A0A5K4FEM0_SCHMA Loading...

DUF1619 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 539 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	41.8	Very low	37.8	Very low	245 Å²	245	151.5 Å²	151.5	100%	1.207	81%	0.81	S	S	*	*				0	132.3	0	-79.7	168.3	75	0	0	108
2	I	40.2	Very low	37.2	Very low	167 Å²	167	153.8 Å²	153.8	86%	0.856	81%	0.808	S	S	*	*			trans	-64.2	129.8	-174.8	-65.1	157.8	0	0	0	110.3
3	Q	37.2	Very low	37	Very low	192 Å²	192	153.2 Å²	153.2	90%	0.897	80%	0.803	S	S	*	*			trans	178.3	110.3	130.9	-97.4	176	0.6	0	0	109.3
4	S	41.2	Very low	36.5	Very low	118 Å²	118	150.6 Å²	150.6	83%	0.825	80%	0.797	S	S	*	*			trans	-139.5	145.3	165.9	-176	0	0	0	0	107
5	P	44.8	Very low	36.1	Very low	116 Å²	116	151.5 Å²	151.5	75%	0.753	80%	0.795	S	S	*	*			trans	-99.7	159.5	-133	36	-34.1	0	0	0	115	L7	P5-L7 PolarHBondContact O-N 3.17Å
6	V	36.5	Very low	35.8	Very low	127 Å²	127	153.9 Å²	153.9	77%	0.77	80%	0.797	S	S	*	*			trans	-56.1	118.4	167.4	176.9	0	0	0	0	110.3	L8	V6-L8 HydrophobicContact CG1-CB 4.49Å
7	L	37.2	Very low	35.2	Very low	151 Å²	151	154.1 Å²	154.1	79%	0.791	80%	0.798	S	S	*	*			trans	-135.7	89.9	153.3	-155.3	79.4	0	0	0	108.1	P5 L9	P5-L7 PolarHBondContact O-N 3.17Å; L7-L9 HydrophobicContact CD2-CD1 3.82Å; L7-L9 HydrophobicContact CG-CD1 4.36Å; L7-L9 PolarHBondContact O-N 3.03Å
8	L	35	Very low	34.9	Very low	149 Å²	149	157.9 Å²	157.9	78%	0.78	80%	0.8	S	S	*	*			trans	-86.1	86.5	-179.8	-146.5	123.2	0	0	0	108.1	V6 V10	V6-L8 HydrophobicContact CG1-CB 4.49Å; L8-V10 HydrophobicContact CD2-CG2 3.98Å; L8-V10 PolarHBondContact O-N 2.97Å
9	L	35.3	Very low	34.6	Very low	123 Å²	123	155.1 Å²	155.1	64%	0.644	79%	0.794	S	S	*	*			trans	-88.7	98.1	173.4	-100.9	150.3	0	0	0	109.1	L7 F11	L7-L9 HydrophobicContact CD2-CD1 3.82Å; L7-L9 HydrophobicContact CG-CD1 4.36Å; L7-L9 PolarHBondContact O-N 3.03Å; L9-F11 HydrophobicContact CB-CD2 4.41Å; L9-F11 HydrophobicContact CB-CE2 4.5Å; L9-F11 HydrophobicContact CD2-CD2 4.42Å; L9-F11 HydrophobicContact CD2-CE2 3.93Å; L9-F11 PolarHBondContact O-N 2.85Å
10	V	32.5	Very low	34.2	Very low	100 Å²	100	155.2 Å²	155.2	61%	0.606	79%	0.794	S	S	*	*			trans	-71.9	99.3	171.3	178.9	0	0	0	0	108.4	L8 F12	L8-V10 HydrophobicContact CD2-CG2 3.98Å; L8-V10 PolarHBondContact O-N 2.97Å; V10-F12 HydrophobicContact CG1-CD2 4.2Å; V10-F12 HydrophobicContact CG1-CE2 4.06Å
11	F	34.5	Very low	34.1	Very low	179 Å²	179	157.1 Å²	157.1	79%	0.785	80%	0.797	S	S	*	*			trans	-90.5	110.8	167.5	-93.4	-84.7	0	0	0	109.7	L9 I13	L9-F11 HydrophobicContact CB-CD2 4.41Å; L9-F11 HydrophobicContact CB-CE2 4.5Å; L9-F11 HydrophobicContact CD2-CD2 4.42Å; L9-F11 HydrophobicContact CD2-CE2 3.93Å; L9-F11 PolarHBondContact O-N 2.85Å; F11-I13 PolarHBondContact O-N 2.94Å
12	F	30.8	Very low	33.6	Very low	179 Å²	179	151.3 Å²	151.3	79%	0.785	77%	0.771	S	S	*	*			trans	-62.9	123.7	173.3	-84.8	-96.5	0	0	0	111	V10 T14	V10-F12 HydrophobicContact CG1-CD2 4.2Å; V10-F12 HydrophobicContact CG1-CE2 4.06Å; F12-T14 PolarHBondContact O-N 3.01Å
13	I	34	Very low	33.3	Very low	145 Å²	145	151.5 Å²	151.5	74%	0.744	77%	0.774	S	S	*	*			trans	-71.6	108.2	167.2	-65.7	170.1	0	0	0	107.8	F11 H15	F11-I13 PolarHBondContact O-N 2.94Å; I13-H15 WeakPolarHBondContact CG2-ND1 3.44Å; I13-H15 PolarHBondContact O-N 3.12Å; I13-H15 VanDerWaalsContact O-N 3.11Å
14	T	30	Very low	33.4	Very low	117 Å²	117	152.8 Å²	152.8	72%	0.718	77%	0.771	S	S	*	*			trans	-76.3	81.9	170.3	44.3	0	0	0	0	110.1	F12 F16	F12-T14 PolarHBondContact O-N 3.01Å; T14-F16 PolarHBondContact O-N 3.1Å
15	H	30.7	Very low	33.5	Very low	164 Å²	164	153.4 Å²	153.4	76%	0.759	77%	0.769	S	S	*	*			trans	-79.1	109.9	157.8	-95.7	65.5	0	0	0	108.8	I13 I17	I13-H15 WeakPolarHBondContact CG2-ND1 3.44Å; I13-H15 PolarHBondContact O-N 3.12Å; I13-H15 VanDerWaalsContact O-N 3.11Å; H15-I17 PolarHBondContact O-N 2.02Å
16	F	30.9	Very low	33.6	Very low	191 Å²	191	149.7 Å²	149.7	84%	0.838	75%	0.745	S	S	*	*			trans	-48.5	93.6	172.6	-76.8	-100.4	0	0	0	111.9	T14 R18	T14-F16 PolarHBondContact O-N 3.1Å; F16-R18 PolarHBondContact O-N 3.49Å
17	I	26.6	Very low	34.1	Very low	156 Å²	156	151.5 Å²	151.5	80%	0.8	75%	0.75	S	S	*	*			trans	-76.2	102.5	156.6	-61.4	172.2	0	0	0	105.6	H15 P19	H15-I17 PolarHBondContact O-N 2.02Å; I17-P19 VanDerWaalsContact O-CD 3.26Å; I17-P19 WeakPolarHBondContact O-CD 3.36Å
18	R	30	Very low	34.8	Very low	224 Å²	224	145 Å²	145	85%	0.845	72%	0.717	S	S	*	*			trans	-64.7	115.5	165.2	-70.8	-175.3	177.3	-158	-0.7	107.5	F16 I20	F16-R18 PolarHBondContact O-N 3.49Å; R18-I20 PolarHBondContact O-N 3.18Å
19	P	28.8	Very low	35.7	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	69%	0.691	S	S	*	*			trans	-70.6	122	172.8	28.9	-30.3	0	0	0	108.1	I17 F21	I17-P19 VanDerWaalsContact O-CD 3.26Å; I17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-F21 PolarHBondContact O-N 2.71Å; P19-F21 VanDerWaalsContact O-N 3.15Å
20	I	26.4	Very low	36.7	Very low	157 Å²	157	139.6 Å²	139.6	81%	0.805	69%	0.688	S	S	*	*			trans	-59.4	115.8	168.1	-62.8	165.3	0	0	0	106.4	R18 N22	R18-I20 PolarHBondContact O-N 3.18Å; I20-N22 VanDerWaalsContact C-N 3.35Å; I20-N22 PolarHBondContact O-N 2.92Å
21	F	32.6	Very low	37.9	Very low	195 Å²	195	142.5 Å²	142.5	86%	0.855	69%	0.688	S	S	*	*			trans	-62.2	94.8	173.9	-90.4	-97.3	0	0	0	108.6	P19	P19-F21 PolarHBondContact O-N 2.71Å; P19-F21 VanDerWaalsContact O-N 3.15Å
22	N	29.8	Very low	39.2	Very low	124 Å²	124	139.2 Å²	139.2	66%	0.663	69%	0.685	S	S	*	*			trans	-78	133.1	153.2	-99.4	-12.8	0	0	0	107.1	I20 R24	I20-N22 VanDerWaalsContact C-N 3.35Å; I20-N22 PolarHBondContact O-N 2.92Å; N22-R24 VanDerWaalsContact C-N 3.29Å; N22-R24 VanDerWaalsContact O-CG 3.26Å; N22-R24 WeakPolarHBondContact O-CG 3.22Å; N22-R24 PolarHBondContact O-N 3.17Å
23	D	34.9	Very low	40.5	Very low	171 Å²	171	136.3 Å²	136.3	91%	0.914	69%	0.687	S	S	*	*			trans	-36	77.9	178.7	-73.2	-40.1	0	0	0	115
24	R	38.2	Very low	41.8	Very low	219 Å²	219	132 Å²	132	83%	0.826	67%	0.667	S	S	*	*			trans	-96.7	106.1	-179.2	-81.6	172.1	-166	-145.4	5.1	108.2	N22 C26	N22-R24 VanDerWaalsContact C-N 3.29Å; N22-R24 VanDerWaalsContact O-CG 3.26Å; N22-R24 WeakPolarHBondContact O-CG 3.22Å; N22-R24 PolarHBondContact O-N 3.17Å; R24-C26 PolarHBondContact O-N 3.05Å
25	V	44.8	Very low	43.5	Very low	131 Å²	131	128.8 Å²	128.8	79%	0.794	65%	0.649	S	S	*	*			trans	-50.2	131.3	171.6	177.6	0	0	0	0	110.3
26	C	46.2	Very low	45	Very low	37 Å²	37	123.9 Å²	123.9	25%	0.25	63%	0.628	C	S	.	*			trans	-81.9	132.3	179.8	-169.3	0	0	0	0	111.9	R24 C28 I30 C41	R24-C26 PolarHBondContact O-N 3.05Å; C26-C28 PolarHBondContact SG-SG 2.69Å; C26-I30 HydrophobicContact CB-CG2 4.2Å; C26-I30 VanDerWaalsContact SG-CG2 3.59Å; C26-C41 WeakPolarHBondContact CA-SG 2.95Å; C26-C41 HydrophobicContact CB-CB 3.57Å; C26-C41 WeakPolarHBondContact CB-SG 3.33Å; C26-C41 WeakPolarHBondContact SG-CB 3Å; C26-C41 CovalentContact SG-SG 2.02Å; C26-C41 PolarHBondContact SG-SG 2.91Å
27	L	47.6	Very low	46.1	Very low	166 Å²	166	121.4 Å²	121.4	87%	0.869	62%	0.617	S	S	*	*			trans	-99.7	-1.5	178.6	-65.8	174.3	0	0	0	113.2
28	C	52	Low	47.5	Very low	14 Å²	14	120.7 Å²	120.7	10%	0.095	61%	0.608	C	S	.	*	S	Bend	trans	-72.4	162.4	175.9	-38.6	0	0	0	0	110.6	C26 I30 D36 C39 C41 D42	C26-C28 PolarHBondContact SG-SG 2.69Å; C28-I30 HydrophobicContact CB-CG2 4.41Å; C28-I30 PolarHBondContact O-N 2.98Å; C28-D36 WeakPolarHBondContact CA-OD2 3.2Å; C28-D36 HydrophobicContact CB-CB 4Å; C28-C39 WeakPolarHBondContact CA-SG 3.3Å; C28-C39 HydrophobicContact CB-CB 3.64Å; C28-C39 WeakPolarHBondContact CB-SG 3.34Å; C28-C39 WeakPolarHBondContact SG-CB 3.19Å; C28-C39 CovalentContact SG-SG 1.97Å; C28-C39 PolarHBondContact SG-SG 3.31Å; C28-C41 PolarHBondContact SG-SG 2.77Å; C28-D42 HydrophobicContact CB-CB 3.86Å
29	D	53.1	Low	48.7	Very low	46 Å²	46	111.4 Å²	111.4	25%	0.246	58%	0.578	C	S	.	*			trans	-61.2	123.2	151	-167.5	-2.2	0	0	0	109.2	R31 D36	D29-R31 WeakPolarHBondContact OD1-CB 3.37Å; D29-R31 WeakPolarHBondContact OD1-CG 3.19Å; D29-R31 PolarHBondContact OD1-N 3.24Å; D29-R31 VanDerWaalsContact OD1-N 3.09Å; D29-R31 IonicContact OD1-NE 2.79Å; D29-R31 PolarHBondContact OD1-NE 3.41Å; D29-R31 IonicContact OD2-CZ 3.91Å; D29-R31 IonicContact OD2-NE 3.68Å; D29-R31 PolarHBondContact OD2-NE 2.84Å; D29-R31 IonicContact OD2-NH2 2.86Å; D29-R31 PolarHBondContact OD2-NH2 2.83Å; D29-D36 HydrophobicContact CB-CB 4.37Å; D29-D36 PolarHBondContact N-OD2 2.74Å; D29-D36 VanDerWaalsContact N-OD2 3.11Å
30	I	56.9	Low	50.1	Low	113 Å²	113	113 Å²	113	58%	0.579	58%	0.576	S	S	*	*			trans	-114.8	21.6	177.7	58.3	165.6	0	0	0	111.6	C26 C28	C26-I30 HydrophobicContact CB-CG2 4.2Å; C26-I30 VanDerWaalsContact SG-CG2 3.59Å; C28-I30 HydrophobicContact CB-CG2 4.41Å; C28-I30 PolarHBondContact O-N 2.98Å
31	R	58.2	Low	51.7	Low	160 Å²	160	108.3 Å²	108.3	60%	0.604	56%	0.556	S	S	*	*			trans	-62.5	130.6	172.5	-75.7	-179.4	-66.7	170.3	0.7	109.1	D29 S33 V34	D29-R31 WeakPolarHBondContact OD1-CB 3.37Å; D29-R31 WeakPolarHBondContact OD1-CG 3.19Å; D29-R31 PolarHBondContact OD1-N 3.24Å; D29-R31 VanDerWaalsContact OD1-N 3.09Å; D29-R31 IonicContact OD1-NE 2.79Å; D29-R31 PolarHBondContact OD1-NE 3.41Å; D29-R31 IonicContact OD2-CZ 3.91Å; D29-R31 IonicContact OD2-NE 3.68Å; D29-R31 PolarHBondContact OD2-NE 2.84Å; D29-R31 IonicContact OD2-NH2 2.86Å; D29-R31 PolarHBondContact OD2-NH2 2.83Å; R31-S33 PolarHBondContact O-N 3.02Å; R31-V34 HydrophobicContact CB-CB 4.31Å; R31-V34 HydrophobicContact CB-CG2 4.08Å; R31-V34 PolarHBondContact O-N 2.86Å; R31-V34 VanDerWaalsContact O-N 3.14Å
32	P	59.8	Low	53.1	Low	111 Å²	111	99 Å²	99	72%	0.721	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	135.7	178.1	-25.3	32.2	0	0	0	111.8	V34	P32-V34 VanDerWaalsContact C-N 3.34Å
33	S	59.4	Low	54.7	Low	118 Å²	118	98.4 Å²	98.4	83%	0.825	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	15.9	-179.1	-46.8	0	0	0	0	116	R31 D44	R31-S33 PolarHBondContact O-N 3.02Å; S33-D44 PolarHBondContact N-OD2 3.08Å
34	V	60.5	Low	56.1	Low	55 Å²	55	93 Å²	93	33%	0.333	49%	0.488	S	S	.	.			trans	-120.6	101.9	176.8	-176.3	0	0	0	0	109.2	R31 P32 D36	R31-V34 HydrophobicContact CB-CB 4.31Å; R31-V34 HydrophobicContact CB-CG2 4.08Å; R31-V34 PolarHBondContact O-N 2.86Å; R31-V34 VanDerWaalsContact O-N 3.14Å; P32-V34 VanDerWaalsContact C-N 3.34Å; V34-D36 PolarHBondContact O-N 2.75Å
35	C	66.3	Low	57.2	Low	48 Å²	48	83.6 Å²	83.6	32%	0.324	46%	0.455	S	S	.	.			trans	-80.5	114.3	176.3	168.7	0	0	0	0	111.7	K37 D42 C45	C35-K37 PolarHBondContact O-N 2.87Å; C35-D42 WeakPolarHBondContact CA-OD2 3.07Å; C35-C45 VanDerWaalsContact C-SG 3.56Å; C35-C45 WeakPolarHBondContact CA-SG 3.32Å; C35-C45 HydrophobicContact CB-CB 4.28Å; C35-C45 WeakPolarHBondContact CB-SG 3.42Å; C35-C45 VanDerWaalsContact SG-CA 3.54Å; C35-C45 WeakPolarHBondContact SG-CB 3.32Å; C35-C45 CovalentContact SG-SG 2.06Å; C35-C45 PolarHBondContact SG-SG 2.98Å
36	D	62.8	Low	57.8	Low	62 Å²	62	82.7 Å²	82.7	33%	0.332	44%	0.441	S	S	.	.			trans	-82.9	90	167.4	-162.1	-0.6	0	0	0	110	C28 D29 V34 F38 C39 D42 C45	C28-D36 WeakPolarHBondContact CA-OD2 3.2Å; C28-D36 HydrophobicContact CB-CB 4Å; D29-D36 HydrophobicContact CB-CB 4.37Å; D29-D36 PolarHBondContact N-OD2 2.74Å; D29-D36 VanDerWaalsContact N-OD2 3.11Å; V34-D36 PolarHBondContact O-N 2.75Å; D36-F38 PolarHBondContact O-N 2.85Å; D36-C39 HydrophobicContact CB-CB 4.08Å; D36-C39 WeakPolarHBondContact O-CB 3.39Å; D36-C39 PolarHBondContact O-N 2.9Å; D36-C39 VanDerWaalsContact O-N 3.11Å; D36-D42 PolarHBondContact N-OD2 3.12Å; D36-C45 VanDerWaalsContact C-SG 3.56Å; D36-C45 PolarHBondContact N-SG 2.83Å; D36-C45 VanDerWaalsContact N-SG 3.42Å; D36-C45 PolarHBondContact O-SG 2.63Å; D36-C45 VanDerWaalsContact O-SG 3.38Å
37	K	54.2	Low	58.2	Low	139 Å²	139	85.3 Å²	85.3	60%	0.604	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	140	-178.7	-67.2	-179.4	-179.9	179.9	0	110	C35	C35-K37 PolarHBondContact O-N 2.87Å
38	F	54.5	Low	58.2	Low	140 Å²	140	80.7 Å²	80.7	61%	0.614	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	9.8	-174.8	-46.6	-76.9	0	0	0	115.9	D36 F53 Y56	D36-F38 PolarHBondContact O-N 2.85Å; F38-F53 HydrophobicContact CE1-CB 4.22Å; F38-F53 AromaticContact CE1-CD2 3.55Å; F38-F53 HydrophobicContact CE1-CD2 3.55Å; F38-F53 HydrophobicContact CE1-CE2 4.27Å; F38-F53 HydrophobicContact CE1-CG 4.04Å; F38-F53 AromaticContact CZ-CD2 3.91Å; F38-F53 HydrophobicContact CZ-CD2 3.91Å; F38-F53 HydrophobicContact CZ-CE2 4.19Å; F38-Y56 WeakPolarHBondContact O-CE1 3.25Å
39	C	56.1	Low	58.1	Low	30 Å²	30	88.7 Å²	88.7	20%	0.203	49%	0.488	C	S	.	.			trans	-115.7	107.4	-174.4	-150.5	0	0	0	0	113.4	C28 D36 C41 D42	C28-C39 WeakPolarHBondContact CA-SG 3.3Å; C28-C39 HydrophobicContact CB-CB 3.64Å; C28-C39 WeakPolarHBondContact CB-SG 3.34Å; C28-C39 WeakPolarHBondContact SG-CB 3.19Å; C28-C39 CovalentContact SG-SG 1.97Å; C28-C39 PolarHBondContact SG-SG 3.31Å; D36-C39 HydrophobicContact CB-CB 4.08Å; D36-C39 WeakPolarHBondContact O-CB 3.39Å; D36-C39 PolarHBondContact O-N 2.9Å; D36-C39 VanDerWaalsContact O-N 3.11Å; C39-C41 VanDerWaalsContact C-N 3.29Å; C39-C41 PolarHBondContact O-N 3.08Å; C39-D42 PolarHBondContact O-N 3.31Å
40	Q	58.6	Low	57.6	Low	138 Å²	138	91.9 Å²	91.9	65%	0.645	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.7	-165.1	-161.1	178.8	13.4	0	0	115.4	F46	Q40-F46 HydrophobicContact CG-CZ 3.89Å; Q40-F46 WeakPolarHBondContact O-CE2 3.48Å; Q40-F46 WeakPolarHBondContact O-CZ 3.43Å
41	C	59.5	Low	56.8	Low	57 Å²	57	93.1 Å²	93.1	39%	0.385	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-3.3	178.6	56.3	0	0	0	0	113.1	C26 C28 C39 T43	C26-C41 WeakPolarHBondContact CA-SG 2.95Å; C26-C41 HydrophobicContact CB-CB 3.57Å; C26-C41 WeakPolarHBondContact CB-SG 3.33Å; C26-C41 WeakPolarHBondContact SG-CB 3Å; C26-C41 CovalentContact SG-SG 2.02Å; C26-C41 PolarHBondContact SG-SG 2.91Å; C28-C41 PolarHBondContact SG-SG 2.77Å; C39-C41 VanDerWaalsContact C-N 3.29Å; C39-C41 PolarHBondContact O-N 3.08Å; C41-T43 PolarHBondContact O-N 3.09Å
42	D	61.4	Low	55.9	Low	1 Å²	1	89.6 Å²	89.6	1%	0.005	51%	0.512	C	S	.	.			trans	-78.7	106	168.9	-178.7	-0.6	0	0	0	109	C28 C35 D36 C39 D44 C45 F46	C28-D42 HydrophobicContact CB-CB 3.86Å; C35-D42 WeakPolarHBondContact CA-OD2 3.07Å; D36-D42 PolarHBondContact N-OD2 3.12Å; C39-D42 PolarHBondContact O-N 3.31Å; D42-D44 PolarHBondContact O-N 3.34Å; D42-D44 WeakPolarHBondContact OD1-CB 3.2Å; D42-D44 PolarHBondContact OD1-N 2.81Å; D42-C45 PolarHBondContact O-N 2.83Å; D42-C45 PolarHBondContact OD2-SG 3.35Å; D42-C45 VanDerWaalsContact OD2-SG 3.39Å; D42-F46 VanDerWaalsContact O-CD2 3.26Å; D42-F46 WeakPolarHBondContact O-CD2 3.39Å; D42-F46 WeakPolarHBondContact O-CE2 3.01Å
43	T	63	Low	54.8	Low	111 Å²	111	91.7 Å²	91.7	68%	0.681	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-66.2	-23.7	-178.4	49.5	0	0	0	0	112.9	C41 C45 F46	C41-T43 PolarHBondContact O-N 3.09Å; T43-C45 PolarHBondContact O-N 2.92Å; T43-F46 PolarHBondContact O-N 2.75Å
44	D	65.7	Low	54	Low	58 Å²	58	91.8 Å²	91.8	31%	0.31	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-71.7	-20.3	-179.4	-68.3	-11.7	0	0	0	111.5	S33 D42 S47	S33-D44 PolarHBondContact N-OD2 3.08Å; D42-D44 PolarHBondContact O-N 3.34Å; D42-D44 WeakPolarHBondContact OD1-CB 3.2Å; D42-D44 PolarHBondContact OD1-N 2.81Å; D44-S47 PolarHBondContact O-OG 2.82Å
45	C	60.8	Low	52.7	Low	21 Å²	21	94.1 Å²	94.1	14%	0.142	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-80.8	-13.8	174.7	-66.6	0	0	0	0	114.2	C35 D36 D42 T43	C35-C45 VanDerWaalsContact C-SG 3.56Å; C35-C45 WeakPolarHBondContact CA-SG 3.32Å; C35-C45 HydrophobicContact CB-CB 4.28Å; C35-C45 WeakPolarHBondContact CB-SG 3.42Å; C35-C45 VanDerWaalsContact SG-CA 3.54Å; C35-C45 WeakPolarHBondContact SG-CB 3.32Å; C35-C45 CovalentContact SG-SG 2.06Å; C35-C45 PolarHBondContact SG-SG 2.98Å; D36-C45 VanDerWaalsContact C-SG 3.56Å; D36-C45 PolarHBondContact N-SG 2.83Å; D36-C45 VanDerWaalsContact N-SG 3.42Å; D36-C45 PolarHBondContact O-SG 2.63Å; D36-C45 VanDerWaalsContact O-SG 3.38Å; D42-C45 PolarHBondContact O-N 2.83Å; D42-C45 PolarHBondContact OD2-SG 3.35Å; D42-C45 VanDerWaalsContact OD2-SG 3.39Å; T43-C45 PolarHBondContact O-N 2.92Å
46	F	56.9	Low	51.5	Low	112 Å²	112	97.9 Å²	97.9	49%	0.491	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-91.5	-2.2	179.5	-68.1	-83.5	0	0	0	114	Q40 D42 T43 G48	Q40-F46 HydrophobicContact CG-CZ 3.89Å; Q40-F46 WeakPolarHBondContact O-CE2 3.48Å; Q40-F46 WeakPolarHBondContact O-CZ 3.43Å; D42-F46 VanDerWaalsContact O-CD2 3.26Å; D42-F46 WeakPolarHBondContact O-CD2 3.39Å; D42-F46 WeakPolarHBondContact O-CE2 3.01Å; T43-F46 PolarHBondContact O-N 2.75Å; F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 3.4Å
47	S	54	Low	50.1	Low	91 Å²	91	102.3 Å²	102.3	64%	0.636	56%	0.56	S	S	*	*	S	Bend	trans	-71.6	86.1	173.7	63.6	0	0	0	0	110.6	D44 E49	D44-S47 PolarHBondContact O-OG 2.82Å; S47-E49 VanDerWaalsContact C-N 3.3Å; S47-E49 PolarHBondContact O-N 2.04Å
48	G	49.3	Very low	49	Very low	69 Å²	69	101.3 Å²	101.3	71%	0.711	57%	0.571	S	S	*	*	S	Bend	trans	65.7	-43.6	149.3	0	0	0	0	0	120.4	F46	F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 3.4Å
49	E	48.6	Very low	47.9	Very low	183 Å²	183	102.1 Å²	102.1	86%	0.855	58%	0.581	S	S	*	*	S	Bend	trans	-114.2	-6.5	-159.6	-69	-169.1	163.6	0	0	116	S47	S47-E49 VanDerWaalsContact C-N 3.3Å; S47-E49 PolarHBondContact O-N 2.04Å
50	N	43.1	Very low	46.5	Very low	112 Å²	112	109.9 Å²	109.9	60%	0.599	61%	0.614	S	S	*	*			trans	-120.6	34.1	-176.4	-80.2	-37	0	0	0	114.7	S52	N50-S52 VanDerWaalsContact C-N 3.3Å; N50-S52 PolarHBondContact O-N 3.27Å
51	N	39.4	Very low	45.2	Very low	139 Å²	139	114.9 Å²	114.9	74%	0.743	63%	0.627	S	S	*	*			trans	-78.5	74.7	173.9	-84.2	-11	0	0	0	112
52	S	40.4	Very low	43.7	Very low	86 Å²	86	115.8 Å²	115.8	60%	0.601	63%	0.634	S	S	*	*			trans	-121	120.6	161.4	-38	0	0	0	0	106.6	N50	N50-S52 VanDerWaalsContact C-N 3.3Å; N50-S52 PolarHBondContact O-N 3.27Å
53	F	37.3	Very low	42.5	Very low	156 Å²	156	119.4 Å²	119.4	68%	0.684	66%	0.66	S	S	*	*			trans	124.8	132.3	165.4	-57.5	-58	0	0	0	114.8	F38	F38-F53 HydrophobicContact CE1-CB 4.22Å; F38-F53 AromaticContact CE1-CD2 3.55Å; F38-F53 HydrophobicContact CE1-CD2 3.55Å; F38-F53 HydrophobicContact CE1-CE2 4.27Å; F38-F53 HydrophobicContact CE1-CG 4.04Å; F38-F53 AromaticContact CZ-CD2 3.91Å; F38-F53 HydrophobicContact CZ-CD2 3.91Å; F38-F53 HydrophobicContact CZ-CE2 4.19Å
54	S	42.2	Very low	41.2	Very low	119 Å²	119	122.1 Å²	122.1	83%	0.832	66%	0.664	S	S	*	*			trans	-123.1	21.7	-155.3	55.3	0	0	0	0	115.6
55	S	32.3	Very low	40	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	67%	0.672	S	S	*	*			trans	-159	144	175.9	53.3	0	0	0	0	114
56	Y	41.3	Very low	39.4	Very low	128 Å²	128	123.3 Å²	123.3	50%	0.502	68%	0.684	S	S	.	*			trans	-135.1	144.4	-177.2	-63.1	-87.8	0	0	0	111.4	F38	F38-Y56 WeakPolarHBondContact O-CE1 3.25Å
57	I	32.7	Very low	39.3	Very low	154 Å²	154	124.8 Å²	124.8	79%	0.79	69%	0.687	S	S	*	*			trans	-97.5	115.6	176.8	-65.2	167.8	0	0	0	108.6	L59	I57-L59 HydrophobicContact CG2-CD1 4.07Å; I57-L59 HydrophobicContact CG2-CG 3.96Å; I57-L59 PolarHBondContact O-N 3.1Å
58	S	31	Very low	39.3	Very low	119 Å²	119	124.8 Å²	124.8	83%	0.832	67%	0.673	S	S	*	*			trans	-83.2	100.1	170.7	45.6	0	0	0	0	110
59	L	32.5	Very low	39.6	Very low	157 Å²	157	124 Å²	124	82%	0.822	66%	0.656	S	S	*	*			trans	-92.9	121.3	170	-83.4	154	0	0	0	110.1	I57	I57-L59 HydrophobicContact CG2-CD1 4.07Å; I57-L59 HydrophobicContact CG2-CG 3.96Å; I57-L59 PolarHBondContact O-N 3.1Å
60	E	26.7	Very low	39.9	Very low	193 Å²	193	117.8 Å²	117.8	90%	0.902	63%	0.628	S	S	*	*			trans	-68.1	125.4	170.2	-72.8	-176.9	155.5	0	0	110.8
61	R	32.1	Very low	40.4	Very low	242 Å²	242	114 Å²	114	91%	0.913	61%	0.61	S	S	*	*			trans	-4.1	140.9	167.2	-99.8	179.6	178.2	-178.8	0.7	120.2
62	S	27.7	Very low	41	Very low	76 Å²	76	113.3 Å²	113.3	53%	0.531	60%	0.6	S	S	.	*				-161.1	127.7	100.6	52.3	0	0	0	0	113.3	R108	S62-R108 PolarHBondContact OG-NH1 2.94Å
63	S	35	Very low	41.4	Very low	78 Å²	78	112.2 Å²	112.2	55%	0.545	60%	0.602	S	S	.	*			trans	40.7	121.3	146.2	60.3	0	0	0	0	123.2
64	H	36.3	Very low	41.5	Very low	168 Å²	168	108.9 Å²	108.9	78%	0.778	59%	0.591	S	S	*	*				41.4	112.4	123.7	-56.3	-76.7	0	0	0	118.2	S66	H64-S66 PolarHBondContact O-N 2.91Å; H64-S66 VanDerWaalsContact O-N 3.09Å
65	G	40.4	Very low	41.7	Very low	45 Å²	45	105.6 Å²	105.6	46%	0.464	56%	0.56	S	S	.	*			trans	-55.6	113.7	154	0	0	0	0	0	109.7	D95	G65-D95 WeakPolarHBondContact CA-O 3.41Å; G65-D95 VanDerWaalsContact CA-OD1 3.29Å; G65-D95 WeakPolarHBondContact CA-OD1 3.33Å
66	S	49.3	Very low	42.3	Very low	59 Å²	59	109.2 Å²	109.2	41%	0.413	56%	0.563	S	S	.	*			trans	-83.3	118.3	-178.6	-24.2	0	0	0	0	107.5	H64 W68 D95	H64-S66 PolarHBondContact O-N 2.91Å; H64-S66 VanDerWaalsContact O-N 3.09Å; S66-W68 WeakPolarHBondContact O-CZ3 3.42Å; S66-D95 WeakPolarHBondContact CB-OD2 3.34Å; S66-D95 PolarHBondContact N-OD2 2.88Å; S66-D95 PolarHBondContact O-N 3.36Å; S66-D95 PolarHBondContact OG-OD2 2.9Å
67	R	53.7	Low	42.2	Very low	142 Å²	142	109.1 Å²	109.1	54%	0.536	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.3	119.2	167.3	-174.9	-179.6	179.1	-158.1	-5.3	108.3	D87 C92 F93	R67-D87 IonicContact CZ-OD2 3.48Å; R67-D87 IonicContact NH2-OD2 3.51Å; R67-D87 PolarHBondContact NH2-OD2 2.97Å; R67-C92 PolarHBondContact NH2-SG 3.4Å; R67-F93 CarbonylContact C-O 3.37Å; R67-F93 VanDerWaalsContact CA-O 3.3Å; R67-F93 WeakPolarHBondContact CA-O 3.49Å
68	W	53.2	Low	42.9	Very low	91 Å²	91	106.6 Å²	106.6	35%	0.345	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.2	141.4	172	62.3	90.6	0	0	0	110.3	S66 F82 C92 F93 D95	S66-W68 WeakPolarHBondContact O-CZ3 3.42Å; W68-F82 AromaticContact CH2-CD1 3.57Å; W68-F82 HydrophobicContact CH2-CD1 3.57Å; W68-F82 HydrophobicContact CH2-CD2 4.19Å; W68-F82 AromaticContact CH2-CE1 3.56Å; W68-F82 HydrophobicContact CH2-CE1 3.56Å; W68-F82 HydrophobicContact CH2-CE2 4.18Å; W68-F82 AromaticContact CH2-CG 3.92Å; W68-F82 HydrophobicContact CH2-CG 3.92Å; W68-F82 AromaticContact CH2-CZ 3.9Å; W68-F82 HydrophobicContact CH2-CZ 3.9Å; W68-F82 AromaticContact CZ2-CD1 3.88Å; W68-F82 HydrophobicContact CZ2-CD1 3.88Å; W68-F82 AromaticContact CZ2-CD2 3.62Å; W68-F82 HydrophobicContact CZ2-CD2 3.62Å; W68-F82 AromaticContact CZ2-CE1 3.95Å; W68-F82 HydrophobicContact CZ2-CE1 3.95Å; W68-F82 AromaticContact CZ2-CE2 3.69Å; W68-F82 HydrophobicContact CZ2-CE2 3.69Å; W68-F82 AromaticContact CZ2-CG 3.74Å; W68-F82 HydrophobicContact CZ2-CG 3.74Å; W68-F82 AromaticContact CZ2-CZ 3.87Å; W68-F82 HydrophobicContact CZ2-CZ 3.87Å; W68-C92 CarbonylContact O-C 3.56Å; W68-C92 WeakPolarHBondContact O-CA 3.25Å; W68-F93 AromaticContact CD1-CD2 3.69Å; W68-F93 HydrophobicContact CD2-CB 4.14Å; W68-F93 HydrophobicContact CG-CB 4.44Å; W68-F93 HydrophobicContact CZ2-CB 3.81Å; W68-F93 PolarHBondContact N-O 2.98Å; W68-F93 AromaticContact NE1-CD2 3.42Å; W68-F93 AromaticContact NE1-CG 3.73Å; W68-F93 PolarHBondContact O-N 3.49Å; W68-D95 HydrophobicContact CH2-CB 4.49Å; W68-D95 HydrophobicContact CZ3-CB 4.38Å
69	C	55.6	Low	43.3	Very low	54 Å²	54	108 Å²	108	37%	0.365	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.6	141.4	-175.4	-55.5	0	0	0	0	110.2	N90 I91 C92	C69-N90 HydrophobicContact CB-CB 4.26Å; C69-I91 CarbonylContact C-O 3.47Å; C69-I91 WeakPolarHBondContact CA-O 3.38Å; C69-C92 HydrophobicContact CB-CB 4.08Å; C69-C92 WeakPolarHBondContact CB-SG 3.45Å; C69-C92 WeakPolarHBondContact SG-CB 3.04Å; C69-C92 CovalentContact SG-SG 2.04Å; C69-C92 PolarHBondContact SG-SG 3.3Å
70	I	56.5	Low	43.9	Very low	52 Å²	52	102.4 Å²	102.4	27%	0.267	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.1	173	62.9	-174.2	0	0	0	110.1	K72 Y75 N90 I91 F93	I70-K72 PolarHBondContact O-N 3.36Å; I70-Y75 HydrophobicContact CD1-CD2 3.4Å; I70-Y75 HydrophobicContact CD1-CE2 4.3Å; I70-Y75 HydrophobicContact CD1-CG 3.74Å; I70-N90 CarbonylContact O-C 3.52Å; I70-N90 WeakPolarHBondContact O-CA 3.26Å; I70-I91 PolarHBondContact N-O 3.47Å; I70-I91 PolarHBondContact O-N 3.35Å; I70-F93 HydrophobicContact CD1-CE2 3.69Å; I70-F93 HydrophobicContact CD1-CZ 4.28Å; I70-F93 HydrophobicContact CG1-CE2 3.9Å
71	P	52.5	Low	44.8	Very low	33 Å²	33	94.8 Å²	94.8	21%	0.214	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	135.8	172	-26.2	31.8	0	0	0	112.2	G73 L74 N90 T121	P71-G73 PolarHBondContact O-N 2.79Å; P71-G73 VanDerWaalsContact O-N 3.16Å; P71-L74 HydrophobicContact CB-CD1 4Å; P71-L74 HydrophobicContact CB-CG 4.09Å; P71-L74 HydrophobicContact CG-CD1 3.73Å; P71-L74 HydrophobicContact CG-CG 4.38Å; P71-L74 WeakPolarHBondContact O-CB 3.18Å; P71-L74 PolarHBondContact O-N 2.68Å; P71-N90 WeakPolarHBondContact CA-OD1 2.95Å; P71-T121 HydrophobicContact CG-CG2 3.77Å
72	K	52	Low	45.9	Very low	124 Å²	124	85.4 Å²	85.4	54%	0.539	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-54.6	-36	-178.9	-178.5	177.3	-179.9	-179.1	0	112.9	I70 L74 Y75 E89 I91	I70-K72 PolarHBondContact O-N 3.36Å; K72-L74 PolarHBondContact O-N 2.66Å; K72-Y75 PolarHBondContact O-N 3.41Å; K72-E89 WeakPolarHBondContact CB-O 3.01Å; K72-E89 PolarHBondContact N-O 3.41Å; K72-I91 HydrophobicContact CB-CD1 4.4Å; K72-I91 HydrophobicContact CB-CG1 4.32Å; K72-I91 HydrophobicContact CG-CD1 4.16Å; K72-I91 HydrophobicContact CG-CG1 4.45Å
73	G	49.1	Very low	47.3	Very low	62 Å²	62	83.9 Å²	83.9	64%	0.639	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-71.6	-10.6	177.8	0	0	0	0	0	115.4	P71	P71-G73 PolarHBondContact O-N 2.79Å; P71-G73 VanDerWaalsContact O-N 3.16Å
74	L	39.9	Very low	48.5	Very low	86 Å²	86	87.3 Å²	87.3	45%	0.45	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-98.2	-2.6	178.1	-63.6	179	0	0	0	112.9	P71 K72 T121	P71-L74 HydrophobicContact CB-CD1 4Å; P71-L74 HydrophobicContact CB-CG 4.09Å; P71-L74 HydrophobicContact CG-CD1 3.73Å; P71-L74 HydrophobicContact CG-CG 4.38Å; P71-L74 WeakPolarHBondContact O-CB 3.18Å; P71-L74 PolarHBondContact O-N 2.68Å; K72-L74 PolarHBondContact O-N 2.66Å; L74-T121 HydrophobicContact CD1-CG2 4.37Å
75	Y	45.8	Very low	49.9	Very low	50 Å²	50	81.3 Å²	81.3	20%	0.196	45%	0.445	C	S	.	.			trans	-119.6	119.1	-172.5	-175.3	-109	0	0	0	111.9	I70 K72 L77 A80 I91 F93	I70-Y75 HydrophobicContact CD1-CD2 3.4Å; I70-Y75 HydrophobicContact CD1-CE2 4.3Å; I70-Y75 HydrophobicContact CD1-CG 3.74Å; K72-Y75 PolarHBondContact O-N 3.41Å; Y75-L77 WeakPolarHBondContact CE1-O 3.49Å; Y75-L77 PolarHBondContact OH-O 3.2Å; Y75-A80 WeakPolarHBondContact OH-CB 3.44Å; Y75-A80 PolarHBondContact OH-N 3.37Å; Y75-I91 HydrophobicContact CD1-CD1 3.5Å; Y75-I91 VanDerWaalsContact CD1-CD1 3.5Å; Y75-I91 HydrophobicContact CE1-CD1 4.22Å; Y75-I91 HydrophobicContact CG-CD1 4.22Å; Y75-F93 HydrophobicContact CD1-CZ 4.43Å; Y75-F93 HydrophobicContact CD2-CZ 4.07Å; Y75-F93 HydrophobicContact CE1-CE1 4.48Å; Y75-F93 AromaticContact CE1-CZ 3.99Å; Y75-F93 HydrophobicContact CE1-CZ 3.99Å; Y75-F93 HydrophobicContact CE2-CE1 4.36Å; Y75-F93 HydrophobicContact CE2-CE2 4.4Å; Y75-F93 AromaticContact CE2-CZ 3.61Å; Y75-F93 HydrophobicContact CE2-CZ 3.61Å; Y75-F93 HydrophobicContact CG-CZ 4.44Å; Y75-F93 AromaticContact CZ-CE1 3.99Å; Y75-F93 AromaticContact CZ-CZ 3.57Å
76	F	45.2	Very low	51.1	Low	180 Å²	180	85.9 Å²	85.9	79%	0.789	45%	0.454	S	S	*	.			trans	-116.5	6.9	-169.4	-70.5	-85.3	0	0	0	115.4
77	L	39.9	Very low	51.9	Low	127 Å²	127	87.6 Å²	87.6	67%	0.665	46%	0.458	S	S	*	.			trans	-119.1	133.3	-174.6	-67.3	170.9	0	0	0	112.2	Y75 N79	Y75-L77 WeakPolarHBondContact CE1-O 3.49Å; Y75-L77 PolarHBondContact OH-O 3.2Å; L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 3.02Å
78	S	46.8	Very low	52.6	Low	100 Å²	100	83.5 Å²	83.5	70%	0.699	46%	0.46	S	S	*	.	S	Bend	trans	-74.6	-14.8	-179	-172.6	0	0	0	0	114
79	N	38.7	Very low	53.1	Low	150 Å²	150	86.7 Å²	86.7	80%	0.802	48%	0.479	S	S	*	.			trans	-119.2	70	-165.4	-66.1	-8.3	0	0	0	111.9	L77	L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 3.02Å
80	A	46.3	Very low	53.3	Low	39 Å²	39	86.5 Å²	86.5	32%	0.322	48%	0.475	S	S	.	.			trans	-81.2	136.5	162.8	0	0	0	0	0	110.5	Y75 F82 F93	Y75-A80 WeakPolarHBondContact OH-CB 3.44Å; Y75-A80 PolarHBondContact OH-N 3.37Å; A80-F82 PolarHBondContact O-N 3.12Å; A80-F93 HydrophobicContact CB-CD1 3.73Å; A80-F93 HydrophobicContact CB-CE1 3.3Å; A80-F93 HydrophobicContact CB-CZ 4.29Å
81	A	45.2	Very low	53.6	Low	33 Å²	33	85 Å²	85	27%	0.273	47%	0.467	S	S	.	.	S	Bend	trans	-78.4	12.3	176	0	0	0	0	0	114.2	Y103	A81-Y103 VanDerWaalsContact CB-O 3.27Å; A81-Y103 WeakPolarHBondContact CB-O 3.47Å
82	F	55.1	Low	54.1	Low	44 Å²	44	83.4 Å²	83.4	19%	0.193	46%	0.457	C	S	.	.	S	Bend	trans	-116.1	149.8	-175	-57.6	-73.7	0	0	0	110.4	W68 A80 R84 F93 D95 L106	W68-F82 AromaticContact CH2-CD1 3.57Å; W68-F82 HydrophobicContact CH2-CD1 3.57Å; W68-F82 HydrophobicContact CH2-CD2 4.19Å; W68-F82 AromaticContact CH2-CE1 3.56Å; W68-F82 HydrophobicContact CH2-CE1 3.56Å; W68-F82 HydrophobicContact CH2-CE2 4.18Å; W68-F82 AromaticContact CH2-CG 3.92Å; W68-F82 HydrophobicContact CH2-CG 3.92Å; W68-F82 AromaticContact CH2-CZ 3.9Å; W68-F82 HydrophobicContact CH2-CZ 3.9Å; W68-F82 AromaticContact CZ2-CD1 3.88Å; W68-F82 HydrophobicContact CZ2-CD1 3.88Å; W68-F82 AromaticContact CZ2-CD2 3.62Å; W68-F82 HydrophobicContact CZ2-CD2 3.62Å; W68-F82 AromaticContact CZ2-CE1 3.95Å; W68-F82 HydrophobicContact CZ2-CE1 3.95Å; W68-F82 AromaticContact CZ2-CE2 3.69Å; W68-F82 HydrophobicContact CZ2-CE2 3.69Å; W68-F82 AromaticContact CZ2-CG 3.74Å; W68-F82 HydrophobicContact CZ2-CG 3.74Å; W68-F82 AromaticContact CZ2-CZ 3.87Å; W68-F82 HydrophobicContact CZ2-CZ 3.87Å; A80-F82 PolarHBondContact O-N 3.12Å; F82-R84 PolarHBondContact O-N 3.3Å; F82-F93 HydrophobicContact CB-CB 3.81Å; F82-F93 HydrophobicContact CB-CD1 4.04Å; F82-F93 HydrophobicContact CB-CG 4.36Å; F82-F93 HydrophobicContact CD2-CB 4.49Å; F82-F93 HydrophobicContact CG-CB 4.29Å; F82-D95 HydrophobicContact CD1-CB 4.34Å; F82-L106 HydrophobicContact CE1-CD1 4.42Å; F82-L106 HydrophobicContact CE2-CD1 3.95Å; F82-L106 HydrophobicContact CZ-CD1 3.41Å; F82-L106 VanDerWaalsContact CZ-CD1 3.41Å; F82-L106 HydrophobicContact CZ-CG 4Å
83	S	56.3	Low	54.6	Low	44 Å²	44	77.8 Å²	77.8	31%	0.308	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	126.7	172.3	67.9	0	0	0	0	109.7	F93 S94	S83-F93 WeakPolarHBondContact O-CA 3.4Å; S83-S94 PolarHBondContact N-O 2.86Å; S83-S94 PolarHBondContact O-N 2.95Å; S83-S94 PolarHBondContact O-OG 3.34Å; S83-S94 WeakPolarHBondContact OG-CB 3.49Å; S83-S94 PolarHBondContact OG-O 2.79Å; S83-S94 PolarHBondContact OG-OG 3.49Å
84	R	61.5	Low	54.9	Low	151 Å²	151	76.4 Å²	76.4	57%	0.57	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.8	-176.5	145.5	-175.6	-71.4	175.7	0.2	108.8	F82 C92	F82-R84 PolarHBondContact O-N 3.3Å; R84-C92 WeakPolarHBondContact CA-O 3.41Å
85	S	64.9	Low	55.4	Low	41 Å²	41	74.4 Å²	74.4	29%	0.287	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.2	158.6	51.5	0	0	0	0	109.2	C92	S85-C92 PolarHBondContact N-O 2.71Å; S85-C92 PolarHBondContact O-N 3.11Å; S85-C92 WeakPolarHBondContact OG-CB 3.35Å
86	Q	66.7	Low	55.3	Low	142 Å²	142	73.7 Å²	73.7	66%	0.664	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.2	170.5	-175	175.7	-19.4	0	0	107.9	G88	Q86-G88 PolarHBondContact NE2-O 3.42Å
87	D	64.5	Low	55.1	Low	94 Å²	94	72.2 Å²	72.2	50%	0.503	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	86.6	176.9	-163	-0.8	0	0	0	107.3	R67 E89 N90	R67-D87 IonicContact CZ-OD2 3.48Å; R67-D87 IonicContact NH2-OD2 3.51Å; R67-D87 PolarHBondContact NH2-OD2 2.97Å; D87-E89 PolarHBondContact O-N 3.33Å; D87-N90 PolarHBondContact N-O 2.51Å; D87-N90 PolarHBondContact O-N 2.04Å
88	G	68.3	Low	55.3	Low	56 Å²	56	74.5 Å²	74.5	58%	0.577	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-125.8	-173.1	0	0	0	0	0	113.8	Q86 N90	Q86-G88 PolarHBondContact NE2-O 3.42Å; G88-N90 VanDerWaalsContact C-N 3.29Å
89	E	64.5	Low	54.9	Low	158 Å²	158	75.4 Å²	75.4	74%	0.738	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	0	178.8	-68.2	-161.7	158.3	0	0	114.1	K72 D87	K72-E89 WeakPolarHBondContact CB-O 3.01Å; K72-E89 PolarHBondContact N-O 3.41Å; D87-E89 PolarHBondContact O-N 3.33Å
90	N	59.1	Low	55	Low	51 Å²	51	79 Å²	79	27%	0.273	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.6	178.1	-64.3	-45.2	0	0	0	111.3	C69 I70 P71 D87 G88	C69-N90 HydrophobicContact CB-CB 4.26Å; I70-N90 CarbonylContact O-C 3.52Å; I70-N90 WeakPolarHBondContact O-CA 3.26Å; P71-N90 WeakPolarHBondContact CA-OD1 2.95Å; D87-N90 PolarHBondContact N-O 2.51Å; D87-N90 PolarHBondContact O-N 2.04Å; G88-N90 VanDerWaalsContact C-N 3.29Å
91	I	63.9	Low	54.9	Low	19 Å²	19	82.8 Å²	82.8	10%	0.097	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.7	164.6	-62.4	174.2	0	0	0	107	C69 I70 K72 Y75 F93	C69-I91 CarbonylContact C-O 3.47Å; C69-I91 WeakPolarHBondContact CA-O 3.38Å; I70-I91 PolarHBondContact N-O 3.47Å; I70-I91 PolarHBondContact O-N 3.35Å; K72-I91 HydrophobicContact CB-CD1 4.4Å; K72-I91 HydrophobicContact CB-CG1 4.32Å; K72-I91 HydrophobicContact CG-CD1 4.16Å; K72-I91 HydrophobicContact CG-CG1 4.45Å; Y75-I91 HydrophobicContact CD1-CD1 3.5Å; Y75-I91 VanDerWaalsContact CD1-CD1 3.5Å; Y75-I91 HydrophobicContact CE1-CD1 4.22Å; Y75-I91 HydrophobicContact CG-CD1 4.22Å; I91-F93 HydrophobicContact CB-CZ 4.41Å; I91-F93 HydrophobicContact CG2-CE1 3.84Å; I91-F93 HydrophobicContact CG2-CE2 3.84Å; I91-F93 HydrophobicContact CG2-CZ 3.43Å; I91-F93 VanDerWaalsContact CG2-CZ 3.43Å
92	C	62.2	Low	54.6	Low	1 Å²	1	82.6 Å²	82.6	1%	0.007	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.6	176.8	-63.7	0	0	0	0	110.5	R67 W68 C69 R84 S85	R67-C92 PolarHBondContact NH2-SG 3.4Å; W68-C92 CarbonylContact O-C 3.56Å; W68-C92 WeakPolarHBondContact O-CA 3.25Å; C69-C92 HydrophobicContact CB-CB 4.08Å; C69-C92 WeakPolarHBondContact CB-SG 3.45Å; C69-C92 WeakPolarHBondContact SG-CB 3.04Å; C69-C92 CovalentContact SG-SG 2.04Å; C69-C92 PolarHBondContact SG-SG 3.3Å; R84-C92 WeakPolarHBondContact CA-O 3.41Å; S85-C92 PolarHBondContact N-O 2.71Å; S85-C92 PolarHBondContact O-N 3.11Å; S85-C92 WeakPolarHBondContact OG-CB 3.35Å
93	F	63.3	Low	53.6	Low	6 Å²	6	88.8 Å²	88.8	3%	0.026	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.8	175.1	-55.5	-79.8	0	0	0	108	R67 W68 I70 Y75 A80 F82 S83 I91	R67-F93 CarbonylContact C-O 3.37Å; R67-F93 VanDerWaalsContact CA-O 3.3Å; R67-F93 WeakPolarHBondContact CA-O 3.49Å; W68-F93 AromaticContact CD1-CD2 3.69Å; W68-F93 HydrophobicContact CD2-CB 4.14Å; W68-F93 HydrophobicContact CG-CB 4.44Å; W68-F93 HydrophobicContact CZ2-CB 3.81Å; W68-F93 PolarHBondContact N-O 2.98Å; W68-F93 AromaticContact NE1-CD2 3.42Å; W68-F93 AromaticContact NE1-CG 3.73Å; W68-F93 PolarHBondContact O-N 3.49Å; I70-F93 HydrophobicContact CD1-CE2 3.69Å; I70-F93 HydrophobicContact CD1-CZ 4.28Å; I70-F93 HydrophobicContact CG1-CE2 3.9Å; Y75-F93 HydrophobicContact CD1-CZ 4.43Å; Y75-F93 HydrophobicContact CD2-CZ 4.07Å; Y75-F93 HydrophobicContact CE1-CE1 4.48Å; Y75-F93 AromaticContact CE1-CZ 3.99Å; Y75-F93 HydrophobicContact CE1-CZ 3.99Å; Y75-F93 HydrophobicContact CE2-CE1 4.36Å; Y75-F93 HydrophobicContact CE2-CE2 4.4Å; Y75-F93 AromaticContact CE2-CZ 3.61Å; Y75-F93 HydrophobicContact CE2-CZ 3.61Å; Y75-F93 HydrophobicContact CG-CZ 4.44Å; Y75-F93 AromaticContact CZ-CE1 3.99Å; Y75-F93 AromaticContact CZ-CZ 3.57Å; A80-F93 HydrophobicContact CB-CD1 3.73Å; A80-F93 HydrophobicContact CB-CE1 3.3Å; A80-F93 HydrophobicContact CB-CZ 4.29Å; F82-F93 HydrophobicContact CB-CB 3.81Å; F82-F93 HydrophobicContact CB-CD1 4.04Å; F82-F93 HydrophobicContact CB-CG 4.36Å; F82-F93 HydrophobicContact CD2-CB 4.49Å; F82-F93 HydrophobicContact CG-CB 4.29Å; S83-F93 WeakPolarHBondContact O-CA 3.4Å; I91-F93 HydrophobicContact CB-CZ 4.41Å; I91-F93 HydrophobicContact CG2-CE1 3.84Å; I91-F93 HydrophobicContact CG2-CE2 3.84Å; I91-F93 HydrophobicContact CG2-CZ 3.43Å; I91-F93 VanDerWaalsContact CG2-CZ 3.43Å
94	S	55.6	Low	52.3	Low	32 Å²	32	93.7 Å²	93.7	22%	0.224	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.1	171.8	25.8	0	0	0	0	109.1	S83	S83-S94 PolarHBondContact N-O 2.86Å; S83-S94 PolarHBondContact O-N 2.95Å; S83-S94 PolarHBondContact O-OG 3.34Å; S83-S94 WeakPolarHBondContact OG-CB 3.49Å; S83-S94 PolarHBondContact OG-O 2.79Å; S83-S94 PolarHBondContact OG-OG 3.49Å
95	D	49.1	Very low	50.7	Low	45 Å²	45	94.4 Å²	94.4	24%	0.241	46%	0.464	C	S	.	.			trans	-75.4	132.6	161.4	92.7	58	0	0	0	108.7	G65 S66 W68 F82	G65-D95 WeakPolarHBondContact CA-O 3.41Å; G65-D95 VanDerWaalsContact CA-OD1 3.29Å; G65-D95 WeakPolarHBondContact CA-OD1 3.33Å; S66-D95 WeakPolarHBondContact CB-OD2 3.34Å; S66-D95 PolarHBondContact N-OD2 2.88Å; S66-D95 PolarHBondContact O-N 3.36Å; S66-D95 PolarHBondContact OG-OD2 2.9Å; W68-D95 HydrophobicContact CH2-CB 4.49Å; W68-D95 HydrophobicContact CZ3-CB 4.38Å; F82-D95 HydrophobicContact CD1-CB 4.34Å
96	T	44.6	Very low	49	Very low	35 Å²	35	98.2 Å²	98.2	22%	0.215	48%	0.481	C	S	.	.			trans	-111.3	157.3	176	68.7	0	0	0	0	110.5	Y98 N102	T96-Y98 PolarHBondContact O-N 2.98Å; T96-N102 PolarHBondContact O-ND2 3.49Å
97	N	40.3	Very low	47.1	Very low	149 Å²	149	97.1 Å²	97.1	80%	0.797	49%	0.488	S	S	*	.	S	Bend	trans	-73	-14.7	-174.4	-24.8	0.4	0	0	0	111.8	L99	N97-L99 PolarHBondContact O-N 2.97Å
98	Y	44.3	Very low	45.4	Very low	174 Å²	174	101.8 Å²	101.8	68%	0.682	50%	0.499	S	S	*	.			trans	-83.3	92.9	177.3	-77.2	-82.7	0	0	0	110.1	T96 R100 E101	T96-Y98 PolarHBondContact O-N 2.98Å; Y98-R100 PolarHBondContact O-N 3.29Å; Y98-E101 WeakPolarHBondContact O-CB 3.08Å; Y98-E101 PolarHBondContact O-N 2.89Å
99	L	38.9	Very low	43.4	Very low	120 Å²	120	101.5 Å²	101.5	63%	0.628	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-25.1	178.2	-81.3	161.3	0	0	0	114.7	N97 E101 N102	N97-L99 PolarHBondContact O-N 2.97Å; L99-E101 PolarHBondContact O-N 2.81Å; L99-N102 PolarHBondContact O-N 2.93Å
100	R	41.1	Very low	41.8	Very low	225 Å²	225	100.2 Å²	100.2	85%	0.849	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.8	175.6	-69.8	-167.8	-160.9	-140.4	5.1	113.7	Y98 Y103	Y98-R100 PolarHBondContact O-N 3.29Å; R100-Y103 WeakPolarHBondContact O-CE1 3.12Å; R100-Y103 VanDerWaalsContact O-CZ 3.28Å; R100-Y103 PolarHBondContact O-OH 2.77Å
101	E	43	Very low	40.2	Very low	119 Å²	119	100.4 Å²	100.4	56%	0.556	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-12.5	177.8	-59.7	-175.1	163.8	0	0	112.6	Y98 L99	Y98-E101 WeakPolarHBondContact O-CB 3.08Å; Y98-E101 PolarHBondContact O-N 2.89Å; L99-E101 PolarHBondContact O-N 2.81Å
102	N	39.6	Very low	38.5	Very low	28 Å²	28	107.1 Å²	107.1	15%	0.15	55%	0.549	C	S	.	.			trans	-103.3	88.7	176.5	-60.4	-46.6	0	0	0	109.9	T96 L99 L104	T96-N102 PolarHBondContact O-ND2 3.49Å; L99-N102 PolarHBondContact O-N 2.93Å; N102-L104 VanDerWaalsContact C-N 3.28Å; N102-L104 PolarHBondContact O-N 2.84Å
103	Y	34.8	Very low	36.9	Very low	175 Å²	175	110.6 Å²	110.6	69%	0.686	57%	0.572	S	S	*	*			trans	-77.6	82.1	175.8	-50.8	-76.8	0	0	0	110.2	A81 R100	A81-Y103 VanDerWaalsContact CB-O 3.27Å; A81-Y103 WeakPolarHBondContact CB-O 3.47Å; R100-Y103 WeakPolarHBondContact O-CE1 3.12Å; R100-Y103 VanDerWaalsContact O-CZ 3.28Å; R100-Y103 PolarHBondContact O-OH 2.77Å
104	L	27.8	Very low	35.5	Very low	146 Å²	146	119 Å²	119	76%	0.764	60%	0.604	S	S	*	*	S	Bend	trans	122	119.4	167.6	-70.3	151.1	0	0	0	113.3	N102 L106	N102-L104 VanDerWaalsContact C-N 3.28Å; N102-L104 PolarHBondContact O-N 2.84Å; L104-L106 PolarHBondContact O-N 2.85Å
105	Q	28.5	Very low	34.2	Very low	166 Å²	166	123.6 Å²	123.6	78%	0.776	62%	0.623	S	S	*	*			trans	-71.1	120.4	174	-66.3	-172.7	-12.3	0	0	110.3
106	L	29.3	Very low	33.6	Very low	122 Å²	122	122.7 Å²	122.7	64%	0.639	62%	0.618	S	S	*	*			trans	-68.7	128.8	158.6	-81.2	170.1	0	0	0	108.2	F82 L104 R108	F82-L106 HydrophobicContact CE1-CD1 4.42Å; F82-L106 HydrophobicContact CE2-CD1 3.95Å; F82-L106 HydrophobicContact CZ-CD1 3.41Å; F82-L106 VanDerWaalsContact CZ-CD1 3.41Å; F82-L106 HydrophobicContact CZ-CG 4Å; L104-L106 PolarHBondContact O-N 2.85Å; L106-R108 PolarHBondContact O-N 3.29Å
107	S	27	Very low	33.1	Very low	118 Å²	118	122 Å²	122	83%	0.825	62%	0.615	S	S	*	*			trans	-54.3	113.7	170.3	176.1	0	0	0	0	109.3	G109	S107-G109 PolarHBondContact O-N 2.92Å
108	R	27.4	Very low	32.9	Very low	193 Å²	193	116.9 Å²	116.9	73%	0.728	59%	0.587	S	S	*	*			trans	-65.4	94.5	176.4	-70.7	177.5	174	-165.1	-5.7	108.9	S62 L106	S62-R108 PolarHBondContact OG-NH1 2.94Å; L106-R108 PolarHBondContact O-N 3.29Å
109	G	27.5	Very low	32.4	Very low	50 Å²	50	111.2 Å²	111.2	52%	0.515	57%	0.573	S	S	.	*			trans	-96.6	87.8	170.4	0	0	0	0	0	111	S107 G111	S107-G109 PolarHBondContact O-N 2.92Å; G109-G111 VanDerWaalsContact C-N 3.27Å; G109-G111 PolarHBondContact O-N 2.81Å
110	S	29.8	Very low	32	Very low	130 Å²	130	112.1 Å²	112.1	91%	0.909	58%	0.577	S	S	*	*	S	Bend	trans	-63.4	91.7	157.4	51.9	0	0	0	0	108.3
111	G	25.9	Very low	31.6	Very low	55 Å²	55	104.2 Å²	104.2	57%	0.567	55%	0.553	S	S	*	*			trans	125.9	93.7	-178.6	0	0	0	0	0	112	G109	G109-G111 VanDerWaalsContact C-N 3.27Å; G109-G111 PolarHBondContact O-N 2.81Å
112	Q	28.4	Very low	31.2	Very low	161 Å²	161	103.3 Å²	103.3	75%	0.752	55%	0.552	S	S	*	*			trans	-127.8	137.7	161.5	-76.9	-175.6	-29.7	0	0	109.1
113	P	29.4	Very low	31.1	Very low	74 Å²	74	108.3 Å²	108.3	48%	0.481	58%	0.578	S	S	.	*			trans	-72.3	135.9	-174.4	27.8	-30.6	0	0	0	110.6	M115 Q185	P113-M115 PolarHBondContact O-N 2.88Å; P113-Q185 HydrophobicContact CB-CB 3.97Å; P113-Q185 HydrophobicContact CB-CG 3.97Å; P113-Q185 HydrophobicContact CG-CG 4.11Å
114	W	33.1	Very low	31.5	Very low	182 Å²	182	104.7 Å²	104.7	69%	0.689	57%	0.571	S	S	*	*			trans	-73	108.7	-177.1	-63.6	49	0	0	0	107.4	N116	W114-N116 PolarHBondContact O-N 2.78Å
115	M	28.6	Very low	32.5	Very low	129 Å²	129	98.6 Å²	98.6	64%	0.635	54%	0.54	S	S	*	.			trans	-51.1	123.7	144.4	-122.7	177.1	-79.8	0	0	105.1	P113 S117	P113-M115 PolarHBondContact O-N 2.88Å; M115-S117 PolarHBondContact O-N 2.91Å
116	N	36.2	Very low	33.7	Very low	26 Å²	26	92.9 Å²	92.9	14%	0.139	52%	0.515	C	S	.	.	S	Bend	trans	-38.7	118.8	178.5	-63.6	-36.1	0	0	0	108.8	W114 I118 Y192	W114-N116 PolarHBondContact O-N 2.78Å; N116-I118 PolarHBondContact O-N 2.81Å; N116-Y192 WeakPolarHBondContact ND2-CD1 3.43Å; N116-Y192 WeakPolarHBondContact ND2-CE1 3.45Å
117	S	35	Very low	35.1	Very low	20 Å²	20	92.3 Å²	92.3	14%	0.14	51%	0.513	C	S	.	.			trans	-52	92.2	-165.1	47.6	0	0	0	0	112.3	M115 S119 T147 D157	M115-S117 PolarHBondContact O-N 2.91Å; S117-S119 PolarHBondContact O-N 2.84Å; S117-S119 VanDerWaalsContact O-N 3.1Å; S117-T147 PolarHBondContact O-OG1 3.41Å; S117-D157 WeakPolarHBondContact CB-OD2 3.49Å; S117-D157 PolarHBondContact OG-OD1 2.78Å; S117-D157 VanDerWaalsContact OG-OD1 3.06Å; S117-D157 PolarHBondContact OG-OD2 2.88Å
118	I	35.1	Very low	36.8	Very low	41 Å²	41	89.8 Å²	89.8	21%	0.21	49%	0.49	C	S	.	.			trans	-68.5	105.8	155.5	-64.4	162.8	0	0	0	104.1	N116 I120 Y138 I142	N116-I118 PolarHBondContact O-N 2.81Å; I118-I120 VanDerWaalsContact O-CG1 3.29Å; I118-I120 WeakPolarHBondContact O-CG1 3.49Å; I118-I120 PolarHBondContact O-N 3.38Å; I118-Y138 HydrophobicContact CD1-CD1 4.09Å; I118-Y138 HydrophobicContact CD1-CD2 3.77Å; I118-Y138 HydrophobicContact CD1-CE2 4.43Å; I118-Y138 HydrophobicContact CD1-CG 3.56Å; I118-I142 HydrophobicContact CG2-CG2 3.96Å
119	S	33.5	Very low	39	Very low	55 Å²	55	80.6 Å²	80.6	39%	0.385	46%	0.455	S	S	.	.			trans	-55.9	116.8	171	-52.2	0	0	0	0	108.1	S117	S117-S119 PolarHBondContact O-N 2.84Å; S117-S119 VanDerWaalsContact O-N 3.1Å
120	I	31.5	Very low	40.9	Very low	140 Å²	140	80.6 Å²	80.6	72%	0.718	45%	0.45	S	S	*	.			trans	-76.5	128.7	-166.8	-58.5	176.1	0	0	0	109	I118	I118-I120 VanDerWaalsContact O-CG1 3.29Å; I118-I120 WeakPolarHBondContact O-CG1 3.49Å; I118-I120 PolarHBondContact O-N 3.38Å
121	T	32.2	Very low	42.9	Very low	58 Å²	58	80 Å²	80	36%	0.356	43%	0.433	S	S	.	.			trans	50.2	104.6	153.4	64.3	0	0	0	0	118.9	P71 L74	P71-T121 HydrophobicContact CG-CG2 3.77Å; L74-T121 HydrophobicContact CD1-CG2 4.37Å
122	N	34.7	Very low	45.6	Very low	100 Å²	100	80.6 Å²	80.6	54%	0.535	42%	0.423	S	S	.	.				-168.3	173.6	118.6	-141.6	-27.1	0	0	0	110.3	N124 S125	N122-N124 HydrophobicContact CB-CB 4.29Å; N122-N124 PolarHBondContact O-N 2.89Å; N122-S125 VanDerWaalsContact O-CB 3.24Å; N122-S125 WeakPolarHBondContact O-CB 3.37Å; N122-S125 PolarHBondContact O-N 3.02Å; N122-S125 PolarHBondContact O-OG 2.91Å
123	L	37.1	Very low	48.3	Very low	133 Å²	133	74.9 Å²	74.9	70%	0.696	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-14.6	165.9	-91.2	136.3	0	0	0	113.6	S125	L123-S125 PolarHBondContact O-N 3.28Å
124	N	42.8	Very low	51.1	Low	100 Å²	100	71.5 Å²	71.5	54%	0.535	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-9.5	165.7	-69.1	-11.7	0	0	0	114.2	N122 I126 N127 D128	N122-N124 HydrophobicContact CB-CB 4.29Å; N122-N124 PolarHBondContact O-N 2.89Å; N124-I126 PolarHBondContact O-N 2.82Å; N124-N127 WeakPolarHBondContact O-CA 3.48Å; N124-N127 VanDerWaalsContact O-CB 3.29Å; N124-N127 WeakPolarHBondContact O-CB 3.18Å; N124-N127 PolarHBondContact O-N 2.84Å; N124-D128 PolarHBondContact O-N 3.15Å; N124-D128 VanDerWaalsContact O-N 3.08Å
125	S	49.2	Very low	53.6	Low	17 Å²	17	63 Å²	63	12%	0.119	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-26.3	176	45.4	0	0	0	0	113.6	N122 L123 N127 C129 L143	N122-S125 VanDerWaalsContact O-CB 3.24Å; N122-S125 WeakPolarHBondContact O-CB 3.37Å; N122-S125 PolarHBondContact O-N 3.02Å; N122-S125 PolarHBondContact O-OG 2.91Å; L123-S125 PolarHBondContact O-N 3.28Å; S125-N127 VanDerWaalsContact C-N 3.31Å; S125-C129 WeakPolarHBondContact O-CB 3.36Å; S125-C129 PolarHBondContact O-N 3.41Å; S125-L143 WeakPolarHBondContact CB-O 2.97Å
126	I	54.1	Low	56.3	Low	46 Å²	46	57 Å²	57	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-65.3	-38.1	170.8	-60	177.1	0	0	0	110.3	N124 C129 A130 L143 I203 F207	N124-I126 PolarHBondContact O-N 2.82Å; I126-C129 CarbonylContact O-C 3.54Å; I126-C129 PolarHBondContact O-N 2.97Å; I126-A130 PolarHBondContact O-N 2.85Å; I126-L143 HydrophobicContact CG1-CD2 4.32Å; I126-I203 HydrophobicContact CG2-CD1 4.49Å; I126-I203 HydrophobicContact CG2-CG2 3.81Å; I126-F207 HydrophobicContact CD1-CZ 4.26Å; I126-F207 HydrophobicContact CG2-CZ 4.34Å
127	N	58.6	Low	58.2	Low	111 Å²	111	55.9 Å²	55.9	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-71.8	-39.5	177.4	-65.1	-17.7	0	0	0	112	N124 S125 C129 A130	N124-N127 WeakPolarHBondContact O-CA 3.48Å; N124-N127 VanDerWaalsContact O-CB 3.29Å; N124-N127 WeakPolarHBondContact O-CB 3.18Å; N124-N127 PolarHBondContact O-N 2.84Å; S125-N127 VanDerWaalsContact C-N 3.31Å; N127-C129 PolarHBondContact O-N 3.45Å; N127-C129 VanDerWaalsContact O-N 3.16Å; N127-A130 WeakPolarHBondContact O-CB 3.2Å; N127-A130 PolarHBondContact O-N 3.32Å
128	D	63.7	Low	60	Low	64 Å²	64	56.8 Å²	56.8	34%	0.342	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-29.6	174.2	-77.4	-21.1	0	0	0	111.5	N124 R145	N124-D128 PolarHBondContact O-N 3.15Å; N124-D128 VanDerWaalsContact O-N 3.08Å; D128-R145 HydrophobicContact CB-CG 4.29Å; D128-R145 WeakPolarHBondContact O-CD 3.43Å; D128-R145 WeakPolarHBondContact O-CG 3.32Å
129	C	72.6	Confident	61.6	Low	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	7.8	177.5	-76.3	0	0	0	0	114.6	S125 I126 N127 C135 I203	S125-C129 WeakPolarHBondContact O-CB 3.36Å; S125-C129 PolarHBondContact O-N 3.41Å; I126-C129 CarbonylContact O-C 3.54Å; I126-C129 PolarHBondContact O-N 2.97Å; N127-C129 PolarHBondContact O-N 3.45Å; N127-C129 VanDerWaalsContact O-N 3.16Å; C129-C135 WeakPolarHBondContact CA-SG 3.11Å; C129-C135 HydrophobicContact CB-CB 3.96Å; C129-C135 WeakPolarHBondContact CB-SG 3.06Å; C129-C135 WeakPolarHBondContact SG-CB 3.45Å; C129-C135 CovalentContact SG-SG 2.01Å; C129-C135 PolarHBondContact SG-SG 3.15Å; C129-I203 HydrophobicContact CB-CB 4.29Å; C129-I203 HydrophobicContact CB-CD1 3.19Å; C129-I203 HydrophobicContact CB-CG1 3.72Å
130	A	67.2	Low	63.3	Low	50 Å²	50	62.3 Å²	62.3	41%	0.413	32%	0.322	S	S	.	.			trans	-73.2	-32.7	-173.9	0	0	0	0	0	113.8	I126 N127 D132	I126-A130 PolarHBondContact O-N 2.85Å; N127-A130 WeakPolarHBondContact O-CB 3.2Å; N127-A130 PolarHBondContact O-N 3.32Å; A130-D132 VanDerWaalsContact C-N 3.31Å; A130-D132 PolarHBondContact O-N 2.89Å; A130-D132 VanDerWaalsContact O-N 3.16Å
131	E	71.7	Confident	64.7	Low	117 Å²	117	62.7 Å²	62.7	55%	0.547	32%	0.319	S	S	.	.	S	Bend	trans	-90	48.3	-174.4	-58	-168.3	178.2	0	0	114.4	Y133 K161	E131-Y133 HydrophobicContact CB-CD2 3.91Å; E131-Y133 HydrophobicContact CB-CE2 3.63Å; E131-Y133 HydrophobicContact CG-CE2 4.31Å; E131-Y133 PolarHBondContact O-N 3.1Å; E131-K161 IonicContact OE2-NZ 3.7Å
132	D	82.6	Confident	66.4	Low	69 Å²	69	62.1 Å²	62.1	37%	0.369	31%	0.313	S	S	.	.	S	Bend	trans	52.7	23	177.5	-61.3	-25.6	0	0	0	115.1	A130 F162 P202 S204	A130-D132 VanDerWaalsContact C-N 3.31Å; A130-D132 PolarHBondContact O-N 2.89Å; A130-D132 VanDerWaalsContact O-N 3.16Å; D132-F162 WeakPolarHBondContact O-CB 3.24Å; D132-F162 PolarHBondContact O-N 2.79Å; D132-P202 HydrophobicContact CB-CB 4.35Å; D132-P202 HydrophobicContact CB-CG 4.37Å; D132-P202 WeakPolarHBondContact OD1-CB 3.06Å; D132-S204 PolarHBondContact OD1-OG 2.82Å
133	Y	85.9	Confident	68.3	Low	40 Å²	40	57.8 Å²	57.8	16%	0.157	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-64.6	149.4	172.8	-69.5	-66.4	0	0	0	110.8	E131 C135 R145 S159 K161	E131-Y133 HydrophobicContact CB-CD2 3.91Å; E131-Y133 HydrophobicContact CB-CE2 3.63Å; E131-Y133 HydrophobicContact CG-CE2 4.31Å; E131-Y133 PolarHBondContact O-N 3.1Å; Y133-C135 PolarHBondContact O-N 3.01Å; Y133-R145 VanDerWaalsContact CD2-CD 3.5Å; Y133-R145 HydrophobicContact CD2-CG 4.27Å; Y133-R145 HydrophobicContact CG-CG 4.25Å; Y133-S159 WeakPolarHBondContact CE1-O 3.38Å; Y133-K161 HydrophobicContact CD1-CG 3.72Å; Y133-K161 HydrophobicContact CE1-CD 4.3Å; Y133-K161 VanDerWaalsContact CE1-CE 3.45Å; Y133-K161 HydrophobicContact CE1-CG 3.82Å
134	L	87.6	Confident	70.2	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.016	26%	0.258	C	S	.	.			trans	-61.8	122.5	162.8	-78.1	-179.5	0	0	0	108.1	F146 P160 F162 I266 I273 V296 F298	L134-F146 HydrophobicContact CB-CB 3.91Å; L134-F146 HydrophobicContact CB-CD1 4.25Å; L134-F146 HydrophobicContact CD1-CD1 4.04Å; L134-F146 VanDerWaalsContact O-CB 3.3Å; L134-F146 WeakPolarHBondContact O-CB 3.39Å; L134-F146 PolarHBondContact O-N 3.32Å; L134-P160 HydrophobicContact CD1-CB 4.08Å; L134-P160 PolarHBondContact N-O 3.18Å; L134-F162 HydrophobicContact CD2-CD2 4.15Å; L134-I266 HydrophobicContact CD1-CD1 3.52Å; L134-I266 HydrophobicContact CD2-CD1 4.24Å; L134-I273 HydrophobicContact CD2-CD1 3.97Å; L134-V296 HydrophobicContact CD1-CG1 4.04Å; L134-F298 HydrophobicContact CD1-CZ 3.89Å; L134-F298 HydrophobicContact CD2-CE1 4.15Å; L134-F298 HydrophobicContact CD2-CZ 3.84Å; L134-F298 HydrophobicContact CG-CZ 4.03Å
135	C	85.9	Confident	72	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.3	-179.7	-76.6	0	0	0	0	110.6	C129 Y133 L143 G144 F198 L199	C129-C135 WeakPolarHBondContact CA-SG 3.11Å; C129-C135 HydrophobicContact CB-CB 3.96Å; C129-C135 WeakPolarHBondContact CB-SG 3.06Å; C129-C135 WeakPolarHBondContact SG-CB 3.45Å; C129-C135 CovalentContact SG-SG 2.01Å; C129-C135 PolarHBondContact SG-SG 3.15Å; Y133-C135 PolarHBondContact O-N 3.01Å; C135-L143 HydrophobicContact CB-CD1 4.39Å; C135-G144 WeakPolarHBondContact CA-O 3.34Å; C135-F198 CarbonylContact O-C 3.58Å; C135-F198 WeakPolarHBondContact O-CA 3.32Å; C135-L199 HydrophobicContact CB-CD1 3.76Å; C135-L199 HydrophobicContact CB-CG 4.16Å; C135-L199 PolarHBondContact O-N 3.26Å
136	L	84.8	Confident	73.8	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.7	-176.6	64.5	81.9	0	0	0	111.9	L143 G144 F146 L196 K197 F198	L136-L143 WeakPolarHBondContact O-CA 3.46Å; L136-G144 PolarHBondContact N-O 3.35Å; L136-G144 PolarHBondContact O-N 3.49Å; L136-F146 HydrophobicContact CD2-CB 3.96Å; L136-F146 HydrophobicContact CD2-CD2 3.57Å; L136-F146 HydrophobicContact CD2-CE2 4.48Å; L136-F146 HydrophobicContact CD2-CG 4.13Å; L136-L196 HydrophobicContact CD1-CD2 3.86Å; L136-L196 HydrophobicContact CD2-CB 4.47Å; L136-L196 HydrophobicContact CD2-CD1 4.49Å; L136-L196 HydrophobicContact CD2-CD2 3.95Å; L136-K197 CarbonylContact C-O 3.59Å; L136-K197 WeakPolarHBondContact CA-O 3.41Å; L136-K197 VanDerWaalsContact CB-O 3.26Å; L136-K197 WeakPolarHBondContact CB-O 3.4Å; L136-F198 HydrophobicContact CB-CD1 4.17Å; L136-F198 HydrophobicContact CB-CE1 4.47Å; L136-F198 HydrophobicContact CB-CG 4.23Å; L136-F198 HydrophobicContact CD2-CD1 4.36Å; L136-F198 HydrophobicContact CD2-CE1 3.83Å; L136-F198 HydrophobicContact CD2-CE2 4.28Å; L136-F198 HydrophobicContact CD2-CZ 3.78Å
137	F	77.3	Confident	75.3	Confident	1 Å²	1	48.1 Å²	48.1	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.5	161.9	-66.8	-81.3	0	0	0	109.9	I142 L143 G195 K197 L199 L214 I217 M218 T223	F137-I142 CarbonylContact C-O 3.57Å; F137-I142 WeakPolarHBondContact CA-O 3.3Å; F137-L143 HydrophobicContact CD1-CB 4.01Å; F137-L143 HydrophobicContact CD1-CD1 4.42Å; F137-L143 HydrophobicContact CE1-CB 3.68Å; F137-L143 HydrophobicContact CE1-CD1 4.06Å; F137-L143 HydrophobicContact CE1-CG 4.33Å; F137-L143 HydrophobicContact CE2-CD1 4.31Å; F137-L143 HydrophobicContact CZ-CB 4.38Å; F137-L143 HydrophobicContact CZ-CD1 3.99Å; F137-G195 VanDerWaalsContact O-O 3.13Å; F137-K197 HydrophobicContact CB-CB 4.41Å; F137-K197 PolarHBondContact N-O 3.38Å; F137-K197 PolarHBondContact O-N 2.92Å; F137-L199 HydrophobicContact CD2-CD2 4.09Å; F137-L199 HydrophobicContact CE2-CD2 3.46Å; F137-L199 VanDerWaalsContact CE2-CD2 3.46Å; F137-L199 HydrophobicContact CZ-CD2 4.33Å; F137-L214 HydrophobicContact CE1-CD1 3.76Å; F137-L214 HydrophobicContact CE1-CG 4.27Å; F137-L214 HydrophobicContact CZ-CD1 4.16Å; F137-I217 HydrophobicContact CE2-CB 4.36Å; F137-I217 HydrophobicContact CE2-CG2 3.8Å; F137-I217 HydrophobicContact CZ-CB 3.87Å; F137-I217 HydrophobicContact CZ-CG2 3.64Å; F137-M218 HydrophobicContact CD1-CG 3.61Å; F137-M218 HydrophobicContact CD1-SD 4Å; F137-M218 HydrophobicContact CD2-CG 4.22Å; F137-M218 HydrophobicContact CE1-CG 3.24Å; F137-M218 HydrophobicContact CE1-SD 3.94Å; F137-M218 HydrophobicContact CE2-CG 3.88Å; F137-M218 HydrophobicContact CG-CG 4.08Å; F137-M218 HydrophobicContact CZ-CB 4.41Å; F137-M218 HydrophobicContact CZ-CG 3.41Å; F137-M218 VanDerWaalsContact CZ-CG 3.41Å; F137-T223 HydrophobicContact CD2-CG2 3.62Å; F137-T223 HydrophobicContact CE2-CG2 3.74Å
138	Y	71.8	Confident	76.5	Confident	39 Å²	39	42.9 Å²	42.9	15%	0.153	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.7	166	-178.6	-108	0	0	0	110	I118 N140 K141 I142 D194 G195 L196	I118-Y138 HydrophobicContact CD1-CD1 4.09Å; I118-Y138 HydrophobicContact CD1-CD2 3.77Å; I118-Y138 HydrophobicContact CD1-CE2 4.43Å; I118-Y138 HydrophobicContact CD1-CG 3.56Å; Y138-N140 PolarHBondContact O-N 2.9Å; Y138-N140 VanDerWaalsContact O-N 3.07Å; Y138-K141 PolarHBondContact O-N 3.49Å; Y138-I142 HydrophobicContact CD1-CD1 4.46Å; Y138-I142 PolarHBondContact N-O 2.9Å; Y138-I142 PolarHBondContact O-N 2.83Å; Y138-D194 WeakPolarHBondContact CE2-O 3.36Å; Y138-G195 CarbonylContact C-O 3.59Å; Y138-G195 WeakPolarHBondContact CA-O 3.47Å; Y138-L196 HydrophobicContact CD2-CD2 3.99Å
139	R	69.1	Low	77.4	Confident	133 Å²	133	40 Å²	40	50%	0.502	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	33.2	179.8	-65.5	-175.3	171.2	-173	-1.4	114.1	K141 D194 G195	R139-K141 WeakPolarHBondContact O-CG 3.47Å; R139-K141 PolarHBondContact O-N 3.3Å; R139-D194 IonicContact CZ-OD2 3.96Å; R139-D194 IonicContact NE-OD2 2.78Å; R139-D194 IonicContact NH2-OD2 2.69Å; R139-D194 PolarHBondContact NH2-OD2 3.47Å; R139-G195 PolarHBondContact N-O 3.03Å
140	N	68.4	Low	77.7	Confident	80 Å²	80	40.9 Å²	40.9	43%	0.428	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	24.6	-174.6	-48.5	-43.9	0	0	0	114.4	Y138 K197	Y138-N140 PolarHBondContact O-N 2.9Å; Y138-N140 VanDerWaalsContact O-N 3.07Å; N140-K197 PolarHBondContact ND2-NZ 3.46Å; N140-K197 WeakPolarHBondContact OD1-CD 3.41Å; N140-K197 WeakPolarHBondContact OD1-CE 3.43Å; N140-K197 PolarHBondContact OD1-NZ 3.45Å
141	K	62	Low	78.3	Confident	148 Å²	148	40 Å²	40	64%	0.643	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-36.8	-174.1	-72.5	177.2	-177.2	-171.3	0	112.7	Y138 R139	Y138-K141 PolarHBondContact O-N 3.49Å; R139-K141 WeakPolarHBondContact O-CG 3.47Å; R139-K141 PolarHBondContact O-N 3.3Å
142	I	67.8	Low	78.7	Confident	46 Å²	46	41.4 Å²	41.4	24%	0.236	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.2	-168.7	-54.8	174.4	0	0	0	109	I118 F137 Y138	I118-I142 HydrophobicContact CG2-CG2 3.96Å; F137-I142 CarbonylContact C-O 3.57Å; F137-I142 WeakPolarHBondContact CA-O 3.3Å; Y138-I142 HydrophobicContact CD1-CD1 4.46Å; Y138-I142 PolarHBondContact N-O 2.9Å; Y138-I142 PolarHBondContact O-N 2.83Å
143	L	73.3	Confident	78.4	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.9	168.4	177.7	63.8	0	0	0	109.5	S125 I126 C135 L136 F137 L199 I203 L214	S125-L143 WeakPolarHBondContact CB-O 2.97Å; I126-L143 HydrophobicContact CG1-CD2 4.32Å; C135-L143 HydrophobicContact CB-CD1 4.39Å; L136-L143 WeakPolarHBondContact O-CA 3.46Å; F137-L143 HydrophobicContact CD1-CB 4.01Å; F137-L143 HydrophobicContact CD1-CD1 4.42Å; F137-L143 HydrophobicContact CE1-CB 3.68Å; F137-L143 HydrophobicContact CE1-CD1 4.06Å; F137-L143 HydrophobicContact CE1-CG 4.33Å; F137-L143 HydrophobicContact CE2-CD1 4.31Å; F137-L143 HydrophobicContact CZ-CB 4.38Å; F137-L143 HydrophobicContact CZ-CD1 3.99Å; L143-L199 HydrophobicContact CD1-CD1 4.25Å; L143-I203 HydrophobicContact CD2-CD1 3.91Å; L143-L214 HydrophobicContact CB-CD1 4.13Å; L143-L214 HydrophobicContact CD2-CD1 3.99Å
144	G	77.5	Confident	78.3	Confident	3 Å²	3	38.8 Å²	38.8	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	169.8	172.9	0	0	0	0	0	112.7	C135 L136	C135-G144 WeakPolarHBondContact CA-O 3.34Å; L136-G144 PolarHBondContact N-O 3.35Å; L136-G144 PolarHBondContact O-N 3.49Å
145	R	81.9	Confident	77.6	Confident	69 Å²	69	47.8 Å²	47.8	26%	0.26	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.6	170	-74.5	-173.6	-75.5	-175.3	0.5	110.4	D128 Y133 T147	D128-R145 HydrophobicContact CB-CG 4.29Å; D128-R145 WeakPolarHBondContact O-CD 3.43Å; D128-R145 WeakPolarHBondContact O-CG 3.32Å; Y133-R145 VanDerWaalsContact CD2-CD 3.5Å; Y133-R145 HydrophobicContact CD2-CG 4.27Å; Y133-R145 HydrophobicContact CG-CG 4.25Å; R145-T147 PolarHBondContact O-N 3.44Å
146	F	86.1	Confident	77	Confident	11 Å²	11	51.6 Å²	51.6	5%	0.048	26%	0.257	C	S	.	.			trans	-71.3	125.2	165.3	-179	-127.3	0	0	0	109.3	L134 L136 L148 S159 P160 F198 F264 V296	L134-F146 HydrophobicContact CB-CB 3.91Å; L134-F146 HydrophobicContact CB-CD1 4.25Å; L134-F146 HydrophobicContact CD1-CD1 4.04Å; L134-F146 VanDerWaalsContact O-CB 3.3Å; L134-F146 WeakPolarHBondContact O-CB 3.39Å; L134-F146 PolarHBondContact O-N 3.32Å; L136-F146 HydrophobicContact CD2-CB 3.96Å; L136-F146 HydrophobicContact CD2-CD2 3.57Å; L136-F146 HydrophobicContact CD2-CE2 4.48Å; L136-F146 HydrophobicContact CD2-CG 4.13Å; F146-L148 HydrophobicContact CE1-CD1 4.04Å; F146-L148 HydrophobicContact CE1-CD2 4.06Å; F146-L148 HydrophobicContact CE1-CG 3.94Å; F146-L148 HydrophobicContact CE2-CD2 4.2Å; F146-L148 HydrophobicContact CZ-CD1 4.37Å; F146-L148 HydrophobicContact CZ-CD2 3.56Å; F146-L148 HydrophobicContact CZ-CG 3.94Å; F146-S159 WeakPolarHBondContact O-CA 3.27Å; F146-P160 HydrophobicContact CD1-CG 3.92Å; F146-P160 HydrophobicContact CE1-CG 4.15Å; F146-P160 WeakPolarHBondContact O-CD 3.32Å; F146-F198 HydrophobicContact CB-CE1 3.97Å; F146-F198 AromaticContact CD1-CE1 3.88Å; F146-F198 HydrophobicContact CD1-CE1 3.88Å; F146-F198 HydrophobicContact CD1-CZ 4.43Å; F146-F198 AromaticContact CD2-CE1 3.85Å; F146-F198 HydrophobicContact CD2-CE1 3.85Å; F146-F198 AromaticContact CD2-CZ 3.87Å; F146-F198 HydrophobicContact CD2-CZ 3.87Å; F146-F198 HydrophobicContact CE1-CE1 4.3Å; F146-F198 HydrophobicContact CE1-CZ 4.48Å; F146-F198 HydrophobicContact CE2-CE1 4.27Å; F146-F198 AromaticContact CE2-CZ 3.94Å; F146-F198 HydrophobicContact CE2-CZ 3.94Å; F146-F198 AromaticContact CG-CE1 3.62Å; F146-F198 HydrophobicContact CG-CE1 3.62Å; F146-F198 HydrophobicContact CG-CZ 4.12Å; F146-F198 HydrophobicContact CZ-CE1 4.47Å; F146-F198 HydrophobicContact CZ-CZ 4.24Å; F146-F264 HydrophobicContact CE1-CD2 4.43Å; F146-F264 HydrophobicContact CE1-CE2 4.46Å; F146-F264 HydrophobicContact CE2-CE1 4.39Å; F146-F264 HydrophobicContact CE2-CZ 4.09Å; F146-F264 HydrophobicContact CZ-CD1 4.26Å; F146-F264 HydrophobicContact CZ-CD2 4.01Å; F146-F264 AromaticContact CZ-CE1 3.89Å; F146-F264 HydrophobicContact CZ-CE1 3.89Å; F146-F264 AromaticContact CZ-CE2 3.62Å; F146-F264 HydrophobicContact CZ-CE2 3.62Å; F146-F264 HydrophobicContact CZ-CG 4.33Å; F146-F264 AromaticContact CZ-CZ 3.57Å; F146-F264 HydrophobicContact CZ-CZ 3.57Å; F146-V296 HydrophobicContact CE1-CG2 4.21Å
147	T	84.9	Confident	76.6	Confident	10 Å²	10	54.9 Å²	54.9	6%	0.061	28%	0.275	C	S	.	.			trans	-124.3	142.8	-179	52	0	0	0	0	110.6	S117 R145 D157 F158	S117-T147 PolarHBondContact O-OG1 3.41Å; R145-T147 PolarHBondContact O-N 3.44Å; T147-D157 HydrophobicContact CG2-CB 4.39Å; T147-F158 CarbonylContact C-O 3.58Å; T147-F158 VanDerWaalsContact CA-O 3.3Å; T147-F158 WeakPolarHBondContact CA-O 3.48Å
148	L	85.4	Confident	76.8	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.2	176.1	-68.8	173.4	0	0	0	109.4	F146 F158 P160 F264 H294 V296	F146-L148 HydrophobicContact CE1-CD1 4.04Å; F146-L148 HydrophobicContact CE1-CD2 4.06Å; F146-L148 HydrophobicContact CE1-CG 3.94Å; F146-L148 HydrophobicContact CE2-CD2 4.2Å; F146-L148 HydrophobicContact CZ-CD1 4.37Å; F146-L148 HydrophobicContact CZ-CD2 3.56Å; F146-L148 HydrophobicContact CZ-CG 3.94Å; L148-F158 PolarHBondContact N-O 2.78Å; L148-F158 PolarHBondContact O-N 2.88Å; L148-P160 HydrophobicContact CD1-CG 3.83Å; L148-P160 HydrophobicContact CG-CG 4.37Å; L148-F264 HydrophobicContact CD2-CE2 4.06Å; L148-H294 HydrophobicContact CB-CB 4.35Å; L148-H294 HydrophobicContact CD1-CB 3.96Å; L148-H294 HydrophobicContact CD2-CB 4.2Å; L148-H294 HydrophobicContact CG-CB 4.41Å; L148-V296 HydrophobicContact CD1-CG2 3.62Å
149	P	82.6	Confident	77.6	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.032	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	145	177.2	26.9	-31.3	0	0	0	110.8	C154 V156	P149-C154 HydrophobicContact CB-CB 3.92Å; P149-V156 CarbonylContact C-O 3.53Å
150	S	78.4	Confident	78.4	Confident	17 Å²	17	50.4 Å²	50.4	12%	0.119	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	165.1	-177.6	70.6	0	0	0	0	111.1	V156	S150-V156 WeakPolarHBondContact CA-O 3.45Å; S150-V156 PolarHBondContact N-O 3.18Å; S150-V156 WeakPolarHBondContact O-CB 3.24Å; S150-V156 PolarHBondContact O-N 3.25Å; S150-V156 WeakPolarHBondContact OG-CB 3.26Å; S150-V156 WeakPolarHBondContact OG-CG1 3.33Å; S150-V156 PolarHBondContact OG-O 2.78Å
151	G	79.8	Confident	79.3	Confident	31 Å²	31	50.1 Å²	50.1	32%	0.32	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72	-169.3	175.4	0	0	0	0	0	114.6	C154 K169 C170 T171	G151-C154 PolarHBondContact O-N 3.18Å; G151-K169 PolarHBondContact N-O 2.9Å; G151-C170 VanDerWaalsContact O-CA 3.23Å; G151-C170 WeakPolarHBondContact O-CA 3.49Å; G151-T171 PolarHBondContact O-N 2.92Å
152	L	79.4	Confident	80.4	Confident	148 Å²	148	44.9 Å²	44.9	78%	0.775	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.9	-176.9	-74.7	163.3	0	0	0	111.3	C154	L152-C154 PolarHBondContact O-N 2.75Å
153	G	77	Confident	81.2	Confident	36 Å²	36	46.8 Å²	46.8	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	7.9	-178	0	0	0	0	0	113.9	R155 T171	G153-R155 PolarHBondContact O-N 3.06Å; G153-T171 VanDerWaalsContact CA-O 3.25Å; G153-T171 WeakPolarHBondContact CA-O 3.28Å; G153-T171 PolarHBondContact N-O 2.57Å
154	C	82.6	Confident	81.8	Confident	17 Å²	17	49.9 Å²	49.9	12%	0.115	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	37.7	179.4	-51.8	0	0	0	0	112.6	P149 G151 L152 C170 R172	P149-C154 HydrophobicContact CB-CB 3.92Å; G151-C154 PolarHBondContact O-N 3.18Å; L152-C154 PolarHBondContact O-N 2.75Å; C154-C170 HydrophobicContact CB-CB 3.79Å; C154-C170 WeakPolarHBondContact CB-SG 3.25Å; C154-C170 WeakPolarHBondContact SG-CB 3.28Å; C154-C170 CovalentContact SG-SG 2.04Å; C154-C170 PolarHBondContact SG-SG 3.39Å; C154-R172 WeakPolarHBondContact SG-CD 3.35Å; C154-R172 PolarHBondContact SG-NE 2.7Å
155	R	73.2	Confident	82.4	Confident	193 Å²	193	54 Å²	54	73%	0.728	28%	0.283	S	S	*	.			trans	-97.2	-6.8	-179.4	-59.7	-165.9	-175.3	-75.6	-0.2	114.1	G153	G153-R155 PolarHBondContact O-N 3.06Å
156	V	73.9	Confident	82.8	Confident	83 Å²	83	52.8 Å²	52.8	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.8	179.2	-177.3	0	0	0	0	108.2	P149 S150	P149-V156 CarbonylContact C-O 3.53Å; S150-V156 WeakPolarHBondContact CA-O 3.45Å; S150-V156 PolarHBondContact N-O 3.18Å; S150-V156 WeakPolarHBondContact O-CB 3.24Å; S150-V156 PolarHBondContact O-N 3.25Å; S150-V156 WeakPolarHBondContact OG-CB 3.26Å; S150-V156 WeakPolarHBondContact OG-CG1 3.33Å; S150-V156 PolarHBondContact OG-O 2.78Å
157	D	76.9	Confident	83.2	Confident	73 Å²	73	56 Å²	56	39%	0.39	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.6	177.9	-59.6	-35.2	0	0	0	110.5	S117 T147	S117-D157 WeakPolarHBondContact CB-OD2 3.49Å; S117-D157 PolarHBondContact OG-OD1 2.78Å; S117-D157 VanDerWaalsContact OG-OD1 3.06Å; S117-D157 PolarHBondContact OG-OD2 2.88Å; T147-D157 HydrophobicContact CG2-CB 4.39Å
158	F	81.4	Confident	83.4	Confident	60 Å²	60	56.1 Å²	56.1	26%	0.263	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.9	174.7	-177.7	-90.9	0	0	0	110	T147 L148 P160 I166 T168	T147-F158 CarbonylContact C-O 3.58Å; T147-F158 VanDerWaalsContact CA-O 3.3Å; T147-F158 WeakPolarHBondContact CA-O 3.48Å; L148-F158 PolarHBondContact N-O 2.78Å; L148-F158 PolarHBondContact O-N 2.88Å; F158-P160 HydrophobicContact CD1-CG 4.11Å; F158-P160 HydrophobicContact CE1-CB 4.28Å; F158-P160 HydrophobicContact CE1-CG 4.11Å; F158-P160 WeakPolarHBondContact O-CD 3.46Å; F158-I166 HydrophobicContact CD1-CD1 4.35Å; F158-I166 HydrophobicContact CE1-CD1 3.47Å; F158-I166 VanDerWaalsContact CE1-CD1 3.47Å; F158-I166 HydrophobicContact CE1-CG2 3.93Å; F158-I166 HydrophobicContact CE2-CD1 3.76Å; F158-I166 HydrophobicContact CZ-CD1 3.13Å; F158-I166 HydrophobicContact CZ-CG1 4.49Å; F158-T168 HydrophobicContact CB-CG2 3.96Å; F158-T168 HydrophobicContact CD1-CG2 3.66Å; F158-T168 HydrophobicContact CD2-CG2 4.24Å; F158-T168 HydrophobicContact CE1-CG2 4.3Å; F158-T168 HydrophobicContact CG-CG2 3.65Å
159	S	87	Confident	83.7	Confident	20 Å²	20	61 Å²	61	14%	0.14	32%	0.324	C	S	.	.			trans	-105.8	106.9	177.4	-62.6	0	0	0	0	111.1	Y133 F146	Y133-S159 WeakPolarHBondContact CE1-O 3.38Å; F146-S159 WeakPolarHBondContact O-CA 3.27Å
160	P	86.2	Confident	84	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.1	142.2	175.7	-18.4	31.8	0	0	0	111.8	L134 F146 L148 F158 V296	L134-P160 HydrophobicContact CD1-CB 4.08Å; L134-P160 PolarHBondContact N-O 3.18Å; F146-P160 HydrophobicContact CD1-CG 3.92Å; F146-P160 HydrophobicContact CE1-CG 4.15Å; F146-P160 WeakPolarHBondContact O-CD 3.32Å; L148-P160 HydrophobicContact CD1-CG 3.83Å; L148-P160 HydrophobicContact CG-CG 4.37Å; F158-P160 HydrophobicContact CD1-CG 4.11Å; F158-P160 HydrophobicContact CE1-CB 4.28Å; F158-P160 HydrophobicContact CE1-CG 4.11Å; F158-P160 WeakPolarHBondContact O-CD 3.46Å; P160-V296 HydrophobicContact CB-CG1 4.48Å; P160-V296 HydrophobicContact CB-CG2 4.15Å; P160-V296 HydrophobicContact CG-CG2 3.84Å
161	K	87.2	Confident	84.5	Confident	74 Å²	74	61 Å²	61	32%	0.322	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-95.2	153.7	173.9	-66.3	-167.9	174.9	-160.7	0	110.9	E131 Y133 N164 F298	E131-K161 IonicContact OE2-NZ 3.7Å; Y133-K161 HydrophobicContact CD1-CG 3.72Å; Y133-K161 HydrophobicContact CE1-CD 4.3Å; Y133-K161 VanDerWaalsContact CE1-CE 3.45Å; Y133-K161 HydrophobicContact CE1-CG 3.82Å; K161-N164 HydrophobicContact CB-CB 4.16Å; K161-N164 WeakPolarHBondContact O-CB 3.5Å; K161-N164 PolarHBondContact O-N 2.76Å; K161-N164 VanDerWaalsContact O-N 3.17Å; K161-F298 WeakPolarHBondContact O-CE2 3.44Å
162	F	85.5	Confident	85	Confident	37 Å²	37	61.6 Å²	61.6	16%	0.162	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135.4	176.1	-164.8	-97.3	0	0	0	110.6	D132 L134 N164 L201 P202 I273 F298	D132-F162 WeakPolarHBondContact O-CB 3.24Å; D132-F162 PolarHBondContact O-N 2.79Å; L134-F162 HydrophobicContact CD2-CD2 4.15Å; F162-N164 PolarHBondContact O-N 2.85Å; F162-L201 HydrophobicContact CZ-CD2 4.34Å; F162-P202 HydrophobicContact CB-CG 3.76Å; F162-P202 HydrophobicContact CD1-CG 3.85Å; F162-P202 HydrophobicContact CD2-CG 3.97Å; F162-P202 HydrophobicContact CE1-CG 4.49Å; F162-P202 HydrophobicContact CG-CG 3.6Å; F162-I273 HydrophobicContact CD2-CD1 4.3Å; F162-I273 HydrophobicContact CE2-CD1 3.76Å; F162-I273 HydrophobicContact CE2-CG1 3.68Å; F162-I273 HydrophobicContact CZ-CG1 4.24Å; F162-F298 HydrophobicContact CD2-CE1 4.34Å
163	L	85.9	Confident	85.4	Confident	87 Å²	87	58.8 Å²	58.8	46%	0.455	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	17.6	-175.3	-58	175.3	0	0	0	115.7	Y268 F298	L163-Y268 HydrophobicContact CD1-CE2 4.48Å; L163-Y268 HydrophobicContact CD2-CD1 3.67Å; L163-Y268 HydrophobicContact CD2-CD2 3.69Å; L163-Y268 HydrophobicContact CD2-CE1 3.47Å; L163-Y268 VanDerWaalsContact CD2-CE1 3.47Å; L163-Y268 HydrophobicContact CD2-CE2 3.49Å; L163-Y268 VanDerWaalsContact CD2-CE2 3.49Å; L163-Y268 HydrophobicContact CD2-CG 3.77Å; L163-F298 HydrophobicContact CD2-CB 4.2Å; L163-F298 HydrophobicContact CD2-CD1 3.94Å; L163-F298 HydrophobicContact CD2-CG 4.22Å
164	N	86	Confident	86	Confident	72 Å²	72	57.3 Å²	57.3	39%	0.385	29%	0.288	S	S	.	.			trans	-104.2	109.5	175.6	-168.3	3.2	0	0	0	111.3	K161 F162 F298	K161-N164 HydrophobicContact CB-CB 4.16Å; K161-N164 WeakPolarHBondContact O-CB 3.5Å; K161-N164 PolarHBondContact O-N 2.76Å; K161-N164 VanDerWaalsContact O-N 3.17Å; F162-N164 PolarHBondContact O-N 2.85Å; N164-F298 WeakPolarHBondContact O-CE2 3.39Å
165	N	89.5	Confident	86.2	Confident	90 Å²	90	60.4 Å²	60.4	48%	0.481	30%	0.304	S	S	.	.			trans	-74.9	125.5	174.2	-67.8	-13.4	0	0	0	109.9	V296 F298	N165-V296 CarbonylContact C-O 3.53Å; N165-V296 WeakPolarHBondContact CA-O 3.48Å; N165-F298 PolarHBondContact OD1-N 2.89Å
166	I	91	Very high	86.9	Confident	43 Å²	43	52.8 Å²	52.8	22%	0.221	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151	-178	-163.3	172.1	0	0	0	112.5	F158 T168 T295 V296	F158-I166 HydrophobicContact CD1-CD1 4.35Å; F158-I166 HydrophobicContact CE1-CD1 3.47Å; F158-I166 VanDerWaalsContact CE1-CD1 3.47Å; F158-I166 HydrophobicContact CE1-CG2 3.93Å; F158-I166 HydrophobicContact CE2-CD1 3.76Å; F158-I166 HydrophobicContact CZ-CD1 3.13Å; F158-I166 HydrophobicContact CZ-CG1 4.49Å; I166-T168 HydrophobicContact CD1-CG2 4.34Å; I166-T295 CarbonylContact O-C 3.57Å; I166-T295 VanDerWaalsContact O-CA 3.3Å; I166-T295 WeakPolarHBondContact O-CA 3.49Å; I166-V296 HydrophobicContact CG2-CB 4.25Å; I166-V296 PolarHBondContact N-O 2.82Å; I166-V296 PolarHBondContact O-N 2.72Å
167	T	93.2	Very high	87.5	Confident	80 Å²	80	57.9 Å²	57.9	49%	0.491	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123	165.2	-60.2	0	0	0	0	109.5	F293 H294 T295	T167-F293 HydrophobicContact CG2-CD1 4.09Å; T167-H294 CarbonylContact C-O 3.6Å; T167-H294 VanDerWaalsContact CA-O 3.26Å; T167-H294 WeakPolarHBondContact CA-O 3.18Å; T167-T295 WeakPolarHBondContact CG2-OG1 3.37Å; T167-T295 WeakPolarHBondContact OG1-CG2 3.19Å; T167-T295 PolarHBondContact OG1-OG1 2.9Å
168	T	89.1	Confident	87.8	Confident	12 Å²	12	56.2 Å²	56.2	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	156	169.4	62.3	0	0	0	0	110.2	F158 I166 F293 H294	F158-T168 HydrophobicContact CB-CG2 3.96Å; F158-T168 HydrophobicContact CD1-CG2 3.66Å; F158-T168 HydrophobicContact CD2-CG2 4.24Å; F158-T168 HydrophobicContact CE1-CG2 4.3Å; F158-T168 HydrophobicContact CG-CG2 3.65Å; I166-T168 HydrophobicContact CD1-CG2 4.34Å; T168-F293 WeakPolarHBondContact O-CA 3.47Å; T168-H294 PolarHBondContact N-O 2.81Å; T168-H294 PolarHBondContact O-N 2.82Å
169	K	92	Very high	87.8	Confident	103 Å²	103	61.2 Å²	61.2	45%	0.448	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.6	177	-169.6	179.4	81.6	153.5	0	109.1	G151 D291 F293	G151-K169 PolarHBondContact N-O 2.9Å; K169-D291 HydrophobicContact CD-CB 3.98Å; K169-D291 VanDerWaalsContact CD-OD2 3.32Å; K169-D291 WeakPolarHBondContact CD-OD2 3.41Å; K169-D291 WeakPolarHBondContact CE-OD2 3.18Å; K169-D291 HydrophobicContact CG-CB 4.02Å; K169-D291 IonicContact NZ-OD2 2.8Å; K169-D291 PolarHBondContact NZ-OD2 2.82Å; K169-F293 HydrophobicContact CB-CD1 4.19Å; K169-F293 HydrophobicContact CB-CE1 4.13Å; K169-F293 HydrophobicContact CD-CD1 4.41Å; K169-F293 HydrophobicContact CD-CE1 3.6Å; K169-F293 HydrophobicContact CD-CZ 3.75Å; K169-F293 HydrophobicContact CG-CD1 4.06Å; K169-F293 HydrophobicContact CG-CE1 3.75Å; K169-F293 HydrophobicContact CG-CZ 4.11Å
170	C	88.6	Confident	87.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.8	171.9	97	0	0	0	0	110.4	G151 C154 Q292	G151-C170 VanDerWaalsContact O-CA 3.23Å; G151-C170 WeakPolarHBondContact O-CA 3.49Å; C154-C170 HydrophobicContact CB-CB 3.79Å; C154-C170 WeakPolarHBondContact CB-SG 3.25Å; C154-C170 WeakPolarHBondContact SG-CB 3.28Å; C154-C170 CovalentContact SG-SG 2.04Å; C154-C170 PolarHBondContact SG-SG 3.39Å; C170-Q292 PolarHBondContact N-O 2.8Å; C170-Q292 PolarHBondContact O-N 3.48Å
171	T	89	Confident	87.3	Confident	23 Å²	23	62.7 Å²	62.7	14%	0.141	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.4	-176.8	-53.8	0	0	0	0	109.5	G151 G153 D291	G151-T171 PolarHBondContact O-N 2.92Å; G153-T171 VanDerWaalsContact CA-O 3.25Å; G153-T171 WeakPolarHBondContact CA-O 3.28Å; G153-T171 PolarHBondContact N-O 2.57Å; T171-D291 WeakPolarHBondContact CB-OD1 3.22Å; T171-D291 WeakPolarHBondContact CG2-OD1 3.3Å; T171-D291 PolarHBondContact OG1-OD1 2.77Å
172	R	89.6	Confident	87.1	Confident	42 Å²	42	59.8 Å²	59.8	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	145.6	175.4	-64.2	-78.6	179.7	171.9	-8	109.6	C154 L186 K289 F290 Q292	C154-R172 WeakPolarHBondContact SG-CD 3.35Å; C154-R172 PolarHBondContact SG-NE 2.7Å; R172-L186 HydrophobicContact CB-CD2 4.39Å; R172-L186 HydrophobicContact CG-CD2 4.16Å; R172-K289 VanDerWaalsContact O-CA 3.28Å; R172-K289 WeakPolarHBondContact O-CA 3.29Å; R172-F290 HydrophobicContact CB-CD1 3.83Å; R172-F290 HydrophobicContact CB-CE1 3.43Å; R172-F290 VanDerWaalsContact CB-CE1 3.43Å; R172-F290 HydrophobicContact CB-CE2 4.38Å; R172-F290 HydrophobicContact CB-CG 4.48Å; R172-F290 HydrophobicContact CB-CZ 3.75Å; R172-F290 HydrophobicContact CG-CE1 3.97Å; R172-F290 HydrophobicContact CG-CE2 4.22Å; R172-F290 HydrophobicContact CG-CZ 3.73Å; R172-F290 PolarHBondContact N-O 2.83Å; R172-F290 PolarHBondContact O-N 2.78Å; R172-F290 VanDerWaalsContact O-N 3.15Å; R172-Q292 HydrophobicContact CG-CB 4.45Å; R172-Q292 VanDerWaalsContact NH2-OE1 3.14Å
173	T	89.2	Confident	87.1	Confident	89 Å²	89	58 Å²	58	55%	0.546	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131	171.4	-57.1	0	0	0	0	108.7	T288 K289	T173-T288 CarbonylContact C-O 3.52Å; T173-T288 WeakPolarHBondContact CA-O 3.15Å; T173-K289 HydrophobicContact CG2-CG 4.24Å
174	L	89.2	Confident	87.1	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	31%	0.305	C	S	.	.			trans	-114.2	144.7	-179.1	-61.9	174.2	0	0	0	109.5	F176 L186 C255 V285 T288 F290	L174-F176 HydrophobicContact CB-CE1 4.23Å; L174-F176 HydrophobicContact CB-CZ 4.33Å; L174-F176 HydrophobicContact CD1-CE1 4.19Å; L174-F176 HydrophobicContact CD1-CZ 4.23Å; L174-L186 HydrophobicContact CD2-CD1 4.14Å; L174-L186 HydrophobicContact CD2-CD2 4.11Å; L174-L186 HydrophobicContact CD2-CG 4.22Å; L174-C255 HydrophobicContact CD1-CB 4.34Å; L174-C255 VanDerWaalsContact CD1-SG 3.54Å; L174-V285 HydrophobicContact CD1-CB 4.15Å; L174-V285 HydrophobicContact CD1-CG1 3.6Å; L174-T288 PolarHBondContact N-O 3.33Å; L174-F290 HydrophobicContact CD1-CD1 3.91Å; L174-F290 HydrophobicContact CD1-CE1 3.86Å; L174-F290 HydrophobicContact CD2-CE1 4.39Å; L174-F290 HydrophobicContact CG-CD1 4.33Å; L174-F290 HydrophobicContact CG-CE1 4.15Å
175	N	87.8	Confident	86.9	Confident	83 Å²	83	58.4 Å²	58.4	44%	0.444	31%	0.307	S	S	.	.			trans	-124.8	96.1	174.7	178.7	8.6	0	0	0	109.5	K177 D178 S182	N175-K177 PolarHBondContact O-N 2.92Å; N175-K177 WeakPolarHBondContact OD1-CB 3.41Å; N175-K177 PolarHBondContact OD1-N 3.18Å; N175-K177 VanDerWaalsContact OD1-N 3.07Å; N175-D178 HydrophobicContact CB-CB 4.17Å; N175-D178 WeakPolarHBondContact O-CB 3.13Å; N175-D178 PolarHBondContact O-N 3.05Å; N175-D178 VanDerWaalsContact O-OD2 3.11Å; N175-S182 PolarHBondContact N-OG 3.37Å; N175-S182 PolarHBondContact O-OG 3.06Å
176	F	87.5	Confident	86.7	Confident	32 Å²	32	54.6 Å²	54.6	14%	0.14	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-4.3	-179.5	-54.8	-55.1	0	0	0	114.8	L174 L248 T286 T287 T288	L174-F176 HydrophobicContact CB-CE1 4.23Å; L174-F176 HydrophobicContact CB-CZ 4.33Å; L174-F176 HydrophobicContact CD1-CE1 4.19Å; L174-F176 HydrophobicContact CD1-CZ 4.23Å; F176-L248 HydrophobicContact CD1-CD1 3.71Å; F176-L248 HydrophobicContact CE1-CD1 4.41Å; F176-T286 WeakPolarHBondContact CE2-O 3.2Å; F176-T287 WeakPolarHBondContact CZ-O 3.3Å; F176-T288 HydrophobicContact CD2-CG2 4Å; F176-T288 HydrophobicContact CE2-CG2 3.91Å
177	K	86	Confident	86.4	Confident	191 Å²	191	53.1 Å²	53.1	83%	0.83	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.1	174.1	-57	-177	178.8	-178.6	0	113.4	N175 N179	N175-K177 PolarHBondContact O-N 2.92Å; N175-K177 WeakPolarHBondContact OD1-CB 3.41Å; N175-K177 PolarHBondContact OD1-N 3.18Å; N175-K177 VanDerWaalsContact OD1-N 3.07Å; K177-N179 VanDerWaalsContact C-N 3.3Å; K177-N179 PolarHBondContact O-N 3.49Å
178	D	83.2	Confident	86	Confident	37 Å²	37	50.6 Å²	50.6	20%	0.198	27%	0.265	C	S	.	.	S	Bend	trans	-92.7	25.7	-175.3	71.8	10.5	0	0	0	114.5	N175 G180 S181 S182	N175-D178 HydrophobicContact CB-CB 4.17Å; N175-D178 WeakPolarHBondContact O-CB 3.13Å; N175-D178 PolarHBondContact O-N 3.05Å; N175-D178 VanDerWaalsContact O-OD2 3.11Å; D178-G180 PolarHBondContact O-N 3.11Å; D178-G180 VanDerWaalsContact O-N 3.13Å; D178-G180 WeakPolarHBondContact OD1-CA 3.28Å; D178-G180 PolarHBondContact OD1-N 2.93Å; D178-S181 VanDerWaalsContact CB-OG 3.28Å; D178-S181 WeakPolarHBondContact CB-OG 3.42Å; D178-S181 PolarHBondContact O-N 3.03Å; D178-S181 PolarHBondContact O-OG 2.95Å; D178-S181 PolarHBondContact OD1-N 2.88Å; D178-S181 PolarHBondContact OD1-OG 2.65Å; D178-S181 PolarHBondContact OD2-OG 3.18Å; D178-S182 PolarHBondContact OD1-N 2.93Å; D178-S182 PolarHBondContact OD1-OG 3.39Å; D178-S182 WeakPolarHBondContact OD2-CA 3.38Å; D178-S182 WeakPolarHBondContact OD2-CB 3.17Å; D178-S182 PolarHBondContact OD2-N 3.01Å; D178-S182 PolarHBondContact OD2-OG 2.83Å
179	N	81.2	Confident	85.7	Confident	165 Å²	165	50.3 Å²	50.3	88%	0.882	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27.1	-173.8	-64	-17.4	0	0	0	114	K177	K177-N179 VanDerWaalsContact C-N 3.3Å; K177-N179 PolarHBondContact O-N 3.49Å
180	G	81.3	Confident	85.2	Confident	5 Å²	5	49.5 Å²	49.5	5%	0.052	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	7.3	175.8	0	0	0	0	0	114.9	D178 S182 C183 T184	D178-G180 PolarHBondContact O-N 3.11Å; D178-G180 VanDerWaalsContact O-N 3.13Å; D178-G180 WeakPolarHBondContact OD1-CA 3.28Å; D178-G180 PolarHBondContact OD1-N 2.93Å; G180-S182 PolarHBondContact O-N 3.1Å; G180-C183 PolarHBondContact O-N 3.34Å; G180-T184 PolarHBondContact O-N 3.18Å; G180-T184 VanDerWaalsContact O-N 3.08Å; G180-T184 PolarHBondContact O-OG1 3.39Å
181	S	81.3	Confident	84.8	Confident	47 Å²	47	51.3 Å²	51.3	33%	0.329	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-37.8	178.9	55.4	0	0	0	0	112.8	D178 C183 T184 Q185	D178-S181 VanDerWaalsContact CB-OG 3.28Å; D178-S181 WeakPolarHBondContact CB-OG 3.42Å; D178-S181 PolarHBondContact O-N 3.03Å; D178-S181 PolarHBondContact O-OG 2.95Å; D178-S181 PolarHBondContact OD1-N 2.88Å; D178-S181 PolarHBondContact OD1-OG 2.65Å; D178-S181 PolarHBondContact OD2-OG 3.18Å; S181-C183 VanDerWaalsContact C-N 3.32Å; S181-C183 PolarHBondContact O-N 2.98Å; S181-T184 PolarHBondContact O-N 3.48Å; S181-T184 PolarHBondContact O-OG1 3.39Å; S181-Q185 WeakPolarHBondContact O-CB 3.39Å; S181-Q185 WeakPolarHBondContact O-CG 3.34Å; S181-Q185 PolarHBondContact O-N 3.3Å; S181-Q185 VanDerWaalsContact O-N 3.1Å
182	S	84.2	Confident	84.7	Confident	12 Å²	12	50.3 Å²	50.3	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-32.7	174	50.6	0	0	0	0	113.3	N175 D178 G180	N175-S182 PolarHBondContact N-OG 3.37Å; N175-S182 PolarHBondContact O-OG 3.06Å; D178-S182 PolarHBondContact OD1-N 2.93Å; D178-S182 PolarHBondContact OD1-OG 3.39Å; D178-S182 WeakPolarHBondContact OD2-CA 3.38Å; D178-S182 WeakPolarHBondContact OD2-CB 3.17Å; D178-S182 PolarHBondContact OD2-N 3.01Å; D178-S182 PolarHBondContact OD2-OG 2.83Å; G180-S182 PolarHBondContact O-N 3.1Å
183	C	85	Confident	84.3	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.2	-46.6	175	-60.8	0	0	0	0	111.2	G180 S181 Q185 L186 S246 L248 C255	G180-C183 PolarHBondContact O-N 3.34Å; S181-C183 VanDerWaalsContact C-N 3.32Å; S181-C183 PolarHBondContact O-N 2.98Å; C183-Q185 PolarHBondContact O-N 3Å; C183-L186 VanDerWaalsContact O-CB 3.3Å; C183-L186 WeakPolarHBondContact O-CB 3.36Å; C183-L186 WeakPolarHBondContact O-CG 3.36Å; C183-L186 PolarHBondContact O-N 3.4Å; C183-L186 VanDerWaalsContact O-N 3.09Å; C183-S246 CarbonylContact C-O 3.59Å; C183-S246 WeakPolarHBondContact O-CB 3.38Å; C183-L248 HydrophobicContact CB-CB 4.46Å; C183-C255 VanDerWaalsContact CA-SG 3.5Å; C183-C255 HydrophobicContact CB-CB 3.76Å; C183-C255 WeakPolarHBondContact CB-SG 3.43Å; C183-C255 VanDerWaalsContact SG-CA 3.51Å; C183-C255 WeakPolarHBondContact SG-CB 3.4Å; C183-C255 CovalentContact SG-SG 2.03Å; C183-C255 PolarHBondContact SG-SG 2.88Å
184	T	84.7	Confident	83.8	Confident	78 Å²	78	48.2 Å²	48.2	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-70.2	-20	-178.1	57.4	0	0	0	0	113.4	G180 S181 L186 S246	G180-T184 PolarHBondContact O-N 3.18Å; G180-T184 VanDerWaalsContact O-N 3.08Å; G180-T184 PolarHBondContact O-OG1 3.39Å; S181-T184 PolarHBondContact O-N 3.48Å; S181-T184 PolarHBondContact O-OG1 3.39Å; T184-L186 VanDerWaalsContact C-N 3.32Å; T184-S246 VanDerWaalsContact CA-O 3.25Å; T184-S246 WeakPolarHBondContact CA-O 3.44Å; T184-S246 WeakPolarHBondContact CG2-O 3.49Å; T184-S246 PolarHBondContact N-O 3.07Å
185	Q	82.3	Confident	83.1	Confident	90 Å²	90	49 Å²	49	42%	0.421	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.9	172.4	-73	174.9	10.8	0	0	114.1	P113 S181 C183	P113-Q185 HydrophobicContact CB-CB 3.97Å; P113-Q185 HydrophobicContact CB-CG 3.97Å; P113-Q185 HydrophobicContact CG-CG 4.11Å; S181-Q185 WeakPolarHBondContact O-CB 3.39Å; S181-Q185 WeakPolarHBondContact O-CG 3.34Å; S181-Q185 PolarHBondContact O-N 3.3Å; S181-Q185 VanDerWaalsContact O-N 3.1Å; C183-Q185 PolarHBondContact O-N 3Å
186	L	85	Confident	82.8	Confident	10 Å²	10	46 Å²	46	5%	0.052	25%	0.25	C	S	.	.	S	Bend	trans	-66	142.9	173.7	-67.4	178.4	0	0	0	110.6	R172 L174 C183 T184 S188 C255 A258 F290	R172-L186 HydrophobicContact CB-CD2 4.39Å; R172-L186 HydrophobicContact CG-CD2 4.16Å; L174-L186 HydrophobicContact CD2-CD1 4.14Å; L174-L186 HydrophobicContact CD2-CD2 4.11Å; L174-L186 HydrophobicContact CD2-CG 4.22Å; C183-L186 VanDerWaalsContact O-CB 3.3Å; C183-L186 WeakPolarHBondContact O-CB 3.36Å; C183-L186 WeakPolarHBondContact O-CG 3.36Å; C183-L186 PolarHBondContact O-N 3.4Å; C183-L186 VanDerWaalsContact O-N 3.09Å; T184-L186 VanDerWaalsContact C-N 3.32Å; L186-S188 PolarHBondContact O-N 3.2Å; L186-C255 HydrophobicContact CD1-CB 4.26Å; L186-A258 HydrophobicContact CD1-CB 3.69Å; L186-F290 HydrophobicContact CD1-CE1 4.23Å; L186-F290 HydrophobicContact CD1-CZ 4.17Å; L186-F290 HydrophobicContact CD2-CE1 3.97Å; L186-F290 HydrophobicContact CD2-CZ 3.86Å
187	P	85.7	Confident	82.6	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.071	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-65.8	131.5	179.3	30.1	-36.7	0	0	0	110	T191 Y192 V259	P187-T191 HydrophobicContact CB-CG2 4.05Å; P187-Y192 HydrophobicContact CB-CE2 3.7Å; P187-Y192 HydrophobicContact CG-CE2 3.98Å; P187-Y192 VanDerWaalsContact CG-OH 3.29Å; P187-Y192 WeakPolarHBondContact CG-OH 3.46Å; P187-V259 VanDerWaalsContact O-CG2 3.3Å; P187-V259 WeakPolarHBondContact O-CG2 3.43Å
188	S	85.2	Confident	82.7	Confident	28 Å²	28	38 Å²	38	20%	0.196	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-81.9	167.8	173.3	67.8	0	0	0	0	111.1	L186 L190 T191 Y192	L186-S188 PolarHBondContact O-N 3.2Å; S188-L190 PolarHBondContact O-N 3.42Å; S188-T191 PolarHBondContact N-OG1 2.71Å; S188-T191 WeakPolarHBondContact O-CB 3.33Å; S188-T191 PolarHBondContact O-N 2.77Å; S188-T191 PolarHBondContact O-OG1 3.23Å; S188-T191 PolarHBondContact OG-OG1 2.86Å; S188-Y192 WeakPolarHBondContact O-CD2 3.15Å
189	V	81.6	Confident	82.9	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.03	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-50.8	-44	171.9	169.6	0	0	0	0	111.5	T191 Y192 T193 F229 V259 F280 I282	V189-T191 PolarHBondContact O-N 2.92Å; V189-Y192 PolarHBondContact O-N 2.87Å; V189-Y192 VanDerWaalsContact O-N 3.08Å; V189-T193 PolarHBondContact O-OG1 3.05Å; V189-F229 HydrophobicContact CG1-CD2 3.6Å; V189-F229 HydrophobicContact CG1-CE2 3.51Å; V189-F229 HydrophobicContact CG1-CZ 4.34Å; V189-V259 HydrophobicContact CG2-CG2 4.26Å; V189-F280 HydrophobicContact CB-CE2 4.49Å; V189-F280 HydrophobicContact CG1-CD2 3.94Å; V189-F280 HydrophobicContact CG1-CE2 3.64Å; V189-F280 HydrophobicContact CG1-CZ 4.07Å; V189-F280 HydrophobicContact CG2-CD1 4.39Å; V189-F280 HydrophobicContact CG2-CD2 4.25Å; V189-F280 HydrophobicContact CG2-CG 4.14Å; V189-I282 HydrophobicContact CG2-CD1 4.09Å
190	L	81.3	Confident	83.1	Confident	87 Å²	87	31.9 Å²	31.9	46%	0.455	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-61.6	-26	179.8	-63.9	177.5	0	0	0	113.4	S188 Y192 T193 D194	S188-L190 PolarHBondContact O-N 3.42Å; L190-Y192 PolarHBondContact O-N 3.35Å; L190-Y192 VanDerWaalsContact O-N 3.17Å; L190-T193 PolarHBondContact O-N 2.78Å; L190-D194 HydrophobicContact CB-CB 4.35Å; L190-D194 WeakPolarHBondContact O-CB 3.44Å; L190-D194 PolarHBondContact O-N 2.92Å
191	T	81.1	Confident	83.3	Confident	37 Å²	37	33.9 Å²	33.9	23%	0.227	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.7	-25.2	177.6	-51.8	0	0	0	0	111.9	P187 S188 V189	P187-T191 HydrophobicContact CB-CG2 4.05Å; S188-T191 PolarHBondContact N-OG1 2.71Å; S188-T191 WeakPolarHBondContact O-CB 3.33Å; S188-T191 PolarHBondContact O-N 2.77Å; S188-T191 PolarHBondContact O-OG1 3.23Å; S188-T191 PolarHBondContact OG-OG1 2.86Å; V189-T191 PolarHBondContact O-N 2.92Å
192	Y	85.9	Confident	83.4	Confident	2 Å²	2	32 Å²	32	1%	0.008	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-107.8	0.5	-176.8	-60.6	-80.2	0	0	0	113.3	N116 P187 S188 V189 L190 L196 I226 V259 V262 F264 F280 H294	N116-Y192 WeakPolarHBondContact ND2-CD1 3.43Å; N116-Y192 WeakPolarHBondContact ND2-CE1 3.45Å; P187-Y192 HydrophobicContact CB-CE2 3.7Å; P187-Y192 HydrophobicContact CG-CE2 3.98Å; P187-Y192 VanDerWaalsContact CG-OH 3.29Å; P187-Y192 WeakPolarHBondContact CG-OH 3.46Å; S188-Y192 WeakPolarHBondContact O-CD2 3.15Å; V189-Y192 PolarHBondContact O-N 2.87Å; V189-Y192 VanDerWaalsContact O-N 3.08Å; L190-Y192 PolarHBondContact O-N 3.35Å; L190-Y192 VanDerWaalsContact O-N 3.17Å; Y192-L196 VanDerWaalsContact O-CD1 3.29Å; Y192-L196 WeakPolarHBondContact O-CD1 3.45Å; Y192-I226 WeakPolarHBondContact O-CD1 3.45Å; Y192-V259 HydrophobicContact CE2-CG1 4.25Å; Y192-V262 HydrophobicContact CD1-CG1 4.13Å; Y192-V262 HydrophobicContact CD1-CG2 4.25Å; Y192-V262 HydrophobicContact CD2-CG2 4.04Å; Y192-V262 HydrophobicContact CE1-CG2 3.98Å; Y192-V262 HydrophobicContact CE2-CG2 3.73Å; Y192-V262 HydrophobicContact CG-CG1 4.17Å; Y192-V262 HydrophobicContact CG-CG2 4.26Å; Y192-F264 HydrophobicContact CD1-CZ 4.43Å; Y192-F280 AromaticContact CD2-CE1 3.63Å; Y192-F280 HydrophobicContact CD2-CE1 3.63Å; Y192-F280 HydrophobicContact CD2-CZ 4.36Å; Y192-F280 HydrophobicContact CE2-CE1 4.47Å; Y192-F280 AromaticContact CG-CE1 3.92Å; Y192-F280 HydrophobicContact CG-CE1 3.92Å; Y192-F280 HydrophobicContact CG-CZ 4.37Å; Y192-H294 AromaticContact CE1-CD2 3.78Å; Y192-H294 AromaticContact CE1-NE2 3.77Å; Y192-H294 AromaticContact CZ-NE2 3.7Å; Y192-H294 PolarHBondContact OH-NE2 2.75Å
193	T	81.2	Confident	83	Confident	14 Å²	14	31.7 Å²	31.7	9%	0.086	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-36	-173	61.2	0	0	0	0	114	V189 L190 G195 I226 F229 F280	V189-T193 PolarHBondContact O-OG1 3.05Å; L190-T193 PolarHBondContact O-N 2.78Å; T193-G195 PolarHBondContact O-N 3.06Å; T193-I226 HydrophobicContact CG2-CD1 4.4Å; T193-F229 HydrophobicContact CG2-CB 4.02Å; T193-F229 HydrophobicContact CG2-CD1 3.64Å; T193-F229 HydrophobicContact CG2-CD2 4.45Å; T193-F229 HydrophobicContact CG2-CE1 4.22Å; T193-F229 HydrophobicContact CG2-CG 3.78Å; T193-F280 HydrophobicContact CG2-CE2 3.84Å; T193-F280 HydrophobicContact CG2-CZ 3.75Å
194	D	78.5	Confident	82.4	Confident	73 Å²	73	34.2 Å²	34.2	39%	0.39	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	126.3	-173.5	-176.5	39.6	0	0	0	111.8	Y138 R139 L190 L196	Y138-D194 WeakPolarHBondContact CE2-O 3.36Å; R139-D194 IonicContact CZ-OD2 3.96Å; R139-D194 IonicContact NE-OD2 2.78Å; R139-D194 IonicContact NH2-OD2 2.69Å; R139-D194 PolarHBondContact NH2-OD2 3.47Å; L190-D194 HydrophobicContact CB-CB 4.35Å; L190-D194 WeakPolarHBondContact O-CB 3.44Å; L190-D194 PolarHBondContact O-N 2.92Å; D194-L196 PolarHBondContact O-N 2.97Å; D194-L196 VanDerWaalsContact O-N 3.17Å
195	G	75	Confident	81.9	Confident	22 Å²	22	37 Å²	37	23%	0.227	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	4.6	174.6	0	0	0	0	0	116.4	F137 Y138 R139 T193	F137-G195 VanDerWaalsContact O-O 3.13Å; Y138-G195 CarbonylContact C-O 3.59Å; Y138-G195 WeakPolarHBondContact CA-O 3.47Å; R139-G195 PolarHBondContact N-O 3.03Å; T193-G195 PolarHBondContact O-N 3.06Å
196	L	82.1	Confident	81.3	Confident	19 Å²	19	34.4 Å²	34.4	10%	0.099	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	126.4	-178.3	-55.4	-176.8	0	0	0	112.2	L136 Y138 Y192 D194 F198 I226	L136-L196 HydrophobicContact CD1-CD2 3.86Å; L136-L196 HydrophobicContact CD2-CB 4.47Å; L136-L196 HydrophobicContact CD2-CD1 4.49Å; L136-L196 HydrophobicContact CD2-CD2 3.95Å; Y138-L196 HydrophobicContact CD2-CD2 3.99Å; Y192-L196 VanDerWaalsContact O-CD1 3.29Å; Y192-L196 WeakPolarHBondContact O-CD1 3.45Å; D194-L196 PolarHBondContact O-N 2.97Å; D194-L196 VanDerWaalsContact O-N 3.17Å; L196-F198 HydrophobicContact CB-CE2 4.11Å; L196-I226 HydrophobicContact CB-CD1 4.09Å; L196-I226 HydrophobicContact CD1-CD1 4.13Å
197	K	83.3	Confident	80.3	Confident	56 Å²	56	36 Å²	36	24%	0.243	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112.2	170.4	-66.1	-164	-176	173.1	0	111.3	L136 F137 N140 V224	L136-K197 CarbonylContact C-O 3.59Å; L136-K197 WeakPolarHBondContact CA-O 3.41Å; L136-K197 VanDerWaalsContact CB-O 3.26Å; L136-K197 WeakPolarHBondContact CB-O 3.4Å; F137-K197 HydrophobicContact CB-CB 4.41Å; F137-K197 PolarHBondContact N-O 3.38Å; F137-K197 PolarHBondContact O-N 2.92Å; N140-K197 PolarHBondContact ND2-NZ 3.46Å; N140-K197 WeakPolarHBondContact OD1-CD 3.41Å; N140-K197 WeakPolarHBondContact OD1-CE 3.43Å; N140-K197 PolarHBondContact OD1-NZ 3.45Å; K197-V224 CarbonylContact C-O 3.59Å
198	F	88.3	Confident	78.9	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	149.6	-176.6	-68.6	-100.6	0	0	0	111.4	C135 L136 F146 L196 T223 V224 I226 F264 I276	C135-F198 CarbonylContact O-C 3.58Å; C135-F198 WeakPolarHBondContact O-CA 3.32Å; L136-F198 HydrophobicContact CB-CD1 4.17Å; L136-F198 HydrophobicContact CB-CE1 4.47Å; L136-F198 HydrophobicContact CB-CG 4.23Å; L136-F198 HydrophobicContact CD2-CD1 4.36Å; L136-F198 HydrophobicContact CD2-CE1 3.83Å; L136-F198 HydrophobicContact CD2-CE2 4.28Å; L136-F198 HydrophobicContact CD2-CZ 3.78Å; F146-F198 HydrophobicContact CB-CE1 3.97Å; F146-F198 AromaticContact CD1-CE1 3.88Å; F146-F198 HydrophobicContact CD1-CE1 3.88Å; F146-F198 HydrophobicContact CD1-CZ 4.43Å; F146-F198 AromaticContact CD2-CE1 3.85Å; F146-F198 HydrophobicContact CD2-CE1 3.85Å; F146-F198 AromaticContact CD2-CZ 3.87Å; F146-F198 HydrophobicContact CD2-CZ 3.87Å; F146-F198 HydrophobicContact CE1-CE1 4.3Å; F146-F198 HydrophobicContact CE1-CZ 4.48Å; F146-F198 HydrophobicContact CE2-CE1 4.27Å; F146-F198 AromaticContact CE2-CZ 3.94Å; F146-F198 HydrophobicContact CE2-CZ 3.94Å; F146-F198 AromaticContact CG-CE1 3.62Å; F146-F198 HydrophobicContact CG-CE1 3.62Å; F146-F198 HydrophobicContact CG-CZ 4.12Å; F146-F198 HydrophobicContact CZ-CE1 4.47Å; F146-F198 HydrophobicContact CZ-CZ 4.24Å; L196-F198 HydrophobicContact CB-CE2 4.11Å; F198-T223 CarbonylContact O-C 3.47Å; F198-T223 WeakPolarHBondContact O-CA 3.4Å; F198-V224 PolarHBondContact N-O 2.77Å; F198-V224 PolarHBondContact O-N 2.96Å; F198-I226 HydrophobicContact CD2-CG1 4.47Å; F198-I226 HydrophobicContact CE2-CD1 4.13Å; F198-I226 HydrophobicContact CE2-CG1 4Å; F198-F264 HydrophobicContact CZ-CE1 4.4Å; F198-I276 HydrophobicContact CB-CD1 3.5Å; F198-I276 HydrophobicContact CD1-CD1 4.18Å; F198-I276 HydrophobicContact CD2-CD1 3.35Å; F198-I276 HydrophobicContact CE2-CD1 4.11Å; F198-I276 HydrophobicContact CG-CD1 3.4Å
199	L	86.7	Confident	77.2	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.4	166.4	-64.5	-175.9	0	0	0	109.5	C135 F137 L143 L201 I203 L206 I217 T223	C135-L199 HydrophobicContact CB-CD1 3.76Å; C135-L199 HydrophobicContact CB-CG 4.16Å; C135-L199 PolarHBondContact O-N 3.26Å; F137-L199 HydrophobicContact CD2-CD2 4.09Å; F137-L199 HydrophobicContact CE2-CD2 3.46Å; F137-L199 VanDerWaalsContact CE2-CD2 3.46Å; F137-L199 HydrophobicContact CZ-CD2 4.33Å; L143-L199 HydrophobicContact CD1-CD1 4.25Å; L199-L201 VanDerWaalsContact C-N 3.27Å; L199-L201 WeakPolarHBondContact CB-O 3.05Å; L199-L201 PolarHBondContact O-N 3.15Å; L199-I203 HydrophobicContact CD1-CD1 3.88Å; L199-I203 HydrophobicContact CD1-CG1 3.37Å; L199-L206 HydrophobicContact CD1-CD1 4.39Å; L199-I217 HydrophobicContact CD2-CG2 3.58Å; L199-T223 HydrophobicContact CD2-CG2 4.13Å
200	R	85.9	Confident	75.9	Confident	68 Å²	68	58 Å²	58	26%	0.257	29%	0.288	S	S	.	.	S	Bend	trans	-63.8	-34.6	178.7	179.9	158.5	-171.1	174.4	6.7	112.6	N222 V224 N271 G272 I273	R200-N222 WeakPolarHBondContact CB-O 3.33Å; R200-N222 PolarHBondContact N-O 2.8Å; R200-V224 HydrophobicContact CB-CG2 4.24Å; R200-N271 WeakPolarHBondContact CD-O 3.11Å; R200-N271 WeakPolarHBondContact CG-O 3.16Å; R200-N271 PolarHBondContact NE-O 2.87Å; R200-N271 VanDerWaalsContact NH2-CB 3.27Å; R200-G272 CarbonylContact O-C 3.38Å; R200-G272 WeakPolarHBondContact O-CA 3.05Å; R200-I273 WeakPolarHBondContact CD-O 3.28Å; R200-I273 VanDerWaalsContact CG-O 3.29Å; R200-I273 WeakPolarHBondContact CG-O 3.36Å; R200-I273 PolarHBondContact NE-O 3.17Å; R200-I273 PolarHBondContact O-N 3.12Å
201	L	84.9	Confident	74.6	Confident	47 Å²	47	59.1 Å²	59.1	25%	0.246	30%	0.304	C	S	.	.	S	Bend	trans	-133.6	157.6	-180	-71.9	169.5	0	0	0	109.4	F162 L199 K205 L206 G272	F162-L201 HydrophobicContact CZ-CD2 4.34Å; L199-L201 VanDerWaalsContact C-N 3.27Å; L199-L201 WeakPolarHBondContact CB-O 3.05Å; L199-L201 PolarHBondContact O-N 3.15Å; L201-K205 HydrophobicContact CB-CB 4.31Å; L201-L206 HydrophobicContact CB-CD2 4.04Å; L201-L206 HydrophobicContact CB-CG 4Å; L201-L206 HydrophobicContact CD1-CD2 4.2Å; L201-G272 VanDerWaalsContact CD2-CA 3.44Å
202	P	83.2	Confident	73.4	Confident	7 Å²	7	60.8 Å²	60.8	5%	0.045	31%	0.31	C	S	.	.			trans	-49.7	144.8	165.8	-29	37.9	0	0	0	111.9	D132 F162 S204 K205 L206	D132-P202 HydrophobicContact CB-CB 4.35Å; D132-P202 HydrophobicContact CB-CG 4.37Å; D132-P202 WeakPolarHBondContact OD1-CB 3.06Å; F162-P202 HydrophobicContact CB-CG 3.76Å; F162-P202 HydrophobicContact CD1-CG 3.85Å; F162-P202 HydrophobicContact CD2-CG 3.97Å; F162-P202 HydrophobicContact CE1-CG 4.49Å; F162-P202 HydrophobicContact CG-CG 3.6Å; P202-S204 WeakPolarHBondContact CB-OG 3.28Å; P202-S204 PolarHBondContact O-N 3.4Å; P202-K205 HydrophobicContact CB-CG 4.34Å; P202-K205 HydrophobicContact CG-CG 4.47Å; P202-K205 PolarHBondContact O-N 3.26Å; P202-L206 PolarHBondContact O-N 3.28Å; P202-L206 VanDerWaalsContact O-N 3.15Å
203	I	75.7	Confident	72.3	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-54	-42.9	175	-71.9	-159.7	0	0	0	110.2	I126 C129 L143 L199 K205 L206 F207	I126-I203 HydrophobicContact CG2-CD1 4.49Å; I126-I203 HydrophobicContact CG2-CG2 3.81Å; C129-I203 HydrophobicContact CB-CB 4.29Å; C129-I203 HydrophobicContact CB-CD1 3.19Å; C129-I203 HydrophobicContact CB-CG1 3.72Å; L143-I203 HydrophobicContact CD2-CD1 3.91Å; L199-I203 HydrophobicContact CD1-CD1 3.88Å; L199-I203 HydrophobicContact CD1-CG1 3.37Å; I203-K205 PolarHBondContact O-N 3.42Å; I203-L206 PolarHBondContact O-N 2.84Å; I203-L206 VanDerWaalsContact O-N 3.12Å; I203-F207 HydrophobicContact CB-CD2 4.31Å; I203-F207 HydrophobicContact CB-CE2 4.37Å; I203-F207 HydrophobicContact CG2-CD2 3.47Å; I203-F207 VanDerWaalsContact CG2-CD2 3.47Å; I203-F207 HydrophobicContact CG2-CE2 3.52Å; I203-F207 HydrophobicContact CG2-CG 4.35Å; I203-F207 HydrophobicContact CG2-CZ 4.45Å; I203-F207 WeakPolarHBondContact O-CB 3.33Å; I203-F207 WeakPolarHBondContact O-CD2 3.27Å; I203-F207 PolarHBondContact O-N 3.26Å
204	S	73.2	Confident	71.3	Confident	52 Å²	52	72.7 Å²	72.7	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-50	-34.1	176.1	66.3	0	0	0	0	114	D132 P202	D132-S204 PolarHBondContact OD1-OG 2.82Å; P202-S204 WeakPolarHBondContact CB-OG 3.28Å; P202-S204 PolarHBondContact O-N 3.4Å
205	K	74.2	Confident	70.6	Confident	138 Å²	138	76 Å²	76	60%	0.6	37%	0.372	S	S	*	.	H	α-helix	trans	-88.6	-32.5	-179.2	-64.3	-65.4	-175.6	179.3	0	113.5	L201 P202 I203 F207	L201-K205 HydrophobicContact CB-CB 4.31Å; P202-K205 HydrophobicContact CB-CG 4.34Å; P202-K205 HydrophobicContact CG-CG 4.47Å; P202-K205 PolarHBondContact O-N 3.26Å; I203-K205 PolarHBondContact O-N 3.42Å; K205-F207 PolarHBondContact O-N 2.85Å
206	L	69.6	Low	70.1	Confident	34 Å²	34	76.5 Å²	76.5	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-68.6	-27.7	173.5	-66.9	172.6	0	0	0	111.7	L199 L201 P202 I203	L199-L206 HydrophobicContact CD1-CD1 4.39Å; L201-L206 HydrophobicContact CB-CD2 4.04Å; L201-L206 HydrophobicContact CB-CG 4Å; L201-L206 HydrophobicContact CD1-CD2 4.2Å; P202-L206 PolarHBondContact O-N 3.28Å; P202-L206 VanDerWaalsContact O-N 3.15Å; I203-L206 PolarHBondContact O-N 2.84Å; I203-L206 VanDerWaalsContact O-N 3.12Å
207	F	63.6	Low	69.3	Low	43 Å²	43	75.7 Å²	75.7	19%	0.189	37%	0.372	C	S	.	.			trans	-102.8	57.2	-175	-74.5	-100	0	0	0	113.4	I126 I203 K205 I212 I217	I126-F207 HydrophobicContact CD1-CZ 4.26Å; I126-F207 HydrophobicContact CG2-CZ 4.34Å; I203-F207 HydrophobicContact CB-CD2 4.31Å; I203-F207 HydrophobicContact CB-CE2 4.37Å; I203-F207 HydrophobicContact CG2-CD2 3.47Å; I203-F207 VanDerWaalsContact CG2-CD2 3.47Å; I203-F207 HydrophobicContact CG2-CE2 3.52Å; I203-F207 HydrophobicContact CG2-CG 4.35Å; I203-F207 HydrophobicContact CG2-CZ 4.45Å; I203-F207 WeakPolarHBondContact O-CB 3.33Å; I203-F207 WeakPolarHBondContact O-CD2 3.27Å; I203-F207 PolarHBondContact O-N 3.26Å; K205-F207 PolarHBondContact O-N 2.85Å; F207-I212 HydrophobicContact CE1-CB 4.32Å; F207-I217 HydrophobicContact CE2-CD1 3.87Å; F207-I217 HydrophobicContact CE2-CG1 4.38Å; F207-I217 HydrophobicContact CZ-CD1 3.52Å; F207-I217 HydrophobicContact CZ-CG1 4.16Å
208	Q	56.8	Low	68.4	Low	173 Å²	173	75.6 Å²	75.6	81%	0.808	37%	0.373	S	S	*	.	S	Bend	trans	-69.1	-27.1	161.1	-76.1	-173.4	-4.7	0	0	111.6
209	N	50.1	Low	67.3	Low	124 Å²	124	77.2 Å²	77.2	66%	0.663	39%	0.387	S	S	*	.	S	Bend	trans	-114.8	114.1	176.6	-70.6	-19.9	0	0	0	110.1	S211	N209-S211 PolarHBondContact O-N 3.03Å
210	K	53	Low	66.2	Low	209 Å²	209	82.3 Å²	82.3	91%	0.909	42%	0.423	S	S	*	.	S	Bend	trans	-61.1	8	-169.6	-79.8	-178.5	173.8	178.7	0	117.6
211	S	53.5	Low	65.5	Low	111 Å²	111	84 Å²	84	78%	0.776	44%	0.437	S	S	*	.			trans	-128.1	41.8	-165.7	53.1	0	0	0	0	114.8	N209	N209-S211 PolarHBondContact O-N 3.03Å
212	I	57.8	Low	65.2	Low	72 Å²	72	83.5 Å²	83.5	37%	0.369	44%	0.435	S	S	.	.			trans	-98.9	128.1	171.8	-63.2	173.9	0	0	0	109.8	F207 I217	F207-I212 HydrophobicContact CE1-CB 4.32Å; I212-I217 HydrophobicContact CG2-CG1 3.98Å
213	R	61.1	Low	65.2	Low	201 Å²	201	84 Å²	84	76%	0.758	44%	0.437	S	S	*	.			trans	-74.1	153.9	172.1	-66.8	-177.1	176.7	-178.8	-0.9	110.6	E215 G216 I217	R213-E215 PolarHBondContact O-N 2.75Å; R213-G216 WeakPolarHBondContact O-CA 2.92Å; R213-G216 PolarHBondContact O-N 3.45Å; R213-I217 PolarHBondContact O-N 2.86Å
214	L	61.6	Low	65.6	Low	65 Å²	65	84.6 Å²	84.6	34%	0.34	44%	0.442	S	S	.	.	H	α-helix	trans	-48.2	-37.9	176.6	-170.3	68.8	0	0	0	112.9	F137 L143 G216 I217 M218	F137-L214 HydrophobicContact CE1-CD1 3.76Å; F137-L214 HydrophobicContact CE1-CG 4.27Å; F137-L214 HydrophobicContact CZ-CD1 4.16Å; L143-L214 HydrophobicContact CB-CD1 4.13Å; L143-L214 HydrophobicContact CD2-CD1 3.99Å; L214-G216 VanDerWaalsContact C-N 3.32Å; L214-G216 PolarHBondContact O-N 3.01Å; L214-I217 HydrophobicContact CD1-CD1 4.21Å; L214-I217 WeakPolarHBondContact O-CB 3.5Å; L214-I217 PolarHBondContact O-N 2.91Å; L214-I217 VanDerWaalsContact O-N 3.07Å; L214-M218 HydrophobicContact CD2-CE 4.45Å; L214-M218 HydrophobicContact CG-CE 4.19Å; L214-M218 WeakPolarHBondContact O-CG 3.36Å; L214-M218 PolarHBondContact O-N 3.5Å
215	E	63.3	Low	66.1	Low	144 Å²	144	85 Å²	85	67%	0.673	44%	0.444	S	S	*	.	H	α-helix	trans	-57.9	-39.7	175.3	-64.4	177.7	164	0	0	113.2	R213 I217 M218 A219	R213-E215 PolarHBondContact O-N 2.75Å; E215-I217 VanDerWaalsContact C-N 3.3Å; E215-I217 PolarHBondContact O-N 3.22Å; E215-M218 HydrophobicContact CG-CE 4.32Å; E215-M218 PolarHBondContact O-N 3.07Å; E215-A219 PolarHBondContact O-N 2.96Å
216	G	64.2	Low	66.4	Low	32 Å²	32	79.6 Å²	79.6	33%	0.33	42%	0.422	S	S	.	.	H	α-helix	trans	-69.9	-27.5	175.8	0	0	0	0	0	112.9	R213 L214 A219 N222	R213-G216 WeakPolarHBondContact O-CA 2.92Å; R213-G216 PolarHBondContact O-N 3.45Å; L214-G216 VanDerWaalsContact C-N 3.32Å; L214-G216 PolarHBondContact O-N 3.01Å; G216-A219 VanDerWaalsContact O-CB 3.32Å; G216-A219 WeakPolarHBondContact O-CB 3.47Å; G216-N222 PolarHBondContact O-ND2 3.14Å
217	I	66.4	Low	66.4	Low	2 Å²	2	79.5 Å²	79.5	1%	0.01	43%	0.429	C	S	.	.	H	α-helix	trans	-74.7	-38.4	174.1	-45.6	173.8	0	0	0	110.4	F137 L199 F207 I212 R213 L214 E215 A219 N222	F137-I217 HydrophobicContact CE2-CB 4.36Å; F137-I217 HydrophobicContact CE2-CG2 3.8Å; F137-I217 HydrophobicContact CZ-CB 3.87Å; F137-I217 HydrophobicContact CZ-CG2 3.64Å; L199-I217 HydrophobicContact CD2-CG2 3.58Å; F207-I217 HydrophobicContact CE2-CD1 3.87Å; F207-I217 HydrophobicContact CE2-CG1 4.38Å; F207-I217 HydrophobicContact CZ-CD1 3.52Å; F207-I217 HydrophobicContact CZ-CG1 4.16Å; I212-I217 HydrophobicContact CG2-CG1 3.98Å; R213-I217 PolarHBondContact O-N 2.86Å; L214-I217 HydrophobicContact CD1-CD1 4.21Å; L214-I217 WeakPolarHBondContact O-CB 3.5Å; L214-I217 PolarHBondContact O-N 2.91Å; L214-I217 VanDerWaalsContact O-N 3.07Å; E215-I217 VanDerWaalsContact C-N 3.3Å; E215-I217 PolarHBondContact O-N 3.22Å; I217-A219 PolarHBondContact O-N 2.76Å; I217-N222 WeakPolarHBondContact O-CB 3.31Å
218	M	63.9	Low	66.7	Low	53 Å²	53	77.8 Å²	77.8	26%	0.261	42%	0.422	S	S	.	.	S	Bend	trans	-70.4	-4.6	177.1	-70.3	-172.7	-67.1	0	0	113.9	F137 L214 E215	F137-M218 HydrophobicContact CD1-CG 3.61Å; F137-M218 HydrophobicContact CD1-SD 4Å; F137-M218 HydrophobicContact CD2-CG 4.22Å; F137-M218 HydrophobicContact CE1-CG 3.24Å; F137-M218 HydrophobicContact CE1-SD 3.94Å; F137-M218 HydrophobicContact CE2-CG 3.88Å; F137-M218 HydrophobicContact CG-CG 4.08Å; F137-M218 HydrophobicContact CZ-CB 4.41Å; F137-M218 HydrophobicContact CZ-CG 3.41Å; F137-M218 VanDerWaalsContact CZ-CG 3.41Å; L214-M218 HydrophobicContact CD2-CE 4.45Å; L214-M218 HydrophobicContact CG-CE 4.19Å; L214-M218 WeakPolarHBondContact O-CG 3.36Å; L214-M218 PolarHBondContact O-N 3.5Å; E215-M218 HydrophobicContact CG-CE 4.32Å; E215-M218 PolarHBondContact O-N 3.07Å
219	A	65.8	Low	67.8	Low	36 Å²	36	71.3 Å²	71.3	30%	0.298	39%	0.391	S	S	.	.	S	Bend	trans	-56.3	142.5	174.7	0	0	0	0	0	110.8	E215 G216 I217 N221 N222 T223	E215-A219 PolarHBondContact O-N 2.96Å; G216-A219 VanDerWaalsContact O-CB 3.32Å; G216-A219 WeakPolarHBondContact O-CB 3.47Å; I217-A219 PolarHBondContact O-N 2.76Å; A219-N221 WeakPolarHBondContact CB-OD1 2.97Å; A219-N221 PolarHBondContact O-N 2.83Å; A219-N221 VanDerWaalsContact O-N 3.1Å; A219-N222 PolarHBondContact O-N 2.57Å; A219-T223 PolarHBondContact O-N 2.77Å; A219-T223 PolarHBondContact O-OG1 3.11Å
220	S	62.6	Low	69.2	Low	112 Å²	112	66.8 Å²	66.8	78%	0.783	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.7	-175.2	54.6	0	0	0	0	113.7
221	N	71.3	Confident	70.5	Confident	103 Å²	103	56.9 Å²	56.9	55%	0.551	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-24.6	175.3	61.8	-16.7	0	0	0	113.5	A219	A219-N221 WeakPolarHBondContact CB-OD1 2.97Å; A219-N221 PolarHBondContact O-N 2.83Å; A219-N221 VanDerWaalsContact O-N 3.1Å
222	N	79.2	Confident	71.8	Confident	37 Å²	37	53 Å²	53	20%	0.198	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-8.8	-176	-71	-24.9	0	0	0	112.9	R200 G216 I217 A219	R200-N222 WeakPolarHBondContact CB-O 3.33Å; R200-N222 PolarHBondContact N-O 2.8Å; G216-N222 PolarHBondContact O-ND2 3.14Å; I217-N222 WeakPolarHBondContact O-CB 3.31Å; A219-N222 PolarHBondContact O-N 2.57Å
223	T	83	Confident	73.1	Confident	16 Å²	16	51.4 Å²	51.4	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	-175.8	56.7	0	0	0	0	111.8	F137 F198 L199 A219	F137-T223 HydrophobicContact CD2-CG2 3.62Å; F137-T223 HydrophobicContact CE2-CG2 3.74Å; F198-T223 CarbonylContact O-C 3.47Å; F198-T223 WeakPolarHBondContact O-CA 3.4Å; L199-T223 HydrophobicContact CD2-CG2 4.13Å; A219-T223 PolarHBondContact O-N 2.77Å; A219-T223 PolarHBondContact O-OG1 3.11Å
224	V	83.2	Confident	74.4	Confident	19 Å²	19	47.3 Å²	47.3	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.3	177.7	-178.4	0	0	0	0	108	K197 F198 R200 I273 I276	K197-V224 CarbonylContact C-O 3.59Å; F198-V224 PolarHBondContact N-O 2.77Å; F198-V224 PolarHBondContact O-N 2.96Å; R200-V224 HydrophobicContact CB-CG2 4.24Å; V224-I273 HydrophobicContact CB-CG2 4.3Å; V224-I273 HydrophobicContact CG1-CG2 4.17Å; V224-I273 HydrophobicContact CG2-CB 4.42Å; V224-I273 HydrophobicContact CG2-CG2 4.26Å; V224-I273 WeakPolarHBondContact CG2-O 3.47Å; V224-I276 HydrophobicContact CG1-CD1 4.45Å; V224-I276 HydrophobicContact CG1-CG1 4.29Å
225	S	84.6	Confident	75.4	Confident	60 Å²	60	50.1 Å²	50.1	42%	0.42	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	157.1	170.1	-56.1	0	0	0	0	110	G227	S225-G227 PolarHBondContact O-N 3.06Å; S225-G227 VanDerWaalsContact O-N 3.1Å
226	I	79	Confident	76.1	Confident	26 Å²	26	48.3 Å²	48.3	13%	0.133	29%	0.288	C	S	.	.			trans	-59.1	117.8	164.6	-66.2	164.9	0	0	0	107.9	Y192 T193 L196 F198 L228 F264 I276 V278	Y192-I226 WeakPolarHBondContact O-CD1 3.45Å; T193-I226 HydrophobicContact CG2-CD1 4.4Å; L196-I226 HydrophobicContact CB-CD1 4.09Å; L196-I226 HydrophobicContact CD1-CD1 4.13Å; F198-I226 HydrophobicContact CD2-CG1 4.47Å; F198-I226 HydrophobicContact CE2-CD1 4.13Å; F198-I226 HydrophobicContact CE2-CG1 4Å; I226-L228 WeakPolarHBondContact CG2-O 3.46Å; I226-F264 HydrophobicContact CD1-CE1 4.32Å; I226-I276 HydrophobicContact CG1-CG2 4.07Å; I226-V278 HydrophobicContact CD1-CG2 4.06Å; I226-V278 HydrophobicContact CG1-CG2 4.3Å; I226-V278 HydrophobicContact CG2-CG2 3.83Å
227	G	70.4	Confident	76.4	Confident	32 Å²	32	51 Å²	51	33%	0.33	29%	0.294	S	S	.	.			trans	-77.1	-35.4	-176.5	0	0	0	0	0	112.4	S225 I276	S225-G227 PolarHBondContact O-N 3.06Å; S225-G227 VanDerWaalsContact O-N 3.1Å; G227-I276 PolarHBondContact N-O 3.17Å
228	L	69.7	Low	76.9	Confident	7 Å²	7	54 Å²	54	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150.5	-178.5	177.5	61.9	0	0	0	111.1	I226 I230 S277 V278 D314 Y315 L316	I226-L228 WeakPolarHBondContact CG2-O 3.46Å; L228-I230 HydrophobicContact CD1-CG2 4.31Å; L228-I230 HydrophobicContact CD2-CG2 3.99Å; L228-I230 HydrophobicContact CG-CG2 4.09Å; L228-S277 CarbonylContact O-C 3.54Å; L228-S277 VanDerWaalsContact O-CA 3.27Å; L228-S277 WeakPolarHBondContact O-CA 3.14Å; L228-V278 PolarHBondContact O-N 3.43Å; L228-D314 WeakPolarHBondContact CD1-O 3.5Å; L228-D314 WeakPolarHBondContact CD2-O 3.39Å; L228-Y315 HydrophobicContact CB-CD1 4.33Å; L228-Y315 HydrophobicContact CB-CE1 4.45Å; L228-Y315 HydrophobicContact CD2-CD2 4.3Å; L228-Y315 HydrophobicContact CD2-CE2 4.49Å; L228-Y315 HydrophobicContact CD2-CG 4.34Å; L228-L316 HydrophobicContact CD1-CD1 4.17Å; L228-L316 HydrophobicContact CD1-CD2 4.5Å; L228-L316 HydrophobicContact CD1-CG 3.76Å
229	F	80.3	Confident	77.4	Confident	36 Å²	36	54.2 Å²	54.2	16%	0.158	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.7	156.8	60.7	-88	0	0	0	112.3	V189 T193 C241 V278 F280	V189-F229 HydrophobicContact CG1-CD2 3.6Å; V189-F229 HydrophobicContact CG1-CE2 3.51Å; V189-F229 HydrophobicContact CG1-CZ 4.34Å; T193-F229 HydrophobicContact CG2-CB 4.02Å; T193-F229 HydrophobicContact CG2-CD1 3.64Å; T193-F229 HydrophobicContact CG2-CD2 4.45Å; T193-F229 HydrophobicContact CG2-CE1 4.22Å; T193-F229 HydrophobicContact CG2-CG 3.78Å; F229-C241 HydrophobicContact CE2-CB 4.31Å; F229-V278 CarbonylContact C-O 3.57Å; F229-V278 WeakPolarHBondContact CA-O 3.38Å; F229-V278 HydrophobicContact CB-CB 3.95Å; F229-V278 VanDerWaalsContact CB-O 3.29Å; F229-V278 WeakPolarHBondContact CB-O 3.24Å; F229-F280 HydrophobicContact CB-CD2 4.22Å; F229-F280 HydrophobicContact CB-CE2 3.68Å; F229-F280 HydrophobicContact CD2-CD2 4.33Å; F229-F280 HydrophobicContact CD2-CE2 4.03Å; F229-F280 HydrophobicContact CG-CE2 4.09Å
230	I	78.6	Confident	78.1	Confident	30 Å²	30	55.1 Å²	55.1	15%	0.154	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.4	-179.6	61.9	172	0	0	0	110.3	L228 V278 E279 F280	L228-I230 HydrophobicContact CD1-CG2 4.31Å; L228-I230 HydrophobicContact CD2-CG2 3.99Å; L228-I230 HydrophobicContact CG-CG2 4.09Å; I230-V278 PolarHBondContact N-O 2.83Å; I230-E279 HydrophobicContact CD1-CB 4.44Å; I230-E279 HydrophobicContact CD1-CG 4.23Å; I230-E279 HydrophobicContact CG1-CB 4.06Å; I230-E279 HydrophobicContact CG1-CG 4.08Å; I230-F280 PolarHBondContact O-N 3.31Å
231	C	81.8	Confident	79	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.5	174.3	-64.2	0	0	0	0	109.8	I239 C241 F280 I282	C231-I239 HydrophobicContact CB-CG1 4.1Å; C231-I239 WeakPolarHBondContact O-CG1 3.13Å; C231-I239 PolarHBondContact O-N 3.03Å; C231-I239 VanDerWaalsContact O-O 3.08Å; C231-C241 HydrophobicContact CB-CB 4Å; C231-C241 WeakPolarHBondContact CB-SG 3.29Å; C231-C241 PolarHBondContact N-SG 3.32Å; C231-C241 VanDerWaalsContact N-SG 3.43Å; C231-C241 WeakPolarHBondContact SG-CA 3.48Å; C231-C241 WeakPolarHBondContact SG-CB 3.47Å; C231-C241 CovalentContact SG-SG 2.04Å; C231-C241 PolarHBondContact SG-SG 3.08Å; C231-F280 CarbonylContact C-O 3.51Å; C231-F280 WeakPolarHBondContact CA-O 3.43Å; C231-I282 HydrophobicContact CB-CG1 3.83Å
232	K	80.6	Confident	79.5	Confident	30 Å²	30	47.8 Å²	47.8	13%	0.13	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.3	175.1	-69.6	178.6	173.4	174.3	0	110.4	D237 V238 E279 F280 I282	K232-D237 CarbonylContact C-O 3.52Å; K232-D237 WeakPolarHBondContact CA-O 3.4Å; K232-V238 HydrophobicContact CG-CG2 4.42Å; K232-E279 HydrophobicContact CD-CG 4.13Å; K232-E279 WeakPolarHBondContact CE-OE2 3.21Å; K232-E279 IonicContact NZ-OE1 3.05Å; K232-E279 IonicContact NZ-OE2 2.9Å; K232-E279 PolarHBondContact NZ-OE2 3.15Å; K232-F280 PolarHBondContact N-O 2.85Å; K232-I282 PolarHBondContact O-N 3.19Å
233	N	84.2	Confident	79.5	Confident	37 Å²	37	52.3 Å²	52.3	20%	0.198	30%	0.304	C	S	.	.			trans	-83.1	-177.5	165.9	70.3	12.8	0	0	0	110.3	N235 D236 D237 I239	N233-N235 PolarHBondContact O-N 2.82Å; N233-N235 WeakPolarHBondContact OD1-CA 3.29Å; N233-N235 WeakPolarHBondContact OD1-CB 3.38Å; N233-N235 PolarHBondContact OD1-N 3.39Å; N233-D236 PolarHBondContact O-N 2.91Å; N233-D236 PolarHBondContact OD1-N 3.36Å; N233-D237 PolarHBondContact N-O 2.7Å; N233-D237 WeakPolarHBondContact ND2-CB 3.15Å; N233-D237 PolarHBondContact ND2-OD2 2.86Å; N233-D237 PolarHBondContact OD1-N 2.87Å; N233-D237 PolarHBondContact OD1-OD2 3.22Å; N233-I239 HydrophobicContact CB-CD1 4.45Å; N233-I239 HydrophobicContact CB-CG2 4.41Å
234	L	88	Confident	79.4	Confident	115 Å²	115	54.6 Å²	54.6	60%	0.602	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.5	177.5	-68	172.3	0	0	0	114.4	D236 M260 I281 A283	L234-D236 VanDerWaalsContact C-N 3.33Å; L234-M260 HydrophobicContact CD2-SD 4.46Å; L234-I281 HydrophobicContact CD2-CG2 3.76Å; L234-A283 HydrophobicContact CD1-CB 3.84Å; L234-A283 HydrophobicContact CD2-CB 4.24Å; L234-A283 HydrophobicContact CG-CB 3.9Å
235	N	83.7	Confident	79.3	Confident	125 Å²	125	56.9 Å²	56.9	67%	0.668	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	10.8	176.1	-58.2	-20.1	0	0	0	112.1	N233 D237	N233-N235 PolarHBondContact O-N 2.82Å; N233-N235 WeakPolarHBondContact OD1-CA 3.29Å; N233-N235 WeakPolarHBondContact OD1-CB 3.38Å; N233-N235 PolarHBondContact OD1-N 3.39Å; N235-D237 PolarHBondContact O-N 3.46Å
236	D	77.4	Confident	79.4	Confident	105 Å²	105	54.3 Å²	54.3	56%	0.561	32%	0.317	S	S	*	.			trans	64.4	10.2	-172.8	-74.9	-42.3	0	0	0	115.9	N233 L234	N233-D236 PolarHBondContact O-N 2.91Å; N233-D236 PolarHBondContact OD1-N 3.36Å; L234-D236 VanDerWaalsContact C-N 3.33Å
237	D	71.1	Confident	80	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	33%	0.33	S	S	.	.			trans	-71.8	133.4	175.1	-53.3	-56.2	0	0	0	110.7	K232 N233 N235 I239	K232-D237 CarbonylContact C-O 3.52Å; K232-D237 WeakPolarHBondContact CA-O 3.4Å; N233-D237 PolarHBondContact N-O 2.7Å; N233-D237 WeakPolarHBondContact ND2-CB 3.15Å; N233-D237 PolarHBondContact ND2-OD2 2.86Å; N233-D237 PolarHBondContact OD1-N 2.87Å; N233-D237 PolarHBondContact OD1-OD2 3.22Å; N235-D237 PolarHBondContact O-N 3.46Å; D237-I239 PolarHBondContact O-N 3.46Å
238	V	75.8	Confident	81	Confident	66 Å²	66	56.4 Å²	56.4	40%	0.4	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.5	174.5	-177.7	0	0	0	0	110.5	K232 K437	K232-V238 HydrophobicContact CG-CG2 4.42Å; V238-K437 PolarHBondContact O-NZ 2.67Å
239	I	75.6	Confident	82	Confident	57 Å²	57	57.9 Å²	57.9	29%	0.292	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.2	179.9	58.4	163.1	0	0	0	111.1	C231 N233 D237 C241 I282	C231-I239 HydrophobicContact CB-CG1 4.1Å; C231-I239 WeakPolarHBondContact O-CG1 3.13Å; C231-I239 PolarHBondContact O-N 3.03Å; C231-I239 VanDerWaalsContact O-O 3.08Å; N233-I239 HydrophobicContact CB-CD1 4.45Å; N233-I239 HydrophobicContact CB-CG2 4.41Å; D237-I239 PolarHBondContact O-N 3.46Å; I239-C241 PolarHBondContact O-N 2.87Å; I239-I282 HydrophobicContact CD1-CB 4.04Å; I239-I282 HydrophobicContact CD1-CG1 4.48Å; I239-I282 HydrophobicContact CD1-CG2 4.41Å
240	S	79.4	Confident	82.2	Confident	56 Å²	56	60.6 Å²	60.6	39%	0.392	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-63.4	133.7	171.9	-47.3	0	0	0	0	109.8	D435	S240-D435 WeakPolarHBondContact CB-OD2 3.37Å; S240-D435 PolarHBondContact OG-OD2 2.97Å
241	C	82.2	Confident	82.6	Confident	36 Å²	36	65.4 Å²	65.4	24%	0.243	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-66.4	138	178.3	-73.8	0	0	0	0	111.9	F229 C231 I239 T243	F229-C241 HydrophobicContact CE2-CB 4.31Å; C231-C241 HydrophobicContact CB-CB 4Å; C231-C241 WeakPolarHBondContact CB-SG 3.29Å; C231-C241 PolarHBondContact N-SG 3.32Å; C231-C241 VanDerWaalsContact N-SG 3.43Å; C231-C241 WeakPolarHBondContact SG-CA 3.48Å; C231-C241 WeakPolarHBondContact SG-CB 3.47Å; C231-C241 CovalentContact SG-SG 2.04Å; C231-C241 PolarHBondContact SG-SG 3.08Å; I239-C241 PolarHBondContact O-N 2.87Å; C241-T243 PolarHBondContact O-N 2.96Å
242	P	81.9	Confident	82.8	Confident	25 Å²	25	71.9 Å²	71.9	16%	0.162	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-59.8	128.2	174.6	-21.3	31.4	0	0	0	111.5	N257 I282	P242-N257 HydrophobicContact CB-CB 3.98Å; P242-N257 HydrophobicContact CG-CB 3.69Å; P242-I282 HydrophobicContact CG-CD1 4.37Å; P242-I282 HydrophobicContact CG-CG1 4.38Å; P242-I282 HydrophobicContact CG-CG2 3.92Å
243	T	79.2	Confident	83.2	Confident	131 Å²	131	76.4 Å²	76.4	80%	0.804	44%	0.438	S	S	*	.	S	Bend	trans	-86.8	-22.8	177	53.2	0	0	0	0	112.8	C241	C241-T243 PolarHBondContact O-N 2.96Å
244	S	80.2	Confident	83.6	Confident	64 Å²	64	74.7 Å²	74.7	45%	0.448	43%	0.429	S	S	.	.	S	Bend	trans	-103	155.4	174.6	63	0	0	0	0	111.6
245	P	81.8	Confident	83.9	Confident	68 Å²	68	69.2 Å²	69.2	44%	0.442	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-56.2	162.4	168.2	-22.4	33.7	0	0	0	112.7
246	S	86.7	Confident	84.3	Confident	5 Å²	5	65.2 Å²	65.2	4%	0.035	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60.6	141.8	174.5	-178.6	0	0	0	0	110.7	C183 T184 M256	C183-S246 CarbonylContact C-O 3.59Å; C183-S246 WeakPolarHBondContact O-CB 3.38Å; T184-S246 VanDerWaalsContact CA-O 3.25Å; T184-S246 WeakPolarHBondContact CA-O 3.44Å; T184-S246 WeakPolarHBondContact CG2-O 3.49Å; T184-S246 PolarHBondContact N-O 3.07Å; S246-M256 VanDerWaalsContact CA-O 3.29Å; S246-M256 WeakPolarHBondContact CA-O 2.96Å; S246-M256 VanDerWaalsContact CB-O 3.29Å; S246-M256 WeakPolarHBondContact CB-O 3.18Å; S246-M256 PolarHBondContact OG-O 3.44Å
247	S	90.8	Very high	85	Confident	58 Å²	58	63.4 Å²	63.4	41%	0.406	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154	-177.8	62	0	0	0	0	111	C255 M256	S247-C255 CarbonylContact O-C 3.54Å; S247-C255 WeakPolarHBondContact O-CA 3.46Å; S247-M256 PolarHBondContact O-N 2.83Å
248	L	91.9	Very high	86	Confident	44 Å²	44	59.2 Å²	59.2	23%	0.23	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.1	178.1	-179.7	62	0	0	0	110.7	F176 C183	F176-L248 HydrophobicContact CD1-CD1 3.71Å; F176-L248 HydrophobicContact CE1-CD1 4.41Å; C183-L248 HydrophobicContact CB-CB 4.46Å
249	D	91.1	Very high	86.8	Confident	38 Å²	38	56.3 Å²	56.3	20%	0.203	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104	157.5	-177.6	-22.7	0	0	0	107.7	T251 K252 Q253 A254 M256	D249-T251 VanDerWaalsContact C-N 3.28Å; D249-T251 PolarHBondContact O-N 3.16Å; D249-T251 WeakPolarHBondContact OD1-CB 3.35Å; D249-T251 PolarHBondContact OD1-N 3.4Å; D249-K252 HydrophobicContact CB-CB 4.32Å; D249-K252 PolarHBondContact O-N 3.33Å; D249-K252 PolarHBondContact OD1-N 2.93Å; D249-K252 VanDerWaalsContact OD2-CD 3.26Å; D249-K252 WeakPolarHBondContact OD2-CD 3.42Å; D249-K252 WeakPolarHBondContact OD2-CG 3.39Å; D249-K252 IonicContact OD2-NZ 3.94Å; D249-Q253 WeakPolarHBondContact O-CA 3.34Å; D249-Q253 PolarHBondContact O-N 3.03Å; D249-A254 PolarHBondContact N-O 2.81Å; D249-A254 PolarHBondContact O-N 3.24Å; D249-A254 VanDerWaalsContact O-N 3.15Å; D249-M256 HydrophobicContact CB-CG 3.68Å; D249-M256 HydrophobicContact CB-SD 3.99Å
250	S	85.5	Confident	87.6	Confident	94 Å²	94	55.9 Å²	55.9	66%	0.657	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.7	-177.2	53.5	0	0	0	0	112.9
251	T	87	Confident	88.2	Confident	130 Å²	130	53.4 Å²	53.4	80%	0.798	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-43.1	179	-55.2	0	0	0	0	110.8	D249	D249-T251 VanDerWaalsContact C-N 3.28Å; D249-T251 PolarHBondContact O-N 3.16Å; D249-T251 WeakPolarHBondContact OD1-CB 3.35Å; D249-T251 PolarHBondContact OD1-N 3.4Å
252	K	85.9	Confident	88.8	Confident	138 Å²	138	51.9 Å²	51.9	60%	0.6	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.6	179.7	-63.5	-177	-170	165.5	0	113.9	D249 A254	D249-K252 HydrophobicContact CB-CB 4.32Å; D249-K252 PolarHBondContact O-N 3.33Å; D249-K252 PolarHBondContact OD1-N 2.93Å; D249-K252 VanDerWaalsContact OD2-CD 3.26Å; D249-K252 WeakPolarHBondContact OD2-CD 3.42Å; D249-K252 WeakPolarHBondContact OD2-CG 3.39Å; D249-K252 IonicContact OD2-NZ 3.94Å; K252-A254 VanDerWaalsContact C-N 3.26Å; K252-A254 HydrophobicContact CB-CB 4.07Å; K252-A254 PolarHBondContact O-N 3.34Å
253	Q	88.7	Confident	89.3	Confident	124 Å²	124	53.9 Å²	53.9	58%	0.579	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	51.6	-168	-63.8	-168.1	-23.2	0	0	111.6	D249	D249-Q253 WeakPolarHBondContact O-CA 3.34Å; D249-Q253 PolarHBondContact O-N 3.03Å
254	A	92.7	Very high	89.8	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.5	-175.3	0	0	0	0	0	111.5	D249 K252 M256 V285 T286	D249-A254 PolarHBondContact N-O 2.81Å; D249-A254 PolarHBondContact O-N 3.24Å; D249-A254 VanDerWaalsContact O-N 3.15Å; K252-A254 VanDerWaalsContact C-N 3.26Å; K252-A254 HydrophobicContact CB-CB 4.07Å; K252-A254 PolarHBondContact O-N 3.34Å; A254-M256 HydrophobicContact CB-SD 4.4Å; A254-M256 PolarHBondContact O-N 3.39Å; A254-V285 CarbonylContact C-O 3.56Å; A254-V285 VanDerWaalsContact CA-O 3.25Å; A254-V285 WeakPolarHBondContact CA-O 3.28Å; A254-T286 HydrophobicContact CB-CG2 3.84Å
255	C	93.1	Very high	90.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	110	163.6	-62.2	0	0	0	0	108.5	L174 C183 L186 S247 N284 V285	L174-C255 HydrophobicContact CD1-CB 4.34Å; L174-C255 VanDerWaalsContact CD1-SG 3.54Å; C183-C255 VanDerWaalsContact CA-SG 3.5Å; C183-C255 HydrophobicContact CB-CB 3.76Å; C183-C255 WeakPolarHBondContact CB-SG 3.43Å; C183-C255 VanDerWaalsContact SG-CA 3.51Å; C183-C255 WeakPolarHBondContact SG-CB 3.4Å; C183-C255 CovalentContact SG-SG 2.03Å; C183-C255 PolarHBondContact SG-SG 2.88Å; L186-C255 HydrophobicContact CD1-CB 4.26Å; S247-C255 CarbonylContact O-C 3.54Å; S247-C255 WeakPolarHBondContact O-CA 3.46Å; C255-N284 WeakPolarHBondContact O-CA 3.16Å; C255-V285 PolarHBondContact N-O 2.85Å; C255-V285 PolarHBondContact O-N 3.2Å
256	M	93.1	Very high	90.5	Very high	40 Å²	40	42.2 Å²	42.2	20%	0.197	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	143.1	-178.9	-62.1	-62.3	-67.2	0	0	110.6	S246 S247 D249 A254 A258 N284	S246-M256 VanDerWaalsContact CA-O 3.29Å; S246-M256 WeakPolarHBondContact CA-O 2.96Å; S246-M256 VanDerWaalsContact CB-O 3.29Å; S246-M256 WeakPolarHBondContact CB-O 3.18Å; S246-M256 PolarHBondContact OG-O 3.44Å; S247-M256 PolarHBondContact O-N 2.83Å; D249-M256 HydrophobicContact CB-CG 3.68Å; D249-M256 HydrophobicContact CB-SD 3.99Å; A254-M256 HydrophobicContact CB-SD 4.4Å; A254-M256 PolarHBondContact O-N 3.39Å; M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 2.79Å; M256-N284 WeakPolarHBondContact CA-OD1 3.29Å; M256-N284 WeakPolarHBondContact CE-ND2 3.5Å; M256-N284 WeakPolarHBondContact CE-OD1 3.45Å; M256-N284 HydrophobicContact SD-CB 4.07Å; M256-N284 VanDerWaalsContact SD-CG 3.55Å
257	N	90.9	Very high	90.4	Very high	67 Å²	67	42.8 Å²	42.8	36%	0.358	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.8	36.3	174.2	-60.3	-32.6	0	0	0	114.5	P242 I282 N284	P242-N257 HydrophobicContact CB-CB 3.98Å; P242-N257 HydrophobicContact CG-CB 3.69Å; N257-I282 HydrophobicContact CB-CG2 4.16Å; N257-N284 PolarHBondContact N-OD1 2.8Å; N257-N284 VanDerWaalsContact N-OD1 3.08Å
258	A	92.6	Very high	90.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.1	175.9	0	0	0	0	0	110.9	L186 M256 M260 I282 A283 V285	L186-A258 HydrophobicContact CD1-CB 3.69Å; M256-A258 VanDerWaalsContact C-N 3.27Å; M256-A258 PolarHBondContact O-N 2.79Å; A258-M260 PolarHBondContact O-N 3.07Å; A258-I282 WeakPolarHBondContact O-CA 2.84Å; A258-A283 PolarHBondContact N-O 3.08Å; A258-A283 PolarHBondContact O-N 2.86Å; A258-V285 HydrophobicContact CB-CG2 3.76Å
259	V	91.9	Very high	89.6	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	106.3	172.1	-179.5	0	0	0	0	108.5	P187 V189 Y192 V262 F280 I282 Q292	P187-V259 VanDerWaalsContact O-CG2 3.3Å; P187-V259 WeakPolarHBondContact O-CG2 3.43Å; V189-V259 HydrophobicContact CG2-CG2 4.26Å; Y192-V259 HydrophobicContact CE2-CG1 4.25Å; V259-V262 HydrophobicContact CG1-CG2 3.64Å; V259-F280 HydrophobicContact CG1-CD1 3.83Å; V259-I282 HydrophobicContact CB-CD1 4.42Å; V259-I282 HydrophobicContact CG2-CD1 3.79Å; V259-Q292 PolarHBondContact O-NE2 3.12Å
260	M	92.8	Very high	89	Confident	48 Å²	48	49.9 Å²	49.9	24%	0.236	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-28.3	177.1	-77.4	-164.8	57.4	0	0	113.2	L234 A258 I281 A283 V285 F290 Q292 F293	L234-M260 HydrophobicContact CD2-SD 4.46Å; A258-M260 PolarHBondContact O-N 3.07Å; M260-I281 HydrophobicContact CB-CG2 4.43Å; M260-I281 PolarHBondContact N-O 3.15Å; M260-A283 HydrophobicContact CG-CB 3.95Å; M260-A283 HydrophobicContact SD-CB 3.4Å; M260-A283 WeakPolarHBondContact SD-CB 3.3Å; M260-V285 HydrophobicContact CG-CG2 4.1Å; M260-V285 HydrophobicContact SD-CG2 4.04Å; M260-F290 HydrophobicContact CG-CD2 4.1Å; M260-F290 HydrophobicContact CG-CE2 4.12Å; M260-Q292 VanDerWaalsContact O-CA 3.26Å; M260-Q292 WeakPolarHBondContact O-CA 3.39Å; M260-F293 PolarHBondContact O-N 3.34Å
261	G	93.1	Very high	88.7	Confident	5 Å²	5	50.5 Å²	50.5	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.1	-179.1	0	0	0	0	0	111.2	F280 I281 F293	G261-F280 CarbonylContact O-C 3.32Å; G261-F280 VanDerWaalsContact O-CA 3.31Å; G261-F280 WeakPolarHBondContact O-CA 3.33Å; G261-I281 PolarHBondContact N-O 3.35Å; G261-I281 PolarHBondContact O-N 3.25Å; G261-F293 CarbonylContact C-O 3.55Å; G261-F293 WeakPolarHBondContact CA-O 3.41Å
262	V	94.4	Very high	88.6	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.9	171.3	-170.6	0	0	0	0	108	Y192 V259 F264 V278 E279 F280 F293 H294 T295	Y192-V262 HydrophobicContact CD1-CG1 4.13Å; Y192-V262 HydrophobicContact CD1-CG2 4.25Å; Y192-V262 HydrophobicContact CD2-CG2 4.04Å; Y192-V262 HydrophobicContact CE1-CG2 3.98Å; Y192-V262 HydrophobicContact CE2-CG2 3.73Å; Y192-V262 HydrophobicContact CG-CG1 4.17Å; Y192-V262 HydrophobicContact CG-CG2 4.26Å; V259-V262 HydrophobicContact CG1-CG2 3.64Å; V262-F264 HydrophobicContact CG1-CD2 3.96Å; V262-F264 HydrophobicContact CG1-CE2 3.38Å; V262-F264 HydrophobicContact CG1-CZ 4.07Å; V262-V278 HydrophobicContact CG1-CG1 3.7Å; V262-E279 CarbonylContact C-O 3.42Å; V262-E279 WeakPolarHBondContact CA-O 3.21Å; V262-F280 HydrophobicContact CB-CD1 4.44Å; V262-F280 HydrophobicContact CB-CE1 4.33Å; V262-F280 HydrophobicContact CG1-CD1 4.16Å; V262-F280 HydrophobicContact CG1-CE1 3.67Å; V262-F280 HydrophobicContact CG1-CZ 4.33Å; V262-F280 HydrophobicContact CG2-CD1 3.94Å; V262-F280 HydrophobicContact CG2-CE1 3.9Å; V262-F293 PolarHBondContact N-O 3.23Å; V262-H294 CarbonylContact O-C 3.56Å; V262-H294 VanDerWaalsContact O-CA 3.26Å; V262-H294 WeakPolarHBondContact O-CA 2.92Å; V262-T295 PolarHBondContact O-N 2.93Å
263	K	91.9	Very high	88.6	Confident	67 Å²	67	37.8 Å²	37.8	29%	0.291	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.5	178.8	177.5	-179.4	179.4	-176	0	110	V278 E279 T295 Q297	K263-V278 CarbonylContact O-C 3.45Å; K263-V278 WeakPolarHBondContact O-CA 3.31Å; K263-E279 HydrophobicContact CB-CB 4.25Å; K263-E279 PolarHBondContact N-O 3.42Å; K263-E279 PolarHBondContact O-N 3.02Å; K263-T295 CarbonylContact C-O 3.43Å; K263-T295 WeakPolarHBondContact CA-O 3.35Å; K263-T295 HydrophobicContact CG-CG2 4.12Å; K263-Q297 VanDerWaalsContact NZ-OE1 3.13Å
264	F	91	Very high	88.2	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119	169.9	-67.3	-96.3	0	0	0	109.1	F146 L148 Y192 F198 I226 V262 I276 S277 V278 T295 V296 Q297	F146-F264 HydrophobicContact CE1-CD2 4.43Å; F146-F264 HydrophobicContact CE1-CE2 4.46Å; F146-F264 HydrophobicContact CE2-CE1 4.39Å; F146-F264 HydrophobicContact CE2-CZ 4.09Å; F146-F264 HydrophobicContact CZ-CD1 4.26Å; F146-F264 HydrophobicContact CZ-CD2 4.01Å; F146-F264 AromaticContact CZ-CE1 3.89Å; F146-F264 HydrophobicContact CZ-CE1 3.89Å; F146-F264 AromaticContact CZ-CE2 3.62Å; F146-F264 HydrophobicContact CZ-CE2 3.62Å; F146-F264 HydrophobicContact CZ-CG 4.33Å; F146-F264 AromaticContact CZ-CZ 3.57Å; F146-F264 HydrophobicContact CZ-CZ 3.57Å; L148-F264 HydrophobicContact CD2-CE2 4.06Å; Y192-F264 HydrophobicContact CD1-CZ 4.43Å; F198-F264 HydrophobicContact CZ-CE1 4.4Å; I226-F264 HydrophobicContact CD1-CE1 4.32Å; V262-F264 HydrophobicContact CG1-CD2 3.96Å; V262-F264 HydrophobicContact CG1-CE2 3.38Å; V262-F264 HydrophobicContact CG1-CZ 4.07Å; F264-I276 HydrophobicContact CD1-CG2 4.29Å; F264-S277 CarbonylContact C-O 3.47Å; F264-S277 WeakPolarHBondContact CA-O 3.17Å; F264-V278 HydrophobicContact CD1-CG1 4.34Å; F264-V278 HydrophobicContact CD1-CG2 3.5Å; F264-V278 HydrophobicContact CE1-CB 4.5Å; F264-V278 HydrophobicContact CE1-CG1 4.16Å; F264-V278 HydrophobicContact CE1-CG2 3.47Å; F264-V278 VanDerWaalsContact CE1-CG2 3.47Å; F264-V278 HydrophobicContact CE2-CG1 4.34Å; F264-V278 HydrophobicContact CG-CG1 4.5Å; F264-V278 HydrophobicContact CG-CG2 4.3Å; F264-V278 HydrophobicContact CZ-CG1 4.15Å; F264-V278 HydrophobicContact CZ-CG2 4.26Å; F264-T295 PolarHBondContact N-O 2.78Å; F264-V296 HydrophobicContact CB-CG2 4.34Å; F264-V296 CarbonylContact O-C 3.59Å; F264-V296 WeakPolarHBondContact O-CA 3.5Å; F264-Q297 PolarHBondContact O-N 2.91Å
265	S	88.5	Confident	87.7	Confident	18 Å²	18	34.9 Å²	34.9	13%	0.126	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.9	169.3	-53	0	0	0	0	108.4	I276 S277 Q297	S265-I276 WeakPolarHBondContact O-CA 3.39Å; S265-S277 PolarHBondContact N-O 2.97Å; S265-S277 PolarHBondContact O-N 3.23Å; S265-Q297 CarbonylContact C-O 3.59Å; S265-Q297 WeakPolarHBondContact CA-O 3.28Å
266	I	88	Confident	87.4	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.4	-172.7	-59.2	179.2	0	0	0	107.8	L134 I273 I276 V296 Q297 F298 I299	L134-I266 HydrophobicContact CD1-CD1 3.52Å; L134-I266 HydrophobicContact CD2-CD1 4.24Å; I266-I273 HydrophobicContact CG2-CB 4.26Å; I266-I273 HydrophobicContact CG2-CD1 3.64Å; I266-I273 HydrophobicContact CG2-CG1 3.57Å; I266-I273 HydrophobicContact CG2-CG2 3.72Å; I266-I276 HydrophobicContact CG1-CG1 4.34Å; I266-I276 HydrophobicContact CG1-CG2 4.35Å; I266-I276 HydrophobicContact CG2-CG1 4.35Å; I266-V296 HydrophobicContact CD1-CG1 3.74Å; I266-Q297 PolarHBondContact N-O 3.1Å; I266-F298 HydrophobicContact CB-CD1 3.85Å; I266-F298 HydrophobicContact CB-CE1 4.05Å; I266-F298 HydrophobicContact CB-CG 4.4Å; I266-F298 HydrophobicContact CD1-CD1 4.45Å; I266-F298 HydrophobicContact CD1-CE1 3.87Å; I266-F298 HydrophobicContact CD1-CE2 4.4Å; I266-F298 HydrophobicContact CD1-CZ 3.84Å; I266-F298 HydrophobicContact CG2-CD1 3.68Å; I266-F298 HydrophobicContact CG2-CE1 3.69Å; I266-F298 CarbonylContact O-C 3.53Å; I266-F298 VanDerWaalsContact O-CA 3.28Å; I266-F298 WeakPolarHBondContact O-CA 3.31Å; I266-I299 PolarHBondContact O-N 2.9Å
267	I	84.1	Confident	86.9	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.082	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.3	176.6	-56.3	176.2	0	0	0	108.5	I273 T274 N275 I299 E301 L304	I267-I273 CarbonylContact O-C 3.57Å; I267-I273 WeakPolarHBondContact O-CA 3.26Å; I267-T274 WeakPolarHBondContact CG2-OG1 3.42Å; I267-T274 PolarHBondContact O-N 3.06Å; I267-T274 PolarHBondContact O-OG1 3.02Å; I267-N275 HydrophobicContact CB-CB 4.19Å; I267-N275 HydrophobicContact CD1-CB 4.25Å; I267-N275 PolarHBondContact N-O 3.37Å; I267-N275 PolarHBondContact O-N 3.48Å; I267-I299 VanDerWaalsContact CA-O 3.31Å; I267-I299 WeakPolarHBondContact CA-O 3.36Å; I267-E301 HydrophobicContact CG2-CB 4.22Å; I267-L304 HydrophobicContact CD1-CD1 4.05Å; I267-L304 HydrophobicContact CD1-CD2 4.38Å; I267-L304 HydrophobicContact CG1-CD1 4.44Å; I267-L304 HydrophobicContact CG2-CD1 3.75Å
268	Y	84.7	Confident	86.8	Confident	57 Å²	57	31.5 Å²	31.5	22%	0.224	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	156.8	-179.6	76.2	-82.8	0	0	0	112.4	L163 G272 F298 I299 E300 E301	L163-Y268 HydrophobicContact CD1-CE2 4.48Å; L163-Y268 HydrophobicContact CD2-CD1 3.67Å; L163-Y268 HydrophobicContact CD2-CD2 3.69Å; L163-Y268 HydrophobicContact CD2-CE1 3.47Å; L163-Y268 VanDerWaalsContact CD2-CE1 3.47Å; L163-Y268 HydrophobicContact CD2-CE2 3.49Å; L163-Y268 VanDerWaalsContact CD2-CE2 3.49Å; L163-Y268 HydrophobicContact CD2-CG 3.77Å; Y268-G272 WeakPolarHBondContact CA-O 3.42Å; Y268-F298 HydrophobicContact CD1-CB 4.03Å; Y268-F298 HydrophobicContact CD1-CD1 4.39Å; Y268-F298 HydrophobicContact CE1-CB 3.91Å; Y268-I299 VanDerWaalsContact CD1-O 3.28Å; Y268-I299 WeakPolarHBondContact CD1-O 3.49Å; Y268-I299 VanDerWaalsContact CE1-C 3.49Å; Y268-I299 PolarHBondContact N-O 3.04Å; Y268-E300 HydrophobicContact CE1-CB 4.06Å; Y268-E300 HydrophobicContact CE2-CB 4.4Å; Y268-E300 HydrophobicContact CE2-CG 4.28Å; Y268-E300 WeakPolarHBondContact O-CA 3.41Å; Y268-E301 PolarHBondContact O-N 3.23Å
269	N	81.1	Confident	86.5	Confident	40 Å²	40	33.4 Å²	33.4	21%	0.214	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	-167.1	169.7	66.7	17.1	0	0	0	110.5	N271 G272 T274 E301	N269-N271 PolarHBondContact O-N 3.16Å; N269-N271 VanDerWaalsContact O-N 3.11Å; N269-N271 WeakPolarHBondContact OD1-CA 3.04Å; N269-N271 WeakPolarHBondContact OD1-CB 3.16Å; N269-N271 PolarHBondContact OD1-N 2.62Å; N269-G272 PolarHBondContact N-O 2.81Å; N269-G272 PolarHBondContact O-N 3Å; N269-G272 PolarHBondContact OD1-O 3.31Å; N269-T274 HydrophobicContact CB-CG2 4.39Å; N269-T274 VanDerWaalsContact ND2-CG2 3.29Å; N269-T274 WeakPolarHBondContact ND2-CG2 3.08Å; N269-E301 HydrophobicContact CB-CB 4.15Å; N269-E301 WeakPolarHBondContact CB-OE2 3.38Å; N269-E301 PolarHBondContact ND2-OE2 3.4Å
270	E	79.1	Confident	86.5	Confident	192 Å²	192	33.2 Å²	33.2	90%	0.897	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.4	179.6	-59.7	-177.1	175.7	0	0	113.4	G272	E270-G272 VanDerWaalsContact C-N 3.33Å
271	N	78.9	Confident	86.5	Confident	107 Å²	107	33.4 Å²	33.4	57%	0.572	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	3.2	178.9	-63.4	-37.5	0	0	0	113	R200 N269	R200-N271 WeakPolarHBondContact CD-O 3.11Å; R200-N271 WeakPolarHBondContact CG-O 3.16Å; R200-N271 PolarHBondContact NE-O 2.87Å; R200-N271 VanDerWaalsContact NH2-CB 3.27Å; N269-N271 PolarHBondContact O-N 3.16Å; N269-N271 VanDerWaalsContact O-N 3.11Å; N269-N271 WeakPolarHBondContact OD1-CA 3.04Å; N269-N271 WeakPolarHBondContact OD1-CB 3.16Å; N269-N271 PolarHBondContact OD1-N 2.62Å
272	G	83.9	Confident	86.5	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.1	-159.4	-177.2	0	0	0	0	0	113.6	R200 L201 Y268 N269 E270 T274	R200-G272 CarbonylContact O-C 3.38Å; R200-G272 WeakPolarHBondContact O-CA 3.05Å; L201-G272 VanDerWaalsContact CD2-CA 3.44Å; Y268-G272 WeakPolarHBondContact CA-O 3.42Å; N269-G272 PolarHBondContact N-O 2.81Å; N269-G272 PolarHBondContact O-N 3Å; N269-G272 PolarHBondContact OD1-O 3.31Å; E270-G272 VanDerWaalsContact C-N 3.33Å; G272-T274 PolarHBondContact O-N 3.31Å
273	I	86.6	Confident	86.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	131.4	179.6	-60.3	171.1	0	0	0	109.9	L134 F162 R200 V224 I266 I267 I276	L134-I273 HydrophobicContact CD2-CD1 3.97Å; F162-I273 HydrophobicContact CD2-CD1 4.3Å; F162-I273 HydrophobicContact CE2-CD1 3.76Å; F162-I273 HydrophobicContact CE2-CG1 3.68Å; F162-I273 HydrophobicContact CZ-CG1 4.24Å; R200-I273 WeakPolarHBondContact CD-O 3.28Å; R200-I273 VanDerWaalsContact CG-O 3.29Å; R200-I273 WeakPolarHBondContact CG-O 3.36Å; R200-I273 PolarHBondContact NE-O 3.17Å; R200-I273 PolarHBondContact O-N 3.12Å; V224-I273 HydrophobicContact CB-CG2 4.3Å; V224-I273 HydrophobicContact CG1-CG2 4.17Å; V224-I273 HydrophobicContact CG2-CB 4.42Å; V224-I273 HydrophobicContact CG2-CG2 4.26Å; V224-I273 WeakPolarHBondContact CG2-O 3.47Å; I266-I273 HydrophobicContact CG2-CB 4.26Å; I266-I273 HydrophobicContact CG2-CD1 3.64Å; I266-I273 HydrophobicContact CG2-CG1 3.57Å; I266-I273 HydrophobicContact CG2-CG2 3.72Å; I267-I273 CarbonylContact O-C 3.57Å; I267-I273 WeakPolarHBondContact O-CA 3.26Å; I273-I276 HydrophobicContact CG2-CD1 4.04Å; I273-I276 HydrophobicContact CG2-CG1 3.68Å
274	T	80.2	Confident	86.6	Confident	43 Å²	43	34.4 Å²	34.4	26%	0.264	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-34.4	177.4	54.5	0	0	0	0	111.7	I267 N269 G272	I267-T274 WeakPolarHBondContact CG2-OG1 3.42Å; I267-T274 PolarHBondContact O-N 3.06Å; I267-T274 PolarHBondContact O-OG1 3.02Å; N269-T274 HydrophobicContact CB-CG2 4.39Å; N269-T274 VanDerWaalsContact ND2-CG2 3.29Å; N269-T274 WeakPolarHBondContact ND2-CG2 3.08Å; G272-T274 PolarHBondContact O-N 3.31Å
275	N	82.6	Confident	86.7	Confident	22 Å²	22	34.7 Å²	34.7	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150.1	-176.8	-156.2	-33.1	0	0	0	110.7	I267	I267-N275 HydrophobicContact CB-CB 4.19Å; I267-N275 HydrophobicContact CD1-CB 4.25Å; I267-N275 PolarHBondContact N-O 3.37Å; I267-N275 PolarHBondContact O-N 3.48Å
276	I	85.8	Confident	86.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.3	175	-58	176.3	0	0	0	107.5	F198 V224 I226 G227 F264 S265 I266 I273	F198-I276 HydrophobicContact CB-CD1 3.5Å; F198-I276 HydrophobicContact CD1-CD1 4.18Å; F198-I276 HydrophobicContact CD2-CD1 3.35Å; F198-I276 HydrophobicContact CE2-CD1 4.11Å; F198-I276 HydrophobicContact CG-CD1 3.4Å; V224-I276 HydrophobicContact CG1-CD1 4.45Å; V224-I276 HydrophobicContact CG1-CG1 4.29Å; I226-I276 HydrophobicContact CG1-CG2 4.07Å; G227-I276 PolarHBondContact N-O 3.17Å; F264-I276 HydrophobicContact CD1-CG2 4.29Å; S265-I276 WeakPolarHBondContact O-CA 3.39Å; I266-I276 HydrophobicContact CG1-CG1 4.34Å; I266-I276 HydrophobicContact CG1-CG2 4.35Å; I266-I276 HydrophobicContact CG2-CG1 4.35Å; I273-I276 HydrophobicContact CG2-CD1 4.04Å; I273-I276 HydrophobicContact CG2-CG1 3.68Å
277	S	84.1	Confident	87.1	Confident	32 Å²	32	41.7 Å²	41.7	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.1	171.1	61.4	0	0	0	0	110.9	L228 F264 S265	L228-S277 CarbonylContact O-C 3.54Å; L228-S277 VanDerWaalsContact O-CA 3.27Å; L228-S277 WeakPolarHBondContact O-CA 3.14Å; F264-S277 CarbonylContact C-O 3.47Å; F264-S277 WeakPolarHBondContact CA-O 3.17Å; S265-S277 PolarHBondContact N-O 2.97Å; S265-S277 PolarHBondContact O-N 3.23Å
278	V	87.6	Confident	87.5	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.8	179.3	-166.7	0	0	0	0	110.3	I226 L228 F229 I230 V262 K263 F264 F280	I226-V278 HydrophobicContact CD1-CG2 4.06Å; I226-V278 HydrophobicContact CG1-CG2 4.3Å; I226-V278 HydrophobicContact CG2-CG2 3.83Å; L228-V278 PolarHBondContact O-N 3.43Å; F229-V278 CarbonylContact C-O 3.57Å; F229-V278 WeakPolarHBondContact CA-O 3.38Å; F229-V278 HydrophobicContact CB-CB 3.95Å; F229-V278 VanDerWaalsContact CB-O 3.29Å; F229-V278 WeakPolarHBondContact CB-O 3.24Å; I230-V278 PolarHBondContact N-O 2.83Å; V262-V278 HydrophobicContact CG1-CG1 3.7Å; K263-V278 CarbonylContact O-C 3.45Å; K263-V278 WeakPolarHBondContact O-CA 3.31Å; F264-V278 HydrophobicContact CD1-CG1 4.34Å; F264-V278 HydrophobicContact CD1-CG2 3.5Å; F264-V278 HydrophobicContact CE1-CB 4.5Å; F264-V278 HydrophobicContact CE1-CG1 4.16Å; F264-V278 HydrophobicContact CE1-CG2 3.47Å; F264-V278 VanDerWaalsContact CE1-CG2 3.47Å; F264-V278 HydrophobicContact CE2-CG1 4.34Å; F264-V278 HydrophobicContact CG-CG1 4.5Å; F264-V278 HydrophobicContact CG-CG2 4.3Å; F264-V278 HydrophobicContact CZ-CG1 4.15Å; F264-V278 HydrophobicContact CZ-CG2 4.26Å; V278-F280 HydrophobicContact CB-CE2 4.01Å; V278-F280 HydrophobicContact CB-CZ 4.21Å; V278-F280 HydrophobicContact CG1-CD2 4.32Å; V278-F280 HydrophobicContact CG1-CE1 4.01Å; V278-F280 HydrophobicContact CG1-CE2 3.62Å; V278-F280 HydrophobicContact CG1-CZ 3.42Å; V278-F280 VanDerWaalsContact CG1-CZ 3.42Å
279	E	87.1	Confident	87.8	Confident	41 Å²	41	48.4 Å²	48.4	19%	0.192	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.5	173.1	177.5	-179.5	96.5	0	0	109.7	I230 K232 V262 K263	I230-E279 HydrophobicContact CD1-CB 4.44Å; I230-E279 HydrophobicContact CD1-CG 4.23Å; I230-E279 HydrophobicContact CG1-CB 4.06Å; I230-E279 HydrophobicContact CG1-CG 4.08Å; K232-E279 HydrophobicContact CD-CG 4.13Å; K232-E279 WeakPolarHBondContact CE-OE2 3.21Å; K232-E279 IonicContact NZ-OE1 3.05Å; K232-E279 IonicContact NZ-OE2 2.9Å; K232-E279 PolarHBondContact NZ-OE2 3.15Å; V262-E279 CarbonylContact C-O 3.42Å; V262-E279 WeakPolarHBondContact CA-O 3.21Å; K263-E279 HydrophobicContact CB-CB 4.25Å; K263-E279 PolarHBondContact N-O 3.42Å; K263-E279 PolarHBondContact O-N 3.02Å
280	F	92	Very high	88.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.7	176.7	-64.5	-80.2	0	0	0	110.5	V189 Y192 T193 F229 I230 C231 K232 V259 G261 V262 V278 I282	V189-F280 HydrophobicContact CB-CE2 4.49Å; V189-F280 HydrophobicContact CG1-CD2 3.94Å; V189-F280 HydrophobicContact CG1-CE2 3.64Å; V189-F280 HydrophobicContact CG1-CZ 4.07Å; V189-F280 HydrophobicContact CG2-CD1 4.39Å; V189-F280 HydrophobicContact CG2-CD2 4.25Å; V189-F280 HydrophobicContact CG2-CG 4.14Å; Y192-F280 AromaticContact CD2-CE1 3.63Å; Y192-F280 HydrophobicContact CD2-CE1 3.63Å; Y192-F280 HydrophobicContact CD2-CZ 4.36Å; Y192-F280 HydrophobicContact CE2-CE1 4.47Å; Y192-F280 AromaticContact CG-CE1 3.92Å; Y192-F280 HydrophobicContact CG-CE1 3.92Å; Y192-F280 HydrophobicContact CG-CZ 4.37Å; T193-F280 HydrophobicContact CG2-CE2 3.84Å; T193-F280 HydrophobicContact CG2-CZ 3.75Å; F229-F280 HydrophobicContact CB-CD2 4.22Å; F229-F280 HydrophobicContact CB-CE2 3.68Å; F229-F280 HydrophobicContact CD2-CD2 4.33Å; F229-F280 HydrophobicContact CD2-CE2 4.03Å; F229-F280 HydrophobicContact CG-CE2 4.09Å; I230-F280 PolarHBondContact O-N 3.31Å; C231-F280 CarbonylContact C-O 3.51Å; C231-F280 WeakPolarHBondContact CA-O 3.43Å; K232-F280 PolarHBondContact N-O 2.85Å; V259-F280 HydrophobicContact CG1-CD1 3.83Å; G261-F280 CarbonylContact O-C 3.32Å; G261-F280 VanDerWaalsContact O-CA 3.31Å; G261-F280 WeakPolarHBondContact O-CA 3.33Å; V262-F280 HydrophobicContact CB-CD1 4.44Å; V262-F280 HydrophobicContact CB-CE1 4.33Å; V262-F280 HydrophobicContact CG1-CD1 4.16Å; V262-F280 HydrophobicContact CG1-CE1 3.67Å; V262-F280 HydrophobicContact CG1-CZ 4.33Å; V262-F280 HydrophobicContact CG2-CD1 3.94Å; V262-F280 HydrophobicContact CG2-CE1 3.9Å; V278-F280 HydrophobicContact CB-CE2 4.01Å; V278-F280 HydrophobicContact CB-CZ 4.21Å; V278-F280 HydrophobicContact CG1-CD2 4.32Å; V278-F280 HydrophobicContact CG1-CE1 4.01Å; V278-F280 HydrophobicContact CG1-CE2 3.62Å; V278-F280 HydrophobicContact CG1-CZ 3.42Å; V278-F280 VanDerWaalsContact CG1-CZ 3.42Å; F280-I282 HydrophobicContact CB-CD1 3.98Å; F280-I282 HydrophobicContact CB-CG1 4.39Å
281	I	92.2	Very high	89.1	Confident	53 Å²	53	40.4 Å²	40.4	27%	0.272	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.3	166.2	-58.7	174.7	0	0	0	107.2	L234 M260 G261	L234-I281 HydrophobicContact CD2-CG2 3.76Å; M260-I281 HydrophobicContact CB-CG2 4.43Å; M260-I281 PolarHBondContact N-O 3.15Å; G261-I281 PolarHBondContact N-O 3.35Å; G261-I281 PolarHBondContact O-N 3.25Å
282	I	92.9	Very high	89.7	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.3	-179.3	-53.2	-60.1	0	0	0	109	V189 C231 K232 I239 P242 N257 A258 V259 F280	V189-I282 HydrophobicContact CG2-CD1 4.09Å; C231-I282 HydrophobicContact CB-CG1 3.83Å; K232-I282 PolarHBondContact O-N 3.19Å; I239-I282 HydrophobicContact CD1-CB 4.04Å; I239-I282 HydrophobicContact CD1-CG1 4.48Å; I239-I282 HydrophobicContact CD1-CG2 4.41Å; P242-I282 HydrophobicContact CG-CD1 4.37Å; P242-I282 HydrophobicContact CG-CG1 4.38Å; P242-I282 HydrophobicContact CG-CG2 3.92Å; N257-I282 HydrophobicContact CB-CG2 4.16Å; A258-I282 WeakPolarHBondContact O-CA 2.84Å; V259-I282 HydrophobicContact CB-CD1 4.42Å; V259-I282 HydrophobicContact CG2-CD1 3.79Å; F280-I282 HydrophobicContact CB-CD1 3.98Å; F280-I282 HydrophobicContact CB-CG1 4.39Å
283	A	93.6	Very high	90.2	Very high	9 Å²	9	39.9 Å²	39.9	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	164.9	179.2	0	0	0	0	0	112.2	L234 A258 M260	L234-A283 HydrophobicContact CD1-CB 3.84Å; L234-A283 HydrophobicContact CD2-CB 4.24Å; L234-A283 HydrophobicContact CG-CB 3.9Å; A258-A283 PolarHBondContact N-O 3.08Å; A258-A283 PolarHBondContact O-N 2.86Å; M260-A283 HydrophobicContact CG-CB 3.95Å; M260-A283 HydrophobicContact SD-CB 3.4Å; M260-A283 WeakPolarHBondContact SD-CB 3.3Å
284	N	94.1	Very high	90.5	Very high	81 Å²	81	39.9 Å²	39.9	43%	0.433	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.4	170.1	-59.7	-28.9	0	0	0	108.5	C255 M256 N257	C255-N284 WeakPolarHBondContact O-CA 3.16Å; M256-N284 WeakPolarHBondContact CA-OD1 3.29Å; M256-N284 WeakPolarHBondContact CE-ND2 3.5Å; M256-N284 WeakPolarHBondContact CE-OD1 3.45Å; M256-N284 HydrophobicContact SD-CB 4.07Å; M256-N284 VanDerWaalsContact SD-CG 3.55Å; N257-N284 PolarHBondContact N-OD1 2.8Å; N257-N284 VanDerWaalsContact N-OD1 3.08Å
285	V	93.9	Very high	91.1	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.7	-174.9	179.1	0	0	0	0	109.9	L174 A254 C255 A258 M260 F290	L174-V285 HydrophobicContact CD1-CB 4.15Å; L174-V285 HydrophobicContact CD1-CG1 3.6Å; A254-V285 CarbonylContact C-O 3.56Å; A254-V285 VanDerWaalsContact CA-O 3.25Å; A254-V285 WeakPolarHBondContact CA-O 3.28Å; C255-V285 PolarHBondContact N-O 2.85Å; C255-V285 PolarHBondContact O-N 3.2Å; A258-V285 HydrophobicContact CB-CG2 3.76Å; M260-V285 HydrophobicContact CG-CG2 4.1Å; M260-V285 HydrophobicContact SD-CG2 4.04Å; V285-F290 HydrophobicContact CB-CD1 4.45Å; V285-F290 HydrophobicContact CG1-CB 4.07Å; V285-F290 HydrophobicContact CG1-CD1 3.66Å; V285-F290 HydrophobicContact CG1-CE1 4.3Å; V285-F290 HydrophobicContact CG1-CG 4Å; V285-F290 HydrophobicContact CG2-CD1 4.2Å; V285-F290 HydrophobicContact CG2-CD2 4.36Å; V285-F290 HydrophobicContact CG2-CE1 4.33Å; V285-F290 HydrophobicContact CG2-CG 4.2Å; V285-F290 HydrophobicContact CG2-CZ 4.47Å
286	T	93.2	Very high	91.6	Very high	94 Å²	94	38.3 Å²	38.3	58%	0.577	21%	0.206	S	C	*	.			trans	-97.8	-7.3	178.3	53.2	0	0	0	0	113.3	F176 A254	F176-T286 WeakPolarHBondContact CE2-O 3.2Å; A254-T286 HydrophobicContact CB-CG2 3.84Å
287	T	92.6	Very high	91.8	Very high	73 Å²	73	41.5 Å²	41.5	45%	0.448	22%	0.221	S	C	.	.	S	Bend	trans	-96	148.4	-177.9	56	0	0	0	0	111.5	F176 K289	F176-T287 WeakPolarHBondContact CZ-O 3.3Å; T287-K289 WeakPolarHBondContact CB-O 3.34Å; T287-K289 PolarHBondContact O-N 3.25Å; T287-K289 PolarHBondContact OG1-O 2.01Å
288	T	90.8	Very high	92	Very high	82 Å²	82	40.7 Å²	40.7	50%	0.503	21%	0.213	S	C	.	.	S	Bend	trans	-72.4	-9.2	175.9	55.1	0	0	0	0	113.3	T173 L174 F176	T173-T288 CarbonylContact C-O 3.52Å; T173-T288 WeakPolarHBondContact CA-O 3.15Å; L174-T288 PolarHBondContact N-O 3.33Å; F176-T288 HydrophobicContact CD2-CG2 4Å; F176-T288 HydrophobicContact CE2-CG2 3.91Å
289	K	91.8	Very high	91.8	Very high	132 Å²	132	42 Å²	42	57%	0.574	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.9	171.1	-64.3	-174.9	-176.6	179.2	0	109.7	R172 T173 T287	R172-K289 VanDerWaalsContact O-CA 3.28Å; R172-K289 WeakPolarHBondContact O-CA 3.29Å; T173-K289 HydrophobicContact CG2-CG 4.24Å; T287-K289 WeakPolarHBondContact CB-O 3.34Å; T287-K289 PolarHBondContact O-N 3.25Å; T287-K289 PolarHBondContact OG1-O 2.01Å
290	F	93.5	Very high	91.5	Very high	14 Å²	14	43.3 Å²	43.3	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.3	171.5	74.5	-82.6	0	0	0	110.6	R172 L174 L186 M260 V285 Q292	R172-F290 HydrophobicContact CB-CD1 3.83Å; R172-F290 HydrophobicContact CB-CE1 3.43Å; R172-F290 VanDerWaalsContact CB-CE1 3.43Å; R172-F290 HydrophobicContact CB-CE2 4.38Å; R172-F290 HydrophobicContact CB-CG 4.48Å; R172-F290 HydrophobicContact CB-CZ 3.75Å; R172-F290 HydrophobicContact CG-CE1 3.97Å; R172-F290 HydrophobicContact CG-CE2 4.22Å; R172-F290 HydrophobicContact CG-CZ 3.73Å; R172-F290 PolarHBondContact N-O 2.83Å; R172-F290 PolarHBondContact O-N 2.78Å; R172-F290 VanDerWaalsContact O-N 3.15Å; L174-F290 HydrophobicContact CD1-CD1 3.91Å; L174-F290 HydrophobicContact CD1-CE1 3.86Å; L174-F290 HydrophobicContact CD2-CE1 4.39Å; L174-F290 HydrophobicContact CG-CD1 4.33Å; L174-F290 HydrophobicContact CG-CE1 4.15Å; L186-F290 HydrophobicContact CD1-CE1 4.23Å; L186-F290 HydrophobicContact CD1-CZ 4.17Å; L186-F290 HydrophobicContact CD2-CE1 3.97Å; L186-F290 HydrophobicContact CD2-CZ 3.86Å; M260-F290 HydrophobicContact CG-CD2 4.1Å; M260-F290 HydrophobicContact CG-CE2 4.12Å; V285-F290 HydrophobicContact CB-CD1 4.45Å; V285-F290 HydrophobicContact CG1-CB 4.07Å; V285-F290 HydrophobicContact CG1-CD1 3.66Å; V285-F290 HydrophobicContact CG1-CE1 4.3Å; V285-F290 HydrophobicContact CG1-CG 4Å; V285-F290 HydrophobicContact CG2-CD1 4.2Å; V285-F290 HydrophobicContact CG2-CD2 4.36Å; V285-F290 HydrophobicContact CG2-CE1 4.33Å; V285-F290 HydrophobicContact CG2-CG 4.2Å; V285-F290 HydrophobicContact CG2-CZ 4.47Å; F290-Q292 HydrophobicContact CE2-CB 4.13Å
291	D	93.7	Very high	90.7	Very high	50 Å²	50	45 Å²	45	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.4	174.7	-76	-16.1	0	0	0	109.3	K169 T171 F293	K169-D291 HydrophobicContact CD-CB 3.98Å; K169-D291 VanDerWaalsContact CD-OD2 3.32Å; K169-D291 WeakPolarHBondContact CD-OD2 3.41Å; K169-D291 WeakPolarHBondContact CE-OD2 3.18Å; K169-D291 HydrophobicContact CG-CB 4.02Å; K169-D291 IonicContact NZ-OD2 2.8Å; K169-D291 PolarHBondContact NZ-OD2 2.82Å; T171-D291 WeakPolarHBondContact CB-OD1 3.22Å; T171-D291 WeakPolarHBondContact CG2-OD1 3.3Å; T171-D291 PolarHBondContact OG1-OD1 2.77Å; D291-F293 HydrophobicContact CB-CE2 3.96Å; D291-F293 HydrophobicContact CB-CZ 4.26Å
292	Q	92.6	Very high	89.5	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.1	170.8	-171.7	180	52.4	0	0	108.5	C170 R172 V259 M260 F290 H294	C170-Q292 PolarHBondContact N-O 2.8Å; C170-Q292 PolarHBondContact O-N 3.48Å; R172-Q292 HydrophobicContact CG-CB 4.45Å; R172-Q292 VanDerWaalsContact NH2-OE1 3.14Å; V259-Q292 PolarHBondContact O-NE2 3.12Å; M260-Q292 VanDerWaalsContact O-CA 3.26Å; M260-Q292 WeakPolarHBondContact O-CA 3.39Å; F290-Q292 HydrophobicContact CE2-CB 4.13Å; Q292-H294 PolarHBondContact OE1-CE1 2.99Å; Q292-H294 VanDerWaalsContact OE1-CE1 3.25Å; Q292-H294 PolarHBondContact OE1-NE2 2.97Å
293	F	93.7	Very high	88.3	Confident	97 Å²	97	51.1 Å²	51.1	43%	0.425	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.8	-179.3	-68.1	-88.6	0	0	0	111.3	T167 T168 K169 M260 G261 V262 D291	T167-F293 HydrophobicContact CG2-CD1 4.09Å; T168-F293 WeakPolarHBondContact O-CA 3.47Å; K169-F293 HydrophobicContact CB-CD1 4.19Å; K169-F293 HydrophobicContact CB-CE1 4.13Å; K169-F293 HydrophobicContact CD-CD1 4.41Å; K169-F293 HydrophobicContact CD-CE1 3.6Å; K169-F293 HydrophobicContact CD-CZ 3.75Å; K169-F293 HydrophobicContact CG-CD1 4.06Å; K169-F293 HydrophobicContact CG-CE1 3.75Å; K169-F293 HydrophobicContact CG-CZ 4.11Å; M260-F293 PolarHBondContact O-N 3.34Å; G261-F293 CarbonylContact C-O 3.55Å; G261-F293 WeakPolarHBondContact CA-O 3.41Å; V262-F293 PolarHBondContact N-O 3.23Å; D291-F293 HydrophobicContact CB-CE2 3.96Å; D291-F293 HydrophobicContact CB-CZ 4.26Å
294	H	93.7	Very high	86.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.1	174.8	-52.3	77.3	0	0	0	109.5	L148 T167 T168 Y192 V262 Q292	L148-H294 HydrophobicContact CB-CB 4.35Å; L148-H294 HydrophobicContact CD1-CB 3.96Å; L148-H294 HydrophobicContact CD2-CB 4.2Å; L148-H294 HydrophobicContact CG-CB 4.41Å; T167-H294 CarbonylContact C-O 3.6Å; T167-H294 VanDerWaalsContact CA-O 3.26Å; T167-H294 WeakPolarHBondContact CA-O 3.18Å; T168-H294 PolarHBondContact N-O 2.81Å; T168-H294 PolarHBondContact O-N 2.82Å; Y192-H294 AromaticContact CE1-CD2 3.78Å; Y192-H294 AromaticContact CE1-NE2 3.77Å; Y192-H294 AromaticContact CZ-NE2 3.7Å; Y192-H294 PolarHBondContact OH-NE2 2.75Å; V262-H294 CarbonylContact O-C 3.56Å; V262-H294 VanDerWaalsContact O-CA 3.26Å; V262-H294 WeakPolarHBondContact O-CA 2.92Å; Q292-H294 PolarHBondContact OE1-CE1 2.99Å; Q292-H294 VanDerWaalsContact OE1-CE1 3.25Å; Q292-H294 PolarHBondContact OE1-NE2 2.97Å
295	T	92.3	Very high	84.5	Confident	31 Å²	31	50.8 Å²	50.8	19%	0.19	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.5	-178.6	-60.7	0	0	0	0	110.1	I166 T167 V262 K263 F264	I166-T295 CarbonylContact O-C 3.57Å; I166-T295 VanDerWaalsContact O-CA 3.3Å; I166-T295 WeakPolarHBondContact O-CA 3.49Å; T167-T295 WeakPolarHBondContact CG2-OG1 3.37Å; T167-T295 WeakPolarHBondContact OG1-CG2 3.19Å; T167-T295 PolarHBondContact OG1-OG1 2.9Å; V262-T295 PolarHBondContact O-N 2.93Å; K263-T295 CarbonylContact C-O 3.43Å; K263-T295 WeakPolarHBondContact CA-O 3.35Å; K263-T295 HydrophobicContact CG-CG2 4.12Å; F264-T295 PolarHBondContact N-O 2.78Å
296	V	92.4	Very high	82.2	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.9	167.8	-178.9	0	0	0	0	107.4	L134 F146 L148 P160 N165 I166 F264 I266 F298	L134-V296 HydrophobicContact CD1-CG1 4.04Å; F146-V296 HydrophobicContact CE1-CG2 4.21Å; L148-V296 HydrophobicContact CD1-CG2 3.62Å; P160-V296 HydrophobicContact CB-CG1 4.48Å; P160-V296 HydrophobicContact CB-CG2 4.15Å; P160-V296 HydrophobicContact CG-CG2 3.84Å; N165-V296 CarbonylContact C-O 3.53Å; N165-V296 WeakPolarHBondContact CA-O 3.48Å; I166-V296 HydrophobicContact CG2-CB 4.25Å; I166-V296 PolarHBondContact N-O 2.82Å; I166-V296 PolarHBondContact O-N 2.72Å; F264-V296 HydrophobicContact CB-CG2 4.34Å; F264-V296 CarbonylContact O-C 3.59Å; F264-V296 WeakPolarHBondContact O-CA 3.5Å; I266-V296 HydrophobicContact CD1-CG1 3.74Å; V296-F298 HydrophobicContact CG1-CD2 4.35Å; V296-F298 HydrophobicContact CG1-CE2 3.78Å; V296-F298 HydrophobicContact CG1-CZ 4.34Å
297	Q	90.7	Very high	79.8	Confident	67 Å²	67	56 Å²	56	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.7	-178.1	-176.4	174.1	24.2	0	0	109.7	K263 F264 S265 I266 I299	K263-Q297 VanDerWaalsContact NZ-OE1 3.13Å; F264-Q297 PolarHBondContact O-N 2.91Å; S265-Q297 CarbonylContact C-O 3.59Å; S265-Q297 WeakPolarHBondContact CA-O 3.28Å; I266-Q297 PolarHBondContact N-O 3.1Å; Q297-I299 HydrophobicContact CG-CG1 4.15Å
298	F	87.6	Confident	77.5	Confident	14 Å²	14	57.9 Å²	57.9	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.9	172.1	-67.1	-94.9	0	0	0	110.1	L134 K161 F162 L163 N164 N165 I266 Y268 V296	L134-F298 HydrophobicContact CD1-CZ 3.89Å; L134-F298 HydrophobicContact CD2-CE1 4.15Å; L134-F298 HydrophobicContact CD2-CZ 3.84Å; L134-F298 HydrophobicContact CG-CZ 4.03Å; K161-F298 WeakPolarHBondContact O-CE2 3.44Å; F162-F298 HydrophobicContact CD2-CE1 4.34Å; L163-F298 HydrophobicContact CD2-CB 4.2Å; L163-F298 HydrophobicContact CD2-CD1 3.94Å; L163-F298 HydrophobicContact CD2-CG 4.22Å; N164-F298 WeakPolarHBondContact O-CE2 3.39Å; N165-F298 PolarHBondContact OD1-N 2.89Å; I266-F298 HydrophobicContact CB-CD1 3.85Å; I266-F298 HydrophobicContact CB-CE1 4.05Å; I266-F298 HydrophobicContact CB-CG 4.4Å; I266-F298 HydrophobicContact CD1-CD1 4.45Å; I266-F298 HydrophobicContact CD1-CE1 3.87Å; I266-F298 HydrophobicContact CD1-CE2 4.4Å; I266-F298 HydrophobicContact CD1-CZ 3.84Å; I266-F298 HydrophobicContact CG2-CD1 3.68Å; I266-F298 HydrophobicContact CG2-CE1 3.69Å; I266-F298 CarbonylContact O-C 3.53Å; I266-F298 VanDerWaalsContact O-CA 3.28Å; I266-F298 WeakPolarHBondContact O-CA 3.31Å; Y268-F298 HydrophobicContact CD1-CB 4.03Å; Y268-F298 HydrophobicContact CD1-CD1 4.39Å; Y268-F298 HydrophobicContact CE1-CB 3.91Å; V296-F298 HydrophobicContact CG1-CD2 4.35Å; V296-F298 HydrophobicContact CG1-CE2 3.78Å; V296-F298 HydrophobicContact CG1-CZ 4.34Å
299	I	83.4	Confident	75	Confident	32 Å²	32	59.9 Å²	59.9	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.6	-178.4	-54.4	174.1	0	0	0	107.8	I266 I267 Y268 Q297 L304	I266-I299 PolarHBondContact O-N 2.9Å; I267-I299 VanDerWaalsContact CA-O 3.31Å; I267-I299 WeakPolarHBondContact CA-O 3.36Å; Y268-I299 VanDerWaalsContact CD1-O 3.28Å; Y268-I299 WeakPolarHBondContact CD1-O 3.49Å; Y268-I299 VanDerWaalsContact CE1-C 3.49Å; Y268-I299 PolarHBondContact N-O 3.04Å; Q297-I299 HydrophobicContact CG-CG1 4.15Å; I299-L304 HydrophobicContact CG2-CD2 3.94Å; I299-L304 HydrophobicContact CG2-CG 3.97Å
300	E	81.2	Confident	72.6	Confident	68 Å²	68	57.1 Å²	57.1	32%	0.318	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134.7	175	-168.1	-171.1	167	0	0	110	Y268 N302 N303	Y268-E300 HydrophobicContact CE1-CB 4.06Å; Y268-E300 HydrophobicContact CE2-CB 4.4Å; Y268-E300 HydrophobicContact CE2-CG 4.28Å; Y268-E300 WeakPolarHBondContact O-CA 3.41Å; E300-N302 HydrophobicContact CG-CB 4.49Å; E300-N302 PolarHBondContact O-N 2.76Å; E300-N302 VanDerWaalsContact O-N 3.17Å; E300-N302 PolarHBondContact OE1-ND2 3.37Å; E300-N303 PolarHBondContact O-N 2.95Å; E300-N303 PolarHBondContact OE2-ND2 2.82Å
301	E	74	Confident	70.2	Confident	34 Å²	34	62.5 Å²	62.5	16%	0.159	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-55.8	-36.8	-175.2	-169.4	172.8	-163.9	0	0	112.9	I267 Y268 N269 N303 L304	I267-E301 HydrophobicContact CG2-CB 4.22Å; Y268-E301 PolarHBondContact O-N 3.23Å; N269-E301 HydrophobicContact CB-CB 4.15Å; N269-E301 WeakPolarHBondContact CB-OE2 3.38Å; N269-E301 PolarHBondContact ND2-OE2 3.4Å; E301-N303 VanDerWaalsContact C-N 3.33Å; E301-N303 PolarHBondContact O-N 3.25Å; E301-L304 HydrophobicContact CB-CD1 4.48Å; E301-L304 HydrophobicContact CG-CD1 4.3Å; E301-L304 WeakPolarHBondContact O-CB 3.17Å; E301-L304 WeakPolarHBondContact O-CD1 3.44Å; E301-L304 PolarHBondContact O-N 2.95Å
302	N	68.8	Low	67.8	Low	102 Å²	102	62.1 Å²	62.1	55%	0.545	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-65.7	-33.5	179.2	-63.1	-32.2	0	0	0	113.1	E300 L304 S305	E300-N302 HydrophobicContact CG-CB 4.49Å; E300-N302 PolarHBondContact O-N 2.76Å; E300-N302 VanDerWaalsContact O-N 3.17Å; E300-N302 PolarHBondContact OE1-ND2 3.37Å; N302-L304 PolarHBondContact O-N 3.17Å; N302-S305 PolarHBondContact O-N 3.35Å; N302-S305 PolarHBondContact O-OG 2.71Å
303	N	66.5	Low	65.8	Low	86 Å²	86	63.8 Å²	63.8	46%	0.46	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-75.8	-13.7	-178.6	-73.2	-35	0	0	0	112.9	E300 E301 S305 N306	E300-N303 PolarHBondContact O-N 2.95Å; E300-N303 PolarHBondContact OE2-ND2 2.82Å; E301-N303 VanDerWaalsContact C-N 3.33Å; E301-N303 PolarHBondContact O-N 3.25Å; N303-S305 PolarHBondContact O-N 3.24Å; N303-N306 PolarHBondContact O-N 3.24Å
304	L	58.4	Low	63.9	Low	6 Å²	6	61.5 Å²	61.5	3%	0.031	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-68.5	-21.8	176.8	-67.7	152.7	0	0	0	112.4	I267 I299 E301 N302 N306 I307 L310 R361	I267-L304 HydrophobicContact CD1-CD1 4.05Å; I267-L304 HydrophobicContact CD1-CD2 4.38Å; I267-L304 HydrophobicContact CG1-CD1 4.44Å; I267-L304 HydrophobicContact CG2-CD1 3.75Å; I299-L304 HydrophobicContact CG2-CD2 3.94Å; I299-L304 HydrophobicContact CG2-CG 3.97Å; E301-L304 HydrophobicContact CB-CD1 4.48Å; E301-L304 HydrophobicContact CG-CD1 4.3Å; E301-L304 WeakPolarHBondContact O-CB 3.17Å; E301-L304 WeakPolarHBondContact O-CD1 3.44Å; E301-L304 PolarHBondContact O-N 2.95Å; N302-L304 PolarHBondContact O-N 3.17Å; L304-N306 PolarHBondContact O-N 3.12Å; L304-I307 PolarHBondContact O-N 2.79Å; L304-L310 HydrophobicContact CD2-CD1 3.67Å; L304-R361 PolarHBondContact O-NH2 3.47Å
305	S	50.4	Low	62.5	Low	76 Å²	76	62.4 Å²	62.4	53%	0.531	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-61.6	-30.7	178.5	-27.8	0	0	0	0	112.4	N302 N303	N302-S305 PolarHBondContact O-N 3.35Å; N302-S305 PolarHBondContact O-OG 2.71Å; N303-S305 PolarHBondContact O-N 3.24Å
306	N	45.6	Very low	61.7	Low	142 Å²	142	62.3 Å²	62.3	76%	0.759	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-89.4	-6.9	-179.2	-69.6	-11.3	0	0	0	112.9	N303 L304 S308	N303-N306 PolarHBondContact O-N 3.24Å; L304-N306 PolarHBondContact O-N 3.12Å; N306-S308 PolarHBondContact O-N 3.23Å
307	I	43	Very low	61.3	Low	67 Å²	67	62.3 Å²	62.3	34%	0.344	35%	0.349	S	S	.	.			trans	-97.9	70.6	177	-49.4	173.5	0	0	0	108	L304 T309 L310	L304-I307 PolarHBondContact O-N 2.79Å; I307-T309 PolarHBondContact O-N 2.81Å; I307-L310 HydrophobicContact CG2-CD1 4.27Å; I307-L310 HydrophobicContact CG2-CG 3.83Å; I307-L310 PolarHBondContact O-N 3.19Å
308	S	43.3	Very low	60.6	Low	113 Å²	113	59.3 Å²	59.3	79%	0.79	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	3.3	175.3	-51.5	0	0	0	0	113.8	N306	N306-S308 PolarHBondContact O-N 3.23Å
309	T	39.2	Very low	60	Low	124 Å²	124	62.3 Å²	62.3	76%	0.761	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	20.1	-177.9	59.9	0	0	0	0	113.7	I307 I311	I307-T309 PolarHBondContact O-N 2.81Å; T309-I311 VanDerWaalsContact C-N 3.27Å; T309-I311 PolarHBondContact O-N 3.24Å
310	L	41	Very low	59.1	Low	74 Å²	74	63.2 Å²	63.2	39%	0.387	36%	0.361	S	S	.	.			trans	-70	98	156	-75.9	167.6	0	0	0	106.6	L304 I307 A312	L304-L310 HydrophobicContact CD2-CD1 3.67Å; I307-L310 HydrophobicContact CG2-CD1 4.27Å; I307-L310 HydrophobicContact CG2-CG 3.83Å; I307-L310 PolarHBondContact O-N 3.19Å; L310-A312 PolarHBondContact O-N 3.43Å; L310-A312 VanDerWaalsContact O-N 3.11Å
311	I	41.9	Very low	59.1	Low	128 Å²	128	60 Å²	60	66%	0.656	35%	0.347	S	S	*	.			trans	-35.4	121.7	159.6	-61.4	166	0	0	0	105.6	T309 T313	T309-I311 VanDerWaalsContact C-N 3.27Å; T309-I311 PolarHBondContact O-N 3.24Å; I311-T313 VanDerWaalsContact C-N 3.29Å; I311-T313 WeakPolarHBondContact O-CG2 3.29Å; I311-T313 PolarHBondContact O-N 2.8Å
312	A	44.8	Very low	59.6	Low	42 Å²	42	58.5 Å²	58.5	35%	0.347	34%	0.34	S	S	.	.			trans	-49.5	103.2	176.9	0	0	0	0	0	106.8	L310 D314 G360 N363	L310-A312 PolarHBondContact O-N 3.43Å; L310-A312 VanDerWaalsContact O-N 3.11Å; A312-D314 PolarHBondContact O-N 2.92Å; A312-G360 WeakPolarHBondContact CB-O 3.48Å; A312-N363 HydrophobicContact CB-CB 4.18Å
313	T	50.1	Low	60.2	Low	36 Å²	36	57.7 Å²	57.7	22%	0.221	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.7	-175.3	40.6	0	0	0	0	105.1	I311 Y315 R361 N363	I311-T313 VanDerWaalsContact C-N 3.29Å; I311-T313 WeakPolarHBondContact O-CG2 3.29Å; I311-T313 PolarHBondContact O-N 2.8Å; T313-Y315 VanDerWaalsContact C-N 3.34Å; T313-Y315 VanDerWaalsContact O-CD2 3.23Å; T313-Y315 WeakPolarHBondContact O-CD2 2.88Å; T313-Y315 PolarHBondContact O-N 3.44Å; T313-Y315 WeakPolarHBondContact OG1-CE2 3.4Å; T313-R361 PolarHBondContact N-O 3.06Å; T313-R361 VanDerWaalsContact N-O 3.12Å; T313-R361 PolarHBondContact OG1-O 2.88Å; T313-N363 PolarHBondContact O-N 3.45Å
314	D	54.4	Low	60.8	Low	49 Å²	49	60.5 Å²	60.5	26%	0.262	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	95.7	179.1	-75.9	-17.9	0	0	0	108	L228 A312 M345 N363	L228-D314 WeakPolarHBondContact CD1-O 3.5Å; L228-D314 WeakPolarHBondContact CD2-O 3.39Å; A312-D314 PolarHBondContact O-N 2.92Å; D314-M345 HydrophobicContact CB-CE 4.08Å; D314-M345 WeakPolarHBondContact OD1-CE 3.47Å; D314-M345 VanDerWaalsContact OD2-CE 3.24Å; D314-M345 WeakPolarHBondContact OD2-CE 3.37Å; D314-N363 CarbonylContact C-O 3.51Å; D314-N363 VanDerWaalsContact CA-O 3.32Å; D314-N363 WeakPolarHBondContact CA-O 3.13Å
315	Y	64	Low	62	Low	18 Å²	18	62.6 Å²	62.6	7%	0.071	36%	0.358	C	S	.	.			trans	-74	140.1	176.5	-83.6	-102.7	0	0	0	109.7	L228 T313 R329 I362 N363 F364	L228-Y315 HydrophobicContact CB-CD1 4.33Å; L228-Y315 HydrophobicContact CB-CE1 4.45Å; L228-Y315 HydrophobicContact CD2-CD2 4.3Å; L228-Y315 HydrophobicContact CD2-CE2 4.49Å; L228-Y315 HydrophobicContact CD2-CG 4.34Å; T313-Y315 VanDerWaalsContact C-N 3.34Å; T313-Y315 VanDerWaalsContact O-CD2 3.23Å; T313-Y315 WeakPolarHBondContact O-CD2 2.88Å; T313-Y315 PolarHBondContact O-N 3.44Å; T313-Y315 WeakPolarHBondContact OG1-CE2 3.4Å; Y315-R329 PolarHBondContact O-NH1 2.9Å; Y315-I362 HydrophobicContact CD1-CG2 4.38Å; Y315-I362 HydrophobicContact CD2-CB 3.76Å; Y315-I362 HydrophobicContact CD2-CD1 4.36Å; Y315-I362 HydrophobicContact CD2-CG1 3.8Å; Y315-I362 HydrophobicContact CD2-CG2 3.36Å; Y315-I362 HydrophobicContact CE1-CD1 4.46Å; Y315-I362 HydrophobicContact CE2-CB 3.98Å; Y315-I362 HydrophobicContact CE2-CD1 4.08Å; Y315-I362 HydrophobicContact CE2-CG1 3.5Å; Y315-I362 VanDerWaalsContact CE2-CG1 3.5Å; Y315-I362 HydrophobicContact CE2-CG2 4.02Å; Y315-I362 HydrophobicContact CG-CB 4.42Å; Y315-I362 HydrophobicContact CG-CG2 3.57Å; Y315-N363 PolarHBondContact N-O 3.02Å; Y315-F364 VanDerWaalsContact CB-CE1 3.47Å; Y315-F364 HydrophobicContact CD1-CZ 4.25Å; Y315-F364 HydrophobicContact CG-CE1 4.48Å; Y315-F364 HydrophobicContact CG-CE2 4.49Å; Y315-F364 HydrophobicContact CG-CZ 4.22Å; Y315-F364 VanDerWaalsContact O-CD1 3.31Å; Y315-F364 WeakPolarHBondContact O-CD1 3.47Å
316	L	74.9	Confident	63.6	Low	30 Å²	30	63.1 Å²	63.1	16%	0.157	35%	0.349	C	S	.	.			trans	-93.4	135	-179.9	-53.5	177.5	0	0	0	109.7	L228 G318 F364 G432 N433	L228-L316 HydrophobicContact CD1-CD1 4.17Å; L228-L316 HydrophobicContact CD1-CD2 4.5Å; L228-L316 HydrophobicContact CD1-CG 3.76Å; L316-G318 PolarHBondContact O-N 3.4Å; L316-G318 VanDerWaalsContact O-N 3.11Å; L316-F364 WeakPolarHBondContact O-CE1 3.04Å; L316-G432 CarbonylContact C-O 3.56Å; L316-G432 WeakPolarHBondContact CA-O 3.1Å; L316-G432 WeakPolarHBondContact CB-O 2.98Å; L316-N433 HydrophobicContact CD1-CB 3.79Å; L316-N433 HydrophobicContact CD2-CB 4.05Å; L316-N433 HydrophobicContact CG-CB 4.31Å
317	S	83.5	Confident	65.6	Low	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-76.9	12	172.1	-53.8	0	0	0	0	112.6	L323 P327 F364 G432	S317-L323 PolarHBondContact O-N 2.97Å; S317-P327 WeakPolarHBondContact CB-O 3.43Å; S317-P327 PolarHBondContact OG-O 3.02Å; S317-F364 WeakPolarHBondContact OG-CD1 3.39Å; S317-G432 PolarHBondContact N-O 3.43Å
318	G	76.2	Confident	68	Low	5 Å²	5	53.1 Å²	53.1	5%	0.052	30%	0.297	C	S	.	.	S	Bend	trans	143.9	170.5	178.3	0	0	0	0	0	112.2	L316 G321 G432 N433	L316-G318 PolarHBondContact O-N 3.4Å; L316-G318 VanDerWaalsContact O-N 3.11Å; G318-G321 CarbonylContact C-O 3.59Å; G318-G321 VanDerWaalsContact C-O 3.32Å; G318-G321 WeakPolarHBondContact CA-O 3.4Å; G318-G432 CarbonylContact O-C 3.58Å; G318-G432 WeakPolarHBondContact O-CA 3.29Å; G318-N433 WeakPolarHBondContact O-CB 3.31Å; G318-N433 PolarHBondContact O-N 3.33Å; G318-N433 VanDerWaalsContact O-N 3.12Å
319	N	75.4	Confident	70.3	Confident	76 Å²	76	48 Å²	48	41%	0.406	26%	0.26	S	S	.	.	S	Bend	trans	-146.5	113.3	-177.7	-177	27	0	0	0	112.2	G321 N433	N319-G321 PolarHBondContact N-O 3.36Å; N319-N433 PolarHBondContact OD1-ND2 2.87Å
320	P	65.8	Low	72.9	Confident	51 Å²	51	42 Å²	42	33%	0.331	22%	0.223	S	C	.	.	S	Bend	cis	-74.5	-28.6	-16.1	32	-33.8	0	0	0	111.8	W431 G432 Q489	P320-W431 HydrophobicContact CB-CD2 4.45Å; P320-W431 HydrophobicContact CB-CE3 4.17Å; P320-W431 WeakPolarHBondContact O-CB 3.36Å; P320-G432 PolarHBondContact O-N 2.87Å; P320-Q489 HydrophobicContact CG-CB 4.11Å; P320-Q489 HydrophobicContact CG-CG 3.84Å
321	G	79.4	Confident	75.4	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-69.6	148.9	-174.6	0	0	0	0	0	113.6	G318 N319 L323 N490	G318-G321 CarbonylContact C-O 3.59Å; G318-G321 VanDerWaalsContact C-O 3.32Å; G318-G321 WeakPolarHBondContact CA-O 3.4Å; N319-G321 PolarHBondContact N-O 3.36Å; G321-L323 PolarHBondContact O-N 3.17Å; G321-N490 CarbonylContact C-O 3.59Å; G321-N490 WeakPolarHBondContact CA-O 3.45Å
322	Y	85.2	Confident	77.8	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.008	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-61.5	133	169.1	-82.2	-85.1	0	0	0	111.6	I328 R329 F387 G429 N490 I492	Y322-I328 HydrophobicContact CE1-CD1 4.33Å; Y322-R329 HydrophobicContact CE1-CG 4.14Å; Y322-R329 PolarHBondContact OH-N 3.47Å; Y322-F387 VanDerWaalsContact CB-CD2 3.48Å; Y322-F387 VanDerWaalsContact CB-CG 3.44Å; Y322-F387 HydrophobicContact CD1-CB 4.1Å; Y322-F387 HydrophobicContact CD1-CD2 4.01Å; Y322-F387 HydrophobicContact CD1-CG 4.13Å; Y322-F387 HydrophobicContact CD2-CD2 4.11Å; Y322-F387 HydrophobicContact CD2-CE2 4.2Å; Y322-F387 HydrophobicContact CG-CB 4.41Å; Y322-F387 AromaticContact CG-CD2 3.62Å; Y322-F387 HydrophobicContact CG-CD2 3.62Å; Y322-F387 HydrophobicContact CG-CE2 4.04Å; Y322-F387 AromaticContact CG-CG 3.93Å; Y322-F387 HydrophobicContact CG-CG 3.93Å; Y322-G429 VanDerWaalsContact CE2-O 3.29Å; Y322-G429 WeakPolarHBondContact CE2-O 3.23Å; Y322-G429 PolarHBondContact OH-O 2.73Å; Y322-N490 PolarHBondContact N-O 2.94Å; Y322-N490 WeakPolarHBondContact O-CB 3.07Å; Y322-N490 PolarHBondContact O-ND2 2.94Å; Y322-I492 HydrophobicContact CD2-CD1 4.2Å; Y322-I492 HydrophobicContact CD2-CG1 4.1Å; Y322-I492 HydrophobicContact CE2-CD1 3.51Å; Y322-I492 HydrophobicContact CE2-CG1 3.75Å
323	L	80.9	Confident	79.9	Confident	84 Å²	84	37.7 Å²	37.7	44%	0.44	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-84.8	137.7	170.2	-63.4	175.2	0	0	0	109.6	S317 G321 S325 Y326	S317-L323 PolarHBondContact O-N 2.97Å; G321-L323 PolarHBondContact O-N 3.17Å; L323-S325 PolarHBondContact O-N 3.17Å; L323-Y326 HydrophobicContact CB-CD2 3.36Å; L323-Y326 HydrophobicContact CB-CE2 3.72Å; L323-Y326 HydrophobicContact CB-CG 3.9Å; L323-Y326 HydrophobicContact CD1-CD2 4.25Å; L323-Y326 HydrophobicContact CD1-CE1 4.31Å; L323-Y326 HydrophobicContact CD1-CE2 3.89Å; L323-Y326 HydrophobicContact CG-CD2 4.45Å; L323-Y326 HydrophobicContact CG-CE2 4.47Å; L323-Y326 WeakPolarHBondContact O-CB 3.24Å; L323-Y326 PolarHBondContact O-N 2.84Å
324	K	80.4	Confident	81.3	Confident	146 Å²	146	39 Å²	39	64%	0.635	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	138.2	176.6	-171.3	178.1	-179	178.8	0	110.2	Y326	K324-Y326 VanDerWaalsContact C-N 3.25Å; K324-Y326 PolarHBondContact O-N 2.73Å
325	S	82.5	Confident	81.8	Confident	49 Å²	49	44.4 Å²	44.4	34%	0.343	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	9.9	-179.7	-40.8	0	0	0	0	115.4	L323 F387 Q389	L323-S325 PolarHBondContact O-N 3.17Å; S325-F387 PolarHBondContact N-O 3.18Å; S325-Q389 VanDerWaalsContact CB-NE2 3.25Å; S325-Q389 PolarHBondContact OG-NE2 3.35Å
326	Y	83.4	Confident	81.4	Confident	87 Å²	87	47.2 Å²	47.2	34%	0.341	24%	0.242	S	C	.	.	S	Bend	trans	-93.8	154.1	169.8	-77	-111.3	0	0	0	110.9	L323 K324 F364 L386 F387	L323-Y326 HydrophobicContact CB-CD2 3.36Å; L323-Y326 HydrophobicContact CB-CE2 3.72Å; L323-Y326 HydrophobicContact CB-CG 3.9Å; L323-Y326 HydrophobicContact CD1-CD2 4.25Å; L323-Y326 HydrophobicContact CD1-CE1 4.31Å; L323-Y326 HydrophobicContact CD1-CE2 3.89Å; L323-Y326 HydrophobicContact CG-CD2 4.45Å; L323-Y326 HydrophobicContact CG-CE2 4.47Å; L323-Y326 WeakPolarHBondContact O-CB 3.24Å; L323-Y326 PolarHBondContact O-N 2.84Å; K324-Y326 VanDerWaalsContact C-N 3.25Å; K324-Y326 PolarHBondContact O-N 2.73Å; Y326-F364 HydrophobicContact CD1-CE1 4.05Å; Y326-F364 HydrophobicContact CD1-CZ 4.34Å; Y326-L386 CarbonylContact O-C 3.53Å; Y326-L386 WeakPolarHBondContact O-CA 3.34Å; Y326-F387 PolarHBondContact O-N 2.99Å
327	P	88.7	Confident	80.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-60.3	145.2	-177.6	-24.6	35.8	0	0	0	113.5	S317 F364 W366 T384 I385 L386	S317-P327 WeakPolarHBondContact CB-O 3.43Å; S317-P327 PolarHBondContact OG-O 3.02Å; P327-F364 HydrophobicContact CB-CB 3.92Å; P327-F364 HydrophobicContact CB-CD2 4.49Å; P327-F364 HydrophobicContact CB-CG 4.2Å; P327-F364 HydrophobicContact CG-CB 4.13Å; P327-F364 HydrophobicContact CG-CD1 4.41Å; P327-F364 HydrophobicContact CG-CD2 3.76Å; P327-F364 HydrophobicContact CG-CE2 4.19Å; P327-F364 HydrophobicContact CG-CG 3.88Å; P327-W366 HydrophobicContact CB-CE3 4.03Å; P327-W366 HydrophobicContact CB-CZ3 4.01Å; P327-W366 HydrophobicContact CG-CE3 3.97Å; P327-W366 HydrophobicContact CG-CH2 3.95Å; P327-W366 HydrophobicContact CG-CZ3 3.42Å; P327-W366 VanDerWaalsContact CG-CZ3 3.42Å; P327-T384 HydrophobicContact CB-CG2 4.3Å; P327-T384 HydrophobicContact CG-CG2 4.39Å; P327-I385 WeakPolarHBondContact CA-O 3.35Å; P327-L386 HydrophobicContact CG-CD2 4.29Å
328	I	92.8	Very high	79.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-71.5	127.5	167.4	-65	-70.2	0	0	0	109	Y322 A330 W367 I385 F387 V428 I477 I492 F533	Y322-I328 HydrophobicContact CE1-CD1 4.33Å; I328-A330 PolarHBondContact O-N 2.8Å; I328-W367 HydrophobicContact CG2-CE3 4.14Å; I328-I385 HydrophobicContact CB-CB 4.45Å; I328-I385 HydrophobicContact CB-CG2 4.47Å; I328-I385 HydrophobicContact CG1-CB 4.17Å; I328-I385 HydrophobicContact CG1-CG2 3.69Å; I328-I385 PolarHBondContact N-O 3.01Å; I328-F387 HydrophobicContact CD1-CB 3.92Å; I328-F387 HydrophobicContact CD1-CD2 3.72Å; I328-F387 HydrophobicContact CD1-CG 4.32Å; I328-V428 HydrophobicContact CG2-CG1 3.57Å; I328-I477 HydrophobicContact CD1-CD1 4.27Å; I328-I477 HydrophobicContact CG1-CD1 4.13Å; I328-I492 HydrophobicContact CD1-CD1 3.68Å; I328-I492 HydrophobicContact CG2-CD1 4.26Å; I328-F533 HydrophobicContact CD1-CE1 3.86Å; I328-F533 HydrophobicContact CD1-CZ 3.87Å; I328-F533 HydrophobicContact CG1-CZ 4.07Å
329	R	92.5	Very high	79.3	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.015	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-71.8	116.4	176.9	-54.7	-175.6	62.3	79.2	-17.8	109.5	Y315 Y322 M345 F364 G365 V428 G429 G432 A434 W442	Y315-R329 PolarHBondContact O-NH1 2.9Å; Y322-R329 HydrophobicContact CE1-CG 4.14Å; Y322-R329 PolarHBondContact OH-N 3.47Å; R329-M345 PolarHBondContact NH2-SD 3.23Å; R329-M345 VanDerWaalsContact NH2-SD 3.37Å; R329-F364 WeakPolarHBondContact CA-O 2.88Å; R329-F364 WeakPolarHBondContact CB-O 3.38Å; R329-F364 VanDerWaalsContact CG-O 3.28Å; R329-F364 WeakPolarHBondContact CG-O 3.28Å; R329-F364 PolarHBondContact NH1-O 3.03Å; R329-G365 CarbonylContact C-O 3.5Å; R329-G365 VanDerWaalsContact CA-O 3.26Å; R329-G365 WeakPolarHBondContact CA-O 3.3Å; R329-V428 CarbonylContact O-C 3.56Å; R329-V428 VanDerWaalsContact O-CA 3.28Å; R329-V428 WeakPolarHBondContact O-CA 3.26Å; R329-V428 WeakPolarHBondContact O-CG1 3.36Å; R329-G429 PolarHBondContact O-N 3.25Å; R329-G432 VanDerWaalsContact CD-O 3.3Å; R329-G432 WeakPolarHBondContact CD-O 3.43Å; R329-A434 PolarHBondContact NE-O 3.16Å; R329-A434 PolarHBondContact NH2-O 3.21Å; R329-W442 HydrophobicContact CB-CH2 3.97Å; R329-W442 HydrophobicContact CB-CZ3 4.1Å
330	A	94	Very high	79	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.5	-179.4	0	0	0	0	0	111.9	I328 I346 G365 W367 I425	I328-A330 PolarHBondContact O-N 2.8Å; A330-I346 PolarHBondContact O-N 2.75Å; A330-G365 PolarHBondContact N-O 2.89Å; A330-G365 CarbonylContact O-C 3.54Å; A330-G365 WeakPolarHBondContact O-CA 3.15Å; A330-W367 HydrophobicContact CB-CB 3.84Å; A330-W367 HydrophobicContact CB-CD2 4.35Å; A330-W367 HydrophobicContact CB-CE3 4.16Å; A330-W367 HydrophobicContact CB-CG 4.29Å; A330-I425 HydrophobicContact CB-CD1 3.95Å; A330-I425 HydrophobicContact CB-CG1 4.31Å; A330-I425 HydrophobicContact CB-CG2 3.95Å
331	G	93.2	Very high	79.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	179.9	179	0	0	0	0	0	112.5	T344 T426 H427	G331-T344 CarbonylContact C-O 3.54Å; G331-T344 WeakPolarHBondContact CA-O 3.09Å; G331-T426 PolarHBondContact O-N 3.21Å; G331-H427 PolarHBondContact N-O 2.99Å; G331-H427 PolarHBondContact O-N 3.28Å
332	Y	91.8	Very high	79.9	Confident	71 Å²	71	70.6 Å²	70.6	28%	0.278	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.3	167.3	54.7	-77.4	0	0	0	110.8	E334 I343 T344 I346 P424 T426	Y332-E334 HydrophobicContact CD2-CG 4.12Å; Y332-E334 HydrophobicContact CE2-CG 3.73Å; Y332-I343 CarbonylContact O-C 3.48Å; Y332-T344 HydrophobicContact CE1-CG2 3.81Å; Y332-T344 HydrophobicContact CE2-CG2 4.2Å; Y332-T344 PolarHBondContact N-O 2.93Å; Y332-T344 PolarHBondContact O-N 3.48Å; Y332-T344 VanDerWaalsContact OH-CG2 3.31Å; Y332-T344 WeakPolarHBondContact OH-CG2 3.18Å; Y332-I346 HydrophobicContact CD1-CD1 3.96Å; Y332-I346 HydrophobicContact CE1-CD1 4.23Å; Y332-P424 WeakPolarHBondContact CB-O 3.3Å; Y332-P424 HydrophobicContact CD1-CB 4.18Å; Y332-P424 HydrophobicContact CD1-CG 4.24Å; Y332-P424 WeakPolarHBondContact CD1-O 3.49Å; Y332-P424 HydrophobicContact CE1-CG 4.41Å; Y332-T426 VanDerWaalsContact CA-OG1 3.3Å; Y332-T426 WeakPolarHBondContact CA-OG1 3.26Å
333	K	88.6	Confident	80.1	Confident	82 Å²	82	70.5 Å²	70.5	36%	0.357	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.8	161.7	-173.2	-179.9	178.4	-173.9	0	108.2	D335 I343 T426	K333-D335 PolarHBondContact O-N 3.11Å; K333-I343 HydrophobicContact CB-CD1 3.8Å; K333-I343 HydrophobicContact CG-CD1 4.38Å; K333-T426 PolarHBondContact N-OG1 3.25Å; K333-T426 VanDerWaalsContact N-OG1 3.08Å
334	E	79.5	Confident	80.5	Confident	63 Å²	63	67.8 Å²	67.8	29%	0.294	36%	0.358	S	S	.	.			trans	-70.6	124.2	171.1	-78.1	179.1	-177.2	0	0	110	Y332 S336 Y342 T344	Y332-E334 HydrophobicContact CD2-CG 4.12Å; Y332-E334 HydrophobicContact CE2-CG 3.73Å; E334-S336 VanDerWaalsContact C-N 3.31Å; E334-S336 PolarHBondContact O-N 2.79Å; E334-Y342 PolarHBondContact OE1-OH 2.69Å; E334-Y342 VanDerWaalsContact OE2-CZ 3.28Å; E334-Y342 PolarHBondContact OE2-OH 3.48Å; E334-T344 VanDerWaalsContact CD-OG1 3.3Å; E334-T344 PolarHBondContact OE1-OG1 3.04Å
335	D	66	Low	80.8	Confident	163 Å²	163	61.3 Å²	61.3	87%	0.872	33%	0.33	S	S	*	.			trans	-78.3	82.3	173.5	-72	-32.4	0	0	0	108.8	K333	K333-D335 PolarHBondContact O-N 3.11Å
336	S	55.7	Low	80.9	Confident	77 Å²	77	59.7 Å²	59.7	54%	0.538	32%	0.317	S	S	.	.	S	Bend	trans	-145	150.2	165.5	56.8	0	0	0	0	109.7	E334 A338	E334-S336 VanDerWaalsContact C-N 3.31Å; E334-S336 PolarHBondContact O-N 2.79Å; S336-A338 PolarHBondContact O-N 2.8Å
337	N	58.7	Low	80.5	Confident	181 Å²	181	60 Å²	60	97%	0.968	33%	0.33	S	S	*	.			trans	-62.6	38.7	175.2	-68.7	-25.8	0	0	0	112.8
338	A	61.6	Low	79.4	Confident	47 Å²	47	60.9 Å²	60.9	39%	0.388	33%	0.333	S	S	.	.			trans	-69.9	132.5	176.6	0	0	0	0	0	109.2	S336 N340	S336-A338 PolarHBondContact O-N 2.8Å; A338-N340 PolarHBondContact O-N 2.9Å; A338-N340 VanDerWaalsContact O-N 3.16Å
339	T	69.3	Low	78	Confident	142 Å²	142	61.8 Å²	61.8	87%	0.871	34%	0.34	S	S	*	.	S	Bend	trans	-56.5	-27.1	173.3	4.3	0	0	0	0	112.3
340	N	69.7	Low	76.4	Confident	136 Å²	136	65.9 Å²	65.9	73%	0.727	36%	0.361	S	S	*	.	S	Bend	trans	-128.3	92.1	177.7	-68.8	-22.4	0	0	0	110.3	A338	A338-N340 PolarHBondContact O-N 2.9Å; A338-N340 VanDerWaalsContact O-N 3.16Å
341	P	79.4	Confident	74.7	Confident	54 Å²	54	71.1 Å²	71.1	35%	0.351	39%	0.389	S	S	.	.			trans	-67.3	141.8	175.4	28.5	-34.3	0	0	0	110.8	I439	P341-I439 HydrophobicContact CB-CD1 4.31Å; P341-I439 HydrophobicContact CB-CG1 4.11Å; P341-I439 HydrophobicContact CG-CG1 4Å; P341-I439 WeakPolarHBondContact O-CG1 3.32Å
342	Y	84.2	Confident	72.9	Confident	94 Å²	94	72.1 Å²	72.1	37%	0.369	40%	0.395	S	S	.	.			trans	-136	163.6	174.3	68.6	-78.9	0	0	0	110.3	E334 T344 N436	E334-Y342 PolarHBondContact OE1-OH 2.69Å; E334-Y342 VanDerWaalsContact OE2-CZ 3.28Å; E334-Y342 PolarHBondContact OE2-OH 3.48Å; Y342-T344 VanDerWaalsContact CE2-OG1 3.31Å; Y342-T344 WeakPolarHBondContact CE2-OG1 3.31Å; Y342-N436 CarbonylContact C-O 3.56Å; Y342-N436 WeakPolarHBondContact CA-O 3.43Å; Y342-N436 WeakPolarHBondContact CB-O 3.3Å
343	I	89.5	Confident	71.1	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.2	174.6	-60.9	-55.7	0	0	0	109	Y332 K333 M345 H427 N436 I439 W442	Y332-I343 CarbonylContact O-C 3.48Å; K333-I343 HydrophobicContact CB-CD1 3.8Å; K333-I343 HydrophobicContact CG-CD1 4.38Å; I343-M345 PolarHBondContact O-N 2.9Å; I343-H427 HydrophobicContact CD1-CB 3.96Å; I343-N436 HydrophobicContact CB-CB 4.48Å; I343-N436 PolarHBondContact N-O 3.3Å; I343-N436 WeakPolarHBondContact O-CB 3.45Å; I343-I439 HydrophobicContact CD1-CD1 3.68Å; I343-I439 HydrophobicContact CG1-CD1 3.78Å; I343-W442 HydrophobicContact CB-CD2 4.12Å; I343-W442 HydrophobicContact CB-CE3 4.47Å; I343-W442 HydrophobicContact CB-CZ2 4.34Å; I343-W442 HydrophobicContact CG1-CB 4.2Å; I343-W442 HydrophobicContact CG1-CD2 3.73Å; I343-W442 HydrophobicContact CG1-CE3 4.3Å; I343-W442 HydrophobicContact CG1-CG 3.63Å; I343-W442 HydrophobicContact CG2-CD2 4.03Å; I343-W442 HydrophobicContact CG2-CE3 3.87Å; I343-W442 HydrophobicContact CG2-CH2 4.08Å; I343-W442 HydrophobicContact CG2-CZ2 4.2Å; I343-W442 HydrophobicContact CG2-CZ3 3.91Å
344	T	88.3	Confident	69.6	Low	28 Å²	28	71 Å²	71	17%	0.172	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	107.8	167.4	-58.8	0	0	0	0	108.3	G331 Y332 E334 Y342	G331-T344 CarbonylContact C-O 3.54Å; G331-T344 WeakPolarHBondContact CA-O 3.09Å; Y332-T344 HydrophobicContact CE1-CG2 3.81Å; Y332-T344 HydrophobicContact CE2-CG2 4.2Å; Y332-T344 PolarHBondContact N-O 2.93Å; Y332-T344 PolarHBondContact O-N 3.48Å; Y332-T344 VanDerWaalsContact OH-CG2 3.31Å; Y332-T344 WeakPolarHBondContact OH-CG2 3.18Å; E334-T344 VanDerWaalsContact CD-OG1 3.3Å; E334-T344 PolarHBondContact OE1-OG1 3.04Å; Y342-T344 VanDerWaalsContact CE2-OG1 3.31Å; Y342-T344 WeakPolarHBondContact CE2-OG1 3.31Å
345	M	87.7	Confident	68.6	Low	9 Å²	9	71.3 Å²	71.3	4%	0.044	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137	178.1	-78.6	-168.3	-65.6	0	0	110.5	D314 R329 I343 N436 W442	D314-M345 HydrophobicContact CB-CE 4.08Å; D314-M345 WeakPolarHBondContact OD1-CE 3.47Å; D314-M345 VanDerWaalsContact OD2-CE 3.24Å; D314-M345 WeakPolarHBondContact OD2-CE 3.37Å; R329-M345 PolarHBondContact NH2-SD 3.23Å; R329-M345 VanDerWaalsContact NH2-SD 3.37Å; I343-M345 PolarHBondContact O-N 2.9Å; M345-N436 HydrophobicContact CE-CB 4.08Å; M345-N436 HydrophobicContact CG-CB 4.37Å; M345-N436 HydrophobicContact SD-CB 4.49Å; M345-W442 HydrophobicContact CG-CH2 3.66Å; M345-W442 HydrophobicContact CG-CZ2 4.13Å; M345-W442 HydrophobicContact SD-CH2 3.79Å; M345-W442 HydrophobicContact SD-CZ2 4.09Å
346	I	84.6	Confident	68	Low	15 Å²	15	67.8 Å²	67.8	8%	0.077	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-64.1	126.8	178.4	-59.4	-60.1	0	0	0	108.8	A330 Y332 N363 W366 P368 P424 I425	A330-I346 PolarHBondContact O-N 2.75Å; Y332-I346 HydrophobicContact CD1-CD1 3.96Å; Y332-I346 HydrophobicContact CE1-CD1 4.23Å; I346-N363 PolarHBondContact O-OD1 3.28Å; I346-W366 WeakPolarHBondContact CB-O 3.44Å; I346-W366 WeakPolarHBondContact CG1-O 3.46Å; I346-W366 HydrophobicContact CG2-CB 4.38Å; I346-W366 WeakPolarHBondContact CG2-O 3.3Å; I346-W366 VanDerWaalsContact O-CD1 3.25Å; I346-W366 PolarHBondContact O-N 2.82Å; I346-P368 HydrophobicContact CG2-CG 4.22Å; I346-P424 HydrophobicContact CD1-CG 3.89Å; I346-I425 HydrophobicContact CD1-CG1 4.14Å; I346-I425 HydrophobicContact CG1-CD1 4.37Å; I346-I425 HydrophobicContact CG1-CG1 3.86Å
347	P	75.4	Confident	67.9	Low	93 Å²	93	69.2 Å²	69.2	60%	0.604	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-70.8	165.5	-179.2	29.3	-35.4	0	0	0	112.4	W366	P347-W366 VanDerWaalsContact C-CD1 3.49Å
348	Y	64.4	Low	67.6	Low	19 Å²	19	61.9 Å²	61.9	8%	0.075	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-58	131	-179.9	-162.8	-90.9	0	0	0	112.6	P352 I354 Y355 Y359 I362 W366	Y348-P352 HydrophobicContact CD1-CG 4.25Å; Y348-P352 HydrophobicContact CE1-CB 4.42Å; Y348-P352 HydrophobicContact CE1-CG 3.23Å; Y348-P352 HydrophobicContact CE2-CG 4.27Å; Y348-P352 WeakPolarHBondContact OH-CG 3.38Å; Y348-I354 PolarHBondContact OH-O 2.68Å; Y348-Y355 PolarHBondContact OH-O 2.86Å; Y348-Y359 AromaticContact CD1-CD2 3.55Å; Y348-Y359 HydrophobicContact CD1-CD2 3.55Å; Y348-Y359 HydrophobicContact CD1-CE2 4Å; Y348-Y359 HydrophobicContact CD1-CG 4.46Å; Y348-Y359 AromaticContact CE1-CD2 3.74Å; Y348-Y359 HydrophobicContact CE1-CD2 3.74Å; Y348-Y359 HydrophobicContact CE1-CG 4.47Å; Y348-I362 HydrophobicContact CD2-CB 4.26Å; Y348-I362 VanDerWaalsContact CD2-O 3.3Å; Y348-I362 WeakPolarHBondContact CD2-O 3.38Å; Y348-I362 HydrophobicContact CE2-CB 4.3Å; Y348-W366 VanDerWaalsContact CA-CD1 3.49Å; Y348-W366 HydrophobicContact CD2-CD2 4.4Å; Y348-W366 AromaticContact CD2-CE2 3.34Å; Y348-W366 AromaticContact CD2-CH2 3.94Å; Y348-W366 HydrophobicContact CD2-CH2 3.94Å; Y348-W366 AromaticContact CD2-CZ2 3.07Å; Y348-W366 HydrophobicContact CD2-CZ2 3.07Å; Y348-W366 AromaticContact CD2-NE1 3.48Å; Y348-W366 AromaticContact CE2-CE2 3.93Å; Y348-W366 AromaticContact CE2-CH2 3.62Å; Y348-W366 HydrophobicContact CE2-CH2 3.62Å; Y348-W366 AromaticContact CE2-CZ2 3.2Å; Y348-W366 HydrophobicContact CE2-CZ2 3.2Å; Y348-W366 HydrophobicContact CG-CZ2 4.27Å
349	P	64.6	Low	67.2	Low	20 Å²	20	65.4 Å²	65.4	13%	0.13	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-70.3	152.9	179	29.2	-34.6	0	0	0	112.6	N351 P352 Y359 S382	P349-N351 VanDerWaalsContact C-N 3.28Å; P349-N351 PolarHBondContact O-N 2.78Å; P349-P352 HydrophobicContact CG-CB 4.02Å; P349-Y359 WeakPolarHBondContact O-CE2 3.24Å; P349-S382 WeakPolarHBondContact CB-OG 3.31Å
350	L	58.9	Low	66.4	Low	90 Å²	90	60.4 Å²	60.4	47%	0.471	33%	0.328	S	S	.	.	S	Bend	trans	-57.1	-30.8	-174.6	-81.9	156.8	0	0	0	115.2	Y359	L350-Y359 VanDerWaalsContact CA-CE2 3.41Å; L350-Y359 HydrophobicContact CB-CE2 4.48Å; L350-Y359 HydrophobicContact CD2-CE2 4.19Å; L350-Y359 WeakPolarHBondContact CD2-OH 3.48Å; L350-Y359 HydrophobicContact CG-CE2 4.49Å
351	N	57.5	Low	65.7	Low	109 Å²	109	55.7 Å²	55.7	58%	0.583	30%	0.3	S	S	*	.	S	Bend	trans	-147.4	88.3	175.2	-65.1	-55.3	0	0	0	109.8	P349 S380	P349-N351 VanDerWaalsContact C-N 3.28Å; P349-N351 PolarHBondContact O-N 2.78Å; N351-S380 WeakPolarHBondContact CB-O 3.39Å; N351-S380 PolarHBondContact ND2-O 2.77Å
352	P	56.1	Low	64.8	Low	21 Å²	21	53.3 Å²	53.3	14%	0.136	28%	0.284	C	S	.	.			trans	-78.2	154.6	176.3	26.7	-22.8	0	0	0	111.2	Y348 P349 I354	Y348-P352 HydrophobicContact CD1-CG 4.25Å; Y348-P352 HydrophobicContact CE1-CB 4.42Å; Y348-P352 HydrophobicContact CE1-CG 3.23Å; Y348-P352 HydrophobicContact CE2-CG 4.27Å; Y348-P352 WeakPolarHBondContact OH-CG 3.38Å; P349-P352 HydrophobicContact CG-CB 4.02Å; P352-I354 VanDerWaalsContact CB-O 3.27Å; P352-I354 WeakPolarHBondContact CB-O 3.38Å; P352-I354 WeakPolarHBondContact CG-O 3.43Å; P352-I354 PolarHBondContact O-N 3.25Å
353	T	54.3	Low	64.4	Low	83 Å²	83	49.9 Å²	49.9	51%	0.509	27%	0.272	S	S	.	.	S	Bend	trans	-72.8	-13.7	167.6	35.6	0	0	0	0	112.8
354	I	57.1	Low	63.7	Low	48 Å²	48	50.1 Å²	50.1	25%	0.246	27%	0.274	C	S	.	.	S	Bend	trans	-131.4	133.5	-173	-50.6	174	0	0	0	107.9	Y348 P352 T384 L386	Y348-I354 PolarHBondContact OH-O 2.68Å; P352-I354 VanDerWaalsContact CB-O 3.27Å; P352-I354 WeakPolarHBondContact CB-O 3.38Å; P352-I354 WeakPolarHBondContact CG-O 3.43Å; P352-I354 PolarHBondContact O-N 3.25Å; I354-T384 HydrophobicContact CD1-CG2 4.43Å; I354-L386 HydrophobicContact CD1-CD1 3.59Å; I354-L386 HydrophobicContact CD1-CD2 3.7Å; I354-L386 HydrophobicContact CD1-CG 3.94Å
355	Y	58.5	Low	63.5	Low	69 Å²	69	48.8 Å²	48.8	27%	0.271	27%	0.265	S	S	.	.			trans	64.8	42	-174.7	-51.7	-68.7	0	0	0	115.6	Y348 N357 E358 F364 W366	Y348-Y355 PolarHBondContact OH-O 2.86Å; Y355-N357 PolarHBondContact O-N 2.04Å; Y355-E358 VanDerWaalsContact CB-OE2 3.28Å; Y355-E358 WeakPolarHBondContact CB-OE2 3.37Å; Y355-E358 WeakPolarHBondContact CD1-OE2 3.26Å; Y355-E358 PolarHBondContact O-N 3.46Å; Y355-F364 HydrophobicContact CD2-CE2 4.44Å; Y355-F364 HydrophobicContact CE2-CE2 4Å; Y355-F364 HydrophobicContact CE2-CZ 4.47Å; Y355-W366 AromaticContact CD2-CH2 3.97Å; Y355-W366 HydrophobicContact CD2-CH2 3.97Å; Y355-W366 HydrophobicContact CE2-CH2 4.45Å
356	P	53.7	Low	63.5	Low	89 Å²	89	48.5 Å²	48.5	58%	0.578	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-23.1	-170.3	25.4	-36.3	0	0	0	115.3
357	N	52.7	Low	63.8	Low	107 Å²	107	47.8 Å²	47.8	57%	0.572	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	1.8	-177.9	-59.7	-16	0	0	0	114	Y355 R361	Y355-N357 PolarHBondContact O-N 2.04Å; N357-R361 PolarHBondContact O-NH1 3.29Å
358	E	52.5	Low	64.4	Low	27 Å²	27	44.1 Å²	44.1	13%	0.126	24%	0.236	C	C	.	.			trans	-115.2	23.4	-171.8	-56.8	-178.7	132.8	0	0	113	Y355 G360 R361 I362	Y355-E358 VanDerWaalsContact CB-OE2 3.28Å; Y355-E358 WeakPolarHBondContact CB-OE2 3.37Å; Y355-E358 WeakPolarHBondContact CD1-OE2 3.26Å; Y355-E358 PolarHBondContact O-N 3.46Å; E358-G360 PolarHBondContact O-N 2.86Å; E358-R361 WeakPolarHBondContact O-CB 3.49Å; E358-R361 PolarHBondContact O-N 2.8Å; E358-I362 HydrophobicContact CB-CD1 3.37Å; E358-I362 HydrophobicContact CB-CG1 3.79Å; E358-I362 HydrophobicContact CG-CD1 3.85Å; E358-I362 WeakPolarHBondContact OE2-CD1 3.43Å
359	Y	52.1	Low	65.5	Low	120 Å²	120	43.2 Å²	43.2	47%	0.471	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	121.6	-179	-176.3	-106.9	0	0	0	113.1	Y348 P349 L350 R361	Y348-Y359 AromaticContact CD1-CD2 3.55Å; Y348-Y359 HydrophobicContact CD1-CD2 3.55Å; Y348-Y359 HydrophobicContact CD1-CE2 4Å; Y348-Y359 HydrophobicContact CD1-CG 4.46Å; Y348-Y359 AromaticContact CE1-CD2 3.74Å; Y348-Y359 HydrophobicContact CE1-CD2 3.74Å; Y348-Y359 HydrophobicContact CE1-CG 4.47Å; P349-Y359 WeakPolarHBondContact O-CE2 3.24Å; L350-Y359 VanDerWaalsContact CA-CE2 3.41Å; L350-Y359 HydrophobicContact CB-CE2 4.48Å; L350-Y359 HydrophobicContact CD2-CE2 4.19Å; L350-Y359 WeakPolarHBondContact CD2-OH 3.48Å; L350-Y359 HydrophobicContact CG-CE2 4.49Å; Y359-R361 PolarHBondContact O-N 3.22Å; Y359-R361 VanDerWaalsContact O-N 3.15Å
360	G	54.1	Low	66.3	Low	37 Å²	37	42.3 Å²	42.3	38%	0.381	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-5	179.1	0	0	0	0	0	115.7	A312 E358	A312-G360 WeakPolarHBondContact CB-O 3.48Å; E358-G360 PolarHBondContact O-N 2.86Å
361	R	53.5	Low	67.3	Low	38 Å²	38	39.6 Å²	39.6	14%	0.143	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-20.8	-177.6	-56.6	-176.7	-172.2	152.4	6.5	113.4	L304 T313 N357 E358 Y359	L304-R361 PolarHBondContact O-NH2 3.47Å; T313-R361 PolarHBondContact N-O 3.06Å; T313-R361 VanDerWaalsContact N-O 3.12Å; T313-R361 PolarHBondContact OG1-O 2.88Å; N357-R361 PolarHBondContact O-NH1 3.29Å; E358-R361 WeakPolarHBondContact O-CB 3.49Å; E358-R361 PolarHBondContact O-N 2.8Å; Y359-R361 PolarHBondContact O-N 3.22Å; Y359-R361 VanDerWaalsContact O-N 3.15Å
362	I	61.6	Low	68.1	Low	3 Å²	3	41 Å²	41	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.5	-166.3	-54.4	-166.8	0	0	0	110	Y315 Y348 E358 F364 W366	Y315-I362 HydrophobicContact CD1-CG2 4.38Å; Y315-I362 HydrophobicContact CD2-CB 3.76Å; Y315-I362 HydrophobicContact CD2-CD1 4.36Å; Y315-I362 HydrophobicContact CD2-CG1 3.8Å; Y315-I362 HydrophobicContact CD2-CG2 3.36Å; Y315-I362 HydrophobicContact CE1-CD1 4.46Å; Y315-I362 HydrophobicContact CE2-CB 3.98Å; Y315-I362 HydrophobicContact CE2-CD1 4.08Å; Y315-I362 HydrophobicContact CE2-CG1 3.5Å; Y315-I362 VanDerWaalsContact CE2-CG1 3.5Å; Y315-I362 HydrophobicContact CE2-CG2 4.02Å; Y315-I362 HydrophobicContact CG-CB 4.42Å; Y315-I362 HydrophobicContact CG-CG2 3.57Å; Y348-I362 HydrophobicContact CD2-CB 4.26Å; Y348-I362 VanDerWaalsContact CD2-O 3.3Å; Y348-I362 WeakPolarHBondContact CD2-O 3.38Å; Y348-I362 HydrophobicContact CE2-CB 4.3Å; E358-I362 HydrophobicContact CB-CD1 3.37Å; E358-I362 HydrophobicContact CB-CG1 3.79Å; E358-I362 HydrophobicContact CG-CD1 3.85Å; E358-I362 WeakPolarHBondContact OE2-CD1 3.43Å; I362-F364 HydrophobicContact CG2-CD2 3.32Å; I362-F364 HydrophobicContact CG2-CE2 3.23Å; I362-F364 HydrophobicContact CG2-CG 4.3Å; I362-F364 HydrophobicContact CG2-CZ 4.14Å; I362-W366 HydrophobicContact CB-CZ2 4.4Å; I362-W366 HydrophobicContact CG2-CZ2 3.91Å; I362-W366 PolarHBondContact O-NE1 2.8Å
363	N	74.6	Confident	69.2	Low	22 Å²	22	40.9 Å²	40.9	12%	0.118	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	101.3	167.4	-166.8	14.9	0	0	0	110.8	A312 T313 D314 Y315 I346 G365	A312-N363 HydrophobicContact CB-CB 4.18Å; T313-N363 PolarHBondContact O-N 3.45Å; D314-N363 CarbonylContact C-O 3.51Å; D314-N363 VanDerWaalsContact CA-O 3.32Å; D314-N363 WeakPolarHBondContact CA-O 3.13Å; Y315-N363 PolarHBondContact N-O 3.02Å; I346-N363 PolarHBondContact O-OD1 3.28Å; N363-G365 VanDerWaalsContact C-N 3.27Å; N363-G365 PolarHBondContact OD1-N 2.8Å
364	F	76	Confident	70.6	Confident	5 Å²	5	38.8 Å²	38.8	2%	0.022	21%	0.208	C	C	.	.	S	Bend	trans	-82.9	-7.7	166.2	-71	-84.8	0	0	0	111.9	Y315 L316 S317 Y326 P327 R329 Y355 I362 W366	Y315-F364 VanDerWaalsContact CB-CE1 3.47Å; Y315-F364 HydrophobicContact CD1-CZ 4.25Å; Y315-F364 HydrophobicContact CG-CE1 4.48Å; Y315-F364 HydrophobicContact CG-CE2 4.49Å; Y315-F364 HydrophobicContact CG-CZ 4.22Å; Y315-F364 VanDerWaalsContact O-CD1 3.31Å; Y315-F364 WeakPolarHBondContact O-CD1 3.47Å; L316-F364 WeakPolarHBondContact O-CE1 3.04Å; S317-F364 WeakPolarHBondContact OG-CD1 3.39Å; Y326-F364 HydrophobicContact CD1-CE1 4.05Å; Y326-F364 HydrophobicContact CD1-CZ 4.34Å; P327-F364 HydrophobicContact CB-CB 3.92Å; P327-F364 HydrophobicContact CB-CD2 4.49Å; P327-F364 HydrophobicContact CB-CG 4.2Å; P327-F364 HydrophobicContact CG-CB 4.13Å; P327-F364 HydrophobicContact CG-CD1 4.41Å; P327-F364 HydrophobicContact CG-CD2 3.76Å; P327-F364 HydrophobicContact CG-CE2 4.19Å; P327-F364 HydrophobicContact CG-CG 3.88Å; R329-F364 WeakPolarHBondContact CA-O 2.88Å; R329-F364 WeakPolarHBondContact CB-O 3.38Å; R329-F364 VanDerWaalsContact CG-O 3.28Å; R329-F364 WeakPolarHBondContact CG-O 3.28Å; R329-F364 PolarHBondContact NH1-O 3.03Å; Y355-F364 HydrophobicContact CD2-CE2 4.44Å; Y355-F364 HydrophobicContact CE2-CE2 4Å; Y355-F364 HydrophobicContact CE2-CZ 4.47Å; I362-F364 HydrophobicContact CG2-CD2 3.32Å; I362-F364 HydrophobicContact CG2-CE2 3.23Å; I362-F364 HydrophobicContact CG2-CG 4.3Å; I362-F364 HydrophobicContact CG2-CZ 4.14Å; F364-W366 HydrophobicContact CB-CZ2 4.44Å; F364-W366 AromaticContact CD2-CH2 3.46Å; F364-W366 HydrophobicContact CD2-CH2 3.46Å; F364-W366 VanDerWaalsContact CD2-CH2 3.46Å; F364-W366 AromaticContact CD2-CZ2 3.41Å; F364-W366 HydrophobicContact CD2-CZ2 3.41Å; F364-W366 VanDerWaalsContact CD2-CZ2 3.41Å; F364-W366 HydrophobicContact CD2-CZ3 4.22Å; F364-W366 AromaticContact CE2-CH2 3.94Å; F364-W366 HydrophobicContact CE2-CH2 3.94Å; F364-W366 HydrophobicContact CE2-CZ2 4.14Å; F364-W366 HydrophobicContact CG-CZ2 4.39Å
365	G	84.2	Confident	71.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.			trans	68.7	87.8	-158	0	0	0	0	0	109.7	R329 A330 N363	R329-G365 CarbonylContact C-O 3.5Å; R329-G365 VanDerWaalsContact CA-O 3.26Å; R329-G365 WeakPolarHBondContact CA-O 3.3Å; A330-G365 PolarHBondContact N-O 2.89Å; A330-G365 CarbonylContact O-C 3.54Å; A330-G365 WeakPolarHBondContact O-CA 3.15Å; N363-G365 VanDerWaalsContact C-N 3.27Å; N363-G365 PolarHBondContact OD1-N 2.8Å
366	W	86.7	Confident	73	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.011	21%	0.209	C	C	.	.			trans	-81.3	138.7	-167.3	-57.8	87.8	0	0	0	112	P327 I346 P347 Y348 Y355 I362 F364 P368 T384	P327-W366 HydrophobicContact CB-CE3 4.03Å; P327-W366 HydrophobicContact CB-CZ3 4.01Å; P327-W366 HydrophobicContact CG-CE3 3.97Å; P327-W366 HydrophobicContact CG-CH2 3.95Å; P327-W366 HydrophobicContact CG-CZ3 3.42Å; P327-W366 VanDerWaalsContact CG-CZ3 3.42Å; I346-W366 WeakPolarHBondContact CB-O 3.44Å; I346-W366 WeakPolarHBondContact CG1-O 3.46Å; I346-W366 HydrophobicContact CG2-CB 4.38Å; I346-W366 WeakPolarHBondContact CG2-O 3.3Å; I346-W366 VanDerWaalsContact O-CD1 3.25Å; I346-W366 PolarHBondContact O-N 2.82Å; P347-W366 VanDerWaalsContact C-CD1 3.49Å; Y348-W366 VanDerWaalsContact CA-CD1 3.49Å; Y348-W366 HydrophobicContact CD2-CD2 4.4Å; Y348-W366 AromaticContact CD2-CE2 3.34Å; Y348-W366 AromaticContact CD2-CH2 3.94Å; Y348-W366 HydrophobicContact CD2-CH2 3.94Å; Y348-W366 AromaticContact CD2-CZ2 3.07Å; Y348-W366 HydrophobicContact CD2-CZ2 3.07Å; Y348-W366 AromaticContact CD2-NE1 3.48Å; Y348-W366 AromaticContact CE2-CE2 3.93Å; Y348-W366 AromaticContact CE2-CH2 3.62Å; Y348-W366 HydrophobicContact CE2-CH2 3.62Å; Y348-W366 AromaticContact CE2-CZ2 3.2Å; Y348-W366 HydrophobicContact CE2-CZ2 3.2Å; Y348-W366 HydrophobicContact CG-CZ2 4.27Å; Y355-W366 AromaticContact CD2-CH2 3.97Å; Y355-W366 HydrophobicContact CD2-CH2 3.97Å; Y355-W366 HydrophobicContact CE2-CH2 4.45Å; I362-W366 HydrophobicContact CB-CZ2 4.4Å; I362-W366 HydrophobicContact CG2-CZ2 3.91Å; I362-W366 PolarHBondContact O-NE1 2.8Å; F364-W366 HydrophobicContact CB-CZ2 4.44Å; F364-W366 AromaticContact CD2-CH2 3.46Å; F364-W366 HydrophobicContact CD2-CH2 3.46Å; F364-W366 VanDerWaalsContact CD2-CH2 3.46Å; F364-W366 AromaticContact CD2-CZ2 3.41Å; F364-W366 HydrophobicContact CD2-CZ2 3.41Å; F364-W366 VanDerWaalsContact CD2-CZ2 3.41Å; F364-W366 HydrophobicContact CD2-CZ3 4.22Å; F364-W366 AromaticContact CE2-CH2 3.94Å; F364-W366 HydrophobicContact CE2-CH2 3.94Å; F364-W366 HydrophobicContact CE2-CZ2 4.14Å; F364-W366 HydrophobicContact CG-CZ2 4.39Å; W366-P368 VanDerWaalsContact C-CD 3.44Å; W366-P368 WeakPolarHBondContact O-CD 3.41Å; W366-T384 HydrophobicContact CE3-CG2 3.83Å; W366-T384 HydrophobicContact CZ3-CG2 3.93Å
367	W	90.6	Very high	73.8	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.204	C	C	.	.			trans	-97	92.4	162.1	-164.2	-34.4	0	0	0	109.8	I328 A330 T384 I385 I425 V428 L445 I475 V495	I328-W367 HydrophobicContact CG2-CE3 4.14Å; A330-W367 HydrophobicContact CB-CB 3.84Å; A330-W367 HydrophobicContact CB-CD2 4.35Å; A330-W367 HydrophobicContact CB-CE3 4.16Å; A330-W367 HydrophobicContact CB-CG 4.29Å; W367-T384 PolarHBondContact N-OG1 3.43Å; W367-T384 VanDerWaalsContact O-CA 3.27Å; W367-T384 WeakPolarHBondContact O-CA 3.4Å; W367-T384 PolarHBondContact O-OG1 2.83Å; W367-I385 HydrophobicContact CB-CB 4.38Å; W367-I385 HydrophobicContact CB-CD1 4.15Å; W367-I385 HydrophobicContact CB-CG1 4.2Å; W367-I385 HydrophobicContact CD2-CD1 3.62Å; W367-I385 HydrophobicContact CE3-CD1 4.08Å; W367-I385 HydrophobicContact CG-CD1 3.62Å; W367-I385 HydrophobicContact CG-CG1 4.13Å; W367-I385 PolarHBondContact O-N 2.79Å; W367-I425 HydrophobicContact CB-CD1 4.07Å; W367-I425 HydrophobicContact CD2-CD1 3.79Å; W367-I425 HydrophobicContact CG-CD1 3.46Å; W367-I425 VanDerWaalsContact CG-CD1 3.46Å; W367-V428 HydrophobicContact CE3-CG2 3.95Å; W367-V428 HydrophobicContact CH2-CG2 4.32Å; W367-V428 HydrophobicContact CZ3-CG2 3.43Å; W367-V428 VanDerWaalsContact CZ3-CG2 3.43Å; W367-L445 HydrophobicContact CH2-CD1 3.68Å; W367-L445 HydrophobicContact CH2-CD2 3.91Å; W367-L445 HydrophobicContact CH2-CG 4.44Å; W367-L445 HydrophobicContact CZ2-CD1 4.48Å; W367-L445 HydrophobicContact CZ2-CD2 4.04Å; W367-I475 HydrophobicContact CH2-CD1 4.47Å; W367-I475 HydrophobicContact CH2-CG2 3.69Å; W367-I475 HydrophobicContact CZ2-CD1 3.65Å; W367-I475 HydrophobicContact CZ2-CG1 4.16Å; W367-I475 HydrophobicContact CZ2-CG2 3.97Å; W367-I475 HydrophobicContact CZ3-CG2 4.26Å; W367-V495 HydrophobicContact CH2-CG1 3.77Å; W367-V495 HydrophobicContact CZ3-CG1 3.86Å
368	P	87.9	Confident	74.5	Confident	15 Å²	15	35.2 Å²	35.2	10%	0.097	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.6	175.2	28.5	-36	0	0	0	111.3	I346 W366 Y378 K383 P423	I346-P368 HydrophobicContact CG2-CG 4.22Å; W366-P368 VanDerWaalsContact C-CD 3.44Å; W366-P368 WeakPolarHBondContact O-CD 3.41Å; P368-Y378 WeakPolarHBondContact CB-OH 3.27Å; P368-Y378 VanDerWaalsContact CG-OH 3.31Å; P368-Y378 WeakPolarHBondContact CG-OH 3.49Å; P368-Y378 PolarHBondContact O-OH 2.92Å; P368-K383 CarbonylContact C-O 3.59Å; P368-K383 WeakPolarHBondContact CA-O 3.05Å; P368-P423 HydrophobicContact CG-CB 4.01Å; P368-P423 HydrophobicContact CG-CG 4.47Å
369	I	88	Confident	75.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.9	168.3	59.1	174.1	0	0	0	108.5	N371 S382 K383 I385 T391 I475 T529 V531	I369-N371 PolarHBondContact O-N 3.48Å; I369-S382 WeakPolarHBondContact O-CA 3.37Å; I369-K383 HydrophobicContact CD1-CD 4.34Å; I369-K383 VanDerWaalsContact CD1-CE 3.43Å; I369-K383 HydrophobicContact CD1-CG 3.94Å; I369-K383 HydrophobicContact CG1-CD 4.43Å; I369-K383 HydrophobicContact CG1-CG 3.55Å; I369-K383 WeakPolarHBondContact CG1-O 3.08Å; I369-K383 PolarHBondContact N-O 2.85Å; I369-K383 PolarHBondContact O-N 3.1Å; I369-K383 VanDerWaalsContact O-O 3.13Å; I369-I385 HydrophobicContact CD1-CG1 4.23Å; I369-I385 HydrophobicContact CG2-CD1 3.99Å; I369-I385 HydrophobicContact CG2-CG1 3.88Å; I369-T391 HydrophobicContact CD1-CG2 4.05Å; I369-I475 HydrophobicContact CG2-CD1 4.33Å; I369-T529 HydrophobicContact CB-CG2 4.13Å; I369-T529 HydrophobicContact CD1-CG2 4.42Å; I369-T529 HydrophobicContact CG2-CG2 3.91Å; I369-V531 HydrophobicContact CD1-CG2 4.22Å
370	P	82.8	Confident	75.7	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	136.4	178.3	-25.6	33.3	0	0	0	111.2	Y378 S393 C395 S420 L421	P370-Y378 HydrophobicContact CG-CD2 4.38Å; P370-Y378 HydrophobicContact CG-CE2 4.32Å; P370-S393 WeakPolarHBondContact O-CB 3.39Å; P370-S393 PolarHBondContact O-OG 3.24Å; P370-C395 HydrophobicContact CB-CB 3.95Å; P370-S420 WeakPolarHBondContact CG-O 3.29Å; P370-L421 HydrophobicContact CG-CD2 4.13Å
371	N	78.6	Confident	76.3	Confident	33 Å²	33	36.5 Å²	36.5	18%	0.176	20%	0.196	C	C	.	.			trans	-97.2	178.4	170.4	-160.9	8.7	0	0	0	110.8	I369 G373 Q381 K383 S394	I369-N371 PolarHBondContact O-N 3.48Å; N371-G373 PolarHBondContact O-N 3.24Å; N371-Q381 WeakPolarHBondContact CB-O 3.36Å; N371-Q381 PolarHBondContact N-O 2.91Å; N371-K383 HydrophobicContact CB-CB 4.42Å; N371-S394 CarbonylContact C-O 3.4Å
372	I	74.3	Confident	77.5	Confident	138 Å²	138	34.9 Å²	34.9	71%	0.708	19%	0.19	S	C	*	.	S	Bend	trans	-54.6	127.8	169.2	-59	171.7	0	0	0	108.8
373	G	79.2	Confident	78.5	Confident	19 Å²	19	36.6 Å²	36.6	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	143.8	-159.5	178.9	0	0	0	0	0	112.7	N371 I396	N371-G373 PolarHBondContact O-N 3.24Å; G373-I396 WeakPolarHBondContact O-CB 3.4Å; G373-I396 PolarHBondContact O-N 3.29Å
374	D	84.2	Confident	79	Confident	39 Å²	39	36.2 Å²	36.2	21%	0.209	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-85.8	138.8	178.2	-159.9	-57.1	0	0	0	110.4	T376 K377 R398	D374-T376 WeakPolarHBondContact CB-OG1 3.01Å; D374-T376 PolarHBondContact O-N 3.01Å; D374-T376 VanDerWaalsContact O-N 3.12Å; D374-T376 WeakPolarHBondContact OD1-CB 3.46Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.29Å; D374-T376 PolarHBondContact OD1-N 2.95Å; D374-T376 PolarHBondContact OD1-OG1 3.23Å; D374-K377 HydrophobicContact CB-CG 4.45Å; D374-K377 PolarHBondContact O-N 2.94Å; D374-R398 VanDerWaalsContact CG-NH1 3.3Å; D374-R398 IonicContact OD2-CZ 3.91Å; D374-R398 IonicContact OD2-NE 3.74Å; D374-R398 IonicContact OD2-NH1 2.98Å; D374-R398 PolarHBondContact OD2-NH1 2.82Å
375	C	85.1	Confident	79.7	Confident	6 Å²	6	36 Å²	36	4%	0.041	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.2	-20.8	176	-60.1	0	0	0	0	112.6	K377 C395 I396 F416 S420	C375-K377 PolarHBondContact O-N 3.23Å; C375-C395 WeakPolarHBondContact CA-SG 3.04Å; C375-C395 HydrophobicContact CB-CB 3.94Å; C375-C395 WeakPolarHBondContact CB-SG 3.11Å; C375-C395 WeakPolarHBondContact SG-CB 3.47Å; C375-C395 CovalentContact SG-SG 2.04Å; C375-C395 PolarHBondContact SG-SG 3.39Å; C375-I396 PolarHBondContact N-O 2.9Å; C375-I396 VanDerWaalsContact N-O 3.12Å; C375-I396 VanDerWaalsContact SG-C 3.57Å; C375-F416 HydrophobicContact CB-CE1 3.9Å; C375-F416 HydrophobicContact CB-CZ 4.21Å; C375-S420 PolarHBondContact O-OG 3.43Å
376	T	79.6	Confident	79.9	Confident	84 Å²	84	36.9 Å²	36.9	52%	0.515	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-68	-18	174	54.1	0	0	0	0	114.2	D374 F416	D374-T376 WeakPolarHBondContact CB-OG1 3.01Å; D374-T376 PolarHBondContact O-N 3.01Å; D374-T376 VanDerWaalsContact O-N 3.12Å; D374-T376 WeakPolarHBondContact OD1-CB 3.46Å; D374-T376 WeakPolarHBondContact OD1-CG2 3.29Å; D374-T376 PolarHBondContact OD1-N 2.95Å; D374-T376 PolarHBondContact OD1-OG1 3.23Å; T376-F416 HydrophobicContact CG2-CE2 3.96Å; T376-F416 HydrophobicContact CG2-CZ 3.56Å
377	K	72.3	Confident	80.1	Confident	108 Å²	108	37 Å²	37	47%	0.47	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-102.9	16.7	-172.6	-70.5	-171	-180	-175.3	0	114.5	D374 C375 T379 S380 Q381	D374-K377 HydrophobicContact CB-CG 4.45Å; D374-K377 PolarHBondContact O-N 2.94Å; C375-K377 PolarHBondContact O-N 3.23Å; K377-T379 VanDerWaalsContact C-N 3.28Å; K377-T379 PolarHBondContact O-N 2.8Å; K377-T379 VanDerWaalsContact O-N 3.1Å; K377-S380 PolarHBondContact O-N 2.82Å; K377-S380 PolarHBondContact O-OG 2.83Å; K377-Q381 PolarHBondContact O-N 2.69Å
378	Y	67.6	Low	79.9	Confident	40 Å²	40	38 Å²	38	16%	0.157	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-43.2	-173.6	179	-100.8	0	0	0	114.7	P368 P370 S380 S420	P368-Y378 WeakPolarHBondContact CB-OH 3.27Å; P368-Y378 VanDerWaalsContact CG-OH 3.31Å; P368-Y378 WeakPolarHBondContact CG-OH 3.49Å; P368-Y378 PolarHBondContact O-OH 2.92Å; P370-Y378 HydrophobicContact CG-CD2 4.38Å; P370-Y378 HydrophobicContact CG-CE2 4.32Å; Y378-S380 VanDerWaalsContact C-N 3.27Å; Y378-S380 PolarHBondContact O-N 2.8Å; Y378-S420 VanDerWaalsContact CE2-O 3.24Å; Y378-S420 WeakPolarHBondContact CE2-O 3.47Å
379	T	65.5	Low	79.7	Confident	101 Å²	101	40.6 Å²	40.6	62%	0.62	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.9	179.9	52.8	0	0	0	0	113.5	K377	K377-T379 VanDerWaalsContact C-N 3.28Å; K377-T379 PolarHBondContact O-N 2.8Å; K377-T379 VanDerWaalsContact O-N 3.1Å
380	S	63.7	Low	79.7	Confident	36 Å²	36	45.6 Å²	45.6	25%	0.252	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-18.3	-176.9	66.9	0	0	0	0	114.1	N351 K377 Y378	N351-S380 WeakPolarHBondContact CB-O 3.39Å; N351-S380 PolarHBondContact ND2-O 2.77Å; K377-S380 PolarHBondContact O-N 2.82Å; K377-S380 PolarHBondContact O-OG 2.83Å; Y378-S380 VanDerWaalsContact C-N 3.27Å; Y378-S380 PolarHBondContact O-N 2.8Å
381	Q	67	Low	79.8	Confident	74 Å²	74	46.4 Å²	46.4	35%	0.346	25%	0.254	S	S	.	.	S	Bend	trans	-139.6	68.3	-172.8	-67.1	-176.2	-22.3	0	0	110.2	N371 K377	N371-Q381 WeakPolarHBondContact CB-O 3.36Å; N371-Q381 PolarHBondContact N-O 2.91Å; K377-Q381 PolarHBondContact O-N 2.69Å
382	S	78.3	Confident	80.2	Confident	4 Å²	4	50.7 Å²	50.7	3%	0.028	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152	170.7	54.6	0	0	0	0	110.4	P349 I369	P349-S382 WeakPolarHBondContact CB-OG 3.31Å; I369-S382 WeakPolarHBondContact O-CA 3.37Å
383	K	81.4	Confident	80.8	Confident	39 Å²	39	44.4 Å²	44.4	17%	0.17	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	165.8	165.5	73.1	-178.1	-158.7	-170.1	0	108.4	P368 I369 N371 T391 F392 S393	P368-K383 CarbonylContact C-O 3.59Å; P368-K383 WeakPolarHBondContact CA-O 3.05Å; I369-K383 HydrophobicContact CD1-CD 4.34Å; I369-K383 VanDerWaalsContact CD1-CE 3.43Å; I369-K383 HydrophobicContact CD1-CG 3.94Å; I369-K383 HydrophobicContact CG1-CD 4.43Å; I369-K383 HydrophobicContact CG1-CG 3.55Å; I369-K383 WeakPolarHBondContact CG1-O 3.08Å; I369-K383 PolarHBondContact N-O 2.85Å; I369-K383 PolarHBondContact O-N 3.1Å; I369-K383 VanDerWaalsContact O-O 3.13Å; N371-K383 HydrophobicContact CB-CB 4.42Å; K383-T391 VanDerWaalsContact NZ-CG2 3.26Å; K383-F392 PolarHBondContact NZ-O 2.66Å; K383-S393 VanDerWaalsContact CE-CB 3.45Å; K383-S393 WeakPolarHBondContact CE-OG 3.45Å; K383-S393 PolarHBondContact NZ-OG 2.89Å; K383-S393 VanDerWaalsContact NZ-OG 3.11Å
384	T	86.8	Confident	81.2	Confident	14 Å²	14	44.6 Å²	44.6	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	160.8	179.2	-162	0	0	0	0	112.4	P327 I354 W366 W367 L386	P327-T384 HydrophobicContact CB-CG2 4.3Å; P327-T384 HydrophobicContact CG-CG2 4.39Å; I354-T384 HydrophobicContact CD1-CG2 4.43Å; W366-T384 HydrophobicContact CE3-CG2 3.83Å; W366-T384 HydrophobicContact CZ3-CG2 3.93Å; W367-T384 PolarHBondContact N-OG1 3.43Å; W367-T384 VanDerWaalsContact O-CA 3.27Å; W367-T384 WeakPolarHBondContact O-CA 3.4Å; W367-T384 PolarHBondContact O-OG1 2.83Å; T384-L386 HydrophobicContact CG2-CD2 3.85Å
385	I	91	Very high	81.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-79.6	125.7	172.4	-55.2	-178	0	0	0	109.2	P327 I328 W367 I369 I475 I477 V531 F533	P327-I385 WeakPolarHBondContact CA-O 3.35Å; I328-I385 HydrophobicContact CB-CB 4.45Å; I328-I385 HydrophobicContact CB-CG2 4.47Å; I328-I385 HydrophobicContact CG1-CB 4.17Å; I328-I385 HydrophobicContact CG1-CG2 3.69Å; I328-I385 PolarHBondContact N-O 3.01Å; W367-I385 HydrophobicContact CB-CB 4.38Å; W367-I385 HydrophobicContact CB-CD1 4.15Å; W367-I385 HydrophobicContact CB-CG1 4.2Å; W367-I385 HydrophobicContact CD2-CD1 3.62Å; W367-I385 HydrophobicContact CE3-CD1 4.08Å; W367-I385 HydrophobicContact CG-CD1 3.62Å; W367-I385 HydrophobicContact CG-CG1 4.13Å; W367-I385 PolarHBondContact O-N 2.79Å; I369-I385 HydrophobicContact CD1-CG1 4.23Å; I369-I385 HydrophobicContact CG2-CD1 3.99Å; I369-I385 HydrophobicContact CG2-CG1 3.88Å; I385-I475 HydrophobicContact CD1-CD1 3.87Å; I385-I475 HydrophobicContact CD1-CG2 4.38Å; I385-I477 HydrophobicContact CG2-CD1 3.9Å; I385-V531 HydrophobicContact CD1-CG1 4.1Å; I385-V531 HydrophobicContact CD1-CG2 3.87Å; I385-V531 HydrophobicContact CG1-CG1 4.48Å; I385-V531 HydrophobicContact CG1-CG2 4.09Å; I385-V531 HydrophobicContact CG2-CG1 3.73Å; I385-F533 HydrophobicContact CG2-CE2 4.01Å; I385-F533 HydrophobicContact CG2-CZ 3.93Å
386	L	88.2	Confident	81.5	Confident	18 Å²	18	44.7 Å²	44.7	9%	0.094	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-102.6	136.9	175.2	-57.8	-178.2	0	0	0	111.2	Y326 P327 I354 T384 G388 Q389 F533	Y326-L386 CarbonylContact O-C 3.53Å; Y326-L386 WeakPolarHBondContact O-CA 3.34Å; P327-L386 HydrophobicContact CG-CD2 4.29Å; I354-L386 HydrophobicContact CD1-CD1 3.59Å; I354-L386 HydrophobicContact CD1-CD2 3.7Å; I354-L386 HydrophobicContact CD1-CG 3.94Å; T384-L386 HydrophobicContact CG2-CD2 3.85Å; L386-G388 PolarHBondContact O-N 3.17Å; L386-Q389 HydrophobicContact CB-CB 4.45Å; L386-Q389 HydrophobicContact CB-CG 4.38Å; L386-Q389 PolarHBondContact O-N 3.08Å; L386-F533 WeakPolarHBondContact O-CE2 3.44Å; L386-F533 WeakPolarHBondContact O-CZ 3.4Å
387	F	89.5	Confident	82.1	Confident	5 Å²	5	40.7 Å²	40.7	2%	0.022	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	131.2	-179.5	-177	-92.7	0	0	0	112.1	Y322 S325 Y326 I328 Q389 Y479 N490 I492 F533	Y322-F387 VanDerWaalsContact CB-CD2 3.48Å; Y322-F387 VanDerWaalsContact CB-CG 3.44Å; Y322-F387 HydrophobicContact CD1-CB 4.1Å; Y322-F387 HydrophobicContact CD1-CD2 4.01Å; Y322-F387 HydrophobicContact CD1-CG 4.13Å; Y322-F387 HydrophobicContact CD2-CD2 4.11Å; Y322-F387 HydrophobicContact CD2-CE2 4.2Å; Y322-F387 HydrophobicContact CG-CB 4.41Å; Y322-F387 AromaticContact CG-CD2 3.62Å; Y322-F387 HydrophobicContact CG-CD2 3.62Å; Y322-F387 HydrophobicContact CG-CE2 4.04Å; Y322-F387 AromaticContact CG-CG 3.93Å; Y322-F387 HydrophobicContact CG-CG 3.93Å; S325-F387 PolarHBondContact N-O 3.18Å; Y326-F387 PolarHBondContact O-N 2.99Å; I328-F387 HydrophobicContact CD1-CB 3.92Å; I328-F387 HydrophobicContact CD1-CD2 3.72Å; I328-F387 HydrophobicContact CD1-CG 4.32Å; F387-Q389 VanDerWaalsContact C-N 3.32Å; F387-Q389 PolarHBondContact O-N 2.04Å; F387-Y479 HydrophobicContact CE2-CD2 4.33Å; F387-Y479 HydrophobicContact CE2-CG 4.03Å; F387-Y479 HydrophobicContact CZ-CD1 4.35Å; F387-Y479 AromaticContact CZ-CD2 3.64Å; F387-Y479 HydrophobicContact CZ-CD2 3.64Å; F387-Y479 HydrophobicContact CZ-CE2 4.11Å; F387-Y479 AromaticContact CZ-CG 3.78Å; F387-Y479 HydrophobicContact CZ-CG 3.78Å; F387-N490 HydrophobicContact CE1-CB 3.8Å; F387-N490 HydrophobicContact CZ-CB 3.6Å; F387-I492 HydrophobicContact CE2-CG1 4.3Å; F387-F533 AromaticContact CD2-CE1 3.84Å; F387-F533 HydrophobicContact CD2-CE1 3.84Å; F387-F533 HydrophobicContact CE2-CE1 4.27Å; F387-F533 HydrophobicContact CG-CE1 4.36Å
388	G	86.7	Confident	82.9	Confident	23 Å²	23	39 Å²	39	24%	0.237	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	19.1	177.3	0	0	0	0	0	114.5	L386 F533	L386-G388 PolarHBondContact O-N 3.17Å; G388-F533 VanDerWaalsContact N-CE1 3.33Å
389	Q	84.4	Confident	84	Confident	69 Å²	69	37.1 Å²	37.1	32%	0.322	20%	0.196	S	C	.	.			trans	-126	110.7	176.5	-61.3	-168.8	13.5	0	0	111.9	S325 L386 F387 T391 F533	S325-Q389 VanDerWaalsContact CB-NE2 3.25Å; S325-Q389 PolarHBondContact OG-NE2 3.35Å; L386-Q389 HydrophobicContact CB-CB 4.45Å; L386-Q389 HydrophobicContact CB-CG 4.38Å; L386-Q389 PolarHBondContact O-N 3.08Å; F387-Q389 VanDerWaalsContact C-N 3.32Å; F387-Q389 PolarHBondContact O-N 2.04Å; Q389-T391 PolarHBondContact O-N 3.44Å; Q389-T391 PolarHBondContact O-OG1 2.95Å; Q389-F533 WeakPolarHBondContact O-CD2 3.33Å; Q389-F533 VanDerWaalsContact O-CE2 3.3Å; Q389-F533 WeakPolarHBondContact O-CE2 3.38Å
390	N	86.8	Confident	85.1	Confident	105 Å²	105	36.5 Å²	36.5	56%	0.561	19%	0.185	S	C	*	.			trans	-60.4	128.7	168	-67.5	-11.2	0	0	0	109.1	V531 L532 F533	N390-V531 CarbonylContact C-O 3.54Å; N390-V531 VanDerWaalsContact CA-O 3.28Å; N390-V531 WeakPolarHBondContact CA-O 3.46Å; N390-L532 HydrophobicContact CB-CD2 4.45Å; N390-F533 PolarHBondContact OD1-N 2.63Å
391	T	86.2	Confident	86.2	Confident	19 Å²	19	35.7 Å²	35.7	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.9	-168.9	-60.7	0	0	0	0	110.5	I369 K383 Q389 V531	I369-T391 HydrophobicContact CD1-CG2 4.05Å; K383-T391 VanDerWaalsContact NZ-CG2 3.26Å; Q389-T391 PolarHBondContact O-N 3.44Å; Q389-T391 PolarHBondContact O-OG1 2.95Å; T391-V531 PolarHBondContact N-O 2.69Å; T391-V531 PolarHBondContact O-N 2.93Å
392	F	86.4	Confident	87	Confident	124 Å²	124	34.5 Å²	34.5	54%	0.544	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141.5	168.1	-180	-96.6	0	0	0	110.2	K383 T528 T529	K383-F392 PolarHBondContact NZ-O 2.66Å; F392-T528 HydrophobicContact CE2-CG2 4.08Å; F392-T528 HydrophobicContact CZ-CG2 3.76Å; F392-T529 CarbonylContact C-O 3.5Å
393	S	86.5	Confident	87.1	Confident	5 Å²	5	46 Å²	46	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	158	175.2	-141.4	0	0	0	0	112.2	P370 K383 T528 T529	P370-S393 WeakPolarHBondContact O-CB 3.39Å; P370-S393 PolarHBondContact O-OG 3.24Å; K383-S393 VanDerWaalsContact CE-CB 3.45Å; K383-S393 WeakPolarHBondContact CE-OG 3.45Å; K383-S393 PolarHBondContact NZ-OG 2.89Å; K383-S393 VanDerWaalsContact NZ-OG 3.11Å; S393-T528 CarbonylContact O-C 3.53Å; S393-T528 WeakPolarHBondContact O-CA 3.31Å; S393-T529 PolarHBondContact N-O 2.9Å; S393-T529 PolarHBondContact O-N 2.73Å
394	S	87.5	Confident	87.1	Confident	23 Å²	23	48.8 Å²	48.8	16%	0.161	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.2	176.2	60.5	0	0	0	0	112.3	N371 I527	N371-S394 CarbonylContact C-O 3.4Å; S394-I527 WeakPolarHBondContact CA-O 3.33Å
395	C	87.1	Confident	86.8	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	158.1	163.3	65.9	0	0	0	0	110.9	P370 C375 L526 I527	P370-C395 HydrophobicContact CB-CB 3.95Å; C375-C395 WeakPolarHBondContact CA-SG 3.04Å; C375-C395 HydrophobicContact CB-CB 3.94Å; C375-C395 WeakPolarHBondContact CB-SG 3.11Å; C375-C395 WeakPolarHBondContact SG-CB 3.47Å; C375-C395 CovalentContact SG-SG 2.04Å; C375-C395 PolarHBondContact SG-SG 3.39Å; C395-L526 WeakPolarHBondContact O-CA 3.45Å; C395-I527 PolarHBondContact N-O 2.75Å; C395-I527 VanDerWaalsContact N-O 3.09Å; C395-I527 PolarHBondContact O-N 3.42Å
396	I	89.1	Confident	86.4	Confident	44 Å²	44	55.9 Å²	55.9	23%	0.226	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.7	-179.4	-57.7	171.6	0	0	0	108.7	G373 C375 R398 K524 F525 L526	G373-I396 WeakPolarHBondContact O-CB 3.4Å; G373-I396 PolarHBondContact O-N 3.29Å; C375-I396 PolarHBondContact N-O 2.9Å; C375-I396 VanDerWaalsContact N-O 3.12Å; C375-I396 VanDerWaalsContact SG-C 3.57Å; I396-R398 HydrophobicContact CG2-CG 4.3Å; I396-K524 HydrophobicContact CG2-CB 3.87Å; I396-K524 HydrophobicContact CG2-CD 4.18Å; I396-K524 HydrophobicContact CG2-CG 3.87Å; I396-F525 WeakPolarHBondContact CA-O 3.38Å; I396-L526 HydrophobicContact CG1-CD2 3.94Å
397	L	91.3	Very high	86.3	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.1	166.8	174.8	65.2	0	0	0	109	L399 Y407 L413 F416 I417 I504 K524 F525 I527	L397-L399 HydrophobicContact CD1-CD2 4.24Å; L397-L399 HydrophobicContact CD2-CD2 4.2Å; L397-L399 HydrophobicContact CD2-CG 4.48Å; L397-L399 HydrophobicContact CG-CD2 4.06Å; L397-L399 HydrophobicContact CG-CG 4.32Å; L397-Y407 HydrophobicContact CD1-CE2 4.34Å; L397-L413 HydrophobicContact CD1-CD1 4.36Å; L397-L413 HydrophobicContact CD2-CD1 4.02Å; L397-F416 HydrophobicContact CD1-CD1 4.03Å; L397-F416 HydrophobicContact CD1-CE1 3.75Å; L397-I417 HydrophobicContact CD2-CD1 3.92Å; L397-I417 HydrophobicContact CD2-CG1 4.1Å; L397-I504 HydrophobicContact CD2-CD1 3.44Å; L397-I504 VanDerWaalsContact CD2-CD1 3.44Å; L397-I504 HydrophobicContact CG-CD1 4.5Å; L397-K524 CarbonylContact O-C 3.46Å; L397-K524 WeakPolarHBondContact O-CA 3.41Å; L397-F525 HydrophobicContact CB-CB 4.41Å; L397-F525 PolarHBondContact N-O 2.77Å; L397-F525 PolarHBondContact O-N 2.91Å; L397-I527 HydrophobicContact CB-CD1 4.42Å; L397-I527 HydrophobicContact CB-CG1 4Å; L397-I527 HydrophobicContact CD2-CD1 4.1Å; L397-I527 HydrophobicContact CD2-CG1 4.41Å
398	R	90.1	Very high	86	Confident	73 Å²	73	60.1 Å²	60.1	28%	0.275	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.4	178.5	-73	166.2	174.2	88.6	-13	109.9	D374 I396 E522 Q523 K524	D374-R398 VanDerWaalsContact CG-NH1 3.3Å; D374-R398 IonicContact OD2-CZ 3.91Å; D374-R398 IonicContact OD2-NE 3.74Å; D374-R398 IonicContact OD2-NH1 2.98Å; D374-R398 PolarHBondContact OD2-NH1 2.82Å; I396-R398 HydrophobicContact CG2-CG 4.3Å; R398-E522 WeakPolarHBondContact CD-OE1 3.34Å; R398-E522 VanDerWaalsContact CD-OE2 3.3Å; R398-E522 WeakPolarHBondContact CD-OE2 3.39Å; R398-E522 IonicContact NE-OE1 3.57Å; R398-E522 PolarHBondContact NE-OE1 2.91Å; R398-E522 IonicContact NE-OE2 3.84Å; R398-Q523 CarbonylContact C-O 3.59Å; R398-Q523 WeakPolarHBondContact CA-O 3.28Å; R398-K524 HydrophobicContact CG-CG 4.18Å
399	L	91.4	Very high	86	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.4	177	-60.9	-174.5	0	0	0	110.2	L397 Y407 L413 W464 I504 Q523 F525	L397-L399 HydrophobicContact CD1-CD2 4.24Å; L397-L399 HydrophobicContact CD2-CD2 4.2Å; L397-L399 HydrophobicContact CD2-CG 4.48Å; L397-L399 HydrophobicContact CG-CD2 4.06Å; L397-L399 HydrophobicContact CG-CG 4.32Å; L399-Y407 HydrophobicContact CD2-CD2 4.21Å; L399-Y407 HydrophobicContact CD2-CE2 4.07Å; L399-L413 HydrophobicContact CD2-CD1 4.11Å; L399-W464 HydrophobicContact CB-CZ2 4.14Å; L399-W464 HydrophobicContact CD1-CH2 3.79Å; L399-W464 HydrophobicContact CD1-CZ2 4.03Å; L399-W464 HydrophobicContact CD2-CH2 3.94Å; L399-W464 HydrophobicContact CD2-CZ2 4.15Å; L399-W464 HydrophobicContact CG-CH2 4.35Å; L399-W464 HydrophobicContact CG-CZ2 4.34Å; L399-I504 HydrophobicContact CD1-CD1 4.1Å; L399-I504 HydrophobicContact CD1-CG1 3.8Å; L399-Q523 PolarHBondContact N-O 3.46Å; L399-Q523 PolarHBondContact O-N 3.06Å; L399-F525 HydrophobicContact CB-CD2 4.37Å; L399-F525 HydrophobicContact CB-CE2 4.1Å; L399-F525 HydrophobicContact CD1-CD2 3.8Å; L399-F525 HydrophobicContact CD1-CE2 3.69Å; L399-F525 HydrophobicContact CG-CD2 3.93Å; L399-F525 HydrophobicContact CG-CE2 4.05Å
400	K	88.4	Confident	86.3	Confident	88 Å²	88	58.5 Å²	58.5	38%	0.383	28%	0.282	S	S	.	.			trans	-113.6	171.4	177.2	-71.5	-176.9	-178.2	179.8	0	109.9	Q404 N405 W464 E522	K400-Q404 HydrophobicContact CB-CB 4.21Å; K400-Q404 HydrophobicContact CD-CB 4.38Å; K400-Q404 WeakPolarHBondContact CD-O 3.33Å; K400-N405 HydrophobicContact CB-CB 4.21Å; K400-W464 PolarHBondContact O-NE1 2.76Å; K400-E522 HydrophobicContact CG-CB 4.41Å
401	P	86.2	Confident	86.5	Confident	18 Å²	18	58 Å²	58	12%	0.117	28%	0.279	C	S	.	.			trans	-48.5	144	163.7	-24.8	32.4	0	0	0	110.7	R403 Q404 N405 Y506 N520	P401-R403 PolarHBondContact O-N 2.9Å; P401-R403 VanDerWaalsContact O-N 3.08Å; P401-Q404 CarbonylContact O-C 3.26Å; P401-Q404 PolarHBondContact O-N 2.86Å; P401-N405 PolarHBondContact O-N 2.55Å; P401-N405 VanDerWaalsContact O-N 3.08Å; P401-Y506 HydrophobicContact CB-CE1 4.28Å; P401-Y506 HydrophobicContact CG-CD1 4.39Å; P401-Y506 HydrophobicContact CG-CE1 3.77Å; P401-Y506 HydrophobicContact CG-CE2 4.23Å; P401-N520 HydrophobicContact CG-CB 3.52Å
402	L	83	Confident	86.6	Confident	49 Å²	49	60.4 Å²	60.4	26%	0.257	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-52.3	-39.8	-171.2	-170.1	66.8	0	0	0	113	Q404 N405 F457 W464	L402-Q404 PolarHBondContact O-N 2.78Å; L402-N405 PolarHBondContact O-N 3.06Å; L402-F457 HydrophobicContact CD1-CE2 4.41Å; L402-F457 HydrophobicContact CD1-CZ 4.08Å; L402-F457 HydrophobicContact CD2-CZ 3.84Å; L402-W464 HydrophobicContact CB-CG 4.14Å; L402-W464 HydrophobicContact CD1-CD2 4.09Å; L402-W464 HydrophobicContact CD1-CG 4.14Å
403	R	80.3	Confident	86.9	Confident	247 Å²	247	54.5 Å²	54.5	93%	0.932	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22	178.2	-64.9	-173.6	-178.1	174.2	1.3	114.7	P401	P401-R403 PolarHBondContact O-N 2.9Å; P401-R403 VanDerWaalsContact O-N 3.08Å
404	Q	82.2	Confident	87	Confident	97 Å²	97	55.5 Å²	55.5	45%	0.453	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-113.4	1.6	-177.2	-64.2	179.3	-5.4	0	0	112.3	K400 P401 L402	K400-Q404 HydrophobicContact CB-CB 4.21Å; K400-Q404 HydrophobicContact CD-CB 4.38Å; K400-Q404 WeakPolarHBondContact CD-O 3.33Å; P401-Q404 CarbonylContact O-C 3.26Å; P401-Q404 PolarHBondContact O-N 2.86Å; L402-Q404 PolarHBondContact O-N 2.78Å
405	N	80.9	Confident	87.1	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.123	29%	0.288	C	S	.	.	S	Bend	trans	-92.2	155.6	-176.3	-156.5	8	0	0	0	110.9	K400 P401 L402 Y407 W464	K400-N405 HydrophobicContact CB-CB 4.21Å; P401-N405 PolarHBondContact O-N 2.55Å; P401-N405 VanDerWaalsContact O-N 3.08Å; L402-N405 PolarHBondContact O-N 3.06Å; N405-Y407 PolarHBondContact O-N 2.98Å; N405-W464 WeakPolarHBondContact ND2-CZ2 3.44Å
406	N	83.1	Confident	87.2	Confident	139 Å²	139	62 Å²	62	74%	0.743	29%	0.294	S	S	*	.	S	Bend	trans	-79.9	-2.8	-179.7	-67.7	-12.7	0	0	0	113.5
407	Y	84.9	Confident	87.2	Confident	21 Å²	21	59.9 Å²	59.9	8%	0.082	28%	0.283	C	S	.	.			trans	-121.2	130.1	-174.9	-42.3	-75	0	0	0	109.5	L397 L399 N405 L413 F416	L397-Y407 HydrophobicContact CD1-CE2 4.34Å; L399-Y407 HydrophobicContact CD2-CD2 4.21Å; L399-Y407 HydrophobicContact CD2-CE2 4.07Å; N405-Y407 PolarHBondContact O-N 2.98Å; Y407-L413 HydrophobicContact CD1-CD1 4.33Å; Y407-L413 HydrophobicContact CD2-CD1 3.75Å; Y407-L413 HydrophobicContact CE1-CD1 4.35Å; Y407-L413 HydrophobicContact CE2-CD1 3.77Å; Y407-L413 HydrophobicContact CG-CB 4.31Å; Y407-L413 HydrophobicContact CG-CD1 4.04Å; Y407-F416 HydrophobicContact CD1-CB 4.44Å; Y407-F416 HydrophobicContact CE1-CB 3.64Å; Y407-F416 HydrophobicContact CE1-CD1 4.08Å; Y407-F416 HydrophobicContact CE1-CD2 4.03Å; Y407-F416 AromaticContact CE1-CG 3.63Å; Y407-F416 HydrophobicContact CE1-CG 3.63Å; Y407-F416 AromaticContact CZ-CD1 3.85Å; Y407-F416 AromaticContact CZ-CG 3.87Å; Y407-F416 WeakPolarHBondContact OH-CD1 3.45Å; Y407-F416 WeakPolarHBondContact OH-CE1 3.4Å; Y407-F416 WeakPolarHBondContact OH-CG 3.48Å; Y407-F416 WeakPolarHBondContact OH-CZ 3.29Å
408	T	82.7	Confident	87	Confident	92 Å²	92	60.7 Å²	60.7	56%	0.564	29%	0.289	S	S	*	.	S	Bend	trans	-91.4	-24.6	-179.1	66.5	0	0	0	0	112.7	E412	T408-E412 PolarHBondContact N-OE2 3.31Å; T408-E412 PolarHBondContact OG1-OE1 3.46Å; T408-E412 PolarHBondContact OG1-OE2 3.19Å
409	N	87.5	Confident	86.7	Confident	54 Å²	54	63.1 Å²	63.1	29%	0.289	31%	0.305	S	S	.	.	S	Bend	trans	-152.2	174.4	-175	63.8	65.5	0	0	0	111.8	N411 E412 L413	N409-N411 PolarHBondContact O-N 2.91Å; N409-N411 WeakPolarHBondContact OD1-CA 3.46Å; N409-N411 WeakPolarHBondContact OD1-CB 3.3Å; N409-N411 PolarHBondContact OD1-N 3.03Å; N409-E412 PolarHBondContact ND2-OE1 2.78Å; N409-E412 PolarHBondContact OD1-N 3.36Å; N409-L413 PolarHBondContact O-N 3.25Å
410	C	91	Very high	86.2	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-28.3	-178.8	-60	0	0	0	0	114.4	L413 E414 F457 C466	C410-L413 PolarHBondContact O-N 3.2Å; C410-E414 VanDerWaalsContact O-CB 3.32Å; C410-E414 WeakPolarHBondContact O-CB 3.43Å; C410-E414 PolarHBondContact O-N 3.17Å; C410-F457 VanDerWaalsContact SG-CD2 3.54Å; C410-C466 WeakPolarHBondContact CA-SG 3.44Å; C410-C466 HydrophobicContact CB-CB 3.75Å; C410-C466 WeakPolarHBondContact CB-SG 3.26Å; C410-C466 WeakPolarHBondContact SG-CA 3.47Å; C410-C466 WeakPolarHBondContact SG-CB 3.13Å; C410-C466 CovalentContact SG-SG 2.04Å; C410-C466 PolarHBondContact SG-SG 2.79Å
411	N	89.9	Confident	86	Confident	93 Å²	93	59.1 Å²	59.1	50%	0.497	29%	0.288	S	S	.	.	H	α-helix	trans	-68.7	-43.5	-179.9	-62.4	-23.8	0	0	0	110.8	N409 L413 E414 Q415	N409-N411 PolarHBondContact O-N 2.91Å; N409-N411 WeakPolarHBondContact OD1-CA 3.46Å; N409-N411 WeakPolarHBondContact OD1-CB 3.3Å; N409-N411 PolarHBondContact OD1-N 3.03Å; N411-L413 VanDerWaalsContact C-N 3.34Å; N411-E414 PolarHBondContact O-N 3.36Å; N411-Q415 WeakPolarHBondContact O-CB 3.32Å; N411-Q415 VanDerWaalsContact O-CG 3.28Å; N411-Q415 WeakPolarHBondContact O-CG 3.32Å; N411-Q415 PolarHBondContact O-N 3.16Å
412	E	89.8	Confident	85.4	Confident	71 Å²	71	61 Å²	61	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-43.5	174.4	-74.2	175.5	-173.4	0	0	111.5	T408 N409 E414 Q415 F416	T408-E412 PolarHBondContact N-OE2 3.31Å; T408-E412 PolarHBondContact OG1-OE1 3.46Å; T408-E412 PolarHBondContact OG1-OE2 3.19Å; N409-E412 PolarHBondContact ND2-OE1 2.78Å; N409-E412 PolarHBondContact OD1-N 3.36Å; E412-E414 VanDerWaalsContact C-N 3.34Å; E412-E414 PolarHBondContact O-N 2.8Å; E412-Q415 PolarHBondContact O-N 2.87Å; E412-F416 WeakPolarHBondContact O-CB 3.18Å; E412-F416 PolarHBondContact O-N 2.95Å
413	L	91.2	Very high	85	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-41.8	176.4	-177.5	59.5	0	0	0	111.5	L397 L399 Y407 N409 C410 N411 F416 I417 W464 C466 I469 I504	L397-L413 HydrophobicContact CD1-CD1 4.36Å; L397-L413 HydrophobicContact CD2-CD1 4.02Å; L399-L413 HydrophobicContact CD2-CD1 4.11Å; Y407-L413 HydrophobicContact CD1-CD1 4.33Å; Y407-L413 HydrophobicContact CD2-CD1 3.75Å; Y407-L413 HydrophobicContact CE1-CD1 4.35Å; Y407-L413 HydrophobicContact CE2-CD1 3.77Å; Y407-L413 HydrophobicContact CG-CB 4.31Å; Y407-L413 HydrophobicContact CG-CD1 4.04Å; N409-L413 PolarHBondContact O-N 3.25Å; C410-L413 PolarHBondContact O-N 3.2Å; N411-L413 VanDerWaalsContact C-N 3.34Å; L413-F416 PolarHBondContact O-N 3.25Å; L413-I417 HydrophobicContact CD1-CD1 4.23Å; L413-I417 HydrophobicContact CD1-CG1 4.49Å; L413-I417 HydrophobicContact CG-CD1 4.07Å; L413-I417 WeakPolarHBondContact O-CG1 3.18Å; L413-I417 PolarHBondContact O-N 2.81Å; L413-W464 HydrophobicContact CD2-CH2 4.03Å; L413-W464 HydrophobicContact CD2-CZ3 4.04Å; L413-C466 HydrophobicContact CD2-CB 4.33Å; L413-I469 HydrophobicContact CB-CD1 3.98Å; L413-I469 HydrophobicContact CD2-CD1 3.91Å; L413-I469 HydrophobicContact CG-CD1 3.71Å; L413-I504 HydrophobicContact CD2-CG2 3.78Å
414	E	90.4	Very high	85	Confident	25 Å²	25	51.4 Å²	51.4	12%	0.117	27%	0.267	C	S	.	.	H	α-helix	trans	-69.5	-39.4	-179.9	-172.9	163.4	-158	0	0	112	C410 N411 E412 F416 I417 S418 T455 I469 H501	C410-E414 VanDerWaalsContact O-CB 3.32Å; C410-E414 WeakPolarHBondContact O-CB 3.43Å; C410-E414 PolarHBondContact O-N 3.17Å; N411-E414 PolarHBondContact O-N 3.36Å; E412-E414 VanDerWaalsContact C-N 3.34Å; E412-E414 PolarHBondContact O-N 2.8Å; E414-F416 VanDerWaalsContact C-N 3.31Å; E414-F416 PolarHBondContact O-N 3.2Å; E414-I417 PolarHBondContact O-N 2.64Å; E414-S418 WeakPolarHBondContact O-CB 3.33Å; E414-S418 PolarHBondContact O-N 2.9Å; E414-S418 PolarHBondContact O-OG 3.26Å; E414-T455 WeakPolarHBondContact OE2-CG2 3.43Å; E414-I469 HydrophobicContact CB-CD1 3.7Å; E414-I469 HydrophobicContact CB-CG1 3.73Å; E414-I469 HydrophobicContact CG-CD1 4.43Å; E414-I469 HydrophobicContact CG-CG1 3.91Å; E414-H501 IonicContact OE1-CE1 3.44Å
415	Q	88.6	Confident	85.4	Confident	131 Å²	131	47.2 Å²	47.2	61%	0.612	25%	0.248	S	C	*	.	H	α-helix	trans	-60.4	-43.4	172.4	-75.9	176.5	-9	0	0	110.8	N411 E412 S418 M419	N411-Q415 WeakPolarHBondContact O-CB 3.32Å; N411-Q415 VanDerWaalsContact O-CG 3.28Å; N411-Q415 WeakPolarHBondContact O-CG 3.32Å; N411-Q415 PolarHBondContact O-N 3.16Å; E412-Q415 PolarHBondContact O-N 2.87Å; Q415-S418 WeakPolarHBondContact O-CB 3.37Å; Q415-S418 PolarHBondContact O-N 2.87Å; Q415-M419 WeakPolarHBondContact O-CG 3.36Å; Q415-M419 PolarHBondContact O-N 2.72Å
416	F	88.6	Confident	86	Confident	31 Å²	31	48.8 Å²	48.8	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-48.8	176.4	179.5	-93.1	0	0	0	113	C375 T376 L397 Y407 E412 L413 E414 S418 M419	C375-F416 HydrophobicContact CB-CE1 3.9Å; C375-F416 HydrophobicContact CB-CZ 4.21Å; T376-F416 HydrophobicContact CG2-CE2 3.96Å; T376-F416 HydrophobicContact CG2-CZ 3.56Å; L397-F416 HydrophobicContact CD1-CD1 4.03Å; L397-F416 HydrophobicContact CD1-CE1 3.75Å; Y407-F416 HydrophobicContact CD1-CB 4.44Å; Y407-F416 HydrophobicContact CE1-CB 3.64Å; Y407-F416 HydrophobicContact CE1-CD1 4.08Å; Y407-F416 HydrophobicContact CE1-CD2 4.03Å; Y407-F416 AromaticContact CE1-CG 3.63Å; Y407-F416 HydrophobicContact CE1-CG 3.63Å; Y407-F416 AromaticContact CZ-CD1 3.85Å; Y407-F416 AromaticContact CZ-CG 3.87Å; Y407-F416 WeakPolarHBondContact OH-CD1 3.45Å; Y407-F416 WeakPolarHBondContact OH-CE1 3.4Å; Y407-F416 WeakPolarHBondContact OH-CG 3.48Å; Y407-F416 WeakPolarHBondContact OH-CZ 3.29Å; E412-F416 WeakPolarHBondContact O-CB 3.18Å; E412-F416 PolarHBondContact O-N 2.95Å; L413-F416 PolarHBondContact O-N 3.25Å; E414-F416 VanDerWaalsContact C-N 3.31Å; E414-F416 PolarHBondContact O-N 3.2Å; F416-S418 VanDerWaalsContact C-N 3.29Å; F416-S418 PolarHBondContact O-N 3.09Å; F416-M419 HydrophobicContact CB-CE 4.36Å; F416-M419 HydrophobicContact CD2-CE 4.02Å; F416-M419 PolarHBondContact O-N 3.46Å
417	I	89.6	Confident	86.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-40.6	176.6	-64.5	167.3	0	0	0	110.3	L397 L413 E414 M419 S420 L421 I469 I470 I527	L397-I417 HydrophobicContact CD2-CD1 3.92Å; L397-I417 HydrophobicContact CD2-CG1 4.1Å; L413-I417 HydrophobicContact CD1-CD1 4.23Å; L413-I417 HydrophobicContact CD1-CG1 4.49Å; L413-I417 HydrophobicContact CG-CD1 4.07Å; L413-I417 WeakPolarHBondContact O-CG1 3.18Å; L413-I417 PolarHBondContact O-N 2.81Å; E414-I417 PolarHBondContact O-N 2.64Å; I417-M419 PolarHBondContact O-N 2.86Å; I417-S420 WeakPolarHBondContact O-CB 3.46Å; I417-S420 PolarHBondContact O-N 3.38Å; I417-S420 VanDerWaalsContact O-N 3.15Å; I417-L421 HydrophobicContact CG2-CD1 3.86Å; I417-L421 HydrophobicContact CG2-CG 4.43Å; I417-L421 PolarHBondContact O-N 2.84Å; I417-I469 HydrophobicContact CD1-CD1 4.06Å; I417-I469 HydrophobicContact CD1-CG1 4.36Å; I417-I470 WeakPolarHBondContact CD1-O 3.34Å; I417-I470 HydrophobicContact CG2-CB 4.48Å; I417-I470 HydrophobicContact CG2-CG2 4.24Å; I417-I470 WeakPolarHBondContact CG2-O 3.38Å; I417-I527 HydrophobicContact CD1-CD1 4.05Å; I417-I527 HydrophobicContact CG1-CD1 4.21Å; I417-I527 HydrophobicContact CG2-CD1 4.18Å; I417-I527 HydrophobicContact CG2-CG1 4.38Å; I417-I527 HydrophobicContact CG2-CG2 3.85Å
418	S	86.9	Confident	87.1	Confident	17 Å²	17	42.2 Å²	42.2	12%	0.119	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-42.3	177.7	-69.2	0	0	0	0	112	E414 Q415 F416 S420 L421 K422	E414-S418 WeakPolarHBondContact O-CB 3.33Å; E414-S418 PolarHBondContact O-N 2.9Å; E414-S418 PolarHBondContact O-OG 3.26Å; Q415-S418 WeakPolarHBondContact O-CB 3.37Å; Q415-S418 PolarHBondContact O-N 2.87Å; F416-S418 VanDerWaalsContact C-N 3.29Å; F416-S418 PolarHBondContact O-N 3.09Å; S418-S420 PolarHBondContact O-N 2.98Å; S418-L421 CarbonylContact O-C 3.46Å; S418-L421 PolarHBondContact O-N 2.72Å; S418-K422 WeakPolarHBondContact O-CA 3.04Å; S418-K422 WeakPolarHBondContact O-CB 3.01Å; S418-K422 VanDerWaalsContact O-CG 3.28Å; S418-K422 WeakPolarHBondContact O-CG 3.27Å; S418-K422 PolarHBondContact O-N 2.99Å
419	M	83.3	Confident	87.7	Confident	125 Å²	125	37.8 Å²	37.8	62%	0.616	20%	0.197	S	C	*	.	H	α-helix	trans	-56.8	-34.8	176.6	-73.8	-173.2	-69.4	0	0	112.6	Q415 F416 I417	Q415-M419 WeakPolarHBondContact O-CG 3.36Å; Q415-M419 PolarHBondContact O-N 2.72Å; F416-M419 HydrophobicContact CB-CE 4.36Å; F416-M419 HydrophobicContact CD2-CE 4.02Å; F416-M419 PolarHBondContact O-N 3.46Å; I417-M419 PolarHBondContact O-N 2.86Å
420	S	80.9	Confident	87.9	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-77.4	-27.2	178.6	-57.2	0	0	0	0	113.2	P370 C375 Y378 I417 S418	P370-S420 WeakPolarHBondContact CG-O 3.29Å; C375-S420 PolarHBondContact O-OG 3.43Å; Y378-S420 VanDerWaalsContact CE2-O 3.24Å; Y378-S420 WeakPolarHBondContact CE2-O 3.47Å; I417-S420 WeakPolarHBondContact O-CB 3.46Å; I417-S420 PolarHBondContact O-N 3.38Å; I417-S420 VanDerWaalsContact O-N 3.15Å; S418-S420 PolarHBondContact O-N 2.98Å
421	L	84.9	Confident	87.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-102.2	-17.6	-176.9	-63.8	179.4	0	0	0	113.6	P370 I417 S418 P423 I470 Q473 K497 Y499 I527 T529	P370-L421 HydrophobicContact CG-CD2 4.13Å; I417-L421 HydrophobicContact CG2-CD1 3.86Å; I417-L421 HydrophobicContact CG2-CG 4.43Å; I417-L421 PolarHBondContact O-N 2.84Å; S418-L421 CarbonylContact O-C 3.46Å; S418-L421 PolarHBondContact O-N 2.72Å; L421-P423 WeakPolarHBondContact O-CD 3.3Å; L421-I470 HydrophobicContact CD1-CG2 3.5Å; L421-Q473 HydrophobicContact CD2-CG 4.05Å; L421-Q473 PolarHBondContact O-OE1 3.27Å; L421-K497 WeakPolarHBondContact O-CE 3.39Å; L421-K497 PolarHBondContact O-NZ 2.88Å; L421-Y499 HydrophobicContact CB-CE1 4.29Å; L421-I527 HydrophobicContact CD1-CG2 3.74Å; L421-I527 HydrophobicContact CD2-CG2 3.89Å; L421-I527 HydrophobicContact CG-CG2 3.95Å; L421-T529 WeakPolarHBondContact CD2-OG1 3.26Å
422	K	74	Confident	87.5	Confident	56 Å²	56	35.3 Å²	35.3	24%	0.243	18%	0.178	C	C	.	.			trans	-114	73.3	-177.2	-54.2	-162.2	-174.8	-180	0	110.4	S418 E450 Y499	S418-K422 WeakPolarHBondContact O-CA 3.04Å; S418-K422 WeakPolarHBondContact O-CB 3.01Å; S418-K422 VanDerWaalsContact O-CG 3.28Å; S418-K422 WeakPolarHBondContact O-CG 3.27Å; S418-K422 PolarHBondContact O-N 2.99Å; K422-E450 WeakPolarHBondContact CE-OE1 3.34Å; K422-E450 IonicContact NZ-OE1 2.63Å; K422-E450 PolarHBondContact NZ-OE1 3.04Å; K422-Y499 WeakPolarHBondContact CE-OH 3.49Å; K422-Y499 HydrophobicContact CG-CE1 4.23Å; K422-Y499 VanDerWaalsContact CG-OH 3.25Å; K422-Y499 WeakPolarHBondContact CG-OH 3.49Å
423	P	74.1	Confident	87.1	Confident	12 Å²	12	34.1 Å²	34.1	8%	0.078	17%	0.174	C	C	.	.			trans	-56.9	154.8	155.6	29.6	-34.3	0	0	0	108.8	P368 L421 I425	P368-P423 HydrophobicContact CG-CB 4.01Å; P368-P423 HydrophobicContact CG-CG 4.47Å; L421-P423 WeakPolarHBondContact O-CD 3.3Å; P423-I425 HydrophobicContact CB-CD1 3.93Å; P423-I425 HydrophobicContact CB-CG1 3.98Å; P423-I425 HydrophobicContact CG-CD1 3.48Å; P423-I425 VanDerWaalsContact CG-CD1 3.48Å; P423-I425 HydrophobicContact CG-CG1 3.89Å; P423-I425 PolarHBondContact O-N 3.27Å
424	P	81.4	Confident	86.9	Confident	83 Å²	83	34.1 Å²	34.1	54%	0.539	17%	0.174	S	C	.	.	S	Bend	trans	-72.5	65.5	178.3	32.7	-35.5	0	0	0	109.3	Y332 I346	Y332-P424 WeakPolarHBondContact CB-O 3.3Å; Y332-P424 HydrophobicContact CD1-CB 4.18Å; Y332-P424 HydrophobicContact CD1-CG 4.24Å; Y332-P424 WeakPolarHBondContact CD1-O 3.49Å; Y332-P424 HydrophobicContact CE1-CG 4.41Å; I346-P424 HydrophobicContact CD1-CG 3.89Å
425	I	90.3	Very high	86.5	Confident	10 Å²	10	34.4 Å²	34.4	5%	0.051	18%	0.177	C	C	.	.			trans	-110.3	121.1	179.8	-63.4	173.1	0	0	0	107.1	A330 I346 W367 P423 L445	A330-I425 HydrophobicContact CB-CD1 3.95Å; A330-I425 HydrophobicContact CB-CG1 4.31Å; A330-I425 HydrophobicContact CB-CG2 3.95Å; I346-I425 HydrophobicContact CD1-CG1 4.14Å; I346-I425 HydrophobicContact CG1-CD1 4.37Å; I346-I425 HydrophobicContact CG1-CG1 3.86Å; W367-I425 HydrophobicContact CB-CD1 4.07Å; W367-I425 HydrophobicContact CD2-CD1 3.79Å; W367-I425 HydrophobicContact CG-CD1 3.46Å; W367-I425 VanDerWaalsContact CG-CD1 3.46Å; P423-I425 HydrophobicContact CB-CD1 3.93Å; P423-I425 HydrophobicContact CB-CG1 3.98Å; P423-I425 HydrophobicContact CG-CD1 3.48Å; P423-I425 VanDerWaalsContact CG-CD1 3.48Å; P423-I425 HydrophobicContact CG-CG1 3.89Å; P423-I425 PolarHBondContact O-N 3.27Å; I425-L445 HydrophobicContact CG2-CD2 4.32Å
426	T	92.8	Very high	86.3	Confident	55 Å²	55	29.7 Å²	29.7	34%	0.337	16%	0.156	S	C	.	.			trans	-118.5	-18.4	175.4	61.4	0	0	0	0	112.2	G331 Y332 K333 L445	G331-T426 PolarHBondContact O-N 3.21Å; Y332-T426 VanDerWaalsContact CA-OG1 3.3Å; Y332-T426 WeakPolarHBondContact CA-OG1 3.26Å; K333-T426 PolarHBondContact N-OG1 3.25Å; K333-T426 VanDerWaalsContact N-OG1 3.08Å; T426-L445 WeakPolarHBondContact O-CB 3.44Å; T426-L445 PolarHBondContact O-N 3.14Å
427	H	95.2	Very high	86	Confident	22 Å²	22	34.2 Å²	34.2	10%	0.102	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.7	-175.7	-64.8	74.5	0	0	0	112.6	G331 I343 W442 I443	G331-H427 PolarHBondContact N-O 2.99Å; G331-H427 PolarHBondContact O-N 3.28Å; I343-H427 HydrophobicContact CD1-CB 3.96Å; H427-W442 HydrophobicContact CB-CB 4.17Å; H427-W442 HydrophobicContact CB-CE3 4.39Å; H427-I443 CarbonylContact C-O 3.45Å; H427-I443 WeakPolarHBondContact CA-O 3.4Å
428	V	96.1	Very high	85.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.8	-179.7	177.4	0	0	0	0	109.3	I328 R329 W367 I430 W442 I443 I492 V495	I328-V428 HydrophobicContact CG2-CG1 3.57Å; R329-V428 CarbonylContact O-C 3.56Å; R329-V428 VanDerWaalsContact O-CA 3.28Å; R329-V428 WeakPolarHBondContact O-CA 3.26Å; R329-V428 WeakPolarHBondContact O-CG1 3.36Å; W367-V428 HydrophobicContact CE3-CG2 3.95Å; W367-V428 HydrophobicContact CH2-CG2 4.32Å; W367-V428 HydrophobicContact CZ3-CG2 3.43Å; W367-V428 VanDerWaalsContact CZ3-CG2 3.43Å; V428-I430 PolarHBondContact O-N 3.23Å; V428-W442 VanDerWaalsContact C-CE3 3.42Å; V428-W442 CarbonylContact O-C 3.56Å; V428-W442 VanDerWaalsContact O-CA 3.3Å; V428-W442 WeakPolarHBondContact O-CA 3.26Å; V428-I443 HydrophobicContact CB-CG2 4.22Å; V428-I443 PolarHBondContact N-O 2.04Å; V428-I443 PolarHBondContact O-N 3.19Å; V428-I492 HydrophobicContact CG1-CD1 3.73Å; V428-V495 HydrophobicContact CB-CG2 4.19Å; V428-V495 HydrophobicContact CG1-CG2 4.18Å; V428-V495 HydrophobicContact CG2-CG2 4.13Å
429	G	95.1	Very high	85.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130	178.4	0	0	0	0	0	111.2	Y322 R329 W431	Y322-G429 VanDerWaalsContact CE2-O 3.29Å; Y322-G429 WeakPolarHBondContact CE2-O 3.23Å; Y322-G429 PolarHBondContact OH-O 2.73Å; R329-G429 PolarHBondContact O-N 3.25Å; G429-W431 VanDerWaalsContact C-N 3.25Å; G429-W431 PolarHBondContact O-N 3.25Å
430	I	92	Very high	85.9	Confident	40 Å²	40	40.1 Å²	40.1	21%	0.205	20%	0.203	C	C	.	.	S	Bend	trans	-63.5	-37.7	175.2	-65.4	172.7	0	0	0	110.1	V428 T440 D441 I443 C491 I492	V428-I430 PolarHBondContact O-N 3.23Å; I430-T440 WeakPolarHBondContact CD1-O 3.21Å; I430-D441 WeakPolarHBondContact CB-O 3.29Å; I430-D441 PolarHBondContact N-O 2.79Å; I430-I443 HydrophobicContact CG1-CB 4.15Å; I430-C491 HydrophobicContact CG2-CB 4.02Å; I430-C491 CarbonylContact O-C 3.59Å; I430-C491 WeakPolarHBondContact O-CA 3.37Å; I430-C491 WeakPolarHBondContact O-CB 3.38Å; I430-I492 PolarHBondContact O-N 3.43Å
431	W	88.1	Confident	86.3	Confident	59 Å²	59	41 Å²	41	22%	0.223	21%	0.208	C	C	.	.	S	Bend	trans	-119.2	159.1	-176.3	-65.3	109.8	0	0	0	111.5	P320 G429 N433 A434 K482 Q489 C491	P320-W431 HydrophobicContact CB-CD2 4.45Å; P320-W431 HydrophobicContact CB-CE3 4.17Å; P320-W431 WeakPolarHBondContact O-CB 3.36Å; G429-W431 VanDerWaalsContact C-N 3.25Å; G429-W431 PolarHBondContact O-N 3.25Å; W431-N433 VanDerWaalsContact CB-OD1 3.26Å; W431-N433 WeakPolarHBondContact CB-OD1 3.44Å; W431-N433 PolarHBondContact O-N 3.25Å; W431-A434 WeakPolarHBondContact O-CB 3.38Å; W431-A434 PolarHBondContact O-N 2.99Å; W431-K482 HydrophobicContact CH2-CB 3.99Å; W431-Q489 HydrophobicContact CH2-CB 4.34Å; W431-Q489 HydrophobicContact CZ3-CB 3.71Å; W431-C491 HydrophobicContact CD2-CB 3.77Å; W431-C491 HydrophobicContact CE3-CB 3.55Å; W431-C491 HydrophobicContact CH2-CB 3.56Å; W431-C491 HydrophobicContact CZ2-CB 3.74Å; W431-C491 HydrophobicContact CZ3-CB 3.46Å; W431-C491 VanDerWaalsContact CZ3-CB 3.46Å
432	G	83.9	Confident	86.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.2	175.9	0	0	0	0	0	113.1	L316 S317 G318 P320 R329	L316-G432 CarbonylContact C-O 3.56Å; L316-G432 WeakPolarHBondContact CA-O 3.1Å; L316-G432 WeakPolarHBondContact CB-O 2.98Å; S317-G432 PolarHBondContact N-O 3.43Å; G318-G432 CarbonylContact O-C 3.58Å; G318-G432 WeakPolarHBondContact O-CA 3.29Å; P320-G432 PolarHBondContact O-N 2.87Å; R329-G432 VanDerWaalsContact CD-O 3.3Å; R329-G432 WeakPolarHBondContact CD-O 3.43Å
433	N	82	Confident	87.7	Confident	46 Å²	46	41.1 Å²	41.1	25%	0.246	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	21.2	178.6	68.6	-15.3	0	0	0	113.8	L316 G318 N319 W431 D435	L316-N433 HydrophobicContact CD1-CB 3.79Å; L316-N433 HydrophobicContact CD2-CB 4.05Å; L316-N433 HydrophobicContact CG-CB 4.31Å; G318-N433 WeakPolarHBondContact O-CB 3.31Å; G318-N433 PolarHBondContact O-N 3.33Å; G318-N433 VanDerWaalsContact O-N 3.12Å; N319-N433 PolarHBondContact OD1-ND2 2.87Å; W431-N433 VanDerWaalsContact CB-OD1 3.26Å; W431-N433 WeakPolarHBondContact CB-OD1 3.44Å; W431-N433 PolarHBondContact O-N 3.25Å; N433-D435 PolarHBondContact O-N 3.47Å
434	A	86.4	Confident	88.7	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.			trans	-54.1	123.2	-177.3	0	0	0	0	0	112.3	R329 W431 D441 W442	R329-A434 PolarHBondContact NE-O 3.16Å; R329-A434 PolarHBondContact NH2-O 3.21Å; W431-A434 WeakPolarHBondContact O-CB 3.38Å; W431-A434 PolarHBondContact O-N 2.99Å; A434-D441 HydrophobicContact CB-CB 3.91Å; A434-D441 WeakPolarHBondContact CB-O 3.2Å; A434-W442 HydrophobicContact CB-CD2 4.49Å; A434-W442 HydrophobicContact CB-CZ2 4.14Å
435	D	81.7	Confident	89.4	Confident	31 Å²	31	43.3 Å²	43.3	17%	0.166	21%	0.209	C	C	.	.			trans	-79.1	124.2	179.2	-175.1	-23.5	0	0	0	109.6	S240 N433 K437 R438 D441 W442	S240-D435 WeakPolarHBondContact CB-OD2 3.37Å; S240-D435 PolarHBondContact OG-OD2 2.97Å; N433-D435 PolarHBondContact O-N 3.47Å; D435-K437 PolarHBondContact O-N 3.1Å; D435-K437 WeakPolarHBondContact OD1-CB 3.44Å; D435-K437 PolarHBondContact OD1-N 3.25Å; D435-R438 HydrophobicContact CB-CB 4.12Å; D435-R438 PolarHBondContact O-N 3.08Å; D435-D441 PolarHBondContact N-OD2 3.09Å; D435-W442 PolarHBondContact O-NE1 3.38Å
436	N	84.8	Confident	89.6	Confident	32 Å²	32	46.1 Å²	46.1	17%	0.171	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.7	-177.8	65	-12.7	0	0	0	113.6	Y342 I343 M345 R438 W442	Y342-N436 CarbonylContact C-O 3.56Å; Y342-N436 WeakPolarHBondContact CA-O 3.43Å; Y342-N436 WeakPolarHBondContact CB-O 3.3Å; I343-N436 HydrophobicContact CB-CB 4.48Å; I343-N436 PolarHBondContact N-O 3.3Å; I343-N436 WeakPolarHBondContact O-CB 3.45Å; M345-N436 HydrophobicContact CE-CB 4.08Å; M345-N436 HydrophobicContact CG-CB 4.37Å; M345-N436 HydrophobicContact SD-CB 4.49Å; N436-R438 VanDerWaalsContact C-N 3.3Å; N436-W442 HydrophobicContact CB-CZ2 4.23Å
437	K	83.8	Confident	89.7	Confident	126 Å²	126	46.5 Å²	46.5	55%	0.548	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.3	174.6	-62.9	174.3	-175.7	176.6	0	112.3	V238 D435	V238-K437 PolarHBondContact O-NZ 2.67Å; D435-K437 PolarHBondContact O-N 3.1Å; D435-K437 WeakPolarHBondContact OD1-CB 3.44Å; D435-K437 PolarHBondContact OD1-N 3.25Å
438	R	81.7	Confident	89.6	Confident	114 Å²	114	49.9 Å²	49.9	43%	0.43	24%	0.238	S	C	.	.			trans	-111.1	91.8	-179	-164.5	-171.8	-56.2	141.2	-0.5	110.9	D435 N436 T440 D441 W442	D435-R438 HydrophobicContact CB-CB 4.12Å; D435-R438 PolarHBondContact O-N 3.08Å; N436-R438 VanDerWaalsContact C-N 3.3Å; R438-T440 WeakPolarHBondContact CD-OG1 3.49Å; R438-T440 VanDerWaalsContact CG-OG1 3.31Å; R438-T440 WeakPolarHBondContact CG-OG1 3.16Å; R438-T440 PolarHBondContact O-N 2.74Å; R438-D441 WeakPolarHBondContact CD-OD1 3.44Å; R438-D441 IonicContact CZ-OD2 3.17Å; R438-D441 IonicContact NE-OD2 2.64Å; R438-D441 IonicContact NH1-OD1 3.82Å; R438-D441 PolarHBondContact NH1-OD1 3.37Å; R438-D441 IonicContact NH1-OD2 3.9Å; R438-D441 PolarHBondContact NH1-OD2 3.32Å; R438-D441 WeakPolarHBondContact O-CB 3.41Å; R438-D441 PolarHBondContact O-N 3.14Å; R438-W442 VanDerWaalsContact O-CD1 3.31Å
439	I	87.6	Confident	89.3	Confident	43 Å²	43	54.4 Å²	54.4	22%	0.221	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-53	-30.9	-179.5	-56.1	-57.2	0	0	0	113.2	P341 I343 D441 W442	P341-I439 HydrophobicContact CB-CD1 4.31Å; P341-I439 HydrophobicContact CB-CG1 4.11Å; P341-I439 HydrophobicContact CG-CG1 4Å; P341-I439 WeakPolarHBondContact O-CG1 3.32Å; I343-I439 HydrophobicContact CD1-CD1 3.68Å; I343-I439 HydrophobicContact CG1-CD1 3.78Å; I439-D441 PolarHBondContact O-N 3.09Å; I439-W442 PolarHBondContact O-N 3.05Å; I439-W442 VanDerWaalsContact O-O 3.11Å
440	T	86.5	Confident	88.9	Confident	109 Å²	109	57.8 Å²	57.8	67%	0.669	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-66.3	-18.1	178.1	60.3	0	0	0	0	114.3	I430 R438 W442	I430-T440 WeakPolarHBondContact CD1-O 3.21Å; R438-T440 WeakPolarHBondContact CD-OG1 3.49Å; R438-T440 VanDerWaalsContact CG-OG1 3.31Å; R438-T440 WeakPolarHBondContact CG-OG1 3.16Å; R438-T440 PolarHBondContact O-N 2.74Å; T440-W442 PolarHBondContact O-N 2.94Å
441	D	89.3	Confident	88.1	Confident	24 Å²	24	63.9 Å²	63.9	13%	0.128	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-81	0.1	174	-67.7	-7.5	0	0	0	112.1	I430 A434 D435 R438 I439	I430-D441 WeakPolarHBondContact CB-O 3.29Å; I430-D441 PolarHBondContact N-O 2.79Å; A434-D441 HydrophobicContact CB-CB 3.91Å; A434-D441 WeakPolarHBondContact CB-O 3.2Å; D435-D441 PolarHBondContact N-OD2 3.09Å; R438-D441 WeakPolarHBondContact CD-OD1 3.44Å; R438-D441 IonicContact CZ-OD2 3.17Å; R438-D441 IonicContact NE-OD2 2.64Å; R438-D441 IonicContact NH1-OD1 3.82Å; R438-D441 PolarHBondContact NH1-OD1 3.37Å; R438-D441 IonicContact NH1-OD2 3.9Å; R438-D441 PolarHBondContact NH1-OD2 3.32Å; R438-D441 WeakPolarHBondContact O-CB 3.41Å; R438-D441 PolarHBondContact O-N 3.14Å; I439-D441 PolarHBondContact O-N 3.09Å
442	W	94.5	Very high	87.4	Confident	12 Å²	12	64.4 Å²	64.4	5%	0.045	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.2	-177.2	-58.2	76.9	0	0	0	111.1	R329 I343 M345 H427 V428 A434 D435 N436 R438 I439 T440	R329-W442 HydrophobicContact CB-CH2 3.97Å; R329-W442 HydrophobicContact CB-CZ3 4.1Å; I343-W442 HydrophobicContact CB-CD2 4.12Å; I343-W442 HydrophobicContact CB-CE3 4.47Å; I343-W442 HydrophobicContact CB-CZ2 4.34Å; I343-W442 HydrophobicContact CG1-CB 4.2Å; I343-W442 HydrophobicContact CG1-CD2 3.73Å; I343-W442 HydrophobicContact CG1-CE3 4.3Å; I343-W442 HydrophobicContact CG1-CG 3.63Å; I343-W442 HydrophobicContact CG2-CD2 4.03Å; I343-W442 HydrophobicContact CG2-CE3 3.87Å; I343-W442 HydrophobicContact CG2-CH2 4.08Å; I343-W442 HydrophobicContact CG2-CZ2 4.2Å; I343-W442 HydrophobicContact CG2-CZ3 3.91Å; M345-W442 HydrophobicContact CG-CH2 3.66Å; M345-W442 HydrophobicContact CG-CZ2 4.13Å; M345-W442 HydrophobicContact SD-CH2 3.79Å; M345-W442 HydrophobicContact SD-CZ2 4.09Å; H427-W442 HydrophobicContact CB-CB 4.17Å; H427-W442 HydrophobicContact CB-CE3 4.39Å; V428-W442 VanDerWaalsContact C-CE3 3.42Å; V428-W442 CarbonylContact O-C 3.56Å; V428-W442 VanDerWaalsContact O-CA 3.3Å; V428-W442 WeakPolarHBondContact O-CA 3.26Å; A434-W442 HydrophobicContact CB-CD2 4.49Å; A434-W442 HydrophobicContact CB-CZ2 4.14Å; D435-W442 PolarHBondContact O-NE1 3.38Å; N436-W442 HydrophobicContact CB-CZ2 4.23Å; R438-W442 VanDerWaalsContact O-CD1 3.31Å; I439-W442 PolarHBondContact O-N 3.05Å; I439-W442 VanDerWaalsContact O-O 3.11Å; T440-W442 PolarHBondContact O-N 2.94Å
443	I	94.6	Very high	86.7	Confident	45 Å²	45	71.8 Å²	71.8	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.8	173.8	-167.3	163.3	0	0	0	110.2	H427 V428 I430 I492 I493	H427-I443 CarbonylContact C-O 3.45Å; H427-I443 WeakPolarHBondContact CA-O 3.4Å; V428-I443 HydrophobicContact CB-CG2 4.22Å; V428-I443 PolarHBondContact N-O 2.04Å; V428-I443 PolarHBondContact O-N 3.19Å; I430-I443 HydrophobicContact CG1-CB 4.15Å; I443-I492 HydrophobicContact CG2-CG2 4.44Å; I443-I493 WeakPolarHBondContact CD1-O 3.4Å
444	K	95.4	Very high	86.8	Confident	135 Å²	135	75.4 Å²	75.4	59%	0.587	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	140	174.2	-172.6	179.5	176.3	-174.9	0	109.9
445	L	95.1	Very high	86.8	Confident	6 Å²	6	77 Å²	77	3%	0.031	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-76.8	121.5	171.9	178.8	60.3	0	0	0	110.1	W367 I425 T426 I447 V495 K497	W367-L445 HydrophobicContact CH2-CD1 3.68Å; W367-L445 HydrophobicContact CH2-CD2 3.91Å; W367-L445 HydrophobicContact CH2-CG 4.44Å; W367-L445 HydrophobicContact CZ2-CD1 4.48Å; W367-L445 HydrophobicContact CZ2-CD2 4.04Å; I425-L445 HydrophobicContact CG2-CD2 4.32Å; T426-L445 WeakPolarHBondContact O-CB 3.44Å; T426-L445 PolarHBondContact O-N 3.14Å; L445-I447 HydrophobicContact CD2-CD1 4.44Å; L445-I447 HydrophobicContact CD2-CG1 4.26Å; L445-I447 HydrophobicContact CG-CG1 4.02Å; L445-V495 HydrophobicContact CD1-CB 3.83Å; L445-V495 HydrophobicContact CD1-CG1 3.44Å; L445-V495 VanDerWaalsContact CD1-CG1 3.44Å; L445-K497 HydrophobicContact CD1-CB 4.01Å; L445-K497 HydrophobicContact CD2-CB 4.31Å; L445-K497 HydrophobicContact CD2-CD 4.09Å; L445-K497 HydrophobicContact CG-CB 4.29Å
446	D	95.8	Very high	87.2	Confident	69 Å²	69	79 Å²	79	37%	0.369	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.3	173.2	-65.9	-40.4	0	0	0	110	F448 V495 H496 K497	D446-F448 HydrophobicContact CB-CE2 3.71Å; D446-F448 HydrophobicContact CB-CZ 4.04Å; D446-V495 PolarHBondContact N-O 3.42Å; D446-H496 CarbonylContact O-C 2.94Å; D446-H496 WeakPolarHBondContact O-CA 3.39Å; D446-H496 IonicContact OD2-CD2 3.99Å; D446-H496 IonicContact OD2-NE2 3.97Å; D446-K497 PolarHBondContact O-N 3.43Å
447	I	94.2	Very high	87.6	Confident	63 Å²	63	81.2 Å²	81.2	32%	0.323	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.2	-174.5	-53.6	179.4	0	0	0	109.4	L445 E450 K497 Y499	L445-I447 HydrophobicContact CD2-CD1 4.44Å; L445-I447 HydrophobicContact CD2-CG1 4.26Å; L445-I447 HydrophobicContact CG-CG1 4.02Å; I447-E450 HydrophobicContact CG2-CB 3.85Å; I447-E450 HydrophobicContact CG2-CG 4.2Å; I447-K497 WeakPolarHBondContact CA-O 2.92Å; I447-Y499 HydrophobicContact CG2-CD2 4.21Å; I447-Y499 HydrophobicContact CG2-CE2 3.47Å; I447-Y499 VanDerWaalsContact CG2-CE2 3.47Å
448	F	93.6	Very high	87.9	Confident	93 Å²	93	77.3 Å²	77.3	41%	0.408	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.9	-179	-58.5	-87.7	0	0	0	111	D446 E450 H496 K497 I498 Y499	D446-F448 HydrophobicContact CB-CE2 3.71Å; D446-F448 HydrophobicContact CB-CZ 4.04Å; F448-E450 VanDerWaalsContact C-N 3.3Å; F448-E450 PolarHBondContact O-N 3.42Å; F448-H496 HydrophobicContact CD2-CB 4.25Å; F448-H496 HydrophobicContact CE2-CB 3.85Å; F448-H496 AromaticContact CE2-CG 3.81Å; F448-K497 PolarHBondContact N-O 3.38Å; F448-I498 HydrophobicContact CB-CG1 4.24Å; F448-I498 HydrophobicContact CB-CG2 4.48Å; F448-I498 HydrophobicContact CD2-CG1 4.11Å; F448-Y499 WeakPolarHBondContact O-CD2 3.12Å; F448-Y499 PolarHBondContact O-N 3Å; F448-Y499 VanDerWaalsContact O-N 3.15Å
449	N	90.4	Very high	88.3	Confident	96 Å²	96	76.6 Å²	76.6	51%	0.513	39%	0.392	S	S	.	.	S	Bend	trans	56.3	38.3	-179.9	-58	-14.2	0	0	0	113.5	Y499 H501	N449-Y499 WeakPolarHBondContact O-CB 3.08Å; N449-H501 PolarHBondContact O-NE2 3.08Å
450	E	85	Confident	88.1	Confident	71 Å²	71	76.6 Å²	76.6	33%	0.332	40%	0.402	S	S	.	.			trans	-73.7	-36.2	-173.5	-173.5	172.1	-167.7	0	0	115.1	K422 I447 F448 Y499	K422-E450 WeakPolarHBondContact CE-OE1 3.34Å; K422-E450 IonicContact NZ-OE1 2.63Å; K422-E450 PolarHBondContact NZ-OE1 3.04Å; I447-E450 HydrophobicContact CG2-CB 3.85Å; I447-E450 HydrophobicContact CG2-CG 4.2Å; F448-E450 VanDerWaalsContact C-N 3.3Å; F448-E450 PolarHBondContact O-N 3.42Å; E450-Y499 HydrophobicContact CB-CD2 4.17Å; E450-Y499 HydrophobicContact CB-CE2 3.95Å; E450-Y499 HydrophobicContact CG-CD2 4.4Å; E450-Y499 HydrophobicContact CG-CE2 3.81Å
451	K	76.6	Confident	87.7	Confident	168 Å²	168	78.6 Å²	78.6	73%	0.73	41%	0.414	S	S	*	.			trans	-131	139	-177.5	-66	-174.2	-179.9	179.5	0	108.9
452	Q	71.7	Confident	87.3	Confident	69 Å²	69	81.2 Å²	81.2	32%	0.322	42%	0.424	S	S	.	.			trans	-131.3	130	164.6	-73.9	-176.9	-33.5	0	0	109.1	N454 N468 H501	Q452-N454 PolarHBondContact O-N 3.41Å; Q452-N468 PolarHBondContact OE1-ND2 2.8Å; Q452-N468 PolarHBondContact OE1-O 3.04Å; Q452-N468 PolarHBondContact OE1-OD1 2.95Å; Q452-H501 PolarHBondContact OE1-CE1 3.26Å; Q452-H501 VanDerWaalsContact OE1-CG 3.32Å; Q452-H501 PolarHBondContact OE1-ND1 2.72Å
453	N	70.4	Confident	86.9	Confident	156 Å²	156	82.5 Å²	82.5	83%	0.834	44%	0.435	S	S	*	.	S	Bend	trans	-80.1	-0.4	-176.1	-65.2	-8.9	0	0	0	113.2
454	N	84.7	Confident	86.8	Confident	121 Å²	121	80.8 Å²	80.8	65%	0.647	43%	0.426	S	S	*	.			trans	-117.5	43.1	-167.4	-61.4	-2	0	0	0	111.7	Q452 V456 N468	Q452-N454 PolarHBondContact O-N 3.41Å; N454-V456 PolarHBondContact O-N 3.11Å; N454-N468 PolarHBondContact O-ND2 2.85Å
455	T	85.9	Confident	86.7	Confident	35 Å²	35	75.3 Å²	75.3	22%	0.215	41%	0.405	C	S	.	.			trans	-65.7	125	170.3	54.7	0	0	0	0	109.2	E414	E414-T455 WeakPolarHBondContact OE2-CG2 3.43Å
456	V	90.2	Very high	86.6	Confident	71 Å²	71	75 Å²	75	43%	0.43	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119	179.4	-178	0	0	0	0	109.1	N454 Q467	N454-V456 PolarHBondContact O-N 3.11Å; V456-Q467 HydrophobicContact CB-CB 4.2Å; V456-Q467 PolarHBondContact N-O 2.89Å; V456-Q467 PolarHBondContact O-N 3.18Å
457	F	92.1	Very high	86.5	Confident	80 Å²	80	75.6 Å²	75.6	35%	0.351	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.4	170.5	-176.6	-120.9	0	0	0	109.8	L402 C410 N459 W464	L402-F457 HydrophobicContact CD1-CE2 4.41Å; L402-F457 HydrophobicContact CD1-CZ 4.08Å; L402-F457 HydrophobicContact CD2-CZ 3.84Å; C410-F457 VanDerWaalsContact SG-CD2 3.54Å; F457-N459 HydrophobicContact CD1-CB 4.23Å; F457-N459 HydrophobicContact CE1-CB 3.58Å; F457-N459 HydrophobicContact CZ-CB 3.91Å; F457-W464 HydrophobicContact CE2-CB 4.23Å; F457-W464 HydrophobicContact CE2-CD2 4.45Å; F457-W464 AromaticContact CE2-CE3 3.85Å; F457-W464 HydrophobicContact CE2-CE3 3.85Å; F457-W464 HydrophobicContact CZ-CB 4.43Å
458	S	91.3	Very high	86.4	Confident	44 Å²	44	75 Å²	75	31%	0.308	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.8	172.7	-50.8	0	0	0	0	108.6	W464 S465	S458-W464 CarbonylContact O-C 3.52Å; S458-W464 WeakPolarHBondContact O-CA 3.23Å; S458-S465 PolarHBondContact N-O 2.62Å; S458-S465 PolarHBondContact O-N 3.22Å
459	N	88.7	Confident	86.3	Confident	99 Å²	99	70.6 Å²	70.6	53%	0.529	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.2	-180	-169.1	26	0	0	0	110.2	F457	F457-N459 HydrophobicContact CD1-CB 4.23Å; F457-N459 HydrophobicContact CE1-CB 3.58Å; F457-N459 HydrophobicContact CZ-CB 3.91Å
460	G	83.8	Confident	86.4	Confident	42 Å²	42	66 Å²	66	43%	0.433	36%	0.357	S	S	.	.			trans	-96.8	179.6	169	0	0	0	0	0	111.5	K462 S463	G460-K462 PolarHBondContact O-N 2.99Å; G460-S463 CarbonylContact C-O 3.5Å; G460-S463 VanDerWaalsContact CA-O 3.25Å; G460-S463 WeakPolarHBondContact CA-O 3.47Å; G460-S463 PolarHBondContact N-O 3.03Å
461	T	78.6	Confident	86.8	Confident	151 Å²	151	64.3 Å²	64.3	93%	0.926	35%	0.35	S	S	*	.	S	Bend	trans	-62.6	-39	-178	48.8	0	0	0	0	113.6
462	K	79.9	Confident	87.6	Confident	80 Å²	80	56.3 Å²	56.3	35%	0.348	32%	0.315	S	S	.	.	S	Bend	trans	-127.7	-1.1	-179.5	-59.9	-165.9	-179.5	-156.3	0	114.2	G460 C508 C513 D516	G460-K462 PolarHBondContact O-N 2.99Å; K462-C508 HydrophobicContact CB-CB 3.98Å; K462-C508 WeakPolarHBondContact O-CB 3.28Å; K462-C513 HydrophobicContact CD-CB 4.47Å; K462-C513 WeakPolarHBondContact CD-O 3.41Å; K462-C513 VanDerWaalsContact CE-O 3.32Å; K462-C513 WeakPolarHBondContact CE-O 3.15Å; K462-C513 PolarHBondContact NZ-O 3.31Å; K462-D516 IonicContact NZ-OD1 2.82Å; K462-D516 PolarHBondContact NZ-OD1 3.17Å; K462-D516 VanDerWaalsContact NZ-OD1 3.12Å
463	S	87.5	Confident	88.7	Confident	39 Å²	39	53.2 Å²	53.2	27%	0.273	30%	0.301	S	S	.	.			trans	-134.8	147.4	-177.4	-61.5	0	0	0	0	110.1	G460 Y506 C508	G460-S463 CarbonylContact C-O 3.5Å; G460-S463 VanDerWaalsContact CA-O 3.25Å; G460-S463 WeakPolarHBondContact CA-O 3.47Å; G460-S463 PolarHBondContact N-O 3.03Å; S463-Y506 CarbonylContact C-O 3.51Å; S463-Y506 WeakPolarHBondContact CA-O 2.93Å; S463-Y506 WeakPolarHBondContact CB-O 3.17Å; S463-C508 PolarHBondContact OG-N 3.38Å
464	W	91.6	Very high	89.9	Confident	9 Å²	9	47.7 Å²	47.7	3%	0.034	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.9	175.7	65.4	-86.4	0	0	0	110.1	L399 K400 L402 N405 L413 F457 S458 G505 Y506	L399-W464 HydrophobicContact CB-CZ2 4.14Å; L399-W464 HydrophobicContact CD1-CH2 3.79Å; L399-W464 HydrophobicContact CD1-CZ2 4.03Å; L399-W464 HydrophobicContact CD2-CH2 3.94Å; L399-W464 HydrophobicContact CD2-CZ2 4.15Å; L399-W464 HydrophobicContact CG-CH2 4.35Å; L399-W464 HydrophobicContact CG-CZ2 4.34Å; K400-W464 PolarHBondContact O-NE1 2.76Å; L402-W464 HydrophobicContact CB-CG 4.14Å; L402-W464 HydrophobicContact CD1-CD2 4.09Å; L402-W464 HydrophobicContact CD1-CG 4.14Å; N405-W464 WeakPolarHBondContact ND2-CZ2 3.44Å; L413-W464 HydrophobicContact CD2-CH2 4.03Å; L413-W464 HydrophobicContact CD2-CZ3 4.04Å; F457-W464 HydrophobicContact CE2-CB 4.23Å; F457-W464 HydrophobicContact CE2-CD2 4.45Å; F457-W464 AromaticContact CE2-CE3 3.85Å; F457-W464 HydrophobicContact CE2-CE3 3.85Å; F457-W464 HydrophobicContact CZ-CB 4.43Å; S458-W464 CarbonylContact O-C 3.52Å; S458-W464 WeakPolarHBondContact O-CA 3.23Å; W464-G505 CarbonylContact O-C 3.51Å; W464-G505 VanDerWaalsContact O-C 3.28Å; W464-G505 WeakPolarHBondContact O-CA 2.98Å; W464-Y506 PolarHBondContact N-O 2.66Å; W464-Y506 VanDerWaalsContact NE1-CB 3.29Å; W464-Y506 PolarHBondContact O-N 3.35Å
465	S	93.5	Very high	90.5	Very high	20 Å²	20	42 Å²	42	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.9	176.8	63.7	0	0	0	0	113.1	S458 I504	S458-S465 PolarHBondContact N-O 2.62Å; S458-S465 PolarHBondContact O-N 3.22Å; S465-I504 CarbonylContact C-O 3.28Å; S465-I504 WeakPolarHBondContact CA-O 3.4Å
466	C	94.2	Very high	91	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.9	168.3	-70.1	0	0	0	0	109.1	C410 L413 I469 T503 I504	C410-C466 WeakPolarHBondContact CA-SG 3.44Å; C410-C466 HydrophobicContact CB-CB 3.75Å; C410-C466 WeakPolarHBondContact CB-SG 3.26Å; C410-C466 WeakPolarHBondContact SG-CA 3.47Å; C410-C466 WeakPolarHBondContact SG-CB 3.13Å; C410-C466 CovalentContact SG-SG 2.04Å; C410-C466 PolarHBondContact SG-SG 2.79Å; L413-C466 HydrophobicContact CD2-CB 4.33Å; C466-I469 HydrophobicContact CB-CD1 4.27Å; C466-I469 HydrophobicContact CB-CG2 4.25Å; C466-T503 WeakPolarHBondContact O-CA 3.01Å; C466-I504 HydrophobicContact CB-CG2 4.46Å; C466-I504 PolarHBondContact N-O 3.37Å; C466-I504 PolarHBondContact O-N 2.97Å
467	Q	93.7	Very high	91.4	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	154.6	173.4	-52.1	-178.9	6.8	0	0	109.9	V456 I469 T503	V456-Q467 HydrophobicContact CB-CB 4.2Å; V456-Q467 PolarHBondContact N-O 2.89Å; V456-Q467 PolarHBondContact O-N 3.18Å; Q467-I469 PolarHBondContact O-N 2.85Å; Q467-T503 HydrophobicContact CG-CG2 3.86Å
468	N	92.1	Very high	91.5	Very high	51 Å²	51	36.4 Å²	36.4	27%	0.273	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64.5	29.7	173.5	-151.7	44.3	0	0	0	113.6	Q452 N454 H501 G502	Q452-N468 PolarHBondContact OE1-ND2 2.8Å; Q452-N468 PolarHBondContact OE1-O 3.04Å; Q452-N468 PolarHBondContact OE1-OD1 2.95Å; N454-N468 PolarHBondContact O-ND2 2.85Å; N468-H501 PolarHBondContact O-ND1 3.37Å; N468-G502 PolarHBondContact N-O 3.47Å
469	I	91.5	Very high	91.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.2	179.7	-171.4	167.8	0	0	0	110.5	L413 E414 I417 C466 Q467 I471 H501 G502 I504	L413-I469 HydrophobicContact CB-CD1 3.98Å; L413-I469 HydrophobicContact CD2-CD1 3.91Å; L413-I469 HydrophobicContact CG-CD1 3.71Å; E414-I469 HydrophobicContact CB-CD1 3.7Å; E414-I469 HydrophobicContact CB-CG1 3.73Å; E414-I469 HydrophobicContact CG-CD1 4.43Å; E414-I469 HydrophobicContact CG-CG1 3.91Å; I417-I469 HydrophobicContact CD1-CD1 4.06Å; I417-I469 HydrophobicContact CD1-CG1 4.36Å; C466-I469 HydrophobicContact CB-CD1 4.27Å; C466-I469 HydrophobicContact CB-CG2 4.25Å; Q467-I469 PolarHBondContact O-N 2.85Å; I469-I471 HydrophobicContact CG2-CG2 4.26Å; I469-I471 PolarHBondContact O-N 3.19Å; I469-H501 CarbonylContact O-C 3.52Å; I469-H501 VanDerWaalsContact O-CA 3.25Å; I469-H501 WeakPolarHBondContact O-CA 3.39Å; I469-G502 PolarHBondContact N-O 2.71Å; I469-G502 VanDerWaalsContact N-O 3.1Å; I469-G502 PolarHBondContact O-N 2.75Å; I469-I504 HydrophobicContact CG2-CB 4.48Å; I469-I504 HydrophobicContact CG2-CG2 3.68Å
470	I	92.1	Very high	91.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	124.8	173.1	-60.3	170.7	0	0	0	109.8	I417 L421 Y499 K500	I417-I470 WeakPolarHBondContact CD1-O 3.34Å; I417-I470 HydrophobicContact CG2-CB 4.48Å; I417-I470 HydrophobicContact CG2-CG2 4.24Å; I417-I470 WeakPolarHBondContact CG2-O 3.38Å; L421-I470 HydrophobicContact CD1-CG2 3.5Å; I470-Y499 HydrophobicContact CD1-CD1 4.03Å; I470-Y499 HydrophobicContact CD1-CE1 4.5Å; I470-Y499 HydrophobicContact CD1-CG 4.13Å; I470-Y499 HydrophobicContact CG1-CD1 4.48Å; I470-Y499 HydrophobicContact CG1-CG 4.45Å; I470-Y499 HydrophobicContact CG2-CD1 3.84Å; I470-Y499 HydrophobicContact CG2-CG 4.45Å; I470-K500 WeakPolarHBondContact CA-O 3.42Å
471	I	92.1	Very high	91.4	Very high	36 Å²	36	35.7 Å²	35.7	19%	0.185	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-1.2	175.3	58.3	163.4	0	0	0	112.4	I469 K500 I504 I527 T528	I469-I471 HydrophobicContact CG2-CG2 4.26Å; I469-I471 PolarHBondContact O-N 3.19Å; I471-K500 HydrophobicContact CD1-CD 4.22Å; I471-K500 HydrophobicContact CD1-CG 4.25Å; I471-K500 HydrophobicContact CG1-CB 4.47Å; I471-K500 HydrophobicContact CG1-CD 4.38Å; I471-K500 HydrophobicContact CG1-CG 4.08Å; I471-K500 WeakPolarHBondContact CG1-O 3.48Å; I471-K500 PolarHBondContact N-O 3.15Å; I471-I504 HydrophobicContact CG2-CB 4.46Å; I471-I527 WeakPolarHBondContact O-CA 3.11Å; I471-T528 PolarHBondContact O-N 3.39Å
472	G	93.7	Very high	91.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-173.4	178.7	0	0	0	0	0	113.1	K500 T528	G472-K500 PolarHBondContact N-O 3.44Å; G472-K500 PolarHBondContact O-N 3.28Å; G472-T528 CarbonylContact C-O 3.55Å; G472-T528 WeakPolarHBondContact CA-O 3.42Å
473	Q	94.8	Very high	90.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.7	-179.6	66.1	-174	-14.8	0	0	112.3	L421 I498 Y499 T528 T529 N530	L421-Q473 HydrophobicContact CD2-CG 4.05Å; L421-Q473 PolarHBondContact O-OE1 3.27Å; Q473-I498 CarbonylContact C-O 3.46Å; Q473-I498 VanDerWaalsContact CA-O 3.26Å; Q473-I498 WeakPolarHBondContact CA-O 3.44Å; Q473-Y499 HydrophobicContact CB-CD1 4.13Å; Q473-Y499 HydrophobicContact CB-CE1 4.49Å; Q473-T528 PolarHBondContact N-O 2.98Å; Q473-T529 HydrophobicContact CG-CG2 3.82Å; Q473-T529 WeakPolarHBondContact CG-OG1 3.4Å; Q473-T529 PolarHBondContact NE2-OG1 2.85Å; Q473-T529 WeakPolarHBondContact O-CA 3.33Å; Q473-N530 PolarHBondContact O-N 3.07Å
474	T	96.3	Very high	89.4	Confident	40 Å²	40	34.7 Å²	34.7	25%	0.245	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.1	166	-57	0	0	0	0	109.4	K497 I498 N530 L532	T474-K497 WeakPolarHBondContact O-CA 3.43Å; T474-I498 PolarHBondContact N-O 2.03Å; T474-I498 PolarHBondContact O-N 2.86Å; T474-N530 CarbonylContact C-O 3.6Å; T474-N530 VanDerWaalsContact CA-O 3.24Å; T474-N530 WeakPolarHBondContact CA-O 3.42Å; T474-N530 HydrophobicContact CG2-CB 4.44Å; T474-L532 HydrophobicContact CG2-CD1 4.17Å
475	I	96.7	Very high	87.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.2	176.3	-59.9	165.8	0	0	0	107.1	W367 I369 I385 I477 V495 H496 K497 T529 N530 V531 L532	W367-I475 HydrophobicContact CH2-CD1 4.47Å; W367-I475 HydrophobicContact CH2-CG2 3.69Å; W367-I475 HydrophobicContact CZ2-CD1 3.65Å; W367-I475 HydrophobicContact CZ2-CG1 4.16Å; W367-I475 HydrophobicContact CZ2-CG2 3.97Å; W367-I475 HydrophobicContact CZ3-CG2 4.26Å; I369-I475 HydrophobicContact CG2-CD1 4.33Å; I385-I475 HydrophobicContact CD1-CD1 3.87Å; I385-I475 HydrophobicContact CD1-CG2 4.38Å; I475-I477 HydrophobicContact CG2-CD1 4.42Å; I475-I477 HydrophobicContact CG2-CG1 4.12Å; I475-V495 HydrophobicContact CG2-CG1 4.08Å; I475-H496 CarbonylContact C-O 3.51Å; I475-H496 WeakPolarHBondContact CA-O 3.44Å; I475-K497 HydrophobicContact CG1-CG 4.3Å; I475-T529 HydrophobicContact CD1-CG2 4.16Å; I475-N530 PolarHBondContact N-O 3.39Å; I475-V531 HydrophobicContact CB-CG1 4.42Å; I475-V531 HydrophobicContact CB-CG2 4.34Å; I475-V531 HydrophobicContact CD1-CG2 4.36Å; I475-V531 WeakPolarHBondContact O-CA 3.45Å; I475-L532 PolarHBondContact O-N 3.15Å
476	N	97.5	Very high	86.3	Confident	14 Å²	14	51 Å²	51	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.5	175.7	-64.8	-68.4	0	0	0	109.1	Y478 V495 H496 L532 H534	N476-Y478 HydrophobicContact CB-CD2 4.44Å; N476-Y478 HydrophobicContact CB-CE2 3.61Å; N476-V495 CarbonylContact O-C 3.54Å; N476-V495 WeakPolarHBondContact O-CA 3.3Å; N476-H496 HydrophobicContact CB-CB 4.35Å; N476-H496 PolarHBondContact N-O 3.11Å; N476-H496 PolarHBondContact O-N 2.06Å; N476-L532 CarbonylContact C-O 3.55Å; N476-L532 WeakPolarHBondContact CA-O 3.33Å; N476-H534 PolarHBondContact OD1-NE2 3.38Å
477	I	97.3	Very high	84.7	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.9	177.7	-60.8	168.6	0	0	0	107.4	I328 I385 I475 I492 V495 V531 L532 F533 H534	I328-I477 HydrophobicContact CD1-CD1 4.27Å; I328-I477 HydrophobicContact CG1-CD1 4.13Å; I385-I477 HydrophobicContact CG2-CD1 3.9Å; I475-I477 HydrophobicContact CG2-CD1 4.42Å; I475-I477 HydrophobicContact CG2-CG1 4.12Å; I477-I492 HydrophobicContact CG2-CD1 4.1Å; I477-I492 HydrophobicContact CG2-CG1 4.09Å; I477-I492 HydrophobicContact CG2-CG2 4.15Å; I477-V495 HydrophobicContact CG1-CG1 4.07Å; I477-V495 HydrophobicContact CG1-CG2 4.49Å; I477-V531 HydrophobicContact CD1-CG1 4.05Å; I477-L532 PolarHBondContact N-O 3.28Å; I477-F533 HydrophobicContact CB-CD1 3.9Å; I477-F533 HydrophobicContact CB-CE1 3.88Å; I477-F533 HydrophobicContact CB-CG 4.43Å; I477-F533 HydrophobicContact CB-CZ 4.4Å; I477-F533 HydrophobicContact CD1-CE1 3.76Å; I477-F533 HydrophobicContact CD1-CE2 4.01Å; I477-F533 HydrophobicContact CD1-CZ 3.46Å; I477-F533 VanDerWaalsContact CD1-CZ 3.46Å; I477-F533 HydrophobicContact CG1-CE1 4.43Å; I477-F533 HydrophobicContact CG2-CD1 3.83Å; I477-F533 HydrophobicContact CG2-CE1 3.63Å; I477-F533 HydrophobicContact CG2-CZ 4.46Å; I477-F533 CarbonylContact O-C 3.47Å; I477-F533 WeakPolarHBondContact O-CA 3.26Å; I477-H534 PolarHBondContact O-N 3.25Å
478	Y	94.9	Very high	83.7	Confident	56 Å²	56	54.3 Å²	54.3	22%	0.22	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.6	177	-58.7	-89.8	0	0	0	108.3	N476 I493 A494 H496 H534 L536	N476-Y478 HydrophobicContact CB-CD2 4.44Å; N476-Y478 HydrophobicContact CB-CE2 3.61Å; Y478-I493 PolarHBondContact O-N 3.33Å; Y478-A494 HydrophobicContact CD2-CB 4Å; Y478-A494 HydrophobicContact CG-CB 4.44Å; Y478-A494 PolarHBondContact N-O 2.83Å; Y478-A494 PolarHBondContact O-N 2.8Å; Y478-H496 HydrophobicContact CE2-CB 4.47Å; Y478-H496 AromaticContact CE2-CE1 3.77Å; Y478-H496 AromaticContact CE2-CG 3.92Å; Y478-H496 AromaticContact CE2-ND1 3.46Å; Y478-H496 WeakPolarHBondContact CE2-ND1 3.44Å; Y478-H534 WeakPolarHBondContact CA-O 3.39Å; Y478-H534 HydrophobicContact CD1-CB 3.52Å; Y478-H534 AromaticContact CD1-CD2 3.98Å; Y478-H534 AromaticContact CD1-CG 3.92Å; Y478-H534 HydrophobicContact CE1-CB 3.85Å; Y478-H534 AromaticContact CE1-CD2 3.66Å; Y478-H534 AromaticContact CE1-CG 3.74Å; Y478-H534 HydrophobicContact CG-CB 4.33Å; Y478-H534 AromaticContact CZ-CD2 3.94Å; Y478-L536 HydrophobicContact CD1-CD1 4.36Å; Y478-L536 HydrophobicContact CD1-CD2 4.19Å; Y478-L536 HydrophobicContact CD1-CG 4.5Å
479	Y	93.5	Very high	83.2	Confident	32 Å²	32	54 Å²	54	13%	0.125	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.9	-178.3	78.6	-87.9	0	0	0	110.6	F387 C491 F533 H534 D535 L536	F387-Y479 HydrophobicContact CE2-CD2 4.33Å; F387-Y479 HydrophobicContact CE2-CG 4.03Å; F387-Y479 HydrophobicContact CZ-CD1 4.35Å; F387-Y479 AromaticContact CZ-CD2 3.64Å; F387-Y479 HydrophobicContact CZ-CD2 3.64Å; F387-Y479 HydrophobicContact CZ-CE2 4.11Å; F387-Y479 AromaticContact CZ-CG 3.78Å; F387-Y479 HydrophobicContact CZ-CG 3.78Å; Y479-C491 CarbonylContact C-O 3.54Å; Y479-C491 WeakPolarHBondContact CA-O 3.32Å; Y479-C491 VanDerWaalsContact CB-O 3.24Å; Y479-C491 WeakPolarHBondContact CB-O 3.25Å; Y479-F533 HydrophobicContact CD1-CB 4.33Å; Y479-F533 HydrophobicContact CD1-CD1 4.04Å; Y479-F533 HydrophobicContact CE1-CB 4.07Å; Y479-F533 HydrophobicContact CE1-CD1 4.36Å; Y479-H534 WeakPolarHBondContact CD1-O 3.29Å; Y479-H534 PolarHBondContact N-O 2.92Å; Y479-D535 HydrophobicContact CE1-CB 3.92Å; Y479-D535 HydrophobicContact CE2-CB 4.12Å; Y479-D535 WeakPolarHBondContact CE2-OD2 3.26Å; Y479-D535 VanDerWaalsContact CZ-CG 3.48Å; Y479-D535 VanDerWaalsContact CZ-OD2 3.31Å; Y479-D535 WeakPolarHBondContact OH-CB 3.29Å; Y479-D535 VanDerWaalsContact OH-CG 3.27Å; Y479-D535 PolarHBondContact OH-OD2 3.26Å; Y479-L536 PolarHBondContact O-N 3.44Å
480	A	86.5	Confident	83	Confident	10 Å²	10	55.6 Å²	55.6	8%	0.083	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.5	175.4	0	0	0	0	0	110	C491 I493 L536	A480-C491 PolarHBondContact N-O 3.39Å; A480-C491 PolarHBondContact O-N 3.22Å; A480-C491 PolarHBondContact O-SG 2.97Å; A480-I493 HydrophobicContact CB-CD1 4.14Å; A480-I493 HydrophobicContact CB-CG1 3.88Å; A480-L536 HydrophobicContact CB-CB 4.27Å
481	R	81.2	Confident	82.7	Confident	128 Å²	128	55.6 Å²	55.6	48%	0.483	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.9	169.7	-53.7	-177.6	-177.9	163.3	5	110.2	P488 Q489 N490 T537	R481-P488 HydrophobicContact CB-CB 3.68Å; R481-P488 HydrophobicContact CB-CG 4.03Å; R481-Q489 CarbonylContact C-O 3.59Å; R481-Q489 VanDerWaalsContact CA-O 3.29Å; R481-Q489 WeakPolarHBondContact CA-O 3.25Å; R481-N490 WeakPolarHBondContact CG-OD1 3.44Å; R481-T537 HydrophobicContact CB-CG2 3.76Å; R481-T537 HydrophobicContact CG-CG2 4.03Å; R481-T537 PolarHBondContact N-OG1 3.46Å
482	K	72.8	Confident	82.8	Confident	112 Å²	112	54 Å²	54	49%	0.487	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.9	177.4	-70.5	-173.8	-178.7	173.5	0	110.8	W431 Q489 C491	W431-K482 HydrophobicContact CH2-CB 3.99Å; K482-Q489 PolarHBondContact N-O 3.47Å; K482-Q489 PolarHBondContact O-N 3.41Å; K482-C491 VanDerWaalsContact CD-SG 3.59Å
483	G	69.6	Low	82.7	Confident	69 Å²	69	56.6 Å²	56.6	71%	0.711	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	124.1	-149.2	177.1	0	0	0	0	0	112.5
484	S	61.1	Low	82.7	Confident	68 Å²	68	57.4 Å²	57.4	48%	0.476	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	138.3	178.2	177.4	0	0	0	0	111.1	Y486 D487 P488	S484-Y486 PolarHBondContact O-N 2.02Å; S484-Y486 VanDerWaalsContact O-N 3.15Å; S484-Y486 PolarHBondContact OG-N 3.28Å; S484-D487 CarbonylContact O-C 3.58Å; S484-D487 VanDerWaalsContact O-C 3.26Å; S484-D487 PolarHBondContact O-N 3.23Å; S484-P488 WeakPolarHBondContact O-CA 3.37Å; S484-P488 WeakPolarHBondContact O-CB 3.17Å; S484-P488 WeakPolarHBondContact O-CD 3.48Å
485	L	61.5	Low	82.8	Confident	155 Å²	155	55.5 Å²	55.5	81%	0.812	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.7	174.9	-175.6	64.4	0	0	0	112.3
486	Y	58.4	Low	82.7	Confident	215 Å²	215	57.8 Å²	57.8	84%	0.843	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-17.1	-179.6	-63.8	-74.4	0	0	0	114.2	S484	S484-Y486 PolarHBondContact O-N 2.02Å; S484-Y486 VanDerWaalsContact O-N 3.15Å; S484-Y486 PolarHBondContact OG-N 3.28Å
487	D	61.8	Low	82.7	Confident	105 Å²	105	57.4 Å²	57.4	56%	0.561	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	63	-178.1	-171.5	26.4	0	0	0	111.5	S484 Q489	S484-D487 CarbonylContact O-C 3.58Å; S484-D487 VanDerWaalsContact O-C 3.26Å; S484-D487 PolarHBondContact O-N 3.23Å; D487-Q489 VanDerWaalsContact CG-NE2 3.3Å; D487-Q489 PolarHBondContact O-NE2 3.33Å; D487-Q489 PolarHBondContact OD1-NE2 2.84Å; D487-Q489 PolarHBondContact OD2-NE2 2.83Å
488	P	73.5	Confident	82.6	Confident	46 Å²	46	60.1 Å²	60.1	30%	0.299	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.4	-175.3	37	-38.9	0	0	0	109.9	R481 S484	R481-P488 HydrophobicContact CB-CB 3.68Å; R481-P488 HydrophobicContact CB-CG 4.03Å; S484-P488 WeakPolarHBondContact O-CA 3.37Å; S484-P488 WeakPolarHBondContact O-CB 3.17Å; S484-P488 WeakPolarHBondContact O-CD 3.48Å
489	Q	80	Confident	82.5	Confident	45 Å²	45	57.7 Å²	57.7	21%	0.21	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.8	-169.4	-60.5	-63.1	-46.7	0	0	110.9	P320 W431 R481 K482 D487 C491	P320-Q489 HydrophobicContact CG-CB 4.11Å; P320-Q489 HydrophobicContact CG-CG 3.84Å; W431-Q489 HydrophobicContact CH2-CB 4.34Å; W431-Q489 HydrophobicContact CZ3-CB 3.71Å; R481-Q489 CarbonylContact C-O 3.59Å; R481-Q489 VanDerWaalsContact CA-O 3.29Å; R481-Q489 WeakPolarHBondContact CA-O 3.25Å; K482-Q489 PolarHBondContact N-O 3.47Å; K482-Q489 PolarHBondContact O-N 3.41Å; D487-Q489 VanDerWaalsContact CG-NE2 3.3Å; D487-Q489 PolarHBondContact O-NE2 3.33Å; D487-Q489 PolarHBondContact OD1-NE2 2.84Å; D487-Q489 PolarHBondContact OD2-NE2 2.83Å; Q489-C491 PolarHBondContact O-N 2.77Å
490	N	87.5	Confident	82.6	Confident	33 Å²	33	62 Å²	62	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.2	-178.7	-64	-44.9	0	0	0	112.1	G321 Y322 F387 R481	G321-N490 CarbonylContact C-O 3.59Å; G321-N490 WeakPolarHBondContact CA-O 3.45Å; Y322-N490 PolarHBondContact N-O 2.94Å; Y322-N490 WeakPolarHBondContact O-CB 3.07Å; Y322-N490 PolarHBondContact O-ND2 2.94Å; F387-N490 HydrophobicContact CE1-CB 3.8Å; F387-N490 HydrophobicContact CZ-CB 3.6Å; R481-N490 WeakPolarHBondContact CG-OD1 3.44Å
491	C	86.2	Confident	82.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	168.4	59.2	0	0	0	0	112.7	I430 W431 Y479 A480 K482 Q489	I430-C491 HydrophobicContact CG2-CB 4.02Å; I430-C491 CarbonylContact O-C 3.59Å; I430-C491 WeakPolarHBondContact O-CA 3.37Å; I430-C491 WeakPolarHBondContact O-CB 3.38Å; W431-C491 HydrophobicContact CD2-CB 3.77Å; W431-C491 HydrophobicContact CE3-CB 3.55Å; W431-C491 HydrophobicContact CH2-CB 3.56Å; W431-C491 HydrophobicContact CZ2-CB 3.74Å; W431-C491 HydrophobicContact CZ3-CB 3.46Å; W431-C491 VanDerWaalsContact CZ3-CB 3.46Å; Y479-C491 CarbonylContact C-O 3.54Å; Y479-C491 WeakPolarHBondContact CA-O 3.32Å; Y479-C491 VanDerWaalsContact CB-O 3.24Å; Y479-C491 WeakPolarHBondContact CB-O 3.25Å; A480-C491 PolarHBondContact N-O 3.39Å; A480-C491 PolarHBondContact O-N 3.22Å; A480-C491 PolarHBondContact O-SG 2.97Å; K482-C491 VanDerWaalsContact CD-SG 3.59Å; Q489-C491 PolarHBondContact O-N 2.77Å
492	I	94.6	Very high	83.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.8	173.2	-62.5	175	0	0	0	108.8	Y322 I328 F387 V428 I430 I443 I477 V495	Y322-I492 HydrophobicContact CD2-CD1 4.2Å; Y322-I492 HydrophobicContact CD2-CG1 4.1Å; Y322-I492 HydrophobicContact CE2-CD1 3.51Å; Y322-I492 HydrophobicContact CE2-CG1 3.75Å; I328-I492 HydrophobicContact CD1-CD1 3.68Å; I328-I492 HydrophobicContact CG2-CD1 4.26Å; F387-I492 HydrophobicContact CE2-CG1 4.3Å; V428-I492 HydrophobicContact CG1-CD1 3.73Å; I430-I492 PolarHBondContact O-N 3.43Å; I443-I492 HydrophobicContact CG2-CG2 4.44Å; I477-I492 HydrophobicContact CG2-CD1 4.1Å; I477-I492 HydrophobicContact CG2-CG1 4.09Å; I477-I492 HydrophobicContact CG2-CG2 4.15Å; I492-V495 HydrophobicContact CG2-CG2 3.56Å
493	I	91.9	Very high	84.4	Confident	55 Å²	55	56.8 Å²	56.8	28%	0.282	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-37.3	-176.5	-55.1	-59.1	0	0	0	111.7	I443 Y478 A480 L536	I443-I493 WeakPolarHBondContact CD1-O 3.4Å; Y478-I493 PolarHBondContact O-N 3.33Å; A480-I493 HydrophobicContact CB-CD1 4.14Å; A480-I493 HydrophobicContact CB-CG1 3.88Å; I493-L536 HydrophobicContact CB-CD1 4.48Å
494	A	94.4	Very high	85.5	Confident	21 Å²	21	53.8 Å²	53.8	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	151.7	179.5	0	0	0	0	0	110.2	Y478	Y478-A494 HydrophobicContact CD2-CB 4Å; Y478-A494 HydrophobicContact CG-CB 4.44Å; Y478-A494 PolarHBondContact N-O 2.83Å; Y478-A494 PolarHBondContact O-N 2.8Å
495	V	97.3	Very high	86.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	122.1	172.6	-170.5	0	0	0	0	109.6	W367 V428 L445 D446 I475 N476 I477 I492	W367-V495 HydrophobicContact CH2-CG1 3.77Å; W367-V495 HydrophobicContact CZ3-CG1 3.86Å; V428-V495 HydrophobicContact CB-CG2 4.19Å; V428-V495 HydrophobicContact CG1-CG2 4.18Å; V428-V495 HydrophobicContact CG2-CG2 4.13Å; L445-V495 HydrophobicContact CD1-CB 3.83Å; L445-V495 HydrophobicContact CD1-CG1 3.44Å; L445-V495 VanDerWaalsContact CD1-CG1 3.44Å; D446-V495 PolarHBondContact N-O 3.42Å; I475-V495 HydrophobicContact CG2-CG1 4.08Å; N476-V495 CarbonylContact O-C 3.54Å; N476-V495 WeakPolarHBondContact O-CA 3.3Å; I477-V495 HydrophobicContact CG1-CG1 4.07Å; I477-V495 HydrophobicContact CG1-CG2 4.49Å; I492-V495 HydrophobicContact CG2-CG2 3.56Å
496	H	96.3	Very high	88.3	Confident	48 Å²	48	43.7 Å²	43.7	22%	0.222	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.9	177.8	-57.8	164.5	0	0	0	110.2	D446 F448 I475 N476 Y478	D446-H496 CarbonylContact O-C 2.94Å; D446-H496 WeakPolarHBondContact O-CA 3.39Å; D446-H496 IonicContact OD2-CD2 3.99Å; D446-H496 IonicContact OD2-NE2 3.97Å; F448-H496 HydrophobicContact CD2-CB 4.25Å; F448-H496 HydrophobicContact CE2-CB 3.85Å; F448-H496 AromaticContact CE2-CG 3.81Å; I475-H496 CarbonylContact C-O 3.51Å; I475-H496 WeakPolarHBondContact CA-O 3.44Å; N476-H496 HydrophobicContact CB-CB 4.35Å; N476-H496 PolarHBondContact N-O 3.11Å; N476-H496 PolarHBondContact O-N 2.06Å; Y478-H496 HydrophobicContact CE2-CB 4.47Å; Y478-H496 AromaticContact CE2-CE1 3.77Å; Y478-H496 AromaticContact CE2-CG 3.92Å; Y478-H496 AromaticContact CE2-ND1 3.46Å; Y478-H496 WeakPolarHBondContact CE2-ND1 3.44Å
497	K	95.5	Very high	89.6	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.8	172	-176.6	-177.9	-168.2	-173.6	0	109.4	L421 L445 D446 I447 F448 T474 I475 Y499	L421-K497 WeakPolarHBondContact O-CE 3.39Å; L421-K497 PolarHBondContact O-NZ 2.88Å; L445-K497 HydrophobicContact CD1-CB 4.01Å; L445-K497 HydrophobicContact CD2-CB 4.31Å; L445-K497 HydrophobicContact CD2-CD 4.09Å; L445-K497 HydrophobicContact CG-CB 4.29Å; D446-K497 PolarHBondContact O-N 3.43Å; I447-K497 WeakPolarHBondContact CA-O 2.92Å; F448-K497 PolarHBondContact N-O 3.38Å; T474-K497 WeakPolarHBondContact O-CA 3.43Å; I475-K497 HydrophobicContact CG1-CG 4.3Å; K497-Y499 WeakPolarHBondContact CE-OH 3.4Å; K497-Y499 PolarHBondContact NZ-OH 1.97Å
498	I	95.4	Very high	90.5	Very high	57 Å²	57	35.6 Å²	35.6	29%	0.292	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117	-175.4	-52.6	171.4	0	0	0	108.4	F448 Q473 T474	F448-I498 HydrophobicContact CB-CG1 4.24Å; F448-I498 HydrophobicContact CB-CG2 4.48Å; F448-I498 HydrophobicContact CD2-CG1 4.11Å; Q473-I498 CarbonylContact C-O 3.46Å; Q473-I498 VanDerWaalsContact CA-O 3.26Å; Q473-I498 WeakPolarHBondContact CA-O 3.44Å; T474-I498 PolarHBondContact N-O 2.03Å; T474-I498 PolarHBondContact O-N 2.86Å
499	Y	94.6	Very high	90.5	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.4	173.1	-61.9	-79.3	0	0	0	111.6	L421 K422 I447 F448 N449 E450 I470 Q473 K497	L421-Y499 HydrophobicContact CB-CE1 4.29Å; K422-Y499 WeakPolarHBondContact CE-OH 3.49Å; K422-Y499 HydrophobicContact CG-CE1 4.23Å; K422-Y499 VanDerWaalsContact CG-OH 3.25Å; K422-Y499 WeakPolarHBondContact CG-OH 3.49Å; I447-Y499 HydrophobicContact CG2-CD2 4.21Å; I447-Y499 HydrophobicContact CG2-CE2 3.47Å; I447-Y499 VanDerWaalsContact CG2-CE2 3.47Å; F448-Y499 WeakPolarHBondContact O-CD2 3.12Å; F448-Y499 PolarHBondContact O-N 3Å; F448-Y499 VanDerWaalsContact O-N 3.15Å; N449-Y499 WeakPolarHBondContact O-CB 3.08Å; E450-Y499 HydrophobicContact CB-CD2 4.17Å; E450-Y499 HydrophobicContact CB-CE2 3.95Å; E450-Y499 HydrophobicContact CG-CD2 4.4Å; E450-Y499 HydrophobicContact CG-CE2 3.81Å; I470-Y499 HydrophobicContact CD1-CD1 4.03Å; I470-Y499 HydrophobicContact CD1-CE1 4.5Å; I470-Y499 HydrophobicContact CD1-CG 4.13Å; I470-Y499 HydrophobicContact CG1-CD1 4.48Å; I470-Y499 HydrophobicContact CG1-CG 4.45Å; I470-Y499 HydrophobicContact CG2-CD1 3.84Å; I470-Y499 HydrophobicContact CG2-CG 4.45Å; Q473-Y499 HydrophobicContact CB-CD1 4.13Å; Q473-Y499 HydrophobicContact CB-CE1 4.49Å; K497-Y499 WeakPolarHBondContact CE-OH 3.4Å; K497-Y499 PolarHBondContact NZ-OH 1.97Å
500	K	93.6	Very high	89.9	Confident	122 Å²	122	41.4 Å²	41.4	53%	0.53	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.5	173.2	-175.4	179.8	-179.4	-179	0	108.5	I470 I471 G472	I470-K500 WeakPolarHBondContact CA-O 3.42Å; I471-K500 HydrophobicContact CD1-CD 4.22Å; I471-K500 HydrophobicContact CD1-CG 4.25Å; I471-K500 HydrophobicContact CG1-CB 4.47Å; I471-K500 HydrophobicContact CG1-CD 4.38Å; I471-K500 HydrophobicContact CG1-CG 4.08Å; I471-K500 WeakPolarHBondContact CG1-O 3.48Å; I471-K500 PolarHBondContact N-O 3.15Å; G472-K500 PolarHBondContact N-O 3.44Å; G472-K500 PolarHBondContact O-N 3.28Å
501	H	92.8	Very high	88.7	Confident	33 Å²	33	49.3 Å²	49.3	15%	0.153	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	154.9	173.4	-71.8	-108	0	0	0	111	E414 N449 Q452 N468 I469	E414-H501 IonicContact OE1-CE1 3.44Å; N449-H501 PolarHBondContact O-NE2 3.08Å; Q452-H501 PolarHBondContact OE1-CE1 3.26Å; Q452-H501 VanDerWaalsContact OE1-CG 3.32Å; Q452-H501 PolarHBondContact OE1-ND1 2.72Å; N468-H501 PolarHBondContact O-ND1 3.37Å; I469-H501 CarbonylContact O-C 3.52Å; I469-H501 VanDerWaalsContact O-CA 3.25Å; I469-H501 WeakPolarHBondContact O-CA 3.39Å
502	G	93.1	Very high	87.4	Confident	19 Å²	19	51.2 Å²	51.2	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-162.5	175.3	0	0	0	0	0	112.4	N468 I469	N468-G502 PolarHBondContact N-O 3.47Å; I469-G502 PolarHBondContact N-O 2.71Å; I469-G502 VanDerWaalsContact N-O 3.1Å; I469-G502 PolarHBondContact O-N 2.75Å
503	T	93.4	Very high	85.9	Confident	89 Å²	89	52.3 Å²	52.3	55%	0.546	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.6	177.7	-56.5	0	0	0	0	109.3	C466 Q467	C466-T503 WeakPolarHBondContact O-CA 3.01Å; Q467-T503 HydrophobicContact CG-CG2 3.86Å
504	I	92.7	Very high	84.4	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.6	175.4	-160.3	173.9	0	0	0	109.4	L397 L399 L413 S465 C466 I469 I471 F525 I527	L397-I504 HydrophobicContact CD2-CD1 3.44Å; L397-I504 VanDerWaalsContact CD2-CD1 3.44Å; L397-I504 HydrophobicContact CG-CD1 4.5Å; L399-I504 HydrophobicContact CD1-CD1 4.1Å; L399-I504 HydrophobicContact CD1-CG1 3.8Å; L413-I504 HydrophobicContact CD2-CG2 3.78Å; S465-I504 CarbonylContact C-O 3.28Å; S465-I504 WeakPolarHBondContact CA-O 3.4Å; C466-I504 HydrophobicContact CB-CG2 4.46Å; C466-I504 PolarHBondContact N-O 3.37Å; C466-I504 PolarHBondContact O-N 2.97Å; I469-I504 HydrophobicContact CG2-CB 4.48Å; I469-I504 HydrophobicContact CG2-CG2 3.68Å; I471-I504 HydrophobicContact CG2-CB 4.46Å; I504-F525 HydrophobicContact CD1-CB 3.41Å; I504-F525 VanDerWaalsContact CD1-CB 3.41Å; I504-F525 HydrophobicContact CD1-CD1 3.86Å; I504-F525 HydrophobicContact CD1-CD2 3.91Å; I504-F525 HydrophobicContact CD1-CG 3.43Å; I504-F525 VanDerWaalsContact CD1-CG 3.43Å; I504-F525 HydrophobicContact CG1-CB 4.08Å; I504-F525 HydrophobicContact CG1-CD1 3.51Å; I504-F525 HydrophobicContact CG1-CD2 3.89Å; I504-F525 HydrophobicContact CG1-CE1 3.87Å; I504-F525 HydrophobicContact CG1-CE2 4.23Å; I504-F525 HydrophobicContact CG1-CG 3.53Å; I504-F525 HydrophobicContact CG1-CZ 4.24Å; I504-I527 HydrophobicContact CD1-CD1 4.42Å
505	G	90.5	Very high	82.6	Confident	6 Å²	6	58.9 Å²	58.9	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	164.3	-176.9	0	0	0	0	0	112.3	W464 F525	W464-G505 CarbonylContact O-C 3.51Å; W464-G505 VanDerWaalsContact O-C 3.28Å; W464-G505 WeakPolarHBondContact O-CA 2.98Å; G505-F525 WeakPolarHBondContact O-CZ 3.26Å
506	Y	90.2	Very high	80.7	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	171.9	-176.8	-94.7	0	0	0	109.7	P401 S463 W464 C508 N520 P521 Q523	P401-Y506 HydrophobicContact CB-CE1 4.28Å; P401-Y506 HydrophobicContact CG-CD1 4.39Å; P401-Y506 HydrophobicContact CG-CE1 3.77Å; P401-Y506 HydrophobicContact CG-CE2 4.23Å; S463-Y506 CarbonylContact C-O 3.51Å; S463-Y506 WeakPolarHBondContact CA-O 2.93Å; S463-Y506 WeakPolarHBondContact CB-O 3.17Å; W464-Y506 PolarHBondContact N-O 2.66Å; W464-Y506 VanDerWaalsContact NE1-CB 3.29Å; W464-Y506 PolarHBondContact O-N 3.35Å; Y506-C508 HydrophobicContact CE1-CB 3.92Å; Y506-N520 PolarHBondContact OH-OD1 2.93Å; Y506-N520 VanDerWaalsContact OH-OD1 3.05Å; Y506-P521 WeakPolarHBondContact CE2-O 3.38Å; Y506-Q523 HydrophobicContact CD2-CB 4.24Å; Y506-Q523 HydrophobicContact CD2-CG 3.83Å; Y506-Q523 HydrophobicContact CE2-CG 3.84Å
507	K	86.7	Confident	78.6	Confident	129 Å²	129	66 Å²	66	56%	0.561	36%	0.355	S	S	*	.			trans	-110.3	106.6	172.7	-70.2	-173.5	-179	-178.5	0	110.2	Q509 Q523	K507-Q509 HydrophobicContact CB-CG 4.49Å; K507-Q509 PolarHBondContact O-N 3.15Å; K507-Q523 VanDerWaalsContact N-OE1 3.08Å; K507-Q523 PolarHBondContact O-NE2 3.03Å
508	C	80.7	Confident	76.6	Confident	22 Å²	22	74.4 Å²	74.4	15%	0.149	39%	0.394	C	S	.	.			trans	-65.9	119.8	171.1	-159.4	0	0	0	0	109.2	K462 S463 Y506 C513	K462-C508 HydrophobicContact CB-CB 3.98Å; K462-C508 WeakPolarHBondContact O-CB 3.28Å; S463-C508 PolarHBondContact OG-N 3.38Å; Y506-C508 HydrophobicContact CE1-CB 3.92Å; C508-C513 WeakPolarHBondContact CA-SG 2.82Å; C508-C513 HydrophobicContact CB-CB 4.05Å; C508-C513 WeakPolarHBondContact CB-SG 3.38Å; C508-C513 PolarHBondContact O-SG 3.3Å; C508-C513 WeakPolarHBondContact SG-CA 3.36Å; C508-C513 WeakPolarHBondContact SG-CB 3.35Å; C508-C513 CovalentContact SG-SG 2.02Å; C508-C513 PolarHBondContact SG-SG 3.26Å
509	Q	72.9	Confident	74.8	Confident	155 Å²	155	75.8 Å²	75.8	72%	0.724	41%	0.409	S	S	*	.			trans	-128	142.9	174.5	-64.9	-177.8	-13.9	0	0	111.2	K507 C513	K507-Q509 HydrophobicContact CB-CG 4.49Å; K507-Q509 PolarHBondContact O-N 3.15Å; Q509-C513 VanDerWaalsContact C-SG 3.54Å; Q509-C513 PolarHBondContact N-SG 3.21Å
510	G	67.1	Low	73.1	Confident	58 Å²	58	77.5 Å²	77.5	60%	0.598	42%	0.418	S	S	*	.	S	Bend	trans	84.8	-169.6	172.7	0	0	0	0	0	115.6	A512 C513	G510-A512 PolarHBondContact O-N 3.23Å; G510-C513 WeakPolarHBondContact O-CB 3.15Å; G510-C513 PolarHBondContact O-N 3.36Å
511	Y	63.5	Low	72.1	Confident	199 Å²	199	75.7 Å²	75.7	78%	0.78	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-55.7	-31.3	-176.4	-98.6	-87.3	0	0	0	113.7	C513 I514	Y511-C513 PolarHBondContact O-N 3.16Å; Y511-I514 HydrophobicContact CD1-CD1 3.92Å; Y511-I514 HydrophobicContact CE1-CD1 4.21Å; Y511-I514 HydrophobicContact CG-CD1 4.33Å; Y511-I514 WeakPolarHBondContact O-CB 3.12Å; Y511-I514 PolarHBondContact O-N 3.33Å
512	A	58	Low	71.7	Confident	40 Å²	40	77.9 Å²	77.9	33%	0.331	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-61.6	-12.4	176.4	0	0	0	0	0	114	G510	G510-A512 PolarHBondContact O-N 3.23Å
513	C	63.7	Low	71.5	Confident	24 Å²	24	79.3 Å²	79.3	16%	0.162	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-92.3	-11.4	175.2	-55.3	0	0	0	0	113.9	K462 C508 Q509 G510 Y511	K462-C513 HydrophobicContact CD-CB 4.47Å; K462-C513 WeakPolarHBondContact CD-O 3.41Å; K462-C513 VanDerWaalsContact CE-O 3.32Å; K462-C513 WeakPolarHBondContact CE-O 3.15Å; K462-C513 PolarHBondContact NZ-O 3.31Å; C508-C513 WeakPolarHBondContact CA-SG 2.82Å; C508-C513 HydrophobicContact CB-CB 4.05Å; C508-C513 WeakPolarHBondContact CB-SG 3.38Å; C508-C513 PolarHBondContact O-SG 3.3Å; C508-C513 WeakPolarHBondContact SG-CA 3.36Å; C508-C513 WeakPolarHBondContact SG-CB 3.35Å; C508-C513 CovalentContact SG-SG 2.02Å; C508-C513 PolarHBondContact SG-SG 3.26Å; Q509-C513 VanDerWaalsContact C-SG 3.54Å; Q509-C513 PolarHBondContact N-SG 3.21Å; G510-C513 WeakPolarHBondContact O-CB 3.15Å; G510-C513 PolarHBondContact O-N 3.36Å; Y511-C513 PolarHBondContact O-N 3.16Å
514	I	60.1	Low	71.4	Confident	116 Å²	116	81.1 Å²	81.1	60%	0.595	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-47.4	-178.1	-58.2	176.3	0	0	0	108.4	Y511	Y511-I514 HydrophobicContact CD1-CD1 3.92Å; Y511-I514 HydrophobicContact CE1-CD1 4.21Å; Y511-I514 HydrophobicContact CG-CD1 4.33Å; Y511-I514 WeakPolarHBondContact O-CB 3.12Å; Y511-I514 PolarHBondContact O-N 3.33Å
515	D	56.8	Low	71.3	Confident	99 Å²	99	83.4 Å²	83.4	53%	0.529	44%	0.441	S	S	.	.	S	Bend	trans	-91.1	130.3	178.9	-67	-33.2	0	0	0	111.7	S517	D515-S517 PolarHBondContact O-N 2.94Å
516	D	56.5	Low	71.3	Confident	136 Å²	136	88 Å²	88	73%	0.727	46%	0.464	S	S	*	.			trans	-68.1	13.5	165.9	-80.6	-6	0	0	0	112.6	K462	K462-D516 IonicContact NZ-OD1 2.82Å; K462-D516 PolarHBondContact NZ-OD1 3.17Å; K462-D516 VanDerWaalsContact NZ-OD1 3.12Å
517	S	53.1	Low	71.3	Confident	60 Å²	60	87.9 Å²	87.9	42%	0.42	46%	0.463	S	S	.	.			trans	-58.2	136.4	173.3	71.8	0	0	0	0	110.4	D515 S519	D515-S517 PolarHBondContact O-N 2.94Å; S517-S519 PolarHBondContact O-N 3.13Å
518	Q	53.2	Low	71.6	Confident	184 Å²	184	83.4 Å²	83.4	86%	0.86	45%	0.447	S	S	*	.	S	Bend	trans	-63.4	-0.6	-163.3	-66.9	-169.8	-11.6	0	0	116.3	N520	Q518-N520 VanDerWaalsContact C-N 3.33Å; Q518-N520 PolarHBondContact O-N 3.01Å
519	S	56.6	Low	72.1	Confident	86 Å²	86	82.4 Å²	82.4	60%	0.601	44%	0.44	S	S	*	.			trans	-89.2	61.4	178.6	64.5	0	0	0	0	112	S517 P521	S517-S519 PolarHBondContact O-N 3.13Å; S519-P521 VanDerWaalsContact O-CD 3.22Å; S519-P521 WeakPolarHBondContact O-CD 2.97Å
520	N	59.7	Low	73.1	Confident	40 Å²	40	77.4 Å²	77.4	21%	0.214	42%	0.418	C	S	.	.			trans	-85.1	106.1	164.5	-93.8	-50.7	0	0	0	108.6	P401 Y506 Q518	P401-N520 HydrophobicContact CG-CB 3.52Å; Y506-N520 PolarHBondContact OH-OD1 2.93Å; Y506-N520 VanDerWaalsContact OH-OD1 3.05Å; Q518-N520 VanDerWaalsContact C-N 3.33Å; Q518-N520 PolarHBondContact O-N 3.01Å
521	P	73.3	Confident	74.5	Confident	84 Å²	84	74.7 Å²	74.7	55%	0.545	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68	145.7	-175.9	28.6	-34.4	0	0	0	111.2	Y506 S519	Y506-P521 WeakPolarHBondContact CE2-O 3.38Å; S519-P521 VanDerWaalsContact O-CD 3.22Å; S519-P521 WeakPolarHBondContact O-CD 2.97Å
522	E	84.8	Confident	75.9	Confident	79 Å²	79	67.4 Å²	67.4	37%	0.369	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.9	138.4	169	58.7	177	-145.3	0	0	111.4	R398 K400 K524	R398-E522 WeakPolarHBondContact CD-OE1 3.34Å; R398-E522 VanDerWaalsContact CD-OE2 3.3Å; R398-E522 WeakPolarHBondContact CD-OE2 3.39Å; R398-E522 IonicContact NE-OE1 3.57Å; R398-E522 PolarHBondContact NE-OE1 2.91Å; R398-E522 IonicContact NE-OE2 3.84Å; K400-E522 HydrophobicContact CG-CB 4.41Å; E522-K524 WeakPolarHBondContact OE1-CE 3.25Å; E522-K524 IonicContact OE1-NZ 3.12Å
523	Q	87.9	Confident	77.6	Confident	49 Å²	49	66.5 Å²	66.5	23%	0.229	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.2	171.3	-68.6	-174.9	7.8	0	0	110.2	R398 L399 Y506 K507 F525	R398-Q523 CarbonylContact C-O 3.59Å; R398-Q523 WeakPolarHBondContact CA-O 3.28Å; L399-Q523 PolarHBondContact N-O 3.46Å; L399-Q523 PolarHBondContact O-N 3.06Å; Y506-Q523 HydrophobicContact CD2-CB 4.24Å; Y506-Q523 HydrophobicContact CD2-CG 3.83Å; Y506-Q523 HydrophobicContact CE2-CG 3.84Å; K507-Q523 VanDerWaalsContact N-OE1 3.08Å; K507-Q523 PolarHBondContact O-NE2 3.03Å; Q523-F525 HydrophobicContact CB-CE2 3.72Å; Q523-F525 HydrophobicContact CB-CZ 4.26Å
524	K	90.4	Very high	78.9	Confident	128 Å²	128	68.3 Å²	68.3	56%	0.557	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.4	-174.8	-67.3	175.3	-174.4	172.7	0	110.1	I396 L397 R398 E522	I396-K524 HydrophobicContact CG2-CB 3.87Å; I396-K524 HydrophobicContact CG2-CD 4.18Å; I396-K524 HydrophobicContact CG2-CG 3.87Å; L397-K524 CarbonylContact O-C 3.46Å; L397-K524 WeakPolarHBondContact O-CA 3.41Å; R398-K524 HydrophobicContact CG-CG 4.18Å; E522-K524 WeakPolarHBondContact OE1-CE 3.25Å; E522-K524 IonicContact OE1-NZ 3.12Å
525	F	91.1	Very high	80.3	Confident	54 Å²	54	66.2 Å²	66.2	24%	0.237	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.4	176.8	-64.4	-87.9	0	0	0	109.6	I396 L397 L399 I504 G505 Q523	I396-F525 WeakPolarHBondContact CA-O 3.38Å; L397-F525 HydrophobicContact CB-CB 4.41Å; L397-F525 PolarHBondContact N-O 2.77Å; L397-F525 PolarHBondContact O-N 2.91Å; L399-F525 HydrophobicContact CB-CD2 4.37Å; L399-F525 HydrophobicContact CB-CE2 4.1Å; L399-F525 HydrophobicContact CD1-CD2 3.8Å; L399-F525 HydrophobicContact CD1-CE2 3.69Å; L399-F525 HydrophobicContact CG-CD2 3.93Å; L399-F525 HydrophobicContact CG-CE2 4.05Å; I504-F525 HydrophobicContact CD1-CB 3.41Å; I504-F525 VanDerWaalsContact CD1-CB 3.41Å; I504-F525 HydrophobicContact CD1-CD1 3.86Å; I504-F525 HydrophobicContact CD1-CD2 3.91Å; I504-F525 HydrophobicContact CD1-CG 3.43Å; I504-F525 VanDerWaalsContact CD1-CG 3.43Å; I504-F525 HydrophobicContact CG1-CB 4.08Å; I504-F525 HydrophobicContact CG1-CD1 3.51Å; I504-F525 HydrophobicContact CG1-CD2 3.89Å; I504-F525 HydrophobicContact CG1-CE1 3.87Å; I504-F525 HydrophobicContact CG1-CE2 4.23Å; I504-F525 HydrophobicContact CG1-CG 3.53Å; I504-F525 HydrophobicContact CG1-CZ 4.24Å; G505-F525 WeakPolarHBondContact O-CZ 3.26Å; Q523-F525 HydrophobicContact CB-CE2 3.72Å; Q523-F525 HydrophobicContact CB-CZ 4.26Å
526	L	91.2	Very high	81.7	Confident	103 Å²	103	63.7 Å²	63.7	54%	0.539	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.3	177	-64.2	176.2	0	0	0	109.4	C395 I396 T528	C395-L526 WeakPolarHBondContact O-CA 3.45Å; I396-L526 HydrophobicContact CG1-CD2 3.94Å; L526-T528 HydrophobicContact CB-CG2 4.15Å
527	I	90.8	Very high	82.6	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.1	167.1	-55.1	-55.6	0	0	0	107.2	S394 C395 L397 I417 L421 I471 I504	S394-I527 WeakPolarHBondContact CA-O 3.33Å; C395-I527 PolarHBondContact N-O 2.75Å; C395-I527 VanDerWaalsContact N-O 3.09Å; C395-I527 PolarHBondContact O-N 3.42Å; L397-I527 HydrophobicContact CB-CD1 4.42Å; L397-I527 HydrophobicContact CB-CG1 4Å; L397-I527 HydrophobicContact CD2-CD1 4.1Å; L397-I527 HydrophobicContact CD2-CG1 4.41Å; I417-I527 HydrophobicContact CD1-CD1 4.05Å; I417-I527 HydrophobicContact CG1-CD1 4.21Å; I417-I527 HydrophobicContact CG2-CD1 4.18Å; I417-I527 HydrophobicContact CG2-CG1 4.38Å; I417-I527 HydrophobicContact CG2-CG2 3.85Å; L421-I527 HydrophobicContact CD1-CG2 3.74Å; L421-I527 HydrophobicContact CD2-CG2 3.89Å; L421-I527 HydrophobicContact CG-CG2 3.95Å; I471-I527 WeakPolarHBondContact O-CA 3.11Å; I504-I527 HydrophobicContact CD1-CD1 4.42Å
528	T	91.8	Very high	83	Confident	35 Å²	35	65.2 Å²	65.2	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.8	-166.1	61.5	0	0	0	0	112.9	F392 S393 I471 G472 Q473 L526	F392-T528 HydrophobicContact CE2-CG2 4.08Å; F392-T528 HydrophobicContact CZ-CG2 3.76Å; S393-T528 CarbonylContact O-C 3.53Å; S393-T528 WeakPolarHBondContact O-CA 3.31Å; I471-T528 PolarHBondContact O-N 3.39Å; G472-T528 CarbonylContact C-O 3.55Å; G472-T528 WeakPolarHBondContact CA-O 3.42Å; Q473-T528 PolarHBondContact N-O 2.98Å; L526-T528 HydrophobicContact CB-CG2 4.15Å
529	T	92.1	Very high	82.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.5	168.4	-64	0	0	0	0	108.7	I369 F392 S393 L421 Q473 I475 V531	I369-T529 HydrophobicContact CB-CG2 4.13Å; I369-T529 HydrophobicContact CD1-CG2 4.42Å; I369-T529 HydrophobicContact CG2-CG2 3.91Å; F392-T529 CarbonylContact C-O 3.5Å; S393-T529 PolarHBondContact N-O 2.9Å; S393-T529 PolarHBondContact O-N 2.73Å; L421-T529 WeakPolarHBondContact CD2-OG1 3.26Å; Q473-T529 HydrophobicContact CG-CG2 3.82Å; Q473-T529 WeakPolarHBondContact CG-OG1 3.4Å; Q473-T529 PolarHBondContact NE2-OG1 2.85Å; Q473-T529 WeakPolarHBondContact O-CA 3.33Å; I475-T529 HydrophobicContact CD1-CG2 4.16Å; T529-V531 HydrophobicContact CG2-CG2 4.1Å
530	N	94	Very high	84	Confident	51 Å²	51	64.8 Å²	64.8	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.2	172.6	-169	29.9	0	0	0	109.6	Q473 T474 I475	Q473-N530 PolarHBondContact O-N 3.07Å; T474-N530 CarbonylContact C-O 3.6Å; T474-N530 VanDerWaalsContact CA-O 3.24Å; T474-N530 WeakPolarHBondContact CA-O 3.42Å; T474-N530 HydrophobicContact CG2-CB 4.44Å; I475-N530 PolarHBondContact N-O 3.39Å
531	V	95.2	Very high	85.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.2	178.5	-173	0	0	0	0	108.8	I369 I385 N390 T391 I475 I477 T529 F533	I369-V531 HydrophobicContact CD1-CG2 4.22Å; I385-V531 HydrophobicContact CD1-CG1 4.1Å; I385-V531 HydrophobicContact CD1-CG2 3.87Å; I385-V531 HydrophobicContact CG1-CG1 4.48Å; I385-V531 HydrophobicContact CG1-CG2 4.09Å; I385-V531 HydrophobicContact CG2-CG1 3.73Å; N390-V531 CarbonylContact C-O 3.54Å; N390-V531 VanDerWaalsContact CA-O 3.28Å; N390-V531 WeakPolarHBondContact CA-O 3.46Å; T391-V531 PolarHBondContact N-O 2.69Å; T391-V531 PolarHBondContact O-N 2.93Å; I475-V531 HydrophobicContact CB-CG1 4.42Å; I475-V531 HydrophobicContact CB-CG2 4.34Å; I475-V531 HydrophobicContact CD1-CG2 4.36Å; I475-V531 WeakPolarHBondContact O-CA 3.45Å; I477-V531 HydrophobicContact CD1-CG1 4.05Å; T529-V531 HydrophobicContact CG2-CG2 4.1Å; V531-F533 HydrophobicContact CG1-CE2 4.08Å
532	L	92.6	Very high	86	Confident	47 Å²	47	65.1 Å²	65.1	25%	0.246	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.6	-175.8	-60.3	176.4	0	0	0	109.9	N390 T474 I475 N476 I477	N390-L532 HydrophobicContact CB-CD2 4.45Å; T474-L532 HydrophobicContact CG2-CD1 4.17Å; I475-L532 PolarHBondContact O-N 3.15Å; N476-L532 CarbonylContact C-O 3.55Å; N476-L532 WeakPolarHBondContact CA-O 3.33Å; I477-L532 PolarHBondContact N-O 3.28Å
533	F	94	Very high	86	Confident	20 Å²	20	64.3 Å²	64.3	9%	0.088	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.8	172.7	-76.9	-95.2	0	0	0	110	I328 I385 L386 F387 G388 Q389 N390 I477 Y479 V531	I328-F533 HydrophobicContact CD1-CE1 3.86Å; I328-F533 HydrophobicContact CD1-CZ 3.87Å; I328-F533 HydrophobicContact CG1-CZ 4.07Å; I385-F533 HydrophobicContact CG2-CE2 4.01Å; I385-F533 HydrophobicContact CG2-CZ 3.93Å; L386-F533 WeakPolarHBondContact O-CE2 3.44Å; L386-F533 WeakPolarHBondContact O-CZ 3.4Å; F387-F533 AromaticContact CD2-CE1 3.84Å; F387-F533 HydrophobicContact CD2-CE1 3.84Å; F387-F533 HydrophobicContact CE2-CE1 4.27Å; F387-F533 HydrophobicContact CG-CE1 4.36Å; G388-F533 VanDerWaalsContact N-CE1 3.33Å; Q389-F533 WeakPolarHBondContact O-CD2 3.33Å; Q389-F533 VanDerWaalsContact O-CE2 3.3Å; Q389-F533 WeakPolarHBondContact O-CE2 3.38Å; N390-F533 PolarHBondContact OD1-N 2.63Å; I477-F533 HydrophobicContact CB-CD1 3.9Å; I477-F533 HydrophobicContact CB-CE1 3.88Å; I477-F533 HydrophobicContact CB-CG 4.43Å; I477-F533 HydrophobicContact CB-CZ 4.4Å; I477-F533 HydrophobicContact CD1-CE1 3.76Å; I477-F533 HydrophobicContact CD1-CE2 4.01Å; I477-F533 HydrophobicContact CD1-CZ 3.46Å; I477-F533 VanDerWaalsContact CD1-CZ 3.46Å; I477-F533 HydrophobicContact CG1-CE1 4.43Å; I477-F533 HydrophobicContact CG2-CD1 3.83Å; I477-F533 HydrophobicContact CG2-CE1 3.63Å; I477-F533 HydrophobicContact CG2-CZ 4.46Å; I477-F533 CarbonylContact O-C 3.47Å; I477-F533 WeakPolarHBondContact O-CA 3.26Å; Y479-F533 HydrophobicContact CD1-CB 4.33Å; Y479-F533 HydrophobicContact CD1-CD1 4.04Å; Y479-F533 HydrophobicContact CE1-CB 4.07Å; Y479-F533 HydrophobicContact CE1-CD1 4.36Å; V531-F533 HydrophobicContact CG1-CE2 4.08Å
534	H	91.1	Very high	85.9	Confident	63 Å²	63	65.3 Å²	65.3	29%	0.292	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.9	179.7	-57.1	-82.8	0	0	0	108.9	N476 I477 Y478 Y479	N476-H534 PolarHBondContact OD1-NE2 3.38Å; I477-H534 PolarHBondContact O-N 3.25Å; Y478-H534 WeakPolarHBondContact CA-O 3.39Å; Y478-H534 HydrophobicContact CD1-CB 3.52Å; Y478-H534 AromaticContact CD1-CD2 3.98Å; Y478-H534 AromaticContact CD1-CG 3.92Å; Y478-H534 HydrophobicContact CE1-CB 3.85Å; Y478-H534 AromaticContact CE1-CD2 3.66Å; Y478-H534 AromaticContact CE1-CG 3.74Å; Y478-H534 HydrophobicContact CG-CB 4.33Å; Y478-H534 AromaticContact CZ-CD2 3.94Å; Y479-H534 WeakPolarHBondContact CD1-O 3.29Å; Y479-H534 PolarHBondContact N-O 2.92Å
535	D	90	Very high	85.6	Confident	72 Å²	72	61.1 Å²	61.1	39%	0.385	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.3	177.8	-161	-30.2	0	0	0	110.1	Y479 T537	Y479-D535 HydrophobicContact CE1-CB 3.92Å; Y479-D535 HydrophobicContact CE2-CB 4.12Å; Y479-D535 WeakPolarHBondContact CE2-OD2 3.26Å; Y479-D535 VanDerWaalsContact CZ-CG 3.48Å; Y479-D535 VanDerWaalsContact CZ-OD2 3.31Å; Y479-D535 WeakPolarHBondContact OH-CB 3.29Å; Y479-D535 VanDerWaalsContact OH-CG 3.27Å; Y479-D535 PolarHBondContact OH-OD2 3.26Å; D535-T537 WeakPolarHBondContact OD1-CB 3.43Å; D535-T537 PolarHBondContact OD1-N 3.17Å; D535-T537 PolarHBondContact OD1-OG1 3.11Å
536	L	86	Confident	85.2	Confident	45 Å²	45	61.6 Å²	61.6	24%	0.236	33%	0.325	C	S	.	.			trans	-102.7	10.2	179.1	-54.2	-176.8	0	0	0	112.6	Y478 Y479 A480 I493 L538 L539	Y478-L536 HydrophobicContact CD1-CD1 4.36Å; Y478-L536 HydrophobicContact CD1-CD2 4.19Å; Y478-L536 HydrophobicContact CD1-CG 4.5Å; Y479-L536 PolarHBondContact O-N 3.44Å; A480-L536 HydrophobicContact CB-CB 4.27Å; I493-L536 HydrophobicContact CB-CD1 4.48Å; L536-L538 PolarHBondContact O-N 3.26Å; L536-L539 HydrophobicContact CB-CD1 4.48Å; L536-L539 HydrophobicContact CD2-CD1 3.53Å; L536-L539 PolarHBondContact O-N 3.38Å
537	T	75.1	Confident	84.8	Confident	51 Å²	51	58.4 Å²	58.4	31%	0.313	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.3	-175.5	-52.9	0	0	0	0	113.7	R481 D535	R481-T537 HydrophobicContact CB-CG2 3.76Å; R481-T537 HydrophobicContact CG-CG2 4.03Å; R481-T537 PolarHBondContact N-OG1 3.46Å; D535-T537 WeakPolarHBondContact OD1-CB 3.43Å; D535-T537 PolarHBondContact OD1-N 3.17Å; D535-T537 PolarHBondContact OD1-OG1 3.11Å
538	L	61.7	Low	84.2	Confident	177 Å²	177	63.2 Å²	63.2	93%	0.927	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	10.6	-178.6	-64.5	171.7	0	0	0	113.7	L536	L536-L538 PolarHBondContact O-N 3.26Å
539	L	47.3	Very low	83.6	Confident	197 Å²	197	65.7 Å²	65.7	100%	1.031	35%	0.345	S	S	*	.			trans	-104.7	0	170.4	-73.2	163.9	0	0	0	109.2	L536	L536-L539 HydrophobicContact CB-CD1 4.48Å; L536-L539 HydrophobicContact CD2-CD1 3.53Å; L536-L539 PolarHBondContact O-N 3.38Å

Retrieved 539 of 539 residues in 204.4 ms (Link to these results)

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