A0A087YEQ2_POEFO Loading...

Diacylglycerol kinase

Membrane-bound diacylglycerol kinase that converts diacylglycerol/DAG into phosphatidic acid/phosphatidate/PA and regulates the respective levels of these two bioactive lipids. Thereby, acts as a central switch between the signaling pathways activated by these second messengers with different cellular targets and opposite effects in numerous biological processes. Also plays an important role in the biosynthesis of complex lipids. Displays specificity for diacylglycerol substrates with an arachidonoyl acyl chain at the sn-2 position, with the highest activity toward 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol the main diacylglycerol intermediate within the phosphatidylinositol turnover cycle. Can also phosphorylate diacylglycerol substrates with a linoleoyl acyl chain at the sn-2 position but much less efficiently.

AlphaFold DB , UniProt , Accession A0A087YEQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 576 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	44.2	Very low	235 Å²	235	155.5 Å²	155.5	100%	1.158	85%	0.852	S	S	*	*				0	141.3	0	-88.2	172.1	61.8	0	0	108.3
2	C	36.8	Very low	44.8	Very low	123 Å²	123	149.8 Å²	149.8	83%	0.831	83%	0.83	S	S	*	*			trans	92.7	80	175.2	-53	0	0	0	0	117.4
3	Q	40.2	Very low	45.5	Very low	173 Å²	173	141.5 Å²	141.5	81%	0.808	80%	0.799	S	S	*	*				-50	146.1	118	-89.2	168.9	-38.9	0	0	108.3
4	E	44.6	Very low	46.4	Very low	177 Å²	177	134.4 Å²	134.4	83%	0.827	76%	0.763	S	S	*	*				-178.1	149.4	51.5	-131.2	160.2	-154.3	0	0	106.8
5	G	36.2	Very low	47.4	Very low	83 Å²	83	137.5 Å²	137.5	86%	0.856	76%	0.758	S	S	*	*			trans	176.2	53.4	177.2	0	0	0	0	0	110.4
6	G	43.1	Very low	48.7	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	75%	0.752	S	S	*	*			trans	-81.4	164.3	178.2	0	0	0	0	0	113.5
7	E	49.4	Very low	50.1	Low	200 Å²	200	137.6 Å²	137.6	94%	0.935	75%	0.745	S	S	*	*			trans	69.9	83.4	149.2	-61.2	-179.7	155.9	0	0	117.9
8	A	48.5	Very low	51.5	Low	99 Å²	99	140.4 Å²	140.4	82%	0.818	74%	0.743	S	S	*	*	S	Bend	trans	-162.5	-2.2	151.7	0	0	0	0	0	116.2
9	R	46	Very low	53.1	Low	243 Å²	243	136.5 Å²	136.5	92%	0.917	73%	0.726	S	S	*	*	S	Bend	trans	-113.9	-7.3	-164.8	-110.6	177.5	175	163	-1.8	117.6
10	E	48.5	Very low	54.5	Low	187 Å²	187	135.9 Å²	135.9	87%	0.874	72%	0.722	S	S	*	*	S	Bend	trans	-90.8	-14.9	179.7	-75.2	-177.6	148.7	0	0	114.2
11	D	51.4	Low	55.9	Low	124 Å²	124	134.1 Å²	134.1	66%	0.663	71%	0.712	S	S	*	*	H	α-helix	trans	-85.5	-15	-174.2	-158.5	38.7	0	0	0	114.1	S14	D11-S14 PolarHBondContact O-OG 3.09Å
12	C	50.8	Low	58.1	Low	86 Å²	86	128.8 Å²	128.8	58%	0.581	68%	0.682	S	S	*	*	H	α-helix	trans	-83.2	-39.9	-176.9	-159.3	0	0	0	0	112.7	R15 E16	C12-R15 PolarHBondContact O-N 2.74Å; C12-E16 PolarHBondContact O-N 3.15Å
13	G	54.7	Low	60.6	Low	42 Å²	42	130.4 Å²	130.4	43%	0.433	67%	0.671	S	S	.	*	H	α-helix	trans	-72.1	-36.1	-177.4	0	0	0	0	0	113.6	R15 E17	G13-R15 VanDerWaalsContact C-N 3.33Å; G13-R15 PolarHBondContact O-N 2.93Å; G13-E17 PolarHBondContact O-N 2.86Å
14	S	57.6	Low	62.7	Low	42 Å²	42	125.6 Å²	125.6	29%	0.294	65%	0.654	S	S	.	*	H	α-helix	trans	-63.6	-42.2	175.1	69.3	0	0	0	0	110.7	D11 E16 E17 W18	D11-S14 PolarHBondContact O-OG 3.09Å; S14-E16 VanDerWaalsContact C-N 3.35Å; S14-E16 PolarHBondContact O-N 2.61Å; S14-E17 PolarHBondContact O-N 3.13Å; S14-W18 WeakPolarHBondContact O-CB 3.34Å; S14-W18 PolarHBondContact O-N 2.75Å
15	R	61.3	Low	64.7	Low	182 Å²	182	119.8 Å²	119.8	69%	0.687	63%	0.633	S	S	*	*	H	α-helix	trans	-64.9	-37	-175.9	-146.9	170.8	88.8	174	6.1	112.5	C12 G13 T19	C12-R15 PolarHBondContact O-N 2.74Å; G13-R15 VanDerWaalsContact C-N 3.33Å; G13-R15 PolarHBondContact O-N 2.93Å; R15-T19 WeakPolarHBondContact O-CB 3.47Å; R15-T19 PolarHBondContact O-N 2.94Å; R15-T19 PolarHBondContact O-OG1 2.91Å
16	E	68.2	Low	67.3	Low	141 Å²	141	119 Å²	119	66%	0.659	61%	0.609	S	S	*	*	H	α-helix	trans	-69.7	-42	176.1	-71.9	-174.9	165.2	0	0	112.4	C12 S14 T19 L20	C12-E16 PolarHBondContact O-N 3.15Å; S14-E16 VanDerWaalsContact C-N 3.35Å; S14-E16 PolarHBondContact O-N 2.61Å; E16-T19 PolarHBondContact O-N 3.04Å; E16-L20 PolarHBondContact O-N 2.89Å
17	E	72.6	Confident	69.4	Low	135 Å²	135	119.1 Å²	119.1	63%	0.631	60%	0.603	S	S	*	*	H	α-helix	trans	-64.2	-43.3	174.8	-74.6	-174.4	158.8	0	0	112.3	G13 S14 T19 L20 L21	G13-E17 PolarHBondContact O-N 2.86Å; S14-E17 PolarHBondContact O-N 3.13Å; E17-T19 VanDerWaalsContact C-N 3.27Å; E17-T19 PolarHBondContact O-N 2.92Å; E17-L20 PolarHBondContact O-N 3.35Å; E17-L21 WeakPolarHBondContact O-CB 3.47Å; E17-L21 WeakPolarHBondContact O-CG 3.44Å; E17-L21 PolarHBondContact O-N 2.86Å
18	W	75.4	Confident	71.4	Confident	188 Å²	188	114.2 Å²	114.2	71%	0.712	59%	0.586	S	S	*	*	H	α-helix	trans	-62	-36.4	174.2	-76.3	115	0	0	0	112.1	S14 F22	S14-W18 WeakPolarHBondContact O-CB 3.34Å; S14-W18 PolarHBondContact O-N 2.75Å; W18-F22 WeakPolarHBondContact O-CB 3.19Å; W18-F22 PolarHBondContact O-N 3.29Å
19	T	81.2	Confident	73.4	Confident	67 Å²	67	113.8 Å²	113.8	41%	0.411	57%	0.57	S	S	.	*	H	α-helix	trans	-69.6	-42.6	177.6	-53.5	0	0	0	0	110.9	R15 E16 E17 F22 W23	R15-T19 WeakPolarHBondContact O-CB 3.47Å; R15-T19 PolarHBondContact O-N 2.94Å; R15-T19 PolarHBondContact O-OG1 2.91Å; E16-T19 PolarHBondContact O-N 3.04Å; E17-T19 VanDerWaalsContact C-N 3.27Å; E17-T19 PolarHBondContact O-N 2.92Å; T19-F22 PolarHBondContact O-N 3.17Å; T19-W23 PolarHBondContact O-N 3.11Å
20	L	82.1	Confident	75.6	Confident	124 Å²	124	105.1 Å²	105.1	65%	0.649	54%	0.543	S	S	*	.	H	α-helix	trans	-64.6	-45.2	176.1	-167.1	80.4	0	0	0	111.7	E16 E17 F22 W23 T24	E16-L20 PolarHBondContact O-N 2.89Å; E17-L20 PolarHBondContact O-N 3.35Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.45Å; L20-W23 PolarHBondContact O-N 2.97Å; L20-T24 WeakPolarHBondContact O-CB 3.45Å; L20-T24 VanDerWaalsContact O-CG2 3.27Å; L20-T24 WeakPolarHBondContact O-CG2 3.41Å; L20-T24 PolarHBondContact O-N 3.12Å; L20-T24 PolarHBondContact O-OG1 3.1Å
21	L	83.6	Confident	77.7	Confident	99 Å²	99	99.3 Å²	99.3	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-38	175.7	-77.2	167.8	0	0	0	112.1	E17 T24 S25	E17-L21 WeakPolarHBondContact O-CB 3.47Å; E17-L21 WeakPolarHBondContact O-CG 3.44Å; E17-L21 PolarHBondContact O-N 2.86Å; L21-T24 WeakPolarHBondContact CA-OG1 3.02Å; L21-T24 PolarHBondContact O-OG1 3.35Å; L21-T24 VanDerWaalsContact O-OG1 3.11Å; L21-S25 WeakPolarHBondContact O-CB 3.35Å; L21-S25 PolarHBondContact O-N 2.8Å; L21-S25 PolarHBondContact O-OG 3.09Å
22	F	87.4	Confident	79.6	Confident	122 Å²	122	96.9 Å²	96.9	54%	0.535	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-50.7	176	178.1	-98.2	0	0	0	112	W18 T19 L20 S25 L26	W18-F22 WeakPolarHBondContact O-CB 3.19Å; W18-F22 PolarHBondContact O-N 3.29Å; T19-F22 PolarHBondContact O-N 3.17Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.45Å; F22-S25 PolarHBondContact O-N 2.67Å; F22-L26 WeakPolarHBondContact O-CB 3.39Å; F22-L26 PolarHBondContact O-N 2.73Å
23	W	88.9	Confident	81.5	Confident	157 Å²	157	97.5 Å²	97.5	60%	0.595	51%	0.508	S	S	*	.	H	α-helix	trans	-68.9	-37	-179.2	-70.9	115.9	0	0	0	113.1	T19 L20 L26 A27	T19-W23 PolarHBondContact O-N 3.11Å; L20-W23 PolarHBondContact O-N 2.97Å; W23-L26 HydrophobicContact CE3-CD2 3.81Å; W23-L26 HydrophobicContact CZ3-CD2 3.68Å; W23-L26 PolarHBondContact O-N 2.76Å; W23-A27 WeakPolarHBondContact O-CB 3.28Å; W23-A27 PolarHBondContact O-N 2.97Å
24	T	85.5	Confident	83.2	Confident	72 Å²	72	100.3 Å²	100.3	44%	0.442	51%	0.512	S	S	.	.	H	α-helix	trans	-67.7	-42	174.8	51.3	0	0	0	0	111.7	L20 L21 L26 A27 V28	L20-T24 WeakPolarHBondContact O-CB 3.45Å; L20-T24 VanDerWaalsContact O-CG2 3.27Å; L20-T24 WeakPolarHBondContact O-CG2 3.41Å; L20-T24 PolarHBondContact O-N 3.12Å; L20-T24 PolarHBondContact O-OG1 3.1Å; L21-T24 WeakPolarHBondContact CA-OG1 3.02Å; L21-T24 PolarHBondContact O-OG1 3.35Å; L21-T24 VanDerWaalsContact O-OG1 3.11Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 3.48Å; T24-A27 PolarHBondContact O-N 2.72Å; T24-V28 PolarHBondContact O-N 3.04Å
25	S	86.2	Confident	84.5	Confident	55 Å²	55	102.5 Å²	102.5	39%	0.385	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-42.6	172.9	-61.5	0	0	0	0	111.3	L21 F22 A27 V28 I29	L21-S25 WeakPolarHBondContact O-CB 3.35Å; L21-S25 PolarHBondContact O-N 2.8Å; L21-S25 PolarHBondContact O-OG 3.09Å; F22-S25 PolarHBondContact O-N 2.67Å; S25-A27 PolarHBondContact O-N 2.99Å; S25-V28 PolarHBondContact O-N 3.39Å; S25-I29 WeakPolarHBondContact O-CB 3.3Å; S25-I29 WeakPolarHBondContact O-CG1 3.43Å; S25-I29 PolarHBondContact O-N 3.46Å
26	L	90.5	Very high	85.8	Confident	67 Å²	67	99.1 Å²	99.1	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-41.2	177.4	-165.2	74.5	0	0	0	111.8	F22 W23 T24 V28 V30	F22-L26 WeakPolarHBondContact O-CB 3.39Å; F22-L26 PolarHBondContact O-N 2.73Å; W23-L26 HydrophobicContact CE3-CD2 3.81Å; W23-L26 HydrophobicContact CZ3-CD2 3.68Å; W23-L26 PolarHBondContact O-N 2.76Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 3.48Å; L26-V28 PolarHBondContact O-N 2.95Å; L26-V30 HydrophobicContact CD1-CG2 3.48Å; L26-V30 VanDerWaalsContact CD1-CG2 3.48Å; L26-V30 HydrophobicContact CG-CG2 3.71Å; L26-V30 VanDerWaalsContact O-CB 3.26Å; L26-V30 WeakPolarHBondContact O-CB 3.4Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.42Å
27	A	88.1	Confident	86.7	Confident	70 Å²	70	100.4 Å²	100.4	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-64.2	-23.7	178.3	0	0	0	0	0	113.5	W23 T24 S25 P31	W23-A27 WeakPolarHBondContact O-CB 3.28Å; W23-A27 PolarHBondContact O-N 2.97Å; T24-A27 PolarHBondContact O-N 2.72Å; S25-A27 PolarHBondContact O-N 2.99Å; A27-P31 WeakPolarHBondContact O-CD 3.49Å; A27-P31 WeakPolarHBondContact O-CG 3.34Å
28	V	90.5	Very high	87.3	Confident	96 Å²	96	96.9 Å²	96.9	58%	0.582	51%	0.508	S	S	*	.	H	α-helix	trans	-94.8	-47.1	174.8	178.5	0	0	0	0	111.4	T24 S25 L26 P31 V32	T24-V28 PolarHBondContact O-N 3.04Å; S25-V28 PolarHBondContact O-N 3.39Å; L26-V28 PolarHBondContact O-N 2.95Å; V28-P31 WeakPolarHBondContact O-CD 3.27Å; V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 2.94Å
29	I	91.9	Very high	87.7	Confident	91 Å²	91	91.5 Å²	91.5	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-68.6	-40.7	-173.8	-67.3	169.3	0	0	0	111.1	S25 V32 I33	S25-I29 WeakPolarHBondContact O-CB 3.3Å; S25-I29 WeakPolarHBondContact O-CG1 3.43Å; S25-I29 PolarHBondContact O-N 3.46Å; I29-V32 PolarHBondContact O-N 3.05Å; I29-I33 HydrophobicContact CG2-CD1 3.46Å; I29-I33 VanDerWaalsContact CG2-CD1 3.46Å; I29-I33 HydrophobicContact CG2-CG1 4.03Å; I29-I33 WeakPolarHBondContact O-CB 3.49Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.27Å; I29-I33 PolarHBondContact O-N 3.24Å
30	V	92.1	Very high	87.6	Confident	60 Å²	60	90.7 Å²	90.7	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-49.1	-177.7	172.3	0	0	0	0	111.9	L26 V32 I33 L34	L26-V30 HydrophobicContact CD1-CG2 3.48Å; L26-V30 VanDerWaalsContact CD1-CG2 3.48Å; L26-V30 HydrophobicContact CG-CG2 3.71Å; L26-V30 VanDerWaalsContact O-CB 3.26Å; L26-V30 WeakPolarHBondContact O-CB 3.4Å; L26-V30 VanDerWaalsContact O-CG2 3.31Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.42Å; V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.04Å; V30-I33 PolarHBondContact O-N 3.13Å; V30-L34 HydrophobicContact CG1-CD1 3.83Å; V30-L34 HydrophobicContact CG1-CG 4.3Å; V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.1Å; V30-L34 PolarHBondContact O-N 2.97Å
31	P	91.3	Very high	87.5	Confident	65 Å²	65	88.8 Å²	88.8	42%	0.422	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-38.4	173.3	-26.9	36.9	0	0	0	113.5	A27 V28 L34 T35	A27-P31 WeakPolarHBondContact O-CD 3.49Å; A27-P31 WeakPolarHBondContact O-CG 3.34Å; V28-P31 WeakPolarHBondContact O-CD 3.27Å; P31-L34 PolarHBondContact O-N 3.24Å; P31-T35 WeakPolarHBondContact O-CB 3.31Å; P31-T35 VanDerWaalsContact O-CG2 3.26Å; P31-T35 WeakPolarHBondContact O-CG2 3.35Å; P31-T35 PolarHBondContact O-N 2.71Å; P31-T35 PolarHBondContact O-OG1 2.79Å
32	V	90.9	Very high	87.2	Confident	73 Å²	73	91 Å²	91	44%	0.442	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-44.6	176.6	172.4	0	0	0	0	111.1	V28 I29 V30 T35 L36	V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 2.94Å; I29-V32 PolarHBondContact O-N 3.05Å; V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.04Å; V32-T35 WeakPolarHBondContact CA-OG1 3.46Å; V32-T35 PolarHBondContact O-N 3.33Å; V32-T35 PolarHBondContact O-OG1 3.16Å; V32-L36 HydrophobicContact CG1-CD1 3.93Å; V32-L36 HydrophobicContact CG1-CG 4.43Å; V32-L36 WeakPolarHBondContact O-CB 3.34Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 2.86Å
33	I	91	Very high	86.5	Confident	100 Å²	100	88.4 Å²	88.4	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-42.5	175.9	-68.8	175.1	0	0	0	110.7	I29 V30 L36 W37	I29-I33 HydrophobicContact CG2-CD1 3.46Å; I29-I33 VanDerWaalsContact CG2-CD1 3.46Å; I29-I33 HydrophobicContact CG2-CG1 4.03Å; I29-I33 WeakPolarHBondContact O-CB 3.49Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.27Å; I29-I33 PolarHBondContact O-N 3.24Å; V30-I33 PolarHBondContact O-N 3.13Å; I33-L36 PolarHBondContact O-N 2.97Å; I33-W37 WeakPolarHBondContact O-CB 3.45Å; I33-W37 PolarHBondContact O-N 3.44Å
34	L	89.8	Confident	85.9	Confident	100 Å²	100	88.5 Å²	88.5	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-42.3	177.7	-75.1	172.1	0	0	0	112	V30 P31 W37 C38	V30-L34 HydrophobicContact CG1-CD1 3.83Å; V30-L34 HydrophobicContact CG1-CG 4.3Å; V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.1Å; V30-L34 PolarHBondContact O-N 2.97Å; P31-L34 PolarHBondContact O-N 3.24Å; L34-W37 PolarHBondContact O-N 3.18Å; L34-C38 VanDerWaalsContact O-CB 3.24Å; L34-C38 WeakPolarHBondContact O-CB 3.23Å; L34-C38 PolarHBondContact O-N 2.95Å; L34-C38 PolarHBondContact O-SG 3.29Å
35	T	86.3	Confident	85.4	Confident	88 Å²	88	90.2 Å²	90.2	54%	0.54	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-42.7	176.8	49.1	0	0	0	0	111.8	P31 V32 C38 S39	P31-T35 WeakPolarHBondContact O-CB 3.31Å; P31-T35 VanDerWaalsContact O-CG2 3.26Å; P31-T35 WeakPolarHBondContact O-CG2 3.35Å; P31-T35 PolarHBondContact O-N 2.71Å; P31-T35 PolarHBondContact O-OG1 2.79Å; V32-T35 WeakPolarHBondContact CA-OG1 3.46Å; V32-T35 PolarHBondContact O-N 3.33Å; V32-T35 PolarHBondContact O-OG1 3.16Å; T35-C38 PolarHBondContact O-N 3.16Å; T35-S39 WeakPolarHBondContact O-CB 3.39Å; T35-S39 PolarHBondContact O-N 2.79Å
36	L	87.6	Confident	84.7	Confident	112 Å²	112	94 Å²	94	59%	0.586	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-41.5	174.2	-70.9	174.2	0	0	0	111.7	V32 I33 S39 A40	V32-L36 HydrophobicContact CG1-CD1 3.93Å; V32-L36 HydrophobicContact CG1-CG 4.43Å; V32-L36 WeakPolarHBondContact O-CB 3.34Å; V32-L36 WeakPolarHBondContact O-CG 3.46Å; V32-L36 PolarHBondContact O-N 2.86Å; I33-L36 PolarHBondContact O-N 2.97Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.37Å; L36-A40 PolarHBondContact O-N 3.03Å
37	W	88.2	Confident	83.8	Confident	168 Å²	168	94.9 Å²	94.9	64%	0.636	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-50.2	175.3	-179.8	-79.6	0	0	0	111.2	I33 L34 S39 A40 Q41	I33-W37 WeakPolarHBondContact O-CB 3.45Å; I33-W37 PolarHBondContact O-N 3.44Å; L34-W37 PolarHBondContact O-N 3.18Å; W37-S39 VanDerWaalsContact C-N 3.31Å; W37-S39 PolarHBondContact O-N 2.79Å; W37-A40 PolarHBondContact O-N 2.84Å; W37-Q41 VanDerWaalsContact O-CB 3.3Å; W37-Q41 WeakPolarHBondContact O-CB 3.18Å; W37-Q41 PolarHBondContact O-N 2.84Å
38	C	84.3	Confident	83.2	Confident	61 Å²	61	98.1 Å²	98.1	41%	0.412	50%	0.504	S	S	.	.	H	α-helix	trans	-59.4	-42	175.8	-76.3	0	0	0	0	111.6	L34 T35 Q41 R42	L34-C38 VanDerWaalsContact O-CB 3.24Å; L34-C38 WeakPolarHBondContact O-CB 3.23Å; L34-C38 PolarHBondContact O-N 2.95Å; L34-C38 PolarHBondContact O-SG 3.29Å; T35-C38 PolarHBondContact O-N 3.16Å; C38-Q41 PolarHBondContact O-N 2.87Å; C38-R42 VanDerWaalsContact O-CB 3.31Å; C38-R42 WeakPolarHBondContact O-CB 3.4Å; C38-R42 VanDerWaalsContact O-CG 3.24Å; C38-R42 WeakPolarHBondContact O-CG 3.34Å; C38-R42 PolarHBondContact O-N 3.31Å
39	S	83.4	Confident	82.6	Confident	75 Å²	75	94.1 Å²	94.1	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-63	-46.9	175.9	-177.5	0	0	0	0	111.7	T35 L36 W37 Q41 R42 S43	T35-S39 WeakPolarHBondContact O-CB 3.39Å; T35-S39 PolarHBondContact O-N 2.79Å; L36-S39 PolarHBondContact O-N 3.35Å; W37-S39 VanDerWaalsContact C-N 3.31Å; W37-S39 PolarHBondContact O-N 2.79Å; S39-Q41 PolarHBondContact O-N 3.05Å; S39-R42 PolarHBondContact O-N 3.21Å; S39-S43 WeakPolarHBondContact O-CB 3.39Å; S39-S43 PolarHBondContact O-N 3.14Å
40	A	80.2	Confident	81.8	Confident	50 Å²	50	97.5 Å²	97.5	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-63.8	-40.6	177	0	0	0	0	0	111.9	L36 W37 S43 K44	L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.37Å; L36-A40 PolarHBondContact O-N 3.03Å; W37-A40 PolarHBondContact O-N 2.84Å; A40-S43 PolarHBondContact O-N 3.32Å; A40-K44 WeakPolarHBondContact O-CG 3.48Å; A40-K44 PolarHBondContact O-N 2.98Å
41	Q	79.3	Confident	81.1	Confident	84 Å²	84	100.4 Å²	100.4	39%	0.393	50%	0.5	S	S	.	.	H	α-helix	trans	-69.6	-40.4	178.2	-163.8	166.9	6.3	0	0	111.5	W37 C38 S39 K44 R45	W37-Q41 VanDerWaalsContact O-CB 3.3Å; W37-Q41 WeakPolarHBondContact O-CB 3.18Å; W37-Q41 PolarHBondContact O-N 2.84Å; C38-Q41 PolarHBondContact O-N 2.87Å; S39-Q41 PolarHBondContact O-N 3.05Å; Q41-K44 PolarHBondContact O-N 2.89Å; Q41-R45 WeakPolarHBondContact O-CB 3.34Å; Q41-R45 WeakPolarHBondContact O-CG 3.4Å; Q41-R45 PolarHBondContact O-N 3.2Å
42	R	76.8	Confident	80.6	Confident	145 Å²	145	99.3 Å²	99.3	55%	0.547	49%	0.489	S	S	.	.	H	α-helix	trans	-60.6	-44.4	170.7	-77.1	-179.6	-167.7	-165.2	6.2	111.5	C38 S39 R45 K46	C38-R42 VanDerWaalsContact O-CB 3.31Å; C38-R42 WeakPolarHBondContact O-CB 3.4Å; C38-R42 VanDerWaalsContact O-CG 3.24Å; C38-R42 WeakPolarHBondContact O-CG 3.34Å; C38-R42 PolarHBondContact O-N 3.31Å; S39-R42 PolarHBondContact O-N 3.21Å; R42-R45 PolarHBondContact O-N 3.35Å; R42-K46 WeakPolarHBondContact O-CB 3.41Å; R42-K46 WeakPolarHBondContact O-CG 3.3Å; R42-K46 PolarHBondContact O-N 3.05Å
43	S	74.1	Confident	80.3	Confident	68 Å²	68	97.7 Å²	97.7	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-60.8	-47.8	177.2	-179.1	0	0	0	0	111.7	S39 A40 R45 K46 T47	S39-S43 WeakPolarHBondContact O-CB 3.39Å; S39-S43 PolarHBondContact O-N 3.14Å; A40-S43 PolarHBondContact O-N 3.32Å; S43-R45 PolarHBondContact O-N 3.32Å; S43-K46 PolarHBondContact O-N 2.76Å; S43-T47 PolarHBondContact O-N 2.65Å; S43-T47 PolarHBondContact O-OG1 2.92Å; S43-T47 VanDerWaalsContact O-OG1 3.1Å
44	K	76.3	Confident	79.5	Confident	158 Å²	158	102.2 Å²	102.2	69%	0.687	49%	0.487	S	S	*	.	H	α-helix	trans	-59.2	-44.8	175	-75.1	-179.2	-179.6	-179.3	0	112.4	A40 Q41 T47 Y48	A40-K44 WeakPolarHBondContact O-CG 3.48Å; A40-K44 PolarHBondContact O-N 2.98Å; Q41-K44 PolarHBondContact O-N 2.89Å; K44-T47 PolarHBondContact O-N 2.87Å; K44-Y48 PolarHBondContact O-N 2.9Å; K44-Y48 VanDerWaalsContact O-N 3.09Å
45	R	73.8	Confident	79.1	Confident	109 Å²	109	106 Å²	106	41%	0.411	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-48.6	175.7	-75.9	-176.6	-174.2	-171	3.5	111.4	Q41 R42 S43 T47 Y48 M49 E94	Q41-R45 WeakPolarHBondContact O-CB 3.34Å; Q41-R45 WeakPolarHBondContact O-CG 3.4Å; Q41-R45 PolarHBondContact O-N 3.2Å; R42-R45 PolarHBondContact O-N 3.35Å; S43-R45 PolarHBondContact O-N 3.32Å; R45-T47 VanDerWaalsContact C-N 3.33Å; R45-T47 PolarHBondContact O-N 2.86Å; R45-Y48 PolarHBondContact O-N 2.8Å; R45-M49 WeakPolarHBondContact O-CB 3.47Å; R45-M49 VanDerWaalsContact O-CG 3.29Å; R45-M49 WeakPolarHBondContact O-CG 3.36Å; R45-M49 PolarHBondContact O-N 3Å; R45-E94 IonicContact NH1-OE2 3.49Å; R45-E94 PolarHBondContact NH1-OE2 3.08Å
46	K	71.6	Confident	79.1	Confident	135 Å²	135	102.7 Å²	102.7	59%	0.587	48%	0.479	S	S	*	.	H	α-helix	trans	-55.6	-45.5	177.8	-77.9	-176	178.1	-170.8	0	112.1	R42 S43 M49 K50	R42-K46 WeakPolarHBondContact O-CB 3.41Å; R42-K46 WeakPolarHBondContact O-CG 3.3Å; R42-K46 PolarHBondContact O-N 3.05Å; S43-K46 PolarHBondContact O-N 2.76Å; K46-M49 PolarHBondContact O-N 2.87Å; K46-K50 WeakPolarHBondContact O-CB 3.29Å; K46-K50 PolarHBondContact O-N 2.84Å
47	T	73.2	Confident	79.1	Confident	85 Å²	85	102.8 Å²	102.8	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-46.7	178.5	-55.2	0	0	0	0	112	S43 K44 R45 M49 K50 E51	S43-T47 PolarHBondContact O-N 2.65Å; S43-T47 PolarHBondContact O-OG1 2.92Å; S43-T47 VanDerWaalsContact O-OG1 3.1Å; K44-T47 PolarHBondContact O-N 2.87Å; R45-T47 VanDerWaalsContact C-N 3.33Å; R45-T47 PolarHBondContact O-N 2.86Å; T47-M49 PolarHBondContact O-N 2.88Å; T47-K50 PolarHBondContact O-N 2.87Å; T47-E51 PolarHBondContact O-N 3.24Å
48	Y	74.6	Confident	79.3	Confident	138 Å²	138	94.9 Å²	94.9	54%	0.541	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-44.4	177.8	176.1	-99.8	0	0	0	112.4	K44 R45 K50 E51 F52 R98	K44-Y48 PolarHBondContact O-N 2.9Å; K44-Y48 VanDerWaalsContact O-N 3.09Å; R45-Y48 PolarHBondContact O-N 2.8Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 3.41Å; Y48-E51 PolarHBondContact O-N 2.91Å; Y48-F52 PolarHBondContact O-N 3Å; Y48-R98 PolarHBondContact OH-NH2 2.84Å
49	M	77.7	Confident	79.5	Confident	11 Å²	11	93.4 Å²	93.4	5%	0.054	44%	0.44	C	S	.	.	H	α-helix	trans	-65.5	-38.7	178.4	-66.6	-166.3	97.2	0	0	111.7	R45 K46 T47 E51 F52 F53 Y62 L97	R45-M49 WeakPolarHBondContact O-CB 3.47Å; R45-M49 VanDerWaalsContact O-CG 3.29Å; R45-M49 WeakPolarHBondContact O-CG 3.36Å; R45-M49 PolarHBondContact O-N 3Å; K46-M49 PolarHBondContact O-N 2.87Å; T47-M49 PolarHBondContact O-N 2.88Å; M49-E51 VanDerWaalsContact C-N 3.31Å; M49-E51 PolarHBondContact O-N 2.81Å; M49-F52 PolarHBondContact O-N 2.84Å; M49-F52 VanDerWaalsContact O-N 3.15Å; M49-F53 HydrophobicContact CB-CD2 4.45Å; M49-F53 HydrophobicContact CB-CE2 3.98Å; M49-F53 HydrophobicContact CB-CZ 4.03Å; M49-F53 HydrophobicContact CE-CE1 4.27Å; M49-F53 HydrophobicContact CE-CZ 3.83Å; M49-F53 WeakPolarHBondContact O-CB 3.46Å; M49-F53 WeakPolarHBondContact O-CD1 3.37Å; M49-F53 WeakPolarHBondContact O-CD2 3.42Å; M49-F53 WeakPolarHBondContact O-CG 3.34Å; M49-F53 PolarHBondContact O-N 3.21Å; M49-F53 HydrophobicContact SD-CZ 4.45Å; M49-Y62 HydrophobicContact CE-CD2 3.54Å; M49-Y62 HydrophobicContact CE-CE2 4.02Å; M49-Y62 HydrophobicContact CE-CG 4.42Å; M49-Y62 HydrophobicContact SD-CD2 3.45Å; M49-Y62 WeakPolarHBondContact SD-CD2 3.16Å; M49-Y62 HydrophobicContact SD-CE2 3.9Å; M49-Y62 HydrophobicContact SD-CG 3.9Å; M49-L97 HydrophobicContact CE-CD2 3.29Å
50	K	76.1	Confident	79.9	Confident	162 Å²	162	90.1 Å²	90.1	70%	0.704	42%	0.416	S	S	*	.	H	α-helix	trans	-59.2	-39.9	177.5	-167.8	172.9	-174.6	171.9	0	112.6	K46 T47 Y48 R54	K46-K50 WeakPolarHBondContact O-CB 3.29Å; K46-K50 PolarHBondContact O-N 2.84Å; T47-K50 PolarHBondContact O-N 2.87Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 3.41Å; K50-R54 PolarHBondContact O-N 3Å
51	E	76.2	Confident	80.4	Confident	122 Å²	122	90 Å²	90	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-66.7	-40	175.9	-72.5	-168.8	163.1	0	0	113	T47 Y48 M49	T47-E51 PolarHBondContact O-N 3.24Å; Y48-E51 PolarHBondContact O-N 2.91Å; M49-E51 VanDerWaalsContact C-N 3.31Å; M49-E51 PolarHBondContact O-N 2.81Å
52	F	82.1	Confident	80.8	Confident	41 Å²	41	88.8 Å²	88.8	18%	0.18	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-47.8	175.3	171.2	-106.6	0	0	0	111.2	Y48 M49 R54 K55 S56 L97 R98 D101	Y48-F52 PolarHBondContact O-N 3Å; M49-F52 PolarHBondContact O-N 2.84Å; M49-F52 VanDerWaalsContact O-N 3.15Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 3.21Å; F52-K55 PolarHBondContact O-N 3.02Å; F52-K55 VanDerWaalsContact O-N 3.08Å; F52-S56 PolarHBondContact O-N 3.44Å; F52-L97 HydrophobicContact CD1-CD2 4.17Å; F52-L97 HydrophobicContact CD1-CG 4.49Å; F52-L97 HydrophobicContact CE1-CD1 4.33Å; F52-L97 HydrophobicContact CE1-CD2 3.96Å; F52-L97 HydrophobicContact CE1-CG 3.79Å; F52-R98 HydrophobicContact CE2-CG 4.26Å; F52-R98 HydrophobicContact CZ-CG 4.33Å; F52-D101 HydrophobicContact CZ-CB 3.88Å
53	F	83.2	Confident	81.3	Confident	39 Å²	39	83.6 Å²	83.6	17%	0.171	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-35.5	-179	-64	-17.3	0	0	0	112.9	M49 K55 S56 W60 A83 L97	M49-F53 HydrophobicContact CB-CD2 4.45Å; M49-F53 HydrophobicContact CB-CE2 3.98Å; M49-F53 HydrophobicContact CB-CZ 4.03Å; M49-F53 HydrophobicContact CE-CE1 4.27Å; M49-F53 HydrophobicContact CE-CZ 3.83Å; M49-F53 WeakPolarHBondContact O-CB 3.46Å; M49-F53 WeakPolarHBondContact O-CD1 3.37Å; M49-F53 WeakPolarHBondContact O-CD2 3.42Å; M49-F53 WeakPolarHBondContact O-CG 3.34Å; M49-F53 PolarHBondContact O-N 3.21Å; M49-F53 HydrophobicContact SD-CZ 4.45Å; F53-K55 PolarHBondContact O-N 3.42Å; F53-K55 VanDerWaalsContact O-N 3.15Å; F53-S56 WeakPolarHBondContact O-CB 3.41Å; F53-S56 PolarHBondContact O-N 3.31Å; F53-W60 HydrophobicContact CD1-CB 3.32Å; F53-W60 AromaticContact CD1-CD1 3.86Å; F53-W60 AromaticContact CD1-CG 3.89Å; F53-W60 HydrophobicContact CD1-CG 3.89Å; F53-W60 HydrophobicContact CD2-CB 4.15Å; F53-W60 VanDerWaalsContact CD2-O 3.23Å; F53-W60 WeakPolarHBondContact CD2-O 3.49Å; F53-W60 HydrophobicContact CE1-CB 3.26Å; F53-W60 AromaticContact CE1-CG 3.79Å; F53-W60 HydrophobicContact CE1-CG 3.79Å; F53-W60 HydrophobicContact CE2-CB 4.12Å; F53-W60 HydrophobicContact CG-CB 3.78Å; F53-W60 HydrophobicContact CZ-CB 3.69Å; F53-A83 HydrophobicContact CZ-CB 4.23Å; F53-L97 HydrophobicContact CE1-CD1 4.41Å; F53-L97 HydrophobicContact CE1-CD2 3.76Å; F53-L97 HydrophobicContact CZ-CD2 4.3Å
54	R	75.4	Confident	81.9	Confident	196 Å²	196	84.1 Å²	84.1	74%	0.74	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.5	177.3	-166	178.8	68.2	-170.3	-2	114	K50 F52	K50-R54 PolarHBondContact O-N 3Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 3.21Å
55	K	80.4	Confident	82.5	Confident	178 Å²	178	82.2 Å²	82.2	77%	0.774	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.2	-178.9	-64.3	-178.7	-179.5	177.3	0	113.2	F52 F53	F52-K55 PolarHBondContact O-N 3.02Å; F52-K55 VanDerWaalsContact O-N 3.08Å; F53-K55 PolarHBondContact O-N 3.42Å; F53-K55 VanDerWaalsContact O-N 3.15Å
56	S	86.6	Confident	83.1	Confident	20 Å²	20	78.3 Å²	78.3	14%	0.14	36%	0.364	C	S	.	.			trans	-76.5	150.3	-176.1	162.2	0	0	0	0	111.2	F52 F53 H58 W60 D101	F52-S56 PolarHBondContact O-N 3.44Å; F53-S56 WeakPolarHBondContact O-CB 3.41Å; F53-S56 PolarHBondContact O-N 3.31Å; S56-H58 VanDerWaalsContact C-N 3.28Å; S56-H58 WeakPolarHBondContact CB-O 3.38Å; S56-H58 WeakPolarHBondContact OG-CA 3.5Å; S56-H58 WeakPolarHBondContact OG-CB 3.24Å; S56-H58 PolarHBondContact OG-N 2.89Å; S56-H58 PolarHBondContact OG-O 3.46Å; S56-W60 PolarHBondContact OG-NE1 3.14Å; S56-D101 PolarHBondContact OG-OD1 2.78Å
57	K	87.8	Confident	83.8	Confident	113 Å²	113	79.4 Å²	79.4	49%	0.491	38%	0.376	S	S	.	.	S	Bend	trans	-79.9	-15.3	169.4	61.6	170.5	166.8	174	0	112.6	D101 R102 L104 C106	K57-D101 WeakPolarHBondContact CE-O 3.44Å; K57-D101 PolarHBondContact NZ-O 3.41Å; K57-D101 VanDerWaalsContact NZ-O 3.12Å; K57-R102 PolarHBondContact NZ-O 2.94Å; K57-L104 WeakPolarHBondContact CE-O 3.43Å; K57-L104 PolarHBondContact NZ-O 3.34Å; K57-C106 PolarHBondContact O-SG 2.87Å
58	H	91.7	Very high	84.4	Confident	3 Å²	3	78.3 Å²	78.3	1%	0.014	36%	0.364	C	S	.	.	S	Bend	trans	-96.4	138.3	173	-70.1	-94.2	0	0	0	110	S56 W60 C85 C88 D101 L104 P105	S56-H58 VanDerWaalsContact C-N 3.28Å; S56-H58 WeakPolarHBondContact CB-O 3.38Å; S56-H58 WeakPolarHBondContact OG-CA 3.5Å; S56-H58 WeakPolarHBondContact OG-CB 3.24Å; S56-H58 PolarHBondContact OG-N 2.89Å; S56-H58 PolarHBondContact OG-O 3.46Å; H58-W60 VanDerWaalsContact C-N 3.27Å; H58-W60 HydrophobicContact CB-CD2 3.97Å; H58-W60 VanDerWaalsContact CB-CE2 3.49Å; H58-W60 HydrophobicContact CB-CG 4.1Å; H58-W60 HydrophobicContact CB-CZ2 3.94Å; H58-W60 AromaticContact CG-CE2 3.9Å; H58-W60 AromaticContact CG-CZ2 3.82Å; H58-W60 PolarHBondContact O-N 3.26Å; H58-C85 HydrophobicContact CB-CB 4.12Å; H58-C88 PolarHBondContact ND1-SG 3.09Å; H58-D101 IonicContact CD2-OD1 3.29Å; H58-D101 PolarHBondContact CD2-OD1 3.2Å; H58-L104 PolarHBondContact NE2-O 3.42Å; H58-P105 PolarHBondContact CE1-O 2.96Å
59	G	89.7	Confident	85.1	Confident	29 Å²	29	76.1 Å²	76.1	30%	0.299	37%	0.367	S	S	.	.			trans	-77.1	76.8	167.3	0	0	0	0	0	110.4	C85 D86	G59-C85 PolarHBondContact N-SG 3.32Å; G59-C85 VanDerWaalsContact N-SG 3.38Å; G59-C85 VanDerWaalsContact O-CA 3.31Å; G59-C85 WeakPolarHBondContact O-CA 3.47Å; G59-D86 PolarHBondContact O-N 2.99Å
60	W	92	Very high	85.9	Confident	6 Å²	6	75.6 Å²	75.6	2%	0.023	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.1	-176.6	-70.3	117.2	0	0	0	112.4	F53 S56 H58 A83 F84 C85 V90 A92 L97 A100 D101	F53-W60 HydrophobicContact CD1-CB 3.32Å; F53-W60 AromaticContact CD1-CD1 3.86Å; F53-W60 AromaticContact CD1-CG 3.89Å; F53-W60 HydrophobicContact CD1-CG 3.89Å; F53-W60 HydrophobicContact CD2-CB 4.15Å; F53-W60 VanDerWaalsContact CD2-O 3.23Å; F53-W60 WeakPolarHBondContact CD2-O 3.49Å; F53-W60 HydrophobicContact CE1-CB 3.26Å; F53-W60 AromaticContact CE1-CG 3.79Å; F53-W60 HydrophobicContact CE1-CG 3.79Å; F53-W60 HydrophobicContact CE2-CB 4.12Å; F53-W60 HydrophobicContact CG-CB 3.78Å; F53-W60 HydrophobicContact CZ-CB 3.69Å; S56-W60 PolarHBondContact OG-NE1 3.14Å; H58-W60 VanDerWaalsContact C-N 3.27Å; H58-W60 HydrophobicContact CB-CD2 3.97Å; H58-W60 VanDerWaalsContact CB-CE2 3.49Å; H58-W60 HydrophobicContact CB-CG 4.1Å; H58-W60 HydrophobicContact CB-CZ2 3.94Å; H58-W60 AromaticContact CG-CE2 3.9Å; H58-W60 AromaticContact CG-CZ2 3.82Å; H58-W60 PolarHBondContact O-N 3.26Å; W60-A83 HydrophobicContact CE3-CB 3.89Å; W60-A83 HydrophobicContact CZ3-CB 4.5Å; W60-F84 CarbonylContact C-O 3.56Å; W60-F84 WeakPolarHBondContact CA-O 3.4Å; W60-C85 HydrophobicContact CE3-CB 4.13Å; W60-C85 HydrophobicContact CZ3-CB 4.18Å; W60-V90 HydrophobicContact CH2-CB 4.31Å; W60-V90 HydrophobicContact CH2-CG1 3.72Å; W60-V90 HydrophobicContact CZ3-CG1 4.36Å; W60-V90 WeakPolarHBondContact CZ3-O 3.48Å; W60-A92 HydrophobicContact CH2-CB 4.32Å; W60-A92 HydrophobicContact CZ3-CB 4.47Å; W60-L97 HydrophobicContact CD2-CD1 3.55Å; W60-L97 HydrophobicContact CE3-CD1 3.8Å; W60-L97 HydrophobicContact CG-CD1 4.05Å; W60-L97 HydrophobicContact CH2-CD1 4.14Å; W60-L97 HydrophobicContact CZ2-CD1 3.91Å; W60-L97 HydrophobicContact CZ3-CD1 4.08Å; W60-A100 HydrophobicContact CH2-CB 3.88Å; W60-A100 HydrophobicContact CZ2-CB 3.94Å; W60-D101 HydrophobicContact CZ2-CB 4.46Å
61	H	89.3	Confident	86.9	Confident	47 Å²	47	69.3 Å²	69.3	22%	0.218	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.4	168.9	-72.4	-95.5	0	0	0	109.6	A83 F84 D86 E230	H61-A83 CarbonylContact O-C 3.55Å; H61-A83 WeakPolarHBondContact O-CA 3.4Å; H61-A83 WeakPolarHBondContact O-CB 3.26Å; H61-F84 HydrophobicContact CB-CE1 3.99Å; H61-F84 HydrophobicContact CB-CE2 4.34Å; H61-F84 HydrophobicContact CB-CZ 3.89Å; H61-F84 PolarHBondContact N-O 2.91Å; H61-F84 WeakPolarHBondContact O-CD1 3.45Å; H61-F84 PolarHBondContact O-N 3.45Å; H61-D86 IonicContact CD2-OD1 3.34Å; H61-D86 PolarHBondContact CD2-OD1 2.65Å; H61-D86 VanDerWaalsContact CD2-OD1 3.3Å; H61-D86 IonicContact CD2-OD2 3.76Å; H61-D86 PolarHBondContact CD2-OD2 3.09Å; H61-D86 IonicContact CE1-OD2 3.44Å; H61-D86 IonicContact CG-OD1 3.88Å; H61-D86 IonicContact CG-OD2 3.28Å; H61-D86 IonicContact NE2-OD2 3.3Å; H61-D86 PolarHBondContact NE2-OD2 3.19Å; H61-D86 VanDerWaalsContact NE2-OD2 3.11Å; H61-E230 IonicContact CE1-OE1 2.71Å; H61-E230 PolarHBondContact CE1-OE1 2.78Å; H61-E230 VanDerWaalsContact CE1-OE1 3.28Å; H61-E230 IonicContact ND1-OE1 3.92Å; H61-E230 PolarHBondContact ND1-OE1 2.9Å
62	Y	88.7	Confident	87.8	Confident	60 Å²	60	63.5 Å²	63.5	24%	0.235	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.1	180	-173	-87.7	0	0	0	110.4	M49 D64 G82 A83	M49-Y62 HydrophobicContact CE-CD2 3.54Å; M49-Y62 HydrophobicContact CE-CE2 4.02Å; M49-Y62 HydrophobicContact CE-CG 4.42Å; M49-Y62 HydrophobicContact SD-CD2 3.45Å; M49-Y62 WeakPolarHBondContact SD-CD2 3.16Å; M49-Y62 HydrophobicContact SD-CE2 3.9Å; M49-Y62 HydrophobicContact SD-CG 3.9Å; Y62-D64 WeakPolarHBondContact CE1-OD1 3.41Å; Y62-G82 WeakPolarHBondContact CA-O 3.42Å; Y62-G82 VanDerWaalsContact CD2-O 3.26Å; Y62-G82 WeakPolarHBondContact CD2-O 3.49Å; Y62-A83 HydrophobicContact CD2-CB 4.35Å
63	T	87.8	Confident	88.5	Confident	35 Å²	35	62.4 Å²	62.4	22%	0.215	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.2	172	-173.4	0	0	0	0	111.3	L65 F66 G82 F84	T63-L65 VanDerWaalsContact C-N 3.27Å; T63-L65 PolarHBondContact OG1-N 3.37Å; T63-L65 PolarHBondContact OG1-O 3.17Å; T63-F66 HydrophobicContact CG2-CD1 3.54Å; T63-F66 HydrophobicContact CG2-CD2 3.9Å; T63-F66 HydrophobicContact CG2-CE1 3.37Å; T63-F66 HydrophobicContact CG2-CE2 3.75Å; T63-F66 HydrophobicContact CG2-CG 3.8Å; T63-F66 HydrophobicContact CG2-CZ 3.48Å; T63-F66 VanDerWaalsContact CG2-CZ 3.48Å; T63-G82 PolarHBondContact N-O 3.31Å; T63-G82 PolarHBondContact O-N 3Å; T63-G82 VanDerWaalsContact O-N 3.12Å; T63-F84 HydrophobicContact CG2-CD1 4.32Å; T63-F84 HydrophobicContact CG2-CE1 4.44Å
64	D	85.6	Confident	89.1	Confident	80 Å²	80	62 Å²	62	43%	0.428	31%	0.307	S	S	.	.	S	Bend	trans	-74.5	-20.6	174.1	-72.8	-44.6	0	0	0	111.8	Y62 H81	Y62-D64 WeakPolarHBondContact CE1-OD1 3.41Å; D64-H81 WeakPolarHBondContact O-CB 3.41Å
65	L	88.3	Confident	90	Very high	118 Å²	118	54.6 Å²	54.6	62%	0.618	29%	0.285	S	S	*	.	S	Bend	trans	-153.2	121.3	176.7	-173.5	62.6	0	0	0	110.7	T63 L80	T63-L65 VanDerWaalsContact C-N 3.27Å; T63-L65 PolarHBondContact OG1-N 3.37Å; T63-L65 PolarHBondContact OG1-O 3.17Å; L65-L80 CarbonylContact C-O 3.53Å; L65-L80 VanDerWaalsContact CA-O 3.27Å; L65-L80 WeakPolarHBondContact CA-O 3.47Å; L65-L80 HydrophobicContact CD1-CB 4.49Å
66	F	88	Confident	90.8	Very high	27 Å²	27	50.9 Å²	50.9	12%	0.118	27%	0.273	C	S	.	.			trans	-73.1	133.9	167.4	-70.7	-76.7	0	0	0	110.1	T63 K68 T70 I79 L80 F84	T63-F66 HydrophobicContact CG2-CD1 3.54Å; T63-F66 HydrophobicContact CG2-CD2 3.9Å; T63-F66 HydrophobicContact CG2-CE1 3.37Å; T63-F66 HydrophobicContact CG2-CE2 3.75Å; T63-F66 HydrophobicContact CG2-CG 3.8Å; T63-F66 HydrophobicContact CG2-CZ 3.48Å; T63-F66 VanDerWaalsContact CG2-CZ 3.48Å; F66-K68 PolarHBondContact O-N 2.84Å; F66-T70 WeakPolarHBondContact CB-OG1 3.32Å; F66-T70 HydrophobicContact CD1-CG2 3.97Å; F66-T70 HydrophobicContact CD2-CG2 4.11Å; F66-T70 HydrophobicContact CE1-CG2 4.05Å; F66-T70 HydrophobicContact CE2-CG2 4.19Å; F66-T70 HydrophobicContact CG-CG2 4.01Å; F66-T70 HydrophobicContact CZ-CG2 4.17Å; F66-I79 HydrophobicContact CD2-CD1 4.45Å; F66-I79 HydrophobicContact CD2-CG1 4.24Å; F66-I79 HydrophobicContact CE2-CD1 3.71Å; F66-I79 HydrophobicContact CE2-CG1 3.98Å; F66-I79 HydrophobicContact CZ-CD1 4.26Å; F66-L80 WeakPolarHBondContact CD2-O 3.22Å; F66-L80 PolarHBondContact N-O 3.46Å; F66-F84 HydrophobicContact CE1-CB 4.13Å; F66-F84 AromaticContact CE1-CD1 3.85Å; F66-F84 HydrophobicContact CE1-CD1 3.85Å; F66-F84 HydrophobicContact CE1-CG 4.32Å; F66-F84 HydrophobicContact CZ-CB 4.49Å; F66-F84 HydrophobicContact CZ-CD1 4.43Å
67	N	84.9	Confident	91.2	Very high	157 Å²	157	55.9 Å²	55.9	84%	0.84	29%	0.294	S	S	*	.	S	Bend	trans	-79.9	-3.1	179.1	63.3	-7.4	0	0	0	113.7
68	K	87.1	Confident	91.5	Very high	62 Å²	62	55 Å²	55	27%	0.27	29%	0.291	S	S	.	.	S	Bend	trans	-140.8	156.7	179.4	65.4	-179.5	-176.4	170.4	0	110.6	F66 T70 L130	F66-K68 PolarHBondContact O-N 2.84Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 PolarHBondContact O-OG1 2.71Å; K68-L130 HydrophobicContact CD-CG 4.43Å
69	P	89.1	Confident	91.6	Very high	92 Å²	92	55.5 Å²	55.5	60%	0.597	29%	0.294	S	S	*	.			trans	-52.6	116.1	172.2	-24.8	34.4	0	0	0	110.2	Y71	P69-Y71 HydrophobicContact CB-CE2 4.42Å
70	T	94.8	Very high	91.7	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.6	-172.6	-58.8	0	0	0	0	109.1	F66 K68 H78 I79 C91	F66-T70 WeakPolarHBondContact CB-OG1 3.32Å; F66-T70 HydrophobicContact CD1-CG2 3.97Å; F66-T70 HydrophobicContact CD2-CG2 4.11Å; F66-T70 HydrophobicContact CE1-CG2 4.05Å; F66-T70 HydrophobicContact CE2-CG2 4.19Å; F66-T70 HydrophobicContact CG-CG2 4.01Å; F66-T70 HydrophobicContact CZ-CG2 4.17Å; K68-T70 PolarHBondContact O-N 2.87Å; K68-T70 PolarHBondContact O-OG1 2.71Å; T70-H78 PolarHBondContact O-CD2 2.84Å; T70-H78 VanDerWaalsContact O-CD2 3.25Å; T70-I79 HydrophobicContact CG2-CD1 4.13Å; T70-I79 HydrophobicContact CG2-CG1 3.98Å; T70-I79 WeakPolarHBondContact O-CG1 3.36Å; T70-I79 PolarHBondContact O-N 3.3Å; T70-C91 HydrophobicContact CG2-CB 3.75Å
71	Y	95.7	Very high	91.6	Very high	30 Å²	30	63.2 Å²	63.2	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.4	-177.8	-61.4	-94.8	0	0	0	110.1	P69 C73 Q77 H78 N127 P145	P69-Y71 HydrophobicContact CB-CE2 4.42Å; Y71-C73 PolarHBondContact O-N 3.41Å; Y71-Q77 CarbonylContact C-O 3.58Å; Y71-Q77 WeakPolarHBondContact CA-O 3.47Å; Y71-H78 HydrophobicContact CD1-CB 4.02Å; Y71-H78 HydrophobicContact CE1-CB 3.76Å; Y71-H78 AromaticContact CZ-CD2 3.97Å; Y71-N127 PolarHBondContact N-OD1 2.81Å; Y71-N127 PolarHBondContact O-ND2 3.32Å; Y71-N127 PolarHBondContact O-OD1 2.89Å; Y71-P145 WeakPolarHBondContact CE1-O 3.26Å; Y71-P145 WeakPolarHBondContact OH-CA 3.38Å; Y71-P145 PolarHBondContact OH-O 3.31Å; Y71-P145 VanDerWaalsContact OH-O 3.07Å
72	C	96.3	Very high	91.8	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.315	C	S	.	.			trans	-66.9	124.2	174.3	177.1	0	0	0	0	110	V74 C75 L76 Q77 I79 D93 C96	C72-V74 PolarHBondContact O-N 2.82Å; C72-V74 PolarHBondContact SG-N 2.82Å; C72-C75 WeakPolarHBondContact CB-SG 3.44Å; C72-C75 PolarHBondContact SG-N 2.88Å; C72-L76 WeakPolarHBondContact O-CA 3.28Å; C72-L76 PolarHBondContact O-N 2.94Å; C72-Q77 PolarHBondContact N-O 3.2Å; C72-I79 HydrophobicContact CB-CD1 4.32Å; C72-I79 HydrophobicContact CB-CG2 3.83Å; C72-D93 PolarHBondContact SG-OD2 2.92Å; C72-C96 VanDerWaalsContact SG-CB 3.54Å
73	C	96.2	Very high	92	Very high	18 Å²	18	58.2 Å²	58.2	12%	0.122	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	0.1	178.8	-64.2	0	0	0	0	113.9	Y71 V90 C91 L104 N127	Y71-C73 PolarHBondContact O-N 3.41Å; C73-V90 HydrophobicContact CB-CG1 3.88Å; C73-C91 WeakPolarHBondContact CB-O 3.47Å; C73-C91 PolarHBondContact N-O 2.71Å; C73-C91 PolarHBondContact SG-N 3.18Å; C73-C91 VanDerWaalsContact SG-N 3.37Å; C73-C91 PolarHBondContact SG-O 3.27Å; C73-L104 HydrophobicContact CB-CD1 3.78Å; C73-N127 PolarHBondContact SG-ND2 3.1Å
74	V	95.9	Very high	92.3	Very high	31 Å²	31	59.8 Å²	59.8	19%	0.188	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-48.1	-175.8	-154.7	0	0	0	0	113.1	C72 C96 R99 A100 L104	C72-V74 PolarHBondContact O-N 2.82Å; C72-V74 PolarHBondContact SG-N 2.82Å; V74-C96 HydrophobicContact CB-CB 3.96Å; V74-C96 HydrophobicContact CG2-CB 4.06Å; V74-R99 HydrophobicContact CG1-CB 4.34Å; V74-R99 HydrophobicContact CG1-CG 3.86Å; V74-R99 VanDerWaalsContact CG1-CZ 3.4Å; V74-R99 VanDerWaalsContact CG1-NH2 3.31Å; V74-A100 HydrophobicContact CG2-CB 3.57Å; V74-L104 HydrophobicContact CG2-CD1 4.14Å
75	C	95.3	Very high	92.7	Very high	40 Å²	40	56 Å²	56	27%	0.27	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-5.8	176.4	70.9	0	0	0	0	113.3	C72 Q77 D93	C72-C75 WeakPolarHBondContact CB-SG 3.44Å; C72-C75 PolarHBondContact SG-N 2.88Å; C75-Q77 HydrophobicContact CB-CG 4.37Å; C75-Q77 PolarHBondContact O-N 3.17Å; C75-Q77 PolarHBondContact O-NE2 3.26Å; C75-D93 PolarHBondContact SG-OD2 3.17Å
76	L	95.4	Very high	92.8	Very high	99 Å²	99	51 Å²	51	52%	0.518	26%	0.262	S	S	.	.			trans	63.2	4.3	-180	-45.6	180	0	0	0	114.7	C72 L147	C72-L76 WeakPolarHBondContact O-CA 3.28Å; C72-L76 PolarHBondContact O-N 2.94Å; L76-L147 HydrophobicContact CD2-CB 4.21Å; L76-L147 HydrophobicContact CD2-CD2 3.44Å; L76-L147 VanDerWaalsContact CD2-CD2 3.44Å; L76-L147 HydrophobicContact CD2-CG 4.47Å
77	Q	95.3	Very high	93.1	Very high	126 Å²	126	50.3 Å²	50.3	59%	0.589	26%	0.26	S	S	*	.			trans	-79.1	151.3	179.1	-59.2	-54.3	-57.3	0	0	111.3	Y71 C72 C75	Y71-Q77 CarbonylContact C-O 3.58Å; Y71-Q77 WeakPolarHBondContact CA-O 3.47Å; C72-Q77 PolarHBondContact N-O 3.2Å; C75-Q77 HydrophobicContact CB-CG 4.37Å; C75-Q77 PolarHBondContact O-N 3.17Å; C75-Q77 PolarHBondContact O-NE2 3.26Å
78	H	94.9	Very high	93.5	Very high	94 Å²	94	42.9 Å²	42.9	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.2	170.1	-178.2	-109.4	0	0	0	110	T70 Y71	T70-H78 PolarHBondContact O-CD2 2.84Å; T70-H78 VanDerWaalsContact O-CD2 3.25Å; Y71-H78 HydrophobicContact CD1-CB 4.02Å; Y71-H78 HydrophobicContact CE1-CB 3.76Å; Y71-H78 AromaticContact CZ-CD2 3.97Å
79	I	94.3	Very high	93.8	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.072	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.8	-178.2	60.7	174	0	0	0	110.2	F66 T70 C72 C91 D93	F66-I79 HydrophobicContact CD2-CD1 4.45Å; F66-I79 HydrophobicContact CD2-CG1 4.24Å; F66-I79 HydrophobicContact CE2-CD1 3.71Å; F66-I79 HydrophobicContact CE2-CG1 3.98Å; F66-I79 HydrophobicContact CZ-CD1 4.26Å; T70-I79 HydrophobicContact CG2-CD1 4.13Å; T70-I79 HydrophobicContact CG2-CG1 3.98Å; T70-I79 WeakPolarHBondContact O-CG1 3.36Å; T70-I79 PolarHBondContact O-N 3.3Å; C72-I79 HydrophobicContact CB-CD1 4.32Å; C72-I79 HydrophobicContact CB-CG2 3.83Å; I79-C91 HydrophobicContact CD1-CB 4.24Å; I79-D93 HydrophobicContact CG2-CB 3.92Å
80	L	91.3	Very high	94.1	Very high	104 Å²	104	36.6 Å²	36.6	55%	0.545	19%	0.189	S	C	.	.	S	Bend	trans	-91.1	-32.7	174.1	-66.3	174.3	0	0	0	111.7	L65 F66	L65-L80 CarbonylContact C-O 3.53Å; L65-L80 VanDerWaalsContact CA-O 3.27Å; L65-L80 WeakPolarHBondContact CA-O 3.47Å; L65-L80 HydrophobicContact CD1-CB 4.49Å; F66-L80 WeakPolarHBondContact CD2-O 3.22Å; F66-L80 PolarHBondContact N-O 3.46Å
81	H	90.6	Very high	94.2	Very high	93 Å²	93	37 Å²	37	43%	0.431	19%	0.192	S	C	.	.	S	Bend	trans	-134.9	151.9	-180	59.7	-84.8	0	0	0	109.5	D64	D64-H81 WeakPolarHBondContact O-CB 3.41Å
82	G	92.4	Very high	94.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-159.4	-176.8	0	0	0	0	0	111.8	Y62 T63 A92	Y62-G82 WeakPolarHBondContact CA-O 3.42Å; Y62-G82 VanDerWaalsContact CD2-O 3.26Å; Y62-G82 WeakPolarHBondContact CD2-O 3.49Å; T63-G82 PolarHBondContact N-O 3.31Å; T63-G82 PolarHBondContact O-N 3Å; T63-G82 VanDerWaalsContact O-N 3.12Å; G82-A92 WeakPolarHBondContact CA-O 3.46Å
83	A	92.9	Very high	94	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.9	175.6	0	0	0	0	0	111.3	F53 W60 H61 Y62 C91 A92 L97	F53-A83 HydrophobicContact CZ-CB 4.23Å; W60-A83 HydrophobicContact CE3-CB 3.89Å; W60-A83 HydrophobicContact CZ3-CB 4.5Å; H61-A83 CarbonylContact O-C 3.55Å; H61-A83 WeakPolarHBondContact O-CA 3.4Å; H61-A83 WeakPolarHBondContact O-CB 3.26Å; Y62-A83 HydrophobicContact CD2-CB 4.35Å; A83-C91 CarbonylContact O-C 3.55Å; A83-C91 WeakPolarHBondContact O-CA 3.31Å; A83-A92 PolarHBondContact N-O 2.99Å; A83-A92 PolarHBondContact O-N 3.33Å; A83-L97 HydrophobicContact CB-CD1 3.88Å
84	F	93.8	Very high	93.7	Very high	69 Å²	69	39.7 Å²	39.7	30%	0.303	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.7	171	67	-82.3	0	0	0	110.2	W60 H61 T63 F66 D86 V90	W60-F84 CarbonylContact C-O 3.56Å; W60-F84 WeakPolarHBondContact CA-O 3.4Å; H61-F84 HydrophobicContact CB-CE1 3.99Å; H61-F84 HydrophobicContact CB-CE2 4.34Å; H61-F84 HydrophobicContact CB-CZ 3.89Å; H61-F84 PolarHBondContact N-O 2.91Å; H61-F84 WeakPolarHBondContact O-CD1 3.45Å; H61-F84 PolarHBondContact O-N 3.45Å; T63-F84 HydrophobicContact CG2-CD1 4.32Å; T63-F84 HydrophobicContact CG2-CE1 4.44Å; F66-F84 HydrophobicContact CE1-CB 4.13Å; F66-F84 AromaticContact CE1-CD1 3.85Å; F66-F84 HydrophobicContact CE1-CD1 3.85Å; F66-F84 HydrophobicContact CE1-CG 4.32Å; F66-F84 HydrophobicContact CZ-CB 4.49Å; F66-F84 HydrophobicContact CZ-CD1 4.43Å; F84-D86 WeakPolarHBondContact CE2-OD1 3.19Å; F84-V90 CarbonylContact C-O 3.59Å; F84-V90 VanDerWaalsContact CA-O 3.24Å; F84-V90 WeakPolarHBondContact CA-O 3.5Å
85	C	93.9	Very high	93.5	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124	177	178.6	0	0	0	0	111.3	H58 G59 W60 C87 C88 G89 V90	H58-C85 HydrophobicContact CB-CB 4.12Å; G59-C85 PolarHBondContact N-SG 3.32Å; G59-C85 VanDerWaalsContact N-SG 3.38Å; G59-C85 VanDerWaalsContact O-CA 3.31Å; G59-C85 WeakPolarHBondContact O-CA 3.47Å; W60-C85 HydrophobicContact CE3-CB 4.13Å; W60-C85 HydrophobicContact CZ3-CB 4.18Å; C85-C87 PolarHBondContact O-N 3.31Å; C85-C87 VanDerWaalsContact O-N 3.17Å; C85-C87 PolarHBondContact SG-N 3.1Å; C85-C87 VanDerWaalsContact SG-N 3.41Å; C85-C88 VanDerWaalsContact SG-SG 3.61Å; C85-G89 WeakPolarHBondContact O-CA 3.47Å; C85-G89 PolarHBondContact O-N 3.26Å; C85-V90 PolarHBondContact N-O 2.95Å
86	D	91.8	Very high	93.5	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.064	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.6	179	-75.6	10.8	0	0	0	114.5	G59 H61 F84 G234 R237 T238	G59-D86 PolarHBondContact O-N 2.99Å; H61-D86 IonicContact CD2-OD1 3.34Å; H61-D86 PolarHBondContact CD2-OD1 2.65Å; H61-D86 VanDerWaalsContact CD2-OD1 3.3Å; H61-D86 IonicContact CD2-OD2 3.76Å; H61-D86 PolarHBondContact CD2-OD2 3.09Å; H61-D86 IonicContact CE1-OD2 3.44Å; H61-D86 IonicContact CG-OD1 3.88Å; H61-D86 IonicContact CG-OD2 3.28Å; H61-D86 IonicContact NE2-OD2 3.3Å; H61-D86 PolarHBondContact NE2-OD2 3.19Å; H61-D86 VanDerWaalsContact NE2-OD2 3.11Å; F84-D86 WeakPolarHBondContact CE2-OD1 3.19Å; D86-G234 VanDerWaalsContact O-O 3.07Å; D86-G234 WeakPolarHBondContact OD2-CA 3.27Å; D86-R237 CarbonylContact O-C 3.57Å; D86-T238 PolarHBondContact O-N 3.44Å; D86-T238 VanDerWaalsContact O-N 3.14Å; D86-T238 PolarHBondContact O-OG1 2.83Å
87	C	93.8	Very high	93.4	Very high	12 Å²	12	41 Å²	41	8%	0.081	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-42.3	-178	-58	0	0	0	0	112.1	C85 K107 P242	C85-C87 PolarHBondContact O-N 3.31Å; C85-C87 VanDerWaalsContact O-N 3.17Å; C85-C87 PolarHBondContact SG-N 3.1Å; C85-C87 VanDerWaalsContact SG-N 3.41Å; C87-K107 HydrophobicContact CB-CB 4.05Å; C87-K107 WeakPolarHBondContact O-CD 3.42Å; C87-P242 HydrophobicContact CB-CG 4.13Å
88	C	93.8	Very high	93.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-13.6	-174.1	65.4	0	0	0	0	114.1	H58 C85 V90 V124 R151 V153	H58-C88 PolarHBondContact ND1-SG 3.09Å; C85-C88 VanDerWaalsContact SG-SG 3.61Å; C88-V90 VanDerWaalsContact C-N 3.28Å; C88-V90 HydrophobicContact CB-CG2 4.49Å; C88-V90 PolarHBondContact O-N 3.19Å; C88-V90 WeakPolarHBondContact SG-CG2 3.47Å; C88-V124 HydrophobicContact CB-CG2 4.38Å; C88-R151 PolarHBondContact O-NH2 3.22Å; C88-V153 HydrophobicContact CB-CG1 3.97Å
89	G	92.9	Very high	93.2	Very high	18 Å²	18	42.8 Å²	42.8	19%	0.186	20%	0.201	C	C	.	.			trans	74.6	10.7	-177.2	0	0	0	0	0	115	C85 C91	C85-G89 WeakPolarHBondContact O-CA 3.47Å; C85-G89 PolarHBondContact O-N 3.26Å; G89-C91 PolarHBondContact O-N 3.38Å
90	V	95.3	Very high	93.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	20%	0.197	C	C	.	.			trans	-61.7	132.8	172.7	170.3	0	0	0	0	109.1	W60 C73 F84 C85 C88 L104 V124	W60-V90 HydrophobicContact CH2-CB 4.31Å; W60-V90 HydrophobicContact CH2-CG1 3.72Å; W60-V90 HydrophobicContact CZ3-CG1 4.36Å; W60-V90 WeakPolarHBondContact CZ3-O 3.48Å; C73-V90 HydrophobicContact CB-CG1 3.88Å; F84-V90 CarbonylContact C-O 3.59Å; F84-V90 VanDerWaalsContact CA-O 3.24Å; F84-V90 WeakPolarHBondContact CA-O 3.5Å; C85-V90 PolarHBondContact N-O 2.95Å; C88-V90 VanDerWaalsContact C-N 3.28Å; C88-V90 HydrophobicContact CB-CG2 4.49Å; C88-V90 PolarHBondContact O-N 3.19Å; C88-V90 WeakPolarHBondContact SG-CG2 3.47Å; V90-L104 HydrophobicContact CG1-CD1 3.53Å; V90-L104 HydrophobicContact CG2-CD1 4.36Å; V90-V124 HydrophobicContact CG2-CG1 3.89Å; V90-V124 HydrophobicContact CG2-CG2 4.47Å
91	C	95.8	Very high	93.2	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.068	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.2	175.5	-58.7	0	0	0	0	110.6	T70 C73 I79 A83 G89	T70-C91 HydrophobicContact CG2-CB 3.75Å; C73-C91 WeakPolarHBondContact CB-O 3.47Å; C73-C91 PolarHBondContact N-O 2.71Å; C73-C91 PolarHBondContact SG-N 3.18Å; C73-C91 VanDerWaalsContact SG-N 3.37Å; C73-C91 PolarHBondContact SG-O 3.27Å; I79-C91 HydrophobicContact CD1-CB 4.24Å; A83-C91 CarbonylContact O-C 3.55Å; A83-C91 WeakPolarHBondContact O-CA 3.31Å; G89-C91 PolarHBondContact O-N 3.38Å
92	A	95.8	Very high	93.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.2	176.9	0	0	0	0	0	111.6	W60 G82 A83 C96 A100	W60-A92 HydrophobicContact CH2-CB 4.32Å; W60-A92 HydrophobicContact CZ3-CB 4.47Å; G82-A92 WeakPolarHBondContact CA-O 3.46Å; A83-A92 PolarHBondContact N-O 2.99Å; A83-A92 PolarHBondContact O-N 3.33Å; A92-C96 HydrophobicContact CB-CB 4.38Å; A92-A100 HydrophobicContact CB-CB 3.77Å
93	D	93.9	Very high	93.3	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.139	22%	0.217	C	C	.	.			trans	-67.6	166.5	165.1	64.2	73.2	0	0	0	111.4	C72 C75 I79 Q95 C96 L97	C72-D93 PolarHBondContact SG-OD2 2.92Å; C75-D93 PolarHBondContact SG-OD2 3.17Å; I79-D93 HydrophobicContact CG2-CB 3.92Å; D93-Q95 PolarHBondContact O-N 3.2Å; D93-Q95 WeakPolarHBondContact OD1-CA 3.36Å; D93-Q95 VanDerWaalsContact OD1-CB 3.31Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.2Å; D93-Q95 PolarHBondContact OD1-N 3.44Å; D93-C96 PolarHBondContact O-N 2.79Å; D93-C96 WeakPolarHBondContact OD1-CB 3.42Å; D93-C96 PolarHBondContact OD1-N 2.76Å; D93-C96 WeakPolarHBondContact OD2-CB 3.42Å; D93-C96 PolarHBondContact OD2-SG 2.88Å; D93-L97 PolarHBondContact O-N 3.42Å
94	E	89.8	Confident	93.3	Very high	78 Å²	78	48.6 Å²	48.6	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.5	-177.5	-168.4	176	176	0	0	113	R45	R45-E94 IonicContact NH1-OE2 3.49Å; R45-E94 PolarHBondContact NH1-OE2 3.08Å
95	Q	91.7	Very high	93.2	Very high	182 Å²	182	47.6 Å²	47.6	85%	0.85	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-36.7	-179.1	-54	178	11.4	0	0	111.5	D93	D93-Q95 PolarHBondContact O-N 3.2Å; D93-Q95 WeakPolarHBondContact OD1-CA 3.36Å; D93-Q95 VanDerWaalsContact OD1-CB 3.31Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.2Å; D93-Q95 PolarHBondContact OD1-N 3.44Å
96	C	94.8	Very high	93.2	Very high	10 Å²	10	48 Å²	48	7%	0.068	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.5	-179.4	-73.3	0	0	0	0	113.4	C72 V74 A92 D93 R98 R99 A100	C72-C96 VanDerWaalsContact SG-CB 3.54Å; V74-C96 HydrophobicContact CB-CB 3.96Å; V74-C96 HydrophobicContact CG2-CB 4.06Å; A92-C96 HydrophobicContact CB-CB 4.38Å; D93-C96 PolarHBondContact O-N 2.79Å; D93-C96 WeakPolarHBondContact OD1-CB 3.42Å; D93-C96 PolarHBondContact OD1-N 2.76Å; D93-C96 WeakPolarHBondContact OD2-CB 3.42Å; D93-C96 PolarHBondContact OD2-SG 2.88Å; C96-R98 PolarHBondContact O-N 2.8Å; C96-R99 CarbonylContact O-C 3.51Å; C96-R99 WeakPolarHBondContact O-CA 3.46Å; C96-R99 WeakPolarHBondContact O-CB 3.34Å; C96-R99 PolarHBondContact O-N 2.68Å; C96-R99 PolarHBondContact SG-NH2 2.91Å; C96-A100 PolarHBondContact O-N 3.29Å
97	L	92.1	Very high	93.2	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-51.8	-48	-173.5	-179.8	60.1	0	0	0	114.2	M49 F52 F53 W60 A83 D93 R99 A100 D101	M49-L97 HydrophobicContact CE-CD2 3.29Å; F52-L97 HydrophobicContact CD1-CD2 4.17Å; F52-L97 HydrophobicContact CD1-CG 4.49Å; F52-L97 HydrophobicContact CE1-CD1 4.33Å; F52-L97 HydrophobicContact CE1-CD2 3.96Å; F52-L97 HydrophobicContact CE1-CG 3.79Å; F53-L97 HydrophobicContact CE1-CD1 4.41Å; F53-L97 HydrophobicContact CE1-CD2 3.76Å; F53-L97 HydrophobicContact CZ-CD2 4.3Å; W60-L97 HydrophobicContact CD2-CD1 3.55Å; W60-L97 HydrophobicContact CE3-CD1 3.8Å; W60-L97 HydrophobicContact CG-CD1 4.05Å; W60-L97 HydrophobicContact CH2-CD1 4.14Å; W60-L97 HydrophobicContact CZ2-CD1 3.91Å; W60-L97 HydrophobicContact CZ3-CD1 4.08Å; A83-L97 HydrophobicContact CB-CD1 3.88Å; D93-L97 PolarHBondContact O-N 3.42Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.92Å; L97-A100 WeakPolarHBondContact O-CB 3.33Å; L97-A100 PolarHBondContact O-N 3.16Å; L97-D101 PolarHBondContact O-N 3.1Å
98	R	91.4	Very high	93	Very high	143 Å²	143	51.5 Å²	51.5	54%	0.54	25%	0.245	S	C	.	.	H	α-helix	trans	-65.3	-35	177.5	-71.3	179.6	177.3	-96.1	-2.4	112.6	Y48 F52 C96 R102	Y48-R98 PolarHBondContact OH-NH2 2.84Å; F52-R98 HydrophobicContact CE2-CG 4.26Å; F52-R98 HydrophobicContact CZ-CG 4.33Å; C96-R98 PolarHBondContact O-N 2.8Å; R98-R102 PolarHBondContact O-N 2.83Å
99	R	94.3	Very high	92.9	Very high	113 Å²	113	55 Å²	55	43%	0.426	26%	0.262	S	S	.	.	H	α-helix	trans	-70.4	-44.5	176.8	-173.5	169	60.8	159.7	7.8	109.7	V74 C96 L97 R102 S103	V74-R99 HydrophobicContact CG1-CB 4.34Å; V74-R99 HydrophobicContact CG1-CG 3.86Å; V74-R99 VanDerWaalsContact CG1-CZ 3.4Å; V74-R99 VanDerWaalsContact CG1-NH2 3.31Å; C96-R99 CarbonylContact O-C 3.51Å; C96-R99 WeakPolarHBondContact O-CA 3.46Å; C96-R99 WeakPolarHBondContact O-CB 3.34Å; C96-R99 PolarHBondContact O-N 2.68Å; C96-R99 PolarHBondContact SG-NH2 2.91Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.92Å; R99-R102 PolarHBondContact O-N 3.38Å; R99-S103 WeakPolarHBondContact O-CB 3.46Å; R99-S103 PolarHBondContact O-N 3.24Å; R99-S103 PolarHBondContact O-OG 3.26Å
100	A	93.9	Very high	92.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-51.8	174.9	0	0	0	0	0	111.1	W60 V74 A92 C96 L97 R102 S103 L104	W60-A100 HydrophobicContact CH2-CB 3.88Å; W60-A100 HydrophobicContact CZ2-CB 3.94Å; V74-A100 HydrophobicContact CG2-CB 3.57Å; A92-A100 HydrophobicContact CB-CB 3.77Å; C96-A100 PolarHBondContact O-N 3.29Å; L97-A100 WeakPolarHBondContact O-CB 3.33Å; L97-A100 PolarHBondContact O-N 3.16Å; A100-R102 VanDerWaalsContact C-N 3.31Å; A100-R102 PolarHBondContact O-N 2.72Å; A100-S103 PolarHBondContact O-N 3.31Å; A100-L104 HydrophobicContact CB-CD1 4.26Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.28Å
101	D	93.3	Very high	92.7	Very high	28 Å²	28	59.6 Å²	59.6	15%	0.15	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-43.3	178.8	-176.8	62.5	0	0	0	111.5	F52 S56 K57 H58 W60 L97	F52-D101 HydrophobicContact CZ-CB 3.88Å; S56-D101 PolarHBondContact OG-OD1 2.78Å; K57-D101 WeakPolarHBondContact CE-O 3.44Å; K57-D101 PolarHBondContact NZ-O 3.41Å; K57-D101 VanDerWaalsContact NZ-O 3.12Å; H58-D101 IonicContact CD2-OD1 3.29Å; H58-D101 PolarHBondContact CD2-OD1 3.2Å; W60-D101 HydrophobicContact CZ2-CB 4.46Å; L97-D101 PolarHBondContact O-N 3.1Å
102	R	91.8	Very high	92.3	Very high	194 Å²	194	63.2 Å²	63.2	73%	0.732	31%	0.307	S	S	*	.	H	α-helix	trans	-71.6	-50.3	179.2	-172.7	174.9	61.7	-147.4	-1.9	113	K57 R98 R99 A100	K57-R102 PolarHBondContact NZ-O 2.94Å; R98-R102 PolarHBondContact O-N 2.83Å; R99-R102 PolarHBondContact O-N 3.38Å; A100-R102 VanDerWaalsContact C-N 3.31Å; A100-R102 PolarHBondContact O-N 2.72Å
103	S	93.1	Very high	91.7	Very high	71 Å²	71	65.3 Å²	65.3	50%	0.497	32%	0.322	S	S	.	.	H	α-helix	trans	-87.3	-30.1	-166.5	64.8	0	0	0	0	114.3	R99 A100	R99-S103 WeakPolarHBondContact O-CB 3.46Å; R99-S103 PolarHBondContact O-N 3.24Å; R99-S103 PolarHBondContact O-OG 3.26Å; A100-S103 PolarHBondContact O-N 3.31Å
104	L	93.3	Very high	91.1	Very high	42 Å²	42	67.2 Å²	67.2	22%	0.22	33%	0.327	C	S	.	.	S	Bend	trans	-94.4	132.8	-175.5	-59.4	176.6	0	0	0	110.4	K57 H58 C73 V74 V90 A100	K57-L104 WeakPolarHBondContact CE-O 3.43Å; K57-L104 PolarHBondContact NZ-O 3.34Å; H58-L104 PolarHBondContact NE2-O 3.42Å; C73-L104 HydrophobicContact CB-CD1 3.78Å; V74-L104 HydrophobicContact CG2-CD1 4.14Å; V90-L104 HydrophobicContact CG1-CD1 3.53Å; V90-L104 HydrophobicContact CG2-CD1 4.36Å; A100-L104 HydrophobicContact CB-CD1 4.26Å; A100-L104 WeakPolarHBondContact O-CB 3.42Å; A100-L104 PolarHBondContact O-N 3.28Å
105	P	91.3	Very high	90.5	Very high	48 Å²	48	70.5 Å²	70.5	31%	0.312	36%	0.355	S	S	.	.			trans	-70.3	149.8	173.4	29.7	-32.8	0	0	0	110.7	H58 R122	H58-P105 PolarHBondContact CE1-O 2.96Å; P105-R122 VanDerWaalsContact CG-NH1 3.31Å
106	C	92.6	Very high	89.8	Confident	10 Å²	10	67.2 Å²	67.2	7%	0.068	34%	0.343	C	S	.	.			trans	-104.6	179.3	170.9	-166.7	0	0	0	0	109.5	K57 E108	K57-C106 PolarHBondContact O-SG 2.87Å; C106-E108 PolarHBondContact O-N 3.37Å
107	K	92.3	Very high	88.8	Confident	9 Å²	9	69 Å²	69	4%	0.039	36%	0.363	C	S	.	.			trans	-65.1	112.6	172.1	-163.6	166.7	-175.4	178.4	0	109.5	C87 V153 W154 R237 T238 L239 L240 P242	C87-K107 HydrophobicContact CB-CB 4.05Å; C87-K107 WeakPolarHBondContact O-CD 3.42Å; K107-V153 VanDerWaalsContact CE-O 3.26Å; K107-V153 WeakPolarHBondContact CE-O 3.31Å; K107-V153 HydrophobicContact CG-CG2 4.23Å; K107-V153 PolarHBondContact NZ-O 2.97Å; K107-W154 HydrophobicContact CD-CE3 4.47Å; K107-W154 HydrophobicContact CD-CH2 4.12Å; K107-W154 HydrophobicContact CD-CZ2 4.34Å; K107-W154 HydrophobicContact CD-CZ3 4.21Å; K107-W154 HydrophobicContact CG-CD2 4.41Å; K107-W154 HydrophobicContact CG-CE3 4.5Å; K107-W154 HydrophobicContact CG-CH2 3.55Å; K107-W154 HydrophobicContact CG-CZ2 3.42Å; K107-W154 VanDerWaalsContact CG-CZ2 3.42Å; K107-W154 HydrophobicContact CG-CZ3 4.12Å; K107-R237 PolarHBondContact NZ-O 2.83Å; K107-T238 PolarHBondContact NZ-O 3.23Å; K107-L239 VanDerWaalsContact NZ-C 3.34Å; K107-L239 PolarHBondContact NZ-O 3.07Å; K107-L240 VanDerWaalsContact CE-O 3.22Å; K107-L240 WeakPolarHBondContact CE-O 3.26Å; K107-L240 PolarHBondContact NZ-O 2.8Å; K107-P242 HydrophobicContact CB-CG 4.38Å; K107-P242 HydrophobicContact CD-CG 4.27Å; K107-P242 HydrophobicContact CG-CG 4.38Å
108	E	90.4	Very high	88.3	Confident	88 Å²	88	69.8 Å²	69.8	41%	0.411	37%	0.37	S	S	.	.			trans	-79.1	123.3	-175.1	-73.6	167.6	109.7	0	0	111.4	C106 M110 A111 R122 W154 P185	C106-E108 PolarHBondContact O-N 3.37Å; E108-M110 VanDerWaalsContact C-N 3.31Å; E108-M110 PolarHBondContact O-N 2.75Å; E108-A111 HydrophobicContact CB-CB 4.35Å; E108-R122 IonicContact OE1-NH2 3.26Å; E108-R122 IonicContact OE2-CZ 3.35Å; E108-R122 IonicContact OE2-NE 2.7Å; E108-R122 IonicContact OE2-NH2 2.76Å; E108-R122 PolarHBondContact OE2-NH2 3.33Å; E108-W154 VanDerWaalsContact O-CZ2 3.25Å; E108-W154 WeakPolarHBondContact O-CZ2 3.39Å; E108-P185 WeakPolarHBondContact O-CG 3.25Å
109	I	92.3	Very high	88	Confident	74 Å²	74	64.2 Å²	64.2	38%	0.379	35%	0.351	S	S	.	.	S	Bend	trans	-67.3	-35.1	-179.9	-62.9	174.1	0	0	0	111.5	L188 N241 P242 V243	I109-L188 HydrophobicContact CG2-CD1 4.2Å; I109-N241 PolarHBondContact O-ND2 3.23Å; I109-N241 VanDerWaalsContact O-ND2 3.11Å; I109-P242 HydrophobicContact CG1-CB 4.43Å; I109-V243 HydrophobicContact CG2-CB 3.61Å; I109-V243 HydrophobicContact CG2-CG1 4.09Å; I109-V243 HydrophobicContact CG2-CG2 4.01Å
110	M	92.3	Very high	87.7	Confident	98 Å²	98	63.8 Å²	63.8	48%	0.483	35%	0.354	S	S	.	.	S	Bend	trans	-136.2	129	178.5	-57.7	-174	-74.4	0	0	109.1	E108 P185 L188 N192	E108-M110 VanDerWaalsContact C-N 3.31Å; E108-M110 PolarHBondContact O-N 2.75Å; M110-P185 WeakPolarHBondContact CA-O 3.36Å; M110-L188 HydrophobicContact CG-CB 3.7Å; M110-L188 HydrophobicContact CG-CD1 4.48Å; M110-L188 HydrophobicContact SD-CB 4.22Å; M110-N192 HydrophobicContact SD-CB 4.36Å
111	A	90.2	Very high	87.6	Confident	20 Å²	20	65 Å²	65	17%	0.165	36%	0.36	C	S	.	.			trans	-150.1	144.5	177.8	0	0	0	0	0	109.9	E108 P185 H186	E108-A111 HydrophobicContact CB-CB 4.35Å; A111-P185 HydrophobicContact CB-CB 3.89Å; A111-P185 PolarHBondContact N-O 2.78Å; A111-P185 CarbonylContact O-C 3.59Å; A111-H186 WeakPolarHBondContact O-CA 3.34Å; A111-H186 PolarHBondContact O-N 2.83Å
112	P	87.7	Confident	87.6	Confident	86 Å²	86	67.4 Å²	67.4	56%	0.558	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-64.9	146.5	173.9	28.6	-33.7	0	0	0	110.9	Y189	P112-Y189 HydrophobicContact CB-CD1 4.15Å; P112-Y189 HydrophobicContact CB-CE1 3.79Å; P112-Y189 HydrophobicContact CB-CE2 4.39Å
113	S	83.1	Confident	87.7	Confident	45 Å²	45	61 Å²	61	32%	0.315	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-74.3	163.5	164.3	58.6	0	0	0	0	110.5
114	R	82.4	Confident	87.7	Confident	65 Å²	65	58.3 Å²	58.3	25%	0.245	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-61.5	162.3	166.9	-79.6	-176.7	156.3	-175	1.5	111.4	D116 G117 S118 E120 E171	R114-D116 WeakPolarHBondContact CB-OD1 3.49Å; R114-D116 PolarHBondContact O-N 2.86Å; R114-D116 VanDerWaalsContact O-N 3.17Å; R114-G117 WeakPolarHBondContact O-CA 3.34Å; R114-G117 PolarHBondContact O-N 2.94Å; R114-S118 VanDerWaalsContact CD-OG 3.28Å; R114-S118 WeakPolarHBondContact CD-OG 3.42Å; R114-S118 PolarHBondContact N-O 2.75Å; R114-E120 HydrophobicContact CG-CG 4.04Å; R114-E120 IonicContact CZ-OE1 3.41Å; R114-E120 IonicContact NE-OE1 2.82Å; R114-E120 PolarHBondContact NE-OE1 2.88Å; R114-E120 IonicContact NH2-OE1 2.76Å; R114-E120 PolarHBondContact NH2-OE1 2.79Å; R114-E171 IonicContact CZ-OE2 3.95Å; R114-E171 IonicContact NH1-OE2 3.86Å; R114-E171 PolarHBondContact NH1-OE2 2.89Å; R114-E171 IonicContact NH2-OE2 3.11Å; R114-E171 PolarHBondContact NH2-OE2 2.74Å
115	P	75.6	Confident	87.8	Confident	147 Å²	147	62 Å²	62	96%	0.955	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.3	177.1	-25.1	34.8	0	0	0	114.1	G117	P115-G117 VanDerWaalsContact C-N 3.29Å
116	D	76.6	Confident	87.8	Confident	113 Å²	113	59.9 Å²	59.9	60%	0.604	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.1	175.5	63.1	2.2	0	0	0	113.6	R114 S118	R114-D116 WeakPolarHBondContact CB-OD1 3.49Å; R114-D116 PolarHBondContact O-N 2.86Å; R114-D116 VanDerWaalsContact O-N 3.17Å; D116-S118 VanDerWaalsContact C-N 3.32Å; D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 WeakPolarHBondContact OD1-CB 3.16Å; D116-S118 PolarHBondContact OD1-N 2.79Å; D116-S118 PolarHBondContact OD1-OG 2.89Å; D116-S118 PolarHBondContact OD2-OG 2.75Å
117	G	75.1	Confident	87.8	Confident	48 Å²	48	60.4 Å²	60.4	50%	0.495	32%	0.324	S	S	.	.	S	Bend	trans	85.8	-3.7	-177.9	0	0	0	0	0	114.7	R114 P115	R114-G117 WeakPolarHBondContact O-CA 3.34Å; R114-G117 PolarHBondContact O-N 2.94Å; P115-G117 VanDerWaalsContact C-N 3.29Å
118	S	80.6	Confident	87.8	Confident	24 Å²	24	60.5 Å²	60.5	17%	0.168	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-76.2	155.3	-179.2	69.2	0	0	0	0	112.5	R114 D116	R114-S118 VanDerWaalsContact CD-OG 3.28Å; R114-S118 WeakPolarHBondContact CD-OG 3.42Å; R114-S118 PolarHBondContact N-O 2.75Å; D116-S118 VanDerWaalsContact C-N 3.32Å; D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 WeakPolarHBondContact OD1-CB 3.16Å; D116-S118 PolarHBondContact OD1-N 2.79Å; D116-S118 PolarHBondContact OD1-OG 2.89Å; D116-S118 PolarHBondContact OD2-OG 2.75Å
119	T	85.8	Confident	87.7	Confident	25 Å²	25	58.5 Å²	58.5	15%	0.153	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-101.3	135.8	173.2	-58.8	0	0	0	0	108.5	T172 C173 L175 H186	T119-T172 CarbonylContact O-C 3.57Å; T119-T172 WeakPolarHBondContact O-CA 3.2Å; T119-C173 PolarHBondContact O-N 3.2Å; T119-L175 HydrophobicContact CG2-CD2 4.34Å; T119-H186 PolarHBondContact OG1-ND1 3.42Å
120	E	88.8	Confident	87.4	Confident	105 Å²	105	61.3 Å²	61.3	49%	0.491	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-81.8	146.9	177.5	-69.6	-177.1	169.5	0	0	111.9	R114 R122 E171	R114-E120 HydrophobicContact CG-CG 4.04Å; R114-E120 IonicContact CZ-OE1 3.41Å; R114-E120 IonicContact NE-OE1 2.82Å; R114-E120 PolarHBondContact NE-OE1 2.88Å; R114-E120 IonicContact NH2-OE1 2.76Å; R114-E120 PolarHBondContact NH2-OE1 2.79Å; E120-R122 PolarHBondContact O-N 3.34Å; E120-E171 WeakPolarHBondContact CA-O 3.26Å
121	H	91.7	Very high	87.1	Confident	25 Å²	25	59.7 Å²	59.7	12%	0.116	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-63	133.6	167.3	-75.7	-80.5	0	0	0	111	W123 C152 C155 D169 A170 T172 C173	H121-W123 HydrophobicContact CB-CD2 4.27Å; H121-W123 VanDerWaalsContact CB-CE2 3.45Å; H121-W123 HydrophobicContact CB-CZ2 3.67Å; H121-W123 VanDerWaalsContact CB-NE1 3.26Å; H121-W123 AromaticContact CD2-CZ2 3.94Å; H121-W123 AromaticContact CG-CE2 3.88Å; H121-W123 AromaticContact CG-CZ2 3.52Å; H121-W123 AromaticContact ND1-CZ2 3.71Å; H121-C152 PolarHBondContact ND1-SG 3.49Å; H121-C155 PolarHBondContact CE1-SG 3.07Å; H121-C155 PolarHBondContact ND1-SG 3.42Å; H121-C155 VanDerWaalsContact ND1-SG 3.35Å; H121-D169 PolarHBondContact CD2-O 2.89Å; H121-D169 PolarHBondContact NE2-O 2.94Å; H121-A170 PolarHBondContact CD2-O 2.99Å; H121-T172 PolarHBondContact NE2-O 3.29Å; H121-C173 HydrophobicContact CB-CB 4.39Å
122	R	92.5	Very high	87.2	Confident	78 Å²	78	59.6 Å²	59.6	29%	0.294	34%	0.335	S	S	.	.			trans	-105.1	96.9	169.6	175.7	65.4	101.7	-177.9	1.7	110.2	P105 E108 E120 C152 V153	P105-R122 VanDerWaalsContact CG-NH1 3.31Å; E108-R122 IonicContact OE1-NH2 3.26Å; E108-R122 IonicContact OE2-CZ 3.35Å; E108-R122 IonicContact OE2-NE 2.7Å; E108-R122 IonicContact OE2-NH2 2.76Å; E108-R122 PolarHBondContact OE2-NH2 3.33Å; E120-R122 PolarHBondContact O-N 3.34Å; R122-C152 PolarHBondContact N-SG 3.07Å; R122-C152 CarbonylContact O-C 3.47Å; R122-C152 WeakPolarHBondContact O-CA 3.46Å; R122-V153 HydrophobicContact CB-CG2 3.73Å; R122-V153 HydrophobicContact CG-CG2 3.59Å; R122-V153 PolarHBondContact O-N 3.27Å
123	W	93.7	Very high	87.6	Confident	60 Å²	60	62.1 Å²	62.1	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	136.5	-177.9	-59.7	107.4	0	0	0	112.9	H121 V150 R151 C152 T157 V159 M164 L167	H121-W123 HydrophobicContact CB-CD2 4.27Å; H121-W123 VanDerWaalsContact CB-CE2 3.45Å; H121-W123 HydrophobicContact CB-CZ2 3.67Å; H121-W123 VanDerWaalsContact CB-NE1 3.26Å; H121-W123 AromaticContact CD2-CZ2 3.94Å; H121-W123 AromaticContact CG-CE2 3.88Å; H121-W123 AromaticContact CG-CZ2 3.52Å; H121-W123 AromaticContact ND1-CZ2 3.71Å; W123-V150 HydrophobicContact CB-CB 4.35Å; W123-V150 HydrophobicContact CD2-CB 4.43Å; W123-V150 HydrophobicContact CD2-CG2 4.14Å; W123-V150 HydrophobicContact CE3-CB 3.86Å; W123-V150 HydrophobicContact CE3-CG2 3.6Å; W123-V150 HydrophobicContact CZ3-CG2 4.02Å; W123-R151 CarbonylContact C-O 3.53Å; W123-R151 WeakPolarHBondContact CA-O 3.16Å; W123-R151 VanDerWaalsContact CE3-C 3.48Å; W123-C152 HydrophobicContact CD2-CB 4.45Å; W123-C152 HydrophobicContact CE3-CB 3.94Å; W123-C152 VanDerWaalsContact CE3-N 3.33Å; W123-C152 HydrophobicContact CH2-CB 4.08Å; W123-C152 HydrophobicContact CZ3-CB 3.76Å; W123-T157 HydrophobicContact CH2-CG2 4.44Å; W123-T157 WeakPolarHBondContact CZ3-O 3.48Å; W123-V159 HydrophobicContact CH2-CG2 3.81Å; W123-V159 HydrophobicContact CZ3-CG2 4.01Å; W123-M164 HydrophobicContact CD2-CE 4.31Å; W123-M164 HydrophobicContact CG-CE 4.5Å; W123-M164 HydrophobicContact CZ2-CE 4.04Å; W123-L167 HydrophobicContact CH2-CD2 4.02Å; W123-L167 HydrophobicContact CZ2-CD2 3.81Å
124	V	94.3	Very high	88.3	Confident	15 Å²	15	60 Å²	60	9%	0.091	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.8	168.3	173.9	0	0	0	0	107.9	C88 V90 V150 R151 V153	C88-V124 HydrophobicContact CB-CG2 4.38Å; V90-V124 HydrophobicContact CG2-CG1 3.89Å; V90-V124 HydrophobicContact CG2-CG2 4.47Å; V124-V150 WeakPolarHBondContact O-CA 3.34Å; V124-R151 PolarHBondContact N-O 2.91Å; V124-R151 PolarHBondContact O-N 3.06Å; V124-V153 HydrophobicContact CB-CG1 4.27Å; V124-V153 HydrophobicContact CG2-CG1 3.43Å; V124-V153 VanDerWaalsContact CG2-CG1 3.43Å
125	R	93.5	Very high	88.8	Confident	118 Å²	118	58.4 Å²	58.4	45%	0.445	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.7	-177.5	-167.6	-174	-175.7	96.3	0.4	111.6	L147 D149 V150 D161	R125-L147 HydrophobicContact CG-CD2 4.43Å; R125-L147 HydrophobicContact CG-CG 4.45Å; R125-L147 PolarHBondContact NE-O 2.76Å; R125-L147 VanDerWaalsContact NE-O 3.17Å; R125-D149 CarbonylContact C-O 3.57Å; R125-D149 WeakPolarHBondContact CA-O 3.3Å; R125-D149 WeakPolarHBondContact CG-O 3.41Å; R125-V150 HydrophobicContact CB-CG1 4.33Å; R125-V150 HydrophobicContact CG-CG1 4.36Å; R125-D161 IonicContact CZ-OD1 3.11Å; R125-D161 IonicContact CZ-OD2 2.7Å; R125-D161 IonicContact NE-OD1 3.49Å; R125-D161 IonicContact NH1-OD1 3.95Å; R125-D161 PolarHBondContact NH1-OD1 2.98Å; R125-D161 IonicContact NH1-OD2 3.06Å; R125-D161 IonicContact NH2-OD1 2.73Å; R125-D161 PolarHBondContact NH2-OD1 3.24Å; R125-D161 VanDerWaalsContact NH2-OD1 3.11Å; R125-D161 IonicContact NH2-OD2 3.82Å; R125-D161 PolarHBondContact NH2-OD2 2.86Å
126	G	91.8	Very high	89.8	Confident	5 Å²	5	54.1 Å²	54.1	5%	0.052	29%	0.291	C	S	.	.	S	Bend	trans	70	-178.1	171.7	0	0	0	0	0	115.7	V128 C148 D149	G126-V128 PolarHBondContact O-N 2.8Å; G126-V128 VanDerWaalsContact O-N 3.13Å; G126-C148 WeakPolarHBondContact CA-O 3.39Å; G126-D149 PolarHBondContact N-O 2.82Å
127	N	92.6	Very high	90.7	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.112	28%	0.279	C	S	.	.			trans	52.4	30.3	-174	-54.6	-47.9	0	0	0	113.4	Y71 C73	Y71-N127 PolarHBondContact N-OD1 2.81Å; Y71-N127 PolarHBondContact O-ND2 3.32Å; Y71-N127 PolarHBondContact O-OD1 2.89Å; C73-N127 PolarHBondContact SG-ND2 3.1Å
128	V	92.1	Very high	91.7	Very high	10 Å²	10	55.7 Å²	55.7	6%	0.061	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-56	149.6	-179.9	-60.9	0	0	0	0	110.8	G126 C141 G142 D149 R151 T158	G126-V128 PolarHBondContact O-N 2.8Å; G126-V128 VanDerWaalsContact O-N 3.13Å; V128-C141 HydrophobicContact CG2-CB 4.08Å; V128-G142 VanDerWaalsContact CG2-CA 3.47Å; V128-D149 HydrophobicContact CG1-CB 4.42Å; V128-R151 HydrophobicContact CG1-CB 4.26Å; V128-T158 HydrophobicContact CB-CG2 4.34Å; V128-T158 HydrophobicContact CG1-CG2 4.25Å
129	P	88.4	Confident	92.4	Very high	46 Å²	46	60.8 Å²	60.8	30%	0.299	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-54.8	148.2	175.3	-25.2	34.1	0	0	0	111.9	S132	P129-S132 WeakPolarHBondContact O-CB 3.49Å; P129-S132 PolarHBondContact O-N 2.84Å; P129-S132 PolarHBondContact O-OG 2.95Å
130	L	85.8	Confident	92.9	Very high	134 Å²	134	63.8 Å²	63.8	70%	0.702	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	150.7	174.3	-64	174.8	0	0	0	109.6	K68 S132	K68-L130 HydrophobicContact CD-CG 4.43Å; L130-S132 PolarHBondContact O-N 2.94Å
131	A	87.8	Confident	93.2	Very high	64 Å²	64	59 Å²	59	53%	0.529	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	27.7	-176.3	0	0	0	0	0	114.7	Y133	A131-Y133 WeakPolarHBondContact O-CD2 3.5Å; A131-Y133 WeakPolarHBondContact O-CE2 3.46Å
132	S	92.4	Very high	93.1	Very high	17 Å²	17	59.7 Å²	59.7	12%	0.119	31%	0.31	C	S	.	.			trans	-78.6	142.6	168.9	-59	0	0	0	0	110.9	P129 L130 Q140 C141	P129-S132 WeakPolarHBondContact O-CB 3.49Å; P129-S132 PolarHBondContact O-N 2.84Å; P129-S132 PolarHBondContact O-OG 2.95Å; L130-S132 PolarHBondContact O-N 2.94Å; S132-Q140 WeakPolarHBondContact O-CA 3.32Å; S132-C141 PolarHBondContact O-N 2.97Å
133	Y	95.8	Very high	92.9	Very high	139 Å²	139	60.1 Å²	60.1	55%	0.545	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-120.7	140.9	179.5	-64.1	-92.7	0	0	0	111	A131 A135 K138 Q140 T158	A131-Y133 WeakPolarHBondContact O-CD2 3.5Å; A131-Y133 WeakPolarHBondContact O-CE2 3.46Å; Y133-A135 PolarHBondContact O-N 3.11Å; Y133-K138 WeakPolarHBondContact CD1-O 3.35Å; Y133-Q140 HydrophobicContact CD1-CB 4.44Å; Y133-Q140 HydrophobicContact CE1-CB 4.34Å; Y133-T158 PolarHBondContact O-OG1 2.92Å
134	C	96.2	Very high	92.7	Very high	1 Å²	1	61 Å²	61	1%	0.007	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-63.8	129	179	179.6	0	0	0	0	110.6	V136 C137 K138 Q139 C141 T158 H160	C134-V136 PolarHBondContact O-N 3.48Å; C134-V136 VanDerWaalsContact O-N 3.16Å; C134-C137 VanDerWaalsContact CB-SG 3.53Å; C134-C137 VanDerWaalsContact SG-SG 3.69Å; C134-K138 WeakPolarHBondContact O-CA 3.38Å; C134-K138 PolarHBondContact O-N 2.9Å; C134-Q139 WeakPolarHBondContact CB-O 3.25Å; C134-Q139 PolarHBondContact N-O 3.48Å; C134-C141 VanDerWaalsContact CA-SG 3.58Å; C134-C141 PolarHBondContact N-SG 2.68Å; C134-C141 VanDerWaalsContact N-SG 3.41Å; C134-T158 CarbonylContact C-O 3.52Å; C134-T158 WeakPolarHBondContact CA-O 3.42Å; C134-H160 VanDerWaalsContact CB-CE1 3.45Å; C134-H160 WeakPolarHBondContact CB-CE1 3.2Å; C134-H160 WeakPolarHBondContact CB-ND1 3.39Å; C134-H160 PolarHBondContact SG-N 2.78Å; C134-H160 PolarHBondContact SG-ND1 2.97Å
135	A	94.8	Very high	92.6	Very high	32 Å²	32	65.7 Å²	65.7	26%	0.264	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.9	179.4	0	0	0	0	0	113.2	Y133 K138 T157 T158 V159 L167	Y133-A135 PolarHBondContact O-N 3.11Å; A135-K138 WeakPolarHBondContact O-CE 3.43Å; A135-K138 PolarHBondContact O-NZ 2.86Å; A135-T157 HydrophobicContact CB-CG2 3.54Å; A135-T158 PolarHBondContact N-O 2.79Å; A135-V159 HydrophobicContact CB-CG2 4.35Å; A135-L167 HydrophobicContact CB-CD1 4.31Å
136	V	95.6	Very high	92.5	Very high	56 Å²	56	65.5 Å²	65.5	34%	0.339	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-64.6	-175.6	-177.2	0	0	0	0	111.4	C134 V159 C163 L167	C134-V136 PolarHBondContact O-N 3.48Å; C134-V136 VanDerWaalsContact O-N 3.16Å; V136-V159 HydrophobicContact CG2-CG1 4.22Å; V136-C163 HydrophobicContact CB-CB 3.97Å; V136-C163 HydrophobicContact CG1-CB 4.37Å; V136-C163 HydrophobicContact CG2-CB 4.18Å; V136-L167 HydrophobicContact CG2-CB 4.16Å; V136-L167 HydrophobicContact CG2-CD1 4.27Å
137	C	95.5	Very high	92.5	Very high	52 Å²	52	65.9 Å²	65.9	35%	0.351	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.9	-173.1	72.1	0	0	0	0	114.5	C134 Q139 H160	C134-C137 VanDerWaalsContact CB-SG 3.53Å; C134-C137 VanDerWaalsContact SG-SG 3.69Å; C137-Q139 PolarHBondContact O-N 3.3Å; C137-Q139 VanDerWaalsContact O-N 3.11Å; C137-H160 VanDerWaalsContact SG-CE1 3.55Å; C137-H160 PolarHBondContact SG-ND1 2.64Å
138	K	95.7	Very high	92.5	Very high	142 Å²	142	65 Å²	65	62%	0.617	36%	0.358	S	S	*	.			trans	59.9	13.8	-177.5	-49.6	-55.5	-173.1	-169.2	0	115.3	Y133 C134 A135	Y133-K138 WeakPolarHBondContact CD1-O 3.35Å; C134-K138 WeakPolarHBondContact O-CA 3.38Å; C134-K138 PolarHBondContact O-N 2.9Å; A135-K138 WeakPolarHBondContact O-CE 3.43Å; A135-K138 PolarHBondContact O-NZ 2.86Å
139	Q	96.1	Very high	92.7	Very high	131 Å²	131	64.7 Å²	64.7	61%	0.612	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-89.1	157.3	173.4	-60.3	-60.3	-40.6	0	0	111.5	C134 C137 H160	C134-Q139 WeakPolarHBondContact CB-O 3.25Å; C134-Q139 PolarHBondContact N-O 3.48Å; C137-Q139 PolarHBondContact O-N 3.3Å; C137-Q139 VanDerWaalsContact O-N 3.11Å; Q139-H160 PolarHBondContact O-CE1 3.09Å
140	Q	95.9	Very high	93	Very high	89 Å²	89	63.3 Å²	63.3	42%	0.416	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-63.7	134.2	-177.2	-170.2	179.5	-8.6	0	0	112.5	S132 Y133 T143 H160	S132-Q140 WeakPolarHBondContact O-CA 3.32Å; Y133-Q140 HydrophobicContact CD1-CB 4.44Å; Y133-Q140 HydrophobicContact CE1-CB 4.34Å; Q140-T143 HydrophobicContact CB-CG2 4Å; Q140-T143 HydrophobicContact CG-CG2 3.82Å; Q140-H160 PolarHBondContact O-NE2 2.83Å
141	C	94.6	Very high	93.5	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.02	32%	0.317	C	S	.	.	S	Bend	trans	-91.4	160.8	173.5	-65.5	0	0	0	0	111.9	V128 S132 C134 T143 D149	V128-C141 HydrophobicContact CG2-CB 4.08Å; S132-C141 PolarHBondContact O-N 2.97Å; C134-C141 VanDerWaalsContact CA-SG 3.58Å; C134-C141 PolarHBondContact N-SG 2.68Å; C134-C141 VanDerWaalsContact N-SG 3.41Å; C141-T143 VanDerWaalsContact C-N 3.3Å; C141-T143 PolarHBondContact O-N 3.14Å; C141-D149 HydrophobicContact CB-CB 4.32Å
142	G	90.4	Very high	93.8	Very high	40 Å²	40	54.9 Å²	54.9	41%	0.412	29%	0.292	S	S	.	.	S	Bend	trans	73	19.4	174.4	0	0	0	0	0	114.4	V128 D149	V128-G142 VanDerWaalsContact CG2-CA 3.47Å; G142-D149 PolarHBondContact N-OD2 2.99Å
143	T	89.1	Confident	93.9	Very high	88 Å²	88	54 Å²	54	54%	0.54	29%	0.286	S	S	.	.			trans	-83.3	-19.4	-177.2	54.8	0	0	0	0	113.2	Q140 C141	Q140-T143 HydrophobicContact CB-CG2 4Å; Q140-T143 HydrophobicContact CG-CG2 3.82Å; C141-T143 VanDerWaalsContact C-N 3.3Å; C141-T143 PolarHBondContact O-N 3.14Å
144	Q	89.1	Confident	93.8	Very high	79 Å²	79	48 Å²	48	37%	0.369	26%	0.262	S	S	.	.	S	Bend	trans	-82.1	144.4	-178.4	-50.9	-176	5.3	0	0	110.6	K146	Q144-K146 HydrophobicContact CB-CG 4.14Å; Q144-K146 PolarHBondContact O-N 3.3Å
145	P	90.9	Very high	93.8	Very high	113 Å²	113	48.5 Å²	48.5	73%	0.734	27%	0.266	S	S	*	.	S	Bend	trans	-78.4	48.2	-179.2	34.3	-37.5	0	0	0	112.3	Y71	Y71-P145 WeakPolarHBondContact CE1-O 3.26Å; Y71-P145 WeakPolarHBondContact OH-CA 3.38Å; Y71-P145 PolarHBondContact OH-O 3.31Å; Y71-P145 VanDerWaalsContact OH-O 3.07Å
146	K	92.3	Very high	93.8	Very high	114 Å²	114	49.2 Å²	49.2	50%	0.496	26%	0.263	S	S	.	.	S	Bend	trans	-154.2	171.8	177.6	63.1	173.1	174.7	177.5	0	110.6	Q144 C148	Q144-K146 HydrophobicContact CB-CG 4.14Å; Q144-K146 PolarHBondContact O-N 3.3Å; K146-C148 HydrophobicContact CG-CB 4.22Å; K146-C148 PolarHBondContact O-N 3.06Å
147	L	92.3	Very high	93.7	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.068	26%	0.259	C	S	.	.	S	Bend	trans	-72.7	89	170.6	-162.1	84	0	0	0	110.9	L76 R125	L76-L147 HydrophobicContact CD2-CB 4.21Å; L76-L147 HydrophobicContact CD2-CD2 3.44Å; L76-L147 VanDerWaalsContact CD2-CD2 3.44Å; L76-L147 HydrophobicContact CD2-CG 4.47Å; R125-L147 HydrophobicContact CG-CD2 4.43Å; R125-L147 HydrophobicContact CG-CG 4.45Å; R125-L147 PolarHBondContact NE-O 2.76Å; R125-L147 VanDerWaalsContact NE-O 3.17Å
148	C	92.4	Very high	93.8	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	25%	0.245	C	C	.	.			trans	-124.5	167.1	177	66.3	0	0	0	0	112.1	G126 K146 D161	G126-C148 WeakPolarHBondContact CA-O 3.39Å; K146-C148 HydrophobicContact CG-CB 4.22Å; K146-C148 PolarHBondContact O-N 3.06Å; C148-D161 WeakPolarHBondContact CA-OD2 3.44Å; C148-D161 WeakPolarHBondContact CB-OD2 3.43Å
149	D	95.4	Very high	93.8	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	22%	0.215	C	C	.	.			trans	66.8	164	178.3	-46.8	-31.8	0	0	0	112.6	R125 G126 V128 C141 G142 V159 H160 D161	R125-D149 CarbonylContact C-O 3.57Å; R125-D149 WeakPolarHBondContact CA-O 3.3Å; R125-D149 WeakPolarHBondContact CG-O 3.41Å; G126-D149 PolarHBondContact N-O 2.82Å; V128-D149 HydrophobicContact CG1-CB 4.42Å; C141-D149 HydrophobicContact CB-CB 4.32Å; G142-D149 PolarHBondContact N-OD2 2.99Å; D149-V159 WeakPolarHBondContact CA-O 3.45Å; D149-V159 WeakPolarHBondContact CB-O 3.24Å; D149-H160 VanDerWaalsContact OD1-CA 3.3Å; D149-H160 WeakPolarHBondContact OD1-CA 3.38Å; D149-H160 IonicContact OD1-CD2 3.36Å; D149-H160 PolarHBondContact OD1-CD2 2.87Å; D149-H160 VanDerWaalsContact OD1-CD2 3.29Å; D149-H160 IonicContact OD1-CG 3.11Å; D149-H160 IonicContact OD2-CD2 3.54Å; D149-H160 PolarHBondContact OD2-CD2 2.82Å; D149-D161 PolarHBondContact N-OD2 2.78Å; D149-D161 PolarHBondContact OD1-N 2.86Å
150	V	94.8	Very high	93.8	Very high	17 Å²	17	34.7 Å²	34.7	10%	0.103	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.7	-176.3	-65.3	0	0	0	0	110.9	W123 V124 R125 T158 V159 M164	W123-V150 HydrophobicContact CB-CB 4.35Å; W123-V150 HydrophobicContact CD2-CB 4.43Å; W123-V150 HydrophobicContact CD2-CG2 4.14Å; W123-V150 HydrophobicContact CE3-CB 3.86Å; W123-V150 HydrophobicContact CE3-CG2 3.6Å; W123-V150 HydrophobicContact CZ3-CG2 4.02Å; V124-V150 WeakPolarHBondContact O-CA 3.34Å; R125-V150 HydrophobicContact CB-CG1 4.33Å; R125-V150 HydrophobicContact CG-CG1 4.36Å; V150-T158 CarbonylContact O-C 3.54Å; V150-T158 VanDerWaalsContact O-CA 3.25Å; V150-T158 WeakPolarHBondContact O-CA 3.42Å; V150-V159 HydrophobicContact CG2-CB 4.01Å; V150-V159 WeakPolarHBondContact CG2-O 3.25Å; V150-V159 PolarHBondContact N-O 3.41Å; V150-V159 PolarHBondContact O-N 2.87Å; V150-M164 HydrophobicContact CG2-SD 3.97Å
151	R	95.5	Very high	93.7	Very high	21 Å²	21	32.5 Å²	32.5	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.6	172.2	-178.1	-174.6	63.3	164.2	-0.3	109.9	C88 W123 V124 V128 T157 T158	C88-R151 PolarHBondContact O-NH2 3.22Å; W123-R151 CarbonylContact C-O 3.53Å; W123-R151 WeakPolarHBondContact CA-O 3.16Å; W123-R151 VanDerWaalsContact CE3-C 3.48Å; V124-R151 PolarHBondContact N-O 2.91Å; V124-R151 PolarHBondContact O-N 3.06Å; V128-R151 HydrophobicContact CG1-CB 4.26Å; R151-T157 CarbonylContact C-O 3.59Å; R151-T157 WeakPolarHBondContact CA-O 3.36Å; R151-T158 HydrophobicContact CB-CG2 3.97Å; R151-T158 HydrophobicContact CG-CG2 3.95Å
152	C	94.9	Very high	93.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129	169.6	-172.7	0	0	0	0	110.7	H121 R122 W123 W154 C155 Q156 T157	H121-C152 PolarHBondContact ND1-SG 3.49Å; R122-C152 PolarHBondContact N-SG 3.07Å; R122-C152 CarbonylContact O-C 3.47Å; R122-C152 WeakPolarHBondContact O-CA 3.46Å; W123-C152 HydrophobicContact CD2-CB 4.45Å; W123-C152 HydrophobicContact CE3-CB 3.94Å; W123-C152 VanDerWaalsContact CE3-N 3.33Å; W123-C152 HydrophobicContact CH2-CB 4.08Å; W123-C152 HydrophobicContact CZ3-CB 3.76Å; C152-W154 PolarHBondContact O-N 3.14Å; C152-C155 WeakPolarHBondContact CB-SG 3.5Å; C152-Q156 WeakPolarHBondContact O-CA 3.13Å; C152-Q156 PolarHBondContact O-N 3.14Å; C152-T157 PolarHBondContact N-O 2.97Å
153	V	94.7	Very high	93.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.9	-178.2	-57.1	0	0	0	0	114.7	C88 K107 R122 V124 Q156	C88-V153 HydrophobicContact CB-CG1 3.97Å; K107-V153 VanDerWaalsContact CE-O 3.26Å; K107-V153 WeakPolarHBondContact CE-O 3.31Å; K107-V153 HydrophobicContact CG-CG2 4.23Å; K107-V153 PolarHBondContact NZ-O 2.97Å; R122-V153 HydrophobicContact CB-CG2 3.73Å; R122-V153 HydrophobicContact CG-CG2 3.59Å; R122-V153 PolarHBondContact O-N 3.27Å; V124-V153 HydrophobicContact CB-CG1 4.27Å; V124-V153 HydrophobicContact CG2-CG1 3.43Å; V124-V153 VanDerWaalsContact CG2-CG1 3.43Å; V153-Q156 PolarHBondContact O-NE2 3.13Å; V153-Q156 VanDerWaalsContact O-NE2 3.09Å
154	W	94.7	Very high	94	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.045	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-71.5	177.8	-66.3	113.7	0	0	0	110.3	K107 E108 C152 Q156 L175 I182 P185 N241	K107-W154 HydrophobicContact CD-CE3 4.47Å; K107-W154 HydrophobicContact CD-CH2 4.12Å; K107-W154 HydrophobicContact CD-CZ2 4.34Å; K107-W154 HydrophobicContact CD-CZ3 4.21Å; K107-W154 HydrophobicContact CG-CD2 4.41Å; K107-W154 HydrophobicContact CG-CE3 4.5Å; K107-W154 HydrophobicContact CG-CH2 3.55Å; K107-W154 HydrophobicContact CG-CZ2 3.42Å; K107-W154 VanDerWaalsContact CG-CZ2 3.42Å; K107-W154 HydrophobicContact CG-CZ3 4.12Å; E108-W154 VanDerWaalsContact O-CZ2 3.25Å; E108-W154 WeakPolarHBondContact O-CZ2 3.39Å; C152-W154 PolarHBondContact O-N 3.14Å; W154-Q156 VanDerWaalsContact C-N 3.25Å; W154-Q156 PolarHBondContact O-N 3.28Å; W154-Q156 PolarHBondContact O-NE2 2.71Å; W154-L175 HydrophobicContact CB-CD2 3.82Å; W154-L175 HydrophobicContact CD2-CD2 4.38Å; W154-L175 HydrophobicContact CE3-CD2 4.43Å; W154-L175 HydrophobicContact CG-CD2 4.12Å; W154-I182 HydrophobicContact CE3-CG2 4.31Å; W154-I182 HydrophobicContact CZ3-CG2 4.17Å; W154-P185 HydrophobicContact CH2-CG 3.41Å; W154-P185 VanDerWaalsContact CH2-CG 3.41Å; W154-P185 HydrophobicContact CZ2-CG 3.27Å; W154-P185 HydrophobicContact CZ3-CG 4.13Å; W154-N241 HydrophobicContact CH2-CB 4.18Å; W154-N241 HydrophobicContact CZ3-CB 3.97Å
155	C	94.4	Very high	94.1	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.081	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.9	-178.2	64	0	0	0	0	115.3	H121 C152 T157 C173 D174	H121-C155 PolarHBondContact CE1-SG 3.07Å; H121-C155 PolarHBondContact ND1-SG 3.42Å; H121-C155 VanDerWaalsContact ND1-SG 3.35Å; C152-C155 WeakPolarHBondContact CB-SG 3.5Å; C155-T157 PolarHBondContact O-N 3.18Å; C155-T157 PolarHBondContact SG-OG1 3.22Å; C155-C173 VanDerWaalsContact SG-SG 3.68Å; C155-D174 WeakPolarHBondContact CB-OD1 3.15Å
156	Q	94.8	Very high	93.9	Very high	47 Å²	47	38.4 Å²	38.4	22%	0.22	21%	0.211	C	C	.	.			trans	60.6	2.7	-177.4	-53	-56.6	-49.1	0	0	115.8	C152 V153 W154 T158 T238 L239	C152-Q156 WeakPolarHBondContact O-CA 3.13Å; C152-Q156 PolarHBondContact O-N 3.14Å; V153-Q156 PolarHBondContact O-NE2 3.13Å; V153-Q156 VanDerWaalsContact O-NE2 3.09Å; W154-Q156 VanDerWaalsContact C-N 3.25Å; W154-Q156 PolarHBondContact O-N 3.28Å; W154-Q156 PolarHBondContact O-NE2 2.71Å; Q156-T158 PolarHBondContact O-N 3.07Å; Q156-T238 PolarHBondContact NE2-O 3.39Å; Q156-T238 VanDerWaalsContact NE2-O 3.11Å; Q156-L239 HydrophobicContact CG-CD2 3.94Å
157	T	94.9	Very high	93.7	Very high	39 Å²	39	34.4 Å²	34.4	24%	0.239	20%	0.195	C	C	.	.			trans	-54.5	133	175.5	-52.4	0	0	0	0	110.8	W123 A135 R151 C152 C155 V159	W123-T157 HydrophobicContact CH2-CG2 4.44Å; W123-T157 WeakPolarHBondContact CZ3-O 3.48Å; A135-T157 HydrophobicContact CB-CG2 3.54Å; R151-T157 CarbonylContact C-O 3.59Å; R151-T157 WeakPolarHBondContact CA-O 3.36Å; C152-T157 PolarHBondContact N-O 2.97Å; C155-T157 PolarHBondContact O-N 3.18Å; C155-T157 PolarHBondContact SG-OG1 3.22Å; T157-V159 HydrophobicContact CG2-CG2 4.23Å
158	T	96	Very high	93	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.4	174.1	50.8	0	0	0	0	111.6	V128 Y133 C134 A135 V150 R151 Q156	V128-T158 HydrophobicContact CB-CG2 4.34Å; V128-T158 HydrophobicContact CG1-CG2 4.25Å; Y133-T158 PolarHBondContact O-OG1 2.92Å; C134-T158 CarbonylContact C-O 3.52Å; C134-T158 WeakPolarHBondContact CA-O 3.42Å; A135-T158 PolarHBondContact N-O 2.79Å; V150-T158 CarbonylContact O-C 3.54Å; V150-T158 VanDerWaalsContact O-CA 3.25Å; V150-T158 WeakPolarHBondContact O-CA 3.42Å; R151-T158 HydrophobicContact CB-CG2 3.97Å; R151-T158 HydrophobicContact CG-CG2 3.95Å; Q156-T158 PolarHBondContact O-N 3.07Å
159	V	96.3	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.3	-178.4	-168.2	0	0	0	0	109.1	W123 A135 V136 D149 V150 T157 C163 L167	W123-V159 HydrophobicContact CH2-CG2 3.81Å; W123-V159 HydrophobicContact CZ3-CG2 4.01Å; A135-V159 HydrophobicContact CB-CG2 4.35Å; V136-V159 HydrophobicContact CG2-CG1 4.22Å; D149-V159 WeakPolarHBondContact CA-O 3.45Å; D149-V159 WeakPolarHBondContact CB-O 3.24Å; V150-V159 HydrophobicContact CG2-CB 4.01Å; V150-V159 WeakPolarHBondContact CG2-O 3.25Å; V150-V159 PolarHBondContact N-O 3.41Å; V150-V159 PolarHBondContact O-N 2.87Å; T157-V159 HydrophobicContact CG2-CG2 4.23Å; V159-C163 HydrophobicContact CG1-CB 3.77Å; V159-L167 HydrophobicContact CG2-CD2 4.13Å
160	H	96.5	Very high	91.4	Very high	28 Å²	28	44.6 Å²	44.6	13%	0.13	27%	0.267	C	S	.	.			trans	-65.3	151.3	170.7	-64.4	118.8	0	0	0	111	C134 C137 Q139 Q140 D149 D162 C163 M164	C134-H160 VanDerWaalsContact CB-CE1 3.45Å; C134-H160 WeakPolarHBondContact CB-CE1 3.2Å; C134-H160 WeakPolarHBondContact CB-ND1 3.39Å; C134-H160 PolarHBondContact SG-N 2.78Å; C134-H160 PolarHBondContact SG-ND1 2.97Å; C137-H160 VanDerWaalsContact SG-CE1 3.55Å; C137-H160 PolarHBondContact SG-ND1 2.64Å; Q139-H160 PolarHBondContact O-CE1 3.09Å; Q140-H160 PolarHBondContact O-NE2 2.83Å; D149-H160 VanDerWaalsContact OD1-CA 3.3Å; D149-H160 WeakPolarHBondContact OD1-CA 3.38Å; D149-H160 IonicContact OD1-CD2 3.36Å; D149-H160 PolarHBondContact OD1-CD2 2.87Å; D149-H160 VanDerWaalsContact OD1-CD2 3.29Å; D149-H160 IonicContact OD1-CG 3.11Å; D149-H160 IonicContact OD2-CD2 3.54Å; D149-H160 PolarHBondContact OD2-CD2 2.82Å; H160-D162 PolarHBondContact O-N 2.82Å; H160-C163 HydrophobicContact CB-CB 4.01Å; H160-C163 PolarHBondContact O-N 3.31Å; H160-M164 PolarHBondContact O-N 3.04Å
161	D	93.7	Very high	90.7	Very high	42 Å²	42	49.6 Å²	49.6	23%	0.225	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-52.3	-44.8	175.7	-73.3	-51.7	0	0	0	112.1	R125 C148 D149 C163	R125-D161 IonicContact CZ-OD1 3.11Å; R125-D161 IonicContact CZ-OD2 2.7Å; R125-D161 IonicContact NE-OD1 3.49Å; R125-D161 IonicContact NH1-OD1 3.95Å; R125-D161 PolarHBondContact NH1-OD1 2.98Å; R125-D161 IonicContact NH1-OD2 3.06Å; R125-D161 IonicContact NH2-OD1 2.73Å; R125-D161 PolarHBondContact NH2-OD1 3.24Å; R125-D161 VanDerWaalsContact NH2-OD1 3.11Å; R125-D161 IonicContact NH2-OD2 3.82Å; R125-D161 PolarHBondContact NH2-OD2 2.86Å; C148-D161 WeakPolarHBondContact CA-OD2 3.44Å; C148-D161 WeakPolarHBondContact CB-OD2 3.43Å; D149-D161 PolarHBondContact N-OD2 2.78Å; D149-D161 PolarHBondContact OD1-N 2.86Å; D161-C163 VanDerWaalsContact C-N 3.28Å; D161-C163 PolarHBondContact O-N 3.15Å
162	D	94.1	Very high	90.4	Very high	154 Å²	154	51.2 Å²	51.2	82%	0.824	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-76.9	-13	-178.7	-56.2	-34.4	0	0	0	113.4	H160	H160-D162 PolarHBondContact O-N 2.82Å
163	C	94.8	Very high	90.3	Very high	23 Å²	23	51.8 Å²	51.8	16%	0.155	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-95.8	-5.1	-179.8	-71.9	0	0	0	0	113	V136 V159 H160 D161 D165 G166	V136-C163 HydrophobicContact CB-CB 3.97Å; V136-C163 HydrophobicContact CG1-CB 4.37Å; V136-C163 HydrophobicContact CG2-CB 4.18Å; V159-C163 HydrophobicContact CG1-CB 3.77Å; H160-C163 HydrophobicContact CB-CB 4.01Å; H160-C163 PolarHBondContact O-N 3.31Å; D161-C163 VanDerWaalsContact C-N 3.28Å; D161-C163 PolarHBondContact O-N 3.15Å; C163-D165 VanDerWaalsContact C-N 3.33Å; C163-D165 PolarHBondContact O-N 3.17Å; C163-G166 PolarHBondContact O-N 3.46Å
164	M	92	Very high	90.1	Very high	51 Å²	51	56.8 Å²	56.8	25%	0.251	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.4	-43	-171.9	-168.8	67.1	-161.2	0	0	112.7	W123 V150 H160 G166 L167	W123-M164 HydrophobicContact CD2-CE 4.31Å; W123-M164 HydrophobicContact CG-CE 4.5Å; W123-M164 HydrophobicContact CZ2-CE 4.04Å; V150-M164 HydrophobicContact CG2-SD 3.97Å; H160-M164 PolarHBondContact O-N 3.04Å; M164-G166 PolarHBondContact O-N 2.66Å; M164-L167 PolarHBondContact O-N 3.16Å
165	D	90.1	Very high	90.1	Very high	169 Å²	169	57 Å²	57	90%	0.904	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-70.8	-17.4	-179.6	-62.5	-29.3	0	0	0	113.1	C163	C163-D165 VanDerWaalsContact C-N 3.33Å; C163-D165 PolarHBondContact O-N 3.17Å
166	G	88.1	Confident	90	Very high	51 Å²	51	56.9 Å²	56.9	53%	0.526	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-90.2	0	178.4	0	0	0	0	0	114.3	C163 M164 A168	C163-G166 PolarHBondContact O-N 3.46Å; M164-G166 PolarHBondContact O-N 2.66Å; G166-A168 PolarHBondContact O-N 2.92Å
167	L	87.8	Confident	90	Very high	29 Å²	29	59.6 Å²	59.6	15%	0.152	35%	0.348	C	S	.	.			trans	-79.9	112.2	179.6	-178.7	65.3	0	0	0	110.1	W123 A135 V136 V159 M164 D169 A170	W123-L167 HydrophobicContact CH2-CD2 4.02Å; W123-L167 HydrophobicContact CZ2-CD2 3.81Å; A135-L167 HydrophobicContact CB-CD1 4.31Å; V136-L167 HydrophobicContact CG2-CB 4.16Å; V136-L167 HydrophobicContact CG2-CD1 4.27Å; V159-L167 HydrophobicContact CG2-CD2 4.13Å; M164-L167 PolarHBondContact O-N 3.16Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 3.17Å; L167-A170 HydrophobicContact CB-CB 4.07Å; L167-A170 HydrophobicContact CD2-CB 4.11Å; L167-A170 HydrophobicContact CG-CB 4.18Å; L167-A170 WeakPolarHBondContact O-CB 3.44Å; L167-A170 PolarHBondContact O-N 3.39Å
168	A	78.3	Confident	90.1	Very high	98 Å²	98	58.4 Å²	58.4	81%	0.81	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-39.7	-176.6	0	0	0	0	0	113.4	G166	G166-A168 PolarHBondContact O-N 2.92Å
169	D	77.4	Confident	90	Very high	105 Å²	105	61.8 Å²	61.8	56%	0.561	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	36.1	-178.7	-58	-51.6	0	0	0	112.1	H121 L167 E171 T172	H121-D169 PolarHBondContact CD2-O 2.89Å; H121-D169 PolarHBondContact NE2-O 2.94Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 3.17Å; D169-E171 PolarHBondContact O-N 2.86Å; D169-T172 PolarHBondContact O-N 3.11Å; D169-T172 VanDerWaalsContact O-N 3.15Å
170	A	76.1	Confident	90	Very high	30 Å²	30	62.3 Å²	62.3	25%	0.248	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.7	-173	0	0	0	0	0	115	H121 L167	H121-A170 PolarHBondContact CD2-O 2.99Å; L167-A170 HydrophobicContact CB-CB 4.07Å; L167-A170 HydrophobicContact CD2-CB 4.11Å; L167-A170 HydrophobicContact CG-CB 4.18Å; L167-A170 WeakPolarHBondContact O-CB 3.44Å; L167-A170 PolarHBondContact O-N 3.39Å
171	E	79.8	Confident	90.1	Very high	122 Å²	122	61 Å²	61	57%	0.57	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-17.6	-175.4	-62.8	-163	-175.1	0	0	114.7	R114 E120 D169	R114-E171 IonicContact CZ-OE2 3.95Å; R114-E171 IonicContact NH1-OE2 3.86Å; R114-E171 PolarHBondContact NH1-OE2 2.89Å; R114-E171 IonicContact NH2-OE2 3.11Å; R114-E171 PolarHBondContact NH2-OE2 2.74Å; E120-E171 WeakPolarHBondContact CA-O 3.26Å; D169-E171 PolarHBondContact O-N 2.86Å
172	T	89.5	Confident	90.2	Very high	55 Å²	55	59.1 Å²	59.1	34%	0.337	34%	0.342	S	S	.	.			trans	-121.9	110.3	-171.8	53.9	0	0	0	0	111.6	T119 H121 D169	T119-T172 CarbonylContact O-C 3.57Å; T119-T172 WeakPolarHBondContact O-CA 3.2Å; H121-T172 PolarHBondContact NE2-O 3.29Å; D169-T172 PolarHBondContact O-N 3.11Å; D169-T172 VanDerWaalsContact O-N 3.15Å
173	C	92.1	Very high	90.3	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.074	30%	0.303	C	S	.	.			trans	-85.9	127.7	177	-175	0	0	0	0	111.3	T119 H121 C155 L175	T119-C173 PolarHBondContact O-N 3.2Å; H121-C173 HydrophobicContact CB-CB 4.39Å; C155-C173 VanDerWaalsContact SG-SG 3.68Å; C173-L175 VanDerWaalsContact C-N 3.32Å; C173-L175 PolarHBondContact SG-N 3.46Å; C173-L175 VanDerWaalsContact SG-N 3.39Å
174	D	91.9	Very high	90.3	Very high	106 Å²	106	50.9 Å²	50.9	57%	0.567	30%	0.296	S	S	*	.			trans	-85.5	-0	175.2	64.2	-8.7	0	0	0	113.7	C155 G176 H179	C155-D174 WeakPolarHBondContact CB-OD1 3.15Å; D174-G176 PolarHBondContact O-N 2.77Å; D174-G176 WeakPolarHBondContact OD1-CA 3.41Å; D174-G176 PolarHBondContact OD1-N 2.81Å; D174-H179 VanDerWaalsContact O-CB 3.27Å; D174-H179 WeakPolarHBondContact O-CB 3.28Å
175	L	93.1	Very high	90.4	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.079	29%	0.286	C	S	.	.			trans	62.5	8	-171	-49.8	173.7	0	0	0	114.6	T119 W154 C173 H179 I182 P184	T119-L175 HydrophobicContact CG2-CD2 4.34Å; W154-L175 HydrophobicContact CB-CD2 3.82Å; W154-L175 HydrophobicContact CD2-CD2 4.38Å; W154-L175 HydrophobicContact CE3-CD2 4.43Å; W154-L175 HydrophobicContact CG-CD2 4.12Å; C173-L175 VanDerWaalsContact C-N 3.32Å; C173-L175 PolarHBondContact SG-N 3.46Å; C173-L175 VanDerWaalsContact SG-N 3.39Å; L175-H179 HydrophobicContact CB-CB 3.77Å; L175-I182 HydrophobicContact CB-CD1 4.24Å; L175-I182 HydrophobicContact CD1-CG2 4.48Å; L175-I182 WeakPolarHBondContact O-CD1 3.44Å; L175-P184 HydrophobicContact CD1-CB 4Å; L175-P184 HydrophobicContact CD1-CG 3.87Å
176	G	93.8	Very high	90.4	Very high	11 Å²	11	41.9 Å²	41.9	11%	0.113	25%	0.249	C	C	.	.			trans	70.3	-160.1	171.9	0	0	0	0	0	115.1	D174 F178 H179	D174-G176 PolarHBondContact O-N 2.77Å; D174-G176 WeakPolarHBondContact OD1-CA 3.41Å; D174-G176 PolarHBondContact OD1-N 2.81Å; G176-F178 VanDerWaalsContact C-N 3.29Å; G176-F178 PolarHBondContact O-N 3.34Å; G176-H179 WeakPolarHBondContact O-CB 3.25Å; G176-H179 PolarHBondContact O-N 3.4Å; G176-H179 VanDerWaalsContact O-N 3.15Å; G176-H179 PolarHBondContact O-ND1 2.89Å
177	E	94.4	Very high	90.7	Very high	104 Å²	104	39.5 Å²	39.5	49%	0.486	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-46.2	-174.9	-176.4	178.6	-176.1	0	0	112.6	H179 R333	E177-H179 VanDerWaalsContact C-N 3.33Å; E177-H179 PolarHBondContact O-N 2.8Å; E177-R333 IonicContact OE1-CZ 3.84Å; E177-R333 IonicContact OE1-NE 3.83Å; E177-R333 PolarHBondContact OE1-NE 3Å; E177-R333 IonicContact OE1-NH2 2.94Å; E177-R333 PolarHBondContact OE1-NH2 3.47Å; E177-R333 IonicContact OE2-CZ 3Å; E177-R333 IonicContact OE2-NE 3.76Å; E177-R333 IonicContact OE2-NH2 3.8Å; E177-R333 PolarHBondContact OE2-NH2 2.79Å
178	F	96.4	Very high	90.9	Very high	14 Å²	14	38.7 Å²	38.7	6%	0.061	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	20	-174.4	-52.8	-63.1	0	0	0	114.1	G176 S180 L181 I182 L239 E329 L332 R333 L336	G176-F178 VanDerWaalsContact C-N 3.29Å; G176-F178 PolarHBondContact O-N 3.34Å; F178-S180 PolarHBondContact O-N 3.3Å; F178-S180 VanDerWaalsContact O-N 3.1Å; F178-L181 HydrophobicContact CD1-CD1 4.21Å; F178-L181 PolarHBondContact O-N 3.28Å; F178-I182 HydrophobicContact CB-CD1 4.4Å; F178-I182 WeakPolarHBondContact O-CG1 3.27Å; F178-I182 PolarHBondContact O-N 2.88Å; F178-I182 VanDerWaalsContact O-N 3.13Å; F178-L239 HydrophobicContact CE2-CD1 4.27Å; F178-E329 HydrophobicContact CE2-CB 4.14Å; F178-E329 HydrophobicContact CE2-CG 4.06Å; F178-E329 HydrophobicContact CZ-CB 3.88Å; F178-E329 HydrophobicContact CZ-CG 4.32Å; F178-E329 WeakPolarHBondContact CZ-O 3.17Å; F178-L332 HydrophobicContact CD1-CB 3.72Å; F178-L332 HydrophobicContact CD1-CD1 4.11Å; F178-L332 HydrophobicContact CD2-CD1 4.01Å; F178-L332 HydrophobicContact CE1-CB 3.53Å; F178-L332 HydrophobicContact CE1-CD1 4.34Å; F178-L332 HydrophobicContact CE2-CD1 4.25Å; F178-L332 HydrophobicContact CG-CB 4.41Å; F178-L332 HydrophobicContact CG-CD1 3.95Å; F178-L332 HydrophobicContact CZ-CB 4.08Å; F178-L332 HydrophobicContact CZ-CD1 4.42Å; F178-R333 HydrophobicContact CE1-CG 4Å; F178-R333 HydrophobicContact CZ-CG 4.39Å; F178-L336 HydrophobicContact CD1-CD1 4.23Å
179	H	94.9	Very high	91.6	Very high	79 Å²	79	37.5 Å²	37.5	37%	0.366	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.1	-178.8	71.5	-75.7	0	0	0	113.7	D174 L175 G176 E177 L181 I182	D174-H179 VanDerWaalsContact O-CB 3.27Å; D174-H179 WeakPolarHBondContact O-CB 3.28Å; L175-H179 HydrophobicContact CB-CB 3.77Å; G176-H179 WeakPolarHBondContact O-CB 3.25Å; G176-H179 PolarHBondContact O-N 3.4Å; G176-H179 VanDerWaalsContact O-N 3.15Å; G176-H179 PolarHBondContact O-ND1 2.89Å; E177-H179 VanDerWaalsContact C-N 3.33Å; E177-H179 PolarHBondContact O-N 2.8Å; H179-L181 VanDerWaalsContact C-N 3.28Å; H179-L181 PolarHBondContact O-N 3.18Å; H179-I182 PolarHBondContact O-N 2.73Å
180	S	96	Very high	92.3	Very high	11 Å²	11	35.4 Å²	35.4	8%	0.077	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.1	178.5	56.8	0	0	0	0	113.3	F178 T214 L336	F178-S180 PolarHBondContact O-N 3.3Å; F178-S180 VanDerWaalsContact O-N 3.1Å; S180-T214 CarbonylContact O-C 3.59Å; S180-T214 VanDerWaalsContact O-C 3.25Å; S180-T214 PolarHBondContact O-N 3.17Å; S180-L336 WeakPolarHBondContact OG-CD2 3.48Å
181	L	97.4	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-22.1	179.2	-57.7	-174.6	0	0	0	113	F178 H179 T214 P215 V216 L240 Q244 L332 L336	F178-L181 HydrophobicContact CD1-CD1 4.21Å; F178-L181 PolarHBondContact O-N 3.28Å; H179-L181 VanDerWaalsContact C-N 3.28Å; H179-L181 PolarHBondContact O-N 3.18Å; L181-T214 WeakPolarHBondContact CD2-O 3.49Å; L181-P215 WeakPolarHBondContact O-CA 3.33Å; L181-V216 HydrophobicContact CB-CB 4.46Å; L181-V216 HydrophobicContact CB-CG1 3.91Å; L181-V216 HydrophobicContact CD1-CG1 4.37Å; L181-V216 HydrophobicContact CD2-CB 4.47Å; L181-V216 PolarHBondContact O-N 3.2Å; L181-V216 VanDerWaalsContact O-N 3.11Å; L181-L240 HydrophobicContact CB-CD2 4.3Å; L181-Q244 PolarHBondContact O-NE2 3.09Å; L181-L332 HydrophobicContact CD1-CB 3.91Å; L181-L332 HydrophobicContact CD1-CD2 3.93Å; L181-L332 HydrophobicContact CD1-CG 4.35Å; L181-L336 HydrophobicContact CD1-CD1 4.27Å; L181-L336 HydrophobicContact CD1-CD2 4.25Å; L181-L336 HydrophobicContact CD1-CG 4.01Å; L181-L336 HydrophobicContact CD2-CD2 3.52Å; L181-L336 HydrophobicContact CD2-CG 4.11Å; L181-L336 HydrophobicContact CG-CD1 4.48Å; L181-L336 HydrophobicContact CG-CD2 3.81Å; L181-L336 HydrophobicContact CG-CG 4.13Å
182	I	96.9	Very high	93.6	Very high	3 Å²	3	33 Å²	33	2%	0.015	17%	0.17	C	C	.	.	S	Bend	trans	-79	135.5	-176.7	-66.4	164.9	0	0	0	109.7	W154 L175 F178 H179 P184 W213 L240 N241	W154-I182 HydrophobicContact CE3-CG2 4.31Å; W154-I182 HydrophobicContact CZ3-CG2 4.17Å; L175-I182 HydrophobicContact CB-CD1 4.24Å; L175-I182 HydrophobicContact CD1-CG2 4.48Å; L175-I182 WeakPolarHBondContact O-CD1 3.44Å; F178-I182 HydrophobicContact CB-CD1 4.4Å; F178-I182 WeakPolarHBondContact O-CG1 3.27Å; F178-I182 PolarHBondContact O-N 2.88Å; F178-I182 VanDerWaalsContact O-N 3.13Å; H179-I182 PolarHBondContact O-N 2.73Å; I182-P184 WeakPolarHBondContact O-CD 3.31Å; I182-W213 PolarHBondContact O-NE1 3.11Å; I182-L240 HydrophobicContact CG1-CD2 3.91Å; I182-N241 HydrophobicContact CG2-CB 4.48Å
183	I	96.4	Very high	93.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.			trans	-80	109.7	164	-62.2	173.1	0	0	0	107.8	Y187 L188 W213 P215 N241 Q244 L259 L263	I183-Y187 HydrophobicContact CG2-CD1 4.07Å; I183-L188 HydrophobicContact CG2-CD1 3.79Å; I183-L188 HydrophobicContact CG2-CD2 4Å; I183-L188 HydrophobicContact CG2-CG 3.61Å; I183-W213 HydrophobicContact CG1-CZ2 4.5Å; I183-P215 HydrophobicContact CD1-CB 4.4Å; I183-P215 HydrophobicContact CG1-CB 3.75Å; I183-P215 HydrophobicContact CG1-CG 4.26Å; I183-N241 WeakPolarHBondContact O-CB 3.47Å; I183-N241 PolarHBondContact O-ND2 2.81Å; I183-Q244 HydrophobicContact CB-CG 4.13Å; I183-Q244 HydrophobicContact CD1-CG 3.49Å; I183-Q244 VanDerWaalsContact CD1-CG 3.49Å; I183-Q244 HydrophobicContact CG1-CG 3.75Å; I183-Q244 VanDerWaalsContact N-CD 3.32Å; I183-L259 HydrophobicContact CD1-CD2 3.89Å; I183-L259 HydrophobicContact CD1-CG 4.36Å; I183-L263 HydrophobicContact CD1-CD1 3.86Å; I183-L263 HydrophobicContact CD1-CD2 3.96Å; I183-L263 HydrophobicContact CD1-CG 4.46Å; I183-L263 HydrophobicContact CG1-CD2 4.14Å; I183-L263 HydrophobicContact CG2-CD2 4.5Å
184	P	94.1	Very high	93.5	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.026	19%	0.187	C	C	.	.			trans	-65.8	142.4	-176.5	-21.6	35.7	0	0	0	111.3	L175 I182 H186 Y187	L175-P184 HydrophobicContact CD1-CB 4Å; L175-P184 HydrophobicContact CD1-CG 3.87Å; I182-P184 WeakPolarHBondContact O-CD 3.31Å; P184-H186 WeakPolarHBondContact CB-CE1 3.42Å; P184-H186 WeakPolarHBondContact CB-ND1 3.24Å; P184-H186 PolarHBondContact O-N 3.18Å; P184-Y187 WeakPolarHBondContact O-CB 3Å; P184-Y187 PolarHBondContact O-N 3.32Å; P184-Y187 VanDerWaalsContact O-N 3.07Å
185	P	93.3	Very high	92.9	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.032	21%	0.205	C	C	.	.	H	α-helix	trans	-56.9	-33.3	177.4	-27.5	35.5	0	0	0	113.8	E108 M110 A111 W154 Y189	E108-P185 WeakPolarHBondContact O-CG 3.25Å; M110-P185 WeakPolarHBondContact CA-O 3.36Å; A111-P185 HydrophobicContact CB-CB 3.89Å; A111-P185 PolarHBondContact N-O 2.78Å; A111-P185 CarbonylContact O-C 3.59Å; W154-P185 HydrophobicContact CH2-CG 3.41Å; W154-P185 VanDerWaalsContact CH2-CG 3.41Å; W154-P185 HydrophobicContact CZ2-CG 3.27Å; W154-P185 HydrophobicContact CZ3-CG 4.13Å; P185-Y189 WeakPolarHBondContact O-CB 3.34Å; P185-Y189 PolarHBondContact O-N 2.78Å; P185-Y189 VanDerWaalsContact O-N 3.09Å
186	H	91.8	Very high	92.2	Very high	27 Å²	27	54.1 Å²	54.1	13%	0.125	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-35.2	178	70.6	-100.1	0	0	0	112.6	A111 T119 P184 Y189 L190	A111-H186 WeakPolarHBondContact O-CA 3.34Å; A111-H186 PolarHBondContact O-N 2.83Å; T119-H186 PolarHBondContact OG1-ND1 3.42Å; P184-H186 WeakPolarHBondContact CB-CE1 3.42Å; P184-H186 WeakPolarHBondContact CB-ND1 3.24Å; P184-H186 PolarHBondContact O-N 3.18Å; H186-Y189 PolarHBondContact O-N 3.33Å; H186-L190 VanDerWaalsContact O-CG 3.3Å; H186-L190 WeakPolarHBondContact O-CG 3.5Å; H186-L190 PolarHBondContact O-N 3.05Å
187	Y	93.3	Very high	91.6	Very high	1 Å²	1	61 Å²	61	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-50.2	176.8	175	-89	0	0	0	110.4	I183 P184 Y189 L190 V191 L205 W213 L262 L263	I183-Y187 HydrophobicContact CG2-CD1 4.07Å; P184-Y187 WeakPolarHBondContact O-CB 3Å; P184-Y187 PolarHBondContact O-N 3.32Å; P184-Y187 VanDerWaalsContact O-N 3.07Å; Y187-Y189 VanDerWaalsContact C-N 3.33Å; Y187-Y189 PolarHBondContact O-N 3.26Å; Y187-L190 PolarHBondContact O-N 3.45Å; Y187-V191 HydrophobicContact CD1-CG2 4.07Å; Y187-V191 HydrophobicContact CE1-CG2 3.54Å; Y187-V191 HydrophobicContact CE2-CG2 4.36Å; Y187-V191 WeakPolarHBondContact O-CG2 3.18Å; Y187-V191 PolarHBondContact O-N 3.28Å; Y187-L205 HydrophobicContact CD2-CB 4.1Å; Y187-L205 HydrophobicContact CE2-CB 3.68Å; Y187-W213 AromaticContact CD1-CH2 3.93Å; Y187-W213 HydrophobicContact CD1-CH2 3.93Å; Y187-W213 AromaticContact CD2-CH2 3.61Å; Y187-W213 HydrophobicContact CD2-CH2 3.61Å; Y187-W213 AromaticContact CD2-CZ3 3.96Å; Y187-W213 HydrophobicContact CD2-CZ3 3.96Å; Y187-W213 HydrophobicContact CE1-CH2 4Å; Y187-W213 AromaticContact CE2-CH2 3.66Å; Y187-W213 HydrophobicContact CE2-CH2 3.66Å; Y187-W213 AromaticContact CE2-CZ3 3.75Å; Y187-W213 HydrophobicContact CE2-CZ3 3.75Å; Y187-W213 AromaticContact CG-CH2 3.76Å; Y187-W213 HydrophobicContact CG-CH2 3.76Å; Y187-W213 HydrophobicContact CG-CZ2 4.41Å; Y187-W213 AromaticContact CZ-CH2 3.88Å; Y187-L262 WeakPolarHBondContact CE1-O 3.29Å; Y187-L262 PolarHBondContact OH-O 3.37Å; Y187-L263 HydrophobicContact CD1-CD2 4.31Å; Y187-L263 HydrophobicContact CE1-CD2 3.64Å; Y187-L263 WeakPolarHBondContact OH-CA 2.98Å
188	L	92.6	Very high	91.1	Very high	12 Å²	12	61 Å²	61	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-34.7	179.5	-68.3	176.9	0	0	0	112.7	I109 M110 I183 L190 V191 N192 V243 L259	I109-L188 HydrophobicContact CG2-CD1 4.2Å; M110-L188 HydrophobicContact CG-CB 3.7Å; M110-L188 HydrophobicContact CG-CD1 4.48Å; M110-L188 HydrophobicContact SD-CB 4.22Å; I183-L188 HydrophobicContact CG2-CD1 3.79Å; I183-L188 HydrophobicContact CG2-CD2 4Å; I183-L188 HydrophobicContact CG2-CG 3.61Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 3.11Å; L188-V191 PolarHBondContact O-N 2.85Å; L188-N192 WeakPolarHBondContact O-CB 3.38Å; L188-N192 PolarHBondContact O-N 3.15Å; L188-V243 HydrophobicContact CD1-CB 4.47Å; L188-V243 HydrophobicContact CD1-CG1 3.66Å; L188-V243 HydrophobicContact CD1-CG2 4.43Å; L188-L259 HydrophobicContact CD2-CD1 4.49Å
189	Y	92.8	Very high	90.5	Very high	72 Å²	72	61.4 Å²	61.4	28%	0.282	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-43.4	173	-178.8	-96.9	0	0	0	112	P112 P185 H186 Y187 N192 K193	P112-Y189 HydrophobicContact CB-CD1 4.15Å; P112-Y189 HydrophobicContact CB-CE1 3.79Å; P112-Y189 HydrophobicContact CB-CE2 4.39Å; P185-Y189 WeakPolarHBondContact O-CB 3.34Å; P185-Y189 PolarHBondContact O-N 2.78Å; P185-Y189 VanDerWaalsContact O-N 3.09Å; H186-Y189 PolarHBondContact O-N 3.33Å; Y187-Y189 VanDerWaalsContact C-N 3.33Å; Y187-Y189 PolarHBondContact O-N 3.26Å; Y189-N192 PolarHBondContact O-N 3.15Å; Y189-K193 HydrophobicContact CD1-CD 4.46Å; Y189-K193 HydrophobicContact CE1-CD 3.91Å; Y189-K193 VanDerWaalsContact CE1-NZ 3.3Å; Y189-K193 VanDerWaalsContact CZ-NZ 3.3Å; Y189-K193 PolarHBondContact O-N 3.32Å; Y189-K193 WeakPolarHBondContact OH-CE 3.19Å; Y189-K193 PolarHBondContact OH-NZ 3.5Å
190	L	91.7	Very high	90.2	Very high	62 Å²	62	62.8 Å²	62.8	33%	0.325	28%	0.276	S	S	.	.	H	α-helix	trans	-67.5	-44.8	176.4	-67.9	172.9	0	0	0	111.7	H186 Y187 L188 N192 K193 L194 L205	H186-L190 VanDerWaalsContact O-CG 3.3Å; H186-L190 WeakPolarHBondContact O-CG 3.5Å; H186-L190 PolarHBondContact O-N 3.05Å; Y187-L190 PolarHBondContact O-N 3.45Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 3.11Å; L190-N192 VanDerWaalsContact C-N 3.27Å; L190-N192 PolarHBondContact O-N 2.89Å; L190-K193 PolarHBondContact O-N 3.18Å; L190-L194 PolarHBondContact O-N 3.18Å; L190-L205 HydrophobicContact CB-CD1 4.17Å; L190-L205 HydrophobicContact CB-CD2 3.98Å; L190-L205 HydrophobicContact CD1-CD2 3.88Å
191	V	92.1	Very high	89.9	Confident	5 Å²	5	66 Å²	66	3%	0.03	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-42.2	174.8	167.1	0	0	0	0	111.4	Y187 L188 K193 L194 F202 L205 L262	Y187-V191 HydrophobicContact CD1-CG2 4.07Å; Y187-V191 HydrophobicContact CE1-CG2 3.54Å; Y187-V191 HydrophobicContact CE2-CG2 4.36Å; Y187-V191 WeakPolarHBondContact O-CG2 3.18Å; Y187-V191 PolarHBondContact O-N 3.28Å; L188-V191 PolarHBondContact O-N 2.85Å; V191-K193 PolarHBondContact O-N 2.93Å; V191-L194 WeakPolarHBondContact O-CB 3.4Å; V191-L194 PolarHBondContact O-N 2.51Å; V191-F202 HydrophobicContact CG1-CE1 4.01Å; V191-F202 HydrophobicContact CG2-CD1 4.17Å; V191-F202 HydrophobicContact CG2-CE1 4.25Å; V191-L205 HydrophobicContact CG2-CD1 3.84Å; V191-L262 HydrophobicContact CG1-CB 4.41Å; V191-L262 HydrophobicContact CG1-CD2 4.43Å
192	N	91.2	Very high	89.5	Confident	96 Å²	96	66.3 Å²	66.3	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-25.5	178.3	-171.4	54	0	0	0	113	M110 L188 Y189 L190	M110-N192 HydrophobicContact SD-CB 4.36Å; L188-N192 WeakPolarHBondContact O-CB 3.38Å; L188-N192 PolarHBondContact O-N 3.15Å; Y189-N192 PolarHBondContact O-N 3.15Å; L190-N192 VanDerWaalsContact C-N 3.27Å; L190-N192 PolarHBondContact O-N 2.89Å
193	K	90	Very high	89.2	Confident	128 Å²	128	69.7 Å²	69.7	56%	0.557	31%	0.312	S	S	*	.	H	α-helix	trans	-86.9	-9.8	176.1	-74.6	-171	173.7	-177.8	0	114.3	Y189 L190 V191 R195	Y189-K193 HydrophobicContact CD1-CD 4.46Å; Y189-K193 HydrophobicContact CE1-CD 3.91Å; Y189-K193 VanDerWaalsContact CE1-NZ 3.3Å; Y189-K193 VanDerWaalsContact CZ-NZ 3.3Å; Y189-K193 PolarHBondContact O-N 3.32Å; Y189-K193 WeakPolarHBondContact OH-CE 3.19Å; Y189-K193 PolarHBondContact OH-NZ 3.5Å; L190-K193 PolarHBondContact O-N 3.18Å; V191-K193 PolarHBondContact O-N 2.93Å; K193-R195 PolarHBondContact O-N 3.06Å
194	L	89	Confident	88.9	Confident	38 Å²	38	77.1 Å²	77.1	20%	0.199	35%	0.345	C	S	.	.			trans	-63.1	126.9	179.2	-71.6	177.3	0	0	0	110.8	L190 V191 R196 E201 F202 L205	L190-L194 PolarHBondContact O-N 3.18Å; V191-L194 WeakPolarHBondContact O-CB 3.4Å; V191-L194 PolarHBondContact O-N 2.51Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-E201 HydrophobicContact CD1-CB 4.05Å; L194-E201 HydrophobicContact CD2-CB 4.41Å; L194-F202 HydrophobicContact CD1-CD1 4.23Å; L194-F202 HydrophobicContact CD1-CE1 3.93Å; L194-L205 HydrophobicContact CD1-CD1 3.8Å; L194-L205 HydrophobicContact CD2-CD1 4.32Å; L194-L205 HydrophobicContact CG-CD1 4.22Å
195	R	78.8	Confident	88.7	Confident	252 Å²	252	78.2 Å²	78.2	95%	0.951	35%	0.35	S	S	*	.	S	Bend	trans	-71.2	-30.3	173.9	-69.1	-176.4	176.3	-177.2	-0.9	112.4	K193	K193-R195 PolarHBondContact O-N 3.06Å
196	R	78.9	Confident	88.4	Confident	213 Å²	213	78.2 Å²	78.2	80%	0.804	35%	0.351	S	S	*	.	S	Bend	trans	-132	133.1	179.2	-66.5	-177.8	178.8	169.8	-1	108.7	L194	L194-R196 VanDerWaalsContact C-N 3.33Å
197	R	82.3	Confident	88.2	Confident	154 Å²	154	80.4 Å²	80.4	58%	0.581	37%	0.374	S	S	*	.			trans	-103	73.5	-178	-67.4	-177.7	-175.1	-174.9	0.1	108.9	F202	R197-F202 HydrophobicContact CB-CZ 3.85Å; R197-F202 HydrophobicContact CG-CZ 4.28Å
198	H	83.7	Confident	87.9	Confident	104 Å²	104	84.3 Å²	84.3	48%	0.481	40%	0.401	S	S	.	.			trans	-100	145.5	176.7	-159.8	-102.9	0	0	0	109.9	D200 E201	H198-D200 IonicContact CE1-OD2 3.62Å; H198-D200 PolarHBondContact CE1-OD2 2.89Å; H198-D200 IonicContact ND1-OD2 2.7Å; H198-D200 PolarHBondContact ND1-OD2 3.28Å; H198-D200 PolarHBondContact O-N 3.35Å; H198-D200 VanDerWaalsContact O-N 3.16Å; H198-E201 HydrophobicContact CB-CG 4.48Å; H198-E201 WeakPolarHBondContact O-CB 3.42Å; H198-E201 PolarHBondContact O-N 3.46Å
199	P	84.1	Confident	87.6	Confident	24 Å²	24	85 Å²	85	16%	0.156	41%	0.406	C	S	.	.	H	α-helix	trans	-50.3	-39.2	179.1	-29.1	35.1	0	0	0	114.6	E201 F202 T203 P265 F297	P199-E201 VanDerWaalsContact C-N 3.28Å; P199-E201 PolarHBondContact O-N 3.31Å; P199-F202 WeakPolarHBondContact O-CB 3.33Å; P199-F202 PolarHBondContact O-N 3.22Å; P199-F202 VanDerWaalsContact O-N 3.13Å; P199-T203 PolarHBondContact O-N 3.4Å; P199-T203 PolarHBondContact O-OG1 3.11Å; P199-P265 HydrophobicContact CB-CG 4.22Å; P199-F297 HydrophobicContact CB-CZ 4.3Å; P199-F297 HydrophobicContact CG-CZ 4.04Å
200	D	87.3	Confident	87.3	Confident	108 Å²	108	83 Å²	83	58%	0.578	41%	0.408	S	S	*	.	H	α-helix	trans	-63.5	-33.2	-179.2	-54.3	-41.7	0	0	0	113.2	H198 F202 T203 K204	H198-D200 IonicContact CE1-OD2 3.62Å; H198-D200 PolarHBondContact CE1-OD2 2.89Å; H198-D200 IonicContact ND1-OD2 2.7Å; H198-D200 PolarHBondContact ND1-OD2 3.28Å; H198-D200 PolarHBondContact O-N 3.35Å; H198-D200 VanDerWaalsContact O-N 3.16Å; D200-F202 VanDerWaalsContact C-N 3.35Å; D200-T203 PolarHBondContact O-N 3.47Å; D200-K204 WeakPolarHBondContact O-CB 3.4Å; D200-K204 PolarHBondContact O-N 3.11Å
201	E	89.6	Confident	87	Confident	79 Å²	79	85 Å²	85	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-68	-38.6	176.6	-65.1	-68.5	166.3	0	0	110.5	L194 H198 P199 K204 L205	L194-E201 HydrophobicContact CD1-CB 4.05Å; L194-E201 HydrophobicContact CD2-CB 4.41Å; H198-E201 HydrophobicContact CB-CG 4.48Å; H198-E201 WeakPolarHBondContact O-CB 3.42Å; H198-E201 PolarHBondContact O-N 3.46Å; P199-E201 VanDerWaalsContact C-N 3.28Å; P199-E201 PolarHBondContact O-N 3.31Å; E201-K204 PolarHBondContact O-N 3.49Å; E201-L205 WeakPolarHBondContact O-CB 3.49Å; E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 2.87Å
202	F	90.9	Very high	86.8	Confident	5 Å²	5	88.3 Å²	88.3	2%	0.022	45%	0.451	C	S	.	.	H	α-helix	trans	-66.6	-41.9	175.2	-56.5	-48.2	0	0	0	111.4	V191 L194 R197 P199 D200 K204 L205 G206 T261 L262 F297	V191-F202 HydrophobicContact CG1-CE1 4.01Å; V191-F202 HydrophobicContact CG2-CD1 4.17Å; V191-F202 HydrophobicContact CG2-CE1 4.25Å; L194-F202 HydrophobicContact CD1-CD1 4.23Å; L194-F202 HydrophobicContact CD1-CE1 3.93Å; R197-F202 HydrophobicContact CB-CZ 3.85Å; R197-F202 HydrophobicContact CG-CZ 4.28Å; P199-F202 WeakPolarHBondContact O-CB 3.33Å; P199-F202 PolarHBondContact O-N 3.22Å; P199-F202 VanDerWaalsContact O-N 3.13Å; D200-F202 VanDerWaalsContact C-N 3.35Å; F202-K204 VanDerWaalsContact C-N 3.33Å; F202-K204 PolarHBondContact O-N 3.03Å; F202-L205 PolarHBondContact O-N 2.85Å; F202-G206 PolarHBondContact O-N 2.7Å; F202-T261 VanDerWaalsContact CE2-O 3.23Å; F202-T261 WeakPolarHBondContact CE2-O 3.39Å; F202-L262 HydrophobicContact CZ-CD2 4.3Å; F202-F297 HydrophobicContact CD2-CE1 4.49Å
203	T	89.4	Confident	86.9	Confident	75 Å²	75	84 Å²	84	46%	0.46	43%	0.427	S	S	.	.	H	α-helix	trans	-60.5	-43.6	174.8	-56.9	0	0	0	0	111.6	P199 D200 G206 A207	P199-T203 PolarHBondContact O-N 3.4Å; P199-T203 PolarHBondContact O-OG1 3.11Å; D200-T203 PolarHBondContact O-N 3.47Å; T203-G206 PolarHBondContact O-N 3.33Å; T203-A207 PolarHBondContact O-N 3.31Å
204	K	90.2	Very high	87.2	Confident	156 Å²	156	79 Å²	79	68%	0.678	41%	0.407	S	S	*	.	H	α-helix	trans	-64.7	-43.2	177.8	-174.4	179.7	178.4	-177.3	0	112.4	D200 E201 F202 A207	D200-K204 WeakPolarHBondContact O-CB 3.4Å; D200-K204 PolarHBondContact O-N 3.11Å; E201-K204 PolarHBondContact O-N 3.49Å; F202-K204 VanDerWaalsContact C-N 3.33Å; F202-K204 PolarHBondContact O-N 3.03Å; K204-A207 WeakPolarHBondContact O-CB 3.46Å; K204-A207 PolarHBondContact O-N 3.14Å
205	L	89.6	Confident	87.6	Confident	26 Å²	26	77.1 Å²	77.1	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-67.2	-37.1	174.2	-71.8	178.2	0	0	0	112	Y187 L190 V191 L194 E201 F202 A207 S208	Y187-L205 HydrophobicContact CD2-CB 4.1Å; Y187-L205 HydrophobicContact CE2-CB 3.68Å; L190-L205 HydrophobicContact CB-CD1 4.17Å; L190-L205 HydrophobicContact CB-CD2 3.98Å; L190-L205 HydrophobicContact CD1-CD2 3.88Å; V191-L205 HydrophobicContact CG2-CD1 3.84Å; L194-L205 HydrophobicContact CD1-CD1 3.8Å; L194-L205 HydrophobicContact CD2-CD1 4.32Å; L194-L205 HydrophobicContact CG-CD1 4.22Å; E201-L205 WeakPolarHBondContact O-CB 3.49Å; E201-L205 WeakPolarHBondContact O-CG 3.39Å; E201-L205 PolarHBondContact O-N 2.87Å; F202-L205 PolarHBondContact O-N 2.85Å; L205-A207 VanDerWaalsContact C-N 3.28Å; L205-A207 PolarHBondContact O-N 3.12Å; L205-S208 PolarHBondContact O-N 3.15Å; L205-S208 PolarHBondContact O-OG 3.19Å
206	G	88.1	Confident	88.5	Confident	6 Å²	6	65.1 Å²	65.1	6%	0.062	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-31	177.1	0	0	0	0	0	112.8	F202 T203 S208 C209	F202-G206 PolarHBondContact O-N 2.7Å; T203-G206 PolarHBondContact O-N 3.33Å; G206-S208 PolarHBondContact O-N 3.46Å; G206-C209 WeakPolarHBondContact O-CB 3.09Å; G206-C209 PolarHBondContact O-N 3.18Å
207	A	87.8	Confident	89.4	Confident	72 Å²	72	55 Å²	55	60%	0.595	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-30.4	176.7	0	0	0	0	0	112.9	T203 K204 L205 C209 G210	T203-A207 PolarHBondContact O-N 3.31Å; K204-A207 WeakPolarHBondContact O-CB 3.46Å; K204-A207 PolarHBondContact O-N 3.14Å; L205-A207 VanDerWaalsContact C-N 3.28Å; L205-A207 PolarHBondContact O-N 3.12Å; A207-C209 PolarHBondContact O-N 3.1Å; A207-G210 PolarHBondContact O-N 3.24Å
208	S	85.9	Confident	90.2	Very high	84 Å²	84	47.7 Å²	47.7	59%	0.587	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.7	174.5	59.1	0	0	0	0	113.7	L205 G206 G210	L205-S208 PolarHBondContact O-N 3.15Å; L205-S208 PolarHBondContact O-OG 3.19Å; G206-S208 PolarHBondContact O-N 3.46Å; S208-G210 VanDerWaalsContact C-N 3.32Å
209	C	86.6	Confident	90.8	Very high	25 Å²	25	42.7 Å²	42.7	17%	0.169	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2	175.9	-57.8	0	0	0	0	112.9	G206 A207 W213	G206-C209 WeakPolarHBondContact O-CB 3.09Å; G206-C209 PolarHBondContact O-N 3.18Å; A207-C209 PolarHBondContact O-N 3.1Å; C209-W213 HydrophobicContact CB-CB 4.14Å; C209-W213 HydrophobicContact CB-CD2 3.45Å; C209-W213 VanDerWaalsContact CB-CD2 3.45Å; C209-W213 HydrophobicContact CB-CE3 3.61Å; C209-W213 HydrophobicContact CB-CG 3.71Å; C209-W213 HydrophobicContact CB-CZ2 4.49Å; C209-W213 HydrophobicContact CB-CZ3 4.19Å
210	G	86.4	Confident	91.3	Very high	31 Å²	31	41.6 Å²	41.6	32%	0.32	26%	0.256	S	S	.	.			trans	102.1	154.1	178	0	0	0	0	0	113.9	A207 S208 S212 W213	A207-G210 PolarHBondContact O-N 3.24Å; S208-G210 VanDerWaalsContact C-N 3.32Å; G210-S212 VanDerWaalsContact C-N 3.28Å; G210-S212 PolarHBondContact O-N 2.92Å; G210-W213 WeakPolarHBondContact O-CB 3.48Å; G210-W213 PolarHBondContact O-N 3.37Å
211	S	84.5	Confident	91.4	Very high	105 Å²	105	37.6 Å²	37.6	73%	0.734	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-21	-176.8	54.7	0	0	0	0	114.1	R267	S211-R267 PolarHBondContact O-NH1 3.15Å
212	S	88	Confident	90.9	Very high	73 Å²	73	34.8 Å²	34.8	51%	0.51	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.3	176.4	51.4	0	0	0	0	113.2	G210 T214	G210-S212 VanDerWaalsContact C-N 3.28Å; G210-S212 PolarHBondContact O-N 2.92Å; S212-T214 PolarHBondContact O-N 3.28Å
213	W	94.6	Very high	90	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.019	26%	0.259	C	S	.	.			trans	-68.7	117.8	-178.3	-171.3	54.2	0	0	0	111.3	I182 I183 Y187 C209 G210 P215 L263 P264	I182-W213 PolarHBondContact O-NE1 3.11Å; I183-W213 HydrophobicContact CG1-CZ2 4.5Å; Y187-W213 AromaticContact CD1-CH2 3.93Å; Y187-W213 HydrophobicContact CD1-CH2 3.93Å; Y187-W213 AromaticContact CD2-CH2 3.61Å; Y187-W213 HydrophobicContact CD2-CH2 3.61Å; Y187-W213 AromaticContact CD2-CZ3 3.96Å; Y187-W213 HydrophobicContact CD2-CZ3 3.96Å; Y187-W213 HydrophobicContact CE1-CH2 4Å; Y187-W213 AromaticContact CE2-CH2 3.66Å; Y187-W213 HydrophobicContact CE2-CH2 3.66Å; Y187-W213 AromaticContact CE2-CZ3 3.75Å; Y187-W213 HydrophobicContact CE2-CZ3 3.75Å; Y187-W213 AromaticContact CG-CH2 3.76Å; Y187-W213 HydrophobicContact CG-CH2 3.76Å; Y187-W213 HydrophobicContact CG-CZ2 4.41Å; Y187-W213 AromaticContact CZ-CH2 3.88Å; C209-W213 HydrophobicContact CB-CB 4.14Å; C209-W213 HydrophobicContact CB-CD2 3.45Å; C209-W213 VanDerWaalsContact CB-CD2 3.45Å; C209-W213 HydrophobicContact CB-CE3 3.61Å; C209-W213 HydrophobicContact CB-CG 3.71Å; C209-W213 HydrophobicContact CB-CZ2 4.49Å; C209-W213 HydrophobicContact CB-CZ3 4.19Å; G210-W213 WeakPolarHBondContact O-CB 3.48Å; G210-W213 PolarHBondContact O-N 3.37Å; W213-P215 HydrophobicContact CD2-CG 3.85Å; W213-P215 HydrophobicContact CE3-CG 4.33Å; W213-P215 HydrophobicContact CG-CG 4.42Å; W213-P215 HydrophobicContact CH2-CG 3.96Å; W213-P215 HydrophobicContact CZ2-CG 3.42Å; W213-P215 VanDerWaalsContact CZ2-CG 3.42Å; W213-P215 HydrophobicContact CZ3-CG 4.39Å; W213-L263 HydrophobicContact CH2-CD2 3.91Å; W213-L263 HydrophobicContact CZ2-CD2 4.44Å; W213-P264 HydrophobicContact CE3-CG 4.15Å; W213-P264 HydrophobicContact CZ3-CG 3.63Å
214	T	95.3	Very high	88.8	Confident	23 Å²	23	41.9 Å²	41.9	14%	0.141	25%	0.245	C	C	.	.			trans	-137.9	80.7	-179.2	53.3	0	0	0	0	109.5	S180 L181 S212 V216 R267 Q269	S180-T214 CarbonylContact O-C 3.59Å; S180-T214 VanDerWaalsContact O-C 3.25Å; S180-T214 PolarHBondContact O-N 3.17Å; L181-T214 WeakPolarHBondContact CD2-O 3.49Å; S212-T214 PolarHBondContact O-N 3.28Å; T214-V216 PolarHBondContact O-N 3.05Å; T214-R267 VanDerWaalsContact CA-O 3.31Å; T214-R267 WeakPolarHBondContact CA-O 3.34Å; T214-Q269 PolarHBondContact O-OE1 3.39Å
215	P	97	Very high	87.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.223	C	C	.	.			trans	-57.6	138	-176	-27.4	35.8	0	0	0	113.3	L181 I183 W213 L263 Q269	L181-P215 WeakPolarHBondContact O-CA 3.33Å; I183-P215 HydrophobicContact CD1-CB 4.4Å; I183-P215 HydrophobicContact CG1-CB 3.75Å; I183-P215 HydrophobicContact CG1-CG 4.26Å; W213-P215 HydrophobicContact CD2-CG 3.85Å; W213-P215 HydrophobicContact CE3-CG 4.33Å; W213-P215 HydrophobicContact CG-CG 4.42Å; W213-P215 HydrophobicContact CH2-CG 3.96Å; W213-P215 HydrophobicContact CZ2-CG 3.42Å; W213-P215 VanDerWaalsContact CZ2-CG 3.42Å; W213-P215 HydrophobicContact CZ3-CG 4.39Å; P215-L263 HydrophobicContact CB-CD1 4.3Å; P215-L263 HydrophobicContact CG-CD2 4.39Å; P215-Q269 PolarHBondContact O-N 3.1Å
216	V	98	Very high	86.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.8	174.1	73.2	0	0	0	0	111.3	L181 T214 L240 Q244 Q269 L271 L332 V335	L181-V216 HydrophobicContact CB-CB 4.46Å; L181-V216 HydrophobicContact CB-CG1 3.91Å; L181-V216 HydrophobicContact CD1-CG1 4.37Å; L181-V216 HydrophobicContact CD2-CB 4.47Å; L181-V216 PolarHBondContact O-N 3.2Å; L181-V216 VanDerWaalsContact O-N 3.11Å; T214-V216 PolarHBondContact O-N 3.05Å; V216-L240 HydrophobicContact CG1-CD1 3.62Å; V216-L240 HydrophobicContact CG1-CD2 4.05Å; V216-Q244 WeakPolarHBondContact O-CB 3.34Å; V216-Q244 PolarHBondContact O-NE2 3.47Å; V216-Q269 CarbonylContact C-O 3.52Å; V216-Q269 WeakPolarHBondContact CA-O 3.29Å; V216-Q269 HydrophobicContact CG2-CB 4.3Å; V216-L271 HydrophobicContact CG2-CB 4.01Å; V216-L332 HydrophobicContact CG1-CD2 4.2Å; V216-V335 HydrophobicContact CG2-CG1 4.48Å
217	L	98.4	Very high	85	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126	170.2	-76.2	62.4	0	0	0	107.7	L219 Q244 F246 L259 L263 V268 Q269 V270 L271	L217-L219 HydrophobicContact CB-CD1 4Å; L217-Q244 CarbonylContact C-O 3.48Å; L217-Q244 WeakPolarHBondContact CA-O 3.42Å; L217-F246 HydrophobicContact CD2-CE2 4.23Å; L217-F246 HydrophobicContact CG-CE2 4.31Å; L217-L259 HydrophobicContact CD2-CB 4.1Å; L217-L259 HydrophobicContact CD2-CD2 4.12Å; L217-L259 HydrophobicContact CD2-CG 4.34Å; L217-L259 HydrophobicContact CG-CD2 4.21Å; L217-L263 HydrophobicContact CD1-CD1 4.1Å; L217-V268 HydrophobicContact CD1-CG1 3.39Å; L217-V268 HydrophobicContact CD2-CG1 4.44Å; L217-V268 HydrophobicContact CG-CG1 4.46Å; L217-Q269 PolarHBondContact N-O 3.3Å; L217-V270 HydrophobicContact CB-CG2 4.14Å; L217-V270 CarbonylContact O-C 3.45Å; L217-V270 VanDerWaalsContact O-CA 3.31Å; L217-V270 WeakPolarHBondContact O-CA 3.33Å; L217-L271 PolarHBondContact O-N 2.98Å
218	V	98.3	Very high	84.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.9	179.1	-176.9	0	0	0	0	108.8	F236 L240 Q244 V245 F246 L271	V218-F236 HydrophobicContact CG1-CD2 3.64Å; V218-F236 HydrophobicContact CG1-CE2 3.96Å; V218-F236 HydrophobicContact CG1-CG 4.09Å; V218-F236 HydrophobicContact CG2-CB 4.31Å; V218-F236 HydrophobicContact CG2-CD1 4.03Å; V218-F236 HydrophobicContact CG2-CD2 4.35Å; V218-F236 HydrophobicContact CG2-CE1 4.46Å; V218-F236 HydrophobicContact CG2-CG 3.99Å; V218-L240 HydrophobicContact CG2-CD1 3.72Å; V218-Q244 PolarHBondContact N-O 3.05Å; V218-V245 HydrophobicContact CB-CG1 4.38Å; V218-V245 HydrophobicContact CB-CG2 4.37Å; V218-F246 PolarHBondContact O-N 2.97Å; V218-L271 WeakPolarHBondContact CA-O 3.13Å; V218-L271 HydrophobicContact CG2-CB 4.49Å; V218-L271 HydrophobicContact CG2-CD2 4.29Å
219	L	97.5	Very high	83.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	102.8	177.3	-83.9	64.3	0	0	0	107.9	L217 F246 L248 P253 A256 V270 L271 V272 C273 V282	L217-L219 HydrophobicContact CB-CD1 4Å; L219-F246 HydrophobicContact CD1-CB 4.49Å; L219-F246 HydrophobicContact CD1-CD2 3.84Å; L219-F246 HydrophobicContact CG-CB 4.4Å; L219-L248 HydrophobicContact CB-CD1 4.13Å; L219-L248 HydrophobicContact CB-CD2 4.06Å; L219-L248 HydrophobicContact CB-CG 4.13Å; L219-L248 HydrophobicContact CD2-CD2 4.05Å; L219-L248 HydrophobicContact CG-CD2 3.98Å; L219-P253 HydrophobicContact CD2-CB 4.45Å; L219-A256 HydrophobicContact CD1-CB 4.4Å; L219-A256 HydrophobicContact CD2-CB 4.25Å; L219-A256 HydrophobicContact CG-CB 4.29Å; L219-V270 HydrophobicContact CD1-CG1 4.13Å; L219-V270 HydrophobicContact CD2-CG1 4.19Å; L219-L271 PolarHBondContact N-O 3.46Å; L219-V272 CarbonylContact O-C 3.6Å; L219-V272 WeakPolarHBondContact O-CA 3.44Å; L219-C273 PolarHBondContact O-N 3.34Å; L219-V282 HydrophobicContact CD2-CG1 4.21Å; L219-V282 HydrophobicContact CD2-CG2 3.96Å
220	A	94.4	Very high	83.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	179.6	0	0	0	0	0	111.6	L233 F246 L248 C273	A220-L233 HydrophobicContact CB-CD1 4.23Å; A220-L233 HydrophobicContact CB-CD2 3.6Å; A220-L233 HydrophobicContact CB-CG 3.78Å; A220-F246 PolarHBondContact N-O 3.45Å; A220-L248 PolarHBondContact O-N 2.99Å; A220-C273 WeakPolarHBondContact CA-O 3.28Å; A220-C273 HydrophobicContact CB-CB 3.73Å
221	N	88	Confident	83.5	Confident	25 Å²	25	44.8 Å²	44.8	13%	0.134	25%	0.25	C	S	.	.			trans	-94.5	99.6	169.7	-178.6	1.1	0	0	0	109.7	R223 S224 L248 C273 T278	N221-R223 PolarHBondContact O-N 3.48Å; N221-R223 VanDerWaalsContact O-N 3.11Å; N221-R223 PolarHBondContact OD1-N 3.39Å; N221-S224 PolarHBondContact ND2-OG 3.06Å; N221-S224 WeakPolarHBondContact O-CB 3.38Å; N221-S224 PolarHBondContact O-N 2.95Å; N221-L248 HydrophobicContact CB-CB 4.32Å; N221-L248 HydrophobicContact CB-CD1 4.43Å; N221-C273 PolarHBondContact N-O 2.99Å; N221-T278 HydrophobicContact CB-CG2 3.68Å; N221-T278 PolarHBondContact ND2-OG1 2.97Å
222	T	80.3	Confident	83.9	Confident	20 Å²	20	40 Å²	40	12%	0.123	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.4	-177.2	52.3	0	0	0	0	114.4	S224 L233 D247 S249	T222-S224 VanDerWaalsContact C-N 3.33Å; T222-L233 HydrophobicContact CG2-CD1 3.46Å; T222-L233 VanDerWaalsContact CG2-CD1 3.46Å; T222-D247 WeakPolarHBondContact CG2-OD2 3.31Å; T222-D247 PolarHBondContact OG1-OD1 3.24Å; T222-D247 VanDerWaalsContact OG1-OD1 3.07Å; T222-D247 PolarHBondContact OG1-OD2 3.28Å; T222-D247 VanDerWaalsContact OG1-OD2 3.1Å; T222-S249 WeakPolarHBondContact OG1-CB 3.31Å; T222-S249 PolarHBondContact OG1-OG 3.04Å; T222-S249 VanDerWaalsContact OG1-OG 3.1Å
223	R	72.6	Confident	84.1	Confident	202 Å²	202	36.6 Å²	36.6	76%	0.762	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.5	172.1	-57.9	-174.5	-175.9	-179.8	4	113.2	N221	N221-R223 PolarHBondContact O-N 3.48Å; N221-R223 VanDerWaalsContact O-N 3.11Å; N221-R223 PolarHBondContact OD1-N 3.39Å
224	S	63.8	Low	84	Confident	26 Å²	26	36.6 Å²	36.6	18%	0.182	19%	0.194	C	C	.	.	S	Bend	trans	-93.5	138.5	176.9	-65	0	0	0	0	110.3	N221 T222	N221-S224 PolarHBondContact ND2-OG 3.06Å; N221-S224 WeakPolarHBondContact O-CB 3.38Å; N221-S224 PolarHBondContact O-N 2.95Å; T222-S224 VanDerWaalsContact C-N 3.33Å
225	G	60.1	Low	83.9	Confident	21 Å²	21	39.4 Å²	39.4	22%	0.216	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	94.9	173.7	0	0	0	0	0	114.8	N227 M228 L306	G225-N227 PolarHBondContact O-N 3.16Å; G225-M228 PolarHBondContact O-N 2.91Å; G225-L306 WeakPolarHBondContact CA-O 3.21Å
226	N	63.8	Low	83.8	Confident	97 Å²	97	39.4 Å²	39.4	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.7	26.1	164.7	-76.4	-15.5	0	0	0	118.8	M228 S393	N226-M228 HydrophobicContact CB-CG 4.3Å; N226-M228 PolarHBondContact O-N 2.82Å; N226-S393 VanDerWaalsContact OD1-C 3.3Å; N226-S393 PolarHBondContact OD1-O 3Å
227	N	63.6	Low	83.8	Confident	125 Å²	125	41.7 Å²	41.7	67%	0.668	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	17.7	-169.9	-50.8	-49	0	0	0	115.3	G225 G229 E230	G225-N227 PolarHBondContact O-N 3.16Å; N227-G229 PolarHBondContact O-N 2.66Å; N227-E230 PolarHBondContact O-N 2.76Å
228	M	71.1	Confident	83.6	Confident	55 Å²	55	43.1 Å²	43.1	27%	0.271	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-26.6	175.7	-67.4	-82.8	-72	0	0	112.1	G225 N226 E230 A231 L232 Y322 A323	G225-M228 PolarHBondContact O-N 2.91Å; N226-M228 HydrophobicContact CB-CG 4.3Å; N226-M228 PolarHBondContact O-N 2.82Å; M228-E230 VanDerWaalsContact C-N 3.31Å; M228-E230 PolarHBondContact O-N 2.98Å; M228-A231 PolarHBondContact O-N 2.76Å; M228-L232 WeakPolarHBondContact O-CG 3.4Å; M228-L232 PolarHBondContact O-N 3.46Å; M228-L232 VanDerWaalsContact O-N 3.07Å; M228-Y322 HydrophobicContact CE-CD1 3.96Å; M228-Y322 HydrophobicContact CE-CE1 3.74Å; M228-A323 WeakPolarHBondContact CE-O 3.42Å
229	G	77.6	Confident	83.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-34.5	-177.8	0	0	0	0	0	114	N227 L233	N227-G229 PolarHBondContact O-N 2.66Å; G229-L233 WeakPolarHBondContact O-CB 3.32Å; G229-L233 WeakPolarHBondContact O-CG 3.23Å; G229-L233 PolarHBondContact O-N 3.41Å
230	E	82.5	Confident	83.5	Confident	106 Å²	106	43.6 Å²	43.6	50%	0.495	23%	0.225	S	C	.	.	H	α-helix	trans	-68.3	-46.7	-179.2	-173.1	177.6	-179.5	0	0	111.1	H61 N227 M228 L233 G234	H61-E230 IonicContact CE1-OE1 2.71Å; H61-E230 PolarHBondContact CE1-OE1 2.78Å; H61-E230 VanDerWaalsContact CE1-OE1 3.28Å; H61-E230 IonicContact ND1-OE1 3.92Å; H61-E230 PolarHBondContact ND1-OE1 2.9Å; N227-E230 PolarHBondContact O-N 2.76Å; M228-E230 VanDerWaalsContact C-N 3.31Å; M228-E230 PolarHBondContact O-N 2.98Å; E230-L233 PolarHBondContact O-N 2.9Å; E230-G234 PolarHBondContact O-N 3.46Å
231	A	85.4	Confident	83.6	Confident	58 Å²	58	43.6 Å²	43.6	48%	0.479	23%	0.225	S	C	.	.	H	α-helix	trans	-60.9	-46.4	176.2	0	0	0	0	0	111.5	M228 L233 G234 E235	M228-A231 PolarHBondContact O-N 2.76Å; A231-L233 PolarHBondContact O-N 2.79Å; A231-G234 WeakPolarHBondContact O-CA 2.99Å; A231-G234 PolarHBondContact O-N 2.98Å; A231-E235 PolarHBondContact O-N 2.79Å
232	L	91.2	Very high	83.9	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-46	176.9	-79.2	169.8	0	0	0	112.5	M228 G234 E235 F236 L304 L306 Y322 V328	M228-L232 WeakPolarHBondContact O-CG 3.4Å; M228-L232 PolarHBondContact O-N 3.46Å; M228-L232 VanDerWaalsContact O-N 3.07Å; L232-G234 PolarHBondContact O-N 3.15Å; L232-E235 PolarHBondContact O-N 3.13Å; L232-F236 HydrophobicContact CB-CD2 4.44Å; L232-F236 HydrophobicContact CB-CE2 4.37Å; L232-F236 HydrophobicContact CD2-CE2 4.23Å; L232-F236 WeakPolarHBondContact O-CD2 3.5Å; L232-F236 PolarHBondContact O-N 3.24Å; L232-L304 HydrophobicContact CD1-CD2 3.83Å; L232-L304 HydrophobicContact CD2-CD2 4.12Å; L232-L306 HydrophobicContact CD1-CD1 3.97Å; L232-L306 HydrophobicContact CD1-CD2 3.77Å; L232-L306 HydrophobicContact CD1-CG 4.47Å; L232-Y322 HydrophobicContact CD1-CD1 4.28Å; L232-Y322 HydrophobicContact CD1-CE1 3.92Å; L232-Y322 HydrophobicContact CD2-CE1 3.78Å; L232-Y322 HydrophobicContact CG-CE1 4.22Å; L232-V328 HydrophobicContact CD2-CG1 3.72Å
233	L	92.8	Very high	84.6	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-39	176.7	-73.2	168.5	0	0	0	111.3	A220 T222 G229 E230 A231 R237 V245 D247	A220-L233 HydrophobicContact CB-CD1 4.23Å; A220-L233 HydrophobicContact CB-CD2 3.6Å; A220-L233 HydrophobicContact CB-CG 3.78Å; T222-L233 HydrophobicContact CG2-CD1 3.46Å; T222-L233 VanDerWaalsContact CG2-CD1 3.46Å; G229-L233 WeakPolarHBondContact O-CB 3.32Å; G229-L233 WeakPolarHBondContact O-CG 3.23Å; G229-L233 PolarHBondContact O-N 3.41Å; E230-L233 PolarHBondContact O-N 2.9Å; A231-L233 PolarHBondContact O-N 2.79Å; L233-R237 WeakPolarHBondContact O-CB 3.41Å; L233-R237 WeakPolarHBondContact O-CD 3.4Å; L233-R237 WeakPolarHBondContact O-CG 3.49Å; L233-R237 PolarHBondContact O-N 3.23Å; L233-V245 HydrophobicContact CB-CG1 4.18Å; L233-V245 HydrophobicContact CD2-CG1 3.36Å; L233-V245 HydrophobicContact CG-CG1 4.38Å; L233-D247 HydrophobicContact CD1-CB 3.76Å
234	G	91.7	Very high	85.8	Confident	5 Å²	5	34.5 Å²	34.5	5%	0.052	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-46.5	176.5	0	0	0	0	0	112.9	D86 E230 A231 L232 R237 T238	D86-G234 VanDerWaalsContact O-O 3.07Å; D86-G234 WeakPolarHBondContact OD2-CA 3.27Å; E230-G234 PolarHBondContact O-N 3.46Å; A231-G234 WeakPolarHBondContact O-CA 2.99Å; A231-G234 PolarHBondContact O-N 2.98Å; L232-G234 PolarHBondContact O-N 3.15Å; G234-R237 PolarHBondContact O-N 2.98Å; G234-T238 PolarHBondContact O-N 3.37Å; G234-T238 PolarHBondContact O-OG1 2.88Å
235	E	93.3	Very high	87.4	Confident	81 Å²	81	33.6 Å²	33.6	38%	0.379	19%	0.187	S	C	.	.	H	α-helix	trans	-63.2	-44.7	177.2	-68.3	-179.3	-136.6	0	0	111.9	A231 L232 R237 T238 L239 V328	A231-E235 PolarHBondContact O-N 2.79Å; L232-E235 PolarHBondContact O-N 3.13Å; E235-R237 VanDerWaalsContact C-N 3.31Å; E235-R237 PolarHBondContact O-N 3.14Å; E235-T238 VanDerWaalsContact O-CB 3.32Å; E235-T238 WeakPolarHBondContact O-CB 3.35Å; E235-T238 PolarHBondContact O-N 2.94Å; E235-T238 VanDerWaalsContact O-N 3.09Å; E235-L239 PolarHBondContact O-N 3.5Å; E235-V328 HydrophobicContact CB-CB 4.38Å; E235-V328 HydrophobicContact CB-CG1 3.81Å; E235-V328 HydrophobicContact CB-CG2 3.69Å
236	F	96.6	Very high	89.1	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-34.9	174.4	-74.9	-60.9	0	0	0	112.8	V218 L232 T238 L239 L240 V245 L271 V328 V331 L332	V218-F236 HydrophobicContact CG1-CD2 3.64Å; V218-F236 HydrophobicContact CG1-CE2 3.96Å; V218-F236 HydrophobicContact CG1-CG 4.09Å; V218-F236 HydrophobicContact CG2-CB 4.31Å; V218-F236 HydrophobicContact CG2-CD1 4.03Å; V218-F236 HydrophobicContact CG2-CD2 4.35Å; V218-F236 HydrophobicContact CG2-CE1 4.46Å; V218-F236 HydrophobicContact CG2-CG 3.99Å; L232-F236 HydrophobicContact CB-CD2 4.44Å; L232-F236 HydrophobicContact CB-CE2 4.37Å; L232-F236 HydrophobicContact CD2-CE2 4.23Å; L232-F236 WeakPolarHBondContact O-CD2 3.5Å; L232-F236 PolarHBondContact O-N 3.24Å; F236-T238 VanDerWaalsContact C-N 3.29Å; F236-T238 PolarHBondContact O-N 3.39Å; F236-L239 PolarHBondContact O-N 3.01Å; F236-L240 HydrophobicContact CD1-CD1 4.32Å; F236-L240 VanDerWaalsContact O-CB 3.3Å; F236-L240 WeakPolarHBondContact O-CB 3.23Å; F236-L240 PolarHBondContact O-N 3.14Å; F236-V245 HydrophobicContact CB-CG1 4.12Å; F236-V245 HydrophobicContact CB-CG2 3.94Å; F236-L271 HydrophobicContact CE1-CD2 3.96Å; F236-L271 HydrophobicContact CE2-CD2 4.27Å; F236-L271 HydrophobicContact CZ-CD2 3.59Å; F236-V328 HydrophobicContact CD1-CB 4.24Å; F236-V328 HydrophobicContact CD1-CG1 4.46Å; F236-V328 HydrophobicContact CD2-CG1 4.39Å; F236-V328 HydrophobicContact CE1-CB 3.89Å; F236-V328 HydrophobicContact CE1-CG1 4.11Å; F236-V328 HydrophobicContact CE2-CG1 4.04Å; F236-V328 HydrophobicContact CZ-CB 4.13Å; F236-V328 HydrophobicContact CZ-CG1 3.89Å; F236-V331 HydrophobicContact CZ-CG1 4.34Å; F236-L332 HydrophobicContact CD1-CD2 4.25Å; F236-L332 HydrophobicContact CE1-CD2 3.89Å; F236-L332 HydrophobicContact CE1-CG 4.13Å
237	R	96	Very high	90.6	Very high	48 Å²	48	30.6 Å²	30.6	18%	0.181	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-28.3	174.5	-74.9	168.2	-172.3	137.3	2.2	112.8	D86 K107 L233 G234 E235 L240 P242 V245	D86-R237 CarbonylContact O-C 3.57Å; K107-R237 PolarHBondContact NZ-O 2.83Å; L233-R237 WeakPolarHBondContact O-CB 3.41Å; L233-R237 WeakPolarHBondContact O-CD 3.4Å; L233-R237 WeakPolarHBondContact O-CG 3.49Å; L233-R237 PolarHBondContact O-N 3.23Å; G234-R237 PolarHBondContact O-N 2.98Å; E235-R237 VanDerWaalsContact C-N 3.31Å; E235-R237 PolarHBondContact O-N 3.14Å; R237-L240 VanDerWaalsContact O-O 3.09Å; R237-P242 HydrophobicContact CG-CB 4.49Å; R237-V245 HydrophobicContact CG-CB 3.82Å; R237-V245 HydrophobicContact CG-CG1 3.88Å; R237-V245 HydrophobicContact CG-CG2 4.11Å
238	T	94.7	Very high	92	Very high	30 Å²	30	25 Å²	25	18%	0.184	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-42.4	174.4	-67.1	0	0	0	0	110.4	D86 K107 Q156 G234 E235 F236	D86-T238 PolarHBondContact O-N 3.44Å; D86-T238 VanDerWaalsContact O-N 3.14Å; D86-T238 PolarHBondContact O-OG1 2.83Å; K107-T238 PolarHBondContact NZ-O 3.23Å; Q156-T238 PolarHBondContact NE2-O 3.39Å; Q156-T238 VanDerWaalsContact NE2-O 3.11Å; G234-T238 PolarHBondContact O-N 3.37Å; G234-T238 PolarHBondContact O-OG1 2.88Å; E235-T238 VanDerWaalsContact O-CB 3.32Å; E235-T238 WeakPolarHBondContact O-CB 3.35Å; E235-T238 PolarHBondContact O-N 2.94Å; E235-T238 VanDerWaalsContact O-N 3.09Å; F236-T238 VanDerWaalsContact C-N 3.29Å; F236-T238 PolarHBondContact O-N 3.39Å
239	L	96.3	Very high	92.9	Very high	9 Å²	9	24.4 Å²	24.4	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-84.3	-51.5	-178.2	-59.1	178.7	0	0	0	112.6	K107 Q156 F178 E235 F236 V328 E329 L332	K107-L239 VanDerWaalsContact NZ-C 3.34Å; K107-L239 PolarHBondContact NZ-O 3.07Å; Q156-L239 HydrophobicContact CG-CD2 3.94Å; F178-L239 HydrophobicContact CE2-CD1 4.27Å; E235-L239 PolarHBondContact O-N 3.5Å; F236-L239 PolarHBondContact O-N 3.01Å; L239-V328 HydrophobicContact CD1-CG2 3.62Å; L239-E329 HydrophobicContact CD1-CG 3.8Å; L239-E329 HydrophobicContact CD2-CG 4.43Å; L239-L332 HydrophobicContact CB-CD1 4.32Å; L239-L332 HydrophobicContact CD1-CD1 3.84Å
240	L	97.4	Very high	93.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-90.9	170.2	-172.8	-56.2	175.6	0	0	0	113.3	K107 L181 I182 V216 V218 F236 R237 V245 L332	K107-L240 VanDerWaalsContact CE-O 3.22Å; K107-L240 WeakPolarHBondContact CE-O 3.26Å; K107-L240 PolarHBondContact NZ-O 2.8Å; L181-L240 HydrophobicContact CB-CD2 4.3Å; I182-L240 HydrophobicContact CG1-CD2 3.91Å; V216-L240 HydrophobicContact CG1-CD1 3.62Å; V216-L240 HydrophobicContact CG1-CD2 4.05Å; V218-L240 HydrophobicContact CG2-CD1 3.72Å; F236-L240 HydrophobicContact CD1-CD1 4.32Å; F236-L240 VanDerWaalsContact O-CB 3.3Å; F236-L240 WeakPolarHBondContact O-CB 3.23Å; F236-L240 PolarHBondContact O-N 3.14Å; R237-L240 VanDerWaalsContact O-O 3.09Å; L240-V245 HydrophobicContact CB-CG2 4.34Å; L240-V245 HydrophobicContact CD1-CG2 4.38Å; L240-L332 HydrophobicContact CD1-CD2 4.46Å; L240-L332 HydrophobicContact CD2-CD1 4.2Å; L240-L332 HydrophobicContact CG-CD1 4.5Å
241	N	96.6	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.			trans	-64.9	129.1	167.9	-171.9	-33.1	0	0	0	108.8	I109 W154 I182 I183 V243 Q244	I109-N241 PolarHBondContact O-ND2 3.23Å; I109-N241 VanDerWaalsContact O-ND2 3.11Å; W154-N241 HydrophobicContact CH2-CB 4.18Å; W154-N241 HydrophobicContact CZ3-CB 3.97Å; I182-N241 HydrophobicContact CG2-CB 4.48Å; I183-N241 WeakPolarHBondContact O-CB 3.47Å; I183-N241 PolarHBondContact O-ND2 2.81Å; N241-V243 HydrophobicContact CB-CG1 4.05Å; N241-V243 VanDerWaalsContact CG-CG1 3.47Å; N241-V243 PolarHBondContact O-N 3.43Å; N241-V243 VanDerWaalsContact OD1-CG1 3.27Å; N241-V243 WeakPolarHBondContact OD1-CG1 3.48Å; N241-V243 PolarHBondContact OD1-N 2.96Å; N241-Q244 HydrophobicContact CB-CG 4.32Å; N241-Q244 VanDerWaalsContact O-CB 3.29Å; N241-Q244 WeakPolarHBondContact O-CB 3.29Å; N241-Q244 PolarHBondContact O-N 3.3Å
242	P	95.3	Very high	94.5	Very high	21 Å²	21	30 Å²	30	14%	0.136	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-54.6	-24	-177.1	-29.1	35.9	0	0	0	115.1	C87 K107 I109 R237 Q244 V245	C87-P242 HydrophobicContact CB-CG 4.13Å; K107-P242 HydrophobicContact CB-CG 4.38Å; K107-P242 HydrophobicContact CD-CG 4.27Å; K107-P242 HydrophobicContact CG-CG 4.38Å; I109-P242 HydrophobicContact CG1-CB 4.43Å; R237-P242 HydrophobicContact CG-CB 4.49Å; P242-Q244 PolarHBondContact O-N 3.09Å; P242-V245 PolarHBondContact O-N 3.12Å
243	V	95.4	Very high	94.7	Very high	35 Å²	35	29.9 Å²	29.9	21%	0.212	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16.4	174.6	73.5	0	0	0	0	114.2	I109 L188 N241 F246 L259	I109-V243 HydrophobicContact CG2-CB 3.61Å; I109-V243 HydrophobicContact CG2-CG1 4.09Å; I109-V243 HydrophobicContact CG2-CG2 4.01Å; L188-V243 HydrophobicContact CD1-CB 4.47Å; L188-V243 HydrophobicContact CD1-CG1 3.66Å; L188-V243 HydrophobicContact CD1-CG2 4.43Å; N241-V243 HydrophobicContact CB-CG1 4.05Å; N241-V243 VanDerWaalsContact CG-CG1 3.47Å; N241-V243 PolarHBondContact O-N 3.43Å; N241-V243 VanDerWaalsContact OD1-CG1 3.27Å; N241-V243 WeakPolarHBondContact OD1-CG1 3.48Å; N241-V243 PolarHBondContact OD1-N 2.96Å; V243-F246 WeakPolarHBondContact O-CE2 3.47Å; V243-F246 WeakPolarHBondContact O-CZ 3.34Å; V243-L259 HydrophobicContact CG2-CD2 4.35Å; V243-L259 WeakPolarHBondContact O-CD2 3.48Å
244	Q	97	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-85.8	-11.1	178.9	-66	174.2	-98.2	0	0	112.7	L181 I183 V216 L217 V218 N241 P242	L181-Q244 PolarHBondContact O-NE2 3.09Å; I183-Q244 HydrophobicContact CB-CG 4.13Å; I183-Q244 HydrophobicContact CD1-CG 3.49Å; I183-Q244 VanDerWaalsContact CD1-CG 3.49Å; I183-Q244 HydrophobicContact CG1-CG 3.75Å; I183-Q244 VanDerWaalsContact N-CD 3.32Å; V216-Q244 WeakPolarHBondContact O-CB 3.34Å; V216-Q244 PolarHBondContact O-NE2 3.47Å; L217-Q244 CarbonylContact C-O 3.48Å; L217-Q244 WeakPolarHBondContact CA-O 3.42Å; V218-Q244 PolarHBondContact N-O 3.05Å; N241-Q244 HydrophobicContact CB-CG 4.32Å; N241-Q244 VanDerWaalsContact O-CB 3.29Å; N241-Q244 WeakPolarHBondContact O-CB 3.29Å; N241-Q244 PolarHBondContact O-N 3.3Å; P242-Q244 PolarHBondContact O-N 3.09Å
245	V	97.1	Very high	95.1	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105	-164.8	-174.8	0	0	0	0	110.7	V218 L233 F236 R237 L240 P242	V218-V245 HydrophobicContact CB-CG1 4.38Å; V218-V245 HydrophobicContact CB-CG2 4.37Å; L233-V245 HydrophobicContact CB-CG1 4.18Å; L233-V245 HydrophobicContact CD2-CG1 3.36Å; L233-V245 HydrophobicContact CG-CG1 4.38Å; F236-V245 HydrophobicContact CB-CG1 4.12Å; F236-V245 HydrophobicContact CB-CG2 3.94Å; R237-V245 HydrophobicContact CG-CB 3.82Å; R237-V245 HydrophobicContact CG-CG1 3.88Å; R237-V245 HydrophobicContact CG-CG2 4.11Å; L240-V245 HydrophobicContact CB-CG2 4.34Å; L240-V245 HydrophobicContact CD1-CG2 4.38Å; P242-V245 PolarHBondContact O-N 3.12Å
246	F	96.2	Very high	95.2	Very high	33 Å²	33	34.6 Å²	34.6	15%	0.145	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.7	-169.9	-59.2	-80.5	0	0	0	112.5	L217 V218 L219 A220 V243 L251 A256 L259	L217-F246 HydrophobicContact CD2-CE2 4.23Å; L217-F246 HydrophobicContact CG-CE2 4.31Å; V218-F246 PolarHBondContact O-N 2.97Å; L219-F246 HydrophobicContact CD1-CB 4.49Å; L219-F246 HydrophobicContact CD1-CD2 3.84Å; L219-F246 HydrophobicContact CG-CB 4.4Å; A220-F246 PolarHBondContact N-O 3.45Å; V243-F246 WeakPolarHBondContact O-CE2 3.47Å; V243-F246 WeakPolarHBondContact O-CZ 3.34Å; F246-L251 HydrophobicContact CD1-CD2 3.48Å; F246-L251 VanDerWaalsContact CD1-CD2 3.48Å; F246-L251 HydrophobicContact CE1-CD2 3.87Å; F246-L251 HydrophobicContact CG-CD2 4.41Å; F246-A256 HydrophobicContact CB-CB 4.21Å; F246-A256 HydrophobicContact CD1-CB 4.03Å; F246-A256 HydrophobicContact CD2-CB 3.96Å; F246-A256 HydrophobicContact CE1-CB 4.35Å; F246-A256 HydrophobicContact CE2-CB 4.29Å; F246-A256 HydrophobicContact CG-CB 3.8Å; F246-A256 HydrophobicContact CZ-CB 4.45Å; F246-L259 HydrophobicContact CE2-CD2 4.13Å; F246-L259 HydrophobicContact CZ-CB 4.41Å; F246-L259 HydrophobicContact CZ-CD2 3.89Å
247	D	94.3	Very high	95.2	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.3	167.3	-172.1	-20.1	0	0	0	109.9	T222 L233 S249 E250 L251	T222-D247 WeakPolarHBondContact CG2-OD2 3.31Å; T222-D247 PolarHBondContact OG1-OD1 3.24Å; T222-D247 VanDerWaalsContact OG1-OD1 3.07Å; T222-D247 PolarHBondContact OG1-OD2 3.28Å; T222-D247 VanDerWaalsContact OG1-OD2 3.1Å; L233-D247 HydrophobicContact CD1-CB 3.76Å; D247-S249 PolarHBondContact O-N 3.24Å; D247-S249 WeakPolarHBondContact OD1-CA 3.35Å; D247-S249 WeakPolarHBondContact OD1-CB 2.99Å; D247-S249 PolarHBondContact OD1-N 3.28Å; D247-S249 PolarHBondContact OD1-OG 2.95Å; D247-S249 PolarHBondContact OD2-OG 2.79Å; D247-S249 VanDerWaalsContact OD2-OG 3.1Å; D247-E250 HydrophobicContact CB-CB 4.43Å; D247-E250 HydrophobicContact CB-CG 4.24Å; D247-E250 PolarHBondContact O-N 3.41Å; D247-E250 VanDerWaalsContact O-N 3.12Å; D247-L251 PolarHBondContact O-N 2.75Å
248	L	93.8	Very high	95.1	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.9	179.8	-66	-174.6	0	0	0	114.1	L219 A220 N221 E250 L251 P253 T278 W281 V282	L219-L248 HydrophobicContact CB-CD1 4.13Å; L219-L248 HydrophobicContact CB-CD2 4.06Å; L219-L248 HydrophobicContact CB-CG 4.13Å; L219-L248 HydrophobicContact CD2-CD2 4.05Å; L219-L248 HydrophobicContact CG-CD2 3.98Å; A220-L248 PolarHBondContact O-N 2.99Å; N221-L248 HydrophobicContact CB-CB 4.32Å; N221-L248 HydrophobicContact CB-CD1 4.43Å; L248-E250 VanDerWaalsContact C-N 3.29Å; L248-L251 WeakPolarHBondContact CA-O 2.87Å; L248-P253 HydrophobicContact CD1-CG 4.44Å; L248-P253 HydrophobicContact CD2-CB 4.46Å; L248-P253 HydrophobicContact CD2-CG 3.85Å; L248-T278 HydrophobicContact CD1-CG2 3.65Å; L248-W281 HydrophobicContact CB-CZ3 3.84Å; L248-W281 HydrophobicContact CD1-CE3 4.31Å; L248-W281 HydrophobicContact CD1-CZ3 4.31Å; L248-V282 HydrophobicContact CD1-CG2 4.2Å
249	S	89.2	Confident	95.1	Very high	44 Å²	44	35.1 Å²	35.1	31%	0.308	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.7	171	81	0	0	0	0	112.7	T222 D247	T222-S249 WeakPolarHBondContact OG1-CB 3.31Å; T222-S249 PolarHBondContact OG1-OG 3.04Å; T222-S249 VanDerWaalsContact OG1-OG 3.1Å; D247-S249 PolarHBondContact O-N 3.24Å; D247-S249 WeakPolarHBondContact OD1-CA 3.35Å; D247-S249 WeakPolarHBondContact OD1-CB 2.99Å; D247-S249 PolarHBondContact OD1-N 3.28Å; D247-S249 PolarHBondContact OD1-OG 2.95Å; D247-S249 PolarHBondContact OD2-OG 2.79Å; D247-S249 VanDerWaalsContact OD2-OG 3.1Å
250	E	90.3	Very high	95.1	Very high	167 Å²	167	34.7 Å²	34.7	78%	0.78	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-37.4	179.8	-58.5	-166.6	156.3	0	0	112.6	D247 L248	D247-E250 HydrophobicContact CB-CB 4.43Å; D247-E250 HydrophobicContact CB-CG 4.24Å; D247-E250 PolarHBondContact O-N 3.41Å; D247-E250 VanDerWaalsContact O-N 3.12Å; L248-E250 VanDerWaalsContact C-N 3.29Å
251	L	93.1	Very high	94.8	Very high	56 Å²	56	36 Å²	36	29%	0.293	19%	0.19	S	C	.	.	S	Bend	trans	-126.5	130.6	-175.4	-167.8	74.4	0	0	0	111.5	F246 D247 L248 K255 A256	F246-L251 HydrophobicContact CD1-CD2 3.48Å; F246-L251 VanDerWaalsContact CD1-CD2 3.48Å; F246-L251 HydrophobicContact CE1-CD2 3.87Å; F246-L251 HydrophobicContact CG-CD2 4.41Å; D247-L251 PolarHBondContact O-N 2.75Å; L248-L251 WeakPolarHBondContact CA-O 2.87Å; L251-K255 HydrophobicContact CD1-CB 3.75Å; L251-K255 HydrophobicContact CD1-CD 3.74Å; L251-K255 HydrophobicContact CD1-CG 4.42Å; L251-K255 HydrophobicContact CD2-CB 4.32Å; L251-K255 HydrophobicContact CG-CB 3.89Å; L251-A256 HydrophobicContact CD2-CB 4Å
252	T	95.6	Very high	94.6	Very high	59 Å²	59	38.1 Å²	38.1	36%	0.362	20%	0.2	S	C	.	.			trans	-69.5	149.1	178.5	62.8	0	0	0	0	112	S254 K255 A256 W281	T252-S254 VanDerWaalsContact C-N 3.27Å; T252-S254 PolarHBondContact O-N 2.86Å; T252-K255 WeakPolarHBondContact O-CB 3.37Å; T252-K255 PolarHBondContact O-N 2.92Å; T252-K255 WeakPolarHBondContact OG1-CG 3.33Å; T252-A256 PolarHBondContact O-N 2.84Å; T252-W281 HydrophobicContact CG2-CZ2 4.31Å
253	P	96.9	Very high	94.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-53.4	-42.4	177.8	-27.6	33.1	0	0	0	113	L219 L248 K255 A256 L257 W281 V282 A285	L219-P253 HydrophobicContact CD2-CB 4.45Å; L248-P253 HydrophobicContact CD1-CG 4.44Å; L248-P253 HydrophobicContact CD2-CB 4.46Å; L248-P253 HydrophobicContact CD2-CG 3.85Å; P253-K255 PolarHBondContact O-N 3.22Å; P253-A256 PolarHBondContact O-N 3.07Å; P253-A256 VanDerWaalsContact O-N 3.14Å; P253-L257 WeakPolarHBondContact O-CB 3.27Å; P253-L257 VanDerWaalsContact O-CG 3.24Å; P253-L257 WeakPolarHBondContact O-CG 3.38Å; P253-L257 PolarHBondContact O-N 2.74Å; P253-W281 VanDerWaalsContact CD-CH2 3.45Å; P253-W281 HydrophobicContact CG-CD2 3.49Å; P253-W281 VanDerWaalsContact CG-CD2 3.49Å; P253-W281 HydrophobicContact CG-CE3 3.74Å; P253-W281 HydrophobicContact CG-CG 3.98Å; P253-W281 HydrophobicContact CG-CH2 4.18Å; P253-W281 HydrophobicContact CG-CZ2 3.95Å; P253-W281 HydrophobicContact CG-CZ3 4.08Å; P253-V282 HydrophobicContact CB-CG2 4.13Å; P253-V282 HydrophobicContact CG-CG2 4.1Å; P253-A285 HydrophobicContact CB-CB 3.73Å
254	S	95.6	Very high	94.4	Very high	50 Å²	50	35.9 Å²	35.9	35%	0.35	19%	0.187	S	C	.	.	H	α-helix	trans	-59.8	-31	179	-46.3	0	0	0	0	113.5	T252 Q258	T252-S254 VanDerWaalsContact C-N 3.27Å; T252-S254 PolarHBondContact O-N 2.86Å; S254-Q258 WeakPolarHBondContact O-CG 3.37Å; S254-Q258 PolarHBondContact O-NE2 3.01Å
255	K	95.6	Very high	94.1	Very high	137 Å²	137	37.6 Å²	37.6	60%	0.596	20%	0.198	S	C	*	.	H	α-helix	trans	-79.2	-42.9	175.4	-72.6	-179.8	179.3	-179.9	0	111.3	L251 T252 P253 L257 Q258	L251-K255 HydrophobicContact CD1-CB 3.75Å; L251-K255 HydrophobicContact CD1-CD 3.74Å; L251-K255 HydrophobicContact CD1-CG 4.42Å; L251-K255 HydrophobicContact CD2-CB 4.32Å; L251-K255 HydrophobicContact CG-CB 3.89Å; T252-K255 WeakPolarHBondContact O-CB 3.37Å; T252-K255 PolarHBondContact O-N 2.92Å; T252-K255 WeakPolarHBondContact OG1-CG 3.33Å; P253-K255 PolarHBondContact O-N 3.22Å; K255-L257 VanDerWaalsContact C-N 3.34Å; K255-L257 PolarHBondContact O-N 2.78Å; K255-Q258 WeakPolarHBondContact O-CB 3.36Å; K255-Q258 PolarHBondContact O-N 3.32Å
256	A	96.5	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-46	176.1	0	0	0	0	0	111.5	L219 F246 L251 T252 P253 Q258 L259	L219-A256 HydrophobicContact CD1-CB 4.4Å; L219-A256 HydrophobicContact CD2-CB 4.25Å; L219-A256 HydrophobicContact CG-CB 4.29Å; F246-A256 HydrophobicContact CB-CB 4.21Å; F246-A256 HydrophobicContact CD1-CB 4.03Å; F246-A256 HydrophobicContact CD2-CB 3.96Å; F246-A256 HydrophobicContact CE1-CB 4.35Å; F246-A256 HydrophobicContact CE2-CB 4.29Å; F246-A256 HydrophobicContact CG-CB 3.8Å; F246-A256 HydrophobicContact CZ-CB 4.45Å; L251-A256 HydrophobicContact CD2-CB 4Å; T252-A256 PolarHBondContact O-N 2.84Å; P253-A256 PolarHBondContact O-N 3.07Å; P253-A256 VanDerWaalsContact O-N 3.14Å; A256-Q258 PolarHBondContact O-N 3.23Å; A256-Q258 VanDerWaalsContact O-N 3.1Å; A256-L259 WeakPolarHBondContact O-CB 3.46Å; A256-L259 PolarHBondContact O-N 2.88Å; A256-L259 VanDerWaalsContact O-N 3.11Å
257	L	96.4	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66	-11	179.4	-67.3	173.3	0	0	0	114.1	P253 K255 L259 C260 V270 A285 I286 M289 P299	P253-L257 WeakPolarHBondContact O-CB 3.27Å; P253-L257 VanDerWaalsContact O-CG 3.24Å; P253-L257 WeakPolarHBondContact O-CG 3.38Å; P253-L257 PolarHBondContact O-N 2.74Å; K255-L257 VanDerWaalsContact C-N 3.34Å; K255-L257 PolarHBondContact O-N 2.78Å; L257-L259 PolarHBondContact O-N 3.12Å; L257-C260 VanDerWaalsContact O-CB 3.26Å; L257-C260 WeakPolarHBondContact O-CB 2.94Å; L257-C260 PolarHBondContact O-N 2.9Å; L257-C260 VanDerWaalsContact O-N 3.09Å; L257-V270 HydrophobicContact CD2-CG2 3.82Å; L257-A285 HydrophobicContact CD1-CB 3.78Å; L257-I286 HydrophobicContact CD1-CG1 3.77Å; L257-M289 HydrophobicContact CB-SD 3.72Å; L257-M289 HydrophobicContact CD1-SD 3.98Å; L257-M289 HydrophobicContact CG-SD 4.37Å; L257-P299 HydrophobicContact CD2-CG 4Å
258	Q	94.3	Very high	93.5	Very high	75 Å²	75	41.5 Å²	41.5	35%	0.35	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-62.4	-26	171	-65.1	-55.8	-67	0	0	111.9	S254 K255 A256 C260 T261	S254-Q258 WeakPolarHBondContact O-CG 3.37Å; S254-Q258 PolarHBondContact O-NE2 3.01Å; K255-Q258 WeakPolarHBondContact O-CB 3.36Å; K255-Q258 PolarHBondContact O-N 3.32Å; A256-Q258 PolarHBondContact O-N 3.23Å; A256-Q258 VanDerWaalsContact O-N 3.1Å; Q258-C260 PolarHBondContact O-N 3.05Å; Q258-T261 WeakPolarHBondContact O-CB 3.44Å; Q258-T261 PolarHBondContact O-N 3.4Å; Q258-T261 VanDerWaalsContact O-N 3.09Å; Q258-T261 PolarHBondContact O-OG1 3.27Å
259	L	94.8	Very high	93.7	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.084	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60.8	-32.1	174.5	-177.7	60.4	0	0	0	111.9	I183 L188 L217 V243 F246 A256 L257 T261 L262 L263	I183-L259 HydrophobicContact CD1-CD2 3.89Å; I183-L259 HydrophobicContact CD1-CG 4.36Å; L188-L259 HydrophobicContact CD2-CD1 4.49Å; L217-L259 HydrophobicContact CD2-CB 4.1Å; L217-L259 HydrophobicContact CD2-CD2 4.12Å; L217-L259 HydrophobicContact CD2-CG 4.34Å; L217-L259 HydrophobicContact CG-CD2 4.21Å; V243-L259 HydrophobicContact CG2-CD2 4.35Å; V243-L259 WeakPolarHBondContact O-CD2 3.48Å; F246-L259 HydrophobicContact CE2-CD2 4.13Å; F246-L259 HydrophobicContact CZ-CB 4.41Å; F246-L259 HydrophobicContact CZ-CD2 3.89Å; A256-L259 WeakPolarHBondContact O-CB 3.46Å; A256-L259 PolarHBondContact O-N 2.88Å; A256-L259 VanDerWaalsContact O-N 3.11Å; L257-L259 PolarHBondContact O-N 3.12Å; L259-T261 PolarHBondContact O-N 2.9Å; L259-L262 HydrophobicContact CD1-CD1 4.32Å; L259-L262 WeakPolarHBondContact O-CB 3.22Å; L259-L262 PolarHBondContact O-N 2.91Å; L259-L263 HydrophobicContact CG-CD1 4.4Å
260	C	94.9	Very high	94.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.9	175.6	-57.4	0	0	0	0	112.3	L257 Q258 L262 L263 M289 F297	L257-C260 VanDerWaalsContact O-CB 3.26Å; L257-C260 WeakPolarHBondContact O-CB 2.94Å; L257-C260 PolarHBondContact O-N 2.9Å; L257-C260 VanDerWaalsContact O-N 3.09Å; Q258-C260 PolarHBondContact O-N 3.05Å; C260-L262 PolarHBondContact O-N 3.35Å; C260-L263 PolarHBondContact O-N 3.4Å; C260-M289 HydrophobicContact CB-CE 4.4Å; C260-F297 WeakPolarHBondContact O-CD1 3.32Å
261	T	92.4	Very high	94.5	Very high	28 Å²	28	31.6 Å²	31.6	17%	0.172	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-73.6	-9.1	179.5	73.1	0	0	0	0	113.8	F202 Q258 L259 M289 F297	F202-T261 VanDerWaalsContact CE2-O 3.23Å; F202-T261 WeakPolarHBondContact CE2-O 3.39Å; Q258-T261 WeakPolarHBondContact O-CB 3.44Å; Q258-T261 PolarHBondContact O-N 3.4Å; Q258-T261 VanDerWaalsContact O-N 3.09Å; Q258-T261 PolarHBondContact O-OG1 3.27Å; L259-T261 PolarHBondContact O-N 2.9Å; T261-M289 HydrophobicContact CG2-CE 4.47Å; T261-F297 HydrophobicContact CG2-CD2 4.4Å; T261-F297 HydrophobicContact CG2-CG 4.48Å
262	L	92.8	Very high	94.7	Very high	43 Å²	43	28.9 Å²	28.9	23%	0.225	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-102.4	2.5	175.1	-56.4	-179.4	0	0	0	112.2	Y187 V191 F202 L259 C260	Y187-L262 WeakPolarHBondContact CE1-O 3.29Å; Y187-L262 PolarHBondContact OH-O 3.37Å; V191-L262 HydrophobicContact CG1-CB 4.41Å; V191-L262 HydrophobicContact CG1-CD2 4.43Å; F202-L262 HydrophobicContact CZ-CD2 4.3Å; L259-L262 HydrophobicContact CD1-CD1 4.32Å; L259-L262 WeakPolarHBondContact O-CB 3.22Å; L259-L262 PolarHBondContact O-N 2.91Å; C260-L262 PolarHBondContact O-N 3.35Å
263	L	93.9	Very high	94.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-112.9	162.5	-177.9	-66.1	171	0	0	0	110.3	I183 Y187 W213 P215 L217 L259 C260 V268	I183-L263 HydrophobicContact CD1-CD1 3.86Å; I183-L263 HydrophobicContact CD1-CD2 3.96Å; I183-L263 HydrophobicContact CD1-CG 4.46Å; I183-L263 HydrophobicContact CG1-CD2 4.14Å; I183-L263 HydrophobicContact CG2-CD2 4.5Å; Y187-L263 HydrophobicContact CD1-CD2 4.31Å; Y187-L263 HydrophobicContact CE1-CD2 3.64Å; Y187-L263 WeakPolarHBondContact OH-CA 2.98Å; W213-L263 HydrophobicContact CH2-CD2 3.91Å; W213-L263 HydrophobicContact CZ2-CD2 4.44Å; P215-L263 HydrophobicContact CB-CD1 4.3Å; P215-L263 HydrophobicContact CG-CD2 4.39Å; L217-L263 HydrophobicContact CD1-CD1 4.1Å; L259-L263 HydrophobicContact CG-CD1 4.4Å; C260-L263 PolarHBondContact O-N 3.4Å; L263-V268 HydrophobicContact CB-CG2 3.61Å; L263-V268 HydrophobicContact CD1-CG1 4.21Å; L263-V268 HydrophobicContact CD1-CG2 3.59Å; L263-V268 HydrophobicContact CG-CG2 4.24Å
264	P	91.8	Very high	94.4	Very high	10 Å²	10	26.1 Å²	26.1	7%	0.065	14%	0.139	C	C	.	.			trans	-58.4	135.4	176.8	-22.6	33	0	0	0	111.6	W213 R267	W213-P264 HydrophobicContact CE3-CG 4.15Å; W213-P264 HydrophobicContact CZ3-CG 3.63Å; P264-R267 HydrophobicContact CB-CB 4.36Å; P264-R267 HydrophobicContact CB-CG 3.94Å; P264-R267 PolarHBondContact O-N 3.1Å
265	P	91.4	Very high	94.1	Very high	35 Å²	35	24.2 Å²	24.2	23%	0.227	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	138.3	176.9	-29.4	36.1	0	0	0	113.5	P199 R267 Q296 F297	P199-P265 HydrophobicContact CB-CG 4.22Å; P265-R267 PolarHBondContact O-N 3.1Å; P265-Q296 CarbonylContact C-O 3.49Å; P265-Q296 VanDerWaalsContact CA-O 3.24Å; P265-Q296 WeakPolarHBondContact CA-O 3.13Å; P265-Q296 HydrophobicContact CB-CB 4.09Å; P265-Q296 HydrophobicContact CB-CG 4.3Å; P265-Q296 VanDerWaalsContact CB-O 3.27Å; P265-Q296 WeakPolarHBondContact CB-O 3.27Å; P265-Q296 HydrophobicContact CG-CG 4.36Å; P265-F297 HydrophobicContact CG-CD1 4.29Å; P265-F297 HydrophobicContact CG-CE1 3.83Å; P265-F297 HydrophobicContact CG-CZ 4.42Å
266	G	88.4	Confident	93.8	Very high	38 Å²	38	18.8 Å²	18.8	39%	0.392	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	6.7	173.9	0	0	0	0	0	117.3	Q296 R300	G266-Q296 PolarHBondContact N-O 3.06Å; G266-R300 PolarHBondContact O-NH2 3.44Å
267	R	89.6	Confident	93.5	Very high	101 Å²	101	20.8 Å²	20.8	38%	0.381	13%	0.126	S	C	.	.			trans	-100.5	-15.1	-177.1	-65.8	-65.4	-173.5	146.4	-1.6	115	S211 T214 P264 P265	S211-R267 PolarHBondContact O-NH1 3.15Å; T214-R267 VanDerWaalsContact CA-O 3.31Å; T214-R267 WeakPolarHBondContact CA-O 3.34Å; P264-R267 HydrophobicContact CB-CB 4.36Å; P264-R267 HydrophobicContact CB-CG 3.94Å; P264-R267 PolarHBondContact O-N 3.1Å; P265-R267 PolarHBondContact O-N 3.1Å
268	V	96	Very high	93.4	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.03	13%	0.128	C	C	.	.			trans	-86.3	137.2	-167.9	-173.6	0	0	0	0	111.6	L217 L263 P299 R300	L217-V268 HydrophobicContact CD1-CG1 3.39Å; L217-V268 HydrophobicContact CD2-CG1 4.44Å; L217-V268 HydrophobicContact CG-CG1 4.46Å; L263-V268 HydrophobicContact CB-CG2 3.61Å; L263-V268 HydrophobicContact CD1-CG1 4.21Å; L263-V268 HydrophobicContact CD1-CG2 3.59Å; L263-V268 HydrophobicContact CG-CG2 4.24Å; V268-P299 HydrophobicContact CB-CB 4.19Å; V268-P299 HydrophobicContact CG1-CB 4.15Å; V268-P299 CarbonylContact O-C 3.41Å; V268-P299 VanDerWaalsContact O-CA 3.25Å; V268-P299 WeakPolarHBondContact O-CA 3.37Å; V268-P299 WeakPolarHBondContact O-CB 3.47Å; V268-R300 PolarHBondContact O-N 2.93Å
269	Q	97.3	Very high	93.4	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.047	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.3	170.6	-64	168.7	-50.7	0	0	109.6	T214 P215 V216 L217 R300 L538	T214-Q269 PolarHBondContact O-OE1 3.39Å; P215-Q269 PolarHBondContact O-N 3.1Å; V216-Q269 CarbonylContact C-O 3.52Å; V216-Q269 WeakPolarHBondContact CA-O 3.29Å; V216-Q269 HydrophobicContact CG2-CB 4.3Å; L217-Q269 PolarHBondContact N-O 3.3Å; Q269-R300 CarbonylContact C-O 3.51Å; Q269-R300 WeakPolarHBondContact CA-O 3.34Å; Q269-R300 HydrophobicContact CG-CB 4.45Å; Q269-L538 HydrophobicContact CG-CD1 4.19Å
270	V	98.3	Very high	93.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.1	176.8	167.8	0	0	0	0	108.7	L217 L219 L257 V272 V282 P299 R300 V301 T302	L217-V270 HydrophobicContact CB-CG2 4.14Å; L217-V270 CarbonylContact O-C 3.45Å; L217-V270 VanDerWaalsContact O-CA 3.31Å; L217-V270 WeakPolarHBondContact O-CA 3.33Å; L219-V270 HydrophobicContact CD1-CG1 4.13Å; L219-V270 HydrophobicContact CD2-CG1 4.19Å; L257-V270 HydrophobicContact CD2-CG2 3.82Å; V270-V272 HydrophobicContact CG1-CG2 3.83Å; V270-V282 HydrophobicContact CG1-CG1 4.19Å; V270-P299 HydrophobicContact CB-CB 4.33Å; V270-P299 HydrophobicContact CB-CG 4.4Å; V270-P299 HydrophobicContact CG2-CB 3.56Å; V270-P299 HydrophobicContact CG2-CG 3.6Å; V270-R300 PolarHBondContact N-O 3.43Å; V270-V301 CarbonylContact O-C 3.58Å; V270-V301 WeakPolarHBondContact O-CA 3.48Å; V270-T302 PolarHBondContact O-N 3.26Å
271	L	98.1	Very high	93.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	112.3	171.6	175.9	64.6	0	0	0	109.6	V216 L217 V218 L219 F236 T302 L304 V331	V216-L271 HydrophobicContact CG2-CB 4.01Å; L217-L271 PolarHBondContact O-N 2.98Å; V218-L271 WeakPolarHBondContact CA-O 3.13Å; V218-L271 HydrophobicContact CG2-CB 4.49Å; V218-L271 HydrophobicContact CG2-CD2 4.29Å; L219-L271 PolarHBondContact N-O 3.46Å; F236-L271 HydrophobicContact CE1-CD2 3.96Å; F236-L271 HydrophobicContact CE2-CD2 4.27Å; F236-L271 HydrophobicContact CZ-CD2 3.59Å; L271-T302 HydrophobicContact CB-CG2 3.86Å; L271-T302 HydrophobicContact CD1-CG2 3.68Å; L271-T302 HydrophobicContact CG-CG2 4.39Å; L271-L304 HydrophobicContact CD1-CB 4.06Å; L271-V331 HydrophobicContact CD2-CG1 4.03Å
272	V	97.2	Very high	93.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.2	178.1	-172.8	0	0	0	0	109.5	L219 V270 G274 T278 V279 V282 V301 T302 I303 L304	L219-V272 CarbonylContact O-C 3.6Å; L219-V272 WeakPolarHBondContact O-CA 3.44Å; V270-V272 HydrophobicContact CG1-CG2 3.83Å; V272-G274 PolarHBondContact O-N 3.19Å; V272-T278 HydrophobicContact CG1-CG2 3.84Å; V272-V279 HydrophobicContact CB-CG2 4.29Å; V272-V279 HydrophobicContact CG1-CG2 4.01Å; V272-V282 HydrophobicContact CG1-CG2 4.01Å; V272-V282 HydrophobicContact CG2-CB 4.08Å; V272-V282 HydrophobicContact CG2-CG1 3.93Å; V272-V282 HydrophobicContact CG2-CG2 3.94Å; V272-V301 HydrophobicContact CG2-CG1 3.89Å; V272-T302 PolarHBondContact N-O 3.09Å; V272-I303 WeakPolarHBondContact O-CA 3.05Å; V272-L304 PolarHBondContact O-N 3.19Å
273	C	94.8	Very high	93.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	100.9	174.8	-46.4	0	0	0	0	109.3	L219 A220 N221 L304 L306	L219-C273 PolarHBondContact O-N 3.34Å; A220-C273 WeakPolarHBondContact CA-O 3.28Å; A220-C273 HydrophobicContact CB-CB 3.73Å; N221-C273 PolarHBondContact N-O 2.99Å; C273-L304 WeakPolarHBondContact CA-O 3.32Å; C273-L304 HydrophobicContact CB-CB 4.18Å; C273-L304 HydrophobicContact CB-CD2 4.25Å; C273-L306 HydrophobicContact CB-CD1 3.75Å; C273-L306 HydrophobicContact CB-CG 4.31Å
274	G	91.9	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-174.3	-172.5	0	0	0	0	0	113.3	V272 L304 L306	V272-G274 PolarHBondContact O-N 3.19Å; G274-L304 PolarHBondContact N-O 2.72Å; G274-L304 VanDerWaalsContact N-O 3.07Å; G274-L306 PolarHBondContact O-N 3.05Å
275	G	89.4	Confident	94.2	Very high	10 Å²	10	21.9 Å²	21.9	10%	0.103	13%	0.128	C	C	.	.			trans	-93.6	-178.9	166.7	0	0	0	0	0	112.3	G277 T278 V279	G275-G277 VanDerWaalsContact C-N 3.3Å; G275-G277 PolarHBondContact O-N 2.78Å; G275-T278 WeakPolarHBondContact O-CA 3.48Å; G275-T278 WeakPolarHBondContact O-CB 3.35Å; G275-T278 PolarHBondContact O-N 3.3Å; G275-V279 PolarHBondContact O-N 3.22Å; G275-V279 VanDerWaalsContact O-N 3.15Å
276	D	89.8	Confident	94.4	Very high	24 Å²	24	20.2 Å²	20.2	13%	0.128	12%	0.117	C	C	.	.	H	α-helix	trans	-51.8	-43.4	-175.9	-57	-68.6	0	0	0	113.2	T278 V279 G280 N310 D311 L312 N367	D276-T278 VanDerWaalsContact C-N 3.31Å; D276-T278 PolarHBondContact O-N 2.87Å; D276-V279 PolarHBondContact O-N 3.15Å; D276-V279 VanDerWaalsContact O-N 3.15Å; D276-G280 PolarHBondContact O-N 2.92Å; D276-N310 VanDerWaalsContact OD2-CA 3.27Å; D276-N310 WeakPolarHBondContact OD2-CA 3.21Å; D276-N310 PolarHBondContact OD2-N 3.31Å; D276-D311 PolarHBondContact OD1-N 3.43Å; D276-L312 WeakPolarHBondContact OD1-CB 3.31Å; D276-L312 PolarHBondContact OD1-N 2.92Å; D276-N367 PolarHBondContact OD1-ND2 2.99Å
277	G	90.6	Very high	94.7	Very high	42 Å²	42	19 Å²	19	43%	0.433	10%	0.102	S	C	.	.	H	α-helix	trans	-63.5	-31.5	177.2	0	0	0	0	0	114.3	G275 W281	G275-G277 VanDerWaalsContact C-N 3.3Å; G275-G277 PolarHBondContact O-N 2.78Å; G277-W281 PolarHBondContact O-N 3.47Å
278	T	93.1	Very high	94.9	Very high	9 Å²	9	16 Å²	16	6%	0.055	10%	0.098	C	C	.	.	H	α-helix	trans	-71.8	-40.4	174.2	-59.1	0	0	0	0	110.6	N221 L248 V272 G275 D276 W281 V282	N221-T278 HydrophobicContact CB-CG2 3.68Å; N221-T278 PolarHBondContact ND2-OG1 2.97Å; L248-T278 HydrophobicContact CD1-CG2 3.65Å; V272-T278 HydrophobicContact CG1-CG2 3.84Å; G275-T278 WeakPolarHBondContact O-CA 3.48Å; G275-T278 WeakPolarHBondContact O-CB 3.35Å; G275-T278 PolarHBondContact O-N 3.3Å; D276-T278 VanDerWaalsContact C-N 3.31Å; D276-T278 PolarHBondContact O-N 2.87Å; T278-W281 PolarHBondContact O-N 3.28Å; T278-V282 WeakPolarHBondContact O-CG2 3.27Å; T278-V282 PolarHBondContact O-N 2.87Å; T278-V282 VanDerWaalsContact O-N 3.14Å
279	V	95.3	Very high	94.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-47.2	174.9	-177.3	0	0	0	0	110.2	V272 G275 D276 W281 V282 L283 I303 L312 M537	V272-V279 HydrophobicContact CB-CG2 4.29Å; V272-V279 HydrophobicContact CG1-CG2 4.01Å; G275-V279 PolarHBondContact O-N 3.22Å; G275-V279 VanDerWaalsContact O-N 3.15Å; D276-V279 PolarHBondContact O-N 3.15Å; D276-V279 VanDerWaalsContact O-N 3.15Å; V279-W281 VanDerWaalsContact C-N 3.29Å; V279-W281 PolarHBondContact O-N 3.22Å; V279-V282 PolarHBondContact O-N 3.26Å; V279-V282 VanDerWaalsContact O-N 3.09Å; V279-L283 HydrophobicContact CG1-CD1 4.08Å; V279-L283 HydrophobicContact CG1-CG 4.25Å; V279-L283 WeakPolarHBondContact O-CG 3.3Å; V279-L283 PolarHBondContact O-N 2.96Å; V279-I303 HydrophobicContact CG1-CD1 4.01Å; V279-I303 HydrophobicContact CG1-CG1 4.21Å; V279-I303 HydrophobicContact CG2-CD1 4.01Å; V279-I303 HydrophobicContact CG2-CG1 3.91Å; V279-I303 HydrophobicContact CG2-CG2 3.98Å; V279-L312 HydrophobicContact CB-CD2 4.42Å; V279-L312 HydrophobicContact CG1-CD2 3.74Å; V279-M537 HydrophobicContact CG1-CE 4.46Å
280	G	95.4	Very high	94.2	Very high	9 Å²	9	16.9 Å²	16.9	9%	0.093	10%	0.101	C	C	.	.	H	α-helix	trans	-55.1	-41.6	174.7	0	0	0	0	0	113	D276 V282 L283 D284	D276-G280 PolarHBondContact O-N 2.92Å; G280-V282 PolarHBondContact O-N 2.7Å; G280-L283 PolarHBondContact O-N 3.35Å; G280-D284 PolarHBondContact O-N 3.27Å
281	W	95.3	Very high	93.7	Very high	106 Å²	106	23.9 Å²	23.9	40%	0.402	14%	0.138	S	C	.	.	H	α-helix	trans	-63.1	-40.2	176.2	-175.6	31	0	0	0	113.3	L248 T252 P253 G277 T278 V279 A285	L248-W281 HydrophobicContact CB-CZ3 3.84Å; L248-W281 HydrophobicContact CD1-CE3 4.31Å; L248-W281 HydrophobicContact CD1-CZ3 4.31Å; T252-W281 HydrophobicContact CG2-CZ2 4.31Å; P253-W281 VanDerWaalsContact CD-CH2 3.45Å; P253-W281 HydrophobicContact CG-CD2 3.49Å; P253-W281 VanDerWaalsContact CG-CD2 3.49Å; P253-W281 HydrophobicContact CG-CE3 3.74Å; P253-W281 HydrophobicContact CG-CG 3.98Å; P253-W281 HydrophobicContact CG-CH2 4.18Å; P253-W281 HydrophobicContact CG-CZ2 3.95Å; P253-W281 HydrophobicContact CG-CZ3 4.08Å; G277-W281 PolarHBondContact O-N 3.47Å; T278-W281 PolarHBondContact O-N 3.28Å; V279-W281 VanDerWaalsContact C-N 3.29Å; V279-W281 PolarHBondContact O-N 3.22Å; W281-A285 PolarHBondContact O-N 3.03Å
282	V	97.3	Very high	93.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.6	-43.8	174.8	175.6	0	0	0	0	110.8	L219 L248 P253 V270 V272 T278 V279 G280 D284 A285 I286	L219-V282 HydrophobicContact CD2-CG1 4.21Å; L219-V282 HydrophobicContact CD2-CG2 3.96Å; L248-V282 HydrophobicContact CD1-CG2 4.2Å; P253-V282 HydrophobicContact CB-CG2 4.13Å; P253-V282 HydrophobicContact CG-CG2 4.1Å; V270-V282 HydrophobicContact CG1-CG1 4.19Å; V272-V282 HydrophobicContact CG1-CG2 4.01Å; V272-V282 HydrophobicContact CG2-CB 4.08Å; V272-V282 HydrophobicContact CG2-CG1 3.93Å; V272-V282 HydrophobicContact CG2-CG2 3.94Å; T278-V282 WeakPolarHBondContact O-CG2 3.27Å; T278-V282 PolarHBondContact O-N 2.87Å; T278-V282 VanDerWaalsContact O-N 3.14Å; V279-V282 PolarHBondContact O-N 3.26Å; V279-V282 VanDerWaalsContact O-N 3.09Å; G280-V282 PolarHBondContact O-N 2.7Å; V282-D284 VanDerWaalsContact C-N 3.33Å; V282-D284 PolarHBondContact O-N 3.02Å; V282-A285 WeakPolarHBondContact O-CA 3.41Å; V282-A285 WeakPolarHBondContact O-CB 3.36Å; V282-A285 PolarHBondContact O-N 3.28Å; V282-A285 VanDerWaalsContact O-N 3.08Å; V282-I286 HydrophobicContact CG1-CD1 4.32Å; V282-I286 PolarHBondContact O-N 2.99Å
283	L	97.3	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-39.1	177.6	-67.5	178.3	0	0	0	111.8	V279 G280 A285 I286 D287 V301 M343 R345 T535 M537	V279-L283 HydrophobicContact CG1-CD1 4.08Å; V279-L283 HydrophobicContact CG1-CG 4.25Å; V279-L283 WeakPolarHBondContact O-CG 3.3Å; V279-L283 PolarHBondContact O-N 2.96Å; G280-L283 PolarHBondContact O-N 3.35Å; L283-A285 VanDerWaalsContact C-N 3.29Å; L283-A285 PolarHBondContact O-N 2.88Å; L283-I286 HydrophobicContact CD2-CD1 4.32Å; L283-I286 WeakPolarHBondContact O-CB 3.5Å; L283-I286 PolarHBondContact O-N 3.2Å; L283-I286 VanDerWaalsContact O-N 3.17Å; L283-D287 PolarHBondContact O-N 3.14Å; L283-V301 HydrophobicContact CD2-CB 4.43Å; L283-V301 HydrophobicContact CD2-CG1 4.44Å; L283-V301 HydrophobicContact CD2-CG2 4.07Å; L283-M343 HydrophobicContact CD1-CE 3.74Å; L283-R345 VanDerWaalsContact CB-CZ 3.48Å; L283-R345 PolarHBondContact O-NH1 3.18Å; L283-T535 HydrophobicContact CD2-CG2 3.95Å; L283-M537 HydrophobicContact CD2-SD 4.09Å
284	D	96.1	Very high	92.4	Very high	65 Å²	65	38.8 Å²	38.8	35%	0.348	21%	0.21	S	C	.	.	H	α-helix	trans	-64	-34.8	173.5	-77.8	-18.1	0	0	0	112.5	G280 V282 I286 D287 A288 R345 S364 K532	G280-D284 PolarHBondContact O-N 3.27Å; V282-D284 VanDerWaalsContact C-N 3.33Å; V282-D284 PolarHBondContact O-N 3.02Å; D284-I286 VanDerWaalsContact C-N 3.34Å; D284-D287 PolarHBondContact O-N 3.44Å; D284-A288 PolarHBondContact O-N 3.35Å; D284-R345 IonicContact OD1-CZ 3.78Å; D284-R345 IonicContact OD1-NH2 2.65Å; D284-R345 PolarHBondContact OD1-NH2 3.29Å; D284-S364 VanDerWaalsContact OD1-CB 3.31Å; D284-S364 WeakPolarHBondContact OD1-CB 3.29Å; D284-S364 PolarHBondContact OD1-OG 3.43Å; D284-K532 IonicContact OD1-NZ 3.58Å
285	A	96.4	Very high	92.2	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-33.8	172.8	0	0	0	0	0	112.5	P253 L257 W281 V282 L283 A288 M289	P253-A285 HydrophobicContact CB-CB 3.73Å; L257-A285 HydrophobicContact CD1-CB 3.78Å; W281-A285 PolarHBondContact O-N 3.03Å; V282-A285 WeakPolarHBondContact O-CA 3.41Å; V282-A285 WeakPolarHBondContact O-CB 3.36Å; V282-A285 PolarHBondContact O-N 3.28Å; V282-A285 VanDerWaalsContact O-N 3.08Å; L283-A285 VanDerWaalsContact C-N 3.29Å; L283-A285 PolarHBondContact O-N 2.88Å; A285-A288 WeakPolarHBondContact O-CB 3.38Å; A285-A288 PolarHBondContact O-N 2.76Å; A285-M289 PolarHBondContact O-N 3.39Å
286	I	95.8	Very high	92.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-41.4	172.5	-68.8	170.8	0	0	0	110.8	L257 V282 L283 D284 A288 M289 K290 I298 P299 V301	L257-I286 HydrophobicContact CD1-CG1 3.77Å; V282-I286 HydrophobicContact CG1-CD1 4.32Å; V282-I286 PolarHBondContact O-N 2.99Å; L283-I286 HydrophobicContact CD2-CD1 4.32Å; L283-I286 WeakPolarHBondContact O-CB 3.5Å; L283-I286 PolarHBondContact O-N 3.2Å; L283-I286 VanDerWaalsContact O-N 3.17Å; D284-I286 VanDerWaalsContact C-N 3.34Å; I286-A288 VanDerWaalsContact C-N 3.25Å; I286-A288 PolarHBondContact O-N 3.44Å; I286-M289 WeakPolarHBondContact O-CA 3.44Å; I286-M289 VanDerWaalsContact O-CB 3.3Å; I286-M289 WeakPolarHBondContact O-CB 3.47Å; I286-M289 PolarHBondContact O-N 3.31Å; I286-K290 PolarHBondContact O-N 3.28Å; I286-K290 VanDerWaalsContact O-N 3.14Å; I286-I298 HydrophobicContact CG2-CG1 4.4Å; I286-I298 HydrophobicContact CG2-CG2 3.81Å; I286-P299 HydrophobicContact CD1-CG 3.97Å; I286-P299 HydrophobicContact CG1-CG 4.3Å; I286-V301 HydrophobicContact CD1-CG2 3.36Å
287	D	94.1	Very high	92.4	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-37.6	173.6	-77.7	2.3	0	0	0	111.8	L283 D284 M289 K290 L291 R345 K532 T533	L283-D287 PolarHBondContact O-N 3.14Å; D284-D287 PolarHBondContact O-N 3.44Å; D287-M289 PolarHBondContact O-N 3.35Å; D287-K290 WeakPolarHBondContact O-CB 3.3Å; D287-K290 PolarHBondContact O-N 3.28Å; D287-K290 IonicContact OD1-NZ 2.86Å; D287-L291 WeakPolarHBondContact O-CG 3.39Å; D287-L291 PolarHBondContact O-N 3.48Å; D287-L291 VanDerWaalsContact O-N 3.1Å; D287-R345 IonicContact OD1-CZ 2.67Å; D287-R345 IonicContact OD1-NH1 2.75Å; D287-R345 PolarHBondContact OD1-NH1 2.83Å; D287-R345 IonicContact OD2-CZ 3.52Å; D287-R345 IonicContact OD2-NH1 3.78Å; D287-R345 PolarHBondContact OD2-NH1 3.08Å; D287-R345 IonicContact OD2-NH2 3.65Å; D287-K532 WeakPolarHBondContact OD2-CE 3.31Å; D287-K532 IonicContact OD2-NZ 2.8Å; D287-K532 PolarHBondContact OD2-NZ 3.42Å; D287-T533 WeakPolarHBondContact OD1-CG2 3.21Å
288	A	92.9	Very high	92.5	Very high	36 Å²	36	45.8 Å²	45.8	30%	0.298	23%	0.231	S	C	.	.	H	α-helix	trans	-66.1	-23.1	174.2	0	0	0	0	0	113.2	D284 A285 I286 K292	D284-A288 PolarHBondContact O-N 3.35Å; A285-A288 WeakPolarHBondContact O-CB 3.38Å; A285-A288 PolarHBondContact O-N 2.76Å; I286-A288 VanDerWaalsContact C-N 3.25Å; I286-A288 PolarHBondContact O-N 3.44Å; A288-K292 WeakPolarHBondContact O-CG 3.21Å
289	M	91.8	Very high	92.7	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-73.4	-42.6	170.8	-65.8	175.1	65.5	0	0	111.3	L257 C260 T261 A285 I286 D287 L291 K292 Q294 F297	L257-M289 HydrophobicContact CB-SD 3.72Å; L257-M289 HydrophobicContact CD1-SD 3.98Å; L257-M289 HydrophobicContact CG-SD 4.37Å; C260-M289 HydrophobicContact CB-CE 4.4Å; T261-M289 HydrophobicContact CG2-CE 4.47Å; A285-M289 PolarHBondContact O-N 3.39Å; I286-M289 WeakPolarHBondContact O-CA 3.44Å; I286-M289 VanDerWaalsContact O-CB 3.3Å; I286-M289 WeakPolarHBondContact O-CB 3.47Å; I286-M289 PolarHBondContact O-N 3.31Å; D287-M289 PolarHBondContact O-N 3.35Å; M289-L291 VanDerWaalsContact C-N 3.27Å; M289-L291 PolarHBondContact O-N 2.97Å; M289-K292 PolarHBondContact O-N 3.23Å; M289-Q294 HydrophobicContact CB-CB 4.24Å; M289-Q294 WeakPolarHBondContact O-CB 3.25Å; M289-Q294 PolarHBondContact O-N 3.06Å; M289-Q294 VanDerWaalsContact O-N 3.17Å; M289-F297 HydrophobicContact CE-CB 4.2Å
290	K	87.8	Confident	92.8	Very high	31 Å²	31	49.1 Å²	49.1	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-54.8	-44.4	173.5	-67.9	173.4	177.4	169.3	0	111.6	I286 D287 K292 D293 D295 I298 T533 Q534	I286-K290 PolarHBondContact O-N 3.28Å; I286-K290 VanDerWaalsContact O-N 3.14Å; D287-K290 WeakPolarHBondContact O-CB 3.3Å; D287-K290 PolarHBondContact O-N 3.28Å; D287-K290 IonicContact OD1-NZ 2.86Å; K290-K292 PolarHBondContact O-N 3.2Å; K290-K292 VanDerWaalsContact O-N 3.12Å; K290-D293 PolarHBondContact O-N 3.45Å; K290-D293 VanDerWaalsContact O-N 3.11Å; K290-D295 WeakPolarHBondContact CG-OD1 3.46Å; K290-I298 HydrophobicContact CD-CD1 4.13Å; K290-I298 VanDerWaalsContact CE-CD1 3.49Å; K290-I298 HydrophobicContact CG-CD1 3.54Å; K290-I298 HydrophobicContact CG-CG1 4.24Å; K290-T533 PolarHBondContact NZ-OG1 3.11Å; K290-Q534 PolarHBondContact NZ-O 2.94Å
291	L	87.5	Confident	92.9	Very high	147 Å²	147	48.7 Å²	48.7	77%	0.77	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.4	177.8	-65.3	175.9	0	0	0	114.5	D287 M289	D287-L291 WeakPolarHBondContact O-CG 3.39Å; D287-L291 PolarHBondContact O-N 3.48Å; D287-L291 VanDerWaalsContact O-N 3.1Å; M289-L291 VanDerWaalsContact C-N 3.27Å; M289-L291 PolarHBondContact O-N 2.97Å
292	K	88.9	Confident	92.9	Very high	124 Å²	124	43.6 Å²	43.6	54%	0.539	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	17.2	176.8	-68.1	176.2	-177.7	-179.7	0	112.3	A288 M289 K290 Q294	A288-K292 WeakPolarHBondContact O-CG 3.21Å; M289-K292 PolarHBondContact O-N 3.23Å; K290-K292 PolarHBondContact O-N 3.2Å; K290-K292 VanDerWaalsContact O-N 3.12Å; K292-Q294 HydrophobicContact CB-CG 4.11Å; K292-Q294 PolarHBondContact O-N 3.46Å
293	D	85.4	Confident	92.8	Very high	146 Å²	146	43.8 Å²	43.8	78%	0.781	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	34.3	-176.9	-50.8	-53.9	0	0	0	112.6	K290	K290-D293 PolarHBondContact O-N 3.45Å; K290-D293 VanDerWaalsContact O-N 3.11Å
294	Q	88.4	Confident	92.7	Very high	42 Å²	42	44.2 Å²	44.2	20%	0.196	22%	0.222	C	C	.	.			trans	-102.7	26.3	179.3	-59.9	-175.8	-20.5	0	0	112.5	M289 K292 Q296 F297	M289-Q294 HydrophobicContact CB-CB 4.24Å; M289-Q294 WeakPolarHBondContact O-CB 3.25Å; M289-Q294 PolarHBondContact O-N 3.06Å; M289-Q294 VanDerWaalsContact O-N 3.17Å; K292-Q294 HydrophobicContact CB-CG 4.11Å; K292-Q294 PolarHBondContact O-N 3.46Å; Q294-Q296 PolarHBondContact O-N 3.16Å; Q294-Q296 VanDerWaalsContact O-N 3.16Å; Q294-F297 HydrophobicContact CB-CD2 4.4Å; Q294-F297 PolarHBondContact O-N 3.21Å
295	D	88.4	Confident	92.5	Very high	84 Å²	84	41.3 Å²	41.3	45%	0.449	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-57.2	-34.8	-172.2	-59	-84.2	0	0	0	113.8	K290 F297 I298	K290-D295 WeakPolarHBondContact CG-OD1 3.46Å; D295-F297 PolarHBondContact O-N 3.45Å; D295-I298 HydrophobicContact CB-CD1 4.14Å; D295-I298 WeakPolarHBondContact O-CB 3.3Å; D295-I298 VanDerWaalsContact O-CD1 3.31Å; D295-I298 WeakPolarHBondContact O-CD1 3.47Å; D295-I298 VanDerWaalsContact O-CG1 3.27Å; D295-I298 WeakPolarHBondContact O-CG1 3.44Å; D295-I298 PolarHBondContact O-N 3.33Å
296	Q	90.2	Very high	92.1	Very high	96 Å²	96	41.2 Å²	41.2	45%	0.449	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-64.4	-19.9	178	72.6	-172.9	-9.7	0	0	113.8	P265 G266 Q294	P265-Q296 CarbonylContact C-O 3.49Å; P265-Q296 VanDerWaalsContact CA-O 3.24Å; P265-Q296 WeakPolarHBondContact CA-O 3.13Å; P265-Q296 HydrophobicContact CB-CB 4.09Å; P265-Q296 HydrophobicContact CB-CG 4.3Å; P265-Q296 VanDerWaalsContact CB-O 3.27Å; P265-Q296 WeakPolarHBondContact CB-O 3.27Å; P265-Q296 HydrophobicContact CG-CG 4.36Å; G266-Q296 PolarHBondContact N-O 3.06Å; Q294-Q296 PolarHBondContact O-N 3.16Å; Q294-Q296 VanDerWaalsContact O-N 3.16Å
297	F	92.6	Very high	91.4	Very high	19 Å²	19	41.8 Å²	41.8	8%	0.083	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-102.7	8.6	-178.8	-60.5	-69.4	0	0	0	113.4	P199 F202 C260 T261 P265 M289 Q294 D295 P299	P199-F297 HydrophobicContact CB-CZ 4.3Å; P199-F297 HydrophobicContact CG-CZ 4.04Å; F202-F297 HydrophobicContact CD2-CE1 4.49Å; C260-F297 WeakPolarHBondContact O-CD1 3.32Å; T261-F297 HydrophobicContact CG2-CD2 4.4Å; T261-F297 HydrophobicContact CG2-CG 4.48Å; P265-F297 HydrophobicContact CG-CD1 4.29Å; P265-F297 HydrophobicContact CG-CE1 3.83Å; P265-F297 HydrophobicContact CG-CZ 4.42Å; M289-F297 HydrophobicContact CE-CB 4.2Å; Q294-F297 HydrophobicContact CB-CD2 4.4Å; Q294-F297 PolarHBondContact O-N 3.21Å; D295-F297 PolarHBondContact O-N 3.45Å; F297-P299 WeakPolarHBondContact O-CD 3.41Å
298	I	93.4	Very high	90.6	Very high	24 Å²	24	42.8 Å²	42.8	12%	0.123	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-62.5	123.7	176.5	-67.3	164.8	0	0	0	109.1	I286 K290 D295	I286-I298 HydrophobicContact CG2-CG1 4.4Å; I286-I298 HydrophobicContact CG2-CG2 3.81Å; K290-I298 HydrophobicContact CD-CD1 4.13Å; K290-I298 VanDerWaalsContact CE-CD1 3.49Å; K290-I298 HydrophobicContact CG-CD1 3.54Å; K290-I298 HydrophobicContact CG-CG1 4.24Å; D295-I298 HydrophobicContact CB-CD1 4.14Å; D295-I298 WeakPolarHBondContact O-CB 3.3Å; D295-I298 VanDerWaalsContact O-CD1 3.31Å; D295-I298 WeakPolarHBondContact O-CD1 3.47Å; D295-I298 VanDerWaalsContact O-CG1 3.27Å; D295-I298 WeakPolarHBondContact O-CG1 3.44Å; D295-I298 PolarHBondContact O-N 3.33Å
299	P	96.2	Very high	89.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-81.1	161	176.4	34	-34.6	0	0	0	111.7	L257 V268 V270 I286 F297	L257-P299 HydrophobicContact CD2-CG 4Å; V268-P299 HydrophobicContact CB-CB 4.19Å; V268-P299 HydrophobicContact CG1-CB 4.15Å; V268-P299 CarbonylContact O-C 3.41Å; V268-P299 VanDerWaalsContact O-CA 3.25Å; V268-P299 WeakPolarHBondContact O-CA 3.37Å; V268-P299 WeakPolarHBondContact O-CB 3.47Å; V270-P299 HydrophobicContact CB-CB 4.33Å; V270-P299 HydrophobicContact CB-CG 4.4Å; V270-P299 HydrophobicContact CG2-CB 3.56Å; V270-P299 HydrophobicContact CG2-CG 3.6Å; I286-P299 HydrophobicContact CD1-CG 3.97Å; I286-P299 HydrophobicContact CG1-CG 4.3Å; F297-P299 WeakPolarHBondContact O-CD 3.41Å
300	R	96.6	Very high	89.7	Confident	80 Å²	80	42.1 Å²	42.1	30%	0.302	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.2	166.3	-57.5	161.6	-171.7	-172.6	4.3	108.7	G266 V268 Q269 V270 V340 F536 L538	G266-R300 PolarHBondContact O-NH2 3.44Å; V268-R300 PolarHBondContact O-N 2.93Å; Q269-R300 CarbonylContact C-O 3.51Å; Q269-R300 WeakPolarHBondContact CA-O 3.34Å; Q269-R300 HydrophobicContact CG-CB 4.45Å; V270-R300 PolarHBondContact N-O 3.43Å; R300-V340 HydrophobicContact CG-CG1 4.4Å; R300-V340 HydrophobicContact CG-CG2 4.47Å; R300-F536 WeakPolarHBondContact CA-O 3.26Å; R300-F536 HydrophobicContact CG-CB 4.19Å; R300-L538 HydrophobicContact CB-CD2 3.84Å; R300-L538 HydrophobicContact CB-CG 4.32Å
301	V	97.9	Very high	89.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.6	-172.5	-177.6	0	0	0	0	111.4	V270 V272 L283 I286 F536 M537 L538	V270-V301 CarbonylContact O-C 3.58Å; V270-V301 WeakPolarHBondContact O-CA 3.48Å; V272-V301 HydrophobicContact CG2-CG1 3.89Å; L283-V301 HydrophobicContact CD2-CB 4.43Å; L283-V301 HydrophobicContact CD2-CG1 4.44Å; L283-V301 HydrophobicContact CD2-CG2 4.07Å; I286-V301 HydrophobicContact CD1-CG2 3.36Å; V301-F536 PolarHBondContact N-O 3.31Å; V301-M537 HydrophobicContact CB-CE 4.08Å; V301-M537 HydrophobicContact CB-SD 3.79Å; V301-M537 HydrophobicContact CG1-CE 3.97Å; V301-M537 HydrophobicContact CG1-SD 4.27Å; V301-M537 CarbonylContact O-C 3.52Å; V301-M537 WeakPolarHBondContact O-CA 3.32Å; V301-L538 PolarHBondContact O-N 3.39Å
302	T	96.4	Very high	90.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163.3	172.9	-179.8	0	0	0	0	110.6	V270 L271 V272 W318 V335 L538	V270-T302 PolarHBondContact O-N 3.26Å; L271-T302 HydrophobicContact CB-CG2 3.86Å; L271-T302 HydrophobicContact CD1-CG2 3.68Å; L271-T302 HydrophobicContact CG-CG2 4.39Å; V272-T302 PolarHBondContact N-O 3.09Å; T302-W318 WeakPolarHBondContact OG1-CH2 3.48Å; T302-W318 WeakPolarHBondContact OG1-CZ2 3.22Å; T302-V335 HydrophobicContact CG2-CG1 4.47Å; T302-V335 HydrophobicContact CG2-CG2 4Å; T302-L538 HydrophobicContact CG2-CD1 3.94Å
303	I	95.5	Very high	90.4	Very high	4 Å²	4	28 Å²	28	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.9	-167.5	-54	172.6	0	0	0	109.5	V272 V279 L312 L316 M537	V272-I303 WeakPolarHBondContact O-CA 3.05Å; V279-I303 HydrophobicContact CG1-CD1 4.01Å; V279-I303 HydrophobicContact CG1-CG1 4.21Å; V279-I303 HydrophobicContact CG2-CD1 4.01Å; V279-I303 HydrophobicContact CG2-CG1 3.91Å; V279-I303 HydrophobicContact CG2-CG2 3.98Å; I303-L312 HydrophobicContact CD1-CB 4.26Å; I303-L312 HydrophobicContact CD1-CD2 3.81Å; I303-L312 HydrophobicContact CD1-CG 3.63Å; I303-L316 HydrophobicContact CD1-CD1 3.85Å; I303-M537 HydrophobicContact CD1-CE 4.09Å; I303-M537 HydrophobicContact CG1-CE 4.38Å
304	L	94.4	Very high	90.7	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.047	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.7	159.3	-174.7	69.4	0	0	0	107.9	L232 L271 V272 C273 G274 L306 Y322 V331	L232-L304 HydrophobicContact CD1-CD2 3.83Å; L232-L304 HydrophobicContact CD2-CD2 4.12Å; L271-L304 HydrophobicContact CD1-CB 4.06Å; V272-L304 PolarHBondContact O-N 3.19Å; C273-L304 WeakPolarHBondContact CA-O 3.32Å; C273-L304 HydrophobicContact CB-CB 4.18Å; C273-L304 HydrophobicContact CB-CD2 4.25Å; G274-L304 PolarHBondContact N-O 2.72Å; G274-L304 VanDerWaalsContact N-O 3.07Å; L304-L306 PolarHBondContact O-N 2.79Å; L304-Y322 HydrophobicContact CD1-CD2 3.72Å; L304-Y322 HydrophobicContact CD1-CE2 4.2Å; L304-Y322 HydrophobicContact CD1-CG 3.97Å; L304-Y322 HydrophobicContact CD2-CD1 4.45Å; L304-Y322 HydrophobicContact CD2-CG 4.5Å; L304-Y322 HydrophobicContact CG-CD2 4.43Å; L304-Y322 HydrophobicContact CG-CG 4.23Å; L304-V331 HydrophobicContact CD1-CG1 4.16Å; L304-V331 HydrophobicContact CD1-CG2 4.01Å
305	P	92.2	Very high	90.9	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.019	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	92.9	-165.3	30.3	-37.3	0	0	0	113.2	N310 S313 G321 Y322	P305-N310 HydrophobicContact CB-CB 3.89Å; P305-S313 VanDerWaalsContact CB-OG 3.29Å; P305-S313 WeakPolarHBondContact CB-OG 3.22Å; P305-S313 VanDerWaalsContact CG-OG 3.3Å; P305-S313 WeakPolarHBondContact CG-OG 3.45Å; P305-G321 CarbonylContact O-C 3.47Å; P305-G321 VanDerWaalsContact O-CA 3.23Å; P305-G321 WeakPolarHBondContact O-CA 3.41Å; P305-Y322 PolarHBondContact O-N 3.05Å
306	L	88.1	Confident	91.2	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	9%	0.09	C	C	.	.			trans	-90.9	-5.8	176.4	-57.2	-176.4	0	0	0	113.4	G225 L232 C273 G274 L304 Y322	G225-L306 WeakPolarHBondContact CA-O 3.21Å; L232-L306 HydrophobicContact CD1-CD1 3.97Å; L232-L306 HydrophobicContact CD1-CD2 3.77Å; L232-L306 HydrophobicContact CD1-CG 4.47Å; C273-L306 HydrophobicContact CB-CD1 3.75Å; C273-L306 HydrophobicContact CB-CG 4.31Å; G274-L306 PolarHBondContact O-N 3.05Å; L304-L306 PolarHBondContact O-N 2.79Å; L306-Y322 HydrophobicContact CD2-CD1 3.68Å; L306-Y322 HydrophobicContact CD2-CG 4.3Å
307	G	81.3	Confident	91.3	Very high	13 Å²	13	12.6 Å²	12.6	13%	0.134	7%	0.074	C	C	.	.	S	Bend	trans	-83	-175.3	-178.6	0	0	0	0	0	114.4	N310 R395	G307-N310 VanDerWaalsContact C-ND2 3.3Å; G307-N310 WeakPolarHBondContact CA-OD1 3.43Å; G307-N310 PolarHBondContact N-OD1 3.11Å; G307-N310 VanDerWaalsContact N-OD1 3.14Å; G307-N310 PolarHBondContact O-ND2 2.8Å; G307-R395 WeakPolarHBondContact O-CD 3.47Å
308	T	77.5	Confident	91.3	Very high	34 Å²	34	13.1 Å²	13.1	21%	0.209	8%	0.075	C	C	.	.	S	Bend	trans	-95.2	-39.3	175.2	-56	0	0	0	0	112.9	R395 N398 K399	T308-R395 HydrophobicContact CG2-CB 4.49Å; T308-N398 HydrophobicContact CG2-CB 3.53Å; T308-N398 PolarHBondContact OG1-ND2 3.34Å; T308-K399 HydrophobicContact CG2-CG 3.73Å; T308-K399 WeakPolarHBondContact O-CE 3.16Å
309	G	77.1	Confident	91.1	Very high	23 Å²	23	13 Å²	13	24%	0.237	8%	0.08	C	C	.	.			trans	-79.2	-61.1	-177.7	0	0	0	0	0	112.3	D311	G309-D311 PolarHBondContact O-N 3.29Å; G309-D311 VanDerWaalsContact O-N 3.12Å
310	N	87.6	Confident	90.6	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.011	10%	0.097	C	C	.	.			trans	51	32.9	173.9	-53.3	-34.3	0	0	0	113.5	D276 P305 G307 L312 S313 N314 A320	D276-N310 VanDerWaalsContact OD2-CA 3.27Å; D276-N310 WeakPolarHBondContact OD2-CA 3.21Å; D276-N310 PolarHBondContact OD2-N 3.31Å; P305-N310 HydrophobicContact CB-CB 3.89Å; G307-N310 VanDerWaalsContact C-ND2 3.3Å; G307-N310 WeakPolarHBondContact CA-OD1 3.43Å; G307-N310 PolarHBondContact N-OD1 3.11Å; G307-N310 VanDerWaalsContact N-OD1 3.14Å; G307-N310 PolarHBondContact O-ND2 2.8Å; N310-L312 PolarHBondContact O-N 2.86Å; N310-S313 WeakPolarHBondContact O-CB 3.4Å; N310-S313 PolarHBondContact O-N 3.1Å; N310-S313 VanDerWaalsContact O-N 3.15Å; N310-N314 PolarHBondContact O-N 3.14Å; N310-N314 PolarHBondContact O-ND2 3.07Å; N310-N314 VanDerWaalsContact O-ND2 3.14Å; N310-A320 PolarHBondContact ND2-O 3.39Å
311	D	92.2	Very high	90.1	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.027	9%	0.093	C	C	.	.	H	α-helix	trans	-61.6	-36.5	-178.7	-67.5	-52.9	0	0	0	111.2	D276 G309 N314 T315 I444 G449 G450	D276-D311 PolarHBondContact OD1-N 3.43Å; G309-D311 PolarHBondContact O-N 3.29Å; G309-D311 VanDerWaalsContact O-N 3.12Å; D311-N314 PolarHBondContact O-N 3.47Å; D311-T315 PolarHBondContact O-N 2.92Å; D311-T315 PolarHBondContact O-OG1 3.36Å; D311-I444 HydrophobicContact CB-CD1 3.85Å; D311-G449 WeakPolarHBondContact OD1-CA 3.45Å; D311-G449 PolarHBondContact OD1-N 3.09Å; D311-G449 PolarHBondContact OD2-N 2.82Å; D311-G450 PolarHBondContact OD1-N 2.85Å
312	L	93.9	Very high	89.6	Confident	2 Å²	2	13 Å²	13	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-67.9	-40	176.7	-177.3	55.1	0	0	0	112	D276 V279 I303 N310 T315 L316 M343 I444 M537	D276-L312 WeakPolarHBondContact OD1-CB 3.31Å; D276-L312 PolarHBondContact OD1-N 2.92Å; V279-L312 HydrophobicContact CB-CD2 4.42Å; V279-L312 HydrophobicContact CG1-CD2 3.74Å; I303-L312 HydrophobicContact CD1-CB 4.26Å; I303-L312 HydrophobicContact CD1-CD2 3.81Å; I303-L312 HydrophobicContact CD1-CG 3.63Å; N310-L312 PolarHBondContact O-N 2.86Å; L312-T315 PolarHBondContact O-N 2.79Å; L312-L316 HydrophobicContact CD1-CD1 3.92Å; L312-L316 HydrophobicContact CD1-CG 4.34Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.48Å; L312-L316 WeakPolarHBondContact O-CG 3.44Å; L312-L316 PolarHBondContact O-N 3.22Å; L312-M343 HydrophobicContact CD1-CE 4.37Å; L312-M343 HydrophobicContact CD1-SD 3.38Å; L312-M343 WeakPolarHBondContact CD1-SD 3.37Å; L312-M343 HydrophobicContact CD2-CE 4.42Å; L312-M343 HydrophobicContact CD2-SD 4.44Å; L312-I444 HydrophobicContact CD1-CG2 4.43Å; L312-M537 HydrophobicContact CD2-CE 4.37Å
313	S	94.1	Very high	88.9	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-45.5	175.8	-179.3	0	0	0	0	111.7	P305 N310 T315 L316 G317 W318 G319	P305-S313 VanDerWaalsContact CB-OG 3.29Å; P305-S313 WeakPolarHBondContact CB-OG 3.22Å; P305-S313 VanDerWaalsContact CG-OG 3.3Å; P305-S313 WeakPolarHBondContact CG-OG 3.45Å; N310-S313 WeakPolarHBondContact O-CB 3.4Å; N310-S313 PolarHBondContact O-N 3.1Å; N310-S313 VanDerWaalsContact O-N 3.15Å; S313-T315 VanDerWaalsContact C-N 3.33Å; S313-T315 PolarHBondContact O-N 3.02Å; S313-L316 CarbonylContact O-C 3.6Å; S313-L316 PolarHBondContact O-N 3.05Å; S313-L316 VanDerWaalsContact O-N 3.15Å; S313-G317 PolarHBondContact O-N 3.33Å; S313-W318 PolarHBondContact O-N 3.27Å; S313-W318 VanDerWaalsContact OG-CB 3.27Å; S313-W318 WeakPolarHBondContact OG-CB 3.49Å; S313-G319 WeakPolarHBondContact CB-O 3.42Å; S313-G319 PolarHBondContact OG-O 3.16Å
314	N	91.8	Very high	88.3	Confident	13 Å²	13	17.6 Å²	17.6	7%	0.07	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-44.8	175.2	-76.8	-50.5	0	0	0	111.7	N310 D311 L316 G317 G319 A320 Y446	N310-N314 PolarHBondContact O-N 3.14Å; N310-N314 PolarHBondContact O-ND2 3.07Å; N310-N314 VanDerWaalsContact O-ND2 3.14Å; D311-N314 PolarHBondContact O-N 3.47Å; N314-L316 PolarHBondContact O-N 3.17Å; N314-G317 PolarHBondContact O-N 3.4Å; N314-G317 VanDerWaalsContact O-N 3.16Å; N314-G319 PolarHBondContact OD1-O 3.28Å; N314-A320 WeakPolarHBondContact OD1-CA 3.44Å; N314-A320 WeakPolarHBondContact OD1-CB 3.37Å; N314-A320 PolarHBondContact OD1-N 3.29Å; N314-Y446 HydrophobicContact CB-CD1 3.75Å; N314-Y446 HydrophobicContact CB-CD2 4.02Å; N314-Y446 HydrophobicContact CB-CE1 3.71Å; N314-Y446 HydrophobicContact CB-CE2 3.99Å; N314-Y446 HydrophobicContact CB-CG 3.87Å
315	T	91.9	Very high	87.8	Confident	20 Å²	20	22.6 Å²	22.6	12%	0.123	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-36.7	177.1	-54.6	0	0	0	0	111.7	D311 L312 S313 I444 Y446 L467	D311-T315 PolarHBondContact O-N 2.92Å; D311-T315 PolarHBondContact O-OG1 3.36Å; L312-T315 PolarHBondContact O-N 2.79Å; S313-T315 VanDerWaalsContact C-N 3.33Å; S313-T315 PolarHBondContact O-N 3.02Å; T315-I444 HydrophobicContact CG2-CB 3.98Å; T315-I444 HydrophobicContact CG2-CG2 4.11Å; T315-Y446 VanDerWaalsContact OG1-CD2 3.29Å; T315-Y446 WeakPolarHBondContact OG1-CD2 3.43Å; T315-L467 HydrophobicContact CG2-CD2 3.8Å
316	L	93.8	Very high	87.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	5.1	-178.7	-68	170.1	0	0	0	114.2	I303 L312 S313 N314 W318 V341 L467 M537 Y539 H540	I303-L316 HydrophobicContact CD1-CD1 3.85Å; L312-L316 HydrophobicContact CD1-CD1 3.92Å; L312-L316 HydrophobicContact CD1-CG 4.34Å; L312-L316 HydrophobicContact CG-CD1 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.48Å; L312-L316 WeakPolarHBondContact O-CG 3.44Å; L312-L316 PolarHBondContact O-N 3.22Å; S313-L316 CarbonylContact O-C 3.6Å; S313-L316 PolarHBondContact O-N 3.05Å; S313-L316 VanDerWaalsContact O-N 3.15Å; N314-L316 PolarHBondContact O-N 3.17Å; L316-W318 VanDerWaalsContact C-N 3.33Å; L316-W318 PolarHBondContact O-N 3.2Å; L316-V341 HydrophobicContact CD2-CG2 3.74Å; L316-L467 HydrophobicContact CD2-CD1 4.31Å; L316-M537 HydrophobicContact CD1-CB 3.91Å; L316-M537 HydrophobicContact CD1-CE 3.49Å; L316-M537 VanDerWaalsContact CD1-CE 3.49Å; L316-M537 HydrophobicContact CD1-CG 4.15Å; L316-M537 HydrophobicContact CD2-CB 3.81Å; L316-M537 HydrophobicContact CD2-CG 4.44Å; L316-Y539 VanDerWaalsContact C-CD2 3.46Å; L316-Y539 WeakPolarHBondContact O-CA 3.38Å; L316-Y539 VanDerWaalsContact O-CD2 3.24Å; L316-Y539 WeakPolarHBondContact O-CD2 3.39Å; L316-H540 PolarHBondContact O-N 2.91Å
317	G	91.9	Very high	87.8	Confident	11 Å²	11	29 Å²	29	11%	0.113	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	12.9	177	0	0	0	0	0	115.6	S313 N314 G319 H540 T542	S313-G317 PolarHBondContact O-N 3.33Å; N314-G317 PolarHBondContact O-N 3.4Å; N314-G317 VanDerWaalsContact O-N 3.16Å; G317-G319 VanDerWaalsContact C-N 3.27Å; G317-G319 PolarHBondContact O-N 3.36Å; G317-H540 CarbonylContact C-O 3.39Å; G317-H540 VanDerWaalsContact C-O 3.28Å; G317-H540 WeakPolarHBondContact CA-O 3.36Å; G317-T542 PolarHBondContact O-OG1 3.01Å
318	W	92.6	Very high	88.4	Confident	29 Å²	29	28.5 Å²	28.5	11%	0.11	19%	0.193	C	C	.	.	S	Bend	trans	-87	2.5	176.8	-64.3	95.1	0	0	0	113.4	T302 S313 L316 N334 V335 A338 L538 H540	T302-W318 WeakPolarHBondContact OG1-CH2 3.48Å; T302-W318 WeakPolarHBondContact OG1-CZ2 3.22Å; S313-W318 PolarHBondContact O-N 3.27Å; S313-W318 VanDerWaalsContact OG-CB 3.27Å; S313-W318 WeakPolarHBondContact OG-CB 3.49Å; L316-W318 VanDerWaalsContact C-N 3.33Å; L316-W318 PolarHBondContact O-N 3.2Å; W318-N334 HydrophobicContact CH2-CB 4.2Å; W318-N334 HydrophobicContact CZ3-CB 3.79Å; W318-V335 HydrophobicContact CH2-CG2 3.83Å; W318-V335 HydrophobicContact CZ3-CG2 4.21Å; W318-A338 HydrophobicContact CH2-CB 4.11Å; W318-A338 HydrophobicContact CZ2-CB 3.82Å; W318-L538 HydrophobicContact CZ2-CB 4.11Å; W318-L538 PolarHBondContact NE1-O 3.25Å; W318-H540 HydrophobicContact CD2-CB 4.15Å; W318-H540 HydrophobicContact CE3-CB 4.33Å; W318-H540 HydrophobicContact CH2-CB 3.86Å; W318-H540 HydrophobicContact CZ2-CB 3.64Å; W318-H540 HydrophobicContact CZ3-CB 4.21Å
319	G	89.3	Confident	89.2	Confident	22 Å²	22	30.2 Å²	30.2	23%	0.227	20%	0.199	C	C	.	.			trans	84.8	174.8	175	0	0	0	0	0	115	S313 N314 G317 G321	S313-G319 WeakPolarHBondContact CB-O 3.42Å; S313-G319 PolarHBondContact OG-O 3.16Å; N314-G319 PolarHBondContact OD1-O 3.28Å; G317-G319 VanDerWaalsContact C-N 3.27Å; G317-G319 PolarHBondContact O-N 3.36Å; G319-G321 VanDerWaalsContact C-N 3.31Å; G319-G321 PolarHBondContact O-N 3.05Å
320	A	85.8	Confident	90.1	Very high	44 Å²	44	32.4 Å²	32.4	36%	0.364	20%	0.203	S	C	.	.	S	Bend	trans	-80.1	-12	-171.7	0	0	0	0	0	113.8	N310 N314	N310-A320 PolarHBondContact ND2-O 3.39Å; N314-A320 WeakPolarHBondContact OD1-CA 3.44Å; N314-A320 WeakPolarHBondContact OD1-CB 3.37Å; N314-A320 PolarHBondContact OD1-N 3.29Å
321	G	87.1	Confident	90.4	Very high	20 Å²	20	32.6 Å²	32.6	21%	0.206	20%	0.204	C	C	.	.			trans	162.3	166.8	174.7	0	0	0	0	0	113.4	P305 G319 R395	P305-G321 CarbonylContact O-C 3.47Å; P305-G321 VanDerWaalsContact O-CA 3.23Å; P305-G321 WeakPolarHBondContact O-CA 3.41Å; G319-G321 VanDerWaalsContact C-N 3.31Å; G319-G321 PolarHBondContact O-N 3.05Å; G321-R395 VanDerWaalsContact CA-NH1 3.33Å
322	Y	86.4	Confident	90.7	Very high	15 Å²	15	32.4 Å²	32.4	6%	0.059	20%	0.203	C	C	.	.			trans	-118	124.1	-177	176.9	-93.9	0	0	0	110.3	M228 L232 L304 P305 L306 I326 V331 R395	M228-Y322 HydrophobicContact CE-CD1 3.96Å; M228-Y322 HydrophobicContact CE-CE1 3.74Å; L232-Y322 HydrophobicContact CD1-CD1 4.28Å; L232-Y322 HydrophobicContact CD1-CE1 3.92Å; L232-Y322 HydrophobicContact CD2-CE1 3.78Å; L232-Y322 HydrophobicContact CG-CE1 4.22Å; L304-Y322 HydrophobicContact CD1-CD2 3.72Å; L304-Y322 HydrophobicContact CD1-CE2 4.2Å; L304-Y322 HydrophobicContact CD1-CG 3.97Å; L304-Y322 HydrophobicContact CD2-CD1 4.45Å; L304-Y322 HydrophobicContact CD2-CG 4.5Å; L304-Y322 HydrophobicContact CG-CD2 4.43Å; L304-Y322 HydrophobicContact CG-CG 4.23Å; P305-Y322 PolarHBondContact O-N 3.05Å; L306-Y322 HydrophobicContact CD2-CD1 3.68Å; L306-Y322 HydrophobicContact CD2-CG 4.3Å; Y322-I326 HydrophobicContact CE2-CB 4.23Å; Y322-I326 VanDerWaalsContact CE2-O 3.27Å; Y322-I326 WeakPolarHBondContact CE2-O 3.41Å; Y322-I326 PolarHBondContact OH-O 3.3Å; Y322-V331 HydrophobicContact CE2-CG2 4.49Å; Y322-R395 VanDerWaalsContact C-NH2 3.26Å; Y322-R395 PolarHBondContact O-NH2 3.3Å
323	A	83.1	Confident	90.8	Very high	60 Å²	60	36.1 Å²	36.1	50%	0.496	22%	0.217	S	C	.	.	S	Bend	trans	-114	11.5	175.6	0	0	0	0	0	113.9	M228 E325 R395	M228-A323 WeakPolarHBondContact CE-O 3.42Å; A323-E325 VanDerWaalsContact C-OE2 3.26Å; A323-E325 WeakPolarHBondContact CA-OE2 3.49Å; A323-E325 WeakPolarHBondContact CB-OE2 3.46Å; A323-E325 PolarHBondContact N-OE1 3.02Å; A323-E325 PolarHBondContact N-OE2 3.47Å; A323-R395 VanDerWaalsContact CB-NH2 3.27Å
324	G	83.1	Confident	90.9	Very high	41 Å²	41	37.3 Å²	37.3	42%	0.423	22%	0.223	S	C	.	.	S	Bend	trans	91	7.5	-177.7	0	0	0	0	0	113.9	I326	G324-I326 VanDerWaalsContact C-N 3.29Å; G324-I326 PolarHBondContact O-N 3.47Å
325	E	83.2	Confident	91.1	Very high	114 Å²	114	36.7 Å²	36.7	53%	0.533	22%	0.22	S	C	.	.			trans	-62	-32.9	174.9	50.9	-86.3	172.1	0	0	113.8	A323	A323-E325 VanDerWaalsContact C-OE2 3.26Å; A323-E325 WeakPolarHBondContact CA-OE2 3.49Å; A323-E325 WeakPolarHBondContact CB-OE2 3.46Å; A323-E325 PolarHBondContact N-OE1 3.02Å; A323-E325 PolarHBondContact N-OE2 3.47Å
326	I	87.8	Confident	91.2	Very high	67 Å²	67	38.8 Å²	38.8	34%	0.344	23%	0.23	S	C	.	.	S	Bend	trans	-107.7	124.4	-173.8	-64.3	164.1	0	0	0	109.5	Y322 G324 Q330 V331	Y322-I326 HydrophobicContact CE2-CB 4.23Å; Y322-I326 VanDerWaalsContact CE2-O 3.27Å; Y322-I326 WeakPolarHBondContact CE2-O 3.41Å; Y322-I326 PolarHBondContact OH-O 3.3Å; G324-I326 VanDerWaalsContact C-N 3.29Å; G324-I326 PolarHBondContact O-N 3.47Å; I326-Q330 HydrophobicContact CG2-CB 3.55Å; I326-Q330 HydrophobicContact CG2-CG 3.7Å; I326-V331 HydrophobicContact CG2-CG2 4.2Å
327	P	91.6	Very high	91.2	Very high	75 Å²	75	44.6 Å²	44.6	49%	0.487	26%	0.261	S	S	.	.			trans	-60.6	150.7	175.2	-22.7	33.1	0	0	0	112.9	E329 Q330 V331	P327-E329 VanDerWaalsContact CB-OE2 3.27Å; P327-E329 WeakPolarHBondContact CB-OE2 3.13Å; P327-E329 PolarHBondContact O-N 3.48Å; P327-E329 VanDerWaalsContact O-N 3.16Å; P327-Q330 WeakPolarHBondContact O-CB 3.48Å; P327-Q330 PolarHBondContact O-N 3.03Å; P327-V331 PolarHBondContact O-N 3.48Å
328	V	93.8	Very high	91.4	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-28.3	179.6	-67.6	0	0	0	0	113.2	L232 E235 F236 L239 Q330 V331 L332	L232-V328 HydrophobicContact CD2-CG1 3.72Å; E235-V328 HydrophobicContact CB-CB 4.38Å; E235-V328 HydrophobicContact CB-CG1 3.81Å; E235-V328 HydrophobicContact CB-CG2 3.69Å; F236-V328 HydrophobicContact CD1-CB 4.24Å; F236-V328 HydrophobicContact CD1-CG1 4.46Å; F236-V328 HydrophobicContact CD2-CG1 4.39Å; F236-V328 HydrophobicContact CE1-CB 3.89Å; F236-V328 HydrophobicContact CE1-CG1 4.11Å; F236-V328 HydrophobicContact CE2-CG1 4.04Å; F236-V328 HydrophobicContact CZ-CB 4.13Å; F236-V328 HydrophobicContact CZ-CG1 3.89Å; L239-V328 HydrophobicContact CD1-CG2 3.62Å; V328-Q330 VanDerWaalsContact C-N 3.29Å; V328-Q330 PolarHBondContact O-N 3.31Å; V328-V331 WeakPolarHBondContact O-CB 3.43Å; V328-V331 PolarHBondContact O-N 3.25Å; V328-L332 WeakPolarHBondContact O-CG 3.42Å; V328-L332 PolarHBondContact O-N 3.11Å
329	E	95	Very high	91.5	Very high	70 Å²	70	49.9 Å²	49.9	33%	0.327	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-43.6	173.8	-66	80.7	178.8	0	0	110.7	F178 L239 P327 L332 R333	F178-E329 HydrophobicContact CE2-CB 4.14Å; F178-E329 HydrophobicContact CE2-CG 4.06Å; F178-E329 HydrophobicContact CZ-CB 3.88Å; F178-E329 HydrophobicContact CZ-CG 4.32Å; F178-E329 WeakPolarHBondContact CZ-O 3.17Å; L239-E329 HydrophobicContact CD1-CG 3.8Å; L239-E329 HydrophobicContact CD2-CG 4.43Å; P327-E329 VanDerWaalsContact CB-OE2 3.27Å; P327-E329 WeakPolarHBondContact CB-OE2 3.13Å; P327-E329 PolarHBondContact O-N 3.48Å; P327-E329 VanDerWaalsContact O-N 3.16Å; E329-L332 PolarHBondContact O-N 3.27Å; E329-R333 WeakPolarHBondContact O-CG 3.39Å; E329-R333 PolarHBondContact O-N 2.91Å
330	Q	95.3	Very high	91.8	Very high	70 Å²	70	51.8 Å²	51.8	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-70.5	-35.4	178.4	-172.9	60.6	43.4	0	0	111.3	I326 P327 V328 L332 R333 N334	I326-Q330 HydrophobicContact CG2-CB 3.55Å; I326-Q330 HydrophobicContact CG2-CG 3.7Å; P327-Q330 WeakPolarHBondContact O-CB 3.48Å; P327-Q330 PolarHBondContact O-N 3.03Å; V328-Q330 VanDerWaalsContact C-N 3.29Å; V328-Q330 PolarHBondContact O-N 3.31Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.48Å; Q330-R333 PolarHBondContact O-N 3.36Å; Q330-R333 VanDerWaalsContact OE1-NH1 3.16Å; Q330-N334 PolarHBondContact NE2-OD1 3.39Å; Q330-N334 PolarHBondContact O-N 3.03Å; Q330-N334 PolarHBondContact O-OD1 3.38Å
331	V	95.7	Very high	92.3	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-44.2	171.4	178.6	0	0	0	0	110.8	F236 L271 L304 Y322 I326 P327 V328 N334 V335	F236-V331 HydrophobicContact CZ-CG1 4.34Å; L271-V331 HydrophobicContact CD2-CG1 4.03Å; L304-V331 HydrophobicContact CD1-CG1 4.16Å; L304-V331 HydrophobicContact CD1-CG2 4.01Å; Y322-V331 HydrophobicContact CE2-CG2 4.49Å; I326-V331 HydrophobicContact CG2-CG2 4.2Å; P327-V331 PolarHBondContact O-N 3.48Å; V328-V331 WeakPolarHBondContact O-CB 3.43Å; V328-V331 PolarHBondContact O-N 3.25Å; V331-N334 PolarHBondContact O-N 2.77Å; V331-V335 WeakPolarHBondContact O-CG2 3.26Å; V331-V335 PolarHBondContact O-N 2.92Å
332	L	96.9	Very high	92.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-36.2	177.7	-67.2	-179.8	0	0	0	112.9	F178 L181 V216 F236 L239 L240 V328 E329 Q330 V335 L336	F178-L332 HydrophobicContact CD1-CB 3.72Å; F178-L332 HydrophobicContact CD1-CD1 4.11Å; F178-L332 HydrophobicContact CD2-CD1 4.01Å; F178-L332 HydrophobicContact CE1-CB 3.53Å; F178-L332 HydrophobicContact CE1-CD1 4.34Å; F178-L332 HydrophobicContact CE2-CD1 4.25Å; F178-L332 HydrophobicContact CG-CB 4.41Å; F178-L332 HydrophobicContact CG-CD1 3.95Å; F178-L332 HydrophobicContact CZ-CB 4.08Å; F178-L332 HydrophobicContact CZ-CD1 4.42Å; L181-L332 HydrophobicContact CD1-CB 3.91Å; L181-L332 HydrophobicContact CD1-CD2 3.93Å; L181-L332 HydrophobicContact CD1-CG 4.35Å; V216-L332 HydrophobicContact CG1-CD2 4.2Å; F236-L332 HydrophobicContact CD1-CD2 4.25Å; F236-L332 HydrophobicContact CE1-CD2 3.89Å; F236-L332 HydrophobicContact CE1-CG 4.13Å; L239-L332 HydrophobicContact CB-CD1 4.32Å; L239-L332 HydrophobicContact CD1-CD1 3.84Å; L240-L332 HydrophobicContact CD1-CD2 4.46Å; L240-L332 HydrophobicContact CD2-CD1 4.2Å; L240-L332 HydrophobicContact CG-CD1 4.5Å; V328-L332 WeakPolarHBondContact O-CG 3.42Å; V328-L332 PolarHBondContact O-N 3.11Å; E329-L332 PolarHBondContact O-N 3.27Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.48Å; L332-V335 PolarHBondContact O-N 2.88Å; L332-L336 PolarHBondContact O-N 2.69Å; L332-L336 VanDerWaalsContact O-N 3.11Å
333	R	96.6	Very high	93.3	Very high	81 Å²	81	54.6 Å²	54.6	31%	0.306	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-49	171.7	-69.6	177.1	-168.7	119.9	12.6	111.4	E177 F178 E329 Q330 V335 L336 D337	E177-R333 IonicContact OE1-CZ 3.84Å; E177-R333 IonicContact OE1-NE 3.83Å; E177-R333 PolarHBondContact OE1-NE 3Å; E177-R333 IonicContact OE1-NH2 2.94Å; E177-R333 PolarHBondContact OE1-NH2 3.47Å; E177-R333 IonicContact OE2-CZ 3Å; E177-R333 IonicContact OE2-NE 3.76Å; E177-R333 IonicContact OE2-NH2 3.8Å; E177-R333 PolarHBondContact OE2-NH2 2.79Å; F178-R333 HydrophobicContact CE1-CG 4Å; F178-R333 HydrophobicContact CZ-CG 4.39Å; E329-R333 WeakPolarHBondContact O-CG 3.39Å; E329-R333 PolarHBondContact O-N 2.91Å; Q330-R333 PolarHBondContact O-N 3.36Å; Q330-R333 VanDerWaalsContact OE1-NH1 3.16Å; R333-V335 PolarHBondContact O-N 3.19Å; R333-V335 VanDerWaalsContact O-N 3.17Å; R333-L336 WeakPolarHBondContact O-CA 3.22Å; R333-L336 WeakPolarHBondContact O-CB 3.32Å; R333-L336 PolarHBondContact O-N 3.02Å; R333-D337 PolarHBondContact O-N 2.87Å
334	N	95.5	Very high	93.9	Very high	24 Å²	24	51.7 Å²	51.7	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-57.8	-34	176.7	-63.8	6.9	0	0	0	111.5	W318 Q330 V331 D337 A338 H540	W318-N334 HydrophobicContact CH2-CB 4.2Å; W318-N334 HydrophobicContact CZ3-CB 3.79Å; Q330-N334 PolarHBondContact NE2-OD1 3.39Å; Q330-N334 PolarHBondContact O-N 3.03Å; Q330-N334 PolarHBondContact O-OD1 3.38Å; V331-N334 PolarHBondContact O-N 2.77Å; N334-D337 PolarHBondContact O-N 3.23Å; N334-A338 WeakPolarHBondContact O-CB 3.08Å; N334-A338 PolarHBondContact O-N 3.31Å; N334-A338 VanDerWaalsContact O-N 3.11Å; N334-H540 PolarHBondContact O-CD2 3.12Å; N334-H540 VanDerWaalsContact O-CD2 3.3Å
335	V	95.9	Very high	94.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-32.5	174.6	172.4	0	0	0	0	113.1	V216 T302 W318 V331 L332 R333 L538	V216-V335 HydrophobicContact CG2-CG1 4.48Å; T302-V335 HydrophobicContact CG2-CG1 4.47Å; T302-V335 HydrophobicContact CG2-CG2 4Å; W318-V335 HydrophobicContact CH2-CG2 3.83Å; W318-V335 HydrophobicContact CZ3-CG2 4.21Å; V331-V335 WeakPolarHBondContact O-CG2 3.26Å; V331-V335 PolarHBondContact O-N 2.92Å; L332-V335 PolarHBondContact O-N 2.88Å; R333-V335 PolarHBondContact O-N 3.19Å; R333-V335 VanDerWaalsContact O-N 3.17Å; V335-L538 HydrophobicContact CG1-CD1 4.13Å
336	L	94.6	Very high	95.3	Very high	65 Å²	65	44.3 Å²	44.3	34%	0.34	23%	0.226	S	C	.	.	H	α-helix	trans	-69.9	-37.4	174.4	-73.2	165.5	0	0	0	111.9	F178 S180 L181 L332 R333 A338	F178-L336 HydrophobicContact CD1-CD1 4.23Å; S180-L336 WeakPolarHBondContact OG-CD2 3.48Å; L181-L336 HydrophobicContact CD1-CD1 4.27Å; L181-L336 HydrophobicContact CD1-CD2 4.25Å; L181-L336 HydrophobicContact CD1-CG 4.01Å; L181-L336 HydrophobicContact CD2-CD2 3.52Å; L181-L336 HydrophobicContact CD2-CG 4.11Å; L181-L336 HydrophobicContact CG-CD1 4.48Å; L181-L336 HydrophobicContact CG-CD2 3.81Å; L181-L336 HydrophobicContact CG-CG 4.13Å; L332-L336 PolarHBondContact O-N 2.69Å; L332-L336 VanDerWaalsContact O-N 3.11Å; R333-L336 WeakPolarHBondContact O-CA 3.22Å; R333-L336 WeakPolarHBondContact O-CB 3.32Å; R333-L336 PolarHBondContact O-N 3.02Å; L336-A338 VanDerWaalsContact C-N 3.35Å
337	D	94.6	Very high	95.8	Very high	121 Å²	121	44.3 Å²	44.3	65%	0.647	22%	0.224	S	C	*	.	H	α-helix	trans	-84.9	-9.2	-177.3	-62.6	-26.9	0	0	0	113.2	R333 N334	R333-D337 PolarHBondContact O-N 2.87Å; N334-D337 PolarHBondContact O-N 3.23Å
338	A	95.9	Very high	96.1	Very high	16 Å²	16	40.8 Å²	40.8	13%	0.132	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-72.9	145.5	-175.4	0	0	0	0	0	113.8	W318 N334 L336 L538 Y539 H540	W318-A338 HydrophobicContact CH2-CB 4.11Å; W318-A338 HydrophobicContact CZ2-CB 3.82Å; N334-A338 WeakPolarHBondContact O-CB 3.08Å; N334-A338 PolarHBondContact O-N 3.31Å; N334-A338 VanDerWaalsContact O-N 3.11Å; L336-A338 VanDerWaalsContact C-N 3.35Å; A338-L538 HydrophobicContact CB-CB 3.87Å; A338-L538 HydrophobicContact CB-CD1 4.36Å; A338-Y539 CarbonylContact C-O 3.28Å; A338-Y539 WeakPolarHBondContact CA-O 3.21Å; A338-Y539 WeakPolarHBondContact CB-O 3.4Å; A338-H540 HydrophobicContact CB-CB 4.4Å
339	E	95.3	Very high	96.3	Very high	135 Å²	135	43.7 Å²	43.7	63%	0.631	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	151.2	178.8	-62.7	-168.8	160.9	0	0	111.9	L538 Y539	E339-L538 CarbonylContact O-C 3.48Å; E339-L538 VanDerWaalsContact O-CA 3.25Å; E339-L538 WeakPolarHBondContact O-CA 3.27Å; E339-Y539 PolarHBondContact N-O 3.27Å; E339-Y539 PolarHBondContact O-N 3.02Å
340	V	95.6	Very high	96.3	Very high	63 Å²	63	40.6 Å²	40.6	38%	0.382	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.6	177.6	-173.8	0	0	0	0	109.8	R300 F536 M537 L538	R300-V340 HydrophobicContact CG-CG1 4.4Å; R300-V340 HydrophobicContact CG-CG2 4.47Å; V340-F536 HydrophobicContact CG1-CB 4.06Å; V340-F536 HydrophobicContact CG1-CD1 3.92Å; V340-F536 HydrophobicContact CG1-CG 4.36Å; V340-M537 WeakPolarHBondContact CA-O 3.33Å; V340-L538 HydrophobicContact CG2-CD2 3.86Å
341	V	96.1	Very high	96.2	Very high	39 Å²	39	39 Å²	39	24%	0.236	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	155.7	173.5	-60	0	0	0	0	110.4	L316 L467 F536 M537 Y539	L316-V341 HydrophobicContact CD2-CG2 3.74Å; V341-L467 HydrophobicContact CG2-CD1 4.49Å; V341-F536 WeakPolarHBondContact O-CA 3.23Å; V341-M537 HydrophobicContact CG2-CB 4.03Å; V341-M537 PolarHBondContact N-O 2.93Å; V341-M537 PolarHBondContact O-N 3.29Å; V341-Y539 HydrophobicContact CG1-CG 4.4Å
342	K	96.3	Very high	95.7	Very high	98 Å²	98	41.6 Å²	41.6	43%	0.426	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	149.6	171.2	-68.8	179.4	179.3	-178.8	0	109.2	L467 D468 T535 F536	K342-L467 WeakPolarHBondContact O-CD1 3.48Å; K342-D468 HydrophobicContact CB-CB 4.29Å; K342-D468 WeakPolarHBondContact O-CB 3.46Å; K342-T535 CarbonylContact C-O 3.25Å; K342-T535 WeakPolarHBondContact CA-O 3.18Å; K342-F536 HydrophobicContact CD-CE1 4.46Å; K342-F536 HydrophobicContact CG-CD1 4.06Å; K342-F536 HydrophobicContact CG-CE1 3.89Å
343	M	96.8	Very high	94.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127	171.3	-174.4	-178.1	73.4	0	0	110.4	L283 L312 R345 N366 L467 Q534 T535 M537	L283-M343 HydrophobicContact CD1-CE 3.74Å; L312-M343 HydrophobicContact CD1-CE 4.37Å; L312-M343 HydrophobicContact CD1-SD 3.38Å; L312-M343 WeakPolarHBondContact CD1-SD 3.37Å; L312-M343 HydrophobicContact CD2-CE 4.42Å; L312-M343 HydrophobicContact CD2-SD 4.44Å; M343-R345 HydrophobicContact CE-CG 4.31Å; M343-N366 HydrophobicContact CE-CB 4.27Å; M343-L467 CarbonylContact C-O 3.57Å; M343-L467 VanDerWaalsContact CA-O 3.32Å; M343-L467 WeakPolarHBondContact CA-O 3.5Å; M343-L467 HydrophobicContact CB-CD1 3.65Å; M343-L467 HydrophobicContact CG-CB 4.32Å; M343-L467 HydrophobicContact CG-CD1 3.77Å; M343-Q534 CarbonylContact O-C 3.58Å; M343-Q534 VanDerWaalsContact O-CA 3.31Å; M343-Q534 WeakPolarHBondContact O-CA 3.15Å; M343-T535 HydrophobicContact CB-CG2 4.01Å; M343-T535 HydrophobicContact CE-CG2 3.69Å; M343-T535 PolarHBondContact N-O 2.89Å; M343-T535 PolarHBondContact O-N 3.45Å; M343-M537 HydrophobicContact CB-CG 3.69Å; M343-M537 HydrophobicContact CE-CG 4.22Å; M343-M537 HydrophobicContact CE-SD 4.07Å; M343-M537 HydrophobicContact SD-CG 4.19Å
344	D	97.5	Very high	93	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	140.3	171.7	-66.2	-43.4	0	0	0	110.5	W346 N443 L467 D468 D469 G470 H531 Q534	D344-W346 HydrophobicContact CB-CZ2 4.37Å; D344-N443 PolarHBondContact O-ND2 3.33Å; D344-L467 PolarHBondContact N-O 3.17Å; D344-D468 VanDerWaalsContact OD2-CA 3.22Å; D344-D468 WeakPolarHBondContact OD2-CA 3.37Å; D344-D469 PolarHBondContact OD2-N 2.83Å; D344-D469 VanDerWaalsContact OD2-N 3.14Å; D344-G470 VanDerWaalsContact OD2-CA 3.3Å; D344-G470 WeakPolarHBondContact OD2-CA 3.41Å; D344-G470 PolarHBondContact OD2-N 2.82Å; D344-H531 IonicContact OD1-CD2 3.45Å; D344-H531 IonicContact OD1-NE2 3.65Å; D344-Q534 WeakPolarHBondContact OD1-CG 3.32Å; D344-Q534 PolarHBondContact OD1-NE2 3.38Å
345	R	97.1	Very high	91.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.6	173.8	-59.1	-173	63.6	-159.1	-2.2	108.4	L283 D284 D287 M343 N366 K532 T533 T535	L283-R345 VanDerWaalsContact CB-CZ 3.48Å; L283-R345 PolarHBondContact O-NH1 3.18Å; D284-R345 IonicContact OD1-CZ 3.78Å; D284-R345 IonicContact OD1-NH2 2.65Å; D284-R345 PolarHBondContact OD1-NH2 3.29Å; D287-R345 IonicContact OD1-CZ 2.67Å; D287-R345 IonicContact OD1-NH1 2.75Å; D287-R345 PolarHBondContact OD1-NH1 2.83Å; D287-R345 IonicContact OD2-CZ 3.52Å; D287-R345 IonicContact OD2-NH1 3.78Å; D287-R345 PolarHBondContact OD2-NH1 3.08Å; D287-R345 IonicContact OD2-NH2 3.65Å; M343-R345 HydrophobicContact CE-CG 4.31Å; R345-N366 PolarHBondContact NE-OD1 3.33Å; R345-N366 PolarHBondContact NH2-OD1 3.09Å; R345-K532 WeakPolarHBondContact O-CA 3.15Å; R345-K532 WeakPolarHBondContact O-CB 3.21Å; R345-K532 PolarHBondContact O-N 2.94Å; R345-T533 WeakPolarHBondContact CA-O 3.26Å; R345-T533 HydrophobicContact CB-CG2 4.05Å; R345-T533 WeakPolarHBondContact CB-O 3.16Å; R345-T533 HydrophobicContact CG-CG2 4.46Å; R345-T533 PolarHBondContact N-O 2.73Å; R345-T533 PolarHBondContact O-N 3.43Å; R345-T535 HydrophobicContact CG-CG2 4.2Å
346	W	98	Very high	89.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146	-168.7	-62.4	87.2	0	0	0	111.2	D344 S364 M365 N443 G470 L471 L472 H500 I529 H531	D344-W346 HydrophobicContact CB-CZ2 4.37Å; W346-S364 CarbonylContact O-C 3.55Å; W346-S364 WeakPolarHBondContact O-CA 2.99Å; W346-M365 HydrophobicContact CB-CB 4.13Å; W346-M365 HydrophobicContact CB-CE 3.78Å; W346-M365 HydrophobicContact CG-CE 3.88Å; W346-M365 PolarHBondContact N-O 2.95Å; W346-M365 PolarHBondContact O-N 2.93Å; W346-N443 PolarHBondContact NE1-OD1 3.27Å; W346-G470 VanDerWaalsContact CH2-O 3.28Å; W346-G470 WeakPolarHBondContact CH2-O 3.49Å; W346-L471 WeakPolarHBondContact CZ2-O 3.47Å; W346-L472 HydrophobicContact CD2-CD1 3.78Å; W346-L472 HydrophobicContact CD2-CD2 3.67Å; W346-L472 HydrophobicContact CD2-CG 3.78Å; W346-L472 VanDerWaalsContact CE2-CD2 3.46Å; W346-L472 HydrophobicContact CE3-CD1 3.41Å; W346-L472 VanDerWaalsContact CE3-CD1 3.41Å; W346-L472 HydrophobicContact CE3-CD2 4.19Å; W346-L472 HydrophobicContact CE3-CG 3.78Å; W346-L472 HydrophobicContact CG-CD1 4.5Å; W346-L472 HydrophobicContact CG-CD2 3.99Å; W346-L472 HydrophobicContact CH2-CD1 3.99Å; W346-L472 HydrophobicContact CH2-CD2 4.33Å; W346-L472 HydrophobicContact CH2-CG 3.59Å; W346-L472 HydrophobicContact CZ2-CD1 4.33Å; W346-L472 HydrophobicContact CZ2-CD2 3.84Å; W346-L472 HydrophobicContact CZ2-CG 3.59Å; W346-L472 HydrophobicContact CZ3-CD1 3.52Å; W346-L472 HydrophobicContact CZ3-CD2 4.49Å; W346-L472 HydrophobicContact CZ3-CG 3.69Å; W346-H500 WeakPolarHBondContact CZ3-O 3.2Å; W346-I529 HydrophobicContact CB-CG2 4.07Å; W346-I529 HydrophobicContact CE3-CG2 4.26Å; W346-H531 HydrophobicContact CE3-CB 4.29Å; W346-H531 VanDerWaalsContact CE3-N 3.3Å; W346-H531 HydrophobicContact CH2-CB 4.37Å; W346-H531 HydrophobicContact CZ3-CB 4.01Å
347	K	97.8	Very high	88	Confident	67 Å²	67	66 Å²	66	29%	0.291	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.9	176.2	179.6	-173	168.2	-164.8	0	107.9	V362 I529 T530 K532	K347-V362 HydrophobicContact CD-CG1 4.15Å; K347-V362 HydrophobicContact CG-CG1 3.73Å; K347-I529 WeakPolarHBondContact O-CA 3.44Å; K347-T530 PolarHBondContact N-O 3.49Å; K347-T530 PolarHBondContact O-N 2.87Å; K347-K532 HydrophobicContact CB-CB 3.97Å; K347-K532 HydrophobicContact CB-CG 4.2Å
348	V	98.1	Very high	86.9	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.2	173.7	-176.8	0	0	0	0	108.3	V350 V362 L363 M365 F369 V515 I527 I529	V348-V350 HydrophobicContact CG1-CG2 4.36Å; V348-V362 WeakPolarHBondContact O-CA 3.36Å; V348-L363 HydrophobicContact CB-CB 4.26Å; V348-L363 PolarHBondContact N-O 3.15Å; V348-L363 PolarHBondContact O-N 3.39Å; V348-M365 HydrophobicContact CG2-CB 3.72Å; V348-M365 HydrophobicContact CG2-SD 4.08Å; V348-F369 HydrophobicContact CG1-CD2 4.35Å; V348-V515 HydrophobicContact CB-CG2 4.5Å; V348-V515 HydrophobicContact CG1-CG2 4.35Å; V348-V515 HydrophobicContact CG2-CG2 4.2Å; V348-I527 HydrophobicContact CG1-CG2 3.79Å; V348-I529 HydrophobicContact CG1-CG1 4.31Å; V348-I529 HydrophobicContact CG2-CD1 4.44Å; V348-I529 HydrophobicContact CG2-CG1 4.15Å; V348-I529 HydrophobicContact CG2-CG2 4.18Å
349	Q	97.1	Very high	86.1	Confident	63 Å²	63	78 Å²	78	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.4	178.6	-174.3	171.4	-55.6	0	0	110.3	P360 V362 I527 T528	Q349-P360 HydrophobicContact CG-CB 3.81Å; Q349-V362 HydrophobicContact CG-CG2 4.32Å; Q349-I527 CarbonylContact O-C 3.47Å; Q349-I527 VanDerWaalsContact O-CA 3.29Å; Q349-I527 WeakPolarHBondContact O-CA 3.3Å; Q349-T528 PolarHBondContact N-O 3.34Å; Q349-T528 PolarHBondContact O-N 2.9Å
350	V	95.2	Very high	85.6	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.024	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.4	179.7	-172.1	0	0	0	0	109.7	V348 P360 K361 W520 C525 I527	V348-V350 HydrophobicContact CG1-CG2 4.36Å; V350-P360 WeakPolarHBondContact O-CA 3.48Å; V350-K361 HydrophobicContact CB-CB 4.3Å; V350-K361 PolarHBondContact N-O 3.47Å; V350-K361 PolarHBondContact O-N 3.49Å; V350-W520 HydrophobicContact CG2-CZ2 4.38Å; V350-C525 HydrophobicContact CG1-CB 3.99Å; V350-I527 HydrophobicContact CG1-CG1 4.35Å; V350-I527 HydrophobicContact CG2-CG1 4.32Å
351	A	93	Very high	85.4	Confident	37 Å²	37	76.1 Å²	76.1	31%	0.306	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105.9	176.9	0	0	0	0	0	110.4	C525 T526	A351-C525 CarbonylContact O-C 3.49Å; A351-C525 VanDerWaalsContact O-CA 3.24Å; A351-C525 WeakPolarHBondContact O-CA 3.34Å; A351-C525 WeakPolarHBondContact O-CB 3.38Å; A351-T526 PolarHBondContact N-O 3.18Å; A351-T526 PolarHBondContact O-N 2.8Å
352	S	85.4	Confident	85.3	Confident	61 Å²	61	78 Å²	78	43%	0.427	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.6	179.2	-58.9	0	0	0	0	111.9
353	K	72.4	Confident	85.3	Confident	109 Å²	109	75.5 Å²	75.5	47%	0.474	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	136.8	174.9	-71.4	-176.9	175.9	175.2	0	110.2	P524	K353-P524 PolarHBondContact N-O 2.97Å
354	G	64.8	Low	85.2	Confident	68 Å²	68	76.6 Å²	76.6	70%	0.701	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-0.1	169.1	0	0	0	0	0	117.2
355	V	62.3	Low	85.2	Confident	78 Å²	78	76.6 Å²	76.6	47%	0.473	38%	0.383	S	S	.	.			trans	-121.5	78.2	176.4	-164.4	0	0	0	0	110.3	F357 R358	V355-F357 PolarHBondContact O-N 3.49Å; V355-R358 HydrophobicContact CB-CB 4.17Å; V355-R358 HydrophobicContact CG1-CB 3.73Å; V355-R358 PolarHBondContact O-N 3.17Å; V355-R358 VanDerWaalsContact O-N 3.09Å
356	Y	56.2	Low	85.2	Confident	222 Å²	222	76.9 Å²	76.9	87%	0.871	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-16.2	-175.2	-70.5	-82.4	0	0	0	115.2
357	F	62.5	Low	85.1	Confident	206 Å²	206	77 Å²	77	90%	0.904	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-3	-178.3	-63.2	-74.6	0	0	0	114.9	V355	V355-F357 PolarHBondContact O-N 3.49Å
358	R	70.8	Confident	85	Confident	197 Å²	197	74.7 Å²	74.7	74%	0.743	38%	0.375	S	S	*	.	S	Bend	trans	-93.1	120.8	-178.1	-151.9	173.7	-170	170.9	1.6	109.9	V355	V355-R358 HydrophobicContact CB-CB 4.17Å; V355-R358 HydrophobicContact CG1-CB 3.73Å; V355-R358 PolarHBondContact O-N 3.17Å; V355-R358 VanDerWaalsContact O-N 3.09Å
359	K	79.3	Confident	84.9	Confident	191 Å²	191	74.7 Å²	74.7	83%	0.83	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-57.2	139	174	-69.7	-174.1	179.4	-178.4	0	109.9
360	P	86	Confident	84.9	Confident	62 Å²	62	71.7 Å²	71.7	40%	0.403	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-55.4	140.1	175.3	-23.9	32.9	0	0	0	111.4	Q349 V350	Q349-P360 HydrophobicContact CG-CB 3.81Å; V350-P360 WeakPolarHBondContact O-CA 3.48Å
361	K	91.6	Very high	84.9	Confident	96 Å²	96	71.6 Å²	71.6	42%	0.417	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.6	171.3	-176.9	-177.1	177.3	-169.9	0	107.5	V350 L363	V350-K361 HydrophobicContact CB-CB 4.3Å; V350-K361 PolarHBondContact N-O 3.47Å; V350-K361 PolarHBondContact O-N 3.49Å; K361-L363 HydrophobicContact CG-CG 4.39Å
362	V	94	Very high	84.9	Confident	78 Å²	78	69.9 Å²	69.9	47%	0.473	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.1	179	-179.5	0	0	0	0	108.3	K347 V348 Q349	K347-V362 HydrophobicContact CD-CG1 4.15Å; K347-V362 HydrophobicContact CG-CG1 3.73Å; V348-V362 WeakPolarHBondContact O-CA 3.36Å; Q349-V362 HydrophobicContact CG-CG2 4.32Å
363	L	95	Very high	85.2	Confident	46 Å²	46	67.1 Å²	67.1	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.6	178.4	-61.4	169.7	0	0	0	109.7	V348 K361 V515 W520	V348-L363 HydrophobicContact CB-CB 4.26Å; V348-L363 PolarHBondContact N-O 3.15Å; V348-L363 PolarHBondContact O-N 3.39Å; K361-L363 HydrophobicContact CG-CG 4.39Å; L363-V515 HydrophobicContact CD1-CB 4.49Å; L363-V515 HydrophobicContact CD1-CG2 4Å; L363-W520 HydrophobicContact CD1-CH2 3.97Å; L363-W520 HydrophobicContact CD1-CZ3 4.06Å
364	S	96.1	Very high	86	Confident	24 Å²	24	62.7 Å²	62.7	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	139.5	166.3	-57.8	0	0	0	0	109	D284 W346 V515 K532	D284-S364 VanDerWaalsContact OD1-CB 3.31Å; D284-S364 WeakPolarHBondContact OD1-CB 3.29Å; D284-S364 PolarHBondContact OD1-OG 3.43Å; W346-S364 CarbonylContact O-C 3.55Å; W346-S364 WeakPolarHBondContact O-CA 2.99Å; S364-V515 WeakPolarHBondContact O-CG1 3.32Å; S364-K532 PolarHBondContact OG-NZ 2.94Å
365	M	97.1	Very high	87.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.4	173.1	177.1	-175.6	97.3	0	0	109	W346 V348 Y368 F369 V441 N443 L472 V515 I529	W346-M365 HydrophobicContact CB-CB 4.13Å; W346-M365 HydrophobicContact CB-CE 3.78Å; W346-M365 HydrophobicContact CG-CE 3.88Å; W346-M365 PolarHBondContact N-O 2.95Å; W346-M365 PolarHBondContact O-N 2.93Å; V348-M365 HydrophobicContact CG2-CB 3.72Å; V348-M365 HydrophobicContact CG2-SD 4.08Å; M365-Y368 VanDerWaalsContact SD-C 3.52Å; M365-F369 HydrophobicContact SD-CB 3.47Å; M365-F369 WeakPolarHBondContact SD-CB 3.5Å; M365-F369 PolarHBondContact SD-N 2.8Å; M365-V441 HydrophobicContact CE-CG1 4.48Å; M365-N443 HydrophobicContact CE-CB 4.48Å; M365-L472 HydrophobicContact CE-CD1 4.35Å; M365-L472 HydrophobicContact CE-CD2 3.48Å; M365-L472 VanDerWaalsContact CE-CD2 3.48Å; M365-V515 HydrophobicContact CB-CG1 3.69Å; M365-V515 HydrophobicContact CG-CG1 4.01Å; M365-I529 HydrophobicContact CE-CG2 4.01Å; M365-I529 HydrophobicContact SD-CG2 4.49Å
366	N	96.2	Very high	88.6	Confident	5 Å²	5	56 Å²	56	3%	0.027	25%	0.253	C	S	.	.	S	Bend	trans	-115.8	-29.7	179.4	-43.5	-76.7	0	0	0	111.2	M343 R345 N443 D516	M343-N366 HydrophobicContact CE-CB 4.27Å; R345-N366 PolarHBondContact NE-OD1 3.33Å; R345-N366 PolarHBondContact NH2-OD1 3.09Å; N366-N443 PolarHBondContact O-ND2 2.99Å; N366-D516 PolarHBondContact N-OD1 3.24Å; N366-D516 PolarHBondContact N-OD2 3.27Å; N366-D516 PolarHBondContact ND2-OD2 3.3Å
367	N	95.4	Very high	90	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	21%	0.213	C	C	.	.	S	Bend	trans	-109.5	-71.4	-176	-62.3	7.7	0	0	0	110	D276 N443 I444 D516	D276-N367 PolarHBondContact OD1-ND2 2.99Å; N367-N443 WeakPolarHBondContact O-CB 3.41Å; N367-N443 PolarHBondContact O-N 3.4Å; N367-I444 HydrophobicContact CB-CD1 3.65Å; N367-I444 HydrophobicContact CB-CG1 4.14Å; N367-D516 WeakPolarHBondContact CA-OD1 3.5Å; N367-D516 WeakPolarHBondContact CB-OD1 3.37Å; N367-D516 PolarHBondContact N-OD1 2.94Å
368	Y	95.7	Very high	91.2	Very high	18 Å²	18	36.2 Å²	36.2	7%	0.071	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	155.5	-176.8	59.7	-90.2	0	0	0	112.8	M365 I440 V441 W447 G448 D516	M365-Y368 VanDerWaalsContact SD-C 3.52Å; Y368-I440 HydrophobicContact CD2-CG2 4.15Å; Y368-V441 CarbonylContact C-O 3.55Å; Y368-V441 WeakPolarHBondContact CA-O 3.38Å; Y368-V441 VanDerWaalsContact CB-O 3.25Å; Y368-V441 WeakPolarHBondContact CB-O 3.2Å; Y368-W447 AromaticContact CD2-CD1 3.71Å; Y368-W447 AromaticContact CE1-CD1 3.84Å; Y368-W447 AromaticContact CE2-CD1 3.39Å; Y368-W447 AromaticContact CE2-NE1 3.61Å; Y368-W447 AromaticContact CZ-CD1 3.47Å; Y368-W447 VanDerWaalsContact CZ-CD1 3.47Å; Y368-W447 AromaticContact CZ-NE1 3.94Å; Y368-G448 PolarHBondContact OH-N 2.96Å; Y368-D516 PolarHBondContact N-OD1 3.46Å; Y368-D516 VanDerWaalsContact N-OD1 3.1Å; Y368-D516 PolarHBondContact O-N 3.23Å
369	F	97.5	Very high	91.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	146	168.9	164.4	-88.8	0	0	0	108.7	V348 M365 V371 I440 V441 L504 M513 Q514 V515 W520 I527 I529	V348-F369 HydrophobicContact CG1-CD2 4.35Å; M365-F369 HydrophobicContact SD-CB 3.47Å; M365-F369 WeakPolarHBondContact SD-CB 3.5Å; M365-F369 PolarHBondContact SD-N 2.8Å; F369-V371 HydrophobicContact CE1-CB 4.35Å; F369-V371 HydrophobicContact CE1-CG1 4.33Å; F369-V371 HydrophobicContact CZ-CB 4.32Å; F369-I440 CarbonylContact O-C 3.59Å; F369-I440 WeakPolarHBondContact O-CA 3.19Å; F369-V441 HydrophobicContact CB-CB 4.4Å; F369-V441 HydrophobicContact CD1-CB 4.4Å; F369-V441 HydrophobicContact CD1-CG2 4.13Å; F369-V441 PolarHBondContact N-O 3.34Å; F369-V441 PolarHBondContact O-N 3.37Å; F369-L504 HydrophobicContact CD1-CD1 4.17Å; F369-L504 HydrophobicContact CE1-CD1 3.55Å; F369-L504 HydrophobicContact CZ-CD1 4.31Å; F369-M513 HydrophobicContact CE2-CB 4.18Å; F369-M513 HydrophobicContact CE2-CG 4.48Å; F369-M513 HydrophobicContact CE2-SD 4.28Å; F369-M513 HydrophobicContact CZ-CB 4.41Å; F369-M513 HydrophobicContact CZ-CG 4.25Å; F369-M513 HydrophobicContact CZ-SD 4.03Å; F369-Q514 WeakPolarHBondContact CA-O 3.21Å; F369-Q514 WeakPolarHBondContact CD2-O 3.48Å; F369-V515 HydrophobicContact CB-CG2 4.38Å; F369-V515 HydrophobicContact CD2-CG2 3.66Å; F369-W520 HydrophobicContact CD2-CH2 4.32Å; F369-W520 AromaticContact CE2-CH2 3.91Å; F369-W520 HydrophobicContact CE2-CH2 3.91Å; F369-W520 HydrophobicContact CE2-CZ2 4.35Å; F369-I527 HydrophobicContact CE1-CD1 4.5Å; F369-I527 HydrophobicContact CE2-CD1 4.11Å; F369-I527 HydrophobicContact CZ-CD1 3.6Å; F369-I529 HydrophobicContact CB-CD1 3.9Å; F369-I529 HydrophobicContact CD1-CD1 3.86Å; F369-I529 HydrophobicContact CG-CD1 3.9Å
370	S	96.1	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.2	169.3	70.6	0	0	0	0	113.5	D374 A375 I439 M513 Q514	S370-D374 WeakPolarHBondContact CB-OD2 3.18Å; S370-D374 PolarHBondContact OG-OD2 3.06Å; S370-A375 PolarHBondContact OG-N 2.79Å; S370-I439 VanDerWaalsContact CA-O 3.31Å; S370-I439 WeakPolarHBondContact CA-O 3Å; S370-M513 CarbonylContact O-C 3.51Å; S370-M513 VanDerWaalsContact O-CA 3.26Å; S370-M513 WeakPolarHBondContact O-CA 3.37Å; S370-Q514 PolarHBondContact N-O 3.38Å; S370-Q514 PolarHBondContact O-N 3.03Å; S370-Q514 VanDerWaalsContact OG-CG 3.23Å; S370-Q514 WeakPolarHBondContact OG-CG 3.35Å; S370-Q514 PolarHBondContact OG-NE2 2.86Å
371	V	95.9	Very high	92	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.1	170.7	56.3	0	0	0	0	108.5	F369 L418 I422 G438 I439 M511 P512 M513	F369-V371 HydrophobicContact CE1-CB 4.35Å; F369-V371 HydrophobicContact CE1-CG1 4.33Å; F369-V371 HydrophobicContact CZ-CB 4.32Å; V371-L418 HydrophobicContact CG1-CD2 4.31Å; V371-L418 HydrophobicContact CG2-CD1 4.43Å; V371-I422 HydrophobicContact CG1-CD1 4.06Å; V371-G438 CarbonylContact O-C 3.53Å; V371-G438 WeakPolarHBondContact O-CA 3.39Å; V371-I439 HydrophobicContact CG1-CB 3.92Å; V371-I439 PolarHBondContact N-O 2.97Å; V371-I439 PolarHBondContact O-N 2.93Å; V371-M511 HydrophobicContact CG2-CB 3.94Å; V371-M511 HydrophobicContact CG2-CE 4.47Å; V371-P512 WeakPolarHBondContact CA-O 3.29Å; V371-M513 HydrophobicContact CB-CE 4.48Å; V371-M513 HydrophobicContact CB-CG 4.01Å; V371-M513 HydrophobicContact CG2-CE 3.91Å; V371-M513 HydrophobicContact CG2-CG 3.91Å
372	G	93.7	Very high	91.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	106.9	-146.5	179.9	0	0	0	0	0	113.8	D374 A375 L376 C415 P512	G372-D374 PolarHBondContact O-N 2.99Å; G372-A375 PolarHBondContact O-N 3.47Å; G372-L376 PolarHBondContact O-N 3.16Å; G372-C415 VanDerWaalsContact C-SG 3.57Å; G372-P512 PolarHBondContact N-O 2.97Å; G372-P512 VanDerWaalsContact N-O 3.13Å
373	P	89.9	Confident	91	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-55.2	-42.1	-170.2	-28.7	33.1	0	0	0	115.2	L376 M377 C415 E437	P373-L376 WeakPolarHBondContact O-CB 3.13Å; P373-L376 PolarHBondContact O-N 2.9Å; P373-M377 VanDerWaalsContact O-CG 3.32Å; P373-M377 WeakPolarHBondContact O-CG 3.4Å; P373-M377 PolarHBondContact O-N 3.45Å; P373-C415 HydrophobicContact CG-CB 4.26Å; P373-E437 WeakPolarHBondContact CD-O 3.37Å; P373-E437 HydrophobicContact CG-CB 4.01Å
374	D	90.1	Very high	90.2	Very high	16 Å²	16	17.8 Å²	17.8	9%	0.086	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-51.1	177	175.3	62.8	0	0	0	111.6	S370 G372 L376 M377 A378 I440 W447	S370-D374 WeakPolarHBondContact CB-OD2 3.18Å; S370-D374 PolarHBondContact OG-OD2 3.06Å; G372-D374 PolarHBondContact O-N 2.99Å; D374-L376 VanDerWaalsContact C-N 3.28Å; D374-L376 PolarHBondContact O-N 2.83Å; D374-M377 WeakPolarHBondContact O-CB 2.65Å; D374-M377 PolarHBondContact O-N 2.94Å; D374-A378 PolarHBondContact O-N 3.04Å; D374-I440 HydrophobicContact CB-CD1 4.49Å; D374-W447 HydrophobicContact CB-CZ2 4.12Å; D374-W447 VanDerWaalsContact OD1-CZ2 3.26Å; D374-W447 WeakPolarHBondContact OD1-CZ2 3.39Å; D374-W447 PolarHBondContact OD1-NE1 3.43Å
375	A	92.3	Very high	89.2	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-33.9	175.4	0	0	0	0	0	112.9	S370 G372 A378 L379 P512 M513 Q514	S370-A375 PolarHBondContact OG-N 2.79Å; G372-A375 PolarHBondContact O-N 3.47Å; A375-A378 PolarHBondContact O-N 2.85Å; A375-L379 WeakPolarHBondContact O-CB 3.46Å; A375-L379 PolarHBondContact O-N 3.33Å; A375-P512 HydrophobicContact CB-CB 4.23Å; A375-P512 WeakPolarHBondContact CB-O 3.27Å; A375-M513 VanDerWaalsContact CB-C 3.47Å; A375-M513 VanDerWaalsContact CB-CA 3.45Å; A375-Q514 HydrophobicContact CB-CB 4.15Å; A375-Q514 HydrophobicContact CB-CG 3.86Å
376	L	89.2	Confident	88.3	Confident	6 Å²	6	30.2 Å²	30.2	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-41.4	176.1	-174.9	55.4	0	0	0	111.4	G372 P373 D374 L379 N380 L411 P512	G372-L376 PolarHBondContact O-N 3.16Å; P373-L376 WeakPolarHBondContact O-CB 3.13Å; P373-L376 PolarHBondContact O-N 2.9Å; D374-L376 VanDerWaalsContact C-N 3.28Å; D374-L376 PolarHBondContact O-N 2.83Å; L376-L379 PolarHBondContact O-N 3.44Å; L376-N380 WeakPolarHBondContact O-CB 3.5Å; L376-N380 PolarHBondContact O-N 3.31Å; L376-N380 PolarHBondContact O-ND2 3.17Å; L376-L411 HydrophobicContact CD2-CB 4.05Å; L376-L411 HydrophobicContact CD2-CD2 4.09Å; L376-L411 HydrophobicContact CG-CD2 4.27Å; L376-P512 HydrophobicContact CB-CB 4.09Å; L376-P512 HydrophobicContact CB-CG 3.76Å; L376-P512 HydrophobicContact CD1-CB 4.24Å; L376-P512 HydrophobicContact CD1-CG 4.15Å; L376-P512 HydrophobicContact CG-CG 4.41Å
377	M	85.4	Confident	87.6	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-46	174.1	-69.4	172.5	63.7	0	0	110.8	P373 D374 L379 N380 F381 Y402 L411	P373-M377 VanDerWaalsContact O-CG 3.32Å; P373-M377 WeakPolarHBondContact O-CG 3.4Å; P373-M377 PolarHBondContact O-N 3.45Å; D374-M377 WeakPolarHBondContact O-CB 2.65Å; D374-M377 PolarHBondContact O-N 2.94Å; M377-L379 PolarHBondContact O-N 3.34Å; M377-N380 PolarHBondContact O-N 3.41Å; M377-F381 VanDerWaalsContact O-CB 3.31Å; M377-F381 WeakPolarHBondContact O-CB 3.45Å; M377-F381 PolarHBondContact O-N 3Å; M377-Y402 HydrophobicContact CE-CD1 4.46Å; M377-Y402 WeakPolarHBondContact CE-O 3.42Å; M377-L411 HydrophobicContact CG-CD1 3.96Å
378	A	87.4	Confident	86.5	Confident	7 Å²	7	40.8 Å²	40.8	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-44.9	174.6	0	0	0	0	0	112	D374 A375 F381 H382 Q514 P519	D374-A378 PolarHBondContact O-N 3.04Å; A375-A378 PolarHBondContact O-N 2.85Å; A378-F381 PolarHBondContact O-N 3.07Å; A378-H382 WeakPolarHBondContact O-CB 3.36Å; A378-H382 PolarHBondContact O-N 3.42Å; A378-Q514 HydrophobicContact CB-CB 4.4Å; A378-Q514 HydrophobicContact CB-CG 4.37Å; A378-P519 HydrophobicContact CB-CB 4Å; A378-P519 HydrophobicContact CB-CG 4.37Å
379	L	86.9	Confident	85.3	Confident	47 Å²	47	44.3 Å²	44.3	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-45.6	178.8	-172.1	65.5	0	0	0	112.2	A375 L376 M377 H382 A383 P512 P519	A375-L379 WeakPolarHBondContact O-CB 3.46Å; A375-L379 PolarHBondContact O-N 3.33Å; L376-L379 PolarHBondContact O-N 3.44Å; M377-L379 PolarHBondContact O-N 3.34Å; L379-H382 PolarHBondContact O-N 3.32Å; L379-A383 WeakPolarHBondContact O-CB 3.4Å; L379-A383 PolarHBondContact O-N 2.96Å; L379-P512 HydrophobicContact CD2-CB 4.27Å; L379-P519 HydrophobicContact CB-CB 3.89Å; L379-P519 HydrophobicContact CB-CG 4.37Å; L379-P519 HydrophobicContact CD1-CB 3.99Å; L379-P519 HydrophobicContact CD1-CG 4.15Å
380	N	85.1	Confident	83.9	Confident	42 Å²	42	48.9 Å²	48.9	23%	0.225	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-42.7	177.7	-74.6	-30.1	0	0	0	111.7	L376 M377 A383 H384 L411	L376-N380 WeakPolarHBondContact O-CB 3.5Å; L376-N380 PolarHBondContact O-N 3.31Å; L376-N380 PolarHBondContact O-ND2 3.17Å; M377-N380 PolarHBondContact O-N 3.41Å; N380-A383 PolarHBondContact O-N 3.46Å; N380-H384 PolarHBondContact O-N 2.95Å; N380-H384 PolarHBondContact O-ND1 3.44Å; N380-L411 WeakPolarHBondContact ND2-CD2 3.44Å
381	F	80.9	Confident	82.5	Confident	13 Å²	13	54.3 Å²	54.3	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-47.2	175.6	-176.4	-91.5	0	0	0	111.3	M377 A378 A383 H384 R385 F392 N398 V401 Y402	M377-F381 VanDerWaalsContact O-CB 3.31Å; M377-F381 WeakPolarHBondContact O-CB 3.45Å; M377-F381 PolarHBondContact O-N 3Å; A378-F381 PolarHBondContact O-N 3.07Å; F381-A383 PolarHBondContact O-N 3.29Å; F381-H384 PolarHBondContact O-N 2.87Å; F381-R385 WeakPolarHBondContact O-CB 3.28Å; F381-R385 PolarHBondContact O-N 3.44Å; F381-F392 HydrophobicContact CD2-CD1 4.32Å; F381-F392 AromaticContact CD2-CE1 3.82Å; F381-F392 HydrophobicContact CD2-CE1 3.82Å; F381-F392 HydrophobicContact CE1-CD1 4.29Å; F381-F392 AromaticContact CE2-CD1 3.44Å; F381-F392 HydrophobicContact CE2-CD1 3.44Å; F381-F392 VanDerWaalsContact CE2-CD1 3.44Å; F381-F392 AromaticContact CE2-CE1 3.34Å; F381-F392 HydrophobicContact CE2-CE1 3.34Å; F381-F392 AromaticContact CZ-CD1 3.41Å; F381-F392 HydrophobicContact CZ-CD1 3.41Å; F381-F392 VanDerWaalsContact CZ-CD1 3.41Å; F381-F392 AromaticContact CZ-CE1 3.78Å; F381-F392 HydrophobicContact CZ-CE1 3.78Å; F381-F392 HydrophobicContact CZ-CG 4.41Å; F381-N398 HydrophobicContact CE2-CB 4.29Å; F381-N398 HydrophobicContact CZ-CB 4.08Å; F381-V401 HydrophobicContact CD2-CG1 4.12Å; F381-V401 HydrophobicContact CE2-CG1 4.32Å; F381-Y402 HydrophobicContact CB-CE1 4.24Å; F381-Y402 HydrophobicContact CB-CE2 4.15Å; F381-Y402 AromaticContact CD1-CE2 3.59Å; F381-Y402 HydrophobicContact CD1-CE2 3.59Å; F381-Y402 AromaticContact CD1-CZ 3.67Å; F381-Y402 WeakPolarHBondContact CD1-OH 3.37Å; F381-Y402 AromaticContact CD2-CD2 3.63Å; F381-Y402 HydrophobicContact CD2-CD2 3.63Å; F381-Y402 AromaticContact CD2-CE2 3.24Å; F381-Y402 HydrophobicContact CD2-CE2 3.24Å; F381-Y402 HydrophobicContact CD2-CG 4.44Å; F381-Y402 AromaticContact CD2-CZ 3.8Å; F381-Y402 AromaticContact CE1-CE2 3.68Å; F381-Y402 HydrophobicContact CE1-CE2 3.68Å; F381-Y402 AromaticContact CE2-CD2 3.63Å; F381-Y402 HydrophobicContact CE2-CD2 3.63Å; F381-Y402 AromaticContact CE2-CE2 3.33Å; F381-Y402 HydrophobicContact CE2-CE2 3.33Å; F381-Y402 HydrophobicContact CG-CD2 4.19Å; F381-Y402 HydrophobicContact CG-CE1 4.33Å; F381-Y402 AromaticContact CG-CE2 3.38Å; F381-Y402 HydrophobicContact CG-CE2 3.38Å; F381-Y402 AromaticContact CG-CZ 3.46Å; F381-Y402 VanDerWaalsContact CG-CZ 3.46Å; F381-Y402 WeakPolarHBondContact CG-OH 3.31Å; F381-Y402 HydrophobicContact CZ-CD2 4.22Å; F381-Y402 AromaticContact CZ-CE2 3.56Å; F381-Y402 HydrophobicContact CZ-CE2 3.56Å
382	H	82	Confident	81	Confident	66 Å²	66	55.2 Å²	55.2	31%	0.306	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-48.5	176.8	-173.6	-81.7	0	0	0	111.6	A378 L379 H384 R385 E386 P519	A378-H382 WeakPolarHBondContact O-CB 3.36Å; A378-H382 PolarHBondContact O-N 3.42Å; L379-H382 PolarHBondContact O-N 3.32Å; H382-H384 VanDerWaalsContact C-N 3.3Å; H382-H384 PolarHBondContact O-N 2.94Å; H382-R385 PolarHBondContact O-N 3.32Å; H382-E386 IonicContact CE1-OE1 3.56Å; H382-E386 PolarHBondContact CE1-OE1 3.41Å; H382-E386 IonicContact CE1-OE2 3.54Å; H382-E386 IonicContact ND1-OE1 2.79Å; H382-E386 IonicContact ND1-OE2 3.84Å; H382-E386 PolarHBondContact O-N 3.4Å; H382-P519 HydrophobicContact CB-CG 3.69Å
383	A	82.4	Confident	79.5	Confident	34 Å²	34	58.4 Å²	58.4	28%	0.281	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-33.9	178.6	0	0	0	0	0	113.3	L379 N380 F381 K387	L379-A383 WeakPolarHBondContact O-CB 3.4Å; L379-A383 PolarHBondContact O-N 2.96Å; N380-A383 PolarHBondContact O-N 3.46Å; F381-A383 PolarHBondContact O-N 3.29Å; A383-K387 WeakPolarHBondContact O-CD 3.47Å; A383-K387 VanDerWaalsContact O-CG 3.28Å; A383-K387 WeakPolarHBondContact O-CG 3.41Å; A383-K387 PolarHBondContact O-N 3.47Å
384	H	78.4	Confident	78.7	Confident	82 Å²	82	59.7 Å²	59.7	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-74.4	-38.8	174.5	-76.2	71.4	0	0	0	111.9	N380 F381 H382 E386 K387 T388 F392 Y405	N380-H384 PolarHBondContact O-N 2.95Å; N380-H384 PolarHBondContact O-ND1 3.44Å; F381-H384 PolarHBondContact O-N 2.87Å; H382-H384 VanDerWaalsContact C-N 3.3Å; H382-H384 PolarHBondContact O-N 2.94Å; H384-E386 PolarHBondContact O-N 3.26Å; H384-K387 PolarHBondContact O-N 2.92Å; H384-T388 PolarHBondContact O-N 3.42Å; H384-F392 HydrophobicContact CB-CE2 4.17Å; H384-F392 HydrophobicContact CB-CZ 3.76Å; H384-Y405 PolarHBondContact CD2-OH 3.45Å; H384-Y405 PolarHBondContact CE1-OH 3.32Å; H384-Y405 VanDerWaalsContact CE1-OH 3.27Å; H384-Y405 PolarHBondContact ND1-OH 3.49Å; H384-Y405 PolarHBondContact NE2-OH 2.94Å
385	R	76.3	Confident	78	Confident	143 Å²	143	61.8 Å²	61.8	54%	0.54	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-38.9	177.5	-177	178.4	168.4	-169.3	-3.4	112.6	F381 H382 K387 P389 F392	F381-R385 WeakPolarHBondContact O-CB 3.28Å; F381-R385 PolarHBondContact O-N 3.44Å; H382-R385 PolarHBondContact O-N 3.32Å; R385-K387 VanDerWaalsContact C-N 3.31Å; R385-K387 PolarHBondContact O-N 3.3Å; R385-P389 WeakPolarHBondContact O-CA 3.38Å; R385-F392 HydrophobicContact CB-CD2 3.96Å; R385-F392 HydrophobicContact CB-CE2 4.2Å; R385-F392 HydrophobicContact CB-CG 4.16Å; R385-F392 HydrophobicContact CG-CB 4.16Å; R385-F392 HydrophobicContact CG-CD2 4.13Å; R385-F392 HydrophobicContact CG-CG 4.13Å
386	E	78.3	Confident	77.2	Confident	141 Å²	141	68.4 Å²	68.4	66%	0.659	35%	0.354	S	S	*	.	H	α-helix	trans	-65.1	-34.9	174.2	-73.1	-174.7	145.5	0	0	112.6	H382 H384	H382-E386 IonicContact CE1-OE1 3.56Å; H382-E386 PolarHBondContact CE1-OE1 3.41Å; H382-E386 IonicContact CE1-OE2 3.54Å; H382-E386 IonicContact ND1-OE1 2.79Å; H382-E386 IonicContact ND1-OE2 3.84Å; H382-E386 PolarHBondContact O-N 3.4Å; H384-E386 PolarHBondContact O-N 3.26Å
387	K	81	Confident	76.5	Confident	161 Å²	161	71.3 Å²	71.3	70%	0.7	37%	0.368	S	S	*	.	H	α-helix	trans	-77.2	-33.7	179.8	-70.5	172.7	-173.8	177	0	113	A383 H384 R385	A383-K387 WeakPolarHBondContact O-CD 3.47Å; A383-K387 VanDerWaalsContact O-CG 3.28Å; A383-K387 WeakPolarHBondContact O-CG 3.41Å; A383-K387 PolarHBondContact O-N 3.47Å; H384-K387 PolarHBondContact O-N 2.92Å; R385-K387 VanDerWaalsContact C-N 3.31Å; R385-K387 PolarHBondContact O-N 3.3Å
388	T	72.9	Confident	76	Confident	71 Å²	71	71.7 Å²	71.7	44%	0.436	37%	0.37	S	S	.	.			trans	-143	68.6	-173.3	-44.6	0	0	0	0	112.1	H384 S390 F391 F392	H384-T388 PolarHBondContact O-N 3.42Å; T388-S390 VanDerWaalsContact C-N 3.28Å; T388-S390 PolarHBondContact O-N 2.96Å; T388-F391 HydrophobicContact CG2-CB 4.04Å; T388-F391 PolarHBondContact O-N 2.95Å; T388-F392 VanDerWaalsContact O-CD2 3.23Å; T388-F392 WeakPolarHBondContact O-CD2 3.16Å
389	P	69.6	Low	75.5	Confident	92 Å²	92	75.5 Å²	75.5	60%	0.597	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.1	-171.6	22.1	-33.4	0	0	0	114.4	R385 F391 F392	R385-P389 WeakPolarHBondContact O-CA 3.38Å; P389-F391 VanDerWaalsContact C-N 3.27Å; P389-F391 PolarHBondContact O-N 3.31Å; P389-F392 PolarHBondContact O-N 3.45Å
390	S	67.9	Low	75.1	Confident	96 Å²	96	75.6 Å²	75.6	67%	0.671	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-64.2	-30	179.9	50.7	0	0	0	0	113.6	T388 F392 S393	T388-S390 VanDerWaalsContact C-N 3.28Å; T388-S390 PolarHBondContact O-N 2.96Å; S390-F392 VanDerWaalsContact C-N 3.27Å; S390-F392 PolarHBondContact O-N 2.89Å; S390-S393 PolarHBondContact O-OG 3.33Å
391	F	67.4	Low	74.6	Confident	113 Å²	113	74.6 Å²	74.6	50%	0.496	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-72.3	-21.6	179.8	-163.1	-97.9	0	0	0	112.7	T388 P389 I397 V401	T388-F391 HydrophobicContact CG2-CB 4.04Å; T388-F391 PolarHBondContact O-N 2.95Å; P389-F391 VanDerWaalsContact C-N 3.27Å; P389-F391 PolarHBondContact O-N 3.31Å; F391-I397 HydrophobicContact CD1-CG2 4.19Å; F391-I397 HydrophobicContact CE1-CG2 3.76Å; F391-I397 HydrophobicContact CZ-CG2 4.26Å; F391-V401 HydrophobicContact CE1-CG2 4.24Å
392	F	63.3	Low	74.3	Confident	21 Å²	21	77.4 Å²	77.4	9%	0.092	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-101.1	19.3	-175.2	-63.5	-85.4	0	0	0	114	F381 H384 R385 T388 P389 S390 N398 V401	F381-F392 HydrophobicContact CD2-CD1 4.32Å; F381-F392 AromaticContact CD2-CE1 3.82Å; F381-F392 HydrophobicContact CD2-CE1 3.82Å; F381-F392 HydrophobicContact CE1-CD1 4.29Å; F381-F392 AromaticContact CE2-CD1 3.44Å; F381-F392 HydrophobicContact CE2-CD1 3.44Å; F381-F392 VanDerWaalsContact CE2-CD1 3.44Å; F381-F392 AromaticContact CE2-CE1 3.34Å; F381-F392 HydrophobicContact CE2-CE1 3.34Å; F381-F392 AromaticContact CZ-CD1 3.41Å; F381-F392 HydrophobicContact CZ-CD1 3.41Å; F381-F392 VanDerWaalsContact CZ-CD1 3.41Å; F381-F392 AromaticContact CZ-CE1 3.78Å; F381-F392 HydrophobicContact CZ-CE1 3.78Å; F381-F392 HydrophobicContact CZ-CG 4.41Å; H384-F392 HydrophobicContact CB-CE2 4.17Å; H384-F392 HydrophobicContact CB-CZ 3.76Å; R385-F392 HydrophobicContact CB-CD2 3.96Å; R385-F392 HydrophobicContact CB-CE2 4.2Å; R385-F392 HydrophobicContact CB-CG 4.16Å; R385-F392 HydrophobicContact CG-CB 4.16Å; R385-F392 HydrophobicContact CG-CD2 4.13Å; R385-F392 HydrophobicContact CG-CG 4.13Å; T388-F392 VanDerWaalsContact O-CD2 3.23Å; T388-F392 WeakPolarHBondContact O-CD2 3.16Å; P389-F392 PolarHBondContact O-N 3.45Å; S390-F392 VanDerWaalsContact C-N 3.27Å; S390-F392 PolarHBondContact O-N 2.89Å; F392-N398 WeakPolarHBondContact CA-OD1 3.35Å; F392-N398 WeakPolarHBondContact CB-OD1 3.47Å; F392-N398 VanDerWaalsContact CD1-OD1 3.29Å; F392-N398 WeakPolarHBondContact CD1-OD1 3.36Å; F392-N398 PolarHBondContact O-ND2 3.34Å; F392-N398 PolarHBondContact O-OD1 3.11Å; F392-V401 HydrophobicContact CE1-CG1 4.31Å
393	S	62.1	Low	73.9	Confident	68 Å²	68	78.4 Å²	78.4	48%	0.476	40%	0.403	S	S	.	.			trans	-69.9	-40.8	175.9	48.2	0	0	0	0	111.5	N226 S390	N226-S393 VanDerWaalsContact OD1-C 3.3Å; N226-S393 PolarHBondContact OD1-O 3Å; S390-S393 PolarHBondContact O-OG 3.33Å
394	S	73.6	Confident	73.5	Confident	31 Å²	31	81.1 Å²	81.1	22%	0.217	41%	0.412	C	S	.	.			trans	-82.1	126.8	-177.6	176.2	0	0	0	0	113.2	I396 I397 N398	S394-I396 VanDerWaalsContact C-N 3.31Å; S394-I396 PolarHBondContact O-N 3.31Å; S394-I396 PolarHBondContact OG-N 2.87Å; S394-I397 PolarHBondContact O-N 3.37Å; S394-I397 PolarHBondContact OG-N 3.24Å; S394-N398 WeakPolarHBondContact O-CB 3.27Å; S394-N398 PolarHBondContact O-N 2.92Å; S394-N398 PolarHBondContact O-ND2 3.24Å; S394-N398 PolarHBondContact O-OD1 3.19Å
395	R	74.9	Confident	73.2	Confident	60 Å²	60	79.4 Å²	79.4	23%	0.226	40%	0.403	C	S	.	.	H	α-helix	trans	-59.8	-39.7	173.7	-63.3	-169.9	-74.6	138.1	-6.2	112.3	G307 T308 G321 Y322 A323 N398 K399	G307-R395 WeakPolarHBondContact O-CD 3.47Å; T308-R395 HydrophobicContact CG2-CB 4.49Å; G321-R395 VanDerWaalsContact CA-NH1 3.33Å; Y322-R395 VanDerWaalsContact C-NH2 3.26Å; Y322-R395 PolarHBondContact O-NH2 3.3Å; A323-R395 VanDerWaalsContact CB-NH2 3.27Å; R395-N398 PolarHBondContact O-N 2.85Å; R395-K399 PolarHBondContact O-N 3.3Å
396	I	75.1	Confident	72.7	Confident	139 Å²	139	72.6 Å²	72.6	71%	0.713	38%	0.377	S	S	*	.	H	α-helix	trans	-64.3	-46.7	179.2	-62.4	170.7	0	0	0	110	S394 N398 K399 A400	S394-I396 VanDerWaalsContact C-N 3.31Å; S394-I396 PolarHBondContact O-N 3.31Å; S394-I396 PolarHBondContact OG-N 2.87Å; I396-N398 VanDerWaalsContact C-N 3.31Å; I396-N398 PolarHBondContact O-N 3.45Å; I396-K399 PolarHBondContact O-N 2.71Å; I396-A400 WeakPolarHBondContact O-CB 3.27Å; I396-A400 PolarHBondContact O-N 2.74Å
397	I	75.4	Confident	72.1	Confident	67 Å²	67	68.8 Å²	68.8	34%	0.344	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-43.4	177.7	-62.3	178.5	0	0	0	109.9	F391 S394 K399 A400 V401	F391-I397 HydrophobicContact CD1-CG2 4.19Å; F391-I397 HydrophobicContact CE1-CG2 3.76Å; F391-I397 HydrophobicContact CZ-CG2 4.26Å; S394-I397 PolarHBondContact O-N 3.37Å; S394-I397 PolarHBondContact OG-N 3.24Å; I397-K399 PolarHBondContact O-N 2.92Å; I397-A400 PolarHBondContact O-N 3.44Å; I397-V401 HydrophobicContact CG2-CG2 4.17Å; I397-V401 WeakPolarHBondContact O-CB 3.16Å; I397-V401 VanDerWaalsContact O-CG2 3.27Å; I397-V401 WeakPolarHBondContact O-CG2 3.48Å; I397-V401 PolarHBondContact O-N 3.34Å
398	N	75.6	Confident	71	Confident	11 Å²	11	67.4 Å²	67.4	6%	0.059	36%	0.358	C	S	.	.	H	α-helix	trans	-58.5	-49.7	178	-65.4	-13	0	0	0	111.1	T308 F381 F392 S394 R395 I396 A400 V401 Y402	T308-N398 HydrophobicContact CG2-CB 3.53Å; T308-N398 PolarHBondContact OG1-ND2 3.34Å; F381-N398 HydrophobicContact CE2-CB 4.29Å; F381-N398 HydrophobicContact CZ-CB 4.08Å; F392-N398 WeakPolarHBondContact CA-OD1 3.35Å; F392-N398 WeakPolarHBondContact CB-OD1 3.47Å; F392-N398 VanDerWaalsContact CD1-OD1 3.29Å; F392-N398 WeakPolarHBondContact CD1-OD1 3.36Å; F392-N398 PolarHBondContact O-ND2 3.34Å; F392-N398 PolarHBondContact O-OD1 3.11Å; S394-N398 WeakPolarHBondContact O-CB 3.27Å; S394-N398 PolarHBondContact O-N 2.92Å; S394-N398 PolarHBondContact O-ND2 3.24Å; S394-N398 PolarHBondContact O-OD1 3.19Å; R395-N398 PolarHBondContact O-N 2.85Å; I396-N398 VanDerWaalsContact C-N 3.31Å; I396-N398 PolarHBondContact O-N 3.45Å; N398-A400 PolarHBondContact O-N 3.28Å; N398-V401 PolarHBondContact O-N 2.99Å; N398-Y402 WeakPolarHBondContact O-CD2 3.45Å; N398-Y402 PolarHBondContact O-N 3.24Å
399	K	77	Confident	70	Confident	88 Å²	88	70.6 Å²	70.6	38%	0.383	37%	0.372	S	S	.	.	H	α-helix	trans	-59.5	-44	176.4	-73.5	-164.6	175.1	-159.5	0	112.3	T308 R395 I396 I397 V401 Y402 F403 G449	T308-K399 HydrophobicContact CG2-CG 3.73Å; T308-K399 WeakPolarHBondContact O-CE 3.16Å; R395-K399 PolarHBondContact O-N 3.3Å; I396-K399 PolarHBondContact O-N 2.71Å; I397-K399 PolarHBondContact O-N 2.92Å; K399-V401 PolarHBondContact O-N 3.43Å; K399-Y402 WeakPolarHBondContact O-CB 3.41Å; K399-Y402 PolarHBondContact O-N 3.34Å; K399-F403 PolarHBondContact O-N 3.15Å; K399-G449 PolarHBondContact NZ-O 3.41Å; K399-G449 VanDerWaalsContact NZ-O 3.1Å
400	A	77.4	Confident	68.9	Low	48 Å²	48	71.6 Å²	71.6	40%	0.397	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-40.5	178.1	0	0	0	0	0	112.6	I396 I397 N398 F403 L404	I396-A400 WeakPolarHBondContact O-CB 3.27Å; I396-A400 PolarHBondContact O-N 2.74Å; I397-A400 PolarHBondContact O-N 3.44Å; N398-A400 PolarHBondContact O-N 3.28Å; A400-F403 PolarHBondContact O-N 3.35Å; A400-L404 VanDerWaalsContact O-CG 3.31Å; A400-L404 WeakPolarHBondContact O-CG 3.32Å; A400-L404 PolarHBondContact O-N 3.32Å
401	V	74.9	Confident	68.2	Low	22 Å²	22	68.3 Å²	68.3	13%	0.133	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-43.1	176.1	168.7	0	0	0	0	111	F381 F391 F392 I397 N398 K399 F403 L404 Y405	F381-V401 HydrophobicContact CD2-CG1 4.12Å; F381-V401 HydrophobicContact CE2-CG1 4.32Å; F391-V401 HydrophobicContact CE1-CG2 4.24Å; F392-V401 HydrophobicContact CE1-CG1 4.31Å; I397-V401 HydrophobicContact CG2-CG2 4.17Å; I397-V401 WeakPolarHBondContact O-CB 3.16Å; I397-V401 VanDerWaalsContact O-CG2 3.27Å; I397-V401 WeakPolarHBondContact O-CG2 3.48Å; I397-V401 PolarHBondContact O-N 3.34Å; N398-V401 PolarHBondContact O-N 2.99Å; K399-V401 PolarHBondContact O-N 3.43Å; V401-F403 VanDerWaalsContact C-N 3.34Å; V401-F403 PolarHBondContact O-N 3.19Å; V401-L404 PolarHBondContact O-N 3.39Å; V401-Y405 HydrophobicContact CG1-CD2 3.77Å; V401-Y405 HydrophobicContact CG1-CE2 3.31Å; V401-Y405 WeakPolarHBondContact O-CD2 3.31Å; V401-Y405 PolarHBondContact O-N 3.27Å
402	Y	73.9	Confident	67.6	Low	71 Å²	71	65.1 Å²	65.1	28%	0.278	35%	0.345	S	S	.	.	H	α-helix	trans	-57.9	-46.4	173.7	-92.5	-84.4	0	0	0	111.6	M377 F381 N398 K399 L404 Y405 G406	M377-Y402 HydrophobicContact CE-CD1 4.46Å; M377-Y402 WeakPolarHBondContact CE-O 3.42Å; F381-Y402 HydrophobicContact CB-CE1 4.24Å; F381-Y402 HydrophobicContact CB-CE2 4.15Å; F381-Y402 AromaticContact CD1-CE2 3.59Å; F381-Y402 HydrophobicContact CD1-CE2 3.59Å; F381-Y402 AromaticContact CD1-CZ 3.67Å; F381-Y402 WeakPolarHBondContact CD1-OH 3.37Å; F381-Y402 AromaticContact CD2-CD2 3.63Å; F381-Y402 HydrophobicContact CD2-CD2 3.63Å; F381-Y402 AromaticContact CD2-CE2 3.24Å; F381-Y402 HydrophobicContact CD2-CE2 3.24Å; F381-Y402 HydrophobicContact CD2-CG 4.44Å; F381-Y402 AromaticContact CD2-CZ 3.8Å; F381-Y402 AromaticContact CE1-CE2 3.68Å; F381-Y402 HydrophobicContact CE1-CE2 3.68Å; F381-Y402 AromaticContact CE2-CD2 3.63Å; F381-Y402 HydrophobicContact CE2-CD2 3.63Å; F381-Y402 AromaticContact CE2-CE2 3.33Å; F381-Y402 HydrophobicContact CE2-CE2 3.33Å; F381-Y402 HydrophobicContact CG-CD2 4.19Å; F381-Y402 HydrophobicContact CG-CE1 4.33Å; F381-Y402 AromaticContact CG-CE2 3.38Å; F381-Y402 HydrophobicContact CG-CE2 3.38Å; F381-Y402 AromaticContact CG-CZ 3.46Å; F381-Y402 VanDerWaalsContact CG-CZ 3.46Å; F381-Y402 WeakPolarHBondContact CG-OH 3.31Å; F381-Y402 HydrophobicContact CZ-CD2 4.22Å; F381-Y402 AromaticContact CZ-CE2 3.56Å; F381-Y402 HydrophobicContact CZ-CE2 3.56Å; N398-Y402 WeakPolarHBondContact O-CD2 3.45Å; N398-Y402 PolarHBondContact O-N 3.24Å; K399-Y402 WeakPolarHBondContact O-CB 3.41Å; K399-Y402 PolarHBondContact O-N 3.34Å; Y402-L404 PolarHBondContact O-N 3.22Å; Y402-Y405 PolarHBondContact O-N 2.89Å; Y402-G406 PolarHBondContact O-N 2.86Å
403	F	74.1	Confident	67.5	Low	87 Å²	87	71.9 Å²	71.9	38%	0.382	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-42.9	177	-178	-99.4	0	0	0	112.8	K399 A400 V401 Y405 G406 T407 V488	K399-F403 PolarHBondContact O-N 3.15Å; A400-F403 PolarHBondContact O-N 3.35Å; V401-F403 VanDerWaalsContact C-N 3.34Å; V401-F403 PolarHBondContact O-N 3.19Å; F403-Y405 VanDerWaalsContact C-N 3.3Å; F403-Y405 PolarHBondContact O-N 3.49Å; F403-G406 WeakPolarHBondContact O-CA 3.01Å; F403-G406 PolarHBondContact O-N 3.23Å; F403-T407 HydrophobicContact CD1-CG2 4.47Å; F403-T407 HydrophobicContact CE1-CG2 3.95Å; F403-T407 HydrophobicContact CE2-CG2 4.47Å; F403-T407 HydrophobicContact CZ-CG2 3.95Å; F403-T407 PolarHBondContact O-N 3.09Å; F403-T407 PolarHBondContact O-OG1 2.71Å; F403-V488 HydrophobicContact CE2-CG1 3.73Å; F403-V488 HydrophobicContact CZ-CG1 4.47Å
404	L	75.1	Confident	67.9	Low	91 Å²	91	74.5 Å²	74.5	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-30.7	178.4	-72.9	172.7	0	0	0	113.2	A400 V401 Y402 G406 T407 K408	A400-L404 VanDerWaalsContact O-CG 3.31Å; A400-L404 WeakPolarHBondContact O-CG 3.32Å; A400-L404 PolarHBondContact O-N 3.32Å; V401-L404 PolarHBondContact O-N 3.39Å; Y402-L404 PolarHBondContact O-N 3.22Å; L404-G406 VanDerWaalsContact C-N 3.29Å; L404-T407 PolarHBondContact O-N 3.1Å; L404-T407 PolarHBondContact O-OG1 3.16Å; L404-K408 PolarHBondContact O-N 2.81Å
405	Y	71.8	Confident	68.3	Low	46 Å²	46	73.1 Å²	73.1	18%	0.18	37%	0.371	C	S	.	.	H	α-helix	trans	-68.2	-31	171.4	-76.7	-58.1	0	0	0	112.2	H384 V401 Y402 F403 L411	H384-Y405 PolarHBondContact CD2-OH 3.45Å; H384-Y405 PolarHBondContact CE1-OH 3.32Å; H384-Y405 VanDerWaalsContact CE1-OH 3.27Å; H384-Y405 PolarHBondContact ND1-OH 3.49Å; H384-Y405 PolarHBondContact NE2-OH 2.94Å; V401-Y405 HydrophobicContact CG1-CD2 3.77Å; V401-Y405 HydrophobicContact CG1-CE2 3.31Å; V401-Y405 WeakPolarHBondContact O-CD2 3.31Å; V401-Y405 PolarHBondContact O-N 3.27Å; Y402-Y405 PolarHBondContact O-N 2.89Å; F403-Y405 VanDerWaalsContact C-N 3.3Å; F403-Y405 PolarHBondContact O-N 3.49Å; Y405-L411 WeakPolarHBondContact O-CD1 3.45Å
406	G	65.4	Low	68.8	Low	1 Å²	1	74.2 Å²	74.2	1%	0.01	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-30	175.8	0	0	0	0	0	113.9	Y402 F403 L404 S480	Y402-G406 PolarHBondContact O-N 2.86Å; F403-G406 WeakPolarHBondContact O-CA 3.01Å; F403-G406 PolarHBondContact O-N 3.23Å; L404-G406 VanDerWaalsContact C-N 3.29Å; G406-S480 CarbonylContact O-C 3.59Å
407	T	65.8	Low	69.4	Low	60 Å²	60	71.1 Å²	71.1	37%	0.368	36%	0.363	S	S	.	.	H	α-helix	trans	-97.3	-12	-174	53.5	0	0	0	0	115.2	F403 L404	F403-T407 HydrophobicContact CD1-CG2 4.47Å; F403-T407 HydrophobicContact CE1-CG2 3.95Å; F403-T407 HydrophobicContact CE2-CG2 4.47Å; F403-T407 HydrophobicContact CZ-CG2 3.95Å; F403-T407 PolarHBondContact O-N 3.09Å; F403-T407 PolarHBondContact O-OG1 2.71Å; L404-T407 PolarHBondContact O-N 3.1Å; L404-T407 PolarHBondContact O-OG1 3.16Å
408	K	58.3	Low	70.1	Confident	132 Å²	132	68 Å²	68	57%	0.574	35%	0.347	S	S	*	.	S	Bend	trans	-88.3	123.8	174.2	-77.8	-175.3	175.8	178.2	0	111.2	L404 C410	L404-K408 PolarHBondContact O-N 2.81Å; K408-C410 PolarHBondContact O-N 3.3Å
409	D	50.5	Low	70.8	Confident	139 Å²	139	69.5 Å²	69.5	74%	0.743	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-58.3	8.8	174.2	-71.8	-34.7	0	0	0	115.8	L411 V412	D409-L411 PolarHBondContact O-N 3.06Å; D409-V412 WeakPolarHBondContact O-CG2 3.17Å
410	C	47	Very low	71.5	Confident	113 Å²	113	72 Å²	72	76%	0.764	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-84.7	0.7	-173.5	-63.1	0	0	0	0	115	K408	K408-C410 PolarHBondContact O-N 3.3Å
411	L	54.6	Low	72.2	Confident	27 Å²	27	71.8 Å²	71.8	14%	0.141	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-104.1	5.5	-175.6	-62.1	179.2	0	0	0	114.4	L376 M377 N380 Y405 D409 Q413	L376-L411 HydrophobicContact CD2-CB 4.05Å; L376-L411 HydrophobicContact CD2-CD2 4.09Å; L376-L411 HydrophobicContact CG-CD2 4.27Å; M377-L411 HydrophobicContact CG-CD1 3.96Å; N380-L411 WeakPolarHBondContact ND2-CD2 3.44Å; Y405-L411 WeakPolarHBondContact O-CD1 3.45Å; D409-L411 PolarHBondContact O-N 3.06Å; L411-Q413 PolarHBondContact O-N 3.34Å
412	V	53.8	Low	73.1	Confident	46 Å²	46	70.9 Å²	70.9	28%	0.279	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	22.5	-150.9	-169.5	0	0	0	0	114.8	D409 K416	D409-V412 WeakPolarHBondContact O-CG2 3.17Å; V412-K416 VanDerWaalsContact O-CD 3.31Å; V412-K416 WeakPolarHBondContact O-CD 3.49Å; V412-K416 WeakPolarHBondContact O-CE 3.27Å; V412-K416 PolarHBondContact O-NZ 3.38Å
413	Q	61.7	Low	74.2	Confident	162 Å²	162	69.6 Å²	69.6	76%	0.757	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-30.1	171.9	-75.3	-163.5	-7.9	0	0	114.9	L411 C415	L411-Q413 PolarHBondContact O-N 3.34Å; Q413-C415 PolarHBondContact O-N 3.32Å
414	E	70.3	Confident	75.4	Confident	124 Å²	124	65.6 Å²	65.6	58%	0.579	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-34.3	-172.2	-62.8	-169.5	172.1	0	0	112.6	R421	E414-R421 PolarHBondContact O-NH1 3.37Å
415	C	81.9	Confident	76.5	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.014	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.7	-173	-57.6	0	0	0	0	115.4	G372 P373 Q413 E437 M511	G372-C415 VanDerWaalsContact C-SG 3.57Å; P373-C415 HydrophobicContact CG-CB 4.26Å; Q413-C415 PolarHBondContact O-N 3.32Å; C415-E437 HydrophobicContact CB-CB 4.32Å; C415-M511 HydrophobicContact CB-CE 4.04Å
416	K	84.5	Confident	77.7	Confident	83 Å²	83	60.4 Å²	60.4	36%	0.361	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	150.8	-177.1	-83.7	-176.1	166.3	167.4	0	113.4	V412 L418 R421 E437	V412-K416 VanDerWaalsContact O-CD 3.31Å; V412-K416 WeakPolarHBondContact O-CD 3.49Å; V412-K416 WeakPolarHBondContact O-CE 3.27Å; V412-K416 PolarHBondContact O-NZ 3.38Å; K416-L418 VanDerWaalsContact C-N 3.26Å; K416-L418 PolarHBondContact O-N 2.94Å; K416-R421 PolarHBondContact O-NE 3.49Å; K416-R421 PolarHBondContact O-NH2 2.9Å; K416-E437 WeakPolarHBondContact CG-OE1 3.49Å
417	D	88	Confident	79.3	Confident	74 Å²	74	64.1 Å²	64.1	40%	0.396	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	39.4	175.7	-55.8	-69.6	0	0	0	113.1	D419 K420 R421	D417-D419 VanDerWaalsContact CA-OD1 3.25Å; D417-D419 WeakPolarHBondContact CA-OD1 3.23Å; D417-D419 PolarHBondContact O-N 2.89Å; D417-K420 HydrophobicContact CB-CB 4.41Å; D417-K420 HydrophobicContact CB-CD 4.01Å; D417-K420 HydrophobicContact CB-CG 4.28Å; D417-K420 PolarHBondContact O-N 2.98Å; D417-K420 VanDerWaalsContact O-N 3.1Å; D417-K420 IonicContact OD1-NZ 3.84Å; D417-K420 PolarHBondContact OD1-NZ 2.83Å; D417-R421 WeakPolarHBondContact O-CG 3.46Å
418	L	90.1	Very high	80.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-36.5	-179.1	179.2	65.6	0	0	0	110.7	V371 K416 K420 R421 I422 L436 E437 I439 M511	V371-L418 HydrophobicContact CG1-CD2 4.31Å; V371-L418 HydrophobicContact CG2-CD1 4.43Å; K416-L418 VanDerWaalsContact C-N 3.26Å; K416-L418 PolarHBondContact O-N 2.94Å; L418-K420 PolarHBondContact O-N 2.93Å; L418-K420 VanDerWaalsContact O-N 3.16Å; L418-R421 PolarHBondContact O-N 3.41Å; L418-I422 HydrophobicContact CD1-CB 4.13Å; L418-I422 HydrophobicContact CD1-CD1 4.36Å; L418-I422 HydrophobicContact CD1-CG2 4.14Å; L418-I422 HydrophobicContact CG-CB 4.42Å; L418-I422 HydrophobicContact CG-CG2 3.88Å; L418-I422 WeakPolarHBondContact O-CG2 3.48Å; L418-I422 PolarHBondContact O-N 2.86Å; L418-L436 VanDerWaalsContact CB-O 3.28Å; L418-L436 WeakPolarHBondContact CB-O 3.42Å; L418-L436 PolarHBondContact N-O 2.94Å; L418-L436 VanDerWaalsContact N-O 3.14Å; L418-E437 WeakPolarHBondContact CD2-O 3.35Å; L418-I439 HydrophobicContact CD2-CD1 4.34Å; L418-I439 HydrophobicContact CD2-CG1 4.02Å; L418-M511 HydrophobicContact CD1-CE 3.73Å
419	D	90.1	Very high	82.5	Confident	43 Å²	43	64 Å²	64	23%	0.23	33%	0.332	C	S	.	.	H	α-helix	trans	-52.6	-31.4	175.1	64.9	-61.1	0	0	0	113.9	D417 L433 P434	D417-D419 VanDerWaalsContact CA-OD1 3.25Å; D417-D419 WeakPolarHBondContact CA-OD1 3.23Å; D417-D419 PolarHBondContact O-N 2.89Å; D419-L433 HydrophobicContact CB-CB 3.97Å; D419-P434 WeakPolarHBondContact CB-O 3.23Å
420	K	92	Very high	84.7	Confident	139 Å²	139	64.8 Å²	64.8	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-85	-21	177.8	-56.9	-179.5	-169.8	147.6	0	112.6	D417 L418	D417-K420 HydrophobicContact CB-CB 4.41Å; D417-K420 HydrophobicContact CB-CD 4.01Å; D417-K420 HydrophobicContact CB-CG 4.28Å; D417-K420 PolarHBondContact O-N 2.98Å; D417-K420 VanDerWaalsContact O-N 3.1Å; D417-K420 IonicContact OD1-NZ 3.84Å; D417-K420 PolarHBondContact OD1-NZ 2.83Å; L418-K420 PolarHBondContact O-N 2.93Å; L418-K420 VanDerWaalsContact O-N 3.16Å
421	R	92.1	Very high	87.1	Confident	44 Å²	44	61.2 Å²	61.2	17%	0.166	30%	0.299	C	S	.	.	H	α-helix	trans	-98.1	-27.5	-173.1	-58.4	175	-161.4	-165.6	2.1	112.8	E414 K416 D417 L418 L506 K507 M511	E414-R421 PolarHBondContact O-NH1 3.37Å; K416-R421 PolarHBondContact O-NE 3.49Å; K416-R421 PolarHBondContact O-NH2 2.9Å; D417-R421 WeakPolarHBondContact O-CG 3.46Å; L418-R421 PolarHBondContact O-N 3.41Å; R421-L506 HydrophobicContact CB-CD1 4.28Å; R421-K507 WeakPolarHBondContact O-CB 3.34Å; R421-K507 PolarHBondContact O-N 2.81Å; R421-M511 PolarHBondContact NH1-SD 3.07Å; R421-M511 VanDerWaalsContact NH1-SD 3.41Å
422	I	94.8	Very high	89	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.1	-174.4	-148.5	163.9	0	0	0	111.4	V371 L418 L433 I439 L504 V505	V371-I422 HydrophobicContact CG1-CD1 4.06Å; L418-I422 HydrophobicContact CD1-CB 4.13Å; L418-I422 HydrophobicContact CD1-CD1 4.36Å; L418-I422 HydrophobicContact CD1-CG2 4.14Å; L418-I422 HydrophobicContact CG-CB 4.42Å; L418-I422 HydrophobicContact CG-CG2 3.88Å; L418-I422 WeakPolarHBondContact O-CG2 3.48Å; L418-I422 PolarHBondContact O-N 2.86Å; I422-L433 HydrophobicContact CG2-CD1 3.48Å; I422-L433 VanDerWaalsContact CG2-CD1 3.48Å; I422-I439 HydrophobicContact CG2-CD1 3.81Å; I422-L504 HydrophobicContact CD1-CB 4.07Å; I422-L504 HydrophobicContact CD1-CD2 3.71Å; I422-L504 HydrophobicContact CD1-CG 4.47Å; I422-L504 HydrophobicContact CG1-CB 4.33Å; I422-L504 HydrophobicContact CG1-CD2 4.24Å; I422-V505 WeakPolarHBondContact CA-O 3.21Å
423	E	96.9	Very high	90.9	Very high	43 Å²	43	63.9 Å²	63.9	20%	0.201	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.5	162.3	-72.4	173.6	167.1	0	0	108.7	R430 L504 V505 K507	E423-R430 IonicContact OE1-CZ 3.43Å; E423-R430 IonicContact OE1-NH1 3.66Å; E423-R430 PolarHBondContact OE1-NH1 2.94Å; E423-R430 IonicContact OE1-NH2 3.45Å; E423-R430 IonicContact OE2-CZ 2.74Å; E423-R430 IonicContact OE2-NH1 3.35Å; E423-R430 PolarHBondContact OE2-NH1 3.34Å; E423-R430 IonicContact OE2-NH2 3.95Å; E423-R430 PolarHBondContact OE2-NH2 3.43Å; E423-L504 CarbonylContact O-C 3.56Å; E423-L504 WeakPolarHBondContact O-CA 3.31Å; E423-V505 HydrophobicContact CB-CB 4.23Å; E423-V505 PolarHBondContact N-O 2.86Å; E423-V505 PolarHBondContact O-N 2.94Å; E423-K507 VanDerWaalsContact CD-NZ 3.28Å; E423-K507 VanDerWaalsContact CG-CE 3.46Å; E423-K507 WeakPolarHBondContact OE1-CE 3.36Å; E423-K507 IonicContact OE1-NZ 2.76Å; E423-K507 PolarHBondContact OE1-NZ 2.81Å
424	L	98	Very high	92.4	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.5	173.6	176.1	63.9	0	0	0	109.4	L426 V431 L433 V474 L496 V502 L504	L424-L426 HydrophobicContact CD1-CD2 3.92Å; L424-L426 HydrophobicContact CD2-CD2 4.4Å; L424-L426 HydrophobicContact CG-CD2 4.23Å; L424-L426 HydrophobicContact CG-CG 4.4Å; L424-V431 HydrophobicContact CB-CB 4.47Å; L424-V431 HydrophobicContact CD2-CB 4.04Å; L424-V431 HydrophobicContact CD2-CG1 4.21Å; L424-V431 HydrophobicContact CD2-CG2 4.47Å; L424-V431 HydrophobicContact CG-CB 4.18Å; L424-V431 PolarHBondContact O-N 3.03Å; L424-L433 HydrophobicContact CB-CD1 4.26Å; L424-L433 HydrophobicContact CB-CD2 3.99Å; L424-L433 HydrophobicContact CB-CG 4.36Å; L424-L433 HydrophobicContact CD2-CD2 3.79Å; L424-V474 HydrophobicContact CD1-CG1 4.4Å; L424-V474 HydrophobicContact CD2-CG1 3.99Å; L424-L496 HydrophobicContact CD2-CB 4.24Å; L424-L496 HydrophobicContact CD2-CD1 3.9Å; L424-V502 HydrophobicContact CD1-CG1 3.83Å; L424-L504 HydrophobicContact CD1-CD2 3.71Å; L424-L504 HydrophobicContact CD1-CG 4.2Å
425	E	98.3	Very high	93.4	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	167.4	-63.5	179.3	-152.3	0	0	110.5	E429 R430 R503	E425-E429 CarbonylContact C-O 3.53Å; E425-E429 WeakPolarHBondContact CA-O 3.47Å; E425-R430 HydrophobicContact CG-CG 3.74Å; E425-R430 IonicContact OE1-NE 3.07Å; E425-R503 HydrophobicContact CB-CB 4.26Å; E425-R503 PolarHBondContact N-O 3.47Å; E425-R503 PolarHBondContact O-N 2.83Å; E425-R503 IonicContact OE1-CZ 3.13Å; E425-R503 IonicContact OE1-NE 3.5Å; E425-R503 IonicContact OE1-NH2 2.74Å; E425-R503 PolarHBondContact OE1-NH2 2.79Å; E425-R503 IonicContact OE2-CZ 2.86Å; E425-R503 IonicContact OE2-NE 2.82Å; E425-R503 PolarHBondContact OE2-NE 2.87Å; E425-R503 IonicContact OE2-NH1 3.09Å; E425-R503 PolarHBondContact OE2-NH1 3.43Å; E425-R503 VanDerWaalsContact OE2-NH1 3.09Å; E425-R503 IonicContact OE2-NH2 2.61Å; E425-R503 PolarHBondContact OE2-NH2 3.43Å
426	L	98.2	Very high	93.9	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.2	176.6	-62.5	-171.2	0	0	0	107.6	L424 G428 E429 V431 V474 A499 V502	L424-L426 HydrophobicContact CD1-CD2 3.92Å; L424-L426 HydrophobicContact CD2-CD2 4.4Å; L424-L426 HydrophobicContact CG-CD2 4.23Å; L424-L426 HydrophobicContact CG-CG 4.4Å; L426-G428 PolarHBondContact O-N 2.84Å; L426-E429 PolarHBondContact N-O 3.41Å; L426-E429 PolarHBondContact O-N 2.87Å; L426-V431 HydrophobicContact CB-CG2 4.07Å; L426-V431 HydrophobicContact CD1-CG2 3.68Å; L426-V431 HydrophobicContact CG-CG2 3.59Å; L426-V474 HydrophobicContact CD2-CB 4.19Å; L426-V474 HydrophobicContact CD2-CG1 4.35Å; L426-V474 HydrophobicContact CD2-CG2 3.69Å; L426-A499 HydrophobicContact CB-CB 3.87Å; L426-A499 HydrophobicContact CD2-CB 3.94Å; L426-A499 HydrophobicContact CG-CB 4.35Å; L426-V502 HydrophobicContact CD2-CB 4.49Å; L426-V502 HydrophobicContact CD2-CG1 4.12Å; L426-V502 HydrophobicContact CD2-CG2 4.02Å
427	D	97.8	Very high	94.3	Very high	79 Å²	79	54.2 Å²	54.2	42%	0.422	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	30.4	-177.3	-63.7	-32.4	0	0	0	114.4	A499 H500 T501	D427-A499 WeakPolarHBondContact OD2-CA 3.12Å; D427-H500 WeakPolarHBondContact OD1-CA 3.47Å; D427-H500 WeakPolarHBondContact OD1-CB 3.36Å; D427-H500 PolarHBondContact OD1-N 3.32Å; D427-H500 PolarHBondContact OD2-N 3.28Å; D427-H500 VanDerWaalsContact OD2-N 3.15Å; D427-T501 PolarHBondContact N-O 2.78Å; D427-T501 PolarHBondContact OD1-N 2.96Å
428	G	95.6	Very high	94.6	Very high	44 Å²	44	50.8 Å²	50.8	45%	0.454	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-8.8	-179.6	0	0	0	0	0	114.7	L426	L426-G428 PolarHBondContact O-N 2.84Å
429	E	97.2	Very high	95	Very high	146 Å²	146	50.7 Å²	50.7	68%	0.682	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.1	177.2	-65.2	-58.5	140.7	0	0	111	E425 L426	E425-E429 CarbonylContact C-O 3.53Å; E425-E429 WeakPolarHBondContact CA-O 3.47Å; L426-E429 PolarHBondContact N-O 3.41Å; L426-E429 PolarHBondContact O-N 2.87Å
430	R	96.9	Very high	95.3	Very high	155 Å²	155	48.8 Å²	48.8	59%	0.585	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.1	178.5	-78.6	-179.3	175.5	-124.8	-14.6	110.7	E423 E425	E423-R430 IonicContact OE1-CZ 3.43Å; E423-R430 IonicContact OE1-NH1 3.66Å; E423-R430 PolarHBondContact OE1-NH1 2.94Å; E423-R430 IonicContact OE1-NH2 3.45Å; E423-R430 IonicContact OE2-CZ 2.74Å; E423-R430 IonicContact OE2-NH1 3.35Å; E423-R430 PolarHBondContact OE2-NH1 3.34Å; E423-R430 IonicContact OE2-NH2 3.95Å; E423-R430 PolarHBondContact OE2-NH2 3.43Å; E425-R430 HydrophobicContact CG-CG 3.74Å; E425-R430 IonicContact OE1-NE 3.07Å
431	V	96.6	Very high	95.5	Very high	39 Å²	39	42.1 Å²	42.1	24%	0.236	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.2	175.1	179.5	0	0	0	0	109.9	L424 L426 L433	L424-V431 HydrophobicContact CB-CB 4.47Å; L424-V431 HydrophobicContact CD2-CB 4.04Å; L424-V431 HydrophobicContact CD2-CG1 4.21Å; L424-V431 HydrophobicContact CD2-CG2 4.47Å; L424-V431 HydrophobicContact CG-CB 4.18Å; L424-V431 PolarHBondContact O-N 3.03Å; L426-V431 HydrophobicContact CB-CG2 4.07Å; L426-V431 HydrophobicContact CD1-CG2 3.68Å; L426-V431 HydrophobicContact CG-CG2 3.59Å; V431-L433 PolarHBondContact O-N 3.28Å
432	A	94.6	Very high	95.7	Very high	95 Å²	95	40 Å²	40	79%	0.785	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-72.7	122	172.1	0	0	0	0	0	109.6
433	L	94.5	Very high	95.7	Very high	33 Å²	33	39.9 Å²	39.9	17%	0.173	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-90.9	134.1	-179.3	-62.3	175.5	0	0	0	110.3	D419 I422 L424 V431 L436 I439 L496	D419-L433 HydrophobicContact CB-CB 3.97Å; I422-L433 HydrophobicContact CG2-CD1 3.48Å; I422-L433 VanDerWaalsContact CG2-CD1 3.48Å; L424-L433 HydrophobicContact CB-CD1 4.26Å; L424-L433 HydrophobicContact CB-CD2 3.99Å; L424-L433 HydrophobicContact CB-CG 4.36Å; L424-L433 HydrophobicContact CD2-CD2 3.79Å; V431-L433 PolarHBondContact O-N 3.28Å; L433-L436 HydrophobicContact CD2-CD1 4.37Å; L433-I439 HydrophobicContact CD1-CD1 4.04Å; L433-I439 HydrophobicContact CD2-CD1 4.18Å; L433-L496 HydrophobicContact CD2-CD1 3.94Å; L433-L496 HydrophobicContact CD2-CD2 4.14Å
434	P	92.4	Very high	95.5	Very high	50 Å²	50	37.8 Å²	37.8	33%	0.325	22%	0.219	S	C	.	.			trans	-68	177.7	163.3	22.1	-18.2	0	0	0	109.9	D419 L436 V494	D419-P434 WeakPolarHBondContact CB-O 3.23Å; P434-L436 HydrophobicContact CB-CG 4.42Å; P434-L436 HydrophobicContact CG-CD1 3.92Å; P434-L436 HydrophobicContact CG-CD2 4Å; P434-L436 HydrophobicContact CG-CG 3.72Å; P434-L436 PolarHBondContact O-N 2.86Å; P434-V494 HydrophobicContact CG-CG1 4.1Å
435	S	91.8	Very high	95	Very high	89 Å²	89	38.4 Å²	38.4	62%	0.622	23%	0.226	S	C	*	.	S	Bend	trans	-69.1	63	178.6	58.5	0	0	0	0	112.6	F478	S435-F478 WeakPolarHBondContact O-CD1 3.33Å
436	L	92.4	Very high	94.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	23%	0.228	C	C	.	.			trans	-83.4	157.2	-177.8	-64.1	173.7	0	0	0	110.7	L418 L433 P434 F478 V494 L496	L418-L436 VanDerWaalsContact CB-O 3.28Å; L418-L436 WeakPolarHBondContact CB-O 3.42Å; L418-L436 PolarHBondContact N-O 2.94Å; L418-L436 VanDerWaalsContact N-O 3.14Å; L433-L436 HydrophobicContact CD2-CD1 4.37Å; P434-L436 HydrophobicContact CB-CG 4.42Å; P434-L436 HydrophobicContact CG-CD1 3.92Å; P434-L436 HydrophobicContact CG-CD2 4Å; P434-L436 HydrophobicContact CG-CG 3.72Å; P434-L436 PolarHBondContact O-N 2.86Å; L436-F478 HydrophobicContact CD2-CD1 3.8Å; L436-F478 HydrophobicContact CD2-CE1 3.69Å; L436-F478 HydrophobicContact CD2-CG 4.44Å; L436-F478 HydrophobicContact CD2-CZ 4.24Å; L436-V494 HydrophobicContact CD2-CB 4.31Å; L436-V494 HydrophobicContact CD2-CG2 4.08Å; L436-L496 HydrophobicContact CD1-CD1 4Å; L436-L496 HydrophobicContact CD1-CD2 4.07Å
437	E	93.1	Very high	94.1	Very high	29 Å²	29	38.3 Å²	38.3	14%	0.136	22%	0.224	C	C	.	.	S	Bend	trans	-110.7	-17.2	170.6	-63.8	-169.1	172.1	0	0	112	P373 C415 K416 L418 V477 F478 G479	P373-E437 WeakPolarHBondContact CD-O 3.37Å; P373-E437 HydrophobicContact CG-CB 4.01Å; C415-E437 HydrophobicContact CB-CB 4.32Å; K416-E437 WeakPolarHBondContact CG-OE1 3.49Å; L418-E437 WeakPolarHBondContact CD2-O 3.35Å; E437-V477 PolarHBondContact N-O 3.44Å; E437-F478 VanDerWaalsContact CG-O 3.23Å; E437-F478 WeakPolarHBondContact CG-O 3.35Å; E437-G479 WeakPolarHBondContact OE2-CA 3.25Å
438	G	94.3	Very high	93.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.2	178.8	0	0	0	0	0	114.2	V371 G476 V477	V371-G438 CarbonylContact O-C 3.53Å; V371-G438 WeakPolarHBondContact O-CA 3.39Å; G438-G476 WeakPolarHBondContact O-CA 3.48Å; G438-V477 PolarHBondContact N-O 2.93Å; G438-V477 PolarHBondContact O-N 3.33Å
439	I	96.9	Very high	92.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.2	170.9	-62.5	171.5	0	0	0	107.9	S370 V371 L418 I422 L433 V441 V474 V475 L496 L504	S370-I439 VanDerWaalsContact CA-O 3.31Å; S370-I439 WeakPolarHBondContact CA-O 3Å; V371-I439 HydrophobicContact CG1-CB 3.92Å; V371-I439 PolarHBondContact N-O 2.97Å; V371-I439 PolarHBondContact O-N 2.93Å; L418-I439 HydrophobicContact CD2-CD1 4.34Å; L418-I439 HydrophobicContact CD2-CG1 4.02Å; I422-I439 HydrophobicContact CG2-CD1 3.81Å; L433-I439 HydrophobicContact CD1-CD1 4.04Å; L433-I439 HydrophobicContact CD2-CD1 4.18Å; I439-V441 HydrophobicContact CG2-CG2 4.36Å; I439-V474 HydrophobicContact CG2-CG1 3.93Å; I439-V475 CarbonylContact C-O 3.49Å; I439-V475 WeakPolarHBondContact CA-O 3.45Å; I439-L496 HydrophobicContact CG1-CD1 4.29Å; I439-L496 HydrophobicContact CG2-CD1 4.45Å; I439-L504 HydrophobicContact CD1-CD2 3.87Å; I439-L504 HydrophobicContact CG2-CD2 4.31Å
440	I	96.3	Very high	91.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.5	177.1	-49.8	168.9	0	0	0	107.6	Y368 F369 D374 C442 W447 V475 V477	Y368-I440 HydrophobicContact CD2-CG2 4.15Å; F369-I440 CarbonylContact O-C 3.59Å; F369-I440 WeakPolarHBondContact O-CA 3.19Å; D374-I440 HydrophobicContact CB-CD1 4.49Å; I440-C442 VanDerWaalsContact CG2-SG 3.53Å; I440-W447 HydrophobicContact CD1-CZ2 3.96Å; I440-V475 HydrophobicContact CB-CG2 3.79Å; I440-V475 HydrophobicContact CD1-CG2 4.46Å; I440-V475 PolarHBondContact N-O 3.11Å; I440-V475 PolarHBondContact O-N 2.92Å; I440-V477 HydrophobicContact CD1-CG1 3.99Å
441	V	97.4	Very high	91.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.2	-179.9	-178.3	0	0	0	0	107.9	M365 Y368 F369 I439 L472 E473 V474 V502 I529	M365-V441 HydrophobicContact CE-CG1 4.48Å; Y368-V441 CarbonylContact C-O 3.55Å; Y368-V441 WeakPolarHBondContact CA-O 3.38Å; Y368-V441 VanDerWaalsContact CB-O 3.25Å; Y368-V441 WeakPolarHBondContact CB-O 3.2Å; F369-V441 HydrophobicContact CB-CB 4.4Å; F369-V441 HydrophobicContact CD1-CB 4.4Å; F369-V441 HydrophobicContact CD1-CG2 4.13Å; F369-V441 PolarHBondContact N-O 3.34Å; F369-V441 PolarHBondContact O-N 3.37Å; I439-V441 HydrophobicContact CG2-CG2 4.36Å; V441-L472 HydrophobicContact CG1-CB 3.91Å; V441-L472 HydrophobicContact CG1-CD1 3.73Å; V441-L472 HydrophobicContact CG1-CD2 4.15Å; V441-L472 HydrophobicContact CG1-CG 4.14Å; V441-E473 CarbonylContact C-O 3.56Å; V441-E473 WeakPolarHBondContact CA-O 3.46Å; V441-V474 HydrophobicContact CG1-CG2 4.27Å; V441-V474 HydrophobicContact CG2-CG1 4.28Å; V441-V474 HydrophobicContact CG2-CG2 4.31Å; V441-V502 HydrophobicContact CG1-CG2 4.06Å; V441-V502 HydrophobicContact CG2-CG1 4.08Å; V441-I529 HydrophobicContact CB-CD1 4.1Å; V441-I529 HydrophobicContact CG1-CD1 3.94Å; V441-I529 HydrophobicContact CG2-CD1 4.15Å
442	C	95.6	Very high	90.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.6	-169	-65.4	0	0	0	0	112.7	I440 L453 L472 E473	I440-C442 VanDerWaalsContact CG2-SG 3.53Å; C442-L453 HydrophobicContact CB-CD1 4.21Å; C442-L453 VanDerWaalsContact SG-CD1 3.56Å; C442-L472 WeakPolarHBondContact O-CA 3.24Å; C442-L472 WeakPolarHBondContact O-CD2 3.45Å; C442-E473 HydrophobicContact CB-CB 4.36Å; C442-E473 PolarHBondContact N-O 3.33Å; C442-E473 PolarHBondContact O-N 2.81Å
443	N	95.6	Very high	89.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-96.2	-26.6	167.3	-178.5	51.1	0	0	0	112.2	D344 W346 M365 N366 N367 L472	D344-N443 PolarHBondContact O-ND2 3.33Å; W346-N443 PolarHBondContact NE1-OD1 3.27Å; M365-N443 HydrophobicContact CE-CB 4.48Å; N366-N443 PolarHBondContact O-ND2 2.99Å; N367-N443 WeakPolarHBondContact O-CB 3.41Å; N367-N443 PolarHBondContact O-N 3.4Å; N443-L472 HydrophobicContact CB-CD2 4.09Å
444	I	92.9	Very high	89	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-120	158.2	-177.6	63.4	173.3	0	0	0	110.8	D311 L312 T315 N367 Y446 L467	D311-I444 HydrophobicContact CB-CD1 3.85Å; L312-I444 HydrophobicContact CD1-CG2 4.43Å; T315-I444 HydrophobicContact CG2-CB 3.98Å; T315-I444 HydrophobicContact CG2-CG2 4.11Å; N367-I444 HydrophobicContact CB-CD1 3.65Å; N367-I444 HydrophobicContact CB-CG1 4.14Å; I444-Y446 VanDerWaalsContact C-N 3.28Å; I444-Y446 WeakPolarHBondContact CG1-O 3.33Å; I444-Y446 PolarHBondContact O-N 3.47Å; I444-L467 HydrophobicContact CG2-CB 4.29Å
445	G	86.3	Confident	88.1	Confident	16 Å²	16	22.7 Å²	22.7	17%	0.165	14%	0.136	C	C	.	.	S	Bend	trans	-75.7	-11.5	-178.4	0	0	0	0	0	115.2
446	Y	89.4	Confident	87	Confident	24 Å²	24	19.2 Å²	19.2	9%	0.094	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.3	177.7	-75.2	-93	0	0	0	111.8	N314 T315 I444 G450 C451 R452	N314-Y446 HydrophobicContact CB-CD1 3.75Å; N314-Y446 HydrophobicContact CB-CD2 4.02Å; N314-Y446 HydrophobicContact CB-CE1 3.71Å; N314-Y446 HydrophobicContact CB-CE2 3.99Å; N314-Y446 HydrophobicContact CB-CG 3.87Å; T315-Y446 VanDerWaalsContact OG1-CD2 3.29Å; T315-Y446 WeakPolarHBondContact OG1-CD2 3.43Å; I444-Y446 VanDerWaalsContact C-N 3.28Å; I444-Y446 WeakPolarHBondContact CG1-O 3.33Å; I444-Y446 PolarHBondContact O-N 3.47Å; Y446-G450 WeakPolarHBondContact CD1-O 3.24Å; Y446-C451 CarbonylContact C-O 3.56Å; Y446-C451 WeakPolarHBondContact CA-O 3.35Å; Y446-R452 HydrophobicContact CD1-CG 3.9Å; Y446-R452 HydrophobicContact CE1-CG 3.61Å; Y446-R452 HydrophobicContact CE2-CG 4.3Å; Y446-R452 HydrophobicContact CG-CG 4.4Å; Y446-R452 VanDerWaalsContact OH-CZ 3.28Å; Y446-R452 PolarHBondContact OH-NE 3.43Å; Y446-R452 PolarHBondContact OH-NH2 3.29Å
447	W	89.8	Confident	85.6	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.7	-179.4	167.6	78	0	0	0	110.5	Y368 D374 I440 G449 C451 L453 C483 I486 Q487	Y368-W447 AromaticContact CD2-CD1 3.71Å; Y368-W447 AromaticContact CE1-CD1 3.84Å; Y368-W447 AromaticContact CE2-CD1 3.39Å; Y368-W447 AromaticContact CE2-NE1 3.61Å; Y368-W447 AromaticContact CZ-CD1 3.47Å; Y368-W447 VanDerWaalsContact CZ-CD1 3.47Å; Y368-W447 AromaticContact CZ-NE1 3.94Å; D374-W447 HydrophobicContact CB-CZ2 4.12Å; D374-W447 VanDerWaalsContact OD1-CZ2 3.26Å; D374-W447 WeakPolarHBondContact OD1-CZ2 3.39Å; D374-W447 PolarHBondContact OD1-NE1 3.43Å; I440-W447 HydrophobicContact CD1-CZ2 3.96Å; W447-G449 VanDerWaalsContact C-N 3.32Å; W447-G449 PolarHBondContact O-N 2.82Å; W447-C451 HydrophobicContact CE3-CB 4.18Å; W447-C451 PolarHBondContact N-O 3.48Å; W447-C451 WeakPolarHBondContact O-CA 3.44Å; W447-C451 WeakPolarHBondContact O-CB 3.4Å; W447-C451 PolarHBondContact O-N 3.25Å; W447-L453 HydrophobicContact CB-CD2 3.96Å; W447-L453 HydrophobicContact CB-CG 4.11Å; W447-L453 HydrophobicContact CD2-CD2 4.19Å; W447-L453 HydrophobicContact CE3-CD2 4.08Å; W447-L453 HydrophobicContact CG-CD2 4.15Å; W447-C483 HydrophobicContact CH2-CB 3.92Å; W447-I486 HydrophobicContact CZ3-CB 4.48Å; W447-I486 HydrophobicContact CZ3-CG2 4.12Å; W447-Q487 HydrophobicContact CH2-CG 4.17Å; W447-Q487 HydrophobicContact CZ3-CG 3.7Å
448	G	82.3	Confident	84	Confident	28 Å²	28	27.2 Å²	27.2	29%	0.289	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	27	165.1	0	0	0	0	0	115.4	Y368	Y368-G448 PolarHBondContact OH-N 2.96Å
449	G	80.3	Confident	81.9	Confident	18 Å²	18	35 Å²	35	19%	0.186	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	34.9	175.8	0	0	0	0	0	115.3	D311 K399 W447	D311-G449 WeakPolarHBondContact OD1-CA 3.45Å; D311-G449 PolarHBondContact OD1-N 3.09Å; D311-G449 PolarHBondContact OD2-N 2.82Å; K399-G449 PolarHBondContact NZ-O 3.41Å; K399-G449 VanDerWaalsContact NZ-O 3.1Å; W447-G449 VanDerWaalsContact C-N 3.32Å; W447-G449 PolarHBondContact O-N 2.82Å
450	G	81.2	Confident	80	Confident	31 Å²	31	42.6 Å²	42.6	32%	0.32	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.6	5.1	174.5	0	0	0	0	0	115.5	D311 Y446	D311-G450 PolarHBondContact OD1-N 2.85Å; Y446-G450 WeakPolarHBondContact CD1-O 3.24Å
451	C	83.4	Confident	78.1	Confident	15 Å²	15	48.4 Å²	48.4	10%	0.101	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.8	177.1	174.6	0	0	0	0	110.5	Y446 W447 I486 Q487	Y446-C451 CarbonylContact C-O 3.56Å; Y446-C451 WeakPolarHBondContact CA-O 3.35Å; W447-C451 HydrophobicContact CE3-CB 4.18Å; W447-C451 PolarHBondContact N-O 3.48Å; W447-C451 WeakPolarHBondContact O-CA 3.44Å; W447-C451 WeakPolarHBondContact O-CB 3.4Å; W447-C451 PolarHBondContact O-N 3.25Å; C451-I486 PolarHBondContact SG-O 2.85Å; C451-I486 VanDerWaalsContact SG-O 3.39Å; C451-Q487 HydrophobicContact CB-CG 4.34Å
452	R	83.4	Confident	76.5	Confident	88 Å²	88	50.4 Å²	50.4	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.8	171	-71	178.7	174.3	176.8	8.3	109.3	Y446 W454 E455	Y446-R452 HydrophobicContact CD1-CG 3.9Å; Y446-R452 HydrophobicContact CE1-CG 3.61Å; Y446-R452 HydrophobicContact CE2-CG 4.3Å; Y446-R452 HydrophobicContact CG-CG 4.4Å; Y446-R452 VanDerWaalsContact OH-CZ 3.28Å; Y446-R452 PolarHBondContact OH-NE 3.43Å; Y446-R452 PolarHBondContact OH-NH2 3.29Å; R452-W454 PolarHBondContact O-N 2.68Å; R452-W454 VanDerWaalsContact O-N 3.16Å; R452-E455 HydrophobicContact CB-CB 4.27Å; R452-E455 HydrophobicContact CB-CG 3.78Å; R452-E455 WeakPolarHBondContact CD-OE1 3.5Å; R452-E455 WeakPolarHBondContact CD-OE2 3.17Å; R452-E455 IonicContact CZ-OE1 3.02Å; R452-E455 IonicContact NE-OE1 3.8Å; R452-E455 IonicContact NH1-OE1 3.21Å; R452-E455 PolarHBondContact NH1-OE1 2.9Å
453	L	74.8	Confident	75.1	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.4	-169.3	-74.1	171.9	0	0	0	114.9	C442 W447 P493	C442-L453 HydrophobicContact CB-CD1 4.21Å; C442-L453 VanDerWaalsContact SG-CD1 3.56Å; W447-L453 HydrophobicContact CB-CD2 3.96Å; W447-L453 HydrophobicContact CB-CG 4.11Å; W447-L453 HydrophobicContact CD2-CD2 4.19Å; W447-L453 HydrophobicContact CE3-CD2 4.08Å; W447-L453 HydrophobicContact CG-CD2 4.15Å; L453-P493 HydrophobicContact CB-CG 4.37Å; L453-P493 HydrophobicContact CD2-CG 4.23Å; L453-P493 WeakPolarHBondContact O-CD 3.42Å
454	W	78.5	Confident	74	Confident	52 Å²	52	59.9 Å²	59.9	20%	0.197	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	9.1	-169.3	-48.3	116.4	0	0	0	114.3	R452 C462 T465 V475 P493 R495	R452-W454 PolarHBondContact O-N 2.68Å; R452-W454 VanDerWaalsContact O-N 3.16Å; W454-C462 HydrophobicContact CD2-CB 4.43Å; W454-T465 PolarHBondContact NE1-OG1 3.13Å; W454-V475 HydrophobicContact CH2-CG1 3.43Å; W454-V475 VanDerWaalsContact CH2-CG1 3.43Å; W454-V475 HydrophobicContact CZ2-CG1 3.83Å; W454-V475 HydrophobicContact CZ3-CG1 4.34Å; W454-P493 HydrophobicContact CE3-CG 4.37Å; W454-P493 HydrophobicContact CZ3-CG 4.06Å; W454-R495 HydrophobicContact CH2-CB 4.07Å; W454-R495 HydrophobicContact CH2-CG 3.99Å; W454-R495 HydrophobicContact CZ3-CB 4.21Å
455	E	75.1	Confident	73.4	Confident	80 Å²	80	60.8 Å²	60.8	37%	0.374	36%	0.361	S	S	.	.			trans	-99.9	10.8	-175.9	-67.2	-168.9	169.6	0	0	114.3	R452 K489	R452-E455 HydrophobicContact CB-CB 4.27Å; R452-E455 HydrophobicContact CB-CG 3.78Å; R452-E455 WeakPolarHBondContact CD-OE1 3.5Å; R452-E455 WeakPolarHBondContact CD-OE2 3.17Å; R452-E455 IonicContact CZ-OE1 3.02Å; R452-E455 IonicContact NE-OE1 3.8Å; R452-E455 IonicContact NH1-OE1 3.21Å; R452-E455 PolarHBondContact NH1-OE1 2.9Å; E455-K489 WeakPolarHBondContact OE2-CE 3.48Å; E455-K489 IonicContact OE2-NZ 3.42Å; E455-K489 PolarHBondContact OE2-NZ 3.19Å
456	G	68.8	Low	73.5	Confident	15 Å²	15	66.7 Å²	66.7	16%	0.155	38%	0.378	C	S	.	.	S	Bend	trans	-85.7	178.5	176.5	0	0	0	0	0	113.4	G458 K489 N492	G456-G458 PolarHBondContact O-N 3.11Å; G456-G458 VanDerWaalsContact O-N 3.12Å; G456-K489 WeakPolarHBondContact CA-O 3.45Å; G456-N492 WeakPolarHBondContact CA-OD1 3.29Å; G456-N492 PolarHBondContact N-OD1 3.37Å; G456-N492 PolarHBondContact O-ND2 2.97Å; G456-N492 VanDerWaalsContact O-ND2 3.14Å; G456-N492 PolarHBondContact O-OD1 2.7Å
457	M	61.4	Low	73.7	Confident	151 Å²	151	66.9 Å²	66.9	74%	0.744	38%	0.381	S	S	*	.	S	Bend	trans	-65.4	106.4	175.1	-62.2	-70.5	-79	0	0	111.1	K489	M457-K489 PolarHBondContact N-O 2.98Å; M457-K489 VanDerWaalsContact N-O 3.15Å
458	G	59.8	Low	73.9	Confident	48 Å²	48	69.7 Å²	69.7	50%	0.495	40%	0.396	S	S	.	.			trans	-176.4	165	173.1	0	0	0	0	0	113.7	G456 N492	G456-G458 PolarHBondContact O-N 3.11Å; G456-G458 VanDerWaalsContact O-N 3.12Å; G458-N492 WeakPolarHBondContact CA-ND2 3.39Å; G458-N492 PolarHBondContact N-ND2 3.04Å
459	D	51	Low	74.5	Confident	164 Å²	164	70.8 Å²	70.8	88%	0.877	40%	0.396	S	S	*	.	S	Bend	trans	-90.9	6	-154.1	-76	-28.8	0	0	0	117.7
460	E	56.7	Low	75.2	Confident	159 Å²	159	70.7 Å²	70.7	74%	0.743	39%	0.394	S	S	*	.			trans	-141.5	123.2	178	-73.4	-65.1	163	0	0	113.2	C462	E460-C462 PolarHBondContact O-N 2.73Å
461	P	57.5	Low	75.9	Confident	125 Å²	125	70.9 Å²	70.9	81%	0.812	39%	0.388	S	S	*	.			trans	-66.3	102.3	171.2	26.2	-30.1	0	0	0	109.5
462	C	63.3	Low	76.5	Confident	42 Å²	42	70.2 Å²	70.2	28%	0.284	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-79.4	147.5	172.5	-68.8	0	0	0	0	110.1	W454 E460	W454-C462 HydrophobicContact CD2-CB 4.43Å; E460-C462 PolarHBondContact O-N 2.73Å
463	P	65.1	Low	77	Confident	92 Å²	92	66.4 Å²	66.4	60%	0.597	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-59.1	140.5	171.9	24.7	-31.7	0	0	0	109.6
464	P	72.3	Confident	78	Confident	106 Å²	106	66.3 Å²	66.3	69%	0.688	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-63.4	142	-179.3	26.3	-33.5	0	0	0	110.1	R466	P464-R466 PolarHBondContact O-N 2.8Å
465	T	81.9	Confident	78.8	Confident	20 Å²	20	63.9 Å²	63.9	12%	0.123	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-55.2	125.9	172.8	-55.5	0	0	0	0	109.6	W454 E473	W454-T465 PolarHBondContact NE1-OG1 3.13Å; T465-E473 HydrophobicContact CG2-CG 3.83Å; T465-E473 WeakPolarHBondContact OG1-CG 3.42Å
466	R	88.3	Confident	79.7	Confident	139 Å²	139	60 Å²	60	53%	0.525	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-98.7	140.3	175.1	-58.4	-179.8	61.9	103.2	8.6	108.8	P464 D468 D469	P464-R466 PolarHBondContact O-N 2.8Å; R466-D468 VanDerWaalsContact C-N 3.32Å; R466-D468 IonicContact CZ-OD1 3.99Å; R466-D468 IonicContact NE-OD1 3.6Å; R466-D468 PolarHBondContact NE-OD1 2.87Å; R466-D468 IonicContact NH2-OD1 3.7Å; R466-D468 PolarHBondContact NH2-OD1 3.41Å; R466-D468 IonicContact NH2-OD2 2.66Å; R466-D469 HydrophobicContact CB-CB 4.05Å
467	L	92.1	Very high	80.8	Confident	29 Å²	29	59.4 Å²	59.4	15%	0.152	33%	0.334	C	S	.	.	S	Bend	trans	-89.9	3.2	179.2	62.4	128.8	0	0	0	113.1	T315 L316 V341 K342 M343 D344 I444	T315-L467 HydrophobicContact CG2-CD2 3.8Å; L316-L467 HydrophobicContact CD2-CD1 4.31Å; V341-L467 HydrophobicContact CG2-CD1 4.49Å; K342-L467 WeakPolarHBondContact O-CD1 3.48Å; M343-L467 CarbonylContact C-O 3.57Å; M343-L467 VanDerWaalsContact CA-O 3.32Å; M343-L467 WeakPolarHBondContact CA-O 3.5Å; M343-L467 HydrophobicContact CB-CD1 3.65Å; M343-L467 HydrophobicContact CG-CB 4.32Å; M343-L467 HydrophobicContact CG-CD1 3.77Å; D344-L467 PolarHBondContact N-O 3.17Å; I444-L467 HydrophobicContact CG2-CB 4.29Å
468	D	94.4	Very high	82.3	Confident	60 Å²	60	56.7 Å²	56.7	32%	0.321	32%	0.319	S	S	.	.	S	Bend	trans	-136.7	7.8	-165.8	77.3	-27.8	0	0	0	115.4	K342 D344 R466	K342-D468 HydrophobicContact CB-CB 4.29Å; K342-D468 WeakPolarHBondContact O-CB 3.46Å; D344-D468 VanDerWaalsContact OD2-CA 3.22Å; D344-D468 WeakPolarHBondContact OD2-CA 3.37Å; R466-D468 VanDerWaalsContact C-N 3.32Å; R466-D468 IonicContact CZ-OD1 3.99Å; R466-D468 IonicContact NE-OD1 3.6Å; R466-D468 PolarHBondContact NE-OD1 2.87Å; R466-D468 IonicContact NH2-OD1 3.7Å; R466-D468 PolarHBondContact NH2-OD1 3.41Å; R466-D468 IonicContact NH2-OD2 2.66Å
469	D	94.8	Very high	83.6	Confident	51 Å²	51	54.8 Å²	54.8	27%	0.273	30%	0.299	S	S	.	.	S	Bend	trans	-96.8	-0.6	-173.8	66.7	-3.1	0	0	0	114	D344 R466 L471 Q498	D344-D469 PolarHBondContact OD2-N 2.83Å; D344-D469 VanDerWaalsContact OD2-N 3.14Å; R466-D469 HydrophobicContact CB-CB 4.05Å; D469-L471 VanDerWaalsContact C-N 3.27Å; D469-L471 PolarHBondContact O-N 2.95Å; D469-L471 WeakPolarHBondContact OD1-CB 3.21Å; D469-L471 PolarHBondContact OD1-N 3.49Å; D469-Q498 PolarHBondContact OD2-NE2 3.48Å
470	G	95.3	Very high	85.2	Confident	15 Å²	15	47.3 Å²	47.3	16%	0.155	26%	0.26	C	S	.	.	S	Bend	trans	70.5	21.1	-177.8	0	0	0	0	0	113.4	D344 W346 H500	D344-G470 VanDerWaalsContact OD2-CA 3.3Å; D344-G470 WeakPolarHBondContact OD2-CA 3.41Å; D344-G470 PolarHBondContact OD2-N 2.82Å; W346-G470 VanDerWaalsContact CH2-O 3.28Å; W346-G470 WeakPolarHBondContact CH2-O 3.49Å; G470-H500 PolarHBondContact O-ND1 3.23Å
471	L	95.6	Very high	86.6	Confident	36 Å²	36	45.5 Å²	45.5	19%	0.188	25%	0.25	C	C	.	.			trans	-121.1	154.5	-178.2	-68.1	165.4	0	0	0	111.8	W346 D469 Q498 H500	W346-L471 WeakPolarHBondContact CZ2-O 3.47Å; D469-L471 VanDerWaalsContact C-N 3.27Å; D469-L471 PolarHBondContact O-N 2.95Å; D469-L471 WeakPolarHBondContact OD1-CB 3.21Å; D469-L471 PolarHBondContact OD1-N 3.49Å; L471-Q498 HydrophobicContact CB-CG 3.78Å; L471-Q498 VanDerWaalsContact CB-NE2 3.3Å; L471-Q498 HydrophobicContact CD1-CG 4.23Å; L471-Q498 VanDerWaalsContact CD1-NE2 3.26Å; L471-Q498 HydrophobicContact CD2-CG 4.32Å; L471-Q498 HydrophobicContact CG-CG 4.32Å; L471-H500 WeakPolarHBondContact CD2-CE1 3.43Å
472	L	96	Very high	88	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.5	173.6	-71.2	167.5	0	0	0	110	W346 M365 V441 C442 N443 Q498 A499 V502 I529	W346-L472 HydrophobicContact CD2-CD1 3.78Å; W346-L472 HydrophobicContact CD2-CD2 3.67Å; W346-L472 HydrophobicContact CD2-CG 3.78Å; W346-L472 VanDerWaalsContact CE2-CD2 3.46Å; W346-L472 HydrophobicContact CE3-CD1 3.41Å; W346-L472 VanDerWaalsContact CE3-CD1 3.41Å; W346-L472 HydrophobicContact CE3-CD2 4.19Å; W346-L472 HydrophobicContact CE3-CG 3.78Å; W346-L472 HydrophobicContact CG-CD1 4.5Å; W346-L472 HydrophobicContact CG-CD2 3.99Å; W346-L472 HydrophobicContact CH2-CD1 3.99Å; W346-L472 HydrophobicContact CH2-CD2 4.33Å; W346-L472 HydrophobicContact CH2-CG 3.59Å; W346-L472 HydrophobicContact CZ2-CD1 4.33Å; W346-L472 HydrophobicContact CZ2-CD2 3.84Å; W346-L472 HydrophobicContact CZ2-CG 3.59Å; W346-L472 HydrophobicContact CZ3-CD1 3.52Å; W346-L472 HydrophobicContact CZ3-CD2 4.49Å; W346-L472 HydrophobicContact CZ3-CG 3.69Å; M365-L472 HydrophobicContact CE-CD1 4.35Å; M365-L472 HydrophobicContact CE-CD2 3.48Å; M365-L472 VanDerWaalsContact CE-CD2 3.48Å; V441-L472 HydrophobicContact CG1-CB 3.91Å; V441-L472 HydrophobicContact CG1-CD1 3.73Å; V441-L472 HydrophobicContact CG1-CD2 4.15Å; V441-L472 HydrophobicContact CG1-CG 4.14Å; C442-L472 WeakPolarHBondContact O-CA 3.24Å; C442-L472 WeakPolarHBondContact O-CD2 3.45Å; N443-L472 HydrophobicContact CB-CD2 4.09Å; L472-Q498 VanDerWaalsContact O-CA 3.28Å; L472-Q498 WeakPolarHBondContact O-CA 3.26Å; L472-A499 PolarHBondContact N-O 2.82Å; L472-A499 PolarHBondContact O-N 3.39Å; L472-V502 HydrophobicContact CB-CG2 4.25Å; L472-V502 HydrophobicContact CD1-CG2 3.94Å; L472-I529 HydrophobicContact CD1-CB 4.21Å; L472-I529 HydrophobicContact CD1-CG2 3.56Å
473	E	94.8	Very high	89.2	Confident	9 Å²	9	38.5 Å²	38.5	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.1	168.8	-60.8	-54.7	155.5	0	0	110.1	V441 C442 T465 Q498	V441-E473 CarbonylContact C-O 3.56Å; V441-E473 WeakPolarHBondContact CA-O 3.46Å; C442-E473 HydrophobicContact CB-CB 4.36Å; C442-E473 PolarHBondContact N-O 3.33Å; C442-E473 PolarHBondContact O-N 2.81Å; T465-E473 HydrophobicContact CG2-CG 3.83Å; T465-E473 WeakPolarHBondContact OG1-CG 3.42Å; E473-Q498 WeakPolarHBondContact OE1-CG 3.31Å; E473-Q498 PolarHBondContact OE1-NE2 3.42Å
474	V	95.8	Very high	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.8	179.3	-172.2	0	0	0	0	109.5	L424 L426 I439 V441 L496 G497 V502	L424-V474 HydrophobicContact CD1-CG1 4.4Å; L424-V474 HydrophobicContact CD2-CG1 3.99Å; L426-V474 HydrophobicContact CD2-CB 4.19Å; L426-V474 HydrophobicContact CD2-CG1 4.35Å; L426-V474 HydrophobicContact CD2-CG2 3.69Å; I439-V474 HydrophobicContact CG2-CG1 3.93Å; V441-V474 HydrophobicContact CG1-CG2 4.27Å; V441-V474 HydrophobicContact CG2-CG1 4.28Å; V441-V474 HydrophobicContact CG2-CG2 4.31Å; V474-L496 HydrophobicContact CB-CB 4.44Å; V474-L496 HydrophobicContact CG1-CB 4.16Å; V474-L496 HydrophobicContact CG1-CD1 4.19Å; V474-L496 WeakPolarHBondContact O-CA 3.14Å; V474-L496 WeakPolarHBondContact O-CB 3.2Å; V474-L496 PolarHBondContact O-N 2.84Å; V474-G497 PolarHBondContact N-O 2.89Å; V474-G497 PolarHBondContact O-N 3.25Å; V474-V502 HydrophobicContact CG2-CG1 4.36Å; V474-V502 HydrophobicContact CG2-CG2 3.68Å
475	V	94.4	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.1	-175.5	-53.2	0	0	0	0	112.2	I439 I440 W454 P493 V494	I439-V475 CarbonylContact C-O 3.49Å; I439-V475 WeakPolarHBondContact CA-O 3.45Å; I440-V475 HydrophobicContact CB-CG2 3.79Å; I440-V475 HydrophobicContact CD1-CG2 4.46Å; I440-V475 PolarHBondContact N-O 3.11Å; I440-V475 PolarHBondContact O-N 2.92Å; W454-V475 HydrophobicContact CH2-CG1 3.43Å; W454-V475 VanDerWaalsContact CH2-CG1 3.43Å; W454-V475 HydrophobicContact CZ2-CG1 3.83Å; W454-V475 HydrophobicContact CZ3-CG1 4.34Å; V475-P493 HydrophobicContact CB-CB 3.99Å; V475-P493 HydrophobicContact CB-CG 4.33Å; V475-P493 HydrophobicContact CG1-CG 4.39Å; V475-P493 HydrophobicContact CG2-CB 4.07Å; V475-P493 HydrophobicContact CG2-CG 4.45Å; V475-V494 CarbonylContact C-O 3.52Å; V475-V494 VanDerWaalsContact CA-O 3.26Å; V475-V494 WeakPolarHBondContact CA-O 3.3Å
476	G	94.5	Very high	91.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.9	179.9	0	0	0	0	0	112.5	G438 V494	G438-G476 WeakPolarHBondContact O-CA 3.48Å; G476-V494 PolarHBondContact N-O 3.04Å; G476-V494 PolarHBondContact O-N 3.41Å
477	V	92.8	Very high	91	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.1	173.4	-64.6	0	0	0	0	111.1	E437 G438 I440 I486	E437-V477 PolarHBondContact N-O 3.44Å; G438-V477 PolarHBondContact N-O 2.93Å; G438-V477 PolarHBondContact O-N 3.33Å; I440-V477 HydrophobicContact CD1-CG1 3.99Å; V477-I486 HydrophobicContact CG1-CD1 3.93Å
478	F	91.2	Very high	90.6	Very high	94 Å²	94	28.8 Å²	28.8	41%	0.412	15%	0.149	S	C	.	.	S	Bend	trans	-92.7	-7.4	-174.4	-68.4	-63.2	0	0	0	113.1	S435 L436 E437 H482 V494	S435-F478 WeakPolarHBondContact O-CD1 3.33Å; L436-F478 HydrophobicContact CD2-CD1 3.8Å; L436-F478 HydrophobicContact CD2-CE1 3.69Å; L436-F478 HydrophobicContact CD2-CG 4.44Å; L436-F478 HydrophobicContact CD2-CZ 4.24Å; E437-F478 VanDerWaalsContact CG-O 3.23Å; E437-F478 WeakPolarHBondContact CG-O 3.35Å; F478-H482 HydrophobicContact CB-CB 4.16Å; F478-H482 AromaticContact CD2-CE1 3.7Å; F478-H482 AromaticContact CD2-ND1 3.4Å; F478-H482 WeakPolarHBondContact CD2-ND1 3.44Å; F478-H482 AromaticContact CG-ND1 4Å; F478-H482 PolarHBondContact N-ND1 3.23Å; F478-V494 HydrophobicContact CD2-CG2 4.25Å; F478-V494 HydrophobicContact CE1-CG2 4.37Å; F478-V494 HydrophobicContact CE2-CG2 3.4Å; F478-V494 VanDerWaalsContact CE2-CG2 3.4Å; F478-V494 HydrophobicContact CZ-CG2 3.48Å; F478-V494 VanDerWaalsContact CZ-CG2 3.48Å
479	G	88.7	Confident	90.3	Very high	8 Å²	8	31 Å²	31	8%	0.082	16%	0.155	C	C	.	.			trans	157.8	176.6	-176.8	0	0	0	0	0	111.8	E437 F481 H482 C483	E437-G479 WeakPolarHBondContact OE2-CA 3.25Å; G479-F481 VanDerWaalsContact C-N 3.29Å; G479-F481 PolarHBondContact O-N 3.28Å; G479-H482 PolarHBondContact O-N 3.48Å; G479-C483 PolarHBondContact O-N 2.86Å; G479-C483 VanDerWaalsContact O-N 3.09Å; G479-C483 PolarHBondContact O-SG 2.76Å
480	S	84.7	Confident	89.9	Confident	7 Å²	7	34 Å²	34	5%	0.049	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-35.6	177.7	54.4	0	0	0	0	112.8	G406 C483 A484	G406-S480 CarbonylContact O-C 3.59Å; S480-C483 WeakPolarHBondContact O-CB 3.38Å; S480-C483 PolarHBondContact O-N 2.84Å; S480-A484 PolarHBondContact O-N 3.14Å
481	F	85.1	Confident	89.5	Confident	122 Å²	122	34 Å²	34	54%	0.535	17%	0.169	S	C	.	.	H	α-helix	trans	-65.1	-41.4	175.9	-174.5	-106	0	0	0	111.7	G479 C483 A484 Q485	G479-F481 VanDerWaalsContact C-N 3.29Å; G479-F481 PolarHBondContact O-N 3.28Å; F481-C483 VanDerWaalsContact C-N 3.34Å; F481-C483 PolarHBondContact O-N 3.12Å; F481-A484 WeakPolarHBondContact O-CB 3.35Å; F481-A484 PolarHBondContact O-N 3.19Å; F481-A484 VanDerWaalsContact O-N 3.16Å; F481-Q485 HydrophobicContact CD1-CG 4.21Å; F481-Q485 HydrophobicContact CE1-CG 3.9Å; F481-Q485 HydrophobicContact CZ-CG 4.16Å; F481-Q485 WeakPolarHBondContact O-CG 3.22Å; F481-Q485 PolarHBondContact O-N 2.88Å
482	H	87.4	Confident	89.1	Confident	18 Å²	18	34.2 Å²	34.2	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-42.1	174.7	-172.6	-156.3	0	0	0	111	F478 G479 A484 Q485 I486 N492	F478-H482 HydrophobicContact CB-CB 4.16Å; F478-H482 AromaticContact CD2-CE1 3.7Å; F478-H482 AromaticContact CD2-ND1 3.4Å; F478-H482 WeakPolarHBondContact CD2-ND1 3.44Å; F478-H482 AromaticContact CG-ND1 4Å; F478-H482 PolarHBondContact N-ND1 3.23Å; G479-H482 PolarHBondContact O-N 3.48Å; H482-A484 VanDerWaalsContact C-N 3.31Å; H482-A484 PolarHBondContact O-N 3.5Å; H482-Q485 PolarHBondContact O-N 3.16Å; H482-I486 WeakPolarHBondContact O-CD1 3.19Å; H482-I486 VanDerWaalsContact O-CG1 3.3Å; H482-I486 WeakPolarHBondContact O-CG1 3.48Å; H482-I486 PolarHBondContact O-N 3.21Å; H482-N492 PolarHBondContact CE1-O 2.75Å; H482-N492 PolarHBondContact NE2-O 3.42Å; H482-N492 VanDerWaalsContact NE2-O 3.17Å
483	C	88.3	Confident	88.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-56.1	-44.3	172.2	-68	0	0	0	0	112.3	W447 G479 S480 F481 I486 Q487	W447-C483 HydrophobicContact CH2-CB 3.92Å; G479-C483 PolarHBondContact O-N 2.86Å; G479-C483 VanDerWaalsContact O-N 3.09Å; G479-C483 PolarHBondContact O-SG 2.76Å; S480-C483 WeakPolarHBondContact O-CB 3.38Å; S480-C483 PolarHBondContact O-N 2.84Å; F481-C483 VanDerWaalsContact C-N 3.34Å; F481-C483 PolarHBondContact O-N 3.12Å; C483-I486 PolarHBondContact O-N 3.49Å; C483-Q487 WeakPolarHBondContact O-CG 3.41Å; C483-Q487 PolarHBondContact O-N 3.38Å
484	A	85.3	Confident	88.7	Confident	5 Å²	5	35.9 Å²	35.9	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-42.6	177.6	0	0	0	0	0	111.9	S480 F481 H482 I486 Q487 V488	S480-A484 PolarHBondContact O-N 3.14Å; F481-A484 WeakPolarHBondContact O-CB 3.35Å; F481-A484 PolarHBondContact O-N 3.19Å; F481-A484 VanDerWaalsContact O-N 3.16Å; H482-A484 VanDerWaalsContact C-N 3.31Å; H482-A484 PolarHBondContact O-N 3.5Å; A484-I486 VanDerWaalsContact C-N 3.32Å; A484-I486 PolarHBondContact O-N 3.43Å; A484-Q487 WeakPolarHBondContact O-CB 3.47Å; A484-Q487 PolarHBondContact O-N 2.83Å; A484-V488 WeakPolarHBondContact O-CG2 3.47Å; A484-V488 PolarHBondContact O-N 3.47Å; A484-V488 VanDerWaalsContact O-N 3.16Å
485	Q	86.8	Confident	88.5	Confident	60 Å²	60	41.8 Å²	41.8	28%	0.28	20%	0.204	S	C	.	.	H	α-helix	trans	-60.4	-40.5	175.6	-69.4	176	-64.3	0	0	112.1	F481 H482 V488 K489 L490 A491	F481-Q485 HydrophobicContact CD1-CG 4.21Å; F481-Q485 HydrophobicContact CE1-CG 3.9Å; F481-Q485 HydrophobicContact CZ-CG 4.16Å; F481-Q485 WeakPolarHBondContact O-CG 3.22Å; F481-Q485 PolarHBondContact O-N 2.88Å; H482-Q485 PolarHBondContact O-N 3.16Å; Q485-V488 CarbonylContact O-C 3.6Å; Q485-V488 WeakPolarHBondContact O-CG2 3.42Å; Q485-V488 PolarHBondContact O-N 2.81Å; Q485-K489 PolarHBondContact O-N 2.83Å; Q485-L490 HydrophobicContact CB-CB 4.29Å; Q485-L490 PolarHBondContact O-N 2.89Å; Q485-A491 HydrophobicContact CB-CB 3.76Å; Q485-A491 PolarHBondContact O-N 3.49Å
486	I	86.9	Confident	88.4	Confident	4 Å²	4	43 Å²	43	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-45	175	-65	158.8	0	0	0	110.5	W447 C451 V477 H482 C483 A484 V488 K489 A491 P493	W447-I486 HydrophobicContact CZ3-CB 4.48Å; W447-I486 HydrophobicContact CZ3-CG2 4.12Å; C451-I486 PolarHBondContact SG-O 2.85Å; C451-I486 VanDerWaalsContact SG-O 3.39Å; V477-I486 HydrophobicContact CG1-CD1 3.93Å; H482-I486 WeakPolarHBondContact O-CD1 3.19Å; H482-I486 VanDerWaalsContact O-CG1 3.3Å; H482-I486 WeakPolarHBondContact O-CG1 3.48Å; H482-I486 PolarHBondContact O-N 3.21Å; C483-I486 PolarHBondContact O-N 3.49Å; A484-I486 VanDerWaalsContact C-N 3.32Å; A484-I486 PolarHBondContact O-N 3.43Å; I486-V488 PolarHBondContact O-N 3.39Å; I486-K489 PolarHBondContact O-N 3Å; I486-A491 WeakPolarHBondContact CA-O 3.46Å; I486-A491 HydrophobicContact CG1-CB 4.26Å; I486-P493 HydrophobicContact CD1-CB 3.91Å
487	Q	85.2	Confident	88.4	Confident	46 Å²	46	43.7 Å²	43.7	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-33.1	178.2	-73.3	178.2	-8.4	0	0	113.4	W447 C451 C483 A484	W447-Q487 HydrophobicContact CH2-CG 4.17Å; W447-Q487 HydrophobicContact CZ3-CG 3.7Å; C451-Q487 HydrophobicContact CB-CG 4.34Å; C483-Q487 WeakPolarHBondContact O-CG 3.41Å; C483-Q487 PolarHBondContact O-N 3.38Å; A484-Q487 WeakPolarHBondContact O-CB 3.47Å; A484-Q487 PolarHBondContact O-N 2.83Å
488	V	85.3	Confident	88.5	Confident	68 Å²	68	46.8 Å²	46.8	41%	0.412	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	17.4	176.7	-58.4	0	0	0	0	113.5	F403 A484 Q485 I486 L490	F403-V488 HydrophobicContact CE2-CG1 3.73Å; F403-V488 HydrophobicContact CZ-CG1 4.47Å; A484-V488 WeakPolarHBondContact O-CG2 3.47Å; A484-V488 PolarHBondContact O-N 3.47Å; A484-V488 VanDerWaalsContact O-N 3.16Å; Q485-V488 CarbonylContact O-C 3.6Å; Q485-V488 WeakPolarHBondContact O-CG2 3.42Å; Q485-V488 PolarHBondContact O-N 2.81Å; I486-V488 PolarHBondContact O-N 3.39Å; V488-L490 HydrophobicContact CG2-CB 4.1Å; V488-L490 HydrophobicContact CG2-CD1 3.65Å; V488-L490 HydrophobicContact CG2-CG 3.71Å; V488-L490 PolarHBondContact O-N 3.27Å; V488-L490 VanDerWaalsContact O-N 3.14Å
489	K	87	Confident	88.7	Confident	106 Å²	106	42.3 Å²	42.3	46%	0.461	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	19	177.8	-57.4	-175.3	170.4	-165.8	0	115.2	E455 G456 M457 Q485 I486	E455-K489 WeakPolarHBondContact OE2-CE 3.48Å; E455-K489 IonicContact OE2-NZ 3.42Å; E455-K489 PolarHBondContact OE2-NZ 3.19Å; G456-K489 WeakPolarHBondContact CA-O 3.45Å; M457-K489 PolarHBondContact N-O 2.98Å; M457-K489 VanDerWaalsContact N-O 3.15Å; Q485-K489 PolarHBondContact O-N 2.83Å; I486-K489 PolarHBondContact O-N 3Å
490	L	86.9	Confident	89.1	Confident	114 Å²	114	46.7 Å²	46.7	60%	0.597	23%	0.23	S	C	*	.	S	Bend	trans	-89.1	-8.4	178.3	-68.1	180	0	0	0	114	Q485 V488	Q485-L490 HydrophobicContact CB-CB 4.29Å; Q485-L490 PolarHBondContact O-N 2.89Å; V488-L490 HydrophobicContact CG2-CB 4.1Å; V488-L490 HydrophobicContact CG2-CD1 3.65Å; V488-L490 HydrophobicContact CG2-CG 3.71Å; V488-L490 PolarHBondContact O-N 3.27Å; V488-L490 VanDerWaalsContact O-N 3.14Å
491	A	86.8	Confident	89.7	Confident	14 Å²	14	48.9 Å²	48.9	12%	0.116	24%	0.243	C	C	.	.			trans	-151.3	159.6	176.7	0	0	0	0	0	110.8	Q485 I486	Q485-A491 HydrophobicContact CB-CB 3.76Å; Q485-A491 PolarHBondContact O-N 3.49Å; I486-A491 WeakPolarHBondContact CA-O 3.46Å; I486-A491 HydrophobicContact CG1-CB 4.26Å
492	N	87.9	Confident	90.4	Very high	41 Å²	41	43.1 Å²	43.1	22%	0.219	22%	0.218	C	C	.	.			trans	-108.2	146.5	169.8	-75.4	-31.7	0	0	0	110.5	G456 G458 H482	G456-N492 WeakPolarHBondContact CA-OD1 3.29Å; G456-N492 PolarHBondContact N-OD1 3.37Å; G456-N492 PolarHBondContact O-ND2 2.97Å; G456-N492 VanDerWaalsContact O-ND2 3.14Å; G456-N492 PolarHBondContact O-OD1 2.7Å; G458-N492 WeakPolarHBondContact CA-ND2 3.39Å; G458-N492 PolarHBondContact N-ND2 3.04Å; H482-N492 PolarHBondContact CE1-O 2.75Å; H482-N492 PolarHBondContact NE2-O 3.42Å; H482-N492 VanDerWaalsContact NE2-O 3.17Å
493	P	90.1	Very high	90.9	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.052	23%	0.231	C	C	.	.			trans	-66.8	158.9	174.2	33	-37.2	0	0	0	111.1	L453 W454 V475 I486 R495	L453-P493 HydrophobicContact CB-CG 4.37Å; L453-P493 HydrophobicContact CD2-CG 4.23Å; L453-P493 WeakPolarHBondContact O-CD 3.42Å; W454-P493 HydrophobicContact CE3-CG 4.37Å; W454-P493 HydrophobicContact CZ3-CG 4.06Å; V475-P493 HydrophobicContact CB-CB 3.99Å; V475-P493 HydrophobicContact CB-CG 4.33Å; V475-P493 HydrophobicContact CG1-CG 4.39Å; V475-P493 HydrophobicContact CG2-CB 4.07Å; V475-P493 HydrophobicContact CG2-CG 4.45Å; I486-P493 HydrophobicContact CD1-CB 3.91Å; P493-R495 PolarHBondContact O-N 3.4Å
494	V	91.4	Very high	91.3	Very high	37 Å²	37	46.8 Å²	46.8	22%	0.224	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115	176.9	-178.1	0	0	0	0	109.1	P434 L436 V475 G476 F478 L496	P434-V494 HydrophobicContact CG-CG1 4.1Å; L436-V494 HydrophobicContact CD2-CB 4.31Å; L436-V494 HydrophobicContact CD2-CG2 4.08Å; V475-V494 CarbonylContact C-O 3.52Å; V475-V494 VanDerWaalsContact CA-O 3.26Å; V475-V494 WeakPolarHBondContact CA-O 3.3Å; G476-V494 PolarHBondContact N-O 3.04Å; G476-V494 PolarHBondContact O-N 3.41Å; F478-V494 HydrophobicContact CD2-CG2 4.25Å; F478-V494 HydrophobicContact CE1-CG2 4.37Å; F478-V494 HydrophobicContact CE2-CG2 3.4Å; F478-V494 VanDerWaalsContact CE2-CG2 3.4Å; F478-V494 HydrophobicContact CZ-CG2 3.48Å; F478-V494 VanDerWaalsContact CZ-CG2 3.48Å; V494-L496 HydrophobicContact CG1-CD2 4.35Å; V494-L496 PolarHBondContact O-N 2.88Å
495	R	91.2	Very high	91.9	Very high	124 Å²	124	47.2 Å²	47.2	47%	0.468	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.8	176.1	-170.6	169	-174.2	-115.5	-0.7	110.6	W454 P493	W454-R495 HydrophobicContact CH2-CB 4.07Å; W454-R495 HydrophobicContact CH2-CG 3.99Å; W454-R495 HydrophobicContact CZ3-CB 4.21Å; P493-R495 PolarHBondContact O-N 3.4Å
496	L	94	Very high	92.3	Very high	24 Å²	24	44.4 Å²	44.4	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-27.1	177.3	-62.1	174.9	0	0	0	112.2	L424 L433 L436 I439 V474 V494	L424-L496 HydrophobicContact CD2-CB 4.24Å; L424-L496 HydrophobicContact CD2-CD1 3.9Å; L433-L496 HydrophobicContact CD2-CD1 3.94Å; L433-L496 HydrophobicContact CD2-CD2 4.14Å; L436-L496 HydrophobicContact CD1-CD1 4Å; L436-L496 HydrophobicContact CD1-CD2 4.07Å; I439-L496 HydrophobicContact CG1-CD1 4.29Å; I439-L496 HydrophobicContact CG2-CD1 4.45Å; V474-L496 HydrophobicContact CB-CB 4.44Å; V474-L496 HydrophobicContact CG1-CB 4.16Å; V474-L496 HydrophobicContact CG1-CD1 4.19Å; V474-L496 WeakPolarHBondContact O-CA 3.14Å; V474-L496 WeakPolarHBondContact O-CB 3.2Å; V474-L496 PolarHBondContact O-N 2.84Å; V494-L496 HydrophobicContact CG1-CD2 4.35Å; V494-L496 PolarHBondContact O-N 2.88Å
497	G	93.1	Very high	92.5	Very high	15 Å²	15	48.8 Å²	48.8	16%	0.155	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-171.3	173.6	0	0	0	0	0	112.4	V474	V474-G497 PolarHBondContact N-O 2.89Å; V474-G497 PolarHBondContact O-N 3.25Å
498	Q	94.6	Very high	92.4	Very high	66 Å²	66	49.3 Å²	49.3	31%	0.308	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.4	176	-169.5	-175.9	21.6	0	0	107.8	D469 L471 L472 E473	D469-Q498 PolarHBondContact OD2-NE2 3.48Å; L471-Q498 HydrophobicContact CB-CG 3.78Å; L471-Q498 VanDerWaalsContact CB-NE2 3.3Å; L471-Q498 HydrophobicContact CD1-CG 4.23Å; L471-Q498 VanDerWaalsContact CD1-NE2 3.26Å; L471-Q498 HydrophobicContact CD2-CG 4.32Å; L471-Q498 HydrophobicContact CG-CG 4.32Å; L472-Q498 VanDerWaalsContact O-CA 3.28Å; L472-Q498 WeakPolarHBondContact O-CA 3.26Å; E473-Q498 WeakPolarHBondContact OE1-CG 3.31Å; E473-Q498 PolarHBondContact OE1-NE2 3.42Å
499	A	96.4	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	153	-173.6	0	0	0	0	0	114.2	L426 D427 L472 V502	L426-A499 HydrophobicContact CB-CB 3.87Å; L426-A499 HydrophobicContact CD2-CB 3.94Å; L426-A499 HydrophobicContact CG-CB 4.35Å; D427-A499 WeakPolarHBondContact OD2-CA 3.12Å; L472-A499 PolarHBondContact N-O 2.82Å; L472-A499 PolarHBondContact O-N 3.39Å; A499-V502 HydrophobicContact CB-CG2 4.18Å
500	H	96.8	Very high	92.6	Very high	101 Å²	101	48.4 Å²	48.4	47%	0.468	25%	0.254	S	S	.	.	S	Bend	trans	-80.7	-25.6	168.7	-68.5	-68.3	0	0	0	112.8	W346 D427 G470 L471	W346-H500 WeakPolarHBondContact CZ3-O 3.2Å; D427-H500 WeakPolarHBondContact OD1-CA 3.47Å; D427-H500 WeakPolarHBondContact OD1-CB 3.36Å; D427-H500 PolarHBondContact OD1-N 3.32Å; D427-H500 PolarHBondContact OD2-N 3.28Å; D427-H500 VanDerWaalsContact OD2-N 3.15Å; G470-H500 PolarHBondContact O-ND1 3.23Å; L471-H500 WeakPolarHBondContact CD2-CE1 3.43Å
501	T	98.1	Very high	92.9	Very high	53 Å²	53	43 Å²	43	33%	0.325	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	123.3	179	-63.7	0	0	0	0	109.8	D427 T528 I529 T530	D427-T501 PolarHBondContact N-O 2.78Å; D427-T501 PolarHBondContact OD1-N 2.96Å; T501-T528 HydrophobicContact CG2-CG2 4.36Å; T501-I529 WeakPolarHBondContact CA-O 3.37Å; T501-T530 HydrophobicContact CG2-CG2 3.79Å
502	V	98.6	Very high	93.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.3	176.8	-176.8	0	0	0	0	109	L424 L426 V441 L472 V474 A499 L504 T528 I529	L424-V502 HydrophobicContact CD1-CG1 3.83Å; L426-V502 HydrophobicContact CD2-CB 4.49Å; L426-V502 HydrophobicContact CD2-CG1 4.12Å; L426-V502 HydrophobicContact CD2-CG2 4.02Å; V441-V502 HydrophobicContact CG1-CG2 4.06Å; V441-V502 HydrophobicContact CG2-CG1 4.08Å; L472-V502 HydrophobicContact CB-CG2 4.25Å; L472-V502 HydrophobicContact CD1-CG2 3.94Å; V474-V502 HydrophobicContact CG2-CG1 4.36Å; V474-V502 HydrophobicContact CG2-CG2 3.68Å; A499-V502 HydrophobicContact CB-CG2 4.18Å; V502-L504 HydrophobicContact CG1-CD1 4.42Å; V502-L504 HydrophobicContact CG1-CG 4.36Å; V502-T528 WeakPolarHBondContact O-CA 3.48Å; V502-I529 HydrophobicContact CB-CB 4.27Å; V502-I529 PolarHBondContact N-O 3.4Å; V502-I529 PolarHBondContact O-N 3.43Å
503	R	98.3	Very high	93.6	Very high	95 Å²	95	40.7 Å²	40.7	36%	0.358	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.8	175.1	-172.9	170.4	83.5	-140.3	19.9	110.7	E425 V505 T526 I527	E425-R503 HydrophobicContact CB-CB 4.26Å; E425-R503 PolarHBondContact N-O 3.47Å; E425-R503 PolarHBondContact O-N 2.83Å; E425-R503 IonicContact OE1-CZ 3.13Å; E425-R503 IonicContact OE1-NE 3.5Å; E425-R503 IonicContact OE1-NH2 2.74Å; E425-R503 PolarHBondContact OE1-NH2 2.79Å; E425-R503 IonicContact OE2-CZ 2.86Å; E425-R503 IonicContact OE2-NE 2.82Å; E425-R503 PolarHBondContact OE2-NE 2.87Å; E425-R503 IonicContact OE2-NH1 3.09Å; E425-R503 PolarHBondContact OE2-NH1 3.43Å; E425-R503 VanDerWaalsContact OE2-NH1 3.09Å; E425-R503 IonicContact OE2-NH2 2.61Å; E425-R503 PolarHBondContact OE2-NH2 3.43Å; R503-V505 HydrophobicContact CG-CG2 4.49Å; R503-T526 HydrophobicContact CG-CG2 4.02Å; R503-I527 WeakPolarHBondContact CA-O 3.24Å
504	L	97.4	Very high	93.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.2	177.9	-63.3	144.8	0	0	0	109.1	F369 I422 E423 L424 I439 V502 T526 I527	F369-L504 HydrophobicContact CD1-CD1 4.17Å; F369-L504 HydrophobicContact CE1-CD1 3.55Å; F369-L504 HydrophobicContact CZ-CD1 4.31Å; I422-L504 HydrophobicContact CD1-CB 4.07Å; I422-L504 HydrophobicContact CD1-CD2 3.71Å; I422-L504 HydrophobicContact CD1-CG 4.47Å; I422-L504 HydrophobicContact CG1-CB 4.33Å; I422-L504 HydrophobicContact CG1-CD2 4.24Å; E423-L504 CarbonylContact O-C 3.56Å; E423-L504 WeakPolarHBondContact O-CA 3.31Å; L424-L504 HydrophobicContact CD1-CD2 3.71Å; L424-L504 HydrophobicContact CD1-CG 4.2Å; I439-L504 HydrophobicContact CD1-CD2 3.87Å; I439-L504 HydrophobicContact CG2-CD2 4.31Å; V502-L504 HydrophobicContact CG1-CD1 4.42Å; V502-L504 HydrophobicContact CG1-CG 4.36Å; L504-T526 WeakPolarHBondContact O-CA 3.35Å; L504-I527 HydrophobicContact CB-CB 4.23Å; L504-I527 PolarHBondContact N-O 2.7Å; L504-I527 PolarHBondContact O-N 3.49Å
505	V	96.7	Very high	94.1	Very high	15 Å²	15	39 Å²	39	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	103.2	177.5	-175	0	0	0	0	109.4	I422 E423 R503 K507 T526	I422-V505 WeakPolarHBondContact CA-O 3.21Å; E423-V505 HydrophobicContact CB-CB 4.23Å; E423-V505 PolarHBondContact N-O 2.86Å; E423-V505 PolarHBondContact O-N 2.94Å; R503-V505 HydrophobicContact CG-CG2 4.49Å; V505-K507 PolarHBondContact O-N 3.44Å; V505-T526 HydrophobicContact CG2-CG2 4.2Å
506	L	94.9	Very high	94.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.8	172	-177.2	62.2	0	0	0	109.1	R421 S508 M511 M513 Q522 P524 C525	R421-L506 HydrophobicContact CB-CD1 4.28Å; L506-S508 WeakPolarHBondContact CD1-O 3.29Å; L506-M511 HydrophobicContact CD1-CG 3.78Å; L506-M511 HydrophobicContact CD2-CB 4.15Å; L506-M511 HydrophobicContact CD2-CG 4.06Å; L506-M513 HydrophobicContact CD2-CE 3.88Å; L506-Q522 WeakPolarHBondContact CD2-O 3.48Å; L506-P524 WeakPolarHBondContact O-CA 3.3Å; L506-C525 PolarHBondContact N-O 2.95Å; L506-C525 PolarHBondContact O-N 3.32Å
507	K	90.9	Very high	94	Very high	96 Å²	96	34.8 Å²	34.8	42%	0.417	20%	0.196	S	C	.	.			trans	-80.2	-43.5	-174.3	-66.1	178.3	177.5	167.4	0	112.8	R421 E423 V505	R421-K507 WeakPolarHBondContact O-CB 3.34Å; R421-K507 PolarHBondContact O-N 2.81Å; E423-K507 VanDerWaalsContact CD-NZ 3.28Å; E423-K507 VanDerWaalsContact CG-CE 3.46Å; E423-K507 WeakPolarHBondContact OE1-CE 3.36Å; E423-K507 IonicContact OE1-NZ 2.76Å; E423-K507 PolarHBondContact OE1-NZ 2.81Å; V505-K507 PolarHBondContact O-N 3.44Å
508	S	84.8	Confident	93.9	Very high	57 Å²	57	39.7 Å²	39.7	40%	0.399	22%	0.215	S	C	.	.	S	Bend	trans	-147.9	164.3	-171.3	54.8	0	0	0	0	110.9	L506	L506-S508 WeakPolarHBondContact CD1-O 3.29Å
509	S	85.3	Confident	93.9	Very high	65 Å²	65	37.5 Å²	37.5	46%	0.455	21%	0.207	S	C	.	.	S	Bend	trans	65.3	165.5	178.5	-55.3	0	0	0	0	114.8
510	T	90.9	Very high	93.8	Very high	89 Å²	89	39 Å²	39	55%	0.546	21%	0.212	S	C	.	.			trans	-93.7	132.9	171.4	-59.3	0	0	0	0	108.5	A521 Q522	T510-A521 HydrophobicContact CG2-CB 3.79Å; T510-Q522 CarbonylContact C-O 3.56Å; T510-Q522 VanDerWaalsContact CA-O 3.26Å; T510-Q522 WeakPolarHBondContact CA-O 3.28Å
511	M	92.8	Very high	93.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.8	177.2	-67.2	-63.5	-60.3	0	0	110.8	V371 C415 L418 R421 L506 M513 Q522	V371-M511 HydrophobicContact CG2-CB 3.94Å; V371-M511 HydrophobicContact CG2-CE 4.47Å; C415-M511 HydrophobicContact CB-CE 4.04Å; L418-M511 HydrophobicContact CD1-CE 3.73Å; R421-M511 PolarHBondContact NH1-SD 3.07Å; R421-M511 VanDerWaalsContact NH1-SD 3.41Å; L506-M511 HydrophobicContact CD1-CG 3.78Å; L506-M511 HydrophobicContact CD2-CB 4.15Å; L506-M511 HydrophobicContact CD2-CG 4.06Å; M511-M513 HydrophobicContact CB-CE 4.43Å; M511-Q522 PolarHBondContact N-O 3.28Å; M511-Q522 PolarHBondContact O-N 3.27Å
512	P	94.1	Very high	93.4	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.8	169.8	29.3	-32.9	0	0	0	110.1	V371 G372 A375 L376 L379	V371-P512 WeakPolarHBondContact CA-O 3.29Å; G372-P512 PolarHBondContact N-O 2.97Å; G372-P512 VanDerWaalsContact N-O 3.13Å; A375-P512 HydrophobicContact CB-CB 4.23Å; A375-P512 WeakPolarHBondContact CB-O 3.27Å; L376-P512 HydrophobicContact CB-CB 4.09Å; L376-P512 HydrophobicContact CB-CG 3.76Å; L376-P512 HydrophobicContact CD1-CB 4.24Å; L376-P512 HydrophobicContact CD1-CG 4.15Å; L376-P512 HydrophobicContact CG-CG 4.41Å; L379-P512 HydrophobicContact CD2-CB 4.27Å
513	M	96.3	Very high	93.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155	177.4	-64.1	-177.3	-176.3	0	0	110.5	F369 S370 V371 A375 L506 M511 P519 W520 Q522 I527	F369-M513 HydrophobicContact CE2-CB 4.18Å; F369-M513 HydrophobicContact CE2-CG 4.48Å; F369-M513 HydrophobicContact CE2-SD 4.28Å; F369-M513 HydrophobicContact CZ-CB 4.41Å; F369-M513 HydrophobicContact CZ-CG 4.25Å; F369-M513 HydrophobicContact CZ-SD 4.03Å; S370-M513 CarbonylContact O-C 3.51Å; S370-M513 VanDerWaalsContact O-CA 3.26Å; S370-M513 WeakPolarHBondContact O-CA 3.37Å; V371-M513 HydrophobicContact CB-CE 4.48Å; V371-M513 HydrophobicContact CB-CG 4.01Å; V371-M513 HydrophobicContact CG2-CE 3.91Å; V371-M513 HydrophobicContact CG2-CG 3.91Å; A375-M513 VanDerWaalsContact CB-C 3.47Å; A375-M513 VanDerWaalsContact CB-CA 3.45Å; L506-M513 HydrophobicContact CD2-CE 3.88Å; M511-M513 HydrophobicContact CB-CE 4.43Å; M513-P519 CarbonylContact O-C 3.46Å; M513-P519 VanDerWaalsContact O-CA 3.27Å; M513-P519 WeakPolarHBondContact O-CA 3.24Å; M513-W520 HydrophobicContact CB-CD2 4.13Å; M513-W520 HydrophobicContact CB-CE3 4.36Å; M513-W520 HydrophobicContact CB-CH2 3.83Å; M513-W520 HydrophobicContact CB-CZ2 3.57Å; M513-W520 HydrophobicContact CB-CZ3 4.24Å; M513-W520 HydrophobicContact CG-CZ2 4.42Å; M513-W520 PolarHBondContact N-O 2.83Å; M513-W520 PolarHBondContact O-N 2.83Å; M513-W520 VanDerWaalsContact O-O 3.12Å; M513-W520 HydrophobicContact SD-CZ2 4.02Å; M513-Q522 HydrophobicContact CE-CB 3.74Å; M513-Q522 HydrophobicContact CE-CG 3.65Å; M513-Q522 HydrophobicContact CG-CB 4.01Å; M513-Q522 HydrophobicContact SD-CB 3.42Å; M513-Q522 WeakPolarHBondContact SD-CB 3.39Å; M513-Q522 HydrophobicContact SD-CG 3.46Å; M513-Q522 WeakPolarHBondContact SD-CG 3.19Å; M513-I527 HydrophobicContact CE-CD1 3.62Å; M513-I527 HydrophobicContact SD-CD1 3.33Å; M513-I527 WeakPolarHBondContact SD-CD1 3.45Å
514	Q	95.2	Very high	92.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157.3	173.2	69.6	76.9	31.2	0	0	111.3	F369 S370 A375 A378 E518 P519	F369-Q514 WeakPolarHBondContact CA-O 3.21Å; F369-Q514 WeakPolarHBondContact CD2-O 3.48Å; S370-Q514 PolarHBondContact N-O 3.38Å; S370-Q514 PolarHBondContact O-N 3.03Å; S370-Q514 VanDerWaalsContact OG-CG 3.23Å; S370-Q514 WeakPolarHBondContact OG-CG 3.35Å; S370-Q514 PolarHBondContact OG-NE2 2.86Å; A375-Q514 HydrophobicContact CB-CB 4.15Å; A375-Q514 HydrophobicContact CB-CG 3.86Å; A378-Q514 HydrophobicContact CB-CB 4.4Å; A378-Q514 HydrophobicContact CB-CG 4.37Å; Q514-E518 WeakPolarHBondContact CA-O 3.26Å; Q514-P519 HydrophobicContact CB-CB 4.1Å
515	V	95.9	Very high	92.8	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.5	167.8	174.3	0	0	0	0	107.4	V348 L363 S364 M365 F369 G517 E518 W520	V348-V515 HydrophobicContact CB-CG2 4.5Å; V348-V515 HydrophobicContact CG1-CG2 4.35Å; V348-V515 HydrophobicContact CG2-CG2 4.2Å; L363-V515 HydrophobicContact CD1-CB 4.49Å; L363-V515 HydrophobicContact CD1-CG2 4Å; S364-V515 WeakPolarHBondContact O-CG1 3.32Å; M365-V515 HydrophobicContact CB-CG1 3.69Å; M365-V515 HydrophobicContact CG-CG1 4.01Å; F369-V515 HydrophobicContact CB-CG2 4.38Å; F369-V515 HydrophobicContact CD2-CG2 3.66Å; V515-G517 PolarHBondContact O-N 2.82Å; V515-E518 PolarHBondContact N-O 3.31Å; V515-E518 WeakPolarHBondContact O-CB 3.1Å; V515-E518 PolarHBondContact O-N 3.41Å; V515-W520 HydrophobicContact CB-CZ3 4.41Å; V515-W520 HydrophobicContact CG2-CH2 3.84Å; V515-W520 HydrophobicContact CG2-CZ3 3.94Å
516	D	93.9	Very high	92.8	Very high	26 Å²	26	35.6 Å²	35.6	14%	0.139	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	34.2	177	-62.6	-6.5	0	0	0	114.1	N366 N367 Y368	N366-D516 PolarHBondContact N-OD1 3.24Å; N366-D516 PolarHBondContact N-OD2 3.27Å; N366-D516 PolarHBondContact ND2-OD2 3.3Å; N367-D516 WeakPolarHBondContact CA-OD1 3.5Å; N367-D516 WeakPolarHBondContact CB-OD1 3.37Å; N367-D516 PolarHBondContact N-OD1 2.94Å; Y368-D516 PolarHBondContact N-OD1 3.46Å; Y368-D516 VanDerWaalsContact N-OD1 3.1Å; Y368-D516 PolarHBondContact O-N 3.23Å
517	G	89.3	Confident	92.9	Very high	34 Å²	34	35.6 Å²	35.6	35%	0.351	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-0.8	-179.6	0	0	0	0	0	115.6	V515 P519	V515-G517 PolarHBondContact O-N 2.82Å; G517-P519 VanDerWaalsContact O-CD 3.29Å; G517-P519 WeakPolarHBondContact O-CD 3.39Å
518	E	91.3	Very high	93.2	Very high	118 Å²	118	32.9 Å²	32.9	55%	0.551	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	104.6	178	-65.2	-65.2	149	0	0	111.2	Q514 V515	Q514-E518 WeakPolarHBondContact CA-O 3.26Å; V515-E518 PolarHBondContact N-O 3.31Å; V515-E518 WeakPolarHBondContact O-CB 3.1Å; V515-E518 PolarHBondContact O-N 3.41Å
519	P	93.8	Very high	93.9	Very high	20 Å²	20	30.1 Å²	30.1	13%	0.13	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	155.5	-169.2	38.1	-36.1	0	0	0	114	A378 L379 H382 M513 Q514 G517	A378-P519 HydrophobicContact CB-CB 4Å; A378-P519 HydrophobicContact CB-CG 4.37Å; L379-P519 HydrophobicContact CB-CB 3.89Å; L379-P519 HydrophobicContact CB-CG 4.37Å; L379-P519 HydrophobicContact CD1-CB 3.99Å; L379-P519 HydrophobicContact CD1-CG 4.15Å; H382-P519 HydrophobicContact CB-CG 3.69Å; M513-P519 CarbonylContact O-C 3.46Å; M513-P519 VanDerWaalsContact O-CA 3.27Å; M513-P519 WeakPolarHBondContact O-CA 3.24Å; Q514-P519 HydrophobicContact CB-CB 4.1Å; G517-P519 VanDerWaalsContact O-CD 3.29Å; G517-P519 WeakPolarHBondContact O-CD 3.39Å
520	W	94	Very high	94.5	Very high	33 Å²	33	29 Å²	29	13%	0.125	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	163.8	169.1	73.7	101.5	0	0	0	112.3	V350 L363 F369 M513 V515	V350-W520 HydrophobicContact CG2-CZ2 4.38Å; L363-W520 HydrophobicContact CD1-CH2 3.97Å; L363-W520 HydrophobicContact CD1-CZ3 4.06Å; F369-W520 HydrophobicContact CD2-CH2 4.32Å; F369-W520 AromaticContact CE2-CH2 3.91Å; F369-W520 HydrophobicContact CE2-CH2 3.91Å; F369-W520 HydrophobicContact CE2-CZ2 4.35Å; M513-W520 HydrophobicContact CB-CD2 4.13Å; M513-W520 HydrophobicContact CB-CE3 4.36Å; M513-W520 HydrophobicContact CB-CH2 3.83Å; M513-W520 HydrophobicContact CB-CZ2 3.57Å; M513-W520 HydrophobicContact CB-CZ3 4.24Å; M513-W520 HydrophobicContact CG-CZ2 4.42Å; M513-W520 PolarHBondContact N-O 2.83Å; M513-W520 PolarHBondContact O-N 2.83Å; M513-W520 VanDerWaalsContact O-O 3.12Å; M513-W520 HydrophobicContact SD-CZ2 4.02Å; V515-W520 HydrophobicContact CB-CZ3 4.41Å; V515-W520 HydrophobicContact CG2-CH2 3.84Å; V515-W520 HydrophobicContact CG2-CZ3 3.94Å
521	A	93	Very high	94.8	Very high	64 Å²	64	28.8 Å²	28.8	53%	0.529	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.1	170.9	0	0	0	0	0	110.5	T510	T510-A521 HydrophobicContact CG2-CB 3.79Å
522	Q	93.8	Very high	95	Very high	20 Å²	20	32.4 Å²	32.4	9%	0.093	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.4	-171.7	-175.4	54.3	61	0	0	112	L506 T510 M511 M513 C525	L506-Q522 WeakPolarHBondContact CD2-O 3.48Å; T510-Q522 CarbonylContact C-O 3.56Å; T510-Q522 VanDerWaalsContact CA-O 3.26Å; T510-Q522 WeakPolarHBondContact CA-O 3.28Å; M511-Q522 PolarHBondContact N-O 3.28Å; M511-Q522 PolarHBondContact O-N 3.27Å; M513-Q522 HydrophobicContact CE-CB 3.74Å; M513-Q522 HydrophobicContact CE-CG 3.65Å; M513-Q522 HydrophobicContact CG-CB 4.01Å; M513-Q522 HydrophobicContact SD-CB 3.42Å; M513-Q522 WeakPolarHBondContact SD-CB 3.39Å; M513-Q522 HydrophobicContact SD-CG 3.46Å; M513-Q522 WeakPolarHBondContact SD-CG 3.19Å; Q522-C525 HydrophobicContact CG-CB 4.4Å; Q522-C525 WeakPolarHBondContact CG-SG 3.21Å
523	G	92.9	Very high	95	Very high	22 Å²	22	33.6 Å²	33.6	23%	0.227	20%	0.198	C	C	.	.			trans	-77.4	-176.3	168.9	0	0	0	0	0	113	C525	G523-C525 PolarHBondContact O-N 3.25Å
524	P	94.2	Very high	94.9	Very high	47 Å²	47	36.9 Å²	36.9	31%	0.305	21%	0.213	S	C	.	.	S	Bend	trans	-50.1	122.6	-175.3	-29.8	36.8	0	0	0	114	K353 L506	K353-P524 PolarHBondContact N-O 2.97Å; L506-P524 WeakPolarHBondContact O-CA 3.3Å
525	C	94.9	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	167.2	-174	65.2	0	0	0	0	111.9	V350 A351 L506 Q522 G523	V350-C525 HydrophobicContact CG1-CB 3.99Å; A351-C525 CarbonylContact O-C 3.49Å; A351-C525 VanDerWaalsContact O-CA 3.24Å; A351-C525 WeakPolarHBondContact O-CA 3.34Å; A351-C525 WeakPolarHBondContact O-CB 3.38Å; L506-C525 PolarHBondContact N-O 2.95Å; L506-C525 PolarHBondContact O-N 3.32Å; Q522-C525 HydrophobicContact CG-CB 4.4Å; Q522-C525 WeakPolarHBondContact CG-SG 3.21Å; G523-C525 PolarHBondContact O-N 3.25Å
526	T	96.2	Very high	94.9	Very high	39 Å²	39	40.7 Å²	40.7	24%	0.239	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.9	162.2	-55.8	0	0	0	0	108.1	A351 R503 L504 V505	A351-T526 PolarHBondContact N-O 3.18Å; A351-T526 PolarHBondContact O-N 2.8Å; R503-T526 HydrophobicContact CG-CG2 4.02Å; L504-T526 WeakPolarHBondContact O-CA 3.35Å; V505-T526 HydrophobicContact CG2-CG2 4.2Å
527	I	97.6	Very high	95	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.1	174.6	-54.1	172.4	0	0	0	107.2	V348 Q349 V350 F369 R503 L504 M513 I529	V348-I527 HydrophobicContact CG1-CG2 3.79Å; Q349-I527 CarbonylContact O-C 3.47Å; Q349-I527 VanDerWaalsContact O-CA 3.29Å; Q349-I527 WeakPolarHBondContact O-CA 3.3Å; V350-I527 HydrophobicContact CG1-CG1 4.35Å; V350-I527 HydrophobicContact CG2-CG1 4.32Å; F369-I527 HydrophobicContact CE1-CD1 4.5Å; F369-I527 HydrophobicContact CE2-CD1 4.11Å; F369-I527 HydrophobicContact CZ-CD1 3.6Å; R503-I527 WeakPolarHBondContact CA-O 3.24Å; L504-I527 HydrophobicContact CB-CB 4.23Å; L504-I527 PolarHBondContact N-O 2.7Å; L504-I527 PolarHBondContact O-N 3.49Å; M513-I527 HydrophobicContact CE-CD1 3.62Å; M513-I527 HydrophobicContact SD-CD1 3.33Å; M513-I527 WeakPolarHBondContact SD-CD1 3.45Å; I527-I529 HydrophobicContact CG2-CG1 4.17Å
528	T	98.1	Very high	95.4	Very high	38 Å²	38	37.9 Å²	37.9	23%	0.233	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.1	176.4	-55.6	0	0	0	0	108	Q349 T501 V502 T530	Q349-T528 PolarHBondContact N-O 3.34Å; Q349-T528 PolarHBondContact O-N 2.9Å; T501-T528 HydrophobicContact CG2-CG2 4.36Å; V502-T528 WeakPolarHBondContact O-CA 3.48Å; T528-T530 HydrophobicContact CG2-CG2 3.93Å
529	I	98.5	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.3	177.2	-48.1	179.5	0	0	0	107.2	W346 K347 V348 M365 F369 V441 L472 T501 V502 I527	W346-I529 HydrophobicContact CB-CG2 4.07Å; W346-I529 HydrophobicContact CE3-CG2 4.26Å; K347-I529 WeakPolarHBondContact O-CA 3.44Å; V348-I529 HydrophobicContact CG1-CG1 4.31Å; V348-I529 HydrophobicContact CG2-CD1 4.44Å; V348-I529 HydrophobicContact CG2-CG1 4.15Å; V348-I529 HydrophobicContact CG2-CG2 4.18Å; M365-I529 HydrophobicContact CE-CG2 4.01Å; M365-I529 HydrophobicContact SD-CG2 4.49Å; F369-I529 HydrophobicContact CB-CD1 3.9Å; F369-I529 HydrophobicContact CD1-CD1 3.86Å; F369-I529 HydrophobicContact CG-CD1 3.9Å; V441-I529 HydrophobicContact CB-CD1 4.1Å; V441-I529 HydrophobicContact CG1-CD1 3.94Å; V441-I529 HydrophobicContact CG2-CD1 4.15Å; L472-I529 HydrophobicContact CD1-CB 4.21Å; L472-I529 HydrophobicContact CD1-CG2 3.56Å; T501-I529 WeakPolarHBondContact CA-O 3.37Å; V502-I529 HydrophobicContact CB-CB 4.27Å; V502-I529 PolarHBondContact N-O 3.4Å; V502-I529 PolarHBondContact O-N 3.43Å; I527-I529 HydrophobicContact CG2-CG1 4.17Å
530	T	98.1	Very high	95.5	Very high	40 Å²	40	36.6 Å²	36.6	25%	0.245	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153	-174.7	43.9	0	0	0	0	109.8	K347 T501 T528 K532	K347-T530 PolarHBondContact N-O 3.49Å; K347-T530 PolarHBondContact O-N 2.87Å; T501-T530 HydrophobicContact CG2-CG2 3.79Å; T528-T530 HydrophobicContact CG2-CG2 3.93Å; T530-K532 PolarHBondContact O-N 3.03Å
531	H	97.8	Very high	94.6	Very high	86 Å²	86	39 Å²	39	40%	0.398	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	132.1	175.6	177.8	-89.9	0	0	0	110.4	D344 W346	D344-H531 IonicContact OD1-CD2 3.45Å; D344-H531 IonicContact OD1-NE2 3.65Å; W346-H531 HydrophobicContact CE3-CB 4.29Å; W346-H531 VanDerWaalsContact CE3-N 3.3Å; W346-H531 HydrophobicContact CH2-CB 4.37Å; W346-H531 HydrophobicContact CZ3-CB 4.01Å
532	K	95.6	Very high	93	Very high	76 Å²	76	39 Å²	39	33%	0.33	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-57.7	-179.4	-171.5	-171.7	-177.5	-165.3	0	110.7	D284 D287 R345 K347 S364 T530	D284-K532 IonicContact OD1-NZ 3.58Å; D287-K532 WeakPolarHBondContact OD2-CE 3.31Å; D287-K532 IonicContact OD2-NZ 2.8Å; D287-K532 PolarHBondContact OD2-NZ 3.42Å; R345-K532 WeakPolarHBondContact O-CA 3.15Å; R345-K532 WeakPolarHBondContact O-CB 3.21Å; R345-K532 PolarHBondContact O-N 2.94Å; K347-K532 HydrophobicContact CB-CB 3.97Å; K347-K532 HydrophobicContact CB-CG 4.2Å; S364-K532 PolarHBondContact OG-NZ 2.94Å; T530-K532 PolarHBondContact O-N 3.03Å
533	T	94.8	Very high	90.5	Very high	31 Å²	31	46.5 Å²	46.5	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	169	-174.2	-167.5	0	0	0	0	109.8	D287 K290 R345	D287-T533 WeakPolarHBondContact OD1-CG2 3.21Å; K290-T533 PolarHBondContact NZ-OG1 3.11Å; R345-T533 WeakPolarHBondContact CA-O 3.26Å; R345-T533 HydrophobicContact CB-CG2 4.05Å; R345-T533 WeakPolarHBondContact CB-O 3.16Å; R345-T533 HydrophobicContact CG-CG2 4.46Å; R345-T533 PolarHBondContact N-O 2.73Å; R345-T533 PolarHBondContact O-N 3.43Å
534	Q	94.3	Very high	88	Confident	69 Å²	69	50.7 Å²	50.7	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.2	168.8	-75.6	-175.2	-28.2	0	0	111	K290 M343 D344	K290-Q534 PolarHBondContact NZ-O 2.94Å; M343-Q534 CarbonylContact O-C 3.58Å; M343-Q534 VanDerWaalsContact O-CA 3.31Å; M343-Q534 WeakPolarHBondContact O-CA 3.15Å; D344-Q534 WeakPolarHBondContact OD1-CG 3.32Å; D344-Q534 PolarHBondContact OD1-NE2 3.38Å
535	T	94.8	Very high	84.9	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	155.7	172	-167.7	0	0	0	0	110.7	L283 K342 M343 R345 M537	L283-T535 HydrophobicContact CD2-CG2 3.95Å; K342-T535 CarbonylContact C-O 3.25Å; K342-T535 WeakPolarHBondContact CA-O 3.18Å; M343-T535 HydrophobicContact CB-CG2 4.01Å; M343-T535 HydrophobicContact CE-CG2 3.69Å; M343-T535 PolarHBondContact N-O 2.89Å; M343-T535 PolarHBondContact O-N 3.45Å; R345-T535 HydrophobicContact CG-CG2 4.2Å; T535-M537 HydrophobicContact CG2-CG 4.04Å; T535-M537 HydrophobicContact CG2-SD 3.67Å
536	F	95.9	Very high	82	Confident	89 Å²	89	60.2 Å²	60.2	39%	0.39	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.2	174.4	-63.8	-71	0	0	0	109.4	R300 V301 V340 V341 K342	R300-F536 WeakPolarHBondContact CA-O 3.26Å; R300-F536 HydrophobicContact CG-CB 4.19Å; V301-F536 PolarHBondContact N-O 3.31Å; V340-F536 HydrophobicContact CG1-CB 4.06Å; V340-F536 HydrophobicContact CG1-CD1 3.92Å; V340-F536 HydrophobicContact CG1-CG 4.36Å; V341-F536 WeakPolarHBondContact O-CA 3.23Å; K342-F536 HydrophobicContact CD-CE1 4.46Å; K342-F536 HydrophobicContact CG-CD1 4.06Å; K342-F536 HydrophobicContact CG-CE1 3.89Å
537	M	97.3	Very high	78.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	156.9	175.3	-55	-59.8	-70.6	0	0	109.5	V279 L283 V301 I303 L312 L316 V340 V341 M343 T535	V279-M537 HydrophobicContact CG1-CE 4.46Å; L283-M537 HydrophobicContact CD2-SD 4.09Å; V301-M537 HydrophobicContact CB-CE 4.08Å; V301-M537 HydrophobicContact CB-SD 3.79Å; V301-M537 HydrophobicContact CG1-CE 3.97Å; V301-M537 HydrophobicContact CG1-SD 4.27Å; V301-M537 CarbonylContact O-C 3.52Å; V301-M537 WeakPolarHBondContact O-CA 3.32Å; I303-M537 HydrophobicContact CD1-CE 4.09Å; I303-M537 HydrophobicContact CG1-CE 4.38Å; L312-M537 HydrophobicContact CD2-CE 4.37Å; L316-M537 HydrophobicContact CD1-CB 3.91Å; L316-M537 HydrophobicContact CD1-CE 3.49Å; L316-M537 VanDerWaalsContact CD1-CE 3.49Å; L316-M537 HydrophobicContact CD1-CG 4.15Å; L316-M537 HydrophobicContact CD2-CB 3.81Å; L316-M537 HydrophobicContact CD2-CG 4.44Å; V340-M537 WeakPolarHBondContact CA-O 3.33Å; V341-M537 HydrophobicContact CG2-CB 4.03Å; V341-M537 PolarHBondContact N-O 2.93Å; V341-M537 PolarHBondContact O-N 3.29Å; M343-M537 HydrophobicContact CB-CG 3.69Å; M343-M537 HydrophobicContact CE-CG 4.22Å; M343-M537 HydrophobicContact CE-SD 4.07Å; M343-M537 HydrophobicContact SD-CG 4.19Å; T535-M537 HydrophobicContact CG2-CG 4.04Å; T535-M537 HydrophobicContact CG2-SD 3.67Å
538	L	97	Very high	76.1	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.5	167	-54.7	-175.1	0	0	0	109.4	Q269 R300 V301 T302 W318 V335 A338 E339 V340	Q269-L538 HydrophobicContact CG-CD1 4.19Å; R300-L538 HydrophobicContact CB-CD2 3.84Å; R300-L538 HydrophobicContact CB-CG 4.32Å; V301-L538 PolarHBondContact O-N 3.39Å; T302-L538 HydrophobicContact CG2-CD1 3.94Å; W318-L538 HydrophobicContact CZ2-CB 4.11Å; W318-L538 PolarHBondContact NE1-O 3.25Å; V335-L538 HydrophobicContact CG1-CD1 4.13Å; A338-L538 HydrophobicContact CB-CB 3.87Å; A338-L538 HydrophobicContact CB-CD1 4.36Å; E339-L538 CarbonylContact O-C 3.48Å; E339-L538 VanDerWaalsContact O-CA 3.25Å; E339-L538 WeakPolarHBondContact O-CA 3.27Å; V340-L538 HydrophobicContact CG2-CD2 3.86Å
539	Y	95.1	Very high	73.1	Confident	86 Å²	86	77.5 Å²	77.5	34%	0.337	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.3	174.3	177.5	-98.9	0	0	0	109.1	L316 A338 E339 V341	L316-Y539 VanDerWaalsContact C-CD2 3.46Å; L316-Y539 WeakPolarHBondContact O-CA 3.38Å; L316-Y539 VanDerWaalsContact O-CD2 3.24Å; L316-Y539 WeakPolarHBondContact O-CD2 3.39Å; A338-Y539 CarbonylContact C-O 3.28Å; A338-Y539 WeakPolarHBondContact CA-O 3.21Å; A338-Y539 WeakPolarHBondContact CB-O 3.4Å; E339-Y539 PolarHBondContact N-O 3.27Å; E339-Y539 PolarHBondContact O-N 3.02Å; V341-Y539 HydrophobicContact CG1-CG 4.4Å
540	H	92.3	Very high	69.9	Low	25 Å²	25	85.5 Å²	85.5	12%	0.116	44%	0.444	C	S	.	.			trans	-127.6	112.9	176.3	179.2	-86.1	0	0	0	109.3	L316 G317 W318 N334 A338 T542	L316-H540 PolarHBondContact O-N 2.91Å; G317-H540 CarbonylContact C-O 3.39Å; G317-H540 VanDerWaalsContact C-O 3.28Å; G317-H540 WeakPolarHBondContact CA-O 3.36Å; W318-H540 HydrophobicContact CD2-CB 4.15Å; W318-H540 HydrophobicContact CE3-CB 4.33Å; W318-H540 HydrophobicContact CH2-CB 3.86Å; W318-H540 HydrophobicContact CZ2-CB 3.64Å; W318-H540 HydrophobicContact CZ3-CB 4.21Å; N334-H540 PolarHBondContact O-CD2 3.12Å; N334-H540 VanDerWaalsContact O-CD2 3.3Å; A338-H540 HydrophobicContact CB-CB 4.4Å; H540-T542 WeakPolarHBondContact ND1-CG2 3.46Å; H540-T542 PolarHBondContact O-N 3.39Å
541	S	75.3	Confident	66.9	Low	84 Å²	84	93.1 Å²	93.1	59%	0.587	48%	0.477	S	S	*	.			trans	-74.6	90	174.3	60.3	0	0	0	0	109.4	E543	S541-E543 PolarHBondContact O-N 3.3Å
542	T	58.9	Low	63.8	Low	63 Å²	63	94 Å²	94	39%	0.387	49%	0.493	S	S	.	.			trans	-69.4	114.6	153.7	50.1	0	0	0	0	106.4	G317 H540 Q544	G317-T542 PolarHBondContact O-OG1 3.01Å; H540-T542 WeakPolarHBondContact ND1-CG2 3.46Å; H540-T542 PolarHBondContact O-N 3.39Å; T542-Q544 VanDerWaalsContact C-N 3.31Å; T542-Q544 PolarHBondContact O-N 2.59Å
543	E	41.8	Very low	60.6	Low	179 Å²	179	95.5 Å²	95.5	84%	0.836	51%	0.513	S	S	*	.			trans	-52.2	106.5	157.4	-75.4	-178.8	164.4	0	0	105.9	S541 T545	S541-E543 PolarHBondContact O-N 3.3Å; E543-T545 PolarHBondContact O-N 3.34Å
544	Q	40.3	Very low	57.5	Low	109 Å²	109	99.6 Å²	99.6	51%	0.509	55%	0.549	S	S	.	.			trans	-69.5	90.8	167.4	-74.2	178.2	-35.6	0	0	104.6	T542 D546	T542-Q544 VanDerWaalsContact C-N 3.31Å; T542-Q544 PolarHBondContact O-N 2.59Å; Q544-D546 PolarHBondContact O-N 3.46Å
545	T	29.4	Very low	54.5	Low	104 Å²	104	101.4 Å²	101.4	64%	0.638	57%	0.57	S	S	*	*			trans	-63.4	96	155.7	47	0	0	0	0	104.9	E543 D547	E543-T545 PolarHBondContact O-N 3.34Å; T545-D547 PolarHBondContact O-N 3.43Å
546	D	32.4	Very low	51.4	Low	143 Å²	143	110.1 Å²	110.1	77%	0.765	61%	0.61	S	S	*	*			trans	-65.4	66	164	-69.2	-30.9	0	0	0	107.7	Q544	Q544-D546 PolarHBondContact O-N 3.46Å
547	D	32.7	Very low	48.3	Very low	132 Å²	132	112 Å²	112	71%	0.706	63%	0.632	S	S	*	*			trans	-99.4	70	170	-76.7	-28.1	0	0	0	107.3	T545	T545-D547 PolarHBondContact O-N 3.43Å
548	D	37.1	Very low	45.1	Very low	154 Å²	154	121.4 Å²	121.4	82%	0.824	68%	0.676	S	S	*	*	S	Bend	trans	-166	76.5	160.8	-88.5	-32.5	0	0	0	106.6
549	D	36.5	Very low	41.8	Very low	157 Å²	157	126.7 Å²	126.7	84%	0.84	71%	0.713	S	S	*	*	S	Bend	trans	167.3	74.9	148.4	-83.2	-25.8	0	0	0	109.8
550	D	31	Very low	38.8	Very low	167 Å²	167	128.9 Å²	128.9	89%	0.893	74%	0.737	S	S	*	*			trans	-159.8	51.2	155.7	-100.9	-23.7	0	0	0	111.8
551	E	34.1	Very low	35.9	Very low	201 Å²	201	132.3 Å²	132.3	94%	0.939	77%	0.77	S	S	*	*			trans	-94.3	79.2	153.5	-100.8	-165.1	161.5	0	0	108.9
552	S	32.7	Very low	34.6	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	78%	0.775	S	S	*	*			trans	178.4	88.8	144.5	47	0	0	0	0	113
553	S	29.8	Very low	33.3	Very low	108 Å²	108	138 Å²	138	76%	0.755	79%	0.792	S	S	*	*			trans	-175	87.7	132.5	43.2	0	0	0	0	110.1	S555	S553-S555 PolarHBondContact O-N 3.48Å
554	A	30	Very low	32.7	Very low	116 Å²	116	136.3 Å²	136.3	96%	0.959	79%	0.788	S	S	*	*			trans	-61.6	104.1	154.8	0	0	0	0	0	107.6
555	S	30.5	Very low	32.4	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	80%	0.8	S	S	*	*			trans	-106.8	128.6	160.8	49.8	0	0	0	0	108	S553	S553-S555 PolarHBondContact O-N 3.48Å
556	E	30.3	Very low	32.9	Very low	184 Å²	184	137.2 Å²	137.2	86%	0.86	81%	0.808	S	S	*	*			trans	-61.4	149.8	-172.5	-59.2	-179.6	140.9	0	0	112.2	E558	E556-E558 PolarHBondContact O-N 3.39Å
557	P	29	Very low	32.8	Very low	129 Å²	129	141.6 Å²	141.6	84%	0.838	81%	0.814	S	S	*	*			trans	-79.4	111.9	173.3	31.2	-28.8	0	0	0	109.6
558	E	30.3	Very low	33.1	Very low	198 Å²	198	140.6 Å²	140.6	93%	0.925	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-62.8	136.9	166.2	-84.4	-170.3	143.5	0	0	110.8	E556	E556-E558 PolarHBondContact O-N 3.39Å
559	S	29.2	Very low	33.7	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-78.8	150.2	-178.3	46.2	0	0	0	0	112
560	P	31.8	Very low	33.5	Very low	131 Å²	131	140.1 Å²	140.1	85%	0.851	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-92.5	135.6	176.7	34.6	-28.7	0	0	0	110.9
561	A	30.5	Very low	33.5	Very low	98 Å²	98	138.5 Å²	138.5	81%	0.81	79%	0.792	S	S	*	*			trans	-127	151.8	164.6	0	0	0	0	0	110.7
562	P	49.2	Very low	33.4	Very low	106 Å²	106	134 Å²	134	69%	0.688	78%	0.779	S	S	*	*			trans	-100.4	170.4	-150.2	35.5	-24.8	0	0	0	112.4
563	H	31.1	Very low	33.3	Very low	160 Å²	160	134 Å²	134	74%	0.741	77%	0.774	S	S	*	*				175.2	125	128.6	-94.1	-71.6	0	0	0	113.1
564	D	29.8	Very low	33.5	Very low	143 Å²	143	134.9 Å²	134.9	77%	0.765	78%	0.775	S	S	*	*			trans	58.2	116.5	136.4	-63	-31.3	0	0	0	123.4
565	S	33.7	Very low	33.8	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	77%	0.769	S	S	*	*			trans	-81.8	165.5	152	-39.2	0	0	0	0	110.1
566	P	38.4	Very low	34.2	Very low	124 Å²	124	141.1 Å²	141.1	81%	0.805	80%	0.802	S	S	*	*				-149.2	139.2	74.7	33.5	-12.1	0	0	0	117.2
567	R	31.8	Very low	34.4	Very low	236 Å²	236	139 Å²	139	89%	0.891	80%	0.799	S	S	*	*				16.2	165.3	128.2	-89.7	-173.1	-160.9	-154.8	6	121.2
568	P	39	Very low	34.7	Very low	111 Å²	111	139.5 Å²	139.5	72%	0.721	80%	0.797	S	S	*	*			cis	-146.8	-138.5	1.8	30.5	-0.8	0	0	0	114.7
569	P	48.5	Very low	34.9	Very low	90 Å²	90	136.2 Å²	136.2	58%	0.584	79%	0.79	S	S	*	*				-111.3	178.2	-102.1	35.2	-13.6	0	0	0	113.1
570	W	32.7	Very low	35.2	Very low	211 Å²	211	137.7 Å²	137.7	80%	0.799	79%	0.791	S	S	*	*				171.4	140.8	96.4	-79.3	101.1	0	0	0	110.8
571	L	32.1	Very low	35.5	Very low	133 Å²	133	138.1 Å²	138.1	70%	0.696	79%	0.787	S	S	*	*			trans	60.8	143.4	135.4	-61.6	165.8	0	0	0	119.7
572	T	30.8	Very low	35.8	Very low	107 Å²	107	140.8 Å²	140.8	66%	0.656	79%	0.786	S	S	*	*			cis	-175.9	149.2	1.3	11.2	0	0	0	0	108.7
573	T	31.3	Very low	34.8	Very low	104 Å²	104	143.3 Å²	143.3	64%	0.638	79%	0.793	S	S	*	*			trans	52.8	137.4	132.5	-25	0	0	0	0	118.7
574	V	33.5	Very low	35.1	Very low	126 Å²	126	142 Å²	142	76%	0.764	80%	0.797	S	S	*	*				-167	117.8	60.1	174.7	0	0	0	0	107.2
575	Q	35.7	Very low	35.6	Very low	177 Å²	177	141.9 Å²	141.9	83%	0.827	80%	0.799	S	S	*	*				57.8	112.4	85.8	-99.7	-174.6	-17.9	0	0	117.7
576	A	39.5	Very low	35.7	Very low	176 Å²	176	145 Å²	145	100%	1.455	80%	0.803	S	S	*	*				-138.1	0	122.7	0	0	0	0	0	107.5

Retrieved 576 of 576 residues in 2236.1 ms (Link to these results)

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