolarHBondContact OE1-NZ 3.38Å; K412-K414 VanDerWaalsContact C-N 3.34Å; K414-L416 PolarHBondContact O-N 3.06Å; K414-Q417 WeakPolarHBondContact O-CB 3.24Å; K414-Q417 PolarHBondContact O-N 2.76Å
415	A	92.2	Very high	93.9	Very high	83 Å²	83	64.8 Å²	64.8	69%	0.686	34%	0.339	S	S	*	.	H	α-helix	trans	-65	-18.6	176.9	0	0	0	0	0	113.5	E411 K412 L413	E411-A415 PolarHBondContact O-N 2.96Å; E411-A415 VanDerWaalsContact O-N 3.17Å; K412-A415 PolarHBondContact O-N 2.73Å; L413-A415 PolarHBondContact O-N 2.95Å
416	L	91.2	Very high	94.1	Very high	31 Å²	31	69.4 Å²	69.4	16%	0.162	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	9.4	-178.8	-64.1	168.7	0	0	0	112.9	F310 W317 K412 L413 K414 S418 Q419 L420	F310-L416 HydrophobicContact CE1-CD1 4.13Å; W317-L416 HydrophobicContact CH2-CD1 4.31Å; W317-L416 HydrophobicContact CZ2-CD1 3.4Å; K412-L416 WeakPolarHBondContact O-CD1 3.13Å; K412-L416 VanDerWaalsContact O-CG 3.28Å; K412-L416 WeakPolarHBondContact O-CG 3.32Å; K412-L416 PolarHBondContact O-N 3.1Å; K412-L416 VanDerWaalsContact O-N 3.16Å; L413-L416 CarbonylContact O-C 3.41Å; L413-L416 WeakPolarHBondContact O-CA 3.43Å; L413-L416 PolarHBondContact O-N 3.37Å; K414-L416 PolarHBondContact O-N 3.06Å; L416-S418 PolarHBondContact O-N 2.02Å; L416-Q419 WeakPolarHBondContact O-CA 3.5Å; L416-Q419 WeakPolarHBondContact O-CB 3.41Å; L416-Q419 PolarHBondContact O-N 2.69Å; L416-L420 PolarHBondContact O-N 3.23Å
417	Q	93	Very high	94.1	Very high	106 Å²	106	72.8 Å²	72.8	50%	0.495	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-51.4	-38.1	-173.3	-173.2	65.2	26.1	0	0	113.4	L413 K414 Q419 L420	L413-Q417 PolarHBondContact O-N 3.37Å; K414-Q417 WeakPolarHBondContact O-CB 3.24Å; K414-Q417 PolarHBondContact O-N 2.76Å; Q417-Q419 PolarHBondContact O-N 3.48Å; Q417-L420 PolarHBondContact O-N 3.25Å
418	S	94.4	Very high	94.1	Very high	115 Å²	115	71.4 Å²	71.4	80%	0.804	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-71.8	-11	179.8	69	0	0	0	0	114.6	L416	L416-S418 PolarHBondContact O-N 2.02Å
419	Q	94.2	Very high	94.1	Very high	73 Å²	73	69.1 Å²	69.1	34%	0.341	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-106.1	-8.7	178.7	-64.9	-177.1	66.7	0	0	112.5	W317 L416 Q417	W317-Q419 HydrophobicContact CB-CB 4.04Å; W317-Q419 HydrophobicContact CG-CB 4.17Å; L416-Q419 WeakPolarHBondContact O-CA 3.5Å; L416-Q419 WeakPolarHBondContact O-CB 3.41Å; L416-Q419 PolarHBondContact O-N 2.69Å; Q417-Q419 PolarHBondContact O-N 3.48Å
420	L	95.2	Very high	94.1	Very high	12 Å²	12	71 Å²	71	6%	0.063	37%	0.373	C	S	.	.	S	Bend	trans	-71.7	155	170.9	-56.9	-176.8	0	0	0	109.8	P279 D280 W317 L413 L416 Q417	P279-L420 HydrophobicContact CG-CD1 4.26Å; D280-L420 HydrophobicContact CB-CB 4.28Å; W317-L420 HydrophobicContact CE3-CD2 3.77Å; W317-L420 HydrophobicContact CH2-CD2 4.33Å; W317-L420 HydrophobicContact CZ3-CD2 3.59Å; L413-L420 HydrophobicContact CD2-CD2 4.25Å; L416-L420 PolarHBondContact O-N 3.23Å; Q417-L420 PolarHBondContact O-N 3.25Å
421	F	96.8	Very high	93.9	Very high	72 Å²	72	72.2 Å²	72.2	32%	0.316	38%	0.378	S	S	.	.	S	Bend	trans	56	54.6	-177.9	-51.5	-88.9	0	0	0	114.7	P168 P279 D280 Y283 K423	P168-F421 HydrophobicContact CG-CE1 4.04Å; P168-F421 HydrophobicContact CG-CZ 4.3Å; P279-F421 HydrophobicContact CB-CE2 4.28Å; P279-F421 HydrophobicContact CB-CZ 4.11Å; P279-F421 WeakPolarHBondContact O-CZ 3.29Å; D280-F421 HydrophobicContact CB-CD1 3.63Å; D280-F421 HydrophobicContact CB-CD2 3.91Å; D280-F421 HydrophobicContact CB-CE1 3.63Å; D280-F421 HydrophobicContact CB-CE2 3.89Å; D280-F421 HydrophobicContact CB-CG 3.77Å; D280-F421 HydrophobicContact CB-CZ 3.76Å; D280-F421 PolarHBondContact OD2-N 3.18Å; D280-F421 VanDerWaalsContact OD2-N 3.1Å; Y283-F421 HydrophobicContact CD1-CB 4.27Å; Y283-F421 AromaticContact CD1-CD1 3.92Å; Y283-F421 HydrophobicContact CD1-CD1 3.92Å; Y283-F421 HydrophobicContact CD2-CD1 4.09Å; Y283-F421 HydrophobicContact CE1-CB 4.14Å; Y283-F421 AromaticContact CG-CD1 3.7Å; Y283-F421 HydrophobicContact CG-CD1 3.7Å; Y283-F421 HydrophobicContact CG-CE1 4.36Å; F421-K423 PolarHBondContact O-N 3.37Å
422	P	96.6	Very high	93.8	Very high	14 Å²	14	74 Å²	74	9%	0.091	39%	0.391	C	S	.	.			trans	-56	135.6	175.1	-22.3	33.2	0	0	0	112.3	Y283 D318 T424 F425	Y283-P422 VanDerWaalsContact CE1-O 3.22Å; Y283-P422 WeakPolarHBondContact CE1-O 3.4Å; Y283-P422 PolarHBondContact OH-O 2.64Å; D318-P422 HydrophobicContact CB-CB 3.76Å; D318-P422 HydrophobicContact CB-CG 4.06Å; P422-T424 VanDerWaalsContact C-N 3.28Å; P422-T424 PolarHBondContact O-N 2.9Å; P422-F425 HydrophobicContact CB-CE1 4.41Å; P422-F425 HydrophobicContact CB-CE2 4.3Å; P422-F425 HydrophobicContact CB-CZ 4.14Å; P422-F425 HydrophobicContact CG-CE1 4.02Å; P422-F425 HydrophobicContact CG-CE2 4.48Å; P422-F425 HydrophobicContact CG-CZ 3.85Å
423	K	95.5	Very high	93.8	Very high	194 Å²	194	73.1 Å²	73.1	84%	0.843	40%	0.396	S	S	*	.	S	Bend	trans	-67.8	-30.5	174.9	-66.4	-174.9	179.2	-178.6	0	112.8	F421	F421-K423 PolarHBondContact O-N 3.37Å
424	T	95	Very high	93.6	Very high	82 Å²	82	74.5 Å²	74.5	50%	0.503	40%	0.404	S	S	.	.	S	Bend	trans	-144.3	142.2	-177.8	58.4	0	0	0	0	109.1	P422	P422-T424 VanDerWaalsContact C-N 3.28Å; P422-T424 PolarHBondContact O-N 2.9Å
425	F	96.5	Very high	93.3	Very high	16 Å²	16	80 Å²	80	7%	0.07	42%	0.421	C	S	.	.			trans	-101.4	144.7	171.6	-74	-89.4	0	0	0	110.8	S287 I288 W317 D318 Y320 L380 P422	S287-F425 WeakPolarHBondContact OG-CD2 3.43Å; I288-F425 HydrophobicContact CD1-CB 3.94Å; I288-F425 HydrophobicContact CD1-CD1 4.18Å; I288-F425 HydrophobicContact CD1-CD2 4.18Å; I288-F425 HydrophobicContact CD1-CG 3.84Å; W317-F425 WeakPolarHBondContact O-CE1 3.19Å; D318-F425 CarbonylContact O-C 3.59Å; D318-F425 VanDerWaalsContact O-CA 3.26Å; D318-F425 WeakPolarHBondContact O-CA 3.37Å; Y320-F425 HydrophobicContact CD1-CB 3.88Å; Y320-F425 HydrophobicContact CE1-CB 4.04Å; L380-F425 HydrophobicContact CD2-CD1 3.89Å; L380-F425 HydrophobicContact CD2-CE1 3.75Å; P422-F425 HydrophobicContact CB-CE1 4.41Å; P422-F425 HydrophobicContact CB-CE2 4.3Å; P422-F425 HydrophobicContact CB-CZ 4.14Å; P422-F425 HydrophobicContact CG-CE1 4.02Å; P422-F425 HydrophobicContact CG-CE2 4.48Å; P422-F425 HydrophobicContact CG-CZ 3.85Å
426	K	95.2	Very high	93	Very high	114 Å²	114	86.8 Å²	86.8	50%	0.496	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.6	-177.7	-64.1	169.7	-172.1	155.6	0	111	D318 E319 Y320 L428	D318-K426 PolarHBondContact O-N 3.5Å; D318-K426 IonicContact OD2-NZ 3.13Å; E319-K426 CarbonylContact C-O 3.53Å; E319-K426 VanDerWaalsContact CA-O 3.27Å; E319-K426 WeakPolarHBondContact CA-O 2.76Å; Y320-K426 VanDerWaalsContact CD1-O 3.26Å; Y320-K426 WeakPolarHBondContact CD1-O 3.3Å; Y320-K426 PolarHBondContact N-O 2.89Å; K426-L428 PolarHBondContact O-N 2.82Å
427	V	94.6	Very high	92.7	Very high	74 Å²	74	88 Å²	88	45%	0.448	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.1	172.7	62.5	0	0	0	0	110	Y320 P430	Y320-V427 HydrophobicContact CE1-CB 4.48Å; Y320-V427 HydrophobicContact CE2-CB 3.85Å; Y320-V427 HydrophobicContact CE2-CG2 4.05Å; V427-P430 HydrophobicContact CG2-CB 4.18Å
428	L	92.5	Very high	92.3	Very high	63 Å²	63	85.6 Å²	85.6	33%	0.33	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-40	169.1	170.6	62.6	0	0	0	110.9	E319 Y320 L321 K426	E319-L428 HydrophobicContact CB-CB 4.05Å; E319-L428 HydrophobicContact CG-CB 4.38Å; Y320-L428 WeakPolarHBondContact O-CB 3.02Å; Y320-L428 PolarHBondContact O-N 2.91Å; L321-L428 HydrophobicContact CD1-CD2 4.21Å; L321-L428 HydrophobicContact CD2-CD2 4.21Å; L321-L428 HydrophobicContact CG-CB 4.41Å; L321-L428 HydrophobicContact CG-CD2 4.15Å; L321-L428 HydrophobicContact CG-CG 4.48Å; K426-L428 PolarHBondContact O-N 2.82Å
429	L	91.7	Very high	92	Very high	54 Å²	54	89.3 Å²	89.3	28%	0.283	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	109.6	-178.7	-173.9	67.8	0	0	0	110.6	L321 I322 L323 A433 V434	L321-L429 HydrophobicContact CB-CB 4.2Å; L321-L429 HydrophobicContact CD2-CB 3.92Å; L321-L429 HydrophobicContact CD2-CD2 4.12Å; L321-L429 HydrophobicContact CG-CB 4.13Å; I322-L429 PolarHBondContact N-O 3.47Å; L323-L429 HydrophobicContact CD2-CD2 3.83Å; L429-A433 HydrophobicContact CD1-CB 3.61Å; L429-V434 HydrophobicContact CD2-CG2 4.18Å; L429-V434 HydrophobicContact CG-CG2 4.49Å
430	P	92.5	Very high	91.7	Very high	51 Å²	51	87.9 Å²	87.9	33%	0.331	43%	0.426	S	S	.	.			trans	-75.5	156.6	172.2	32.1	-35	0	0	0	111.2	V427 N432 A433	V427-P430 HydrophobicContact CG2-CB 4.18Å; P430-N432 VanDerWaalsContact C-N 3.3Å; P430-N432 WeakPolarHBondContact CB-OD1 3.3Å; P430-N432 VanDerWaalsContact CG-OD1 3.28Å; P430-N432 WeakPolarHBondContact CG-OD1 3.49Å; P430-N432 PolarHBondContact O-N 2.95Å; P430-A433 HydrophobicContact CG-CB 4.02Å; P430-A433 WeakPolarHBondContact O-CB 3.46Å; P430-A433 PolarHBondContact O-N 2.8Å
431	L	91.9	Very high	91.3	Very high	59 Å²	59	89.8 Å²	89.8	31%	0.309	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-57.1	-39.9	-174.9	-175.1	60.2	0	0	0	113.3	I322 P324 T376 A433 V434	I322-L431 HydrophobicContact CB-CB 4.27Å; I322-L431 HydrophobicContact CG2-CB 3.77Å; I322-L431 HydrophobicContact CG2-CD1 4.29Å; I322-L431 HydrophobicContact CG2-CG 4.42Å; P324-L431 HydrophobicContact CG-CD1 4.11Å; T376-L431 HydrophobicContact CG2-CD1 4.05Å; T376-L431 HydrophobicContact CG2-CD2 3.98Å; L431-A433 PolarHBondContact O-N 3.4Å; L431-V434 WeakPolarHBondContact O-CB 3.27Å; L431-V434 WeakPolarHBondContact O-CG2 3.48Å; L431-V434 PolarHBondContact O-N 3.01Å; L431-V434 VanDerWaalsContact O-N 3.1Å
432	N	90.5	Very high	90.9	Very high	146 Å²	146	94.2 Å²	94.2	78%	0.781	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.6	-179.2	64	-15.6	0	0	0	113.8	P430 V434	P430-N432 VanDerWaalsContact C-N 3.3Å; P430-N432 WeakPolarHBondContact CB-OD1 3.3Å; P430-N432 VanDerWaalsContact CG-OD1 3.28Å; P430-N432 WeakPolarHBondContact CG-OD1 3.49Å; P430-N432 PolarHBondContact O-N 2.95Å; N432-V434 VanDerWaalsContact C-N 3.35Å
433	A	91.9	Very high	90.7	Very high	45 Å²	45	95.1 Å²	95.1	37%	0.372	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-86.5	-6.1	175.8	0	0	0	0	0	112.9	L429 P430 L431 R435	L429-A433 HydrophobicContact CD1-CB 3.61Å; P430-A433 HydrophobicContact CG-CB 4.02Å; P430-A433 WeakPolarHBondContact O-CB 3.46Å; P430-A433 PolarHBondContact O-N 2.8Å; L431-A433 PolarHBondContact O-N 3.4Å; A433-R435 PolarHBondContact O-N 3.26Å
434	V	90	Very high	90.4	Very high	36 Å²	36	88.9 Å²	88.9	22%	0.218	44%	0.437	C	S	.	.			trans	-74.5	109.8	179.2	-178.1	0	0	0	0	110.2	L323 L429 L431 N432 V437	L323-V434 HydrophobicContact CD2-CG2 3.62Å; L429-V434 HydrophobicContact CD2-CG2 4.18Å; L429-V434 HydrophobicContact CG-CG2 4.49Å; L431-V434 WeakPolarHBondContact O-CB 3.27Å; L431-V434 WeakPolarHBondContact O-CG2 3.48Å; L431-V434 PolarHBondContact O-N 3.01Å; L431-V434 VanDerWaalsContact O-N 3.1Å; N432-V434 VanDerWaalsContact C-N 3.35Å; V434-V437 HydrophobicContact CG1-CG2 4.23Å
435	R	87.7	Confident	90.1	Very high	239 Å²	239	85 Å²	85	90%	0.902	41%	0.413	S	S	*	.			trans	-92	-23.1	-177.6	-62.3	-174.1	-179.4	-167.5	-1.1	114.5	A433	A433-R435 PolarHBondContact O-N 3.26Å
436	R	85.7	Confident	89.6	Confident	227 Å²	227	84.4 Å²	84.4	86%	0.857	41%	0.413	S	S	*	.			trans	-143	129.6	-174.6	-66.6	-175.7	-178.2	172.3	0.1	109.9
437	V	84.4	Confident	89.3	Confident	55 Å²	55	80 Å²	80	33%	0.333	39%	0.393	S	S	.	.			trans	-113.3	133.1	170.5	-173.4	0	0	0	0	106.7	P324 V434	P324-V437 HydrophobicContact CB-CG1 4.14Å; P324-V437 HydrophobicContact CB-CG2 4.15Å; P324-V437 HydrophobicContact CG-CG2 3.69Å; V434-V437 HydrophobicContact CG1-CG2 4.23Å
438	P	86.2	Confident	88.9	Confident	57 Å²	57	77.3 Å²	77.3	37%	0.37	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-56.1	147.3	174.6	-18.3	28.4	0	0	0	110.9	F326 Y329	F326-P438 HydrophobicContact CD2-CB 4.22Å; F326-P438 HydrophobicContact CD2-CG 4.39Å; F326-P438 HydrophobicContact CE1-CB 4.16Å; F326-P438 HydrophobicContact CE1-CG 4.48Å; F326-P438 HydrophobicContact CE2-CB 3.7Å; F326-P438 HydrophobicContact CE2-CG 4.34Å; F326-P438 WeakPolarHBondContact CE2-O 3.35Å; F326-P438 HydrophobicContact CG-CG 4.48Å; F326-P438 HydrophobicContact CZ-CB 3.67Å; F326-P438 HydrophobicContact CZ-CG 4.39Å; Y329-P438 HydrophobicContact CE2-CG 3.74Å
439	K	88.1	Confident	88.7	Confident	193 Å²	193	74.7 Å²	74.7	84%	0.839	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-76.4	142.4	171.9	-68	-175.4	179.1	-178.9	0	108.6
440	Q	87.7	Confident	88.6	Confident	42 Å²	42	74.5 Å²	74.5	20%	0.196	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-59.6	130.4	170.4	-173.9	176.9	-31.4	0	0	109.3	Y354 L364 N368	Y354-Q440 PolarHBondContact OH-NE2 3.4Å; L364-Q440 HydrophobicContact CD2-CB 4.23Å; L364-Q440 HydrophobicContact CD2-CG 3.87Å; L364-Q440 HydrophobicContact CG-CG 4.15Å; N368-Q440 PolarHBondContact ND2-OE1 3.1Å
441	P	85.9	Confident	88.5	Confident	53 Å²	53	73.9 Å²	73.9	34%	0.344	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.8	166.6	170.8	-22.4	34.4	0	0	0	112.1	W361	W361-P441 HydrophobicContact CE3-CB 4.46Å; W361-P441 HydrophobicContact CH2-CB 3.74Å; W361-P441 HydrophobicContact CH2-CG 4.05Å; W361-P441 HydrophobicContact CZ2-CB 4.38Å; W361-P441 HydrophobicContact CZ2-CG 4.19Å; W361-P441 HydrophobicContact CZ3-CB 3.81Å; W361-P441 HydrophobicContact CZ3-CG 4.42Å
442	K	89.8	Confident	88.3	Confident	164 Å²	164	71.2 Å²	71.2	71%	0.713	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-70.8	142.8	165.3	-68	-175.4	178.4	-177.8	0	108.4	W361	W361-K442 WeakPolarHBondContact CZ3-O 3.07Å
443	E	90.4	Very high	88.3	Confident	34 Å²	34	65.7 Å²	65.7	16%	0.159	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-56.7	152.2	175.1	61.3	-86.6	-132.2	0	0	112.2	K244 Y245 Y354 D355 D356	K244-E443 HydrophobicContact CD-CG 3.69Å; K244-E443 VanDerWaalsContact CD-OE1 3.32Å; K244-E443 WeakPolarHBondContact CD-OE1 3.42Å; K244-E443 WeakPolarHBondContact CE-OE1 3.45Å; K244-E443 IonicContact NZ-OE1 4Å; K244-E443 PolarHBondContact NZ-OE1 3.49Å; K244-E443 IonicContact NZ-OE2 3.13Å; K244-E443 PolarHBondContact NZ-OE2 2.96Å; Y245-E443 VanDerWaalsContact CE2-O 3.29Å; Y245-E443 WeakPolarHBondContact CE2-O 3.46Å; Y245-E443 PolarHBondContact OH-O 3.48Å; Y354-E443 HydrophobicContact CE1-CB 3.99Å; Y354-E443 HydrophobicContact CE2-CB 4.16Å; D355-E443 WeakPolarHBondContact O-CB 3.3Å; D355-E443 WeakPolarHBondContact O-CG 3.29Å; D356-E443 HydrophobicContact CB-CB 4.09Å; D356-E443 WeakPolarHBondContact OD2-CA 3.03Å
444	N	89.6	Confident	88.2	Confident	62 Å²	62	68.4 Å²	68.4	33%	0.332	32%	0.319	S	S	.	.			trans	-90.9	-8.7	-178.9	-64	-56.1	0	0	0	114.2	Y245 D356 Y357 N358 W361	Y245-N444 WeakPolarHBondContact CD2-O 3.32Å; D356-N444 PolarHBondContact OD2-N 3.45Å; Y357-N444 HydrophobicContact CD1-CB 4.07Å; Y357-N444 HydrophobicContact CE1-CB 3.52Å; N358-N444 PolarHBondContact ND2-ND2 3.35Å; W361-N444 VanDerWaalsContact CH2-ND2 3.33Å; W361-N444 WeakPolarHBondContact CH2-ND2 3.48Å; W361-N444 WeakPolarHBondContact CZ3-ND2 3.08Å
445	G	89.2	Confident	88.1	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	78.3	-155.1	-170.8	0	0	0	0	0	112.4	D355 D356 Y357 W447	D355-G445 WeakPolarHBondContact O-CA 3.37Å; D355-G445 PolarHBondContact O-N 3.17Å; D355-G445 WeakPolarHBondContact OD1-CA 3.36Å; D356-G445 CarbonylContact C-O 3.58Å; D356-G445 WeakPolarHBondContact CA-O 3.39Å; Y357-G445 WeakPolarHBondContact CD1-O 3.42Å; Y357-G445 PolarHBondContact N-O 3.09Å; G445-W447 PolarHBondContact O-N 3Å
446	G	85.2	Confident	88.1	Confident	5 Å²	5	56.5 Å²	56.5	5%	0.052	27%	0.273	C	S	.	.			trans	75.2	3	179.4	0	0	0	0	0	115.6	D243 N252 D355	D243-G446 PolarHBondContact OD2-N 2.91Å; N252-G446 PolarHBondContact ND2-O 3.32Å; D355-G446 PolarHBondContact OD1-N 2.76Å
447	W	88.9	Confident	88.3	Confident	22 Å²	22	47.5 Å²	47.5	8%	0.083	24%	0.241	C	C	.	.			trans	-128.5	30	178.3	-169.3	-91.2	0	0	0	110.5	N252 V254 C352 Y354 D355 D356 G445 D452 H453 C456	N252-W447 HydrophobicContact CB-CE3 3.69Å; N252-W447 HydrophobicContact CB-CH2 3.98Å; N252-W447 HydrophobicContact CB-CZ3 3.25Å; V254-W447 HydrophobicContact CG2-CH2 4.12Å; C352-W447 PolarHBondContact O-NE1 3.35Å; Y354-W447 VanDerWaalsContact O-CD1 3.26Å; D355-W447 WeakPolarHBondContact OD1-CA 3.3Å; D355-W447 PolarHBondContact OD1-N 2.95Å; D356-W447 WeakPolarHBondContact O-CB 3.37Å; G445-W447 PolarHBondContact O-N 3Å; W447-D452 HydrophobicContact CZ2-CB 4.43Å; W447-H453 AromaticContact CD1-CD2 3.61Å; W447-H453 AromaticContact CD1-NE2 3.59Å; W447-H453 AromaticContact NE1-CD2 3.45Å; W447-H453 PolarHBondContact NE1-CD2 3.2Å; W447-H453 AromaticContact NE1-NE2 3.92Å; W447-H453 PolarHBondContact O-CD2 3.08Å; W447-H453 PolarHBondContact O-NE2 2.94Å; W447-C456 HydrophobicContact CZ2-CB 4.06Å
448	G	87	Confident	88.3	Confident	16 Å²	16	49.3 Å²	49.3	17%	0.165	25%	0.249	C	C	.	.			trans	-82.9	-10.4	-175	0	0	0	0	0	115.5	D355 P450	D355-G448 PolarHBondContact OD1-N 3.46Å; G448-P450 WeakPolarHBondContact O-CD 3.39Å
449	D	87.8	Confident	87.9	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.048	24%	0.237	C	C	.	.			trans	-75.3	121.6	-173.2	-166.2	-48	0	0	0	111.8	R249 R451 D452 H453	R249-D449 HydrophobicContact CB-CB 4.18Å; R249-D449 VanDerWaalsContact CD-OD2 3.24Å; R249-D449 WeakPolarHBondContact CD-OD2 3.48Å; R249-D449 HydrophobicContact CG-CB 4.17Å; D449-R451 PolarHBondContact O-N 3.41Å; D449-R451 VanDerWaalsContact O-N 3.11Å; D449-R451 VanDerWaalsContact OD1-CB 3.24Å; D449-R451 WeakPolarHBondContact OD1-CB 3.4Å; D449-R451 WeakPolarHBondContact OD1-CG 3.39Å; D449-R451 PolarHBondContact OD1-N 3.14Å; D449-R451 IonicContact OD1-NE 3.17Å; D449-R451 PolarHBondContact OD1-NE 3.35Å; D449-R451 VanDerWaalsContact OD1-NE 3.13Å; D449-R451 IonicContact OD2-CZ 2.62Å; D449-R451 IonicContact OD2-NE 3.44Å; D449-R451 PolarHBondContact OD2-NE 3.48Å; D449-R451 IonicContact OD2-NH2 3.74Å; D449-R451 PolarHBondContact OD2-NH2 3.44Å; D449-D452 WeakPolarHBondContact CB-OD2 3.45Å; D449-D452 PolarHBondContact O-N 3.41Å; D449-H453 PolarHBondContact O-CD2 3.49Å; D449-H453 PolarHBondContact O-N 3.42Å
450	P	90.2	Very high	87.4	Confident	49 Å²	49	39.3 Å²	39.3	32%	0.318	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-24.2	179.2	-25.1	35	0	0	0	114.8	R241 G448 Q454	R241-P450 HydrophobicContact CB-CG 4.39Å; R241-P450 HydrophobicContact CG-CG 4.13Å; G448-P450 WeakPolarHBondContact O-CD 3.39Å; P450-Q454 WeakPolarHBondContact O-CB 3.43Å; P450-Q454 PolarHBondContact O-N 3.22Å
451	R	89.4	Confident	86.3	Confident	39 Å²	39	43.6 Å²	43.6	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-68.9	-41.1	175.9	-59.3	174.1	-69.6	-176.8	-1.1	111.1	F214 D221 Q237 I238 D449 H453 Q454 L455	F214-R451 HydrophobicContact CD2-CB 3.8Å; F214-R451 HydrophobicContact CD2-CG 4.5Å; F214-R451 HydrophobicContact CE1-CB 4.15Å; F214-R451 HydrophobicContact CE2-CB 3.34Å; F214-R451 HydrophobicContact CE2-CG 4.45Å; F214-R451 HydrophobicContact CG-CB 4.4Å; F214-R451 VanDerWaalsContact CZ-C 3.48Å; F214-R451 HydrophobicContact CZ-CB 3.55Å; F214-R451 WeakPolarHBondContact CZ-O 3.17Å; D221-R451 IonicContact OD1-CZ 3.54Å; D221-R451 VanDerWaalsContact OD1-CZ 3.32Å; D221-R451 IonicContact OD1-NH1 3.9Å; D221-R451 PolarHBondContact OD1-NH1 3.03Å; D221-R451 IonicContact OD1-NH2 3.4Å; D221-R451 PolarHBondContact OD1-NH2 3.1Å; Q237-R451 VanDerWaalsContact CD-NH1 3.31Å; I238-R451 VanDerWaalsContact CD1-CD 3.44Å; I238-R451 HydrophobicContact CD1-CG 3.78Å; D449-R451 PolarHBondContact O-N 3.41Å; D449-R451 VanDerWaalsContact O-N 3.11Å; D449-R451 VanDerWaalsContact OD1-CB 3.24Å; D449-R451 WeakPolarHBondContact OD1-CB 3.4Å; D449-R451 WeakPolarHBondContact OD1-CG 3.39Å; D449-R451 PolarHBondContact OD1-N 3.14Å; D449-R451 IonicContact OD1-NE 3.17Å; D449-R451 PolarHBondContact OD1-NE 3.35Å; D449-R451 VanDerWaalsContact OD1-NE 3.13Å; D449-R451 IonicContact OD2-CZ 2.62Å; D449-R451 IonicContact OD2-NE 3.44Å; D449-R451 PolarHBondContact OD2-NE 3.48Å; D449-R451 IonicContact OD2-NH2 3.74Å; D449-R451 PolarHBondContact OD2-NH2 3.44Å; R451-H453 VanDerWaalsContact C-N 3.34Å; R451-Q454 PolarHBondContact O-N 3.34Å; R451-L455 WeakPolarHBondContact O-CB 3.33Å; R451-L455 PolarHBondContact O-N 3.03Å
452	D	88.5	Confident	84.7	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.011	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-38.7	175.8	-67.2	-43.3	0	0	0	110.4	F214 R249 W447 D449 Q454 L455 C456	F214-D452 VanDerWaalsContact CE2-OD1 3.28Å; F214-D452 WeakPolarHBondContact CE2-OD1 3.37Å; R249-D452 VanDerWaalsContact CD-OD2 3.31Å; R249-D452 WeakPolarHBondContact CD-OD2 3.46Å; R249-D452 WeakPolarHBondContact CG-OD2 3.4Å; R249-D452 IonicContact CZ-OD1 2.64Å; R249-D452 IonicContact CZ-OD2 3.47Å; R249-D452 VanDerWaalsContact NE-CG 3.34Å; R249-D452 IonicContact NE-OD1 3.17Å; R249-D452 PolarHBondContact NE-OD1 2.99Å; R249-D452 VanDerWaalsContact NE-OD1 3.11Å; R249-D452 IonicContact NE-OD2 2.78Å; R249-D452 PolarHBondContact NE-OD2 2.98Å; R249-D452 IonicContact NH2-OD1 2.85Å; R249-D452 PolarHBondContact NH2-OD1 2.96Å; R249-D452 IonicContact NH2-OD2 3.78Å; W447-D452 HydrophobicContact CZ2-CB 4.43Å; D449-D452 WeakPolarHBondContact CB-OD2 3.45Å; D449-D452 PolarHBondContact O-N 3.41Å; D452-Q454 PolarHBondContact O-N 3.15Å; D452-L455 PolarHBondContact O-N 3.38Å; D452-C456 WeakPolarHBondContact O-CB 3.46Å; D452-C456 PolarHBondContact O-N 3.1Å
453	H	91.2	Very high	82.3	Confident	30 Å²	30	45 Å²	45	14%	0.139	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-48	173	-62	178.5	0	0	0	111.4	C352 W447 D449 R451 C456 L457	C352-H453 PolarHBondContact O-CD2 2.89Å; W447-H453 AromaticContact CD1-CD2 3.61Å; W447-H453 AromaticContact CD1-NE2 3.59Å; W447-H453 AromaticContact NE1-CD2 3.45Å; W447-H453 PolarHBondContact NE1-CD2 3.2Å; W447-H453 AromaticContact NE1-NE2 3.92Å; W447-H453 PolarHBondContact O-CD2 3.08Å; W447-H453 PolarHBondContact O-NE2 2.94Å; D449-H453 PolarHBondContact O-CD2 3.49Å; D449-H453 PolarHBondContact O-N 3.42Å; R451-H453 VanDerWaalsContact C-N 3.34Å; H453-C456 WeakPolarHBondContact O-CB 3.4Å; H453-C456 PolarHBondContact O-N 2.94Å; H453-L457 VanDerWaalsContact O-CG 3.3Å; H453-L457 WeakPolarHBondContact O-CG 3.39Å; H453-L457 PolarHBondContact O-N 2.98Å
454	Q	90	Very high	79.6	Confident	102 Å²	102	51.1 Å²	51.1	48%	0.477	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-40	-179.8	-170	61.7	49.9	0	0	111.5	P450 R451 D452 C456 L457 N458	P450-Q454 WeakPolarHBondContact O-CB 3.43Å; P450-Q454 PolarHBondContact O-N 3.22Å; R451-Q454 PolarHBondContact O-N 3.34Å; D452-Q454 PolarHBondContact O-N 3.15Å; Q454-C456 VanDerWaalsContact C-N 3.34Å; Q454-L457 PolarHBondContact O-N 3.22Å; Q454-N458 PolarHBondContact NE2-OD1 3.37Å; Q454-N458 WeakPolarHBondContact O-CB 3.48Å; Q454-N458 PolarHBondContact O-N 3.04Å; Q454-N458 PolarHBondContact O-ND2 3.39Å; Q454-N458 PolarHBondContact O-OD1 3.25Å
455	L	87.2	Confident	79.1	Confident	19 Å²	19	50.6 Å²	50.6	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-42.8	174.7	-176.4	60.2	0	0	0	111.3	Y203 N205 F214 P215 V254 R451 D452 N458 N459	Y203-L455 VanDerWaalsContact OH-CD2 3.32Å; Y203-L455 WeakPolarHBondContact OH-CD2 3.33Å; N205-L455 HydrophobicContact CB-CD1 4.34Å; N205-L455 HydrophobicContact CB-CD2 4.37Å; F214-L455 HydrophobicContact CE1-CB 4.29Å; F214-L455 HydrophobicContact CE1-CD2 3.97Å; F214-L455 HydrophobicContact CZ-CB 4.04Å; F214-L455 HydrophobicContact CZ-CD2 3.82Å; P215-L455 HydrophobicContact CB-CD2 3.94Å; P215-L455 HydrophobicContact CG-CD2 4.42Å; V254-L455 HydrophobicContact CG2-CG 4.41Å; R451-L455 WeakPolarHBondContact O-CB 3.33Å; R451-L455 PolarHBondContact O-N 3.03Å; D452-L455 PolarHBondContact O-N 3.38Å; L455-N458 PolarHBondContact O-N 3.33Å; L455-N459 PolarHBondContact O-N 3.01Å; L455-N459 PolarHBondContact O-ND2 3.06Å
456	C	88.5	Confident	78.5	Confident	7 Å²	7	53.2 Å²	53.2	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-48.5	173.7	-179.2	0	0	0	0	112.6	V254 C352 W447 D452 H453 Q454 N458 N459 T460	V254-C456 HydrophobicContact CG1-CB 4.4Å; V254-C456 HydrophobicContact CG2-CB 3.96Å; C352-C456 WeakPolarHBondContact CA-SG 3.31Å; C352-C456 HydrophobicContact CB-CB 3.58Å; C352-C456 WeakPolarHBondContact CB-SG 3.34Å; C352-C456 WeakPolarHBondContact SG-CB 3.37Å; C352-C456 CovalentContact SG-SG 2.04Å; C352-C456 PolarHBondContact SG-SG 3.2Å; W447-C456 HydrophobicContact CZ2-CB 4.06Å; D452-C456 WeakPolarHBondContact O-CB 3.46Å; D452-C456 PolarHBondContact O-N 3.1Å; H453-C456 WeakPolarHBondContact O-CB 3.4Å; H453-C456 PolarHBondContact O-N 2.94Å; Q454-C456 VanDerWaalsContact C-N 3.34Å; C456-N458 PolarHBondContact O-N 3.48Å; C456-N459 PolarHBondContact O-N 3.17Å; C456-T460 PolarHBondContact O-N 3.41Å; C456-T460 PolarHBondContact O-OG1 2.83Å
457	L	89.1	Confident	78.2	Confident	37 Å²	37	55.9 Å²	55.9	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-41.1	178.8	-72.3	168.9	0	0	0	112.4	E349 C352 H453 Q454 N459 T460	E349-L457 HydrophobicContact CB-CD2 4.46Å; C352-L457 HydrophobicContact CB-CD2 4.09Å; C352-L457 HydrophobicContact CB-CG 3.99Å; H453-L457 VanDerWaalsContact O-CG 3.3Å; H453-L457 WeakPolarHBondContact O-CG 3.39Å; H453-L457 PolarHBondContact O-N 2.98Å; Q454-L457 PolarHBondContact O-N 3.22Å; L457-N459 PolarHBondContact O-N 3.2Å; L457-T460 VanDerWaalsContact O-CB 3.3Å; L457-T460 WeakPolarHBondContact O-CB 3.44Å; L457-T460 PolarHBondContact O-N 3.46Å; L457-T460 VanDerWaalsContact O-N 3.15Å; L457-T460 PolarHBondContact O-OG1 2.92Å
458	N	84.3	Confident	77.5	Confident	94 Å²	94	57.9 Å²	57.9	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-30.4	179.2	-72.3	-4.9	0	0	0	112.6	Q454 L455 C456	Q454-N458 PolarHBondContact NE2-OD1 3.37Å; Q454-N458 WeakPolarHBondContact O-CB 3.48Å; Q454-N458 PolarHBondContact O-N 3.04Å; Q454-N458 PolarHBondContact O-ND2 3.39Å; Q454-N458 PolarHBondContact O-OD1 3.25Å; L455-N458 PolarHBondContact O-N 3.33Å; C456-N458 PolarHBondContact O-N 3.48Å
459	N	78.9	Confident	76.9	Confident	21 Å²	21	60.5 Å²	60.5	11%	0.112	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2	178.7	-73.8	-74.3	0	0	0	113.6	V254 F255 L455 C456 L457	V254-N459 HydrophobicContact CG1-CB 3.47Å; V254-N459 VanDerWaalsContact CG1-CB 3.47Å; F255-N459 WeakPolarHBondContact O-CB 3.4Å; L455-N459 PolarHBondContact O-N 3.01Å; L455-N459 PolarHBondContact O-ND2 3.06Å; C456-N459 PolarHBondContact O-N 3.17Å; L457-N459 PolarHBondContact O-N 3.2Å
460	T	76	Confident	76.2	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.11	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.6	179.1	-66.1	0	0	0	0	112.1	Q345 A348 C456 L457	Q345-T460 HydrophobicContact CG-CG2 3.7Å; Q345-T460 PolarHBondContact NE2-O 2.83Å; A348-T460 HydrophobicContact CB-CG2 3.19Å; C456-T460 PolarHBondContact O-N 3.41Å; C456-T460 PolarHBondContact O-OG1 2.83Å; L457-T460 VanDerWaalsContact O-CB 3.3Å; L457-T460 WeakPolarHBondContact O-CB 3.44Å; L457-T460 PolarHBondContact O-N 3.46Å; L457-T460 VanDerWaalsContact O-N 3.15Å; L457-T460 PolarHBondContact O-OG1 2.92Å
461	F	65.6	Low	75.2	Confident	132 Å²	132	65 Å²	65	58%	0.579	35%	0.354	S	S	*	.	S	Bend	trans	-103	126.6	-179.9	-58.9	-79.3	0	0	0	107.6	L463	F461-L463 PolarHBondContact O-N 3.26Å
462	P	52.9	Low	74.1	Confident	87 Å²	87	67 Å²	67	57%	0.565	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-54.4	132.4	168.9	23	-29.8	0	0	0	107.5	S464	P462-S464 PolarHBondContact O-N 3.47Å
463	L	38.8	Very low	72.9	Confident	159 Å²	159	72.4 Å²	72.4	83%	0.832	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-50.3	119	168.7	-68.1	170.1	0	0	0	106.7	F461	F461-L463 PolarHBondContact O-N 3.26Å
464	S	32.9	Very low	71.3	Confident	163 Å²	163	76.3 Å²	76.3	100%	1.14	42%	0.424	S	S	*	.			trans	-59.4	0	-173.8	54.8	0	0	0	0	112.3	P462	P462-S464 PolarHBondContact O-N 3.47Å

Retrieved 464 of 464 residues in 363.2 ms (Link to these results)

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