A0A3Q0KNQ0_SCHMA Loading...

Putative trithorax protein ash2 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 729 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	35.3	Very low	235 Å²	235	143 Å²	143	100%	1.158	80%	0.804	S	S	*	*				0	140.1	0	-74.2	164.1	166.6	0	0	107.3
2	T	35.1	Very low	35.1	Very low	119 Å²	119	142.5 Å²	142.5	73%	0.73	81%	0.814	S	S	*	*			trans	14.3	123.5	154.2	52.9	0	0	0	0	120.2
3	N	32.6	Very low	35.1	Very low	134 Å²	134	146.9 Å²	146.9	72%	0.717	82%	0.818	S	S	*	*				67.6	157.9	128.4	-65.1	49.9	0	0	0	118.6
4	D	36.5	Very low	35.4	Very low	130 Å²	130	143.9 Å²	143.9	70%	0.695	81%	0.809	S	S	*	*			cis	-149.4	176.8	-3.2	-124.6	-31.7	0	0	0	113
5	S	33.2	Very low	35.2	Very low	101 Å²	101	146.7 Å²	146.7	71%	0.706	81%	0.813	S	S	*	*			trans	-25	139.4	173.4	61	0	0	0	0	119.7
6	V	39.4	Very low	34.8	Very low	141 Å²	141	146.4 Å²	146.4	86%	0.855	82%	0.816	S	S	*	*			trans	-128.5	138.8	151.7	176.9	0	0	0	0	108.9
7	I	33.7	Very low	34.6	Very low	162 Å²	162	147.4 Å²	147.4	83%	0.831	82%	0.818	S	S	*	*			trans	-99.2	136.5	173.1	-61.6	167.7	0	0	0	107.7
8	D	35.7	Very low	34.3	Very low	159 Å²	159	144.3 Å²	144.3	85%	0.85	80%	0.799	S	S	*	*			trans	-129.7	159.3	173.8	-163.6	13.7	0	0	0	111.8
9	A	33.1	Very low	34.1	Very low	77 Å²	77	144.6 Å²	144.6	64%	0.636	80%	0.8	S	S	*	*			trans	-150.5	162.6	-170.7	0	0	0	0	0	113.7
10	S	38.7	Very low	34.1	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	79%	0.787	S	S	*	*			trans	89.8	99.9	165.6	80.4	0	0	0	0	119.3
11	K	34.5	Very low	34	Very low	203 Å²	203	142.7 Å²	142.7	88%	0.883	79%	0.785	S	S	*	*				47.3	109	128.4	-63.2	176	178.2	174.7	0	119.2
12	C	32.3	Very low	33.8	Very low	137 Å²	137	140.1 Å²	140.1	93%	0.926	77%	0.767	S	S	*	*				-136.2	164	120.8	-99.9	0	0	0	0	111.2
13	K	35.7	Very low	33.6	Very low	200 Å²	200	140.5 Å²	140.5	87%	0.87	76%	0.762	S	S	*	*			trans	-151.8	164.8	-177	-103	-162.8	176.2	-169.6	0	107.5
14	P	38.5	Very low	33.7	Very low	105 Å²	105	138.2 Å²	138.2	68%	0.682	75%	0.75	S	S	*	*			cis	-134.9	153.1	-31.2	36.6	-21.4	0	0	0	112.6
15	E	32.6	Very low	33.6	Very low	186 Å²	186	136 Å²	136	87%	0.869	74%	0.744	S	S	*	*			trans	-132.5	159.2	158.4	-73.1	-159.3	136.5	0	0	111.1
16	V	30	Very low	34.2	Very low	142 Å²	142	137.2 Å²	137.2	86%	0.861	74%	0.743	S	S	*	*			trans	-110.4	74.3	-162.9	-173.8	0	0	0	0	111.1
17	L	30	Very low	34.5	Very low	162 Å²	162	133.5 Å²	133.5	85%	0.848	72%	0.716	S	S	*	*			trans	-144.8	144.4	158.1	-66.8	97.5	0	0	0	106.2
18	D	30.3	Very low	35.3	Very low	92 Å²	92	130.7 Å²	130.7	49%	0.492	70%	0.703	S	S	.	*			cis	-137.5	152.1	-2.1	176.5	26.7	0	0	0	108.9	T20	D18-T20 WeakPolarHBondContact OD1-CB 3.45Å; D18-T20 PolarHBondContact OD1-N 3.44Å; D18-T20 PolarHBondContact OD1-OG1 3.38Å; D18-T20 WeakPolarHBondContact OD2-CB 3.44Å; D18-T20 PolarHBondContact OD2-N 3.29Å; D18-T20 PolarHBondContact OD2-OG1 3.41Å
19	N	29.9	Very low	36.2	Very low	150 Å²	150	127.2 Å²	127.2	80%	0.802	69%	0.687	S	S	*	*	S	Bend	trans	-109.7	-2	174	-91.9	-22	0	0	0	113
20	T	34.2	Very low	37.4	Very low	89 Å²	89	128.6 Å²	128.6	55%	0.546	68%	0.681	S	S	.	*	S	Bend	trans	-77.3	-48.5	-173.7	-40.4	0	0	0	0	111.8	D18 K22 M23	D18-T20 WeakPolarHBondContact OD1-CB 3.45Å; D18-T20 PolarHBondContact OD1-N 3.44Å; D18-T20 PolarHBondContact OD1-OG1 3.38Å; D18-T20 WeakPolarHBondContact OD2-CB 3.44Å; D18-T20 PolarHBondContact OD2-N 3.29Å; D18-T20 PolarHBondContact OD2-OG1 3.41Å; T20-K22 PolarHBondContact O-N 3.09Å; T20-M23 PolarHBondContact O-N 3.3Å
21	E	32.1	Very low	38.7	Very low	160 Å²	160	124.9 Å²	124.9	75%	0.748	65%	0.652	S	S	*	*	H	α-helix	trans	-56.3	-24.3	-176.1	-65.6	-172.5	143.4	0	0	115
22	K	32.1	Very low	40.2	Very low	181 Å²	181	119 Å²	119	79%	0.787	64%	0.637	S	S	*	*	H	α-helix	trans	-82.2	-18.7	177.9	-80.8	-168.8	173.8	-176.8	0	114.7	T20	T20-K22 PolarHBondContact O-N 3.09Å
23	M	31.3	Very low	42	Very low	127 Å²	127	115.4 Å²	115.4	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-81.6	-33.6	174.5	-80	-178.2	56.4	0	0	112.5	T20 C25 Q27	T20-M23 PolarHBondContact O-N 3.3Å; M23-C25 PolarHBondContact O-N 3.34Å; M23-Q27 WeakPolarHBondContact O-CG 3.05Å; M23-Q27 PolarHBondContact O-N 2.69Å
24	D	33.4	Very low	44.1	Very low	86 Å²	86	110.3 Å²	110.3	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-65.4	-26.3	178.6	-82.5	-33.8	0	0	0	113.4	N28	D24-N28 WeakPolarHBondContact O-CB 3.38Å; D24-N28 PolarHBondContact O-N 3.41Å; D24-N28 VanDerWaalsContact O-N 3.08Å; D24-N28 PolarHBondContact O-ND2 2.87Å
25	C	34.1	Very low	46.1	Very low	84 Å²	84	107 Å²	107	57%	0.568	57%	0.574	S	S	*	*	H	α-helix	trans	-66.8	-46.7	-179.1	-165.6	0	0	0	0	112.3	M23 T29	M23-C25 PolarHBondContact O-N 3.34Å; C25-T29 PolarHBondContact O-N 3.09Å; C25-T29 PolarHBondContact O-OG1 3.01Å
26	D	47	Very low	48.3	Very low	126 Å²	126	105.7 Å²	105.7	67%	0.674	57%	0.572	S	S	*	*	H	α-helix	trans	-68.4	-38.1	177.1	-83.2	-28	0	0	0	111.8	T29 Q30	D26-T29 WeakPolarHBondContact O-CB 3.42Å; D26-T29 PolarHBondContact O-N 3.21Å; D26-Q30 PolarHBondContact O-N 3.49Å
27	Q	46.1	Very low	50.5	Low	64 Å²	64	100.7 Å²	100.7	30%	0.299	54%	0.54	S	S	.	.	H	α-helix	trans	-65.1	-45.5	179.1	-67.5	-174.6	29.8	0	0	112.1	M23 T29 Q30 L31	M23-Q27 WeakPolarHBondContact O-CG 3.05Å; M23-Q27 PolarHBondContact O-N 2.69Å; Q27-T29 VanDerWaalsContact C-N 3.26Å; Q27-T29 PolarHBondContact O-N 3.43Å; Q27-Q30 PolarHBondContact O-N 2.78Å; Q27-Q30 VanDerWaalsContact O-N 3.12Å; Q27-L31 WeakPolarHBondContact O-CG 3.44Å; Q27-L31 PolarHBondContact O-N 2.87Å
28	N	50.5	Low	52.5	Low	102 Å²	102	95.8 Å²	95.8	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-32.2	174.7	-79.8	-71.6	0	0	0	112.7	D24 S32	D24-N28 WeakPolarHBondContact O-CB 3.38Å; D24-N28 PolarHBondContact O-N 3.41Å; D24-N28 VanDerWaalsContact O-N 3.08Å; D24-N28 PolarHBondContact O-ND2 2.87Å; N28-S32 PolarHBondContact O-N 3.25Å; N28-S32 PolarHBondContact O-OG 2.91Å
29	T	54	Low	54.4	Low	87 Å²	87	97.6 Å²	97.6	53%	0.534	53%	0.533	S	S	.	.	H	α-helix	trans	-68.9	-34.6	173.9	-55.7	0	0	0	0	111.7	C25 D26 Q27 S32	C25-T29 PolarHBondContact O-N 3.09Å; C25-T29 PolarHBondContact O-OG1 3.01Å; D26-T29 WeakPolarHBondContact O-CB 3.42Å; D26-T29 PolarHBondContact O-N 3.21Å; Q27-T29 VanDerWaalsContact C-N 3.26Å; Q27-T29 PolarHBondContact O-N 3.43Å; T29-S32 PolarHBondContact O-OG 3.32Å
30	Q	57.8	Low	56.3	Low	105 Å²	105	91.2 Å²	91.2	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-73.9	-33.9	175.8	-169.3	171.4	63.6	0	0	113.1	D26 Q27 V33 Y128	D26-Q30 PolarHBondContact O-N 3.49Å; Q27-Q30 PolarHBondContact O-N 2.78Å; Q27-Q30 VanDerWaalsContact O-N 3.12Å; Q30-V33 WeakPolarHBondContact O-CG2 3.46Å; Q30-Y128 HydrophobicContact CG-CE2 4.42Å; Q30-Y128 WeakPolarHBondContact O-CE2 3.3Å
31	L	65.9	Low	57.9	Low	34 Å²	34	91.5 Å²	91.5	18%	0.178	50%	0.503	C	S	.	.	H	α-helix	trans	-73.4	-25.4	-179.7	-69.8	166	0	0	0	113.7	Q27 V33 Y128 V174 T176 C181	Q27-L31 WeakPolarHBondContact O-CG 3.44Å; Q27-L31 PolarHBondContact O-N 2.87Å; L31-V33 VanDerWaalsContact C-N 3.32Å; L31-V33 PolarHBondContact O-N 3.06Å; L31-Y128 HydrophobicContact CD2-CD1 4.26Å; L31-Y128 HydrophobicContact CD2-CD2 4.35Å; L31-Y128 HydrophobicContact CD2-CG 3.97Å; L31-V174 HydrophobicContact CD2-CB 4.44Å; L31-V174 HydrophobicContact CD2-CG1 4.33Å; L31-T176 HydrophobicContact CD1-CG2 3.71Å; L31-T176 HydrophobicContact CD2-CG2 4.35Å; L31-C181 HydrophobicContact CD2-CB 3.63Å
32	S	66.1	Low	59.6	Low	81 Å²	81	85.9 Å²	85.9	57%	0.566	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	5.8	-176.7	46.2	0	0	0	0	114.7	N28 T29 V34	N28-S32 PolarHBondContact O-N 3.25Å; N28-S32 PolarHBondContact O-OG 2.91Å; T29-S32 PolarHBondContact O-OG 3.32Å; S32-V34 PolarHBondContact O-N 3.2Å
33	V	71.1	Confident	61.7	Low	61 Å²	61	81 Å²	81	37%	0.37	48%	0.475	S	S	.	.			trans	-66.9	126.8	-178.5	178.6	0	0	0	0	112.3	Q30 L31 L127	Q30-V33 WeakPolarHBondContact O-CG2 3.46Å; L31-V33 VanDerWaalsContact C-N 3.32Å; L31-V33 PolarHBondContact O-N 3.06Å; V33-L127 HydrophobicContact CB-CD1 4.14Å; V33-L127 HydrophobicContact CG1-CD1 3.61Å; V33-L127 HydrophobicContact CG1-CG 4.16Å; V33-L127 PolarHBondContact O-N 2.82Å
34	V	79.1	Confident	64	Low	92 Å²	92	76.4 Å²	76.4	56%	0.558	45%	0.452	S	S	*	.	B	Isolated β-bridge	trans	-115.2	132.9	172.8	178.2	0	0	0	0	108.8	S32 G124 G125 R126	S32-V34 PolarHBondContact O-N 3.2Å; V34-G124 WeakPolarHBondContact CG1-O 3.19Å; V34-G125 WeakPolarHBondContact CA-O 3.32Å; V34-R126 HydrophobicContact CG2-CB 4.46Å
35	V	79.7	Confident	66.7	Low	37 Å²	37	72.6 Å²	72.6	22%	0.224	43%	0.432	C	S	.	.			trans	-104.5	141.3	173.5	-64.5	0	0	0	0	111.5	I37 M120 G125 L127	V35-I37 PolarHBondContact O-N 3.18Å; V35-M120 HydrophobicContact CG2-SD 4.19Å; V35-G125 PolarHBondContact N-O 2.88Å; V35-G125 WeakPolarHBondContact O-CA 3.34Å; V35-L127 HydrophobicContact CB-CD2 4.32Å; V35-L127 HydrophobicContact CG1-CD1 4.07Å; V35-L127 HydrophobicContact CG1-CD2 3.75Å; V35-L127 HydrophobicContact CG1-CG 4.09Å; V35-L127 HydrophobicContact CG2-CD2 3.64Å
36	N	79.2	Confident	69.4	Low	157 Å²	157	71.3 Å²	71.3	84%	0.84	42%	0.415	S	S	*	.			trans	-67.8	125	170	-171.3	7.1	0	0	0	109.5	P38	N36-P38 WeakPolarHBondContact O-CD 3.14Å
37	I	76.9	Confident	71.5	Confident	38 Å²	38	68 Å²	68	20%	0.195	40%	0.402	C	S	.	.			trans	-80.8	114.4	-179.6	-64.9	175.2	0	0	0	108.4	V35 F53 L121 L189	V35-I37 PolarHBondContact O-N 3.18Å; I37-F53 HydrophobicContact CG2-CD2 3.69Å; I37-F53 HydrophobicContact CG2-CE2 3.7Å; I37-L121 HydrophobicContact CD1-CD1 3.93Å; I37-L189 HydrophobicContact CD1-CD1 3.94Å; I37-L189 HydrophobicContact CG1-CD1 4.1Å; I37-L189 HydrophobicContact CG2-CD1 3.93Å
38	P	72.6	Confident	73.4	Confident	58 Å²	58	70.7 Å²	70.7	38%	0.377	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-70.8	137.4	-171.6	28.7	-36.1	0	0	0	112.3	N36 P40 T190	N36-P38 WeakPolarHBondContact O-CD 3.14Å; P38-P40 WeakPolarHBondContact O-CD 3.48Å; P38-T190 HydrophobicContact CG-CG2 3.87Å
39	T	69.3	Low	75	Confident	130 Å²	130	68.1 Å²	68.1	80%	0.798	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-60.5	124.5	173.6	-43.7	0	0	0	0	110.5
40	P	70.8	Confident	76.5	Confident	17 Å²	17	67.1 Å²	67.1	11%	0.11	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-67.6	141.7	-174.9	-27.8	39.2	0	0	0	114.3	P38 G42 R51 F53	P38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-G42 PolarHBondContact O-N 2.87Å; P40-R51 HydrophobicContact CB-CB 3.68Å; P40-R51 WeakPolarHBondContact CB-O 3.22Å; P40-R51 HydrophobicContact CG-CB 4.2Å; P40-R51 VanDerWaalsContact CG-O 3.25Å; P40-R51 WeakPolarHBondContact CG-O 3.3Å; P40-F53 HydrophobicContact CG-CD2 4.19Å; P40-F53 HydrophobicContact CG-CE1 4.13Å; P40-F53 HydrophobicContact CG-CE2 3.71Å; P40-F53 HydrophobicContact CG-CZ 3.69Å
41	P	66.4	Low	77.9	Confident	94 Å²	94	62.4 Å²	62.4	61%	0.61	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-81.5	119.8	-168.4	30	-35.3	0	0	0	114.2	Q44	P41-Q44 PolarHBondContact O-NE2 3.46Å
42	G	68.3	Low	78.9	Confident	43 Å²	43	63 Å²	63	44%	0.443	38%	0.382	S	S	.	.	S	Bend	trans	69.8	177.2	159.4	0	0	0	0	0	117.1	P40 Q44 P50	P40-G42 PolarHBondContact O-N 2.87Å; G42-Q44 WeakPolarHBondContact O-CG 3.18Å; G42-Q44 PolarHBondContact O-N 3.42Å; G42-P50 VanDerWaalsContact O-CA 3.25Å; G42-P50 WeakPolarHBondContact O-CA 3.49Å
43	P	76.6	Confident	79.9	Confident	78 Å²	78	59.8 Å²	59.8	51%	0.506	36%	0.357	S	S	.	.			trans	-72.9	111.8	-177.6	29.4	-36.2	0	0	0	112.2	M48 K65	P43-M48 HydrophobicContact CB-CB 4.39Å; P43-M48 WeakPolarHBondContact CB-O 3.26Å; P43-K65 PolarHBondContact O-NZ 2.96Å
44	Q	79.9	Confident	80.7	Confident	31 Å²	31	61.1 Å²	61.1	15%	0.145	37%	0.369	C	S	.	.			trans	-112.4	-41.5	-176	-58.2	-169.8	23.7	0	0	113.3	P41 G42 S49 W66	P41-Q44 PolarHBondContact O-NE2 3.46Å; G42-Q44 WeakPolarHBondContact O-CG 3.18Å; G42-Q44 PolarHBondContact O-N 3.42Å; Q44-S49 PolarHBondContact N-O 2.84Å; Q44-W66 CarbonylContact C-O 3.53Å; Q44-W66 VanDerWaalsContact C-O 3.29Å
45	C	89.7	Confident	81.2	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.034	36%	0.358	C	S	.	.	S	Bend	trans	-83.1	172.1	-175.5	-167.6	0	0	0	0	112.8	C47 M48 W66 H68 C71	C45-C47 VanDerWaalsContact C-N 3.27Å; C45-C47 PolarHBondContact O-N 3.18Å; C45-M48 PolarHBondContact O-N 2.95Å; C45-W66 WeakPolarHBondContact CA-O 3.48Å; C45-W66 PolarHBondContact N-O 3.2Å; C45-H68 PolarHBondContact SG-N 3.25Å; C45-C71 WeakPolarHBondContact SG-CB 3.48Å
46	Y	91	Very high	81.7	Confident	58 Å²	58	59.8 Å²	59.8	23%	0.227	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.3	173.4	-60.7	-62.5	0	0	0	113.6	M48 F67 C71 I72 C90 K91 K92 E99	Y46-M48 PolarHBondContact O-N 3.13Å; Y46-F67 HydrophobicContact CD1-CD1 4.18Å; Y46-F67 AromaticContact CD1-CE1 3.77Å; Y46-F67 HydrophobicContact CD1-CE1 3.77Å; Y46-F67 AromaticContact CD2-CD1 3.58Å; Y46-F67 HydrophobicContact CD2-CD1 3.58Å; Y46-F67 HydrophobicContact CD2-CE1 4.04Å; Y46-F67 HydrophobicContact CE1-CD1 4.1Å; Y46-F67 AromaticContact CE1-CE1 3.58Å; Y46-F67 HydrophobicContact CE1-CE1 3.58Å; Y46-F67 AromaticContact CE2-CD1 3.51Å; Y46-F67 HydrophobicContact CE2-CD1 3.51Å; Y46-F67 AromaticContact CE2-CE1 3.89Å; Y46-F67 HydrophobicContact CE2-CE1 3.89Å; Y46-F67 HydrophobicContact CE2-CG 4.45Å; Y46-F67 AromaticContact CG-CD1 3.94Å; Y46-F67 HydrophobicContact CG-CD1 3.94Å; Y46-F67 HydrophobicContact CG-CE1 4Å; Y46-F67 AromaticContact CZ-CD1 3.79Å; Y46-F67 AromaticContact CZ-CE1 3.66Å; Y46-C71 HydrophobicContact CD2-CB 4.34Å; Y46-C71 VanDerWaalsContact CD2-O 3.23Å; Y46-C71 WeakPolarHBondContact CD2-O 3.28Å; Y46-I72 HydrophobicContact CE2-CG2 4.34Å; Y46-C90 WeakPolarHBondContact OH-CB 3.49Å; Y46-K91 HydrophobicContact CE1-CB 4.5Å; Y46-K91 WeakPolarHBondContact OH-CB 3.47Å; Y46-K91 PolarHBondContact OH-N 3.08Å; Y46-K92 HydrophobicContact CE1-CG 4.42Å; Y46-E99 VanDerWaalsContact CE2-OE1 3.25Å; Y46-E99 WeakPolarHBondContact CE2-OE1 3.29Å; Y46-E99 VanDerWaalsContact CZ-OE1 3.29Å; Y46-E99 PolarHBondContact OH-OE1 3.44Å
47	C	90.4	Very high	82.3	Confident	57 Å²	57	52.5 Å²	52.5	39%	0.385	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	4.8	177	63.8	0	0	0	0	113.8	C45 S49 C71	C45-C47 VanDerWaalsContact C-N 3.27Å; C45-C47 PolarHBondContact O-N 3.18Å; C47-S49 PolarHBondContact O-N 3.45Å; C47-S49 PolarHBondContact O-OG 3.04Å; C47-S49 PolarHBondContact SG-OG 3.38Å; C47-C71 VanDerWaalsContact SG-SG 3.66Å
48	M	85.5	Confident	83.1	Confident	120 Å²	120	50.7 Å²	50.7	59%	0.591	30%	0.304	S	S	*	.	S	Bend	trans	57.3	4.4	-174.9	-50.8	-56.1	175.7	0	0	115.7	P43 C45 Y46	P43-M48 HydrophobicContact CB-CB 4.39Å; P43-M48 WeakPolarHBondContact CB-O 3.26Å; C45-M48 PolarHBondContact O-N 2.95Å; Y46-M48 PolarHBondContact O-N 3.13Å
49	S	85.4	Confident	84	Confident	48 Å²	48	49.4 Å²	49.4	34%	0.336	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-71	154.6	170.1	-41.3	0	0	0	0	111.4	Q44 C47	Q44-S49 PolarHBondContact N-O 2.84Å; C47-S49 PolarHBondContact O-N 3.45Å; C47-S49 PolarHBondContact O-OG 3.04Å; C47-S49 PolarHBondContact SG-OG 3.38Å
50	P	85.4	Confident	85.1	Confident	65 Å²	65	43.2 Å²	43.2	42%	0.422	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-65.8	166.1	166	31.3	-36.3	0	0	0	111.5	G42 H68	G42-P50 VanDerWaalsContact O-CA 3.25Å; G42-P50 WeakPolarHBondContact O-CA 3.49Å; P50-H68 PolarHBondContact O-CE1 2.63Å; P50-H68 PolarHBondContact O-NE2 2.83Å; P50-H68 VanDerWaalsContact O-NE2 3.17Å
51	R	86.8	Confident	86	Confident	7 Å²	7	42.5 Å²	42.5	3%	0.026	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60.2	138.4	170.6	-172.1	-169.8	-177.8	-178.8	3.8	109.3	P40 D57 W66 T190	P40-R51 HydrophobicContact CB-CB 3.68Å; P40-R51 WeakPolarHBondContact CB-O 3.22Å; P40-R51 HydrophobicContact CG-CB 4.2Å; P40-R51 VanDerWaalsContact CG-O 3.25Å; P40-R51 WeakPolarHBondContact CG-O 3.3Å; R51-D57 WeakPolarHBondContact CD-OD2 3.39Å; R51-D57 WeakPolarHBondContact CG-OD2 3.25Å; R51-D57 IonicContact CZ-OD1 2.83Å; R51-D57 IonicContact CZ-OD2 2.7Å; R51-D57 IonicContact NE-OD1 2.94Å; R51-D57 PolarHBondContact NE-OD1 2.94Å; R51-D57 IonicContact NE-OD2 2.75Å; R51-D57 PolarHBondContact NE-OD2 3.21Å; R51-D57 IonicContact NH2-OD1 2.71Å; R51-D57 PolarHBondContact NH2-OD1 3.36Å; R51-D57 IonicContact NH2-OD2 3.2Å; R51-D57 PolarHBondContact NH2-OD2 2.91Å; R51-W66 HydrophobicContact CB-CB 4.5Å; R51-W66 HydrophobicContact CG-CB 4.18Å; R51-W66 HydrophobicContact CG-CG 4.39Å; R51-W66 VanDerWaalsContact NH1-CZ2 3.34Å; R51-T190 PolarHBondContact NH1-O 3.27Å
52	D	86.7	Confident	87	Confident	47 Å²	47	39.5 Å²	39.5	25%	0.251	23%	0.23	S	C	.	.			trans	-126.1	113.8	179.7	172.3	4.6	0	0	0	109.9	S54 R55	D52-S54 PolarHBondContact O-N 2.81Å; D52-S54 WeakPolarHBondContact OD1-CB 3.24Å; D52-S54 PolarHBondContact OD1-N 3.01Å; D52-S54 PolarHBondContact OD1-OG 3.2Å; D52-S54 PolarHBondContact OD2-OG 3.06Å; D52-S54 VanDerWaalsContact OD2-OG 3.08Å; D52-R55 HydrophobicContact CB-CG 4.29Å; D52-R55 PolarHBondContact O-N 3.48Å; D52-R55 IonicContact OD2-CZ 3.98Å; D52-R55 IonicContact OD2-NE 3.71Å; D52-R55 PolarHBondContact OD2-NE 2.73Å; D52-R55 IonicContact OD2-NH2 2.7Å; D52-R55 PolarHBondContact OD2-NH2 3.1Å
53	F	87.9	Confident	88	Confident	13 Å²	13	40 Å²	40	6%	0.057	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.9	-177	-63.8	-43.3	0	0	0	114.4	I37 P40 R55 P81 F82 L121 L189 T190	I37-F53 HydrophobicContact CG2-CD2 3.69Å; I37-F53 HydrophobicContact CG2-CE2 3.7Å; P40-F53 HydrophobicContact CG-CD2 4.19Å; P40-F53 HydrophobicContact CG-CE1 4.13Å; P40-F53 HydrophobicContact CG-CE2 3.71Å; P40-F53 HydrophobicContact CG-CZ 3.69Å; F53-R55 VanDerWaalsContact C-N 3.25Å; F53-R55 PolarHBondContact O-N 3.16Å; F53-P81 WeakPolarHBondContact O-CB 3.39Å; F53-P81 WeakPolarHBondContact O-CG 3.47Å; F53-F82 HydrophobicContact CB-CE1 4.46Å; F53-F82 HydrophobicContact CB-CZ 3.82Å; F53-F82 AromaticContact CD1-CE1 3.45Å; F53-F82 HydrophobicContact CD1-CE1 3.45Å; F53-F82 VanDerWaalsContact CD1-CE1 3.45Å; F53-F82 AromaticContact CD1-CZ 3.69Å; F53-F82 HydrophobicContact CD1-CZ 3.69Å; F53-F82 AromaticContact CE1-CE1 3.79Å; F53-F82 HydrophobicContact CE1-CE1 3.79Å; F53-F82 HydrophobicContact CE1-CZ 4.36Å; F53-F82 HydrophobicContact CG-CE1 4.07Å; F53-F82 AromaticContact CG-CZ 3.81Å; F53-F82 HydrophobicContact CG-CZ 3.81Å; F53-L121 HydrophobicContact CB-CD1 4.03Å; F53-L121 HydrophobicContact CB-CD2 4.06Å; F53-L121 WeakPolarHBondContact O-CD2 3.48Å; F53-L189 HydrophobicContact CE1-CB 4.26Å; F53-L189 HydrophobicContact CE2-CB 4.1Å; F53-L189 HydrophobicContact CZ-CB 3.85Å; F53-T190 HydrophobicContact CZ-CG2 3.94Å
54	S	86.7	Confident	88.6	Confident	89 Å²	89	39 Å²	39	62%	0.622	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-16	178.4	70.6	0	0	0	0	113.5	D52	D52-S54 PolarHBondContact O-N 2.81Å; D52-S54 WeakPolarHBondContact OD1-CB 3.24Å; D52-S54 PolarHBondContact OD1-N 3.01Å; D52-S54 PolarHBondContact OD1-OG 3.2Å; D52-S54 PolarHBondContact OD2-OG 3.06Å; D52-S54 VanDerWaalsContact OD2-OG 3.08Å
55	R	89.2	Confident	89	Confident	83 Å²	83	42.3 Å²	42.3	31%	0.313	23%	0.227	S	C	.	.	S	Bend	trans	-122.8	157.2	-178.8	75.2	-174.7	87	173.1	7.4	112.3	D52 F53 E70	D52-R55 HydrophobicContact CB-CG 4.29Å; D52-R55 PolarHBondContact O-N 3.48Å; D52-R55 IonicContact OD2-CZ 3.98Å; D52-R55 IonicContact OD2-NE 3.71Å; D52-R55 PolarHBondContact OD2-NE 2.73Å; D52-R55 IonicContact OD2-NH2 2.7Å; D52-R55 PolarHBondContact OD2-NH2 3.1Å; F53-R55 VanDerWaalsContact C-N 3.25Å; F53-R55 PolarHBondContact O-N 3.16Å; R55-E70 VanDerWaalsContact CD-OE2 3.22Å; R55-E70 WeakPolarHBondContact CD-OE2 2.95Å; R55-E70 IonicContact NH1-OE2 3.81Å
56	P	91.1	Very high	89.1	Confident	17 Å²	17	42.8 Å²	42.8	11%	0.11	23%	0.228	C	C	.	.			trans	-70.8	140.9	179.4	-16.8	32.6	0	0	0	112.1	L69 A79	P56-L69 HydrophobicContact CB-CB 4.19Å; P56-L69 HydrophobicContact CB-CD2 4.15Å; P56-L69 HydrophobicContact CG-CD2 3.98Å; P56-L69 WeakPolarHBondContact O-CB 3.43Å; P56-L69 PolarHBondContact O-N 2.64Å; P56-A79 HydrophobicContact CB-CB 3.92Å; P56-A79 HydrophobicContact CG-CB 4.23Å; P56-A79 WeakPolarHBondContact CG-O 2.89Å
57	D	92.1	Very high	89.2	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.3	-179.1	56.6	26.1	0	0	0	114.3	R51 W66 F67	R51-D57 WeakPolarHBondContact CD-OD2 3.39Å; R51-D57 WeakPolarHBondContact CG-OD2 3.25Å; R51-D57 IonicContact CZ-OD1 2.83Å; R51-D57 IonicContact CZ-OD2 2.7Å; R51-D57 IonicContact NE-OD1 2.94Å; R51-D57 PolarHBondContact NE-OD1 2.94Å; R51-D57 IonicContact NE-OD2 2.75Å; R51-D57 PolarHBondContact NE-OD2 3.21Å; R51-D57 IonicContact NH2-OD1 2.71Å; R51-D57 PolarHBondContact NH2-OD1 3.36Å; R51-D57 IonicContact NH2-OD2 3.2Å; R51-D57 PolarHBondContact NH2-OD2 2.91Å; D57-W66 HydrophobicContact CB-CE3 4.05Å; D57-W66 WeakPolarHBondContact OD1-CZ3 3.49Å; D57-F67 CarbonylContact C-O 3.58Å; D57-F67 WeakPolarHBondContact CA-O 3.24Å
58	F	92.5	Very high	89.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.1	-170	-58.4	-77.9	0	0	0	111.6	F67 L69 I72 I76 A79 Y86 F88 F101	F58-F67 PolarHBondContact N-O 3.15Å; F58-F67 PolarHBondContact O-N 2.94Å; F58-L69 HydrophobicContact CE2-CB 4Å; F58-L69 HydrophobicContact CE2-CD1 3.85Å; F58-L69 HydrophobicContact CE2-CG 4.47Å; F58-L69 HydrophobicContact CZ-CD1 4.41Å; F58-I72 HydrophobicContact CD2-CD1 3.57Å; F58-I72 HydrophobicContact CE2-CD1 3.9Å; F58-I72 HydrophobicContact CG-CD1 4.35Å; F58-I76 HydrophobicContact CD1-CD1 4.4Å; F58-I76 HydrophobicContact CD2-CD1 4.16Å; F58-I76 HydrophobicContact CE1-CD1 3.92Å; F58-I76 HydrophobicContact CE2-CD1 3.65Å; F58-I76 HydrophobicContact CZ-CD1 3.52Å; F58-I76 HydrophobicContact CZ-CG2 4.2Å; F58-A79 HydrophobicContact CZ-CB 4.25Å; F58-Y86 WeakPolarHBondContact CA-OH 3.41Å; F58-Y86 HydrophobicContact CB-CE2 4.34Å; F58-Y86 AromaticContact CD1-CD1 3.75Å; F58-Y86 HydrophobicContact CD1-CD1 3.75Å; F58-Y86 HydrophobicContact CD1-CD2 4.24Å; F58-Y86 AromaticContact CD1-CE1 3.51Å; F58-Y86 HydrophobicContact CD1-CE1 3.51Å; F58-Y86 HydrophobicContact CD1-CE2 4.07Å; F58-Y86 HydrophobicContact CD1-CG 4.13Å; F58-Y86 AromaticContact CD1-CZ 3.74Å; F58-Y86 AromaticContact CE1-CD1 3.95Å; F58-Y86 HydrophobicContact CE1-CD1 3.95Å; F58-Y86 AromaticContact CE1-CE1 3.95Å; F58-Y86 HydrophobicContact CE1-CE1 3.95Å; F58-F88 HydrophobicContact CB-CB 4.18Å; F58-F88 HydrophobicContact CB-CD1 3.69Å; F58-F88 HydrophobicContact CB-CE1 4.26Å; F58-F88 HydrophobicContact CB-CG 3.94Å; F58-F101 HydrophobicContact CD1-CD2 4.37Å; F58-F101 AromaticContact CD1-CE2 3.51Å; F58-F101 HydrophobicContact CD1-CE2 3.51Å; F58-F101 HydrophobicContact CD1-CZ 4.16Å; F58-F101 AromaticContact CE1-CE2 3.67Å; F58-F101 HydrophobicContact CE1-CE2 3.67Å; F58-F101 AromaticContact CE1-CZ 3.83Å; F58-F101 HydrophobicContact CE1-CZ 3.83Å; F58-F101 HydrophobicContact CG-CE2 4.3Å
59	Q	92.6	Very high	89.5	Confident	31 Å²	31	33.7 Å²	33.7	15%	0.145	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.1	177.5	-161.8	-176.3	32	0	0	111.2	Y64 K65 W66 Y86 P194 Y196	Q59-Y64 VanDerWaalsContact CG-O 3.26Å; Q59-Y64 WeakPolarHBondContact CG-O 3.27Å; Q59-Y64 PolarHBondContact NE2-O 3.33Å; Q59-K65 WeakPolarHBondContact CA-O 3.45Å; Q59-W66 HydrophobicContact CB-CD2 3.82Å; Q59-W66 HydrophobicContact CB-CE3 3.89Å; Q59-W66 HydrophobicContact CB-CH2 3.91Å; Q59-W66 HydrophobicContact CB-CZ2 3.81Å; Q59-W66 HydrophobicContact CB-CZ3 3.94Å; Q59-W66 HydrophobicContact CG-CD2 4.11Å; Q59-W66 HydrophobicContact CG-CG 4.43Å; Q59-W66 HydrophobicContact CG-CZ2 4.11Å; Q59-Y86 PolarHBondContact N-OH 3.5Å; Q59-P194 HydrophobicContact CB-CG 3.97Å; Q59-Y196 PolarHBondContact O-OH 3.37Å
60	C	91.8	Very high	89.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-71.3	130.2	178.1	176.1	0	0	0	0	112.6	V62 Y64 K65 F67 F88 C90	C60-V62 PolarHBondContact O-N 3.49Å; C60-Y64 VanDerWaalsContact O-CA 3.31Å; C60-Y64 WeakPolarHBondContact O-CA 3.25Å; C60-Y64 PolarHBondContact O-N 2.69Å; C60-K65 PolarHBondContact N-O 3.04Å; C60-F67 HydrophobicContact CB-CD2 4.38Å; C60-F67 HydrophobicContact CB-CE2 3.89Å; C60-F88 CarbonylContact C-O 3.54Å; C60-F88 WeakPolarHBondContact CA-O 3.28Å; C60-F88 HydrophobicContact CB-CD1 4.3Å; C60-F88 HydrophobicContact CB-CE1 4.45Å; C60-C90 HydrophobicContact CB-CB 4.14Å; C60-C90 PolarHBondContact SG-N 3.46Å; C60-C90 VanDerWaalsContact SG-N 3.4Å; C60-C90 VanDerWaalsContact SG-SG 3.68Å
61	S	90.1	Very high	89.9	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	2	179.4	68.5	0	0	0	0	116.7	H87 F88 Y196	S61-H87 WeakPolarHBondContact CB-NE2 3.35Å; S61-H87 PolarHBondContact OG-NE2 2.72Å; S61-F88 WeakPolarHBondContact CB-O 3.48Å; S61-F88 PolarHBondContact N-O 3.12Å; S61-F88 PolarHBondContact OG-O 3.48Å; S61-Y196 VanDerWaalsContact CA-CE2 3.47Å; S61-Y196 VanDerWaalsContact CB-CZ 3.44Å
62	V	86.7	Confident	90.1	Very high	30 Å²	30	35.9 Å²	35.9	18%	0.182	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-51.5	-175.4	172.8	0	0	0	0	111.9	C60 M89 C93	C60-V62 PolarHBondContact O-N 3.49Å; V62-M89 HydrophobicContact CG2-CE 3.92Å; V62-M89 HydrophobicContact CG2-CG 4.04Å; V62-M89 HydrophobicContact CG2-SD 4.06Å; V62-C93 HydrophobicContact CB-CB 3.66Å; V62-C93 HydrophobicContact CG1-CB 3.72Å; V62-C93 HydrophobicContact CG2-CB 4.17Å
63	C	89.4	Confident	89.9	Confident	53 Å²	53	38.2 Å²	38.2	36%	0.358	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.1	-178.8	68.9	0	0	0	0	114.6	K65 C93	C63-K65 PolarHBondContact O-N 3.07Å; C63-C93 VanDerWaalsContact CB-SG 3.55Å
64	Y	89.3	Confident	89.4	Confident	59 Å²	59	41.6 Å²	41.6	23%	0.231	23%	0.226	C	C	.	.			trans	56.2	4.3	177.8	-62.2	-93.4	0	0	0	116.5	Q59 C60 Y196	Q59-Y64 VanDerWaalsContact CG-O 3.26Å; Q59-Y64 WeakPolarHBondContact CG-O 3.27Å; Q59-Y64 PolarHBondContact NE2-O 3.33Å; C60-Y64 VanDerWaalsContact O-CA 3.31Å; C60-Y64 WeakPolarHBondContact O-CA 3.25Å; C60-Y64 PolarHBondContact O-N 2.69Å; Y64-Y196 HydrophobicContact CE1-CD2 4.45Å
65	K	89.7	Confident	88.9	Confident	100 Å²	100	44.7 Å²	44.7	44%	0.435	24%	0.236	S	C	.	.			trans	-69.7	149.9	169	-66.8	-161.2	170.4	-148	0	111.4	P43 Q59 C60 C63 F67	P43-K65 PolarHBondContact O-NZ 2.96Å; Q59-K65 WeakPolarHBondContact CA-O 3.45Å; C60-K65 PolarHBondContact N-O 3.04Å; C63-K65 PolarHBondContact O-N 3.07Å; K65-F67 HydrophobicContact CB-CE2 3.74Å; K65-F67 HydrophobicContact CB-CZ 4.06Å; K65-F67 WeakPolarHBondContact O-CD2 3.38Å; K65-F67 WeakPolarHBondContact O-CE2 3.33Å
66	W	92.1	Very high	88.4	Confident	15 Å²	15	41.5 Å²	41.5	6%	0.057	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.7	177.2	-69	86.4	0	0	0	111.8	Q44 C45 R51 D57 Q59 I192	Q44-W66 CarbonylContact C-O 3.53Å; Q44-W66 VanDerWaalsContact C-O 3.29Å; C45-W66 WeakPolarHBondContact CA-O 3.48Å; C45-W66 PolarHBondContact N-O 3.2Å; R51-W66 HydrophobicContact CB-CB 4.5Å; R51-W66 HydrophobicContact CG-CB 4.18Å; R51-W66 HydrophobicContact CG-CG 4.39Å; R51-W66 VanDerWaalsContact NH1-CZ2 3.34Å; D57-W66 HydrophobicContact CB-CE3 4.05Å; D57-W66 WeakPolarHBondContact OD1-CZ3 3.49Å; Q59-W66 HydrophobicContact CB-CD2 3.82Å; Q59-W66 HydrophobicContact CB-CE3 3.89Å; Q59-W66 HydrophobicContact CB-CH2 3.91Å; Q59-W66 HydrophobicContact CB-CZ2 3.81Å; Q59-W66 HydrophobicContact CB-CZ3 3.94Å; Q59-W66 HydrophobicContact CG-CD2 4.11Å; Q59-W66 HydrophobicContact CG-CG 4.43Å; Q59-W66 HydrophobicContact CG-CZ2 4.11Å; W66-I192 WeakPolarHBondContact CH2-O 3.39Å; W66-I192 VanDerWaalsContact CZ2-O 3.23Å; W66-I192 WeakPolarHBondContact CZ2-O 3.41Å
67	F	92.1	Very high	87.9	Confident	6 Å²	6	42.7 Å²	42.7	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125	-178	-62	-96.4	0	0	0	109.6	Y46 D57 F58 C60 K65 I72 F88 C90	Y46-F67 HydrophobicContact CD1-CD1 4.18Å; Y46-F67 AromaticContact CD1-CE1 3.77Å; Y46-F67 HydrophobicContact CD1-CE1 3.77Å; Y46-F67 AromaticContact CD2-CD1 3.58Å; Y46-F67 HydrophobicContact CD2-CD1 3.58Å; Y46-F67 HydrophobicContact CD2-CE1 4.04Å; Y46-F67 HydrophobicContact CE1-CD1 4.1Å; Y46-F67 AromaticContact CE1-CE1 3.58Å; Y46-F67 HydrophobicContact CE1-CE1 3.58Å; Y46-F67 AromaticContact CE2-CD1 3.51Å; Y46-F67 HydrophobicContact CE2-CD1 3.51Å; Y46-F67 AromaticContact CE2-CE1 3.89Å; Y46-F67 HydrophobicContact CE2-CE1 3.89Å; Y46-F67 HydrophobicContact CE2-CG 4.45Å; Y46-F67 AromaticContact CG-CD1 3.94Å; Y46-F67 HydrophobicContact CG-CD1 3.94Å; Y46-F67 HydrophobicContact CG-CE1 4Å; Y46-F67 AromaticContact CZ-CD1 3.79Å; Y46-F67 AromaticContact CZ-CE1 3.66Å; D57-F67 CarbonylContact C-O 3.58Å; D57-F67 WeakPolarHBondContact CA-O 3.24Å; F58-F67 PolarHBondContact N-O 3.15Å; F58-F67 PolarHBondContact O-N 2.94Å; C60-F67 HydrophobicContact CB-CD2 4.38Å; C60-F67 HydrophobicContact CB-CE2 3.89Å; K65-F67 HydrophobicContact CB-CE2 3.74Å; K65-F67 HydrophobicContact CB-CZ 4.06Å; K65-F67 WeakPolarHBondContact O-CD2 3.38Å; K65-F67 WeakPolarHBondContact O-CE2 3.33Å; F67-I72 HydrophobicContact CB-CG2 3.89Å; F67-F88 HydrophobicContact CB-CE1 3.99Å; F67-F88 HydrophobicContact CB-CZ 4.48Å; F67-F88 HydrophobicContact CD2-CD1 4.49Å; F67-F88 AromaticContact CD2-CE1 3.67Å; F67-F88 HydrophobicContact CD2-CE1 3.67Å; F67-F88 HydrophobicContact CE2-CE1 4.42Å; F67-F88 AromaticContact CG-CE1 3.95Å; F67-F88 HydrophobicContact CG-CE1 3.95Å; F67-C90 HydrophobicContact CD2-CB 4.18Å; F67-C90 HydrophobicContact CE1-CB 4.14Å; F67-C90 HydrophobicContact CE2-CB 3.72Å; F67-C90 HydrophobicContact CZ-CB 3.72Å; F67-C90 VanDerWaalsContact CZ-SG 3.56Å
68	H	92	Very high	87.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	149.6	179.2	-50.5	130	0	0	0	111.8	C45 P50 E70 C71 I72	C45-H68 PolarHBondContact SG-N 3.25Å; P50-H68 PolarHBondContact O-CE1 2.63Å; P50-H68 PolarHBondContact O-NE2 2.83Å; P50-H68 VanDerWaalsContact O-NE2 3.17Å; H68-E70 WeakPolarHBondContact CB-OE2 3.47Å; H68-E70 PolarHBondContact O-N 2.71Å; H68-C71 HydrophobicContact CB-CB 4.35Å; H68-C71 WeakPolarHBondContact O-CB 3.34Å; H68-C71 PolarHBondContact O-N 2.79Å; H68-I72 PolarHBondContact O-N 3.48Å
69	L	90.8	Very high	87.3	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.199	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-53.2	-38.1	176.4	176.1	58.9	0	0	0	112.7	P56 F58 C71 I72 I76	P56-L69 HydrophobicContact CB-CB 4.19Å; P56-L69 HydrophobicContact CB-CD2 4.15Å; P56-L69 HydrophobicContact CG-CD2 3.98Å; P56-L69 WeakPolarHBondContact O-CB 3.43Å; P56-L69 PolarHBondContact O-N 2.64Å; F58-L69 HydrophobicContact CE2-CB 4Å; F58-L69 HydrophobicContact CE2-CD1 3.85Å; F58-L69 HydrophobicContact CE2-CG 4.47Å; F58-L69 HydrophobicContact CZ-CD1 4.41Å; L69-C71 PolarHBondContact O-N 3.49Å; L69-I72 HydrophobicContact CD1-CD1 4.41Å; L69-I72 VanDerWaalsContact O-CG1 3.27Å; L69-I72 WeakPolarHBondContact O-CG1 3.29Å; L69-I76 HydrophobicContact CD1-CB 4Å; L69-I76 HydrophobicContact CD1-CD1 4.29Å
70	E	89.4	Confident	87.2	Confident	112 Å²	112	50 Å²	50	52%	0.523	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-76.9	-9.9	-178.3	-43.5	74.5	-144.1	0	0	113.1	R55 H68	R55-E70 VanDerWaalsContact CD-OE2 3.22Å; R55-E70 WeakPolarHBondContact CD-OE2 2.95Å; R55-E70 IonicContact NH1-OE2 3.81Å; H68-E70 WeakPolarHBondContact CB-OE2 3.47Å; H68-E70 PolarHBondContact O-N 2.71Å
71	C	89.9	Confident	87.1	Confident	38 Å²	38	50.7 Å²	50.7	26%	0.257	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-104.2	-10.7	-175.7	-65.3	0	0	0	0	113.5	C45 Y46 C47 H68 L69	C45-C71 WeakPolarHBondContact SG-CB 3.48Å; Y46-C71 HydrophobicContact CD2-CB 4.34Å; Y46-C71 VanDerWaalsContact CD2-O 3.23Å; Y46-C71 WeakPolarHBondContact CD2-O 3.28Å; C47-C71 VanDerWaalsContact SG-SG 3.66Å; H68-C71 HydrophobicContact CB-CB 4.35Å; H68-C71 WeakPolarHBondContact O-CB 3.34Å; H68-C71 PolarHBondContact O-N 2.79Å; L69-C71 PolarHBondContact O-N 3.49Å
72	I	89.3	Confident	87.2	Confident	15 Å²	15	50.7 Å²	50.7	8%	0.077	28%	0.278	C	S	.	.	S	Bend	trans	-95.6	148.2	176.9	55.4	168.9	0	0	0	110.5	Y46 F58 F67 H68 L69 F74 I76 F88 E99	Y46-I72 HydrophobicContact CE2-CG2 4.34Å; F58-I72 HydrophobicContact CD2-CD1 3.57Å; F58-I72 HydrophobicContact CE2-CD1 3.9Å; F58-I72 HydrophobicContact CG-CD1 4.35Å; F67-I72 HydrophobicContact CB-CG2 3.89Å; H68-I72 PolarHBondContact O-N 3.48Å; L69-I72 HydrophobicContact CD1-CD1 4.41Å; L69-I72 VanDerWaalsContact O-CG1 3.27Å; L69-I72 WeakPolarHBondContact O-CG1 3.29Å; I72-F74 HydrophobicContact CD1-CB 4.42Å; I72-F74 PolarHBondContact O-N 3.42Å; I72-I76 HydrophobicContact CD1-CD1 3.49Å; I72-I76 VanDerWaalsContact CD1-CD1 3.49Å; I72-I76 HydrophobicContact CD1-CG1 4.47Å; I72-F88 HydrophobicContact CG2-CE1 4.26Å; I72-F88 HydrophobicContact CG2-CE2 4.05Å; I72-F88 HydrophobicContact CG2-CZ 3.54Å; I72-E99 VanDerWaalsContact CA-OE2 3.31Å; I72-E99 WeakPolarHBondContact CA-OE2 3.14Å; I72-E99 WeakPolarHBondContact CB-OE2 3.13Å
73	A	83.1	Confident	87.5	Confident	97 Å²	97	49.6 Å²	49.6	80%	0.802	27%	0.271	S	S	*	.	S	Bend	trans	-79.9	1.8	-178.9	0	0	0	0	0	113.3	E99	A73-E99 PolarHBondContact N-OE2 2.88Å
74	F	77.6	Confident	87.6	Confident	84 Å²	84	47.7 Å²	47.7	37%	0.368	26%	0.258	S	S	.	.			trans	-96	117.1	-174	-132.3	-77.9	0	0	0	111	I72 I76 E99 F101	I72-F74 HydrophobicContact CD1-CB 4.42Å; I72-F74 PolarHBondContact O-N 3.42Å; F74-I76 HydrophobicContact CB-CG1 4.34Å; F74-I76 HydrophobicContact CD1-CG1 4.43Å; F74-I76 PolarHBondContact O-N 3.19Å; F74-E99 HydrophobicContact CD2-CB 4.48Å; F74-E99 WeakPolarHBondContact CE2-O 3.4Å; F74-F101 HydrophobicContact CB-CB 4.24Å; F74-F101 HydrophobicContact CD1-CB 3.77Å; F74-F101 HydrophobicContact CD1-CD1 4.26Å; F74-F101 HydrophobicContact CD1-CG 4.4Å; F74-F101 HydrophobicContact CD2-CB 3.75Å; F74-F101 HydrophobicContact CE1-CB 4Å; F74-F101 HydrophobicContact CE2-CB 3.98Å; F74-F101 HydrophobicContact CG-CB 3.63Å; F74-F101 HydrophobicContact CZ-CB 4.1Å
75	N	77.5	Confident	87.6	Confident	154 Å²	154	45.4 Å²	45.4	82%	0.824	25%	0.252	S	S	*	.			trans	-74.9	94.9	174.6	-172	-4.9	0	0	0	110.4	G77	N75-G77 PolarHBondContact OD1-N 3.28Å
76	I	78.1	Confident	87.6	Confident	16 Å²	16	40.7 Å²	40.7	8%	0.082	23%	0.231	C	C	.	.			trans	-86.4	-12.8	-179	-66.5	173.8	0	0	0	112	F58 L69 I72 F74 A79 F101 R103	F58-I76 HydrophobicContact CD1-CD1 4.4Å; F58-I76 HydrophobicContact CD2-CD1 4.16Å; F58-I76 HydrophobicContact CE1-CD1 3.92Å; F58-I76 HydrophobicContact CE2-CD1 3.65Å; F58-I76 HydrophobicContact CZ-CD1 3.52Å; F58-I76 HydrophobicContact CZ-CG2 4.2Å; L69-I76 HydrophobicContact CD1-CB 4Å; L69-I76 HydrophobicContact CD1-CD1 4.29Å; I72-I76 HydrophobicContact CD1-CD1 3.49Å; I72-I76 VanDerWaalsContact CD1-CD1 3.49Å; I72-I76 HydrophobicContact CD1-CG1 4.47Å; F74-I76 HydrophobicContact CB-CG1 4.34Å; F74-I76 HydrophobicContact CD1-CG1 4.43Å; F74-I76 PolarHBondContact O-N 3.19Å; I76-A79 HydrophobicContact CG2-CB 4.46Å; I76-F101 HydrophobicContact CB-CE1 4.46Å; I76-F101 HydrophobicContact CD1-CD1 3.69Å; I76-F101 HydrophobicContact CD1-CD2 3.76Å; I76-F101 HydrophobicContact CD1-CE1 3.58Å; I76-F101 HydrophobicContact CD1-CE2 3.68Å; I76-F101 HydrophobicContact CD1-CG 3.78Å; I76-F101 HydrophobicContact CD1-CZ 3.59Å; I76-F101 HydrophobicContact CG1-CD1 3.65Å; I76-F101 HydrophobicContact CG1-CE1 3.64Å; I76-F101 HydrophobicContact CG1-CG 4.16Å; I76-F101 HydrophobicContact CG1-CZ 4.16Å; I76-F101 HydrophobicContact CG2-CE1 4.05Å; I76-F101 HydrophobicContact CG2-CZ 4.3Å; I76-R103 PolarHBondContact O-NH2 2.9Å
77	G	80.7	Confident	87.5	Confident	41 Å²	41	41.3 Å²	41.3	42%	0.423	24%	0.235	S	C	.	.			trans	68	-155.8	-165.7	0	0	0	0	0	112	N75	N75-G77 PolarHBondContact OD1-N 3.28Å
78	K	83.7	Confident	87.5	Confident	158 Å²	158	41 Å²	41	69%	0.687	23%	0.233	S	C	*	.	S	Bend	trans	-61.5	141.5	175	-66.3	-175.5	-179	179.1	0	111.8	R103 E145	K78-R103 PolarHBondContact O-NH2 3.17Å; K78-E145 HydrophobicContact CB-CG 3.89Å; K78-E145 WeakPolarHBondContact CD-OE1 3.17Å; K78-E145 IonicContact NZ-OE1 3.23Å
79	A	87.5	Confident	87.4	Confident	15 Å²	15	42.6 Å²	42.6	12%	0.124	24%	0.241	C	C	.	.			trans	-148.2	159.8	172.9	0	0	0	0	0	109.4	P56 F58 I76	P56-A79 HydrophobicContact CB-CB 3.92Å; P56-A79 HydrophobicContact CG-CB 4.23Å; P56-A79 WeakPolarHBondContact CG-O 2.89Å; F58-A79 HydrophobicContact CZ-CB 4.25Å; I76-A79 HydrophobicContact CG2-CB 4.46Å
80	L	90.3	Very high	87.5	Confident	16 Å²	16	40.8 Å²	40.8	8%	0.084	23%	0.232	C	C	.	.			trans	-97.5	153	170.3	-74.1	176.3	0	0	0	111.3	T114 F138 Y142 E145 L146	L80-T114 HydrophobicContact CB-CG2 4.47Å; L80-T114 HydrophobicContact CD1-CG2 4.43Å; L80-F138 HydrophobicContact CD1-CE1 3.85Å; L80-F138 HydrophobicContact CD1-CZ 3.94Å; L80-F138 HydrophobicContact CD2-CZ 4.47Å; L80-Y142 HydrophobicContact CD1-CD1 4.34Å; L80-Y142 HydrophobicContact CD1-CG 4.03Å; L80-Y142 HydrophobicContact CD2-CD1 3.73Å; L80-Y142 HydrophobicContact CD2-CE1 4.05Å; L80-Y142 HydrophobicContact CD2-CG 4.15Å; L80-Y142 HydrophobicContact CG-CD1 4.29Å; L80-Y142 HydrophobicContact CG-CG 4.48Å; L80-E145 HydrophobicContact CG-CB 4.18Å; L80-L146 HydrophobicContact CD1-CD2 3.86Å; L80-L146 HydrophobicContact CD1-CG 4.05Å
81	P	90.9	Very high	87.6	Confident	15 Å²	15	41.5 Å²	41.5	10%	0.097	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	155.4	154.8	-23.3	33.3	0	0	0	112.1	F53 L83 N118	F53-P81 WeakPolarHBondContact O-CB 3.39Å; F53-P81 WeakPolarHBondContact O-CG 3.47Å; P81-L83 PolarHBondContact O-N 3.12Å; P81-N118 WeakPolarHBondContact CD-OD1 3.34Å; P81-N118 PolarHBondContact O-ND2 3.11Å
82	F	92.3	Very high	87.6	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.009	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	12.2	178.2	-46	-67.4	0	0	0	116.6	F53 T84 T114 A117 L121 L189 I192	F53-F82 HydrophobicContact CB-CE1 4.46Å; F53-F82 HydrophobicContact CB-CZ 3.82Å; F53-F82 AromaticContact CD1-CE1 3.45Å; F53-F82 HydrophobicContact CD1-CE1 3.45Å; F53-F82 VanDerWaalsContact CD1-CE1 3.45Å; F53-F82 AromaticContact CD1-CZ 3.69Å; F53-F82 HydrophobicContact CD1-CZ 3.69Å; F53-F82 AromaticContact CE1-CE1 3.79Å; F53-F82 HydrophobicContact CE1-CE1 3.79Å; F53-F82 HydrophobicContact CE1-CZ 4.36Å; F53-F82 HydrophobicContact CG-CE1 4.07Å; F53-F82 AromaticContact CG-CZ 3.81Å; F53-F82 HydrophobicContact CG-CZ 3.81Å; F82-T84 WeakPolarHBondContact O-CG2 3.43Å; F82-T84 PolarHBondContact O-N 3.2Å; F82-T114 PolarHBondContact O-OG1 3.5Å; F82-A117 HydrophobicContact CB-CB 3.7Å; F82-A117 HydrophobicContact CD1-CB 4.26Å; F82-A117 HydrophobicContact CD2-CB 3.57Å; F82-A117 HydrophobicContact CE2-CB 4.26Å; F82-A117 HydrophobicContact CG-CB 3.57Å; F82-L121 HydrophobicContact CE2-CB 4.17Å; F82-L121 HydrophobicContact CE2-CD2 4Å; F82-L121 HydrophobicContact CZ-CD2 4.42Å; F82-L189 HydrophobicContact CD1-CD2 4.29Å; F82-L189 HydrophobicContact CE1-CB 3.87Å; F82-L189 HydrophobicContact CE1-CD1 4.36Å; F82-L189 HydrophobicContact CE1-CD2 3.85Å; F82-L189 HydrophobicContact CE1-CG 4.23Å; F82-L189 HydrophobicContact CE2-CD2 4.34Å; F82-L189 HydrophobicContact CZ-CB 4.2Å; F82-L189 HydrophobicContact CZ-CD1 3.84Å; F82-L189 HydrophobicContact CZ-CD2 3.88Å; F82-L189 HydrophobicContact CZ-CG 4.19Å; F82-I192 HydrophobicContact CB-CG2 4.15Å; F82-I192 HydrophobicContact CD1-CB 4.33Å; F82-I192 HydrophobicContact CD1-CG2 4.48Å
83	L	91.6	Very high	87.7	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	26%	0.256	C	S	.	.			trans	-58.5	137	170.2	-173.6	67	0	0	0	109.8	P81 A85 Y86	P81-L83 PolarHBondContact O-N 3.12Å; L83-A85 HydrophobicContact CD1-CB 4.48Å; L83-Y86 HydrophobicContact CB-CE1 4.45Å; L83-Y86 HydrophobicContact CD2-CD1 4.22Å; L83-Y86 HydrophobicContact CG-CD1 4.16Å; L83-Y86 WeakPolarHBondContact O-CE1 3.4Å
84	T	91.6	Very high	87.9	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.08	22%	0.222	C	C	.	.			trans	-127.3	-6.9	178.3	64.2	0	0	0	0	113.8	F82 Y86 V110 I192 G193	F82-T84 WeakPolarHBondContact O-CG2 3.43Å; F82-T84 PolarHBondContact O-N 3.2Å; T84-Y86 VanDerWaalsContact C-N 3.26Å; T84-Y86 PolarHBondContact O-N 3.36Å; T84-V110 VanDerWaalsContact OG1-CG1 3.26Å; T84-V110 WeakPolarHBondContact OG1-CG1 3.39Å; T84-I192 HydrophobicContact CG2-CG2 3.98Å; T84-G193 VanDerWaalsContact CG2-C 3.47Å; T84-G193 WeakPolarHBondContact CG2-O 3.4Å
85	A	90	Very high	88.1	Confident	12 Å²	12	45.4 Å²	45.4	10%	0.099	24%	0.244	C	C	.	.	S	Bend	trans	-81.3	56	-179.5	0	0	0	0	0	113.1	L83 K104 A106 V110	L83-A85 HydrophobicContact CD1-CB 4.48Å; A85-K104 PolarHBondContact O-N 2.99Å; A85-A106 HydrophobicContact CB-CB 3.82Å; A85-V110 HydrophobicContact CB-CG1 4.01Å
86	Y	90.2	Very high	88.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	174.9	176.8	60.2	-106.1	0	0	0	113.7	F58 Q59 L83 T84 F88 F101 S102 K104 P194	F58-Y86 WeakPolarHBondContact CA-OH 3.41Å; F58-Y86 HydrophobicContact CB-CE2 4.34Å; F58-Y86 AromaticContact CD1-CD1 3.75Å; F58-Y86 HydrophobicContact CD1-CD1 3.75Å; F58-Y86 HydrophobicContact CD1-CD2 4.24Å; F58-Y86 AromaticContact CD1-CE1 3.51Å; F58-Y86 HydrophobicContact CD1-CE1 3.51Å; F58-Y86 HydrophobicContact CD1-CE2 4.07Å; F58-Y86 HydrophobicContact CD1-CG 4.13Å; F58-Y86 AromaticContact CD1-CZ 3.74Å; F58-Y86 AromaticContact CE1-CD1 3.95Å; F58-Y86 HydrophobicContact CE1-CD1 3.95Å; F58-Y86 AromaticContact CE1-CE1 3.95Å; F58-Y86 HydrophobicContact CE1-CE1 3.95Å; Q59-Y86 PolarHBondContact N-OH 3.5Å; L83-Y86 HydrophobicContact CB-CE1 4.45Å; L83-Y86 HydrophobicContact CD2-CD1 4.22Å; L83-Y86 HydrophobicContact CG-CD1 4.16Å; L83-Y86 WeakPolarHBondContact O-CE1 3.4Å; T84-Y86 VanDerWaalsContact C-N 3.26Å; T84-Y86 PolarHBondContact O-N 3.36Å; Y86-F88 HydrophobicContact CD2-CB 4.04Å; Y86-F88 HydrophobicContact CE2-CB 4.1Å; Y86-F101 HydrophobicContact CD1-CE2 4.41Å; Y86-F101 HydrophobicContact CD2-CE2 4.09Å; Y86-F101 AromaticContact CG-CE2 3.81Å; Y86-F101 HydrophobicContact CG-CE2 3.81Å; Y86-F101 HydrophobicContact CG-CZ 4.22Å; Y86-S102 CarbonylContact C-O 3.51Å; Y86-S102 VanDerWaalsContact CA-O 3.25Å; Y86-S102 WeakPolarHBondContact CA-O 3.35Å; Y86-S102 WeakPolarHBondContact CB-O 3.42Å; Y86-K104 WeakPolarHBondContact O-CD 3.43Å; Y86-K104 WeakPolarHBondContact O-CE 3.31Å; Y86-K104 PolarHBondContact O-NZ 3.15Å; Y86-P194 HydrophobicContact CD2-CG 4.49Å; Y86-P194 HydrophobicContact CE2-CB 4.12Å; Y86-P194 HydrophobicContact CE2-CG 3.68Å; Y86-P194 WeakPolarHBondContact OH-CD 3.41Å
87	H	89.2	Confident	88.8	Confident	28 Å²	28	44.7 Å²	44.7	13%	0.13	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.3	155.9	169.8	-82.3	0	0	0	109	S61 F101 S102 Y196	S61-H87 WeakPolarHBondContact CB-NE2 3.35Å; S61-H87 PolarHBondContact OG-NE2 2.72Å; H87-F101 CarbonylContact O-C 3.55Å; H87-F101 WeakPolarHBondContact O-CA 3.19Å; H87-S102 PolarHBondContact N-O 3.41Å; H87-S102 PolarHBondContact O-N 2.78Å; H87-Y196 HydrophobicContact CB-CE1 4.32Å; H87-Y196 AromaticContact CD2-CE1 3.65Å
88	F	91.5	Very high	89	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.7	176	176.6	-122.1	0	0	0	110.9	F58 C60 S61 F67 I72 Y86 C90 E99 V100 F101 Y196	F58-F88 HydrophobicContact CB-CB 4.18Å; F58-F88 HydrophobicContact CB-CD1 3.69Å; F58-F88 HydrophobicContact CB-CE1 4.26Å; F58-F88 HydrophobicContact CB-CG 3.94Å; C60-F88 CarbonylContact C-O 3.54Å; C60-F88 WeakPolarHBondContact CA-O 3.28Å; C60-F88 HydrophobicContact CB-CD1 4.3Å; C60-F88 HydrophobicContact CB-CE1 4.45Å; S61-F88 WeakPolarHBondContact CB-O 3.48Å; S61-F88 PolarHBondContact N-O 3.12Å; S61-F88 PolarHBondContact OG-O 3.48Å; F67-F88 HydrophobicContact CB-CE1 3.99Å; F67-F88 HydrophobicContact CB-CZ 4.48Å; F67-F88 HydrophobicContact CD2-CD1 4.49Å; F67-F88 AromaticContact CD2-CE1 3.67Å; F67-F88 HydrophobicContact CD2-CE1 3.67Å; F67-F88 HydrophobicContact CE2-CE1 4.42Å; F67-F88 AromaticContact CG-CE1 3.95Å; F67-F88 HydrophobicContact CG-CE1 3.95Å; I72-F88 HydrophobicContact CG2-CE1 4.26Å; I72-F88 HydrophobicContact CG2-CE2 4.05Å; I72-F88 HydrophobicContact CG2-CZ 3.54Å; Y86-F88 HydrophobicContact CD2-CB 4.04Å; Y86-F88 HydrophobicContact CE2-CB 4.1Å; F88-C90 HydrophobicContact CE1-CB 3.78Å; F88-C90 HydrophobicContact CZ-CB 3.77Å; F88-E99 HydrophobicContact CE2-CB 4.29Å; F88-V100 CarbonylContact C-O 3.49Å; F88-V100 WeakPolarHBondContact CA-O 3.4Å; F88-F101 HydrophobicContact CB-CD2 3.99Å; F88-F101 HydrophobicContact CB-CE2 4.45Å; F88-F101 HydrophobicContact CD2-CB 4.37Å; F88-F101 HydrophobicContact CD2-CD2 4.04Å; F88-F101 HydrophobicContact CG-CD2 4.38Å; F88-Y196 PolarHBondContact N-OH 2.91Å
89	M	90.8	Very high	89.2	Confident	34 Å²	34	42.4 Å²	42.4	17%	0.167	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.8	168.9	-166.4	-178.2	-57.2	0	0	109.3	V62 C93 N94 V100	V62-M89 HydrophobicContact CG2-CE 3.92Å; V62-M89 HydrophobicContact CG2-CG 4.04Å; V62-M89 HydrophobicContact CG2-SD 4.06Å; M89-C93 HydrophobicContact CG-CB 3.89Å; M89-N94 HydrophobicContact CG-CB 4.38Å; M89-N94 HydrophobicContact SD-CB 3.98Å; M89-V100 HydrophobicContact CB-CB 4.17Å; M89-V100 PolarHBondContact N-O 3.14Å; M89-V100 PolarHBondContact O-N 2.99Å
90	C	92.4	Very high	89.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.			trans	-77.4	159.3	-176.1	77.6	0	0	0	0	112	Y46 C60 F67 F88 K92 C93 N94	Y46-C90 WeakPolarHBondContact OH-CB 3.49Å; C60-C90 HydrophobicContact CB-CB 4.14Å; C60-C90 PolarHBondContact SG-N 3.46Å; C60-C90 VanDerWaalsContact SG-N 3.4Å; C60-C90 VanDerWaalsContact SG-SG 3.68Å; F67-C90 HydrophobicContact CD2-CB 4.18Å; F67-C90 HydrophobicContact CE1-CB 4.14Å; F67-C90 HydrophobicContact CE2-CB 3.72Å; F67-C90 HydrophobicContact CZ-CB 3.72Å; F67-C90 VanDerWaalsContact CZ-SG 3.56Å; F88-C90 HydrophobicContact CE1-CB 3.78Å; F88-C90 HydrophobicContact CZ-CB 3.77Å; C90-K92 PolarHBondContact O-N 3.17Å; C90-C93 PolarHBondContact O-N 3.02Å; C90-N94 PolarHBondContact O-N 2.96Å
91	K	91.6	Very high	89.2	Confident	126 Å²	126	44.9 Å²	44.9	55%	0.548	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.3	-176.4	-156	-179.9	-175	174.6	0	114.5	Y46 G97 E99	Y46-K91 HydrophobicContact CE1-CB 4.5Å; Y46-K91 WeakPolarHBondContact OH-CB 3.47Å; Y46-K91 PolarHBondContact OH-N 3.08Å; K91-G97 WeakPolarHBondContact CE-O 3.43Å; K91-G97 WeakPolarHBondContact CG-O 3.47Å; K91-E99 HydrophobicContact CB-CG 3.95Å
92	K	90.6	Very high	88.9	Confident	144 Å²	144	47.2 Å²	47.2	63%	0.626	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.5	178.7	-65.1	-177.8	179.3	-179.2	0	113.8	Y46 C90	Y46-K92 HydrophobicContact CE1-CG 4.42Å; C90-K92 PolarHBondContact O-N 3.17Å
93	C	90.1	Very high	88.6	Confident	27 Å²	27	51.2 Å²	51.2	18%	0.182	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-28.3	-174.5	-68	0	0	0	0	114.1	V62 C63 M89 C90	V62-C93 HydrophobicContact CB-CB 3.66Å; V62-C93 HydrophobicContact CG1-CB 3.72Å; V62-C93 HydrophobicContact CG2-CB 4.17Å; C63-C93 VanDerWaalsContact CB-SG 3.55Å; M89-C93 HydrophobicContact CG-CB 3.89Å; C90-C93 PolarHBondContact O-N 3.02Å
94	N	87.6	Confident	88.2	Confident	18 Å²	18	52.6 Å²	52.6	10%	0.096	28%	0.276	C	S	.	.	S	Bend	trans	-74.2	124.4	170	-179.8	5	0	0	0	109.7	M89 C90 I96 G97 E98	M89-N94 HydrophobicContact CG-CB 4.38Å; M89-N94 HydrophobicContact SD-CB 3.98Å; C90-N94 PolarHBondContact O-N 2.96Å; N94-I96 PolarHBondContact O-N 3.26Å; N94-I96 PolarHBondContact OD1-N 2.74Å; N94-I96 VanDerWaalsContact OD1-N 3.11Å; N94-G97 PolarHBondContact O-N 3.49Å; N94-E98 WeakPolarHBondContact CB-O 3.31Å; N94-E98 PolarHBondContact ND2-O 2.73Å
95	P	81.5	Confident	87.9	Confident	128 Å²	128	56.6 Å²	56.6	83%	0.831	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27	176.5	-26.3	36	0	0	0	114.6	G97	P95-G97 PolarHBondContact O-N 2.78Å
96	I	85.8	Confident	87.7	Confident	126 Å²	126	56.2 Å²	56.2	65%	0.646	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.4	178.9	-57.1	171.1	0	0	0	111.5	N94 E98	N94-I96 PolarHBondContact O-N 3.26Å; N94-I96 PolarHBondContact OD1-N 2.74Å; N94-I96 VanDerWaalsContact OD1-N 3.11Å; I96-E98 VanDerWaalsContact C-N 3.35Å; I96-E98 HydrophobicContact CG2-CB 4.37Å; I96-E98 HydrophobicContact CG2-CG 4.03Å
97	G	84.1	Confident	87.7	Confident	29 Å²	29	59.5 Å²	59.5	30%	0.299	31%	0.308	S	S	.	.	S	Bend	trans	75.5	24	-174.9	0	0	0	0	0	113.6	K91 N94 P95	K91-G97 WeakPolarHBondContact CE-O 3.43Å; K91-G97 WeakPolarHBondContact CG-O 3.47Å; N94-G97 PolarHBondContact O-N 3.49Å; P95-G97 PolarHBondContact O-N 2.78Å
98	E	85.9	Confident	87.8	Confident	126 Å²	126	60.4 Å²	60.4	59%	0.589	31%	0.312	S	S	*	.	S	Bend	trans	-118.7	167	174.9	-69.8	-176.7	155.4	0	0	111.2	N94 I96	N94-E98 WeakPolarHBondContact CB-O 3.31Å; N94-E98 PolarHBondContact ND2-O 2.73Å; I96-E98 VanDerWaalsContact C-N 3.35Å; I96-E98 HydrophobicContact CG2-CB 4.37Å; I96-E98 HydrophobicContact CG2-CG 4.03Å
99	E	88.3	Confident	87.9	Confident	24 Å²	24	61.8 Å²	61.8	11%	0.112	32%	0.32	C	S	.	.			trans	-97.1	136.1	177.4	-57	-155.3	118.3	0	0	111.7	Y46 I72 A73 F74 F88 K91	Y46-E99 VanDerWaalsContact CE2-OE1 3.25Å; Y46-E99 WeakPolarHBondContact CE2-OE1 3.29Å; Y46-E99 VanDerWaalsContact CZ-OE1 3.29Å; Y46-E99 PolarHBondContact OH-OE1 3.44Å; I72-E99 VanDerWaalsContact CA-OE2 3.31Å; I72-E99 WeakPolarHBondContact CA-OE2 3.14Å; I72-E99 WeakPolarHBondContact CB-OE2 3.13Å; A73-E99 PolarHBondContact N-OE2 2.88Å; F74-E99 HydrophobicContact CD2-CB 4.48Å; F74-E99 WeakPolarHBondContact CE2-O 3.4Å; F88-E99 HydrophobicContact CE2-CB 4.29Å; K91-E99 HydrophobicContact CB-CG 3.95Å
100	V	87.7	Confident	87.9	Confident	62 Å²	62	61.6 Å²	61.6	38%	0.376	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	110.6	178.4	-174.4	0	0	0	0	109	F88 M89	F88-V100 CarbonylContact C-O 3.49Å; F88-V100 WeakPolarHBondContact CA-O 3.4Å; M89-V100 HydrophobicContact CB-CB 4.17Å; M89-V100 PolarHBondContact N-O 3.14Å; M89-V100 PolarHBondContact O-N 2.99Å
101	F	89.3	Confident	87.9	Confident	22 Å²	22	61.7 Å²	61.7	10%	0.096	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.9	173.5	-172.7	-99.8	0	0	0	111.9	F58 F74 I76 Y86 H87 F88 R103	F58-F101 HydrophobicContact CD1-CD2 4.37Å; F58-F101 AromaticContact CD1-CE2 3.51Å; F58-F101 HydrophobicContact CD1-CE2 3.51Å; F58-F101 HydrophobicContact CD1-CZ 4.16Å; F58-F101 AromaticContact CE1-CE2 3.67Å; F58-F101 HydrophobicContact CE1-CE2 3.67Å; F58-F101 AromaticContact CE1-CZ 3.83Å; F58-F101 HydrophobicContact CE1-CZ 3.83Å; F58-F101 HydrophobicContact CG-CE2 4.3Å; F74-F101 HydrophobicContact CB-CB 4.24Å; F74-F101 HydrophobicContact CD1-CB 3.77Å; F74-F101 HydrophobicContact CD1-CD1 4.26Å; F74-F101 HydrophobicContact CD1-CG 4.4Å; F74-F101 HydrophobicContact CD2-CB 3.75Å; F74-F101 HydrophobicContact CE1-CB 4Å; F74-F101 HydrophobicContact CE2-CB 3.98Å; F74-F101 HydrophobicContact CG-CB 3.63Å; F74-F101 HydrophobicContact CZ-CB 4.1Å; I76-F101 HydrophobicContact CB-CE1 4.46Å; I76-F101 HydrophobicContact CD1-CD1 3.69Å; I76-F101 HydrophobicContact CD1-CD2 3.76Å; I76-F101 HydrophobicContact CD1-CE1 3.58Å; I76-F101 HydrophobicContact CD1-CE2 3.68Å; I76-F101 HydrophobicContact CD1-CG 3.78Å; I76-F101 HydrophobicContact CD1-CZ 3.59Å; I76-F101 HydrophobicContact CG1-CD1 3.65Å; I76-F101 HydrophobicContact CG1-CE1 3.64Å; I76-F101 HydrophobicContact CG1-CG 4.16Å; I76-F101 HydrophobicContact CG1-CZ 4.16Å; I76-F101 HydrophobicContact CG2-CE1 4.05Å; I76-F101 HydrophobicContact CG2-CZ 4.3Å; Y86-F101 HydrophobicContact CD1-CE2 4.41Å; Y86-F101 HydrophobicContact CD2-CE2 4.09Å; Y86-F101 AromaticContact CG-CE2 3.81Å; Y86-F101 HydrophobicContact CG-CE2 3.81Å; Y86-F101 HydrophobicContact CG-CZ 4.22Å; H87-F101 CarbonylContact O-C 3.55Å; H87-F101 WeakPolarHBondContact O-CA 3.19Å; F88-F101 HydrophobicContact CB-CD2 3.99Å; F88-F101 HydrophobicContact CB-CE2 4.45Å; F88-F101 HydrophobicContact CD2-CB 4.37Å; F88-F101 HydrophobicContact CD2-CD2 4.04Å; F88-F101 HydrophobicContact CG-CD2 4.38Å; F101-R103 HydrophobicContact CE1-CG 3.7Å; F101-R103 HydrophobicContact CZ-CG 4.17Å
102	S	85.1	Confident	88.1	Confident	63 Å²	63	55.7 Å²	55.7	44%	0.441	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	119.4	176	176.7	0	0	0	0	109.8	Y86 H87	Y86-S102 CarbonylContact C-O 3.51Å; Y86-S102 VanDerWaalsContact CA-O 3.25Å; Y86-S102 WeakPolarHBondContact CA-O 3.35Å; Y86-S102 WeakPolarHBondContact CB-O 3.42Å; H87-S102 PolarHBondContact N-O 3.41Å; H87-S102 PolarHBondContact O-N 2.78Å
103	R	85.2	Confident	88.2	Confident	87 Å²	87	51 Å²	51	33%	0.328	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	143.6	167.1	-65.9	-165.2	-177.7	-148.4	0.8	109.2	I76 K78 F101	I76-R103 PolarHBondContact O-NH2 2.9Å; K78-R103 PolarHBondContact O-NH2 3.17Å; F101-R103 HydrophobicContact CE1-CG 3.7Å; F101-R103 HydrophobicContact CZ-CG 4.17Å
104	K	83.7	Confident	88.4	Confident	35 Å²	35	49.7 Å²	49.7	15%	0.152	27%	0.267	C	S	.	.			trans	-111.9	154.2	173	-65.5	169.7	179.4	161.5	0	109.2	A85 Y86 A106 F199	A85-K104 PolarHBondContact O-N 2.99Å; Y86-K104 WeakPolarHBondContact O-CD 3.43Å; Y86-K104 WeakPolarHBondContact O-CE 3.31Å; Y86-K104 PolarHBondContact O-NZ 3.15Å; K104-A106 PolarHBondContact O-N 3.2Å; K104-A106 VanDerWaalsContact O-N 3.12Å; K104-F199 HydrophobicContact CD-CD2 3.75Å; K104-F199 HydrophobicContact CD-CE2 3.56Å; K104-F199 HydrophobicContact CD-CG 4.43Å; K104-F199 HydrophobicContact CD-CZ 4.09Å; K104-F199 VanDerWaalsContact CE-CD2 3.49Å; K104-F199 VanDerWaalsContact CE-CE2 3.46Å; K104-F199 HydrophobicContact CG-CE2 4Å; K104-F199 HydrophobicContact CG-CZ 4.27Å
105	Q	84.8	Confident	88.8	Confident	97 Å²	97	48.9 Å²	48.9	45%	0.453	26%	0.263	S	S	.	.			trans	-65.8	112.5	171.5	-178.7	51.3	68.1	0	0	110	T147 T148	Q105-T147 PolarHBondContact NE2-OG1 2.9Å; Q105-T148 PolarHBondContact OE1-OG1 2.7Å
106	A	87	Confident	89.4	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.033	22%	0.224	C	C	.	.			trans	-65.5	149.8	172.5	0	0	0	0	0	111.2	A85 K104 V110 M111 L146	A85-A106 HydrophobicContact CB-CB 3.82Å; K104-A106 PolarHBondContact O-N 3.2Å; K104-A106 VanDerWaalsContact O-N 3.12Å; A106-V110 HydrophobicContact CB-CG1 4.24Å; A106-M111 HydrophobicContact CB-CG 3.91Å; A106-L146 WeakPolarHBondContact CB-O 3.48Å
107	N	90.2	Very high	89.7	Confident	69 Å²	69	36.9 Å²	36.9	37%	0.369	19%	0.193	S	C	.	.			trans	-106.6	169.1	165	73.5	-14.4	0	0	0	109.7	T109 V110 M111	N107-T109 PolarHBondContact ND2-OG1 3.37Å; N107-T109 PolarHBondContact O-N 3.48Å; N107-V110 PolarHBondContact O-N 3.26Å; N107-V110 VanDerWaalsContact O-N 3.07Å; N107-V110 WeakPolarHBondContact OD1-CB 3.44Å; N107-V110 WeakPolarHBondContact OD1-CG2 3.35Å; N107-V110 PolarHBondContact OD1-N 3.42Å; N107-M111 WeakPolarHBondContact O-CG 3.48Å; N107-M111 PolarHBondContact O-N 2.89Å
108	F	91.5	Very high	90.2	Very high	47 Å²	47	36.2 Å²	36.2	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-56.1	-36	-179	-64.8	-53	0	0	0	113	V110 M111 C112 W143 W157 N160 I161 T164	F108-V110 PolarHBondContact O-N 3.08Å; F108-M111 HydrophobicContact CD1-SD 4.09Å; F108-M111 PolarHBondContact O-N 3.11Å; F108-C112 WeakPolarHBondContact O-CB 3.42Å; F108-C112 PolarHBondContact O-N 3.24Å; F108-C112 PolarHBondContact O-SG 3.14Å; F108-W143 HydrophobicContact CE1-CH2 4.49Å; F108-W157 HydrophobicContact CZ-CB 4.29Å; F108-N160 HydrophobicContact CD2-CB 3.95Å; F108-N160 HydrophobicContact CE2-CB 3.61Å; F108-N160 HydrophobicContact CZ-CB 4.28Å; F108-I161 HydrophobicContact CB-CD1 4.12Å; F108-I161 HydrophobicContact CD1-CD1 3.5Å; F108-I161 VanDerWaalsContact CD1-CD1 3.5Å; F108-I161 HydrophobicContact CE1-CD1 4.14Å; F108-I161 HydrophobicContact CG-CD1 3.97Å; F108-T164 HydrophobicContact CB-CG2 4.05Å
109	T	92.3	Very high	90.5	Very high	29 Å²	29	30.6 Å²	30.6	18%	0.178	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-47.7	175.8	-41.1	0	0	0	0	111.8	N107 Q113 S168 V170 F171	N107-T109 PolarHBondContact ND2-OG1 3.37Å; N107-T109 PolarHBondContact O-N 3.48Å; T109-Q113 VanDerWaalsContact O-CB 3.29Å; T109-Q113 WeakPolarHBondContact O-CB 3.47Å; T109-Q113 PolarHBondContact O-N 3.09Å; T109-S168 WeakPolarHBondContact CG2-OG 3.07Å; T109-V170 HydrophobicContact CG2-CB 4.38Å; T109-V170 HydrophobicContact CG2-CG2 4.06Å; T109-F171 HydrophobicContact CG2-CE2 4.03Å; T109-F171 HydrophobicContact CG2-CZ 4.17Å
110	V	91.6	Very high	90.7	Very high	31 Å²	31	29.7 Å²	29.7	19%	0.188	15%	0.152	C	C	.	.	H	α-helix	trans	-68.8	-38.3	178.5	166.4	0	0	0	0	111.9	T84 A85 A106 N107 F108 Q113 T114	T84-V110 VanDerWaalsContact OG1-CG1 3.26Å; T84-V110 WeakPolarHBondContact OG1-CG1 3.39Å; A85-V110 HydrophobicContact CB-CG1 4.01Å; A106-V110 HydrophobicContact CB-CG1 4.24Å; N107-V110 PolarHBondContact O-N 3.26Å; N107-V110 VanDerWaalsContact O-N 3.07Å; N107-V110 WeakPolarHBondContact OD1-CB 3.44Å; N107-V110 WeakPolarHBondContact OD1-CG2 3.35Å; N107-V110 PolarHBondContact OD1-N 3.42Å; F108-V110 PolarHBondContact O-N 3.08Å; V110-Q113 PolarHBondContact O-N 3.06Å; V110-T114 WeakPolarHBondContact O-CB 3.45Å; V110-T114 PolarHBondContact O-N 2.87Å; V110-T114 PolarHBondContact O-OG1 3Å
111	M	92.9	Very high	90.8	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-50.4	176.7	-66	172.4	66.1	0	0	111	A106 N107 F108 Q113 T114 A115 L139 W143 L146 T147	A106-M111 HydrophobicContact CB-CG 3.91Å; N107-M111 WeakPolarHBondContact O-CG 3.48Å; N107-M111 PolarHBondContact O-N 2.89Å; F108-M111 HydrophobicContact CD1-SD 4.09Å; F108-M111 PolarHBondContact O-N 3.11Å; M111-Q113 PolarHBondContact O-N 3.29Å; M111-T114 PolarHBondContact O-N 2.88Å; M111-A115 VanDerWaalsContact O-CB 3.32Å; M111-A115 WeakPolarHBondContact O-CB 3.13Å; M111-A115 PolarHBondContact O-N 3.31Å; M111-L139 HydrophobicContact CB-CD2 4.09Å; M111-W143 HydrophobicContact CE-CD2 4.42Å; M111-W143 HydrophobicContact CE-CE3 4.11Å; M111-W143 HydrophobicContact CE-CH2 4.24Å; M111-W143 HydrophobicContact CE-CZ3 4.01Å; M111-L146 HydrophobicContact CE-CB 4.37Å; M111-L146 HydrophobicContact CG-CB 4.41Å; M111-T147 HydrophobicContact CE-CG2 3.57Å; M111-T147 HydrophobicContact SD-CG2 3.95Å
112	C	94.6	Very high	90.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-38.6	176.4	-66.1	0	0	0	0	112.5	F108 A115 L116 L165 F171	F108-C112 WeakPolarHBondContact O-CB 3.42Å; F108-C112 PolarHBondContact O-N 3.24Å; F108-C112 PolarHBondContact O-SG 3.14Å; C112-A115 PolarHBondContact O-N 3.36Å; C112-L116 WeakPolarHBondContact O-CB 3.31Å; C112-L116 WeakPolarHBondContact O-CG 3.48Å; C112-L116 PolarHBondContact O-N 2.96Å; C112-L165 HydrophobicContact CB-CD2 3.73Å; C112-F171 HydrophobicContact CB-CE1 4Å; C112-F171 HydrophobicContact CB-CE2 4.38Å; C112-F171 HydrophobicContact CB-CZ 3.61Å
113	Q	93.7	Very high	91	Very high	45 Å²	45	35 Å²	35	21%	0.21	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-45.8	176.2	-174.5	-179.6	12.1	0	0	111.9	T109 V110 M111 A117 V170 F171 L184	T109-Q113 VanDerWaalsContact O-CB 3.29Å; T109-Q113 WeakPolarHBondContact O-CB 3.47Å; T109-Q113 PolarHBondContact O-N 3.09Å; V110-Q113 PolarHBondContact O-N 3.06Å; M111-Q113 PolarHBondContact O-N 3.29Å; Q113-A117 WeakPolarHBondContact O-CB 3.49Å; Q113-A117 PolarHBondContact O-N 3.22Å; Q113-A117 VanDerWaalsContact O-N 3.11Å; Q113-V170 HydrophobicContact CB-CG1 4.47Å; Q113-V170 HydrophobicContact CG-CG1 4.34Å; Q113-F171 HydrophobicContact CB-CE1 4.4Å; Q113-L184 HydrophobicContact CB-CD2 4.49Å; Q113-L184 HydrophobicContact CG-CD2 4.07Å
114	T	93.7	Very high	91	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-42.3	177.5	-54	0	0	0	0	110.6	L80 F82 V110 M111 A117 N118 L146	L80-T114 HydrophobicContact CB-CG2 4.47Å; L80-T114 HydrophobicContact CD1-CG2 4.43Å; F82-T114 PolarHBondContact O-OG1 3.5Å; V110-T114 WeakPolarHBondContact O-CB 3.45Å; V110-T114 PolarHBondContact O-N 2.87Å; V110-T114 PolarHBondContact O-OG1 3Å; M111-T114 PolarHBondContact O-N 2.88Å; T114-A117 PolarHBondContact O-N 2.73Å; T114-N118 PolarHBondContact O-N 2.85Å; T114-N118 VanDerWaalsContact O-N 3.08Å; T114-N118 PolarHBondContact O-ND2 2.91Å; T114-L146 HydrophobicContact CG2-CD2 3.65Å
115	A	95	Very high	91	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-51	178.5	0	0	0	0	0	112.6	M111 C112 A117 N118 L119 L135 F138 L139	M111-A115 VanDerWaalsContact O-CB 3.32Å; M111-A115 WeakPolarHBondContact O-CB 3.13Å; M111-A115 PolarHBondContact O-N 3.31Å; C112-A115 PolarHBondContact O-N 3.36Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 3.14Å; A115-N118 PolarHBondContact O-N 3.44Å; A115-L119 WeakPolarHBondContact O-CB 3.37Å; A115-L119 WeakPolarHBondContact O-CG 3.39Å; A115-L119 PolarHBondContact O-N 3.19Å; A115-L135 HydrophobicContact CB-CD1 3.6Å; A115-F138 HydrophobicContact CB-CD1 3.49Å; A115-F138 VanDerWaalsContact CB-CD1 3.49Å; A115-F138 HydrophobicContact CB-CE1 3.9Å; A115-F138 HydrophobicContact CB-CG 4.37Å; A115-L139 HydrophobicContact CB-CD2 3.77Å; A115-L139 HydrophobicContact CB-CG 4.36Å
116	L	94.2	Very high	91.3	Very high	3 Å²	3	30 Å²	30	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-34.7	177.9	-71.3	170.3	0	0	0	112.4	C112 M120 F129 L135 F171 V182 L184	C112-L116 WeakPolarHBondContact O-CB 3.31Å; C112-L116 WeakPolarHBondContact O-CG 3.48Å; C112-L116 PolarHBondContact O-N 2.96Å; L116-M120 VanDerWaalsContact O-CB 3.32Å; L116-M120 WeakPolarHBondContact O-CB 3.48Å; L116-M120 PolarHBondContact O-N 3.27Å; L116-F129 HydrophobicContact CD2-CB 3.92Å; L116-F129 HydrophobicContact CD2-CD2 3.79Å; L116-F129 HydrophobicContact CD2-CG 4.09Å; L116-L135 HydrophobicContact CD2-CD1 4.15Å; L116-L135 HydrophobicContact CD2-CD2 4.37Å; L116-L135 HydrophobicContact CG-CD1 4.08Å; L116-F171 HydrophobicContact CD1-CD1 3.68Å; L116-F171 HydrophobicContact CD1-CE1 3.85Å; L116-V182 HydrophobicContact CD1-CG1 4.12Å; L116-L184 HydrophobicContact CB-CD1 4.39Å; L116-L184 HydrophobicContact CB-CD2 3.9Å; L116-L184 HydrophobicContact CB-CG 3.92Å; L116-L184 HydrophobicContact CD1-CD2 3.99Å; L116-L184 HydrophobicContact CD1-CG 4.45Å
117	A	93.3	Very high	91.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-43.7	175.3	0	0	0	0	0	112.7	F82 Q113 T114 A115 M120 L121 L184 L189 I192	F82-A117 HydrophobicContact CB-CB 3.7Å; F82-A117 HydrophobicContact CD1-CB 4.26Å; F82-A117 HydrophobicContact CD2-CB 3.57Å; F82-A117 HydrophobicContact CE2-CB 4.26Å; F82-A117 HydrophobicContact CG-CB 3.57Å; Q113-A117 WeakPolarHBondContact O-CB 3.49Å; Q113-A117 PolarHBondContact O-N 3.22Å; Q113-A117 VanDerWaalsContact O-N 3.11Å; T114-A117 PolarHBondContact O-N 2.73Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 3.14Å; A117-M120 PolarHBondContact O-N 2.95Å; A117-L121 PolarHBondContact O-N 3.33Å; A117-L121 VanDerWaalsContact O-N 3.08Å; A117-L184 HydrophobicContact CB-CD1 4.25Å; A117-L189 HydrophobicContact CB-CD2 3.81Å; A117-I192 HydrophobicContact CB-CD1 3.65Å
118	N	93.5	Very high	91.4	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.08	15%	0.15	C	C	.	.	H	α-helix	trans	-67.2	-39.2	175.2	-80.3	-86.5	0	0	0	112	P81 T114 A115 L121 K122 F138	P81-N118 WeakPolarHBondContact CD-OD1 3.34Å; P81-N118 PolarHBondContact O-ND2 3.11Å; T114-N118 PolarHBondContact O-N 2.85Å; T114-N118 VanDerWaalsContact O-N 3.08Å; T114-N118 PolarHBondContact O-ND2 2.91Å; A115-N118 PolarHBondContact O-N 3.44Å; N118-L121 PolarHBondContact O-N 2.95Å; N118-K122 VanDerWaalsContact O-CB 3.27Å; N118-K122 WeakPolarHBondContact O-CB 3.21Å; N118-K122 PolarHBondContact O-N 3.37Å; N118-F138 HydrophobicContact CB-CE1 4.24Å; N118-F138 HydrophobicContact CB-CE2 3.88Å; N118-F138 HydrophobicContact CB-CZ 3.43Å; N118-F138 VanDerWaalsContact CB-CZ 3.43Å
119	L	93.6	Very high	91.5	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-43.4	174.8	-77.5	171.2	0	0	0	111.7	A115 L121 K122 H123 F129 L135 F138	A115-L119 WeakPolarHBondContact O-CB 3.37Å; A115-L119 WeakPolarHBondContact O-CG 3.39Å; A115-L119 PolarHBondContact O-N 3.19Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.24Å; L119-K122 PolarHBondContact O-N 2.81Å; L119-H123 WeakPolarHBondContact O-CB 3.16Å; L119-H123 PolarHBondContact O-CD2 2.88Å; L119-H123 VanDerWaalsContact O-CD2 3.3Å; L119-H123 PolarHBondContact O-N 3.06Å; L119-F129 HydrophobicContact CB-CD1 3.7Å; L119-F129 HydrophobicContact CB-CD2 4.36Å; L119-F129 HydrophobicContact CB-CE1 3.52Å; L119-F129 HydrophobicContact CB-CE2 4.17Å; L119-F129 HydrophobicContact CB-CG 4.18Å; L119-F129 HydrophobicContact CB-CZ 3.78Å; L119-F129 HydrophobicContact CD1-CD1 4.01Å; L119-F129 HydrophobicContact CD1-CG 4.22Å; L119-F129 HydrophobicContact CD2-CD1 4.32Å; L119-F129 HydrophobicContact CD2-CE1 4.43Å; L119-F129 HydrophobicContact CG-CD1 4.24Å; L119-F129 HydrophobicContact CG-CE1 4.41Å; L119-F129 WeakPolarHBondContact O-CZ 3.32Å; L119-L135 HydrophobicContact CD1-CD1 4.26Å; L119-F138 HydrophobicContact CD1-CB 4.11Å; L119-F138 HydrophobicContact CD1-CG 4.33Å; L119-F138 HydrophobicContact CD2-CB 4.29Å; L119-F138 HydrophobicContact CD2-CD2 3.76Å; L119-F138 HydrophobicContact CD2-CG 4.28Å; L119-F138 HydrophobicContact CG-CB 4.31Å; L119-F138 HydrophobicContact CG-CD2 3.86Å; L119-F138 HydrophobicContact CG-CE2 4.47Å; L119-F138 HydrophobicContact CG-CG 4.1Å
120	M	91.5	Very high	91.5	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-38.7	174.9	-170.7	164.2	81.4	0	0	112.2	V35 L116 A117 G124 G125 R126 L127 F129 T187 L189	V35-M120 HydrophobicContact CG2-SD 4.19Å; L116-M120 VanDerWaalsContact O-CB 3.32Å; L116-M120 WeakPolarHBondContact O-CB 3.48Å; L116-M120 PolarHBondContact O-N 3.27Å; A117-M120 PolarHBondContact O-N 2.95Å; M120-G124 PolarHBondContact O-N 2.87Å; M120-G125 WeakPolarHBondContact O-CA 3.47Å; M120-G125 PolarHBondContact O-N 2.84Å; M120-R126 WeakPolarHBondContact CG-O 3.29Å; M120-L127 HydrophobicContact SD-CD2 3.52Å; M120-L127 VanDerWaalsContact SD-CD2 3.52Å; M120-F129 HydrophobicContact CB-CE2 4.22Å; M120-F129 HydrophobicContact CB-CZ 4.39Å; M120-T187 VanDerWaalsContact CE-O 3.27Å; M120-T187 WeakPolarHBondContact CE-O 3.44Å; M120-L189 HydrophobicContact CE-CD1 3.86Å; M120-L189 HydrophobicContact CE-CD2 3.57Å; M120-L189 HydrophobicContact CE-CG 3.47Å; M120-L189 VanDerWaalsContact CE-CG 3.47Å
121	L	89.5	Confident	91.5	Very high	50 Å²	50	26.5 Å²	26.5	26%	0.262	14%	0.136	S	C	.	.	H	α-helix	trans	-65.7	-49.8	172.4	-176.5	69.8	0	0	0	112.1	I37 F53 F82 A117 N118 L119 H123 G124	I37-L121 HydrophobicContact CD1-CD1 3.93Å; F53-L121 HydrophobicContact CB-CD1 4.03Å; F53-L121 HydrophobicContact CB-CD2 4.06Å; F53-L121 WeakPolarHBondContact O-CD2 3.48Å; F82-L121 HydrophobicContact CE2-CB 4.17Å; F82-L121 HydrophobicContact CE2-CD2 4Å; F82-L121 HydrophobicContact CZ-CD2 4.42Å; A117-L121 PolarHBondContact O-N 3.33Å; A117-L121 VanDerWaalsContact O-N 3.08Å; N118-L121 PolarHBondContact O-N 2.95Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 3.24Å; L121-H123 PolarHBondContact O-N 3.1Å; L121-G124 PolarHBondContact O-N 3.47Å; L121-G124 VanDerWaalsContact O-N 3.13Å
122	K	89.7	Confident	91.4	Very high	128 Å²	128	31.9 Å²	31.9	56%	0.557	16%	0.163	S	C	*	.	H	α-helix	trans	-60.2	-31.9	-179.1	-175.7	176.2	-177.9	176	0	112.8	N118 L119	N118-K122 VanDerWaalsContact O-CB 3.27Å; N118-K122 WeakPolarHBondContact O-CB 3.21Å; N118-K122 PolarHBondContact O-N 3.37Å; L119-K122 PolarHBondContact O-N 2.81Å
123	H	90.3	Very high	91.2	Very high	80 Å²	80	36.9 Å²	36.9	37%	0.37	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	29.4	178.3	-66	-95.3	0	0	0	113	L119 L121 G125 R126 F129	L119-H123 WeakPolarHBondContact O-CB 3.16Å; L119-H123 PolarHBondContact O-CD2 2.88Å; L119-H123 VanDerWaalsContact O-CD2 3.3Å; L119-H123 PolarHBondContact O-N 3.06Å; L121-H123 PolarHBondContact O-N 3.1Å; H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 PolarHBondContact O-N 3.17Å; H123-G125 VanDerWaalsContact O-N 3.13Å; H123-R126 HydrophobicContact CB-CB 4.04Å; H123-R126 PolarHBondContact O-N 3.14Å; H123-F129 HydrophobicContact CB-CE1 4.22Å; H123-F129 HydrophobicContact CB-CZ 4.33Å; H123-F129 AromaticContact CD2-CE1 3.87Å
124	G	84.8	Confident	91.2	Very high	55 Å²	55	36.7 Å²	36.7	57%	0.567	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	25	165.1	0	0	0	0	0	115.7	V34 M120 L121	V34-G124 WeakPolarHBondContact CG1-O 3.19Å; M120-G124 PolarHBondContact O-N 2.87Å; L121-G124 PolarHBondContact O-N 3.47Å; L121-G124 VanDerWaalsContact O-N 3.13Å
125	G	84	Confident	91.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.1	2.2	-179.1	0	0	0	0	0	115.8	V34 V35 M120 H123 L127	V34-G125 WeakPolarHBondContact CA-O 3.32Å; V35-G125 PolarHBondContact N-O 2.88Å; V35-G125 WeakPolarHBondContact O-CA 3.34Å; M120-G125 WeakPolarHBondContact O-CA 3.47Å; M120-G125 PolarHBondContact O-N 2.84Å; H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 PolarHBondContact O-N 3.17Å; H123-G125 VanDerWaalsContact O-N 3.13Å; G125-L127 PolarHBondContact O-N 2.69Å
126	R	90.7	Very high	91.1	Very high	60 Å²	60	36.8 Å²	36.8	23%	0.226	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-56.2	127.5	174.1	-170.1	-176.6	73.6	179	1.9	110.5	V34 M120 H123 Y128 F129 E134	V34-R126 HydrophobicContact CG2-CB 4.46Å; M120-R126 WeakPolarHBondContact CG-O 3.29Å; H123-R126 HydrophobicContact CB-CB 4.04Å; H123-R126 PolarHBondContact O-N 3.14Å; R126-Y128 PolarHBondContact NE-O 2.83Å; R126-Y128 VanDerWaalsContact NE-O 3.1Å; R126-F129 HydrophobicContact CB-CZ 4.4Å; R126-F129 WeakPolarHBondContact O-CE2 3.39Å; R126-F129 WeakPolarHBondContact O-CZ 3.28Å; R126-E134 IonicContact CZ-OE1 2.72Å; R126-E134 IonicContact CZ-OE2 2.95Å; R126-E134 IonicContact NH1-OE1 3.94Å; R126-E134 PolarHBondContact NH1-OE1 3.15Å; R126-E134 IonicContact NH2-OE1 3.06Å; R126-E134 PolarHBondContact NH2-OE1 3.12Å; R126-E134 IonicContact NH2-OE2 3.36Å; R126-E134 PolarHBondContact NH2-OE2 3.39Å
127	L	88.7	Confident	91	Very high	20 Å²	20	39.3 Å²	39.3	11%	0.105	20%	0.2	C	C	.	.			trans	-78.6	-45.6	-174.2	-67.9	-171.6	0	0	0	114.3	V33 V35 M120 G125 F129 C183 T187	V33-L127 HydrophobicContact CB-CD1 4.14Å; V33-L127 HydrophobicContact CG1-CD1 3.61Å; V33-L127 HydrophobicContact CG1-CG 4.16Å; V33-L127 PolarHBondContact O-N 2.82Å; V35-L127 HydrophobicContact CB-CD2 4.32Å; V35-L127 HydrophobicContact CG1-CD1 4.07Å; V35-L127 HydrophobicContact CG1-CD2 3.75Å; V35-L127 HydrophobicContact CG1-CG 4.09Å; V35-L127 HydrophobicContact CG2-CD2 3.64Å; M120-L127 HydrophobicContact SD-CD2 3.52Å; M120-L127 VanDerWaalsContact SD-CD2 3.52Å; G125-L127 PolarHBondContact O-N 2.69Å; L127-F129 WeakPolarHBondContact O-CD2 3.24Å; L127-F129 WeakPolarHBondContact O-CE2 3.45Å; L127-C183 HydrophobicContact CB-CB 4.28Å; L127-C183 WeakPolarHBondContact O-CB 3.41Å; L127-T187 HydrophobicContact CD1-CG2 4.06Å; L127-T187 HydrophobicContact CD2-CG2 3.51Å; L127-T187 HydrophobicContact CG-CG2 4.43Å
128	Y	90.4	Very high	91	Very high	28 Å²	28	39.8 Å²	39.8	11%	0.11	20%	0.202	C	C	.	.			trans	-95.9	143.6	-170.7	-67.6	-83.3	0	0	0	112.8	Q30 L31 R126 V174 C183	Q30-Y128 HydrophobicContact CG-CE2 4.42Å; Q30-Y128 WeakPolarHBondContact O-CE2 3.3Å; L31-Y128 HydrophobicContact CD2-CD1 4.26Å; L31-Y128 HydrophobicContact CD2-CD2 4.35Å; L31-Y128 HydrophobicContact CD2-CG 3.97Å; R126-Y128 PolarHBondContact NE-O 2.83Å; R126-Y128 VanDerWaalsContact NE-O 3.1Å; Y128-V174 HydrophobicContact CD1-CG2 4.5Å; Y128-V174 HydrophobicContact CE1-CG2 3.77Å; Y128-C183 HydrophobicContact CD1-CB 3.72Å; Y128-C183 HydrophobicContact CE1-CB 3.84Å; Y128-C183 WeakPolarHBondContact CE1-SG 3.42Å; Y128-C183 HydrophobicContact CG-CB 4.18Å
129	F	92.8	Very high	91	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.2	179.6	-63.3	-87.1	0	0	0	110.4	L116 L119 M120 H123 R126 L127 E134 C181 V182	L116-F129 HydrophobicContact CD2-CB 3.92Å; L116-F129 HydrophobicContact CD2-CD2 3.79Å; L116-F129 HydrophobicContact CD2-CG 4.09Å; L119-F129 HydrophobicContact CB-CD1 3.7Å; L119-F129 HydrophobicContact CB-CD2 4.36Å; L119-F129 HydrophobicContact CB-CE1 3.52Å; L119-F129 HydrophobicContact CB-CE2 4.17Å; L119-F129 HydrophobicContact CB-CG 4.18Å; L119-F129 HydrophobicContact CB-CZ 3.78Å; L119-F129 HydrophobicContact CD1-CD1 4.01Å; L119-F129 HydrophobicContact CD1-CG 4.22Å; L119-F129 HydrophobicContact CD2-CD1 4.32Å; L119-F129 HydrophobicContact CD2-CE1 4.43Å; L119-F129 HydrophobicContact CG-CD1 4.24Å; L119-F129 HydrophobicContact CG-CE1 4.41Å; L119-F129 WeakPolarHBondContact O-CZ 3.32Å; M120-F129 HydrophobicContact CB-CE2 4.22Å; M120-F129 HydrophobicContact CB-CZ 4.39Å; H123-F129 HydrophobicContact CB-CE1 4.22Å; H123-F129 HydrophobicContact CB-CZ 4.33Å; H123-F129 AromaticContact CD2-CE1 3.87Å; R126-F129 HydrophobicContact CB-CZ 4.4Å; R126-F129 WeakPolarHBondContact O-CE2 3.39Å; R126-F129 WeakPolarHBondContact O-CZ 3.28Å; L127-F129 WeakPolarHBondContact O-CD2 3.24Å; L127-F129 WeakPolarHBondContact O-CE2 3.45Å; F129-E134 VanDerWaalsContact CA-OE2 3.29Å; F129-E134 WeakPolarHBondContact CA-OE2 3.16Å; F129-E134 HydrophobicContact CB-CB 4.49Å; F129-C181 CarbonylContact O-C 3.6Å; F129-C181 WeakPolarHBondContact O-CA 3.14Å; F129-V182 PolarHBondContact N-O 3.25Å; F129-V182 PolarHBondContact O-N 3.44Å
130	M	92.4	Very high	90.8	Very high	47 Å²	47	41.3 Å²	41.3	23%	0.232	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	127.1	176.5	-80.2	175.2	-82.1	0	0	110.8	M132 K133 E134 L135 D178 C181	M130-M132 PolarHBondContact O-N 2.89Å; M130-K133 HydrophobicContact CB-CB 3.98Å; M130-K133 HydrophobicContact CB-CG 4.3Å; M130-K133 HydrophobicContact CE-CD 4.09Å; M130-K133 PolarHBondContact O-N 2.71Å; M130-K133 HydrophobicContact SD-CD 3.59Å; M130-K133 VanDerWaalsContact SD-CD 3.59Å; M130-K133 HydrophobicContact SD-CG 4.26Å; M130-K133 PolarHBondContact SD-NZ 2.91Å; M130-K133 VanDerWaalsContact SD-NZ 3.39Å; M130-E134 PolarHBondContact N-OE2 2.97Å; M130-E134 PolarHBondContact O-N 2.98Å; M130-L135 PolarHBondContact O-N 2.81Å; M130-L135 VanDerWaalsContact O-N 3.12Å; M130-D178 HydrophobicContact SD-CB 4.27Å; M130-C181 VanDerWaalsContact CG-SG 3.59Å
131	E	93	Very high	90.8	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.047	23%	0.232	C	C	.	.	I	π-helix	trans	-52.9	-56.2	-176.8	178.1	176.2	-157.9	0	0	111.6	I136 H162 L165 L180	E131-I136 HydrophobicContact CG-CD1 4Å; E131-I136 HydrophobicContact CG-CG1 4.45Å; E131-I136 WeakPolarHBondContact O-CB 3.45Å; E131-I136 WeakPolarHBondContact O-CG1 3.23Å; E131-I136 PolarHBondContact O-N 3.11Å; E131-H162 WeakPolarHBondContact OE1-CA 2.89Å; E131-H162 VanDerWaalsContact OE1-CB 3.28Å; E131-H162 WeakPolarHBondContact OE1-CB 3.05Å; E131-H162 IonicContact OE1-CG 2.73Å; E131-H162 PolarHBondContact OE1-N 2.93Å; E131-H162 VanDerWaalsContact OE1-N 3.13Å; E131-H162 IonicContact OE1-ND1 3.14Å; E131-H162 IonicContact OE2-CE1 3.34Å; E131-H162 IonicContact OE2-CG 3.82Å; E131-H162 IonicContact OE2-ND1 2.79Å; E131-H162 PolarHBondContact OE2-ND1 2.7Å; E131-L165 HydrophobicContact CG-CD1 4.1Å; E131-L180 HydrophobicContact CB-CB 4.19Å; E131-L180 PolarHBondContact N-O 2.98Å; E131-L180 WeakPolarHBondContact OE2-CD2 3.41Å
132	M	90.3	Very high	90.9	Very high	115 Å²	115	46.8 Å²	46.8	57%	0.567	23%	0.231	S	C	*	.	I	π-helix	trans	-78	-27.8	-174.2	-67	-64	-60.3	0	0	114	M130 I136 Y158	M130-M132 PolarHBondContact O-N 2.89Å; M132-I136 HydrophobicContact SD-CD1 3.63Å; M132-Y158 HydrophobicContact CE-CD2 4.01Å; M132-Y158 HydrophobicContact CE-CE2 4.06Å; M132-Y158 HydrophobicContact SD-CD2 4.25Å
133	K	91	Very high	90.9	Very high	105 Å²	105	41.4 Å²	41.4	46%	0.457	21%	0.207	S	C	.	.	I	π-helix	trans	-97.8	-21.9	-172.4	-54.3	-171.1	-160	162.8	0	114.1	M130 D178	M130-K133 HydrophobicContact CB-CB 3.98Å; M130-K133 HydrophobicContact CB-CG 4.3Å; M130-K133 HydrophobicContact CE-CD 4.09Å; M130-K133 PolarHBondContact O-N 2.71Å; M130-K133 HydrophobicContact SD-CD 3.59Å; M130-K133 VanDerWaalsContact SD-CD 3.59Å; M130-K133 HydrophobicContact SD-CG 4.26Å; M130-K133 PolarHBondContact SD-NZ 2.91Å; M130-K133 VanDerWaalsContact SD-NZ 3.39Å; K133-D178 IonicContact NZ-OD2 2.62Å; K133-D178 PolarHBondContact NZ-OD2 2.9Å
134	E	93.5	Very high	90.7	Very high	40 Å²	40	45.2 Å²	45.2	19%	0.187	23%	0.225	C	C	.	.	I	π-helix	trans	-135.5	-48	-170.2	-59.5	177.6	129	0	0	112.7	R126 F129 M130 F138	R126-E134 IonicContact CZ-OE1 2.72Å; R126-E134 IonicContact CZ-OE2 2.95Å; R126-E134 IonicContact NH1-OE1 3.94Å; R126-E134 PolarHBondContact NH1-OE1 3.15Å; R126-E134 IonicContact NH2-OE1 3.06Å; R126-E134 PolarHBondContact NH2-OE1 3.12Å; R126-E134 IonicContact NH2-OE2 3.36Å; R126-E134 PolarHBondContact NH2-OE2 3.39Å; F129-E134 VanDerWaalsContact CA-OE2 3.29Å; F129-E134 WeakPolarHBondContact CA-OE2 3.16Å; F129-E134 HydrophobicContact CB-CB 4.49Å; M130-E134 PolarHBondContact N-OE2 2.97Å; M130-E134 PolarHBondContact O-N 2.98Å; E134-F138 WeakPolarHBondContact O-CB 3.4Å; E134-F138 PolarHBondContact O-N 2.77Å
135	L	92.6	Very high	90.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-71.4	-49.7	-178.4	178.1	59.1	0	0	0	112.4	A115 L116 L119 M130 F138 L139 L165	A115-L135 HydrophobicContact CB-CD1 3.6Å; L116-L135 HydrophobicContact CD2-CD1 4.15Å; L116-L135 HydrophobicContact CD2-CD2 4.37Å; L116-L135 HydrophobicContact CG-CD1 4.08Å; L119-L135 HydrophobicContact CD1-CD1 4.26Å; M130-L135 PolarHBondContact O-N 2.81Å; M130-L135 VanDerWaalsContact O-N 3.12Å; L135-F138 PolarHBondContact O-N 3.43Å; L135-L139 HydrophobicContact CD1-CD1 4.34Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.22Å; L135-L139 WeakPolarHBondContact O-CG 3.33Å; L135-L139 PolarHBondContact O-N 3.17Å; L135-L165 HydrophobicContact CD2-CD1 3.52Å; L135-L165 HydrophobicContact CD2-CD2 4.15Å; L135-L165 HydrophobicContact CD2-CG 4.47Å
136	I	92.8	Very high	90.9	Very high	3 Å²	3	44 Å²	44	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-47.7	178.8	-77.5	170.4	0	0	0	111.6	E131 M132 F138 L139 E140 W157 Y158	E131-I136 HydrophobicContact CG-CD1 4Å; E131-I136 HydrophobicContact CG-CG1 4.45Å; E131-I136 WeakPolarHBondContact O-CB 3.45Å; E131-I136 WeakPolarHBondContact O-CG1 3.23Å; E131-I136 PolarHBondContact O-N 3.11Å; M132-I136 HydrophobicContact SD-CD1 3.63Å; I136-F138 VanDerWaalsContact C-N 3.31Å; I136-F138 PolarHBondContact O-N 3.38Å; I136-L139 WeakPolarHBondContact O-CB 3.3Å; I136-L139 PolarHBondContact O-N 3.11Å; I136-E140 HydrophobicContact CG2-CG 4.48Å; I136-E140 WeakPolarHBondContact O-CG 3.45Å; I136-E140 PolarHBondContact O-N 2.7Å; I136-W157 HydrophobicContact CG2-CH2 4.26Å; I136-Y158 HydrophobicContact CD1-CD1 4.25Å; I136-Y158 HydrophobicContact CD1-CD2 3.93Å; I136-Y158 HydrophobicContact CD1-CE2 4.33Å; I136-Y158 HydrophobicContact CD1-CG 3.89Å; I136-Y158 HydrophobicContact CG2-CD1 4.28Å; I136-Y158 HydrophobicContact CG2-CE1 3.68Å; I136-Y158 HydrophobicContact CG2-CE2 3.95Å; I136-Y158 VanDerWaalsContact CG2-CZ 3.48Å
137	P	92.9	Very high	90.6	Very high	55 Å²	55	41.5 Å²	41.5	36%	0.357	20%	0.196	S	C	.	.	H	α-helix	trans	-55	-40.4	172.9	-30.8	38.5	0	0	0	114.1	E140 E141	P137-E140 PolarHBondContact O-N 2.95Å; P137-E141 WeakPolarHBondContact O-CB 3.31Å; P137-E141 PolarHBondContact O-N 3.28Å
138	F	93.7	Very high	90.2	Very high	10 Å²	10	44.6 Å²	44.6	4%	0.044	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-41.5	174.5	-171.4	-77.8	0	0	0	112.2	L80 A115 N118 L119 E134 L135 I136 E140 E141 Y142	L80-F138 HydrophobicContact CD1-CE1 3.85Å; L80-F138 HydrophobicContact CD1-CZ 3.94Å; L80-F138 HydrophobicContact CD2-CZ 4.47Å; A115-F138 HydrophobicContact CB-CD1 3.49Å; A115-F138 VanDerWaalsContact CB-CD1 3.49Å; A115-F138 HydrophobicContact CB-CE1 3.9Å; A115-F138 HydrophobicContact CB-CG 4.37Å; N118-F138 HydrophobicContact CB-CE1 4.24Å; N118-F138 HydrophobicContact CB-CE2 3.88Å; N118-F138 HydrophobicContact CB-CZ 3.43Å; N118-F138 VanDerWaalsContact CB-CZ 3.43Å; L119-F138 HydrophobicContact CD1-CB 4.11Å; L119-F138 HydrophobicContact CD1-CG 4.33Å; L119-F138 HydrophobicContact CD2-CB 4.29Å; L119-F138 HydrophobicContact CD2-CD2 3.76Å; L119-F138 HydrophobicContact CD2-CG 4.28Å; L119-F138 HydrophobicContact CG-CB 4.31Å; L119-F138 HydrophobicContact CG-CD2 3.86Å; L119-F138 HydrophobicContact CG-CE2 4.47Å; L119-F138 HydrophobicContact CG-CG 4.1Å; E134-F138 WeakPolarHBondContact O-CB 3.4Å; E134-F138 PolarHBondContact O-N 2.77Å; L135-F138 PolarHBondContact O-N 3.43Å; I136-F138 VanDerWaalsContact C-N 3.31Å; I136-F138 PolarHBondContact O-N 3.38Å; F138-E140 PolarHBondContact O-N 3.15Å; F138-E141 PolarHBondContact O-N 3.28Å; F138-Y142 HydrophobicContact CD1-CD2 4.02Å; F138-Y142 HydrophobicContact CD2-CD2 4Å; F138-Y142 HydrophobicContact CD2-CE2 4.03Å; F138-Y142 AromaticContact CE1-CD2 3.73Å; F138-Y142 HydrophobicContact CE1-CD2 3.73Å; F138-Y142 HydrophobicContact CE1-CG 4.27Å; F138-Y142 AromaticContact CE2-CD2 3.72Å; F138-Y142 HydrophobicContact CE2-CD2 3.72Å; F138-Y142 AromaticContact CE2-CE2 3.69Å; F138-Y142 HydrophobicContact CE2-CE2 3.69Å; F138-Y142 HydrophobicContact CG-CD2 4.14Å; F138-Y142 AromaticContact CZ-CD2 3.56Å; F138-Y142 HydrophobicContact CZ-CD2 3.56Å; F138-Y142 AromaticContact CZ-CE2 3.94Å; F138-Y142 HydrophobicContact CZ-CE2 3.94Å; F138-Y142 HydrophobicContact CZ-CG 4.23Å; F138-Y142 PolarHBondContact O-N 2.94Å; F138-Y142 VanDerWaalsContact O-N 3.12Å
139	L	92.5	Very high	89.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-28.8	175.3	-66.5	173.4	0	0	0	112.3	M111 A115 L135 I136 W143 L146 W157 I161	M111-L139 HydrophobicContact CB-CD2 4.09Å; A115-L139 HydrophobicContact CB-CD2 3.77Å; A115-L139 HydrophobicContact CB-CG 4.36Å; L135-L139 HydrophobicContact CD1-CD1 4.34Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.22Å; L135-L139 WeakPolarHBondContact O-CG 3.33Å; L135-L139 PolarHBondContact O-N 3.17Å; I136-L139 WeakPolarHBondContact O-CB 3.3Å; I136-L139 PolarHBondContact O-N 3.11Å; L139-W143 PolarHBondContact O-N 3.37Å; L139-L146 HydrophobicContact CD2-CD1 3.71Å; L139-W157 HydrophobicContact CB-CH2 4.02Å; L139-W157 HydrophobicContact CB-CZ3 4.07Å; L139-W157 HydrophobicContact CD1-CZ3 4.08Å; L139-I161 HydrophobicContact CD1-CD1 3.83Å; L139-I161 HydrophobicContact CD1-CG1 4.26Å; L139-I161 HydrophobicContact CD1-CG2 4.37Å
140	E	90.2	Very high	89	Confident	55 Å²	55	52.3 Å²	52.3	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-79.3	-33.7	174.8	-69.3	-149.6	111.3	0	0	113.8	I136 P137 F138 R151 W157	I136-E140 HydrophobicContact CG2-CG 4.48Å; I136-E140 WeakPolarHBondContact O-CG 3.45Å; I136-E140 PolarHBondContact O-N 2.7Å; P137-E140 PolarHBondContact O-N 2.95Å; F138-E140 PolarHBondContact O-N 3.15Å; E140-R151 PolarHBondContact O-NH1 3.5Å; E140-R151 IonicContact OE1-CZ 3.93Å; E140-R151 IonicContact OE1-NE 3.06Å; E140-R151 IonicContact OE1-NH2 3.82Å; E140-R151 PolarHBondContact OE1-NH2 3.26Å; E140-R151 IonicContact OE2-NH2 3.26Å; E140-W157 HydrophobicContact CG-CH2 3.79Å; E140-W157 HydrophobicContact CG-CZ2 3.68Å
141	E	91.1	Very high	88.3	Confident	108 Å²	108	56 Å²	56	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-70	-43.8	178.6	-169.1	-176.6	160.7	0	0	111.4	P137 F138	P137-E141 WeakPolarHBondContact O-CB 3.31Å; P137-E141 PolarHBondContact O-N 3.28Å; F138-E141 PolarHBondContact O-N 3.28Å
142	Y	91.5	Very high	87.3	Confident	62 Å²	62	63.2 Å²	63.2	24%	0.243	30%	0.302	C	S	.	.	S	Bend	trans	-111.9	28.8	-173.2	-61.5	-80	0	0	0	114.6	L80 F138 E144 E145 L146	L80-Y142 HydrophobicContact CD1-CD1 4.34Å; L80-Y142 HydrophobicContact CD1-CG 4.03Å; L80-Y142 HydrophobicContact CD2-CD1 3.73Å; L80-Y142 HydrophobicContact CD2-CE1 4.05Å; L80-Y142 HydrophobicContact CD2-CG 4.15Å; L80-Y142 HydrophobicContact CG-CD1 4.29Å; L80-Y142 HydrophobicContact CG-CG 4.48Å; F138-Y142 HydrophobicContact CD1-CD2 4.02Å; F138-Y142 HydrophobicContact CD2-CD2 4Å; F138-Y142 HydrophobicContact CD2-CE2 4.03Å; F138-Y142 AromaticContact CE1-CD2 3.73Å; F138-Y142 HydrophobicContact CE1-CD2 3.73Å; F138-Y142 HydrophobicContact CE1-CG 4.27Å; F138-Y142 AromaticContact CE2-CD2 3.72Å; F138-Y142 HydrophobicContact CE2-CD2 3.72Å; F138-Y142 AromaticContact CE2-CE2 3.69Å; F138-Y142 HydrophobicContact CE2-CE2 3.69Å; F138-Y142 HydrophobicContact CG-CD2 4.14Å; F138-Y142 AromaticContact CZ-CD2 3.56Å; F138-Y142 HydrophobicContact CZ-CD2 3.56Å; F138-Y142 AromaticContact CZ-CE2 3.94Å; F138-Y142 HydrophobicContact CZ-CE2 3.94Å; F138-Y142 HydrophobicContact CZ-CG 4.23Å; F138-Y142 PolarHBondContact O-N 2.94Å; F138-Y142 VanDerWaalsContact O-N 3.12Å; Y142-E144 VanDerWaalsContact C-N 3.31Å; Y142-E144 PolarHBondContact O-N 3.36Å; Y142-E145 PolarHBondContact O-N 2.9Å; Y142-L146 VanDerWaalsContact O-CB 3.31Å; Y142-L146 WeakPolarHBondContact O-CB 3.39Å; Y142-L146 WeakPolarHBondContact O-CD1 3.43Å; Y142-L146 WeakPolarHBondContact O-CG 3.07Å; Y142-L146 PolarHBondContact O-N 3.46Å
143	W	89.5	Confident	86.4	Confident	14 Å²	14	64 Å²	64	5%	0.053	32%	0.318	C	S	.	.	H	α-helix	trans	-57.3	-41.7	-173.9	-173.5	-79	0	0	0	112.9	F108 M111 L139 L146 T147 Q149 R151 W157	F108-W143 HydrophobicContact CE1-CH2 4.49Å; M111-W143 HydrophobicContact CE-CD2 4.42Å; M111-W143 HydrophobicContact CE-CE3 4.11Å; M111-W143 HydrophobicContact CE-CH2 4.24Å; M111-W143 HydrophobicContact CE-CZ3 4.01Å; L139-W143 PolarHBondContact O-N 3.37Å; W143-L146 PolarHBondContact O-N 3.4Å; W143-T147 HydrophobicContact CD2-CG2 4.12Å; W143-T147 HydrophobicContact CG-CG2 4.23Å; W143-T147 HydrophobicContact CZ2-CG2 4.1Å; W143-T147 VanDerWaalsContact O-CG2 3.31Å; W143-T147 WeakPolarHBondContact O-CG2 3.18Å; W143-T147 PolarHBondContact O-N 3.09Å; W143-Q149 PolarHBondContact NE1-O 2.95Å; W143-R151 HydrophobicContact CD2-CB 4.23Å; W143-R151 HydrophobicContact CD2-CG 4.16Å; W143-R151 HydrophobicContact CG-CB 4.05Å; W143-R151 HydrophobicContact CG-CG 4.23Å; W143-W157 HydrophobicContact CE3-CH2 4.37Å; W143-W157 HydrophobicContact CE3-CZ2 4.31Å; W143-W157 HydrophobicContact CH2-CD2 4.12Å; W143-W157 HydrophobicContact CH2-CE3 4.38Å; W143-W157 HydrophobicContact CH2-CG 4.33Å; W143-W157 AromaticContact CZ3-CD2 3.77Å; W143-W157 HydrophobicContact CZ3-CD2 3.77Å; W143-W157 AromaticContact CZ3-CE2 3.78Å; W143-W157 AromaticContact CZ3-CE3 3.82Å; W143-W157 HydrophobicContact CZ3-CE3 3.82Å; W143-W157 HydrophobicContact CZ3-CG 4.44Å; W143-W157 AromaticContact CZ3-CH2 3.94Å; W143-W157 HydrophobicContact CZ3-CH2 3.94Å; W143-W157 AromaticContact CZ3-CZ2 3.87Å; W143-W157 HydrophobicContact CZ3-CZ2 3.87Å; W143-W157 AromaticContact CZ3-CZ3 3.91Å; W143-W157 HydrophobicContact CZ3-CZ3 3.91Å
144	E	86	Confident	85.9	Confident	160 Å²	160	63 Å²	63	75%	0.748	32%	0.318	S	S	*	.	H	α-helix	trans	-75.3	-31.4	-176.4	-58.7	-171.5	169.8	0	0	112.9	Y142	Y142-E144 VanDerWaalsContact C-N 3.31Å; Y142-E144 PolarHBondContact O-N 3.36Å
145	E	87.4	Confident	85.4	Confident	25 Å²	25	65.7 Å²	65.7	12%	0.117	33%	0.333	C	S	.	.	H	α-helix	trans	-72.7	-34.6	171.5	-67.8	80	-179	0	0	112.2	K78 L80 Y142	K78-E145 HydrophobicContact CB-CG 3.89Å; K78-E145 WeakPolarHBondContact CD-OE1 3.17Å; K78-E145 IonicContact NZ-OE1 3.23Å; L80-E145 HydrophobicContact CG-CB 4.18Å; Y142-E145 PolarHBondContact O-N 2.9Å
146	L	86.3	Confident	84.9	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-80	-33.7	-178.5	-73.3	168.9	0	0	0	114	L80 A106 M111 T114 L139 Y142 W143	L80-L146 HydrophobicContact CD1-CD2 3.86Å; L80-L146 HydrophobicContact CD1-CG 4.05Å; A106-L146 WeakPolarHBondContact CB-O 3.48Å; M111-L146 HydrophobicContact CE-CB 4.37Å; M111-L146 HydrophobicContact CG-CB 4.41Å; T114-L146 HydrophobicContact CG2-CD2 3.65Å; L139-L146 HydrophobicContact CD2-CD1 3.71Å; Y142-L146 VanDerWaalsContact O-CB 3.31Å; Y142-L146 WeakPolarHBondContact O-CB 3.39Å; Y142-L146 WeakPolarHBondContact O-CD1 3.43Å; Y142-L146 WeakPolarHBondContact O-CG 3.07Å; Y142-L146 PolarHBondContact O-N 3.46Å; W143-L146 PolarHBondContact O-N 3.4Å
147	T	84.8	Confident	84.5	Confident	8 Å²	8	68.4 Å²	68.4	5%	0.049	35%	0.352	C	S	.	.			trans	-152.4	144.4	-172	-172.8	0	0	0	0	114.4	Q105 M111 W143 Q149	Q105-T147 PolarHBondContact NE2-OG1 2.9Å; M111-T147 HydrophobicContact CE-CG2 3.57Å; M111-T147 HydrophobicContact SD-CG2 3.95Å; W143-T147 HydrophobicContact CD2-CG2 4.12Å; W143-T147 HydrophobicContact CG-CG2 4.23Å; W143-T147 HydrophobicContact CZ2-CG2 4.1Å; W143-T147 VanDerWaalsContact O-CG2 3.31Å; W143-T147 WeakPolarHBondContact O-CG2 3.18Å; W143-T147 PolarHBondContact O-N 3.09Å; T147-Q149 HydrophobicContact CG2-CB 4.3Å; T147-Q149 PolarHBondContact O-N 3.26Å; T147-Q149 PolarHBondContact OG1-N 3.26Å
148	T	80	Confident	84.4	Confident	85 Å²	85	67.6 Å²	67.6	52%	0.521	34%	0.342	S	S	.	.	S	Bend	trans	-80.8	3.5	171	44.4	0	0	0	0	113.9	Q105	Q105-T148 PolarHBondContact OE1-OG1 2.7Å
149	Q	79	Confident	84.3	Confident	76 Å²	76	71.2 Å²	71.2	36%	0.355	37%	0.367	S	S	.	.	S	Bend	trans	-78.4	135	173.9	-92.7	172.6	79.5	0	0	110.8	W143 T147 R151	W143-Q149 PolarHBondContact NE1-O 2.95Å; T147-Q149 HydrophobicContact CG2-CB 4.3Å; T147-Q149 PolarHBondContact O-N 3.26Å; T147-Q149 PolarHBondContact OG1-N 3.26Å; Q149-R151 PolarHBondContact O-N 3.24Å
150	P	78.2	Confident	84.2	Confident	116 Å²	116	75 Å²	75	75%	0.753	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-61	131.6	173.8	26.3	-34.1	0	0	0	110.4	R152	P150-R152 PolarHBondContact O-N 3.49Å
151	R	77.8	Confident	84.3	Confident	125 Å²	125	72.3 Å²	72.3	47%	0.472	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-60.3	128.2	177.9	-175.5	172.8	173.4	177.1	-3.4	109.6	E140 W143 Q149	E140-R151 PolarHBondContact O-NH1 3.5Å; E140-R151 IonicContact OE1-CZ 3.93Å; E140-R151 IonicContact OE1-NE 3.06Å; E140-R151 IonicContact OE1-NH2 3.82Å; E140-R151 PolarHBondContact OE1-NH2 3.26Å; E140-R151 IonicContact OE2-NH2 3.26Å; W143-R151 HydrophobicContact CD2-CB 4.23Å; W143-R151 HydrophobicContact CD2-CG 4.16Å; W143-R151 HydrophobicContact CG-CB 4.05Å; W143-R151 HydrophobicContact CG-CG 4.23Å; Q149-R151 PolarHBondContact O-N 3.24Å
152	R	71.6	Confident	84.4	Confident	161 Å²	161	71 Å²	71	61%	0.608	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-78.7	129.5	170.3	-65.7	-177.8	179.5	-119.3	-4.1	108.3	P150 N154	P150-R152 PolarHBondContact O-N 3.49Å; R152-N154 PolarHBondContact O-N 2.67Å; R152-N154 VanDerWaalsContact O-N 3.11Å
153	S	72.8	Confident	84.4	Confident	130 Å²	130	74.7 Å²	74.7	91%	0.909	39%	0.385	S	S	*	.	S	Bend	trans	-72.6	6.1	178.1	52.5	0	0	0	0	114.3
154	N	79.9	Confident	84.6	Confident	86 Å²	86	75.1 Å²	75.1	46%	0.46	39%	0.389	S	S	.	.	S	Bend	trans	-126.5	151	176.5	66.9	1.4	0	0	0	111.3	R152 S156 W157	R152-N154 PolarHBondContact O-N 2.67Å; R152-N154 VanDerWaalsContact O-N 3.11Å; N154-S156 PolarHBondContact O-N 3.18Å; N154-S156 WeakPolarHBondContact OD1-CB 3.48Å; N154-S156 PolarHBondContact OD1-OG 3.26Å; N154-W157 VanDerWaalsContact O-CD1 3.25Å
155	N	82.7	Confident	84.9	Confident	95 Å²	95	67.6 Å²	67.6	51%	0.508	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-73.3	18.4	-175.3	-54.2	15.2	0	0	0	113	W157 Y158	N155-W157 PolarHBondContact O-N 3.3Å; N155-Y158 HydrophobicContact CB-CD1 4.05Å; N155-Y158 HydrophobicContact CB-CD2 4.03Å; N155-Y158 HydrophobicContact CB-CE1 3.9Å; N155-Y158 HydrophobicContact CB-CE2 3.92Å; N155-Y158 HydrophobicContact CB-CG 4.1Å; N155-Y158 WeakPolarHBondContact ND2-CE2 3.21Å; N155-Y158 PolarHBondContact ND2-OH 2.93Å; N155-Y158 PolarHBondContact O-N 3.27Å
156	S	81.4	Confident	85	Confident	55 Å²	55	69.7 Å²	69.7	39%	0.385	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-62.8	-11.5	-178	65	0	0	0	0	114.2	N154 N160	N154-S156 PolarHBondContact O-N 3.18Å; N154-S156 WeakPolarHBondContact OD1-CB 3.48Å; N154-S156 PolarHBondContact OD1-OG 3.26Å; S156-N160 PolarHBondContact O-ND2 3.49Å
157	W	85.6	Confident	85.2	Confident	6 Å²	6	73.7 Å²	73.7	2%	0.023	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-92.4	-16.9	176.6	57.9	-83.7	0	0	0	113.7	F108 I136 L139 E140 W143 N154 N155 N160 I161	F108-W157 HydrophobicContact CZ-CB 4.29Å; I136-W157 HydrophobicContact CG2-CH2 4.26Å; L139-W157 HydrophobicContact CB-CH2 4.02Å; L139-W157 HydrophobicContact CB-CZ3 4.07Å; L139-W157 HydrophobicContact CD1-CZ3 4.08Å; E140-W157 HydrophobicContact CG-CH2 3.79Å; E140-W157 HydrophobicContact CG-CZ2 3.68Å; W143-W157 HydrophobicContact CE3-CH2 4.37Å; W143-W157 HydrophobicContact CE3-CZ2 4.31Å; W143-W157 HydrophobicContact CH2-CD2 4.12Å; W143-W157 HydrophobicContact CH2-CE3 4.38Å; W143-W157 HydrophobicContact CH2-CG 4.33Å; W143-W157 AromaticContact CZ3-CD2 3.77Å; W143-W157 HydrophobicContact CZ3-CD2 3.77Å; W143-W157 AromaticContact CZ3-CE2 3.78Å; W143-W157 AromaticContact CZ3-CE3 3.82Å; W143-W157 HydrophobicContact CZ3-CE3 3.82Å; W143-W157 HydrophobicContact CZ3-CG 4.44Å; W143-W157 AromaticContact CZ3-CH2 3.94Å; W143-W157 HydrophobicContact CZ3-CH2 3.94Å; W143-W157 AromaticContact CZ3-CZ2 3.87Å; W143-W157 HydrophobicContact CZ3-CZ2 3.87Å; W143-W157 AromaticContact CZ3-CZ3 3.91Å; W143-W157 HydrophobicContact CZ3-CZ3 3.91Å; N154-W157 VanDerWaalsContact O-CD1 3.25Å; N155-W157 PolarHBondContact O-N 3.3Å; W157-N160 WeakPolarHBondContact O-CA 3.13Å; W157-N160 WeakPolarHBondContact O-CB 3.38Å; W157-N160 PolarHBondContact O-N 2.97Å; W157-I161 HydrophobicContact CE3-CD1 4.03Å; W157-I161 HydrophobicContact CE3-CG1 3.55Å; W157-I161 HydrophobicContact CZ3-CD1 4.2Å; W157-I161 HydrophobicContact CZ3-CG1 3.79Å; W157-I161 PolarHBondContact O-N 2.79Å
158	Y	90.7	Very high	85.4	Confident	37 Å²	37	74.4 Å²	74.4	15%	0.145	40%	0.402	C	S	.	.	H	α-helix	trans	-57.4	-43.8	179.2	-64.5	11.7	0	0	0	112.1	M132 I136 N155 N160 I161 H162	M132-Y158 HydrophobicContact CE-CD2 4.01Å; M132-Y158 HydrophobicContact CE-CE2 4.06Å; M132-Y158 HydrophobicContact SD-CD2 4.25Å; I136-Y158 HydrophobicContact CD1-CD1 4.25Å; I136-Y158 HydrophobicContact CD1-CD2 3.93Å; I136-Y158 HydrophobicContact CD1-CE2 4.33Å; I136-Y158 HydrophobicContact CD1-CG 3.89Å; I136-Y158 HydrophobicContact CG2-CD1 4.28Å; I136-Y158 HydrophobicContact CG2-CE1 3.68Å; I136-Y158 HydrophobicContact CG2-CE2 3.95Å; I136-Y158 VanDerWaalsContact CG2-CZ 3.48Å; N155-Y158 HydrophobicContact CB-CD1 4.05Å; N155-Y158 HydrophobicContact CB-CD2 4.03Å; N155-Y158 HydrophobicContact CB-CE1 3.9Å; N155-Y158 HydrophobicContact CB-CE2 3.92Å; N155-Y158 HydrophobicContact CB-CG 4.1Å; N155-Y158 WeakPolarHBondContact ND2-CE2 3.21Å; N155-Y158 PolarHBondContact ND2-OH 2.93Å; N155-Y158 PolarHBondContact O-N 3.27Å; Y158-N160 PolarHBondContact O-N 3.37Å; Y158-I161 WeakPolarHBondContact O-CB 3.46Å; Y158-I161 PolarHBondContact O-N 3.42Å; Y158-H162 PolarHBondContact O-N 2.78Å
159	P	90.7	Very high	85.9	Confident	87 Å²	87	77.1 Å²	77.1	57%	0.565	41%	0.414	S	S	*	.	H	α-helix	trans	-64.2	-24.7	176.4	-22.2	35.1	0	0	0	113.7	K163	P159-K163 WeakPolarHBondContact O-CB 3.25Å; P159-K163 PolarHBondContact O-N 3.21Å; P159-K163 VanDerWaalsContact O-N 3.08Å
160	N	91.2	Very high	86.3	Confident	78 Å²	78	75.5 Å²	75.5	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-78.2	-31.5	175	-64.1	-58.2	0	0	0	111.8	F108 S156 W157 Y158 T164	F108-N160 HydrophobicContact CD2-CB 3.95Å; F108-N160 HydrophobicContact CE2-CB 3.61Å; F108-N160 HydrophobicContact CZ-CB 4.28Å; S156-N160 PolarHBondContact O-ND2 3.49Å; W157-N160 WeakPolarHBondContact O-CA 3.13Å; W157-N160 WeakPolarHBondContact O-CB 3.38Å; W157-N160 PolarHBondContact O-N 2.97Å; Y158-N160 PolarHBondContact O-N 3.37Å; N160-T164 VanDerWaalsContact O-CB 3.28Å; N160-T164 WeakPolarHBondContact O-CB 3.39Å; N160-T164 PolarHBondContact O-N 2.99Å; N160-T164 PolarHBondContact O-OG1 3.43Å
161	I	92.2	Very high	87	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-64.3	-57.6	169	-60.9	-61.8	0	0	0	109.1	F108 L139 W157 Y158 K163 T164 L165	F108-I161 HydrophobicContact CB-CD1 4.12Å; F108-I161 HydrophobicContact CD1-CD1 3.5Å; F108-I161 VanDerWaalsContact CD1-CD1 3.5Å; F108-I161 HydrophobicContact CE1-CD1 4.14Å; F108-I161 HydrophobicContact CG-CD1 3.97Å; L139-I161 HydrophobicContact CD1-CD1 3.83Å; L139-I161 HydrophobicContact CD1-CG1 4.26Å; L139-I161 HydrophobicContact CD1-CG2 4.37Å; W157-I161 HydrophobicContact CE3-CD1 4.03Å; W157-I161 HydrophobicContact CE3-CG1 3.55Å; W157-I161 HydrophobicContact CZ3-CD1 4.2Å; W157-I161 HydrophobicContact CZ3-CG1 3.79Å; W157-I161 PolarHBondContact O-N 2.79Å; Y158-I161 WeakPolarHBondContact O-CB 3.46Å; Y158-I161 PolarHBondContact O-N 3.42Å; I161-K163 VanDerWaalsContact C-N 3.29Å; I161-K163 PolarHBondContact O-N 3.44Å; I161-T164 CarbonylContact O-C 3.51Å; I161-T164 WeakPolarHBondContact O-CA 3.29Å; I161-T164 WeakPolarHBondContact O-CB 3.31Å; I161-T164 PolarHBondContact O-N 3.21Å; I161-L165 HydrophobicContact CG2-CD1 3.76Å; I161-L165 HydrophobicContact CG2-CG 4.13Å; I161-L165 WeakPolarHBondContact O-CG 3.34Å; I161-L165 PolarHBondContact O-N 2.83Å
162	H	93	Very high	87.6	Confident	81 Å²	81	69.7 Å²	69.7	38%	0.375	38%	0.375	S	S	.	.	H	α-helix	trans	-51.7	-47.2	-179.8	-172.8	79.2	0	0	0	112.5	E131 Y158 T164 L165 T166	E131-H162 WeakPolarHBondContact OE1-CA 2.89Å; E131-H162 VanDerWaalsContact OE1-CB 3.28Å; E131-H162 WeakPolarHBondContact OE1-CB 3.05Å; E131-H162 IonicContact OE1-CG 2.73Å; E131-H162 PolarHBondContact OE1-N 2.93Å; E131-H162 VanDerWaalsContact OE1-N 3.13Å; E131-H162 IonicContact OE1-ND1 3.14Å; E131-H162 IonicContact OE2-CE1 3.34Å; E131-H162 IonicContact OE2-CG 3.82Å; E131-H162 IonicContact OE2-ND1 2.79Å; E131-H162 PolarHBondContact OE2-ND1 2.7Å; Y158-H162 PolarHBondContact O-N 2.78Å; H162-T164 VanDerWaalsContact C-N 3.34Å; H162-T164 PolarHBondContact O-N 3.26Å; H162-L165 PolarHBondContact O-N 3.06Å; H162-T166 WeakPolarHBondContact O-CG2 3.14Å; H162-T166 PolarHBondContact O-N 2.77Å; H162-T166 PolarHBondContact O-OG1 2.71Å
163	K	92.6	Very high	88.6	Confident	139 Å²	139	64.8 Å²	64.8	60%	0.604	36%	0.364	S	S	*	.	H	α-helix	trans	-62.7	-35.8	173.7	-177.1	173.2	-179.4	174.8	0	113.3	P159 I161 T166 S167	P159-K163 WeakPolarHBondContact O-CB 3.25Å; P159-K163 PolarHBondContact O-N 3.21Å; P159-K163 VanDerWaalsContact O-N 3.08Å; I161-K163 VanDerWaalsContact C-N 3.29Å; I161-K163 PolarHBondContact O-N 3.44Å; K163-T166 WeakPolarHBondContact CA-OG1 3.09Å; K163-T166 PolarHBondContact O-OG1 2.89Å; K163-S167 VanDerWaalsContact O-CB 3.3Å; K163-S167 WeakPolarHBondContact O-CB 3.27Å; K163-S167 PolarHBondContact O-N 3.03Å; K163-S167 PolarHBondContact O-OG 3.19Å
164	T	92.1	Very high	89.3	Confident	22 Å²	22	59.8 Å²	59.8	14%	0.135	33%	0.327	C	S	.	.	H	α-helix	trans	-70.3	-39.4	177.3	-62	0	0	0	0	111.7	F108 N160 I161 H162 S168 F171	F108-T164 HydrophobicContact CB-CG2 4.05Å; N160-T164 VanDerWaalsContact O-CB 3.28Å; N160-T164 WeakPolarHBondContact O-CB 3.39Å; N160-T164 PolarHBondContact O-N 2.99Å; N160-T164 PolarHBondContact O-OG1 3.43Å; I161-T164 CarbonylContact O-C 3.51Å; I161-T164 WeakPolarHBondContact O-CA 3.29Å; I161-T164 WeakPolarHBondContact O-CB 3.31Å; I161-T164 PolarHBondContact O-N 3.21Å; H162-T164 VanDerWaalsContact C-N 3.34Å; H162-T164 PolarHBondContact O-N 3.26Å; T164-S168 WeakPolarHBondContact O-CB 3.27Å; T164-S168 PolarHBondContact O-N 2.84Å; T164-F171 HydrophobicContact CG2-CE2 4.3Å
165	L	92.3	Very high	89.7	Confident	2 Å²	2	63 Å²	63	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-39.9	179.7	-59.8	177.7	0	0	0	111.7	C112 E131 L135 I161 H162 F171 T173 V182	C112-L165 HydrophobicContact CB-CD2 3.73Å; E131-L165 HydrophobicContact CG-CD1 4.1Å; L135-L165 HydrophobicContact CD2-CD1 3.52Å; L135-L165 HydrophobicContact CD2-CD2 4.15Å; L135-L165 HydrophobicContact CD2-CG 4.47Å; I161-L165 HydrophobicContact CG2-CD1 3.76Å; I161-L165 HydrophobicContact CG2-CG 4.13Å; I161-L165 WeakPolarHBondContact O-CG 3.34Å; I161-L165 PolarHBondContact O-N 2.83Å; H162-L165 PolarHBondContact O-N 3.06Å; L165-F171 HydrophobicContact CD2-CD1 4.29Å; L165-F171 HydrophobicContact CD2-CD2 3.88Å; L165-F171 HydrophobicContact CD2-CE1 4.33Å; L165-F171 HydrophobicContact CD2-CE2 3.92Å; L165-F171 HydrophobicContact CD2-CG 4.08Å; L165-F171 HydrophobicContact CD2-CZ 4.15Å; L165-T173 HydrophobicContact CB-CG2 4.46Å; L165-V182 HydrophobicContact CB-CG1 4.41Å; L165-V182 HydrophobicContact CD1-CG1 4.43Å; L165-V182 HydrophobicContact CD1-CG2 4.04Å; L165-V182 HydrophobicContact CD2-CG1 4.22Å
166	T	91.3	Very high	89.6	Confident	69 Å²	69	60.1 Å²	60.1	42%	0.423	33%	0.325	S	S	.	.	H	α-helix	trans	-81.1	-18	-179	50.5	0	0	0	0	115	H162 K163 T173 L180	H162-T166 WeakPolarHBondContact O-CG2 3.14Å; H162-T166 PolarHBondContact O-N 2.77Å; H162-T166 PolarHBondContact O-OG1 2.71Å; K163-T166 WeakPolarHBondContact CA-OG1 3.09Å; K163-T166 PolarHBondContact O-OG1 2.89Å; T166-T173 HydrophobicContact CG2-CG2 4.43Å; T166-L180 HydrophobicContact CG2-CD2 4.18Å
167	S	90.2	Very high	89.6	Confident	90 Å²	90	63.4 Å²	63.4	63%	0.629	35%	0.348	S	S	*	.	H	α-helix	trans	-112.1	2.6	-177.2	68	0	0	0	0	115.6	K163	K163-S167 VanDerWaalsContact O-CB 3.3Å; K163-S167 WeakPolarHBondContact O-CB 3.27Å; K163-S167 PolarHBondContact O-N 3.03Å; K163-S167 PolarHBondContact O-OG 3.19Å
168	S	88.6	Confident	89.2	Confident	22 Å²	22	67.6 Å²	67.6	15%	0.154	37%	0.371	C	S	.	.			trans	-116.7	119.3	-174.8	-176.7	0	0	0	0	111.5	T109 T164 V170 F171	T109-S168 WeakPolarHBondContact CG2-OG 3.07Å; T164-S168 WeakPolarHBondContact O-CB 3.27Å; T164-S168 PolarHBondContact O-N 2.84Å; S168-V170 PolarHBondContact O-N 2.93Å; S168-F171 PolarHBondContact O-N 3.39Å
169	D	89.6	Confident	89	Confident	143 Å²	143	67.5 Å²	67.5	77%	0.765	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-23.4	176	61.9	-15.6	0	0	0	115.2	F171 S185	D169-F171 PolarHBondContact O-N 3.33Å; D169-S185 WeakPolarHBondContact O-CB 3.4Å; D169-S185 PolarHBondContact O-OG 3.49Å
170	V	88.4	Confident	88.9	Confident	42 Å²	42	64.1 Å²	64.1	26%	0.255	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.2	170.7	-176.1	0	0	0	0	113.7	T109 Q113 S168 S185	T109-V170 HydrophobicContact CG2-CB 4.38Å; T109-V170 HydrophobicContact CG2-CG2 4.06Å; Q113-V170 HydrophobicContact CB-CG1 4.47Å; Q113-V170 HydrophobicContact CG-CG1 4.34Å; S168-V170 PolarHBondContact O-N 2.93Å; V170-S185 WeakPolarHBondContact O-CB 3.5Å; V170-S185 PolarHBondContact O-N 3.02Å; V170-S185 PolarHBondContact O-OG 2.75Å
171	F	93.1	Very high	88.9	Confident	12 Å²	12	60.9 Å²	60.9	5%	0.053	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.1	-176.2	-47.5	-66.8	0	0	0	112.9	T109 C112 Q113 L116 T164 L165 S168 D169 V182 C183 L184 S185	T109-F171 HydrophobicContact CG2-CE2 4.03Å; T109-F171 HydrophobicContact CG2-CZ 4.17Å; C112-F171 HydrophobicContact CB-CE1 4Å; C112-F171 HydrophobicContact CB-CE2 4.38Å; C112-F171 HydrophobicContact CB-CZ 3.61Å; Q113-F171 HydrophobicContact CB-CE1 4.4Å; L116-F171 HydrophobicContact CD1-CD1 3.68Å; L116-F171 HydrophobicContact CD1-CE1 3.85Å; T164-F171 HydrophobicContact CG2-CE2 4.3Å; L165-F171 HydrophobicContact CD2-CD1 4.29Å; L165-F171 HydrophobicContact CD2-CD2 3.88Å; L165-F171 HydrophobicContact CD2-CE1 4.33Å; L165-F171 HydrophobicContact CD2-CE2 3.92Å; L165-F171 HydrophobicContact CD2-CG 4.08Å; L165-F171 HydrophobicContact CD2-CZ 4.15Å; S168-F171 PolarHBondContact O-N 3.39Å; D169-F171 PolarHBondContact O-N 3.33Å; F171-V182 HydrophobicContact CB-CG1 4.09Å; F171-C183 WeakPolarHBondContact CA-O 3.19Å; F171-L184 HydrophobicContact CD1-CD2 4.07Å; F171-L184 HydrophobicContact CE1-CD2 3.99Å; F171-S185 PolarHBondContact N-OG 2.87Å; F171-S185 PolarHBondContact O-OG 2.85Å
172	K	90.8	Very high	88.9	Confident	106 Å²	106	60.9 Å²	60.9	46%	0.461	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.9	163.1	-65.6	164.9	-177.4	158.4	0	108.7	V182 C183 S185	K172-V182 WeakPolarHBondContact O-CA 3.47Å; K172-C183 PolarHBondContact N-O 2.97Å; K172-C183 PolarHBondContact O-N 3.36Å; K172-S185 PolarHBondContact NZ-O 3.41Å; K172-S185 VanDerWaalsContact NZ-O 3.14Å
173	T	91.1	Very high	88.8	Confident	59 Å²	59	57.2 Å²	57.2	36%	0.362	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.6	-176.8	52.2	0	0	0	0	110.3	L165 T166 L180 C181 V182	L165-T173 HydrophobicContact CB-CG2 4.46Å; T166-T173 HydrophobicContact CG2-CG2 4.43Å; T173-L180 HydrophobicContact CG2-CD1 4.43Å; T173-L180 HydrophobicContact CG2-CD2 4.09Å; T173-L180 HydrophobicContact CG2-CG 4.45Å; T173-C181 CarbonylContact C-O 3.58Å; T173-C181 WeakPolarHBondContact CA-O 3.45Å; T173-V182 HydrophobicContact CG2-CG1 4.25Å; T173-V182 HydrophobicContact CG2-CG2 4.14Å
174	V	88.9	Confident	88.8	Confident	24 Å²	24	51.1 Å²	51.1	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.3	173.3	178.1	0	0	0	0	107	L31 Y128 T176 C181	L31-V174 HydrophobicContact CD2-CB 4.44Å; L31-V174 HydrophobicContact CD2-CG1 4.33Å; Y128-V174 HydrophobicContact CD1-CG2 4.5Å; Y128-V174 HydrophobicContact CE1-CG2 3.77Å; V174-T176 HydrophobicContact CG1-CG2 4.25Å; V174-C181 HydrophobicContact CB-CB 4.41Å; V174-C181 PolarHBondContact N-O 3.01Å; V174-C181 PolarHBondContact O-N 3.4Å
175	E	86.6	Confident	88.7	Confident	155 Å²	155	52 Å²	52	72%	0.724	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	139.5	172.5	-67.8	-178.4	173.6	0	0	109.5	L180	E175-L180 HydrophobicContact CG-CD1 3.8Å
176	T	82.1	Confident	88.3	Confident	33 Å²	33	55.3 Å²	55.3	20%	0.202	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	167.2	-179.3	70.9	0	0	0	0	110	L31 V174 D178 G179 C181	L31-T176 HydrophobicContact CD1-CG2 3.71Å; L31-T176 HydrophobicContact CD2-CG2 4.35Å; V174-T176 HydrophobicContact CG1-CG2 4.25Å; T176-D178 PolarHBondContact O-N 2.9Å; T176-D178 PolarHBondContact OG1-N 3.38Å; T176-G179 PolarHBondContact N-O 3.26Å; T176-G179 PolarHBondContact O-N 3.23Å; T176-G179 PolarHBondContact OG1-N 3.07Å; T176-G179 PolarHBondContact OG1-O 3.47Å; T176-C181 HydrophobicContact CG2-CB 4.21Å
177	S	81	Confident	88.1	Confident	124 Å²	124	54.5 Å²	54.5	87%	0.867	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-32.2	171.8	55.9	0	0	0	0	113.7
178	D	77	Confident	87.8	Confident	95 Å²	95	51.9 Å²	51.9	51%	0.508	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	0.7	-172.5	-83	57.2	0	0	0	113.5	M130 K133 T176	M130-D178 HydrophobicContact SD-CB 4.27Å; K133-D178 IonicContact NZ-OD2 2.62Å; K133-D178 PolarHBondContact NZ-OD2 2.9Å; T176-D178 PolarHBondContact O-N 2.9Å; T176-D178 PolarHBondContact OG1-N 3.38Å
179	G	85.5	Confident	87.7	Confident	35 Å²	35	50.9 Å²	50.9	36%	0.361	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.4	-161.9	-179.9	0	0	0	0	0	113.9	T176 C181	T176-G179 PolarHBondContact N-O 3.26Å; T176-G179 PolarHBondContact O-N 3.23Å; T176-G179 PolarHBondContact OG1-N 3.07Å; T176-G179 PolarHBondContact OG1-O 3.47Å; G179-C181 PolarHBondContact O-N 2.69Å
180	L	89.5	Confident	87.5	Confident	15 Å²	15	46.1 Å²	46.1	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119.7	-176.8	-163	73.8	0	0	0	111.6	E131 T166 T173 E175 V182	E131-L180 HydrophobicContact CB-CB 4.19Å; E131-L180 PolarHBondContact N-O 2.98Å; E131-L180 WeakPolarHBondContact OE2-CD2 3.41Å; T166-L180 HydrophobicContact CG2-CD2 4.18Å; T173-L180 HydrophobicContact CG2-CD1 4.43Å; T173-L180 HydrophobicContact CG2-CD2 4.09Å; T173-L180 HydrophobicContact CG2-CG 4.45Å; E175-L180 HydrophobicContact CG-CD1 3.8Å; L180-V182 HydrophobicContact CD2-CG2 3.77Å; L180-V182 HydrophobicContact CG-CG2 3.83Å
181	C	90.8	Very high	87.3	Confident	11 Å²	11	50.8 Å²	50.8	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.7	168.7	-77.2	0	0	0	0	109.9	L31 F129 M130 T173 V174 T176 G179	L31-C181 HydrophobicContact CD2-CB 3.63Å; F129-C181 CarbonylContact O-C 3.6Å; F129-C181 WeakPolarHBondContact O-CA 3.14Å; M130-C181 VanDerWaalsContact CG-SG 3.59Å; T173-C181 CarbonylContact C-O 3.58Å; T173-C181 WeakPolarHBondContact CA-O 3.45Å; V174-C181 HydrophobicContact CB-CB 4.41Å; V174-C181 PolarHBondContact N-O 3.01Å; V174-C181 PolarHBondContact O-N 3.4Å; T176-C181 HydrophobicContact CG2-CB 4.21Å; G179-C181 PolarHBondContact O-N 2.69Å
182	V	92.2	Very high	87	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.1	-170.4	-168.8	0	0	0	0	111.4	L116 F129 L165 F171 K172 T173 L180	L116-V182 HydrophobicContact CD1-CG1 4.12Å; F129-V182 PolarHBondContact N-O 3.25Å; F129-V182 PolarHBondContact O-N 3.44Å; L165-V182 HydrophobicContact CB-CG1 4.41Å; L165-V182 HydrophobicContact CD1-CG1 4.43Å; L165-V182 HydrophobicContact CD1-CG2 4.04Å; L165-V182 HydrophobicContact CD2-CG1 4.22Å; F171-V182 HydrophobicContact CB-CG1 4.09Å; K172-V182 WeakPolarHBondContact O-CA 3.47Å; T173-V182 HydrophobicContact CG2-CG1 4.25Å; T173-V182 HydrophobicContact CG2-CG2 4.14Å; L180-V182 HydrophobicContact CD2-CG2 3.77Å; L180-V182 HydrophobicContact CG-CG2 3.83Å
183	C	92.2	Very high	86.9	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.027	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	170	172.3	75.7	0	0	0	0	112	L127 Y128 F171 K172	L127-C183 HydrophobicContact CB-CB 4.28Å; L127-C183 WeakPolarHBondContact O-CB 3.41Å; Y128-C183 HydrophobicContact CD1-CB 3.72Å; Y128-C183 HydrophobicContact CE1-CB 3.84Å; Y128-C183 WeakPolarHBondContact CE1-SG 3.42Å; Y128-C183 HydrophobicContact CG-CB 4.18Å; F171-C183 WeakPolarHBondContact CA-O 3.19Å; K172-C183 PolarHBondContact N-O 2.97Å; K172-C183 PolarHBondContact O-N 3.36Å
184	L	91.5	Very high	86.7	Confident	10 Å²	10	43.9 Å²	43.9	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.5	173.7	-64.2	175.8	0	0	0	110.9	Q113 L116 A117 F171 N186 I192	Q113-L184 HydrophobicContact CB-CD2 4.49Å; Q113-L184 HydrophobicContact CG-CD2 4.07Å; L116-L184 HydrophobicContact CB-CD1 4.39Å; L116-L184 HydrophobicContact CB-CD2 3.9Å; L116-L184 HydrophobicContact CB-CG 3.92Å; L116-L184 HydrophobicContact CD1-CD2 3.99Å; L116-L184 HydrophobicContact CD1-CG 4.45Å; A117-L184 HydrophobicContact CB-CD1 4.25Å; F171-L184 HydrophobicContact CD1-CD2 4.07Å; F171-L184 HydrophobicContact CE1-CD2 3.99Å; L184-N186 WeakPolarHBondContact CB-O 3.28Å; L184-N186 PolarHBondContact O-N 3.3Å; L184-I192 HydrophobicContact CD1-CD1 3.78Å
185	S	89.4	Confident	86.3	Confident	40 Å²	40	46.2 Å²	46.2	28%	0.28	27%	0.273	S	S	.	.	S	Bend	trans	-60.2	-34.6	175.6	-74.5	0	0	0	0	112.9	D169 V170 F171 K172	D169-S185 WeakPolarHBondContact O-CB 3.4Å; D169-S185 PolarHBondContact O-OG 3.49Å; V170-S185 WeakPolarHBondContact O-CB 3.5Å; V170-S185 PolarHBondContact O-N 3.02Å; V170-S185 PolarHBondContact O-OG 2.75Å; F171-S185 PolarHBondContact N-OG 2.87Å; F171-S185 PolarHBondContact O-OG 2.85Å; K172-S185 PolarHBondContact NZ-O 3.41Å; K172-S185 VanDerWaalsContact NZ-O 3.14Å
186	N	85	Confident	85.7	Confident	72 Å²	72	39.2 Å²	39.2	39%	0.385	24%	0.24	S	C	.	.	S	Bend	trans	-106.9	114.4	169.3	173.5	29.8	0	0	0	109.5	L184 D188	L184-N186 WeakPolarHBondContact CB-O 3.28Å; L184-N186 PolarHBondContact O-N 3.3Å; N186-D188 WeakPolarHBondContact OD1-CB 3.48Å; N186-D188 PolarHBondContact OD1-N 3.34Å; N186-D188 VanDerWaalsContact OD1-N 3.15Å
187	T	86.3	Confident	84.5	Confident	52 Å²	52	40.1 Å²	40.1	32%	0.319	24%	0.244	S	C	.	.			trans	-86.9	-3.4	-177.8	56.7	0	0	0	0	113.6	M120 L127 L189	M120-T187 VanDerWaalsContact CE-O 3.27Å; M120-T187 WeakPolarHBondContact CE-O 3.44Å; L127-T187 HydrophobicContact CD1-CG2 4.06Å; L127-T187 HydrophobicContact CD2-CG2 3.51Å; L127-T187 HydrophobicContact CG-CG2 4.43Å; T187-L189 PolarHBondContact O-N 2.9Å
188	D	84.5	Confident	83.2	Confident	35 Å²	35	42.4 Å²	42.4	19%	0.187	23%	0.233	C	C	.	.			trans	-85	100.2	179.2	-176.4	-6.3	0	0	0	111.8	N186 T190 K191	N186-D188 WeakPolarHBondContact OD1-CB 3.48Å; N186-D188 PolarHBondContact OD1-N 3.34Å; N186-D188 VanDerWaalsContact OD1-N 3.15Å; D188-T190 VanDerWaalsContact CG-OG1 3.25Å; D188-T190 PolarHBondContact O-N 3.42Å; D188-T190 VanDerWaalsContact OD1-CB 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.49Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.49Å; D188-T190 PolarHBondContact OD1-N 3Å; D188-T190 PolarHBondContact OD1-OG1 2.8Å; D188-T190 PolarHBondContact OD2-OG1 3.24Å; D188-K191 HydrophobicContact CB-CD 4.32Å; D188-K191 HydrophobicContact CB-CG 4.33Å; D188-K191 PolarHBondContact O-N 3.45Å; D188-K191 VanDerWaalsContact O-N 3.15Å; D188-K191 IonicContact OD2-NZ 3.77Å; D188-K191 PolarHBondContact OD2-NZ 3.37Å
189	L	86.8	Confident	81.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.1	-25.9	177.4	-70	177.9	0	0	0	113.8	I37 F53 F82 A117 M120 T187 K191 I192	I37-L189 HydrophobicContact CD1-CD1 3.94Å; I37-L189 HydrophobicContact CG1-CD1 4.1Å; I37-L189 HydrophobicContact CG2-CD1 3.93Å; F53-L189 HydrophobicContact CE1-CB 4.26Å; F53-L189 HydrophobicContact CE2-CB 4.1Å; F53-L189 HydrophobicContact CZ-CB 3.85Å; F82-L189 HydrophobicContact CD1-CD2 4.29Å; F82-L189 HydrophobicContact CE1-CB 3.87Å; F82-L189 HydrophobicContact CE1-CD1 4.36Å; F82-L189 HydrophobicContact CE1-CD2 3.85Å; F82-L189 HydrophobicContact CE1-CG 4.23Å; F82-L189 HydrophobicContact CE2-CD2 4.34Å; F82-L189 HydrophobicContact CZ-CB 4.2Å; F82-L189 HydrophobicContact CZ-CD1 3.84Å; F82-L189 HydrophobicContact CZ-CD2 3.88Å; F82-L189 HydrophobicContact CZ-CG 4.19Å; A117-L189 HydrophobicContact CB-CD2 3.81Å; M120-L189 HydrophobicContact CE-CD1 3.86Å; M120-L189 HydrophobicContact CE-CD2 3.57Å; M120-L189 HydrophobicContact CE-CG 3.47Å; M120-L189 VanDerWaalsContact CE-CG 3.47Å; T187-L189 PolarHBondContact O-N 2.9Å; L189-K191 PolarHBondContact O-N 3Å; L189-I192 HydrophobicContact CD2-CD1 3.64Å; L189-I192 PolarHBondContact O-N 2.83Å
190	T	84.8	Confident	79.9	Confident	43 Å²	43	41.5 Å²	41.5	26%	0.264	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-64.5	-29	178.9	70.4	0	0	0	0	112	P38 R51 F53 D188	P38-T190 HydrophobicContact CG-CG2 3.87Å; R51-T190 PolarHBondContact NH1-O 3.27Å; F53-T190 HydrophobicContact CZ-CG2 3.94Å; D188-T190 VanDerWaalsContact CG-OG1 3.25Å; D188-T190 PolarHBondContact O-N 3.42Å; D188-T190 VanDerWaalsContact OD1-CB 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.49Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.49Å; D188-T190 PolarHBondContact OD1-N 3Å; D188-T190 PolarHBondContact OD1-OG1 2.8Å; D188-T190 PolarHBondContact OD2-OG1 3.24Å
191	K	84	Confident	77.7	Confident	140 Å²	140	42.8 Å²	42.8	61%	0.609	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-85.9	-7.3	-178.2	-62.6	-174.4	176.7	93.1	0	113.9	D188 L189 G193	D188-K191 HydrophobicContact CB-CD 4.32Å; D188-K191 HydrophobicContact CB-CG 4.33Å; D188-K191 PolarHBondContact O-N 3.45Å; D188-K191 VanDerWaalsContact O-N 3.15Å; D188-K191 IonicContact OD2-NZ 3.77Å; D188-K191 PolarHBondContact OD2-NZ 3.37Å; L189-K191 PolarHBondContact O-N 3Å; K191-G193 PolarHBondContact O-N 3.23Å
192	I	87.4	Confident	75.3	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	25%	0.247	C	C	.	.			trans	-77.5	117.3	178.9	-58.1	-175.9	0	0	0	109.4	W66 F82 T84 A117 L184 L189	W66-I192 WeakPolarHBondContact CH2-O 3.39Å; W66-I192 VanDerWaalsContact CZ2-O 3.23Å; W66-I192 WeakPolarHBondContact CZ2-O 3.41Å; F82-I192 HydrophobicContact CB-CG2 4.15Å; F82-I192 HydrophobicContact CD1-CB 4.33Å; F82-I192 HydrophobicContact CD1-CG2 4.48Å; T84-I192 HydrophobicContact CG2-CG2 3.98Å; A117-I192 HydrophobicContact CB-CD1 3.65Å; L184-I192 HydrophobicContact CD1-CD1 3.78Å; L189-I192 HydrophobicContact CD2-CD1 3.64Å; L189-I192 PolarHBondContact O-N 2.83Å
193	G	88	Confident	73	Confident	20 Å²	20	48.4 Å²	48.4	21%	0.206	26%	0.257	C	S	.	.			trans	-167.4	173.5	179.8	0	0	0	0	0	114.6	T84 K191 S195	T84-G193 VanDerWaalsContact CG2-C 3.47Å; T84-G193 WeakPolarHBondContact CG2-O 3.4Å; K191-G193 PolarHBondContact O-N 3.23Å; G193-S195 PolarHBondContact O-N 3.21Å
194	P	86.8	Confident	70.3	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.052	27%	0.272	C	S	.	.			trans	-64.1	122.5	-175.9	27	-37.9	0	0	0	113.4	Q59 Y86 Y196	Q59-P194 HydrophobicContact CB-CG 3.97Å; Y86-P194 HydrophobicContact CD2-CG 4.49Å; Y86-P194 HydrophobicContact CE2-CB 4.12Å; Y86-P194 HydrophobicContact CE2-CG 3.68Å; Y86-P194 WeakPolarHBondContact OH-CD 3.41Å; P194-Y196 HydrophobicContact CB-CD2 4.49Å; P194-Y196 HydrophobicContact CB-CE1 4.36Å; P194-Y196 HydrophobicContact CB-CE2 4Å; P194-Y196 HydrophobicContact CG-CD2 4.19Å; P194-Y196 HydrophobicContact CG-CE2 3.41Å; P194-Y196 VanDerWaalsContact CG-CE2 3.41Å; P194-Y196 WeakPolarHBondContact O-CD2 3.26Å; P194-Y196 PolarHBondContact O-N 3.37Å
195	S	79.9	Confident	67.8	Low	73 Å²	73	56.2 Å²	56.2	51%	0.51	30%	0.298	S	S	.	.			trans	-73.1	85.8	172.8	-174	0	0	0	0	111.6	G193 D197 R198	G193-S195 PolarHBondContact O-N 3.21Å; S195-D197 PolarHBondContact O-N 2.9Å; S195-R198 PolarHBondContact O-N 3.02Å
196	Y	75.9	Confident	65.3	Low	9 Å²	9	60.3 Å²	60.3	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-29.5	173.8	-70.6	-60.5	0	0	0	112.3	Q59 S61 Y64 H87 F88 P194 R198 F199 R200	Q59-Y196 PolarHBondContact O-OH 3.37Å; S61-Y196 VanDerWaalsContact CA-CE2 3.47Å; S61-Y196 VanDerWaalsContact CB-CZ 3.44Å; Y64-Y196 HydrophobicContact CE1-CD2 4.45Å; H87-Y196 HydrophobicContact CB-CE1 4.32Å; H87-Y196 AromaticContact CD2-CE1 3.65Å; F88-Y196 PolarHBondContact N-OH 2.91Å; P194-Y196 HydrophobicContact CB-CD2 4.49Å; P194-Y196 HydrophobicContact CB-CE1 4.36Å; P194-Y196 HydrophobicContact CB-CE2 4Å; P194-Y196 HydrophobicContact CG-CD2 4.19Å; P194-Y196 HydrophobicContact CG-CE2 3.41Å; P194-Y196 VanDerWaalsContact CG-CE2 3.41Å; P194-Y196 WeakPolarHBondContact O-CD2 3.26Å; P194-Y196 PolarHBondContact O-N 3.37Å; Y196-R198 PolarHBondContact O-N 3.04Å; Y196-F199 PolarHBondContact O-N 3.37Å; Y196-R200 PolarHBondContact O-N 3.32Å
197	D	56.1	Low	63	Low	52 Å²	52	62.5 Å²	62.5	28%	0.278	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-34.5	178	-82.8	-75.9	0	0	0	116.1	S195 K366	S195-D197 PolarHBondContact O-N 2.9Å; D197-K366 VanDerWaalsContact CB-NZ 3.33Å; D197-K366 PolarHBondContact O-NZ 2.7Å; D197-K366 WeakPolarHBondContact OD1-CD 3.25Å; D197-K366 VanDerWaalsContact OD1-CE 3.27Å; D197-K366 WeakPolarHBondContact OD1-CE 3.33Å; D197-K366 VanDerWaalsContact OD1-CG 3.27Å; D197-K366 WeakPolarHBondContact OD1-CG 3.46Å; D197-K366 IonicContact OD1-NZ 2.83Å; D197-K366 PolarHBondContact OD1-NZ 2.97Å
198	R	52.6	Low	60.7	Low	171 Å²	171	65.1 Å²	65.1	65%	0.645	34%	0.335	S	S	*	.	H	α-helix	trans	-78.1	-30.2	179	-162.1	172.1	-171.1	160.6	3.6	111.4	S195 Y196 A201 L202	S195-R198 PolarHBondContact O-N 3.02Å; Y196-R198 PolarHBondContact O-N 3.04Å; R198-A201 PolarHBondContact O-N 2.81Å; R198-L202 PolarHBondContact O-N 2.65Å
199	F	47	Very low	58.4	Low	89 Å²	89	70 Å²	70	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-71.4	-44.1	179.9	-148.3	-106.3	0	0	0	112	K104 Y196 A201 L202 T203	K104-F199 HydrophobicContact CD-CD2 3.75Å; K104-F199 HydrophobicContact CD-CE2 3.56Å; K104-F199 HydrophobicContact CD-CG 4.43Å; K104-F199 HydrophobicContact CD-CZ 4.09Å; K104-F199 VanDerWaalsContact CE-CD2 3.49Å; K104-F199 VanDerWaalsContact CE-CE2 3.46Å; K104-F199 HydrophobicContact CG-CE2 4Å; K104-F199 HydrophobicContact CG-CZ 4.27Å; Y196-F199 PolarHBondContact O-N 3.37Å; F199-A201 PolarHBondContact O-N 3.01Å; F199-L202 PolarHBondContact O-N 3.12Å; F199-T203 PolarHBondContact O-N 2.79Å; F199-T203 PolarHBondContact O-OG1 3.14Å
200	R	48	Very low	56	Low	22 Å²	22	76.9 Å²	76.9	8%	0.083	40%	0.397	C	S	.	.	H	α-helix	trans	-65.8	-19.6	174.5	-64	-165.6	-168.4	147.5	17.5	114.2	Y196 T203 D361 R364 A365	Y196-R200 PolarHBondContact O-N 3.32Å; R200-T203 PolarHBondContact O-OG1 2.95Å; R200-D361 IonicContact NE-OD1 2.82Å; R200-D361 IonicContact NE-OD2 3.15Å; R200-D361 PolarHBondContact NE-OD2 2.77Å; R200-R364 PolarHBondContact NH1-O 2.81Å; R200-A365 PolarHBondContact NH1-O 3.23Å
201	A	42.7	Very low	53.6	Low	42 Å²	42	81 Å²	81	35%	0.347	42%	0.422	S	S	.	.	H	α-helix	trans	-77.5	-44.9	172.7	0	0	0	0	0	111.5	R198 F199 S204	R198-A201 PolarHBondContact O-N 2.81Å; F199-A201 PolarHBondContact O-N 3.01Å; A201-S204 PolarHBondContact O-N 2.97Å; A201-S204 PolarHBondContact O-OG 3.43Å
202	L	39.3	Very low	51.2	Low	95 Å²	95	83.4 Å²	83.4	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-67.9	-37.2	-178.2	-81.1	163.6	0	0	0	113.2	R198 F199 S204 Q205	R198-L202 PolarHBondContact O-N 2.65Å; F199-L202 PolarHBondContact O-N 3.12Å; L202-S204 PolarHBondContact O-N 3.01Å; L202-Q205 PolarHBondContact O-N 3.19Å
203	T	43.8	Very low	48.7	Very low	34 Å²	34	92.1 Å²	92.1	21%	0.209	48%	0.478	C	S	.	.	H	α-helix	trans	-60.6	-29.7	175.2	47.9	0	0	0	0	112.7	F199 R200 E362	F199-T203 PolarHBondContact O-N 2.79Å; F199-T203 PolarHBondContact O-OG1 3.14Å; R200-T203 PolarHBondContact O-OG1 2.95Å; T203-E362 WeakPolarHBondContact OG1-CG 3.35Å
204	S	37.1	Very low	45.9	Very low	47 Å²	47	94.6 Å²	94.6	33%	0.329	50%	0.503	S	S	.	.	H	α-helix	trans	-76.8	-23.4	179.1	75.9	0	0	0	0	115.6	A201 L202 E362	A201-S204 PolarHBondContact O-N 2.97Å; A201-S204 PolarHBondContact O-OG 3.43Å; L202-S204 PolarHBondContact O-N 3.01Å; S204-E362 WeakPolarHBondContact CA-OE1 3.41Å; S204-E362 WeakPolarHBondContact CB-OE1 3.33Å
205	Q	37.6	Very low	43.3	Very low	131 Å²	131	101 Å²	101	61%	0.612	54%	0.542	S	S	*	.	H	α-helix	trans	-85	-22	180	-65.6	-174.7	-8.1	0	0	112.6	L202 T208	L202-Q205 PolarHBondContact O-N 3.19Å; Q205-T208 PolarHBondContact O-OG1 2.79Å
206	L	37.5	Very low	41	Very low	126 Å²	126	101 Å²	101	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-78.7	-27.8	179.1	-74.5	161.6	0	0	0	113.5
207	R	36.7	Very low	39.1	Very low	119 Å²	119	103.1 Å²	103.1	45%	0.449	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	-9.7	-178	-94.1	158.3	177.7	155.3	8.2	115.9	E362	R207-E362 WeakPolarHBondContact CD-OE2 3.45Å; R207-E362 IonicContact CZ-OE2 3.72Å; R207-E362 IonicContact NE-OE2 3.58Å; R207-E362 IonicContact NH1-OE2 3.53Å; R207-E362 PolarHBondContact NH1-OE2 3.36Å
208	T	38.7	Very low	38.1	Very low	107 Å²	107	103.8 Å²	103.8	66%	0.656	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-5.6	-179.7	49.6	0	0	0	0	114.2	Q205	Q205-T208 PolarHBondContact O-OG1 2.79Å
209	N	35	Very low	37.1	Very low	138 Å²	138	103.1 Å²	103.1	74%	0.738	58%	0.579	S	S	*	*	S	Bend	trans	-120.7	-3.3	-172.1	-70	-67	0	0	0	115.5
210	I	36.5	Very low	36.3	Very low	145 Å²	145	106.4 Å²	106.4	74%	0.744	60%	0.598	S	S	*	*	S	Bend	trans	-119.7	60.9	-177.2	-48.4	-178.7	0	0	0	109.7
211	T	34.6	Very low	35.6	Very low	128 Å²	128	110.5 Å²	110.5	79%	0.785	63%	0.628	S	S	*	*			trans	-149.5	34.3	176.4	-30.2	0	0	0	0	112.4
212	K	34.5	Very low	35.1	Very low	191 Å²	191	115.8 Å²	115.8	83%	0.83	65%	0.651	S	S	*	*	S	Bend	trans	-121.1	137.1	162.3	-78.8	-176.7	174.3	179.6	0	107.8
213	L	34	Very low	34.7	Very low	187 Å²	187	116 Å²	116	98%	0.979	66%	0.66	S	S	*	*			trans	72.7	140.2	-174.7	-46	172.7	0	0	0	114.2
214	G	29.8	Very low	34.1	Very low	72 Å²	72	120.7 Å²	120.7	74%	0.742	69%	0.688	S	S	*	*			trans	172.9	168.2	179.3	0	0	0	0	0	110.8
215	V	32.4	Very low	33.8	Very low	143 Å²	143	123.5 Å²	123.5	87%	0.867	71%	0.708	S	S	*	*			trans	-169.4	155.3	169.9	129.5	0	0	0	0	110.6
216	P	32.1	Very low	33.4	Very low	74 Å²	74	125.7 Å²	125.7	48%	0.481	72%	0.718	S	S	.	*			trans	-129.3	171.2	-158.9	23.7	0.6	0	0	0	118.9	L348 G350	P216-L348 WeakPolarHBondContact CB-O 3.43Å; P216-L348 WeakPolarHBondContact CG-O 3.38Å; P216-G350 WeakPolarHBondContact CA-O 3.44Å
217	S	34.4	Very low	33.1	Very low	53 Å²	53	126.7 Å²	126.7	37%	0.371	73%	0.73	S	S	.	*			trans	151	93.2	163.2	-71.2	0	0	0	0	123.4	G349 G350 T351	S217-G349 WeakPolarHBondContact OG-CA 2.97Å; S217-G350 VanDerWaalsContact N-C 3.33Å; S217-G350 PolarHBondContact N-O 2.81Å; S217-T351 VanDerWaalsContact C-OG1 3.22Å; S217-T351 WeakPolarHBondContact CA-OG1 3.44Å; S217-T351 PolarHBondContact N-OG1 3.14Å; S217-T351 WeakPolarHBondContact O-CB 3.34Å; S217-T351 WeakPolarHBondContact O-CG2 3.13Å; S217-T351 PolarHBondContact O-OG1 2.73Å
218	A	35	Very low	32.6	Very low	66 Å²	66	130.3 Å²	130.3	55%	0.545	75%	0.752	S	S	.	*			trans	71.5	166.5	151.3	0	0	0	0	0	123
219	N	31.7	Very low	32.6	Very low	156 Å²	156	130.6 Å²	130.6	83%	0.834	76%	0.755	S	S	*	*			cis	-167	175.7	-47.7	-152.3	3.4	0	0	0	112.9
220	I	32	Very low	32.3	Very low	158 Å²	158	129.1 Å²	129.1	81%	0.81	76%	0.756	S	S	*	*			trans	110.4	137.6	163.9	-59.2	169.3	0	0	0	118.7
221	P	32.9	Very low	31.9	Very low	108 Å²	108	129.3 Å²	129.3	70%	0.701	76%	0.757	S	S	*	*			trans	-133	-163.8	-169.1	45.9	-28.3	0	0	0	118.6
222	N	31.2	Very low	31.7	Very low	154 Å²	154	129 Å²	129	82%	0.824	76%	0.76	S	S	*	*			trans	89.4	147.5	169.8	-67.1	-6.9	0	0	0	118.4
223	S	30.9	Very low	31.4	Very low	99 Å²	99	122.9 Å²	122.9	69%	0.692	75%	0.751	S	S	*	*			cis	-173.5	175.8	-6.8	48	0	0	0	0	113
224	V	31.6	Very low	31.1	Very low	133 Å²	133	119.7 Å²	119.7	81%	0.806	74%	0.744	S	S	*	*			trans	78.6	142.6	162.2	176	0	0	0	0	117.5
225	S	31.5	Very low	31.1	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	75%	0.747	S	S	*	*			cis	-165.3	175.9	-22.1	-91.3	0	0	0	0	113.5
226	Q	28.1	Very low	30.9	Very low	176 Å²	176	119.8 Å²	119.8	82%	0.822	74%	0.735	S	S	*	*			trans	-69.5	161.6	-169.3	-54.4	155.8	-13.7	0	0	119.1
227	T	31.1	Very low	30.7	Very low	147 Å²	147	123.1 Å²	123.1	90%	0.902	75%	0.748	S	S	*	*				-179.2	174.2	119.2	26.8	0	0	0	0	113.7
228	Q	26.1	Very low	30.4	Very low	195 Å²	195	126.7 Å²	126.7	91%	0.911	77%	0.768	S	S	*	*			trans	-137.3	174.9	-162.9	-104.9	-142.9	-20.6	0	0	116.6
229	P	39.4	Very low	30.1	Very low	113 Å²	113	127.8 Å²	127.8	73%	0.734	78%	0.777	S	S	*	*			trans	-120.4	-167.8	-157.5	46.5	-37.9	0	0	0	117.8
230	S	28	Very low	29.9	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	77%	0.77	S	S	*	*			trans	-162.9	172.9	175.5	71.8	0	0	0	0	111.1
231	I	29.4	Very low	29.8	Very low	149 Å²	149	126.6 Å²	126.6	76%	0.764	77%	0.767	S	S	*	*			cis	-163.6	149.4	-25.3	-107.7	171.1	0	0	0	110.6
232	S	29	Very low	29.6	Very low	120 Å²	120	125.8 Å²	125.8	84%	0.839	76%	0.764	S	S	*	*			trans	62	153.7	163.7	67.7	0	0	0	0	121.4
233	G	28.4	Very low	29.5	Very low	64 Å²	64	123 Å²	123	66%	0.66	76%	0.756	S	S	*	*			cis	162.7	153.5	-14.9	0	0	0	0	0	116.6
234	S	28.4	Very low	29.3	Very low	119 Å²	119	124.2 Å²	124.2	83%	0.832	76%	0.76	S	S	*	*			trans	66.9	157.8	161.3	70	0	0	0	0	119.6
235	V	29.5	Very low	29.2	Very low	131 Å²	131	124.7 Å²	124.7	79%	0.794	76%	0.757	S	S	*	*			cis	-148.1	167.7	4.9	-130.2	0	0	0	0	113.3
236	S	28.4	Very low	29.1	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	76%	0.756	S	S	*	*			trans	-28	166	161.2	53.9	0	0	0	0	120.8
237	D	28.4	Very low	29.2	Very low	143 Å²	143	121.3 Å²	121.3	77%	0.765	75%	0.748	S	S	*	*			cis	-170.6	-146.8	-21.7	-89.9	-54.1	0	0	0	105.8
238	T	28.3	Very low	29.3	Very low	129 Å²	129	118.9 Å²	118.9	79%	0.791	74%	0.737	S	S	*	*			cis	-168.6	155	4.7	-20.1	0	0	0	0	110.5
239	A	28.5	Very low	29.5	Very low	89 Å²	89	115.9 Å²	115.9	74%	0.736	73%	0.728	S	S	*	*			trans	47.7	155.9	149.6	0	0	0	0	0	122.1
240	D	27.5	Very low	29	Very low	127 Å²	127	116.1 Å²	116.1	68%	0.679	72%	0.723	S	S	*	*			cis	-165.1	168.3	-1.2	-143.9	-8	0	0	0	113.6
241	Q	29.6	Very low	29.1	Very low	162 Å²	162	119 Å²	119	76%	0.757	72%	0.724	S	S	*	*			trans	57.5	155.1	150.2	-75.1	172.4	69.7	0	0	121.8
242	S	28.2	Very low	29.1	Very low	90 Å²	90	119.8 Å²	119.8	63%	0.629	73%	0.729	S	S	*	*			cis	-168.8	172.7	-16.6	59.6	0	0	0	0	112.7
243	S	28.3	Very low	29.4	Very low	95 Å²	95	118.8 Å²	118.8	66%	0.664	72%	0.72	S	S	*	*			trans	69.4	110.7	153.7	73.9	0	0	0	0	118.7
244	T	28.5	Very low	29.3	Very low	126 Å²	126	124.5 Å²	124.5	77%	0.773	73%	0.727	S	S	*	*				72.8	152.4	77.7	60.3	0	0	0	0	115.9
245	L	28.4	Very low	29.4	Very low	142 Å²	142	125.3 Å²	125.3	74%	0.743	73%	0.727	S	S	*	*			cis	-146.5	160.3	15	-108.5	121.9	0	0	0	112.5
246	T	28.9	Very low	29.3	Very low	115 Å²	115	126.3 Å²	126.3	71%	0.706	73%	0.728	S	S	*	*			trans	-6.5	169.6	150.8	67.3	0	0	0	0	121.9
247	S	31.1	Very low	29.4	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	74%	0.743	S	S	*	*			cis	-173.2	171.6	30	-148.6	0	0	0	0	115.9
248	S	32.4	Very low	29.4	Very low	96 Å²	96	129.5 Å²	129.5	67%	0.671	75%	0.745	S	S	*	*			trans	70.9	152.9	145.1	73.4	0	0	0	0	120
249	N	30.6	Very low	29.5	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	75%	0.753	S	S	*	*			cis	-167.8	152	-10.4	-112.4	-8.5	0	0	0	112.2
250	N	30.2	Very low	29.4	Very low	118 Å²	118	130.2 Å²	130.2	63%	0.631	75%	0.745	S	S	*	*			trans	51.1	155.3	139.5	-63	-30.6	0	0	0	122.1
251	Q	29.3	Very low	29.4	Very low	168 Å²	168	132.2 Å²	132.2	79%	0.785	75%	0.754	S	S	*	*			cis	-159.4	179.8	-7.8	-116.2	166.2	38.3	0	0	112.3
252	L	29.2	Very low	29.4	Very low	166 Å²	166	131.4 Å²	131.4	87%	0.869	76%	0.755	S	S	*	*			trans	-86.6	-160.5	178.9	-68.9	165.9	0	0	0	111.1
253	P	34.5	Very low	29.2	Very low	99 Å²	99	133 Å²	133	64%	0.643	76%	0.761	S	S	*	*			cis	-154.6	-175	11.5	43.9	-20.3	0	0	0	121.3
254	F	27.4	Very low	29.2	Very low	185 Å²	185	133.5 Å²	133.5	81%	0.811	76%	0.762	S	S	*	*			trans	65.6	143.7	159.3	-60.9	-56.7	0	0	0	119.6
255	T	31	Very low	29	Very low	135 Å²	135	133.2 Å²	133.2	83%	0.828	76%	0.76	S	S	*	*			cis	-153.2	-176	49.6	32.2	0	0	0	0	113.5
256	N	26.9	Very low	28.9	Very low	152 Å²	152	138 Å²	138	81%	0.813	77%	0.768	S	S	*	*			trans	-97.9	168.8	-176.3	-44.1	-52.4	0	0	0	113.3
257	E	29.4	Very low	28.8	Very low	199 Å²	199	143.2 Å²	143.2	93%	0.93	78%	0.775	S	S	*	*				-159	170.4	127.1	-83.6	-115	104.8	0	0	108
258	A	28.8	Very low	28.4	Very low	98 Å²	98	148.6 Å²	148.6	81%	0.81	79%	0.786	S	S	*	*			trans	-147.5	145.8	-170.2	0	0	0	0	0	114.1
259	D	31.4	Very low	28.1	Very low	177 Å²	177	155.8 Å²	155.8	95%	0.947	80%	0.799	S	S	*	*			trans	-152.5	163.8	160.6	-131.4	-32	0	0	0	111.3
260	G	27	Very low	27.9	Very low	57 Å²	57	159.1 Å²	159.1	59%	0.588	81%	0.807	S	S	*	*			trans	-114.9	-160.1	-160.6	0	0	0	0	0	118.4
261	I	27.3	Very low	27.8	Very low	169 Å²	169	159.1 Å²	159.1	87%	0.867	82%	0.816	S	S	*	*			trans	74.8	126.3	177.1	-49.6	164.9	0	0	0	111.9
262	D	28.4	Very low	27.8	Very low	145 Å²	145	157.3 Å²	157.3	78%	0.775	82%	0.819	S	S	*	*			cis	-152.6	175.9	27.7	-146	-25.9	0	0	0	113.1
263	V	24	Very low	27.8	Very low	122 Å²	122	153.1 Å²	153.1	74%	0.739	82%	0.816	S	S	*	*			trans	-117.8	108.9	-178.5	-178.8	0	0	0	0	114	V265	V263-V265 PolarHBondContact O-N 2.91Å
264	P	28.6	Very low	27.6	Very low	106 Å²	106	154.7 Å²	154.7	69%	0.688	83%	0.829	S	S	*	*			trans	-83.4	109.1	177.7	-10.5	27.7	0	0	0	113.6	W266	P264-W266 PolarHBondContact O-N 3.15Å
265	V	23.6	Very low	27.7	Very low	121 Å²	121	148.8 Å²	148.8	73%	0.733	82%	0.82	S	S	*	*			trans	-72.7	108.8	172.3	177.1	0	0	0	0	111.4	V263 R267	V263-V265 PolarHBondContact O-N 2.91Å; V265-R267 PolarHBondContact O-N 3.13Å
266	W	27.3	Very low	27.7	Very low	243 Å²	243	150.5 Å²	150.5	92%	0.92	82%	0.824	S	S	*	*			trans	-81.5	112.9	174.6	-86	63.8	0	0	0	112.4	P264	P264-W266 PolarHBondContact O-N 3.15Å
267	R	26.8	Very low	27.7	Very low	224 Å²	224	148 Å²	148	85%	0.845	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-83.4	144.9	-174	-50.4	-178.2	-158	177.7	6.6	112.3	V265 R269	V265-R267 PolarHBondContact O-N 3.13Å; R267-R269 PolarHBondContact O-N 3.43Å
268	K	21.9	Very low	27.8	Very low	209 Å²	209	145.4 Å²	145.4	91%	0.909	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-54.6	132.1	165.2	-80.6	177.9	172.7	174.2	0	111
269	R	27.2	Very low	28	Very low	247 Å²	247	143.6 Å²	143.6	93%	0.932	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.9	145.3	155.5	-74.8	-174.6	172.8	-178.9	-1.8	109.6	R267	R267-R269 PolarHBondContact O-N 3.43Å
270	K	25.5	Very low	28.1	Very low	201 Å²	201	145 Å²	145	87%	0.874	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-92.9	151.3	179.2	-69.4	179.8	175.9	179.1	0	111.2
271	S	28.1	Very low	28.3	Very low	118 Å²	118	145.7 Å²	145.7	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.3	147.7	151.4	-56.8	0	0	0	0	109.2
272	P	29	Very low	28.4	Very low	130 Å²	130	143.8 Å²	143.8	84%	0.844	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-97.6	149.3	-173	36.3	-34.4	0	0	0	115
273	G	29	Very low	28.6	Very low	78 Å²	78	145.3 Å²	145.3	80%	0.804	81%	0.808	S	S	*	*			trans	75.9	142.7	175.6	0	0	0	0	0	114.2
274	S	31.9	Very low	29	Very low	132 Å²	132	148 Å²	148	92%	0.923	81%	0.806	S	S	*	*			cis	-162.3	157.7	-11.7	42.6	0	0	0	0	105.7
275	G	28.5	Very low	29.1	Very low	61 Å²	61	150.4 Å²	150.4	63%	0.629	81%	0.813	S	S	*	*			cis	168	156.7	1.1	0	0	0	0	0	106.9
276	L	31.1	Very low	29.5	Very low	172 Å²	172	147.7 Å²	147.7	90%	0.901	81%	0.81	S	S	*	*			trans	72.3	127.8	-169.8	-46.7	166	0	0	0	112.5
277	S	27.4	Very low	29.8	Very low	99 Å²	99	141.4 Å²	141.4	69%	0.692	80%	0.803	S	S	*	*			cis	78.1	124.5	39.6	80.7	0	0	0	0	112.8
278	V	32.1	Very low	29.9	Very low	144 Å²	144	135.9 Å²	135.9	87%	0.873	80%	0.798	S	S	*	*			cis	-149.6	162.7	15	177.8	0	0	0	0	107.7
279	G	31.7	Very low	30.5	Very low	61 Å²	61	131.8 Å²	131.8	63%	0.629	79%	0.791	S	S	*	*			cis	146.7	160.8	-4.3	0	0	0	0	0	112.5
280	M	34.4	Very low	30.7	Very low	207 Å²	207	127.4 Å²	127.4	100%	1.02	78%	0.784	S	S	*	*			trans	66.1	147.6	-174.5	-65.6	-179.8	162.6	0	0	116.5
281	G	31.4	Very low	30.9	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	77%	0.774	S	S	*	*			cis	-167.1	172.5	-3	0	0	0	0	0	114.4
282	N	29.6	Very low	31.1	Very low	130 Å²	130	122.9 Å²	122.9	70%	0.695	77%	0.772	S	S	*	*			trans	-48.8	170	-172.5	-59.6	-2.3	0	0	0	117.1
283	F	30.5	Very low	31.1	Very low	176 Å²	176	123.1 Å²	123.1	77%	0.772	77%	0.772	S	S	*	*				-166.3	140.6	67.9	-95.4	-106.8	0	0	0	113.9
284	Y	33.1	Very low	31.4	Very low	180 Å²	180	125 Å²	125	71%	0.706	77%	0.769	S	S	*	*			trans	23.3	137.9	148.9	-55.6	-106	0	0	0	121.5
285	N	30.1	Very low	31.3	Very low	156 Å²	156	124.2 Å²	124.2	83%	0.834	76%	0.764	S	S	*	*			cis	88.1	121.6	35.5	-172.3	44.9	0	0	0	115.3
286	G	32.1	Very low	31.6	Very low	64 Å²	64	124.9 Å²	124.9	66%	0.66	77%	0.771	S	S	*	*			trans	150	96.9	166.6	0	0	0	0	0	119.6
287	S	34.3	Very low	31.8	Very low	111 Å²	111	121.8 Å²	121.8	78%	0.776	76%	0.764	S	S	*	*			trans	32.8	116	135	-52.4	0	0	0	0	124.4
288	S	29.5	Very low	32.2	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	77%	0.768	S	S	*	*				35.5	146.1	124.1	64.6	0	0	0	0	124.2
289	V	34.3	Very low	32.4	Very low	123 Å²	123	123.7 Å²	123.7	75%	0.745	77%	0.765	S	S	*	*			trans	150.9	112.5	130	163.9	0	0	0	0	114.6
290	I	31.1	Very low	32.6	Very low	156 Å²	156	125.1 Å²	125.1	80%	0.8	77%	0.765	S	S	*	*			trans	55.2	114.8	136.1	-57.3	-179.9	0	0	0	122.9
291	S	29.9	Very low	32.7	Very low	94 Å²	94	120.2 Å²	120.2	66%	0.657	76%	0.757	S	S	*	*			trans	89.5	143	133.2	-161.1	0	0	0	0	125
292	T	31.5	Very low	32.9	Very low	129 Å²	129	121.1 Å²	121.1	79%	0.791	76%	0.758	S	S	*	*			trans	66.2	116	148.5	31.7	0	0	0	0	122.7
293	V	29.5	Very low	33.1	Very low	136 Å²	136	123.5 Å²	123.5	82%	0.824	77%	0.769	S	S	*	*			trans	-82	156.5	156.3	-116	0	0	0	0	110.4
294	P	35.1	Very low	33.3	Very low	116 Å²	116	118.5 Å²	118.5	75%	0.753	77%	0.768	S	S	*	*				-152.6	150.6	90.5	39.8	-21.1	0	0	0	119.4
295	S	31	Very low	33.4	Very low	116 Å²	116	114.7 Å²	114.7	81%	0.811	77%	0.774	S	S	*	*			trans	61.5	126.8	141.3	61	0	0	0	0	124.7
296	G	33.9	Very low	33.7	Very low	76 Å²	76	113.5 Å²	113.5	78%	0.784	77%	0.772	S	S	*	*			trans	94.2	154	153.9	0	0	0	0	0	117.1
297	S	35.1	Very low	34	Very low	107 Å²	107	116.1 Å²	116.1	75%	0.748	78%	0.775	S	S	*	*			cis	-176.8	140.3	-24	41.2	0	0	0	0	110.5
298	S	37	Very low	34	Very low	112 Å²	112	116.6 Å²	116.6	78%	0.783	78%	0.778	S	S	*	*			trans	61.9	163.2	170.1	31.3	0	0	0	0	117.9
299	E	34.5	Very low	34.4	Very low	171 Å²	171	115.3 Å²	115.3	80%	0.799	77%	0.774	S	S	*	*			cis	-162.9	142.8	-27.6	-109.7	-158.9	67.4	0	0	108.8
300	S	36.8	Very low	34.4	Very low	91 Å²	91	116.9 Å²	116.9	64%	0.636	78%	0.779	S	S	*	*				96.3	141.4	83.5	89.5	0	0	0	0	116.9
301	A	36.8	Very low	34.7	Very low	103 Å²	103	115.9 Å²	115.9	85%	0.851	78%	0.779	S	S	*	*			trans	62.6	168.1	173.8	0	0	0	0	0	119.1
302	A	35.4	Very low	35.3	Very low	89 Å²	89	117.5 Å²	117.5	74%	0.736	79%	0.788	S	S	*	*			cis	-179.2	168.8	-31	0	0	0	0	0	109.1
303	L	34.3	Very low	35.6	Very low	180 Å²	180	115 Å²	115	94%	0.942	79%	0.787	S	S	*	*			cis	-168.8	162.3	-23.1	-102.1	171.6	0	0	0	111
304	G	34.7	Very low	35.7	Very low	71 Å²	71	118.5 Å²	118.5	73%	0.732	79%	0.792	S	S	*	*			trans	117.4	142.9	170.4	0	0	0	0	0	115.8
305	A	34.9	Very low	35.9	Very low	101 Å²	101	118.7 Å²	118.7	84%	0.835	79%	0.793	S	S	*	*			cis	93.6	141.2	27.1	0	0	0	0	0	113.7
306	V	36.9	Very low	36.1	Very low	131 Å²	131	116.2 Å²	116.2	79%	0.794	79%	0.785	S	S	*	*			cis	-155.8	-164.9	20.8	-70.6	0	0	0	0	111.5
307	T	37.5	Very low	36	Very low	119 Å²	119	118.7 Å²	118.7	73%	0.73	79%	0.786	S	S	*	*				-159.2	150.6	-66.4	45.9	0	0	0	0	113.3
308	S	34.5	Very low	35.8	Very low	121 Å²	121	124.3 Å²	124.3	85%	0.846	79%	0.791	S	S	*	*			trans	72.1	164.7	157.3	-40.9	0	0	0	0	119.9
309	A	37.3	Very low	35.4	Very low	80 Å²	80	125.5 Å²	125.5	66%	0.661	79%	0.793	S	S	*	*			cis	-159.9	178	5.8	0	0	0	0	0	115.6
310	D	35.3	Very low	35.1	Very low	156 Å²	156	121.5 Å²	121.5	83%	0.834	79%	0.789	S	S	*	*			trans	90	161.4	148.7	-57.8	-30.8	0	0	0	126.3
311	V	36.6	Very low	34.6	Very low	135 Å²	135	123.4 Å²	123.4	82%	0.818	80%	0.797	S	S	*	*			trans	-157	-162.8	-152.4	-128.3	0	0	0	0	111.7
312	P	43.2	Very low	34.2	Very low	128 Å²	128	123.3 Å²	123.3	83%	0.831	79%	0.79	S	S	*	*			cis	-129.4	-175.4	-40.8	39.9	-23	0	0	0	115.1
313	G	36.7	Very low	33.8	Very low	75 Å²	75	123.6 Å²	123.6	77%	0.773	79%	0.787	S	S	*	*			trans	-171.6	151.3	167.8	0	0	0	0	0	117.3
314	F	32.4	Very low	33.5	Very low	211 Å²	211	122.9 Å²	122.9	93%	0.925	78%	0.784	S	S	*	*			trans	-136.4	179.6	-177.1	-107.6	-105.3	0	0	0	109.7
315	P	39.1	Very low	33.1	Very low	119 Å²	119	122.6 Å²	122.6	77%	0.773	78%	0.781	S	S	*	*			cis	-136.4	-177	-0.1	42.5	-25.2	0	0	0	116.6
316	G	34.6	Very low	32.9	Very low	64 Å²	64	125.7 Å²	125.7	66%	0.66	78%	0.784	S	S	*	*			trans	133.1	101.6	135.7	0	0	0	0	0	123
317	T	32.3	Very low	32.5	Very low	129 Å²	129	125.6 Å²	125.6	79%	0.791	78%	0.783	S	S	*	*			trans	78.6	95.3	132.3	-40.7	0	0	0	0	123.6
318	R	31	Very low	32.2	Very low	225 Å²	225	127.1 Å²	127.1	85%	0.849	79%	0.787	S	S	*	*			trans	72.9	128.5	135.7	-64.5	-177.9	-176.4	-163.8	1.1	124.5
319	T	28.2	Very low	32	Very low	136 Å²	136	128.7 Å²	128.7	83%	0.834	79%	0.786	S	S	*	*			trans	84.3	131.7	138.1	41.8	0	0	0	0	123.9
320	A	28	Very low	31.5	Very low	87 Å²	87	128.2 Å²	128.2	72%	0.719	79%	0.789	S	S	*	*			trans	88.2	98.9	149.4	0	0	0	0	0	121.9
321	T	26.1	Very low	31.2	Very low	131 Å²	131	129.2 Å²	129.2	80%	0.804	79%	0.793	S	S	*	*			trans	71.1	145.1	134	48.4	0	0	0	0	123.9
322	S	28.5	Very low	30.8	Very low	101 Å²	101	128.5 Å²	128.5	71%	0.706	79%	0.794	S	S	*	*			trans	68.7	92.1	149.7	50.2	0	0	0	0	122.1
323	S	28.2	Very low	30.3	Very low	96 Å²	96	126.9 Å²	126.9	67%	0.671	79%	0.786	S	S	*	*				71.4	141.1	116.7	69.4	0	0	0	0	123.7
324	N	26.9	Very low	30.1	Very low	165 Å²	165	125.7 Å²	125.7	88%	0.882	77%	0.773	S	S	*	*			trans	83.2	132.3	154.7	-57.4	-27.7	0	0	0	118.8
325	G	27.4	Very low	30.2	Very low	64 Å²	64	123 Å²	123	66%	0.66	77%	0.768	S	S	*	*			trans	136.4	90.3	174	0	0	0	0	0	112.3
326	D	29.3	Very low	30.4	Very low	167 Å²	167	119.2 Å²	119.2	89%	0.893	74%	0.742	S	S	*	*				176.7	135.2	105.4	-90.8	-12	0	0	0	114.9
327	V	29.4	Very low	30.6	Very low	128 Å²	128	126.6 Å²	126.6	78%	0.776	75%	0.75	S	S	*	*			trans	-72.9	151.6	-175.3	-76.4	0	0	0	0	113.9
328	N	30.9	Very low	31.3	Very low	152 Å²	152	123.7 Å²	123.7	81%	0.813	74%	0.735	S	S	*	*				-156.8	160.3	123	-126.6	-45.6	0	0	0	114.6
329	N	31.2	Very low	32.4	Very low	154 Å²	154	113.6 Å²	113.6	82%	0.824	70%	0.699	S	S	*	*			trans	-80.6	161.5	179	-62.5	-66.9	0	0	0	111.5
330	G	27.3	Very low	33.2	Very low	70 Å²	70	115.6 Å²	115.6	72%	0.722	69%	0.691	S	S	*	*			cis	141.1	105.3	-4.4	0	0	0	0	0	112.4
331	L	28.8	Very low	34.1	Very low	177 Å²	177	115 Å²	115	93%	0.927	67%	0.67	S	S	*	*			trans	-151.8	144	167.2	-107	162.4	0	0	0	109.1	S333	L331-S333 PolarHBondContact O-N 3.45Å
332	S	27.4	Very low	34.6	Very low	120 Å²	120	112.9 Å²	112.9	84%	0.839	67%	0.666	S	S	*	*			trans	-76.6	104.6	-156.5	54.5	0	0	0	0	115.3
333	S	31.8	Very low	34.7	Very low	94 Å²	94	113 Å²	113	66%	0.657	66%	0.663	S	S	*	*			trans	-92.9	116.7	164.1	-172	0	0	0	0	111.5	L331 L335	L331-S333 PolarHBondContact O-N 3.45Å; S333-L335 PolarHBondContact O-N 3.45Å
334	G	32.6	Very low	34.7	Very low	50 Å²	50	114.3 Å²	114.3	52%	0.515	67%	0.672	S	S	.	*			trans	-85.4	98.4	-176	0	0	0	0	0	114	V336	G334-V336 PolarHBondContact O-N 2.85Å
335	L	36.1	Very low	34.8	Very low	155 Å²	155	109.9 Å²	109.9	81%	0.812	66%	0.658	S	S	*	*	S	Bend	trans	52.8	53.1	166.4	-67.2	96.5	0	0	0	116.7	S333	S333-L335 PolarHBondContact O-N 3.45Å
336	V	42.1	Very low	34.9	Very low	39 Å²	39	112.4 Å²	112.4	24%	0.236	67%	0.665	C	S	.	*			trans	-101.2	126.3	148.7	178	0	0	0	0	107.6	G334 I608	G334-V336 PolarHBondContact O-N 2.85Å; V336-I608 HydrophobicContact CG1-CB 3.91Å; V336-I608 HydrophobicContact CG1-CD1 3.63Å; V336-I608 HydrophobicContact CG1-CG1 4.39Å; V336-I608 HydrophobicContact CG1-CG2 3.82Å; V336-I608 HydrophobicContact CG2-CD1 4.45Å
337	R	39.4	Very low	34.9	Very low	218 Å²	218	110 Å²	110	82%	0.823	66%	0.657	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.5	127.3	179.6	-142.8	179.3	-164.4	-169.4	4.3	109.1	T339	R337-T339 PolarHBondContact O-N 3.04Å
338	S	46.1	Very low	34.9	Very low	68 Å²	68	110.7 Å²	110.7	48%	0.476	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-55.2	132	175.3	175.7	0	0	0	0	110.6	R340	S338-R340 PolarHBondContact O-N 3.37Å
339	T	54.1	Low	34.8	Very low	14 Å²	14	106.1 Å²	106.1	9%	0.086	64%	0.644	C	S	.	*			trans	-80.4	84.1	-171.9	-36.9	0	0	0	0	111.6	R337 P410 I411 L607 R609 F614	R337-T339 PolarHBondContact O-N 3.04Å; T339-P410 WeakPolarHBondContact O-CA 3.46Å; T339-I411 HydrophobicContact CG2-CD1 4.01Å; T339-I411 PolarHBondContact O-N 2.88Å; T339-I411 VanDerWaalsContact O-N 3.15Å; T339-L607 PolarHBondContact OG1-O 2.81Å; T339-L607 VanDerWaalsContact OG1-O 3.08Å; T339-R609 HydrophobicContact CG2-CB 4.14Å; T339-R609 WeakPolarHBondContact OG1-CB 3.39Å; T339-R609 PolarHBondContact OG1-N 3.27Å; T339-R609 VanDerWaalsContact OG1-N 3.17Å; T339-F614 HydrophobicContact CG2-CE1 3.72Å; T339-F614 HydrophobicContact CG2-CZ 4.41Å
340	R	46.6	Very low	34.7	Very low	177 Å²	177	100.9 Å²	100.9	67%	0.668	63%	0.626	S	S	*	*	B	Isolated β-bridge	trans	-79	141.5	167.8	-60.9	-174.6	179.9	-149.7	3	110.1	S338 A342 G408 K409	S338-R340 PolarHBondContact O-N 3.37Å; R340-A342 PolarHBondContact O-N 3.27Å; R340-G408 VanDerWaalsContact CD-O 3.24Å; R340-G408 WeakPolarHBondContact CD-O 3.36Å; R340-G408 VanDerWaalsContact CG-O 3.27Å; R340-G408 WeakPolarHBondContact CG-O 3.32Å; R340-K409 WeakPolarHBondContact CA-O 3.25Å
341	R	46.8	Very low	34.8	Very low	74 Å²	74	101.4 Å²	101.4	28%	0.279	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-55.2	123.7	170.4	177.9	174.2	170.3	-152.9	0.9	109.3	T343 D401 C403	R341-T343 PolarHBondContact O-N 2.82Å; R341-D401 PolarHBondContact NE-O 2.83Å; R341-D401 PolarHBondContact NH1-O 3.12Å; R341-D401 PolarHBondContact NH2-O 2.86Å; R341-C403 PolarHBondContact NH1-O 3.04Å
342	A	36.2	Very low	35	Very low	88 Å²	88	99.4 Å²	99.4	73%	0.727	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-71.3	124.6	174.4	0	0	0	0	0	109.1	R340 S344	R340-A342 PolarHBondContact O-N 3.27Å; A342-S344 PolarHBondContact O-N 3.23Å; A342-S344 VanDerWaalsContact O-N 3.13Å
343	T	29.9	Very low	35.1	Very low	104 Å²	104	99.3 Å²	99.3	64%	0.638	61%	0.608	S	S	*	*			trans	-77	97.8	-179.1	47.3	0	0	0	0	110.6	R341 A345	R341-T343 PolarHBondContact O-N 2.82Å; T343-A345 PolarHBondContact O-N 2.93Å
344	S	29.1	Very low	34.9	Very low	123 Å²	123	103.1 Å²	103.1	86%	0.86	62%	0.62	S	S	*	*			trans	-72.5	58	164.6	54.8	0	0	0	0	110.7	A342	A342-S344 PolarHBondContact O-N 3.23Å; A342-S344 VanDerWaalsContact O-N 3.13Å
345	A	28.6	Very low	34.6	Very low	71 Å²	71	106.7 Å²	106.7	59%	0.587	64%	0.637	S	S	*	*			trans	-139.4	71.2	-169.6	0	0	0	0	0	111.1	T343	T343-A345 PolarHBondContact O-N 2.93Å
346	S	29.4	Very low	34.1	Very low	117 Å²	117	102.1 Å²	102.1	82%	0.818	63%	0.627	S	S	*	*			trans	-150.4	62.7	162.3	-179.8	0	0	0	0	107.5
347	V	29.7	Very low	33.3	Very low	117 Å²	117	107.1 Å²	107.1	71%	0.709	66%	0.658	S	S	*	*				71.6	116.5	83.8	175.8	0	0	0	0	111.2
348	L	29.4	Very low	32.7	Very low	142 Å²	142	102 Å²	102	74%	0.743	66%	0.656	S	S	*	*			trans	82.1	86	174.4	-59.6	158.1	0	0	0	118.8	P216	P216-L348 WeakPolarHBondContact CB-O 3.43Å; P216-L348 WeakPolarHBondContact CG-O 3.38Å
349	G	29.2	Very low	31.8	Very low	56 Å²	56	102.8 Å²	102.8	58%	0.577	67%	0.674	S	S	*	*			trans	154.8	152.3	164.9	0	0	0	0	0	114.7	S217	S217-G349 WeakPolarHBondContact OG-CA 2.97Å
350	G	28.4	Very low	30.7	Very low	44 Å²	44	106.6 Å²	106.6	45%	0.454	70%	0.701	S	S	.	*			cis	90.9	146.4	-11.8	0	0	0	0	0	116.8	P216 S217	P216-G350 WeakPolarHBondContact CA-O 3.44Å; S217-G350 VanDerWaalsContact N-C 3.33Å; S217-G350 PolarHBondContact N-O 2.81Å
351	T	30.2	Very low	30.5	Very low	81 Å²	81	100.4 Å²	100.4	50%	0.497	68%	0.681	S	S	.	*			cis	-137.1	142.9	1.9	-32.3	0	0	0	0	112.4	S217	S217-T351 VanDerWaalsContact C-OG1 3.22Å; S217-T351 WeakPolarHBondContact CA-OG1 3.44Å; S217-T351 PolarHBondContact N-OG1 3.14Å; S217-T351 WeakPolarHBondContact O-CB 3.34Å; S217-T351 WeakPolarHBondContact O-CG2 3.13Å; S217-T351 PolarHBondContact O-OG1 2.73Å
352	T	31.6	Very low	30.4	Very low	135 Å²	135	99.9 Å²	99.9	83%	0.828	68%	0.682	S	S	*	*			trans	57.6	152	166.1	47.8	0	0	0	0	120.3
353	P	30.3	Very low	31.1	Very low	119 Å²	119	98.1 Å²	98.1	77%	0.773	67%	0.673	S	S	*	*			trans	-121.4	150.8	-154	39.1	-24.8	0	0	0	115.8
354	L	27.2	Very low	32.6	Very low	174 Å²	174	98.1 Å²	98.1	91%	0.911	66%	0.661	S	S	*	*			trans	-143.4	131.9	165.1	-102.7	162.7	0	0	0	111.5
355	S	25.6	Very low	34.6	Very low	125 Å²	125	92.8 Å²	92.8	87%	0.874	63%	0.625	S	S	*	*			trans	-11.4	136.8	169.3	-163.5	0	0	0	0	119.8
356	G	25.7	Very low	37	Very low	58 Å²	58	93.2 Å²	93.2	60%	0.598	61%	0.613	S	S	*	*			trans	134.3	92.1	150.6	0	0	0	0	0	118.5
357	T	25.6	Very low	39.7	Very low	144 Å²	144	89.3 Å²	89.3	88%	0.883	58%	0.583	S	S	*	*			trans	22.5	102.1	137.5	55	0	0	0	0	119.8
358	S	27.3	Very low	42.3	Very low	112 Å²	112	84.8 Å²	84.8	78%	0.783	56%	0.555	S	S	*	*			trans	-173.9	87.2	145.5	39.4	0	0	0	0	114.8
359	G	27.6	Very low	44.9	Very low	83 Å²	83	82.4 Å²	82.4	86%	0.856	55%	0.55	S	S	*	*			trans	-70.4	144.5	170.1	0	0	0	0	0	113.3
360	S	30.5	Very low	47.6	Very low	95 Å²	95	80.8 Å²	80.8	66%	0.664	53%	0.528	S	S	*	.			trans	-81.9	119.8	-170.5	54.6	0	0	0	0	115.6
361	D	42.5	Very low	50.3	Low	46 Å²	46	79.7 Å²	79.7	25%	0.246	52%	0.517	C	S	.	.			trans	-123.7	63.8	164.9	-172.8	39.7	0	0	0	112.3	R200	R200-D361 IonicContact NE-OD1 2.82Å; R200-D361 IonicContact NE-OD2 3.15Å; R200-D361 PolarHBondContact NE-OD2 2.77Å
362	E	44	Very low	53	Low	63 Å²	63	76.6 Å²	76.6	29%	0.294	50%	0.496	S	S	.	.			trans	-111.9	-25.4	170.4	-96.2	-168	92.5	0	0	113.5	T203 S204 R207 R364	T203-E362 WeakPolarHBondContact OG1-CG 3.35Å; S204-E362 WeakPolarHBondContact CA-OE1 3.41Å; S204-E362 WeakPolarHBondContact CB-OE1 3.33Å; R207-E362 WeakPolarHBondContact CD-OE2 3.45Å; R207-E362 IonicContact CZ-OE2 3.72Å; R207-E362 IonicContact NE-OE2 3.58Å; R207-E362 IonicContact NH1-OE2 3.53Å; R207-E362 PolarHBondContact NH1-OE2 3.36Å; E362-R364 PolarHBondContact O-N 3.09Å
363	G	51.7	Low	55.7	Low	52 Å²	52	70.3 Å²	70.3	54%	0.536	46%	0.458	S	S	.	.	S	Bend	trans	-72.3	-1.7	-169.5	0	0	0	0	0	115	N612	G363-N612 WeakPolarHBondContact O-CB 3.45Å
364	R	62	Low	58.2	Low	103 Å²	103	69 Å²	69	39%	0.389	44%	0.444	S	S	.	.	S	Bend	trans	-107.8	120.6	-163.9	-166.3	170.8	-176.1	124.5	9.6	112.6	R200 E362	R200-R364 PolarHBondContact NH1-O 2.81Å; E362-R364 PolarHBondContact O-N 3.09Å
365	A	70	Confident	61	Low	12 Å²	12	64.2 Å²	64.2	10%	0.099	42%	0.419	C	S	.	.			trans	-54.9	141.8	176.8	0	0	0	0	0	112.5	R200 L367 N612 S613	R200-A365 PolarHBondContact NH1-O 3.23Å; A365-L367 HydrophobicContact CB-CD2 4.37Å; A365-N612 HydrophobicContact CB-CB 4.11Å; A365-S613 WeakPolarHBondContact CB-OG 3.36Å
366	K	79.9	Confident	63.9	Low	79 Å²	79	59.9 Å²	59.9	34%	0.343	39%	0.385	S	S	.	.			trans	-73.3	128.6	173.4	-67.8	173.3	161.1	-118.9	0	109	D197 P373 I374	D197-K366 VanDerWaalsContact CB-NZ 3.33Å; D197-K366 PolarHBondContact O-NZ 2.7Å; D197-K366 WeakPolarHBondContact OD1-CD 3.25Å; D197-K366 VanDerWaalsContact OD1-CE 3.27Å; D197-K366 WeakPolarHBondContact OD1-CE 3.33Å; D197-K366 VanDerWaalsContact OD1-CG 3.27Å; D197-K366 WeakPolarHBondContact OD1-CG 3.46Å; D197-K366 IonicContact OD1-NZ 2.83Å; D197-K366 PolarHBondContact OD1-NZ 2.97Å; K366-P373 WeakPolarHBondContact O-CA 3.36Å; K366-I374 HydrophobicContact CB-CD1 3.94Å; K366-I374 HydrophobicContact CB-CG1 4.36Å; K366-I374 PolarHBondContact O-N 2.85Å
367	L	84.4	Confident	66.9	Low	36 Å²	36	57.3 Å²	57.3	19%	0.188	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-114.2	149	-175.8	-50.1	-177.5	0	0	0	109.8	A365 F372 P373	A365-L367 HydrophobicContact CB-CD2 4.37Å; L367-F372 CarbonylContact C-O 3.59Å; L367-F372 VanDerWaalsContact CA-O 3.26Å; L367-F372 WeakPolarHBondContact CA-O 3.31Å; L367-P373 HydrophobicContact CD2-CB 4.39Å; L367-P373 HydrophobicContact CD2-CG 4.09Å
368	N	84.7	Confident	69.9	Low	21 Å²	21	52.6 Å²	52.6	11%	0.112	33%	0.327	C	S	.	.			trans	-81.2	178.4	167.6	73	7.9	0	0	0	111.5	L370 G371 F372 Q441	N368-L370 PolarHBondContact O-N 2.83Å; N368-L370 VanDerWaalsContact O-N 3.07Å; N368-L370 PolarHBondContact OD1-N 3Å; N368-L370 VanDerWaalsContact OD1-N 3.07Å; N368-G371 PolarHBondContact O-N 3.11Å; N368-G371 PolarHBondContact OD1-N 3.4Å; N368-F372 PolarHBondContact N-O 3.04Å; N368-F372 PolarHBondContact OD1-N 2.89Å; N368-F372 PolarHBondContact OD1-O 2.51Å; N368-Q441 PolarHBondContact ND2-NE2 2.95Å
369	S	85.2	Confident	72.8	Confident	93 Å²	93	48 Å²	48	65%	0.65	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.5	179.5	51.8	0	0	0	0	115.1
370	L	85.1	Confident	75.3	Confident	21 Å²	21	49.3 Å²	49.3	11%	0.11	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	10.5	178.7	-70.4	163.8	0	0	0	112.7	N368 F372 Q423 V425 Q441	N368-L370 PolarHBondContact O-N 2.83Å; N368-L370 VanDerWaalsContact O-N 3.07Å; N368-L370 PolarHBondContact OD1-N 3Å; N368-L370 VanDerWaalsContact OD1-N 3.07Å; L370-F372 VanDerWaalsContact C-N 3.28Å; L370-F372 HydrophobicContact CB-CD2 4.05Å; L370-F372 HydrophobicContact CB-CE2 4.47Å; L370-F372 PolarHBondContact O-N 2.87Å; L370-Q423 HydrophobicContact CD2-CB 4.42Å; L370-Q423 HydrophobicContact CD2-CG 4.42Å; L370-V425 HydrophobicContact CD1-CG1 3.97Å; L370-V425 HydrophobicContact CD1-CG2 4.41Å; L370-Q441 HydrophobicContact CD1-CB 4.43Å; L370-Q441 VanDerWaalsContact CD1-NE2 3.3Å
371	G	84.4	Confident	77.4	Confident	21 Å²	21	51.7 Å²	51.7	22%	0.216	28%	0.277	C	S	.	.	S	Bend	trans	80.5	-2.6	177.1	0	0	0	0	0	115.2	N368	N368-G371 PolarHBondContact O-N 3.11Å; N368-G371 PolarHBondContact OD1-N 3.4Å
372	F	87.3	Confident	79.3	Confident	16 Å²	16	50.7 Å²	50.7	7%	0.07	28%	0.278	C	S	.	.			trans	-75.2	141.4	177.9	-73.1	-83	0	0	0	111.6	L367 N368 L370 I374 L387 F419 C421 V425 L428 T456	L367-F372 CarbonylContact C-O 3.59Å; L367-F372 VanDerWaalsContact CA-O 3.26Å; L367-F372 WeakPolarHBondContact CA-O 3.31Å; N368-F372 PolarHBondContact N-O 3.04Å; N368-F372 PolarHBondContact OD1-N 2.89Å; N368-F372 PolarHBondContact OD1-O 2.51Å; L370-F372 VanDerWaalsContact C-N 3.28Å; L370-F372 HydrophobicContact CB-CD2 4.05Å; L370-F372 HydrophobicContact CB-CE2 4.47Å; L370-F372 PolarHBondContact O-N 2.87Å; F372-I374 PolarHBondContact O-N 2.76Å; F372-L387 HydrophobicContact CD1-CD2 3.64Å; F372-L387 HydrophobicContact CE1-CD2 4.07Å; F372-F419 HydrophobicContact CD1-CE1 4.39Å; F372-F419 HydrophobicContact CE1-CD1 4.28Å; F372-F419 HydrophobicContact CE1-CE1 4.2Å; F372-F419 HydrophobicContact CE2-CE1 4.42Å; F372-F419 HydrophobicContact CZ-CE1 4.22Å; F372-C421 HydrophobicContact CE2-CB 3.8Å; F372-C421 HydrophobicContact CZ-CB 3.85Å; F372-V425 HydrophobicContact CE2-CG2 4.4Å; F372-L428 HydrophobicContact CB-CD1 4Å; F372-L428 HydrophobicContact CG-CD1 4.47Å; F372-T456 HydrophobicContact CE2-CG2 4.34Å; F372-T456 HydrophobicContact CZ-CG2 3.78Å
373	P	87.8	Confident	81.5	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.026	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-58.2	127.2	169.6	-24.3	35.3	0	0	0	111.9	K366 L367 D375 H376 L387 S613	K366-P373 WeakPolarHBondContact O-CA 3.36Å; L367-P373 HydrophobicContact CD2-CB 4.39Å; L367-P373 HydrophobicContact CD2-CG 4.09Å; P373-D375 WeakPolarHBondContact CB-O 3.41Å; P373-D375 PolarHBondContact O-N 2.84Å; P373-H376 PolarHBondContact O-ND1 2.7Å; P373-L387 HydrophobicContact CG-CD1 3.86Å; P373-L387 HydrophobicContact CG-CD2 4.36Å; P373-S613 VanDerWaalsContact CB-OG 3.31Å; P373-S613 WeakPolarHBondContact CB-OG 3.35Å; P373-S613 WeakPolarHBondContact CG-OG 3.34Å
374	I	84.7	Confident	83.3	Confident	92 Å²	92	50.7 Å²	50.7	47%	0.472	26%	0.259	S	S	.	.	S	Bend	trans	-56.6	-44.4	171.1	-58.2	179.4	0	0	0	108.7	K366 F372 H376	K366-I374 HydrophobicContact CB-CD1 3.94Å; K366-I374 HydrophobicContact CB-CG1 4.36Å; K366-I374 PolarHBondContact O-N 2.85Å; F372-I374 PolarHBondContact O-N 2.76Å; I374-H376 PolarHBondContact O-CE1 3.33Å; I374-H376 PolarHBondContact O-N 2.89Å; I374-H376 PolarHBondContact O-ND1 3.13Å
375	D	84.9	Confident	84.8	Confident	73 Å²	73	46.4 Å²	46.4	39%	0.39	24%	0.243	S	C	.	.	S	Bend	trans	-89.4	91.9	170.2	-91.5	-36.3	0	0	0	111	P373 R611	P373-D375 WeakPolarHBondContact CB-O 3.41Å; P373-D375 PolarHBondContact O-N 2.84Å; D375-R611 HydrophobicContact CB-CB 3.84Å; D375-R611 HydrophobicContact CB-CG 4.31Å; D375-R611 WeakPolarHBondContact OD1-CD 3.37Å; D375-R611 IonicContact OD1-CZ 2.74Å; D375-R611 IonicContact OD1-NE 2.73Å; D375-R611 IonicContact OD1-NH1 3.44Å; D375-R611 PolarHBondContact OD1-NH1 3.49Å; D375-R611 WeakPolarHBondContact OD2-CD 3.35Å; D375-R611 IonicContact OD2-NH1 2.73Å; D375-R611 PolarHBondContact OD2-NH1 2.85Å
376	H	86.3	Confident	85.9	Confident	33 Å²	33	47.2 Å²	47.2	15%	0.153	25%	0.246	C	C	.	.			trans	-110.6	152.1	-178.5	46.7	-84.1	0	0	0	113.4	P373 I374 L428 R431 F610 Y615	P373-H376 PolarHBondContact O-ND1 2.7Å; I374-H376 PolarHBondContact O-CE1 3.33Å; I374-H376 PolarHBondContact O-N 2.89Å; I374-H376 PolarHBondContact O-ND1 3.13Å; H376-L428 PolarHBondContact CD2-O 2.98Å; H376-L428 PolarHBondContact NE2-O 2.97Å; H376-R431 PolarHBondContact CE1-NH2 3.41Å; H376-R431 PolarHBondContact NE2-NH2 2.96Å; H376-F610 VanDerWaalsContact C-CE1 3.47Å; H376-F610 WeakPolarHBondContact O-CE1 3.29Å; H376-Y615 VanDerWaalsContact CA-OH 3.3Å; H376-Y615 WeakPolarHBondContact CA-OH 3.29Å
377	A	89.9	Confident	86.6	Confident	5 Å²	5	44.4 Å²	44.4	4%	0.041	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-70.3	135.1	163.1	0	0	0	0	0	109.6	Y385 S429 F610 Y615	A377-Y385 HydrophobicContact CB-CD2 3.96Å; A377-Y385 HydrophobicContact CB-CG 3.85Å; A377-S429 VanDerWaalsContact O-CB 3.23Å; A377-S429 WeakPolarHBondContact O-CB 3.39Å; A377-F610 HydrophobicContact CB-CD1 4.28Å; A377-F610 HydrophobicContact CB-CG 4.36Å; A377-Y615 HydrophobicContact CB-CD1 4.28Å; A377-Y615 HydrophobicContact CB-CD2 4.27Å; A377-Y615 HydrophobicContact CB-CE1 4.09Å; A377-Y615 HydrophobicContact CB-CE2 4.07Å; A377-Y615 HydrophobicContact CB-CG 4.4Å; A377-Y615 PolarHBondContact N-OH 3.37Å
378	L	87.7	Confident	87.1	Confident	44 Å²	44	43.2 Å²	43.2	23%	0.23	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-101.7	136.2	174.8	-75.2	160.3	0	0	0	109.3	Y385 L428 R431	L378-Y385 VanDerWaalsContact O-CD2 3.31Å; L378-Y385 WeakPolarHBondContact O-CD2 3.4Å; L378-Y385 WeakPolarHBondContact O-CE2 3.36Å; L378-L428 WeakPolarHBondContact CD2-O 3.25Å; L378-R431 HydrophobicContact CD2-CG 3.91Å
379	N	87.6	Confident	87.5	Confident	16 Å²	16	45.4 Å²	45.4	9%	0.086	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-61.8	142.4	176	-70.1	-15.1	0	0	0	110.6	R384 Y385 S429 D430 L490	N379-R384 HydrophobicContact CB-CG 4.42Å; N379-R384 WeakPolarHBondContact OD1-CA 3.31Å; N379-Y385 PolarHBondContact OD1-N 3.14Å; N379-S429 PolarHBondContact N-O 3.2Å; N379-D430 PolarHBondContact ND2-OD1 2.7Å; N379-L490 HydrophobicContact CB-CD1 3.99Å
380	K	80.6	Confident	87.9	Confident	111 Å²	111	44.8 Å²	44.8	48%	0.483	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-133	162.6	-175.9	-68.1	172	-170.8	168.1	0	110	G382 Y383	K380-G382 PolarHBondContact O-N 3.03Å; K380-G382 VanDerWaalsContact O-N 3.14Å; K380-Y383 PolarHBondContact N-O 2.88Å; K380-Y383 CarbonylContact O-C 3.31Å; K380-Y383 PolarHBondContact O-N 3.27Å
381	E	75.8	Confident	88.3	Confident	144 Å²	144	44.5 Å²	44.5	67%	0.673	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	121.7	175.7	-61.3	-172.5	143	0	0	110.2	N489	E381-N489 PolarHBondContact OE1-ND2 2.97Å
382	G	81.9	Confident	88.6	Confident	26 Å²	26	51.6 Å²	51.6	27%	0.268	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-3.9	-176.1	0	0	0	0	0	116.5	K380 K619 D620	K380-G382 PolarHBondContact O-N 3.03Å; K380-G382 VanDerWaalsContact O-N 3.14Å; G382-K619 CarbonylContact O-C 3.6Å; G382-K619 WeakPolarHBondContact O-CA 3.48Å; G382-K619 WeakPolarHBondContact O-CG 3.34Å; G382-D620 PolarHBondContact O-N 3.2Å
383	Y	89.1	Confident	88.8	Confident	100 Å²	100	57 Å²	57	39%	0.392	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	119.5	-178.6	-74.3	-87.4	0	0	0	114	K380 E617 E618 K619	K380-Y383 PolarHBondContact N-O 2.88Å; K380-Y383 CarbonylContact O-C 3.31Å; K380-Y383 PolarHBondContact O-N 3.27Å; Y383-E617 HydrophobicContact CD1-CG 3.98Å; Y383-E617 HydrophobicContact CE1-CG 4.38Å; Y383-E618 CarbonylContact C-O 3.39Å; Y383-E618 WeakPolarHBondContact CA-O 3.26Å; Y383-K619 HydrophobicContact CE1-CB 4.41Å; Y383-K619 HydrophobicContact CE1-CG 4.41Å
384	R	90.4	Very high	88.9	Confident	14 Å²	14	57.3 Å²	57.3	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.8	169.4	-79.5	-176.2	-72.4	114.5	6	111.5	N379 E618 D620	N379-R384 HydrophobicContact CB-CG 4.42Å; N379-R384 WeakPolarHBondContact OD1-CA 3.31Å; R384-E618 IonicContact CZ-OE2 3.65Å; R384-E618 PolarHBondContact N-O 2.88Å; R384-E618 IonicContact NH1-OE2 2.69Å; R384-E618 PolarHBondContact NH1-OE2 3.35Å; R384-E618 IonicContact NH2-OE1 2.78Å; R384-E618 IonicContact NH2-OE2 3.49Å; R384-E618 PolarHBondContact NH2-OE2 2.9Å; R384-E618 PolarHBondContact O-N 3.4Å; R384-D620 WeakPolarHBondContact CG-OD2 3.28Å; R384-D620 IonicContact CZ-OD1 3.55Å; R384-D620 VanDerWaalsContact NE-CG 3.32Å; R384-D620 IonicContact NE-OD1 3.47Å; R384-D620 PolarHBondContact NE-OD1 2.81Å; R384-D620 IonicContact NE-OD2 2.8Å; R384-D620 PolarHBondContact NE-OD2 3.18Å; R384-D620 IonicContact NH2-OD1 2.79Å; R384-D620 PolarHBondContact NH2-OD1 2.99Å
385	Y	93.1	Very high	89.2	Confident	14 Å²	14	56 Å²	56	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	99.8	179	-55.5	-68.1	0	0	0	109.7	A377 L378 N379 I608 F616 E617	A377-Y385 HydrophobicContact CB-CD2 3.96Å; A377-Y385 HydrophobicContact CB-CG 3.85Å; L378-Y385 VanDerWaalsContact O-CD2 3.31Å; L378-Y385 WeakPolarHBondContact O-CD2 3.4Å; L378-Y385 WeakPolarHBondContact O-CE2 3.36Å; N379-Y385 PolarHBondContact OD1-N 3.14Å; Y385-I608 HydrophobicContact CD1-CD1 3.45Å; Y385-I608 VanDerWaalsContact CD1-CD1 3.45Å; Y385-I608 HydrophobicContact CE1-CD1 3.7Å; Y385-I608 HydrophobicContact CG-CD1 4.48Å; Y385-F616 WeakPolarHBondContact CA-O 3.27Å; Y385-E617 HydrophobicContact CD1-CB 4.46Å; Y385-E617 HydrophobicContact CD1-CG 4.33Å; Y385-E617 HydrophobicContact CE1-CG 3.95Å
386	I	93.3	Very high	89.4	Confident	28 Å²	28	53.1 Å²	53.1	14%	0.144	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.4	-176.2	-57	169.4	0	0	0	107.9	V418 Y602 Y615 F616	I386-V418 HydrophobicContact CG2-CB 4.49Å; I386-V418 HydrophobicContact CG2-CG1 3.87Å; I386-V418 HydrophobicContact CG2-CG2 4.07Å; I386-Y602 HydrophobicContact CD1-CD1 3.53Å; I386-Y602 HydrophobicContact CD1-CD2 3.91Å; I386-Y602 HydrophobicContact CD1-CE1 3.41Å; I386-Y602 VanDerWaalsContact CD1-CE1 3.41Å; I386-Y602 HydrophobicContact CD1-CE2 3.81Å; I386-Y602 HydrophobicContact CD1-CG 3.78Å; I386-Y615 CarbonylContact O-C 3.52Å; I386-Y615 WeakPolarHBondContact O-CA 3.3Å; I386-Y615 WeakPolarHBondContact O-CB 3.43Å; I386-F616 HydrophobicContact CB-CB 4.37Å; I386-F616 PolarHBondContact N-O 3.4Å; I386-F616 PolarHBondContact O-N 2.69Å
387	L	94.4	Very high	89.6	Confident	20 Å²	20	55.2 Å²	55.2	11%	0.105	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	137.1	179.8	179.5	63.6	0	0	0	110.1	F372 P373 F419 Y615	F372-L387 HydrophobicContact CD1-CD2 3.64Å; F372-L387 HydrophobicContact CE1-CD2 4.07Å; P373-L387 HydrophobicContact CG-CD1 3.86Å; P373-L387 HydrophobicContact CG-CD2 4.36Å; L387-F419 HydrophobicContact CB-CB 4.33Å; L387-F419 HydrophobicContact CD2-CB 4.14Å; L387-F419 HydrophobicContact CD2-CD1 3.58Å; L387-F419 HydrophobicContact CD2-CE1 4.2Å; L387-F419 HydrophobicContact CD2-CG 3.96Å; L387-F419 HydrophobicContact CG-CB 3.86Å; L387-F419 HydrophobicContact CG-CD1 4.26Å; L387-F419 HydrophobicContact CG-CG 4.22Å; L387-F419 PolarHBondContact O-N 2.67Å; L387-Y615 HydrophobicContact CB-CD1 4.14Å; L387-Y615 HydrophobicContact CB-CE1 3.88Å; L387-Y615 HydrophobicContact CD1-CD1 4.35Å; L387-Y615 HydrophobicContact CD1-CE1 3.78Å; L387-Y615 HydrophobicContact CG-CE1 4.42Å
388	V	94.8	Very high	89.4	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.9	-178.7	-62	0	0	0	0	113.5	Y416 R417 L607 F614 F616	V388-Y416 HydrophobicContact CB-CD1 4.27Å; V388-Y416 HydrophobicContact CG2-CD1 3.65Å; V388-Y416 HydrophobicContact CG2-CE1 4.5Å; V388-Y416 HydrophobicContact CG2-CG 4.15Å; V388-R417 CarbonylContact C-O 3.53Å; V388-R417 WeakPolarHBondContact CA-O 3.49Å; V388-R417 WeakPolarHBondContact CB-O 3.31Å; V388-R417 WeakPolarHBondContact CG1-O 3.36Å; V388-L607 HydrophobicContact CG2-CD1 3.79Å; V388-F614 HydrophobicContact CG2-CB 3.6Å; V388-F614 WeakPolarHBondContact CG2-O 3.38Å; V388-F614 PolarHBondContact N-O 2.84Å; V388-F616 HydrophobicContact CG1-CB 4.44Å; V388-F616 HydrophobicContact CG1-CD1 4.05Å; V388-F616 HydrophobicContact CG1-CD2 3.26Å; V388-F616 HydrophobicContact CG1-CE1 4.09Å; V388-F616 HydrophobicContact CG1-CE2 3.36Å; V388-F616 HydrophobicContact CG1-CG 3.64Å; V388-F616 HydrophobicContact CG1-CZ 3.79Å
389	E	93.2	Very high	89.5	Confident	68 Å²	68	63.9 Å²	63.9	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	156.9	166.8	58.3	166.1	-152.2	0	0	111.3	D391 Y416 R417	E389-D391 PolarHBondContact O-N 3.04Å; E389-Y416 VanDerWaalsContact O-CA 3.32Å; E389-Y416 WeakPolarHBondContact O-CA 3.48Å; E389-Y416 WeakPolarHBondContact O-CD1 3.47Å; E389-R417 HydrophobicContact CG-CG 3.98Å; E389-R417 PolarHBondContact N-O 3.49Å; E389-R417 PolarHBondContact O-N 2.93Å; E389-R417 IonicContact OE1-CZ 3.74Å; E389-R417 IonicContact OE1-NE 3.71Å; E389-R417 PolarHBondContact OE1-NE 2.89Å; E389-R417 IonicContact OE1-NH2 3.91Å; E389-R417 PolarHBondContact OE1-NH2 2.92Å
390	P	93.6	Very high	89.5	Confident	80 Å²	80	63.5 Å²	63.5	52%	0.519	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	130.4	175.1	-19.8	32.6	0	0	0	111.2	Y416	P390-Y416 HydrophobicContact CB-CE1 4.38Å; P390-Y416 HydrophobicContact CG-CD1 4.48Å; P390-Y416 HydrophobicContact CG-CE1 3.97Å
391	D	94.3	Very high	89.8	Confident	14 Å²	14	60.7 Å²	60.7	8%	0.075	30%	0.303	C	S	.	.			trans	-85.5	117.4	-179.4	-171.5	5.7	0	0	0	111.3	E389 H393 A394 F415 R417 K603	E389-D391 PolarHBondContact O-N 3.04Å; D391-H393 PolarHBondContact O-N 3.26Å; D391-H393 IonicContact OD1-CD2 3.78Å; D391-H393 PolarHBondContact OD1-N 3.33Å; D391-H393 VanDerWaalsContact OD1-N 3.15Å; D391-A394 HydrophobicContact CB-CB 4.21Å; D391-A394 PolarHBondContact O-N 3.44Å; D391-F415 PolarHBondContact N-O 2.95Å; D391-R417 HydrophobicContact CB-CB 4.24Å; D391-R417 HydrophobicContact CB-CG 4.07Å; D391-R417 IonicContact OD1-CZ 3.72Å; D391-R417 IonicContact OD1-NH1 2.83Å; D391-R417 PolarHBondContact OD1-NH1 3.12Å; D391-K603 IonicContact OD2-NZ 3.26Å; D391-K603 PolarHBondContact OD2-NZ 3.26Å
392	K	90.4	Very high	90.4	Very high	170 Å²	170	60.2 Å²	60.2	74%	0.739	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14	-179.3	-61	-174.3	-179.9	-176.4	0	113.9
393	H	90.9	Very high	90.6	Very high	130 Å²	130	60.1 Å²	60.1	60%	0.602	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-6.6	-178.1	-55	-72.4	0	0	0	113.2	D391 S395 L710	D391-H393 PolarHBondContact O-N 3.26Å; D391-H393 IonicContact OD1-CD2 3.78Å; D391-H393 PolarHBondContact OD1-N 3.33Å; D391-H393 VanDerWaalsContact OD1-N 3.15Å; H393-S395 PolarHBondContact O-N 2.75Å; H393-L710 HydrophobicContact CB-CD1 3.6Å
394	A	91.2	Very high	90.4	Very high	10 Å²	10	63 Å²	63	8%	0.083	31%	0.312	C	S	.	.			trans	-78.7	103.1	176.4	0	0	0	0	0	111.2	D391 F414 F415 L710	D391-A394 HydrophobicContact CB-CB 4.21Å; D391-A394 PolarHBondContact O-N 3.44Å; A394-F414 HydrophobicContact CB-CD1 4.04Å; A394-F414 HydrophobicContact CB-CE1 3.95Å; A394-F414 WeakPolarHBondContact CB-O 3.03Å; A394-F415 HydrophobicContact CB-CD1 4.09Å; A394-L710 HydrophobicContact CB-CD2 4.02Å
395	S	90.1	Very high	90.1	Very high	66 Å²	66	66.6 Å²	66.6	46%	0.462	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	163.5	174.3	57.5	0	0	0	0	112.6	H393 R397 F415	H393-S395 PolarHBondContact O-N 2.75Å; S395-R397 PolarHBondContact O-N 2.86Å; S395-F415 WeakPolarHBondContact O-CE1 3.37Å
396	G	89.2	Confident	89.7	Confident	12 Å²	12	66 Å²	66	12%	0.124	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-0.9	175	0	0	0	0	0	115.8	Q399 W400 I717	G396-Q399 PolarHBondContact O-N 2.8Å; G396-Q399 PolarHBondContact O-OE1 2.84Å; G396-W400 WeakPolarHBondContact O-CB 3.44Å; G396-W400 PolarHBondContact O-N 2.93Å; G396-I717 WeakPolarHBondContact O-CG2 3.36Å
397	R	89.7	Confident	89	Confident	76 Å²	76	66.7 Å²	66.7	29%	0.287	34%	0.336	S	S	.	.	H	α-helix	trans	-67.1	-41	-172.4	178	57.4	-161.6	-101.3	-1.1	113.7	S395 W400 D401 F415	S395-R397 PolarHBondContact O-N 2.86Å; R397-W400 PolarHBondContact O-N 2.89Å; R397-D401 IonicContact CZ-OD2 3.79Å; R397-D401 IonicContact NE-OD1 3.62Å; R397-D401 IonicContact NE-OD2 3.93Å; R397-D401 PolarHBondContact NE-OD2 2.95Å; R397-D401 IonicContact NH2-OD1 3.63Å; R397-D401 IonicContact NH2-OD2 2.67Å; R397-D401 PolarHBondContact NH2-OD2 2.87Å; R397-D401 PolarHBondContact O-N 2.99Å; R397-F415 HydrophobicContact CB-CD1 3.73Å; R397-F415 HydrophobicContact CB-CE1 3.68Å; R397-F415 HydrophobicContact CB-CG 4.43Å; R397-F415 HydrophobicContact CB-CZ 4.31Å; R397-F415 HydrophobicContact CG-CD1 4.27Å; R397-F415 HydrophobicContact CG-CE1 4.48Å
398	E	87.1	Confident	88.3	Confident	132 Å²	132	66.9 Å²	66.9	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-66.3	-49.7	176.9	-172.8	164.9	-131.3	0	0	109.9	W400 D401 E402	E398-W400 PolarHBondContact O-N 3.4Å; E398-D401 CarbonylContact O-C 3.48Å; E398-D401 PolarHBondContact O-N 2.99Å; E398-E402 HydrophobicContact CG-CG 4.48Å; E398-E402 WeakPolarHBondContact O-CB 3.29Å; E398-E402 WeakPolarHBondContact O-CG 3.31Å; E398-E402 PolarHBondContact O-N 3.43Å
399	Q	88.8	Confident	87.8	Confident	100 Å²	100	70.4 Å²	70.4	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-58.1	-35.2	176.9	-60.7	77.1	11.6	0	0	112.4	G396 C403 I721	G396-Q399 PolarHBondContact O-N 2.8Å; G396-Q399 PolarHBondContact O-OE1 2.84Å; Q399-C403 VanDerWaalsContact O-CB 3.26Å; Q399-C403 WeakPolarHBondContact O-CB 3.3Å; Q399-C403 PolarHBondContact O-N 2.97Å; Q399-C403 VanDerWaalsContact O-N 3.16Å; Q399-I721 HydrophobicContact CB-CD1 4.22Å
400	W	88.4	Confident	87.5	Confident	7 Å²	7	70.6 Å²	70.6	3%	0.027	37%	0.365	C	S	.	.	H	α-helix	trans	-70.1	-42.4	173.9	179.3	-85.2	0	0	0	112.9	G396 R397 E398 T406 K409 P412 F415 I717 T720 I721	G396-W400 WeakPolarHBondContact O-CB 3.44Å; G396-W400 PolarHBondContact O-N 2.93Å; R397-W400 PolarHBondContact O-N 2.89Å; E398-W400 PolarHBondContact O-N 3.4Å; W400-T406 HydrophobicContact CD2-CG2 3.67Å; W400-T406 HydrophobicContact CE3-CG2 3.59Å; W400-T406 HydrophobicContact CG-CG2 4.28Å; W400-T406 HydrophobicContact CH2-CG2 3.98Å; W400-T406 HydrophobicContact CZ2-CG2 4.05Å; W400-T406 HydrophobicContact CZ3-CG2 3.76Å; W400-T406 WeakPolarHBondContact O-CB 3.35Å; W400-T406 PolarHBondContact O-OG1 3.07Å; W400-K409 HydrophobicContact CH2-CB 4.49Å; W400-K409 HydrophobicContact CZ2-CB 4.11Å; W400-P412 HydrophobicContact CD2-CG 4.18Å; W400-P412 VanDerWaalsContact CE2-CD 3.46Å; W400-P412 HydrophobicContact CE3-CG 4.21Å; W400-P412 HydrophobicContact CH2-CG 3.86Å; W400-P412 VanDerWaalsContact CZ2-CD 3.49Å; W400-P412 HydrophobicContact CZ2-CG 3.81Å; W400-P412 HydrophobicContact CZ3-CG 4.06Å; W400-F415 HydrophobicContact CB-CE2 3.84Å; W400-F415 HydrophobicContact CB-CZ 3.62Å; W400-F415 AromaticContact CD1-CE2 3.84Å; W400-F415 HydrophobicContact CD2-CE2 4.05Å; W400-F415 HydrophobicContact CD2-CZ 4.45Å; W400-F415 AromaticContact CG-CE2 3.59Å; W400-F415 HydrophobicContact CG-CE2 3.59Å; W400-F415 AromaticContact CG-CZ 3.89Å; W400-F415 HydrophobicContact CG-CZ 3.89Å; W400-I717 HydrophobicContact CB-CG2 4.29Å; W400-I717 HydrophobicContact CE3-CG2 4.32Å; W400-T720 HydrophobicContact CH2-CG2 4.09Å; W400-T720 HydrophobicContact CZ3-CG2 3.71Å; W400-I721 HydrophobicContact CE3-CD1 4.44Å; W400-I721 HydrophobicContact CE3-CG1 3.86Å; W400-I721 HydrophobicContact CZ3-CG1 4.29Å
401	D	86.8	Confident	87.2	Confident	53 Å²	53	67.6 Å²	67.6	28%	0.283	34%	0.344	S	S	.	.	H	α-helix	trans	-78.7	-20.9	179.9	-80	-11.9	0	0	0	113	R341 R397 E398	R341-D401 PolarHBondContact NE-O 2.83Å; R341-D401 PolarHBondContact NH1-O 3.12Å; R341-D401 PolarHBondContact NH2-O 2.86Å; R397-D401 IonicContact CZ-OD2 3.79Å; R397-D401 IonicContact NE-OD1 3.62Å; R397-D401 IonicContact NE-OD2 3.93Å; R397-D401 PolarHBondContact NE-OD2 2.95Å; R397-D401 IonicContact NH2-OD1 3.63Å; R397-D401 IonicContact NH2-OD2 2.67Å; R397-D401 PolarHBondContact NH2-OD2 2.87Å; R397-D401 PolarHBondContact O-N 2.99Å; E398-D401 CarbonylContact O-C 3.48Å; E398-D401 PolarHBondContact O-N 2.99Å
402	E	87.4	Confident	87	Confident	133 Å²	133	67.9 Å²	67.9	62%	0.621	35%	0.347	S	S	*	.	H	α-helix	trans	-79	-46.5	172.4	-72.7	-174.4	137.9	0	0	112.1	E398 E404	E398-E402 HydrophobicContact CG-CG 4.48Å; E398-E402 WeakPolarHBondContact O-CB 3.29Å; E398-E402 WeakPolarHBondContact O-CG 3.31Å; E398-E402 PolarHBondContact O-N 3.43Å; E402-E404 PolarHBondContact O-N 2.87Å
403	C	86.2	Confident	87	Confident	24 Å²	24	60.1 Å²	60.1	16%	0.162	32%	0.315	C	S	.	.			trans	-52.6	133.4	-172.3	-176	0	0	0	0	113.3	R341 Q399 F405 T406 I721	R341-C403 PolarHBondContact NH1-O 3.04Å; Q399-C403 VanDerWaalsContact O-CB 3.26Å; Q399-C403 WeakPolarHBondContact O-CB 3.3Å; Q399-C403 PolarHBondContact O-N 2.97Å; Q399-C403 VanDerWaalsContact O-N 3.16Å; C403-F405 PolarHBondContact SG-N 3.21Å; C403-T406 HydrophobicContact CB-CG2 3.85Å; C403-T406 PolarHBondContact O-OG1 2.94Å; C403-I721 HydrophobicContact CB-CG2 4.48Å
404	E	85.1	Confident	87.1	Confident	161 Å²	161	54.1 Å²	54.1	75%	0.752	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-70.5	-36.2	177.8	-61	-169.3	153.1	0	0	112.1	E402 T406 A407	E402-E404 PolarHBondContact O-N 2.87Å; E404-T406 PolarHBondContact O-N 3.04Å; E404-A407 WeakPolarHBondContact O-CB 3.11Å; E404-A407 PolarHBondContact O-N 3.07Å
405	F	84.6	Confident	87.2	Confident	90 Å²	90	53.8 Å²	53.8	40%	0.395	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-71	-13.2	-177.1	-51.8	-63.9	0	0	0	114.1	C403 K409 C724 T725 P726	C403-F405 PolarHBondContact SG-N 3.21Å; F405-K409 WeakPolarHBondContact O-CE 3.46Å; F405-C724 HydrophobicContact CB-CB 3.95Å; F405-T725 HydrophobicContact CD2-CG2 4.09Å; F405-T725 WeakPolarHBondContact CD2-OG1 3.39Å; F405-T725 HydrophobicContact CE2-CG2 3.8Å; F405-T725 HydrophobicContact CZ-CG2 4.27Å; F405-P726 HydrophobicContact CD1-CG 4.44Å; F405-P726 VanDerWaalsContact CE1-CD 3.45Å; F405-P726 HydrophobicContact CE1-CG 4.15Å
406	T	84.7	Confident	87.5	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-86.6	-10.5	171.3	66.5	0	0	0	0	112.6	W400 C403 E404 G408 K409 I721	W400-T406 HydrophobicContact CD2-CG2 3.67Å; W400-T406 HydrophobicContact CE3-CG2 3.59Å; W400-T406 HydrophobicContact CG-CG2 4.28Å; W400-T406 HydrophobicContact CH2-CG2 3.98Å; W400-T406 HydrophobicContact CZ2-CG2 4.05Å; W400-T406 HydrophobicContact CZ3-CG2 3.76Å; W400-T406 WeakPolarHBondContact O-CB 3.35Å; W400-T406 PolarHBondContact O-OG1 3.07Å; C403-T406 HydrophobicContact CB-CG2 3.85Å; C403-T406 PolarHBondContact O-OG1 2.94Å; E404-T406 PolarHBondContact O-N 3.04Å; T406-G408 PolarHBondContact O-N 2.96Å; T406-K409 VanDerWaalsContact O-CB 3.25Å; T406-K409 WeakPolarHBondContact O-CB 3.44Å; T406-K409 VanDerWaalsContact O-CG 3.3Å; T406-K409 WeakPolarHBondContact O-CG 3.38Å; T406-K409 PolarHBondContact O-N 2.7Å; T406-I721 HydrophobicContact CG2-CG1 4.09Å
407	A	77.9	Confident	87.7	Confident	43 Å²	43	52.8 Å²	52.8	36%	0.355	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	133.4	-179.4	0	0	0	0	0	111.4	E404 K409	E404-A407 WeakPolarHBondContact O-CB 3.11Å; E404-A407 PolarHBondContact O-N 3.07Å; A407-K409 PolarHBondContact O-N 3.29Å; A407-K409 VanDerWaalsContact O-N 3.09Å
408	G	79.2	Confident	88	Confident	25 Å²	25	50.1 Å²	50.1	26%	0.258	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	-5.7	-176.2	0	0	0	0	0	116.2	R340 T406	R340-G408 VanDerWaalsContact CD-O 3.24Å; R340-G408 WeakPolarHBondContact CD-O 3.36Å; R340-G408 VanDerWaalsContact CG-O 3.27Å; R340-G408 WeakPolarHBondContact CG-O 3.32Å; T406-G408 PolarHBondContact O-N 2.96Å
409	K	85.9	Confident	88.3	Confident	85 Å²	85	46.1 Å²	46.1	37%	0.37	24%	0.239	S	C	.	.	S	Bend	trans	-70.1	155.7	168.9	-53.5	-74	-178	159.6	0	109.9	R340 W400 F405 T406 A407	R340-K409 WeakPolarHBondContact CA-O 3.25Å; W400-K409 HydrophobicContact CH2-CB 4.49Å; W400-K409 HydrophobicContact CZ2-CB 4.11Å; F405-K409 WeakPolarHBondContact O-CE 3.46Å; T406-K409 VanDerWaalsContact O-CB 3.25Å; T406-K409 WeakPolarHBondContact O-CB 3.44Å; T406-K409 VanDerWaalsContact O-CG 3.3Å; T406-K409 WeakPolarHBondContact O-CG 3.38Å; T406-K409 PolarHBondContact O-N 2.7Å; A407-K409 PolarHBondContact O-N 3.29Å; A407-K409 VanDerWaalsContact O-N 3.09Å
410	P	85.5	Confident	88.5	Confident	71 Å²	71	44.3 Å²	44.3	46%	0.461	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-63.3	143.6	167.3	-17.8	31.9	0	0	0	110.9	T339 P412	T339-P410 WeakPolarHBondContact O-CA 3.46Å; P410-P412 WeakPolarHBondContact O-CD 3.34Å
411	I	88.3	Confident	88.6	Confident	17 Å²	17	44.2 Å²	44.2	9%	0.087	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-68.6	127.9	171.8	-58	177.5	0	0	0	109.3	T339 F415 Y416 L607	T339-I411 HydrophobicContact CG2-CD1 4.01Å; T339-I411 PolarHBondContact O-N 2.88Å; T339-I411 VanDerWaalsContact O-N 3.15Å; I411-F415 HydrophobicContact CG2-CD2 3.98Å; I411-Y416 HydrophobicContact CG2-CE2 4.09Å; I411-L607 HydrophobicContact CB-CD2 3.97Å; I411-L607 HydrophobicContact CG2-CD2 3.93Å
412	P	90.8	Very high	88.9	Confident	20 Å²	20	45.9 Å²	45.9	13%	0.13	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-60	136.6	175.8	-25.2	33.8	0	0	0	113	W400 P410 F414 F415 F716 I717	W400-P412 HydrophobicContact CD2-CG 4.18Å; W400-P412 VanDerWaalsContact CE2-CD 3.46Å; W400-P412 HydrophobicContact CE3-CG 4.21Å; W400-P412 HydrophobicContact CH2-CG 3.86Å; W400-P412 VanDerWaalsContact CZ2-CD 3.49Å; W400-P412 HydrophobicContact CZ2-CG 3.81Å; W400-P412 HydrophobicContact CZ3-CG 4.06Å; P410-P412 WeakPolarHBondContact O-CD 3.34Å; P412-F414 HydrophobicContact CB-CB 4.25Å; P412-F414 PolarHBondContact O-N 3.32Å; P412-F414 VanDerWaalsContact O-N 3.17Å; P412-F415 HydrophobicContact CB-CD2 4.21Å; P412-F415 HydrophobicContact CB-CE2 4.24Å; P412-F415 HydrophobicContact CG-CD2 4.32Å; P412-F415 HydrophobicContact CG-CE2 3.94Å; P412-F415 PolarHBondContact O-N 2.88Å; P412-F716 HydrophobicContact CB-CE1 4.46Å; P412-I717 HydrophobicContact CB-CD1 4.4Å; P412-I717 HydrophobicContact CG-CD1 4.31Å
413	G	90.1	Very high	89.2	Confident	7 Å²	7	44.8 Å²	44.8	7%	0.072	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22	174.7	0	0	0	0	0	114	F415 Y416 K603	G413-F415 PolarHBondContact O-N 2.78Å; G413-F415 VanDerWaalsContact O-N 3.15Å; G413-Y416 PolarHBondContact O-N 2.8Å; G413-K603 CarbonylContact C-O 3.56Å
414	F	92.5	Very high	89.7	Confident	4 Å²	4	44 Å²	44	2%	0.018	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-47.1	-39.5	174.2	-177.3	-101.1	0	0	0	114.2	A394 P412 Y416 K603 L710 K713 F716 I717	A394-F414 HydrophobicContact CB-CD1 4.04Å; A394-F414 HydrophobicContact CB-CE1 3.95Å; A394-F414 WeakPolarHBondContact CB-O 3.03Å; P412-F414 HydrophobicContact CB-CB 4.25Å; P412-F414 PolarHBondContact O-N 3.32Å; P412-F414 VanDerWaalsContact O-N 3.17Å; F414-Y416 PolarHBondContact O-N 3.33Å; F414-K603 PolarHBondContact N-O 2.9Å; F414-K603 VanDerWaalsContact N-O 3.14Å; F414-K603 PolarHBondContact O-NZ 2.88Å; F414-K603 VanDerWaalsContact O-NZ 3.09Å; F414-L710 HydrophobicContact CD2-CD2 4.24Å; F414-L710 HydrophobicContact CE1-CD2 4.2Å; F414-L710 HydrophobicContact CE2-CD2 3.56Å; F414-L710 HydrophobicContact CZ-CD2 3.54Å; F414-K713 HydrophobicContact CD2-CB 4.27Å; F414-K713 HydrophobicContact CD2-CD 4.23Å; F414-K713 HydrophobicContact CE2-CB 3.75Å; F414-K713 HydrophobicContact CE2-CD 4.48Å; F414-F716 HydrophobicContact CB-CD1 4.23Å; F414-F716 HydrophobicContact CB-CE1 4.1Å; F414-F716 HydrophobicContact CD1-CD1 4.47Å; F414-F716 HydrophobicContact CD2-CD1 4.07Å; F414-F716 HydrophobicContact CG-CD1 4.02Å; F414-F716 HydrophobicContact CG-CE1 4.39Å; F414-I717 HydrophobicContact CD1-CD1 3.74Å; F414-I717 HydrophobicContact CD1-CG1 3.69Å; F414-I717 HydrophobicContact CE1-CD1 4.31Å; F414-I717 HydrophobicContact CE1-CG1 3.73Å; F414-I717 HydrophobicContact CG-CD1 4.35Å
415	F	93.8	Very high	90.3	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-74.8	2.8	-179.5	-60.4	-52.7	0	0	0	115	D391 A394 S395 R397 W400 I411 P412 G413 I717	D391-F415 PolarHBondContact N-O 2.95Å; A394-F415 HydrophobicContact CB-CD1 4.09Å; S395-F415 WeakPolarHBondContact O-CE1 3.37Å; R397-F415 HydrophobicContact CB-CD1 3.73Å; R397-F415 HydrophobicContact CB-CE1 3.68Å; R397-F415 HydrophobicContact CB-CG 4.43Å; R397-F415 HydrophobicContact CB-CZ 4.31Å; R397-F415 HydrophobicContact CG-CD1 4.27Å; R397-F415 HydrophobicContact CG-CE1 4.48Å; W400-F415 HydrophobicContact CB-CE2 3.84Å; W400-F415 HydrophobicContact CB-CZ 3.62Å; W400-F415 AromaticContact CD1-CE2 3.84Å; W400-F415 HydrophobicContact CD2-CE2 4.05Å; W400-F415 HydrophobicContact CD2-CZ 4.45Å; W400-F415 AromaticContact CG-CE2 3.59Å; W400-F415 HydrophobicContact CG-CE2 3.59Å; W400-F415 AromaticContact CG-CZ 3.89Å; W400-F415 HydrophobicContact CG-CZ 3.89Å; I411-F415 HydrophobicContact CG2-CD2 3.98Å; P412-F415 HydrophobicContact CB-CD2 4.21Å; P412-F415 HydrophobicContact CB-CE2 4.24Å; P412-F415 HydrophobicContact CG-CD2 4.32Å; P412-F415 HydrophobicContact CG-CE2 3.94Å; P412-F415 PolarHBondContact O-N 2.88Å; G413-F415 PolarHBondContact O-N 2.78Å; G413-F415 VanDerWaalsContact O-N 3.15Å; F415-I717 HydrophobicContact CE1-CD1 3.82Å; F415-I717 HydrophobicContact CE1-CG1 3.78Å; F415-I717 HydrophobicContact CE2-CD1 3.97Å; F415-I717 HydrophobicContact CZ-CD1 3.4Å; F415-I717 HydrophobicContact CZ-CG1 3.73Å; F415-I717 HydrophobicContact CZ-CG2 4.02Å
416	Y	95.1	Very high	90.9	Very high	8 Å²	8	32.3 Å²	32.3	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	163.1	-176.1	-72	-99.6	0	0	0	109.9	V388 E389 P390 I411 G413 F414 K603 L607 F614	V388-Y416 HydrophobicContact CB-CD1 4.27Å; V388-Y416 HydrophobicContact CG2-CD1 3.65Å; V388-Y416 HydrophobicContact CG2-CE1 4.5Å; V388-Y416 HydrophobicContact CG2-CG 4.15Å; E389-Y416 VanDerWaalsContact O-CA 3.32Å; E389-Y416 WeakPolarHBondContact O-CA 3.48Å; E389-Y416 WeakPolarHBondContact O-CD1 3.47Å; P390-Y416 HydrophobicContact CB-CE1 4.38Å; P390-Y416 HydrophobicContact CG-CD1 4.48Å; P390-Y416 HydrophobicContact CG-CE1 3.97Å; I411-Y416 HydrophobicContact CG2-CE2 4.09Å; G413-Y416 PolarHBondContact O-N 2.8Å; F414-Y416 PolarHBondContact O-N 3.33Å; Y416-K603 PolarHBondContact O-NZ 2.85Å; Y416-L607 HydrophobicContact CD1-CD1 4.16Å; Y416-L607 HydrophobicContact CD2-CD1 3.89Å; Y416-L607 HydrophobicContact CD2-CD2 3.55Å; Y416-L607 HydrophobicContact CD2-CG 4.38Å; Y416-L607 HydrophobicContact CE1-CD2 4.46Å; Y416-L607 HydrophobicContact CE2-CD1 4.41Å; Y416-L607 HydrophobicContact CE2-CD2 3.35Å; Y416-L607 HydrophobicContact CG-CD1 3.78Å; Y416-L607 HydrophobicContact CG-CD2 4.24Å; Y416-F614 HydrophobicContact CD1-CB 4.34Å; Y416-F614 HydrophobicContact CE1-CB 3.98Å; Y416-F614 HydrophobicContact CE1-CD1 4.29Å; Y416-F614 AromaticContact CE1-CD2 3.95Å; Y416-F614 HydrophobicContact CE1-CD2 3.95Å; Y416-F614 AromaticContact CE1-CG 3.82Å; Y416-F614 HydrophobicContact CE1-CG 3.82Å
417	R	94.7	Very high	91.3	Very high	48 Å²	48	32.7 Å²	32.7	18%	0.181	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.8	175.5	60.2	-179.2	-178.4	-143.1	12.2	110.3	V388 E389 D391 F419 D706	V388-R417 CarbonylContact C-O 3.53Å; V388-R417 WeakPolarHBondContact CA-O 3.49Å; V388-R417 WeakPolarHBondContact CB-O 3.31Å; V388-R417 WeakPolarHBondContact CG1-O 3.36Å; E389-R417 HydrophobicContact CG-CG 3.98Å; E389-R417 PolarHBondContact N-O 3.49Å; E389-R417 PolarHBondContact O-N 2.93Å; E389-R417 IonicContact OE1-CZ 3.74Å; E389-R417 IonicContact OE1-NE 3.71Å; E389-R417 PolarHBondContact OE1-NE 2.89Å; E389-R417 IonicContact OE1-NH2 3.91Å; E389-R417 PolarHBondContact OE1-NH2 2.92Å; D391-R417 HydrophobicContact CB-CB 4.24Å; D391-R417 HydrophobicContact CB-CG 4.07Å; D391-R417 IonicContact OD1-CZ 3.72Å; D391-R417 IonicContact OD1-NH1 2.83Å; D391-R417 PolarHBondContact OD1-NH1 3.12Å; R417-F419 PolarHBondContact O-N 2.8Å; R417-D706 WeakPolarHBondContact CB-OD2 3.36Å
418	V	94.2	Very high	92	Very high	21 Å²	21	31.4 Å²	31.4	13%	0.127	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.4	179.1	-178	0	0	0	0	110.2	I386 L420 Y602 F616	I386-V418 HydrophobicContact CG2-CB 4.49Å; I386-V418 HydrophobicContact CG2-CG1 3.87Å; I386-V418 HydrophobicContact CG2-CG2 4.07Å; V418-L420 HydrophobicContact CG1-CD2 4.06Å; V418-L420 PolarHBondContact O-N 3.39Å; V418-Y602 HydrophobicContact CG2-CD2 3.67Å; V418-Y602 HydrophobicContact CG2-CE2 4.21Å; V418-F616 HydrophobicContact CG2-CE2 4.46Å
419	F	94.2	Very high	92.6	Very high	48 Å²	48	31 Å²	31	21%	0.211	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-77	117.5	171	175.2	-93.3	0	0	0	109.6	F372 L387 R417	F372-F419 HydrophobicContact CD1-CE1 4.39Å; F372-F419 HydrophobicContact CE1-CD1 4.28Å; F372-F419 HydrophobicContact CE1-CE1 4.2Å; F372-F419 HydrophobicContact CE2-CE1 4.42Å; F372-F419 HydrophobicContact CZ-CE1 4.22Å; L387-F419 HydrophobicContact CB-CB 4.33Å; L387-F419 HydrophobicContact CD2-CB 4.14Å; L387-F419 HydrophobicContact CD2-CD1 3.58Å; L387-F419 HydrophobicContact CD2-CE1 4.2Å; L387-F419 HydrophobicContact CD2-CG 3.96Å; L387-F419 HydrophobicContact CG-CB 3.86Å; L387-F419 HydrophobicContact CG-CD1 4.26Å; L387-F419 HydrophobicContact CG-CG 4.22Å; L387-F419 PolarHBondContact O-N 2.67Å; R417-F419 PolarHBondContact O-N 2.8Å
420	L	92.4	Very high	93	Very high	61 Å²	61	27.7 Å²	27.7	32%	0.319	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-100.3	129.5	175.3	-62.3	179.9	0	0	0	110.4	V418 A699 Q702	V418-L420 HydrophobicContact CG1-CD2 4.06Å; V418-L420 PolarHBondContact O-N 3.39Å; L420-A699 HydrophobicContact CD1-CB 4.19Å; L420-Q702 HydrophobicContact CD1-CB 3.75Å; L420-Q702 HydrophobicContact CD1-CG 4.11Å
421	C	92	Very high	93.4	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.034	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-72.7	140.1	176.5	-171.8	0	0	0	0	110.3	F372 Q423 T456 H457	F372-C421 HydrophobicContact CE2-CB 3.8Å; F372-C421 HydrophobicContact CZ-CB 3.85Å; C421-Q423 PolarHBondContact O-N 3.37Å; C421-Q423 VanDerWaalsContact O-N 3.09Å; C421-Q423 PolarHBondContact SG-O 3.34Å; C421-Q423 VanDerWaalsContact SG-O 3.34Å; C421-T456 HydrophobicContact CB-CG2 4.4Å; C421-H457 PolarHBondContact O-CE1 3.12Å; C421-H457 VanDerWaalsContact O-CE1 3.29Å
422	S	92.1	Very high	93.6	Very high	89 Å²	89	25.1 Å²	25.1	62%	0.622	13%	0.134	S	C	*	.	S	Bend	trans	-69.7	-0.7	177.2	53.4	0	0	0	0	114.7
423	Q	93.8	Very high	93.5	Very high	109 Å²	109	28.4 Å²	28.4	51%	0.509	15%	0.151	S	C	.	.	S	Bend	trans	-145.5	153	178.7	-62.6	-176.7	-5.9	0	0	110	L370 C421 V425 T456 H457	L370-Q423 HydrophobicContact CD2-CB 4.42Å; L370-Q423 HydrophobicContact CD2-CG 4.42Å; C421-Q423 PolarHBondContact O-N 3.37Å; C421-Q423 VanDerWaalsContact O-N 3.09Å; C421-Q423 PolarHBondContact SG-O 3.34Å; C421-Q423 VanDerWaalsContact SG-O 3.34Å; Q423-V425 HydrophobicContact CB-CG1 4.22Å; Q423-T456 PolarHBondContact O-OG1 2.83Å; Q423-H457 PolarHBondContact O-CE1 3.18Å
424	V	96.8	Very high	93.5	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.055	17%	0.169	C	C	.	.			trans	-78.5	122.7	166.8	-170.8	0	0	0	0	108.7	A455 H457 F674 M691 V695	V424-A455 HydrophobicContact CG1-CB 4.02Å; V424-H457 HydrophobicContact CG1-CB 4.31Å; V424-H457 HydrophobicContact CG2-CB 4.03Å; V424-F674 HydrophobicContact CB-CB 3.99Å; V424-F674 HydrophobicContact CB-CD1 4.43Å; V424-F674 HydrophobicContact CB-CD2 3.94Å; V424-F674 HydrophobicContact CB-CG 3.85Å; V424-F674 HydrophobicContact CG1-CB 4.19Å; V424-F674 HydrophobicContact CG1-CD1 3.7Å; V424-F674 HydrophobicContact CG1-CD2 3.75Å; V424-F674 HydrophobicContact CG1-CE1 3.96Å; V424-F674 HydrophobicContact CG1-CE2 3.98Å; V424-F674 HydrophobicContact CG1-CG 3.59Å; V424-F674 HydrophobicContact CG1-CZ 4.09Å; V424-F674 WeakPolarHBondContact O-CD2 3.47Å; V424-M691 HydrophobicContact CG1-CE 4.29Å; V424-M691 VanDerWaalsContact CG2-O 3.22Å; V424-M691 WeakPolarHBondContact CG2-O 3.37Å; V424-V695 HydrophobicContact CG2-CG2 3.72Å
425	V	96.9	Very high	93.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.169	C	C	.	.			trans	-145.6	169.3	-179	-62.3	0	0	0	0	109.9	L370 F372 Q423 Q441 L442 A455 T456	L370-V425 HydrophobicContact CD1-CG1 3.97Å; L370-V425 HydrophobicContact CD1-CG2 4.41Å; F372-V425 HydrophobicContact CE2-CG2 4.4Å; Q423-V425 HydrophobicContact CB-CG1 4.22Å; V425-Q441 HydrophobicContact CB-CB 3.67Å; V425-Q441 HydrophobicContact CG1-CB 4.28Å; V425-Q441 HydrophobicContact CG2-CB 3.94Å; V425-L442 HydrophobicContact CG1-CD2 4.2Å; V425-A455 CarbonylContact O-C 3.56Å; V425-A455 WeakPolarHBondContact O-CA 3.47Å; V425-T456 HydrophobicContact CG2-CG2 3.62Å; V425-T456 PolarHBondContact N-OG1 3.15Å; V425-T456 PolarHBondContact O-N 3.36Å; V425-T456 PolarHBondContact O-OG1 3.49Å
426	L	97.1	Very high	93.5	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	125.3	172.4	-60.5	176.4	0	0	0	110.5	V437 Q441 V444 V453 V672 F674	L426-V437 HydrophobicContact CB-CG1 4.32Å; L426-Q441 VanDerWaalsContact CB-O 3.28Å; L426-Q441 WeakPolarHBondContact CB-O 3.49Å; L426-Q441 WeakPolarHBondContact CG-O 3.35Å; L426-Q441 PolarHBondContact N-O 3.34Å; L426-Q441 PolarHBondContact O-OE1 2.83Å; L426-V444 HydrophobicContact CD1-CB 3.77Å; L426-V444 HydrophobicContact CD1-CG1 3.53Å; L426-V453 HydrophobicContact CB-CG2 3.97Å; L426-V453 HydrophobicContact CD1-CG1 4.48Å; L426-V453 HydrophobicContact CD2-CG1 4.31Å; L426-V453 HydrophobicContact CD2-CG2 4.39Å; L426-V672 HydrophobicContact CD1-CG2 4Å; L426-V672 HydrophobicContact CD2-CG1 4.26Å; L426-V672 HydrophobicContact CD2-CG2 4.02Å; L426-V672 HydrophobicContact CG-CG2 3.77Å; L426-F674 HydrophobicContact CD2-CZ 4.32Å
427	S	94.8	Very high	93.5	Very high	8 Å²	8	39 Å²	39	6%	0.056	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.6	-172.7	-178.1	0	0	0	0	112.7	S429 D430 R454	S427-S429 PolarHBondContact OG-N 3Å; S427-S429 PolarHBondContact OG-OG 3.12Å; S427-D430 WeakPolarHBondContact OG-CB 3.26Å; S427-D430 PolarHBondContact OG-N 2.6Å; S427-D430 VanDerWaalsContact OG-N 3.15Å; S427-R454 WeakPolarHBondContact CB-O 3.48Å; S427-R454 PolarHBondContact N-O 2.68Å
428	L	92.5	Very high	93.4	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-30.8	174.3	-69.1	179	0	0	0	113.5	F372 H376 L378 R431 V437 Q441	F372-L428 HydrophobicContact CB-CD1 4Å; F372-L428 HydrophobicContact CG-CD1 4.47Å; H376-L428 PolarHBondContact CD2-O 2.98Å; H376-L428 PolarHBondContact NE2-O 2.97Å; L378-L428 WeakPolarHBondContact CD2-O 3.25Å; L428-R431 PolarHBondContact O-NE 3.23Å; L428-V437 HydrophobicContact CD2-CB 4.33Å; L428-V437 HydrophobicContact CD2-CG1 4.27Å; L428-Q441 HydrophobicContact CD1-CG 4.48Å; L428-Q441 HydrophobicContact CD2-CG 4.07Å; L428-Q441 HydrophobicContact CG-CG 4.13Å
429	S	91.3	Very high	93.1	Very high	17 Å²	17	48.2 Å²	48.2	12%	0.119	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-29.6	177.6	54.9	0	0	0	0	113.1	A377 N379 S427 R431	A377-S429 VanDerWaalsContact O-CB 3.23Å; A377-S429 WeakPolarHBondContact O-CB 3.39Å; N379-S429 PolarHBondContact N-O 3.2Å; S427-S429 PolarHBondContact OG-N 3Å; S427-S429 PolarHBondContact OG-OG 3.12Å; S429-R431 PolarHBondContact O-N 2.86Å
430	D	93.3	Very high	92.9	Very high	16 Å²	16	48.5 Å²	48.5	9%	0.086	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	55.2	-171.2	-153.9	35.4	0	0	0	112.2	N379 S427 R454 L490	N379-D430 PolarHBondContact ND2-OD1 2.7Å; S427-D430 WeakPolarHBondContact OG-CB 3.26Å; S427-D430 PolarHBondContact OG-N 2.6Å; S427-D430 VanDerWaalsContact OG-N 3.15Å; D430-R454 VanDerWaalsContact CG-NH2 3.32Å; D430-R454 PolarHBondContact O-N 2.86Å; D430-R454 VanDerWaalsContact O-N 3.13Å; D430-R454 IonicContact OD1-CZ 3.06Å; D430-R454 IonicContact OD1-NE 2.63Å; D430-R454 IonicContact OD1-NH2 3.77Å; D430-R454 PolarHBondContact OD1-NH2 3.07Å; D430-R454 IonicContact OD2-CZ 2.71Å; D430-R454 IonicContact OD2-NE 2.77Å; D430-R454 PolarHBondContact OD2-NE 2.65Å; D430-R454 IonicContact OD2-NH2 2.7Å; D430-R454 PolarHBondContact OD2-NH2 3.19Å; D430-R454 VanDerWaalsContact OD2-NH2 3.14Å; D430-L490 WeakPolarHBondContact O-CD2 3.42Å
431	R	93.9	Very high	93	Very high	33 Å²	33	45.7 Å²	45.7	13%	0.125	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156	-179.7	63.8	-179	172.4	143.1	-7.8	111.3	H376 L378 L428 S429 L435 M452 V453	H376-R431 PolarHBondContact CE1-NH2 3.41Å; H376-R431 PolarHBondContact NE2-NH2 2.96Å; L378-R431 HydrophobicContact CD2-CG 3.91Å; L428-R431 PolarHBondContact O-NE 3.23Å; S429-R431 PolarHBondContact O-N 2.86Å; R431-L435 PolarHBondContact NH1-O 3.46Å; R431-M452 WeakPolarHBondContact CA-O 3.46Å; R431-V453 HydrophobicContact CB-CB 3.8Å; R431-V453 HydrophobicContact CB-CG2 3.75Å
432	A	93.5	Very high	93.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.			trans	-65	142.2	168	0	0	0	0	0	112.5	H434 L435 C451 M452 L490	A432-H434 PolarHBondContact O-N 3.29Å; A432-L435 HydrophobicContact CB-CG 4.37Å; A432-L435 PolarHBondContact O-N 3.09Å; A432-C451 HydrophobicContact CB-CB 3.65Å; A432-C451 VanDerWaalsContact CB-SG 3.56Å; A432-M452 PolarHBondContact N-O 3.29Å; A432-L490 WeakPolarHBondContact CB-O 3.48Å
433	N	89.3	Confident	93.4	Very high	89 Å²	89	45.2 Å²	45.2	48%	0.476	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-24.7	175.8	-58.6	-18.7	0	0	0	114.9
434	H	88.2	Confident	93.6	Very high	100 Å²	100	40 Å²	40	46%	0.463	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.5	-176.9	-59.9	-67.2	0	0	0	114.1	A432	A432-H434 PolarHBondContact O-N 3.29Å
435	L	93.4	Very high	93.6	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	21%	0.211	C	C	.	.			trans	-94.4	126.4	174.7	-67.3	-179.6	0	0	0	112.4	R431 A432 V444 C451 M452 V453 I664	R431-L435 PolarHBondContact NH1-O 3.46Å; A432-L435 HydrophobicContact CB-CG 4.37Å; A432-L435 PolarHBondContact O-N 3.09Å; L435-V444 HydrophobicContact CB-CG2 3.98Å; L435-V444 HydrophobicContact CD1-CG2 4.17Å; L435-V444 HydrophobicContact CD2-CG2 4.23Å; L435-V444 HydrophobicContact CG-CG2 4.35Å; L435-C451 HydrophobicContact CD1-CB 4.09Å; L435-C451 HydrophobicContact CD2-CB 3.66Å; L435-C451 HydrophobicContact CG-CB 3.67Å; L435-M452 VanDerWaalsContact CD1-O 3.32Å; L435-M452 WeakPolarHBondContact CD1-O 3.16Å; L435-V453 HydrophobicContact CD1-CB 3.83Å; L435-V453 HydrophobicContact CD1-CG1 4Å; L435-I664 HydrophobicContact CD2-CB 4.32Å
436	K	93.8	Very high	93.5	Very high	118 Å²	118	41.6 Å²	41.6	51%	0.513	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.5	173.5	-67.6	163.6	-171.8	165.1	0	107.7	V444 T445 E447	K436-V444 WeakPolarHBondContact O-CA 3.42Å; K436-T445 PolarHBondContact N-O 3.37Å; K436-T445 PolarHBondContact O-N 3.47Å; K436-E447 WeakPolarHBondContact CE-OE2 3.33Å; K436-E447 IonicContact NZ-OE2 3.28Å; K436-E447 PolarHBondContact NZ-OE2 3.14Å
437	V	94.3	Very high	93.1	Very high	23 Å²	23	44.8 Å²	44.8	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132	173.1	177.8	0	0	0	0	108	L426 L428 Q441 S443 V444	L426-V437 HydrophobicContact CB-CG1 4.32Å; L428-V437 HydrophobicContact CD2-CB 4.33Å; L428-V437 HydrophobicContact CD2-CG1 4.27Å; V437-Q441 HydrophobicContact CG1-CB 4.34Å; V437-Q441 HydrophobicContact CG1-CG 4.22Å; V437-S443 WeakPolarHBondContact CA-O 3.18Å; V437-V444 HydrophobicContact CG2-CB 4.2Å; V437-V444 HydrophobicContact CG2-CG2 3.93Å
438	H	93.2	Very high	92.9	Very high	114 Å²	114	50.9 Å²	50.9	53%	0.528	25%	0.253	S	S	.	.			trans	-65.8	157.8	178.4	-175	-106.5	0	0	0	111.4	S440 Q441 S443	H438-S440 PolarHBondContact ND1-N 3.39Å; H438-S440 PolarHBondContact ND1-OG 2.63Å; H438-S440 PolarHBondContact O-N 2.98Å; H438-Q441 WeakPolarHBondContact O-CA 3.4Å; H438-Q441 PolarHBondContact O-N 3.43Å; H438-S443 PolarHBondContact N-O 3.09Å
439	E	88.8	Confident	92.9	Very high	150 Å²	150	52.1 Å²	52.1	70%	0.701	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.3	-175.9	-173.8	174	-172.5	0	0	113.2	Q441	E439-Q441 PolarHBondContact O-N 2.84Å
440	S	90.3	Very high	93	Very high	54 Å²	54	53.7 Å²	53.7	38%	0.378	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.5	173.6	63	0	0	0	0	114.6	H438 L442	H438-S440 PolarHBondContact ND1-N 3.39Å; H438-S440 PolarHBondContact ND1-OG 2.63Å; H438-S440 PolarHBondContact O-N 2.98Å; S440-L442 PolarHBondContact O-N 3.4Å
441	Q	93.9	Very high	93.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.271	C	S	.	.	S	Bend	trans	54.1	17.2	-171.9	-65.6	173.9	73.5	0	0	114.8	N368 L370 V425 L426 L428 V437 H438 E439	N368-Q441 PolarHBondContact ND2-NE2 2.95Å; L370-Q441 HydrophobicContact CD1-CB 4.43Å; L370-Q441 VanDerWaalsContact CD1-NE2 3.3Å; V425-Q441 HydrophobicContact CB-CB 3.67Å; V425-Q441 HydrophobicContact CG1-CB 4.28Å; V425-Q441 HydrophobicContact CG2-CB 3.94Å; L426-Q441 VanDerWaalsContact CB-O 3.28Å; L426-Q441 WeakPolarHBondContact CB-O 3.49Å; L426-Q441 WeakPolarHBondContact CG-O 3.35Å; L426-Q441 PolarHBondContact N-O 3.34Å; L426-Q441 PolarHBondContact O-OE1 2.83Å; L428-Q441 HydrophobicContact CD1-CG 4.48Å; L428-Q441 HydrophobicContact CD2-CG 4.07Å; L428-Q441 HydrophobicContact CG-CG 4.13Å; V437-Q441 HydrophobicContact CG1-CB 4.34Å; V437-Q441 HydrophobicContact CG1-CG 4.22Å; H438-Q441 WeakPolarHBondContact O-CA 3.4Å; H438-Q441 PolarHBondContact O-N 3.43Å; E439-Q441 PolarHBondContact O-N 2.84Å
442	L	96.2	Very high	93.2	Very high	62 Å²	62	51.7 Å²	51.7	33%	0.325	27%	0.266	S	S	.	.	S	Bend	trans	-108.7	2.1	176.5	-65.3	177.2	0	0	0	113.6	V425 S440 S671 V672 F674	V425-L442 HydrophobicContact CG1-CD2 4.2Å; S440-L442 PolarHBondContact O-N 3.4Å; L442-S671 CarbonylContact O-C 3.58Å; L442-S671 VanDerWaalsContact O-CA 3.3Å; L442-S671 WeakPolarHBondContact O-CA 3.39Å; L442-S671 PolarHBondContact O-OG 3.33Å; L442-V672 HydrophobicContact CB-CG2 4.35Å; L442-V672 HydrophobicContact CD2-CG2 4.03Å; L442-V672 WeakPolarHBondContact O-CG2 3.24Å; L442-V672 PolarHBondContact O-N 3.23Å; L442-F674 HydrophobicContact CD2-CD2 4Å; L442-F674 HydrophobicContact CD2-CE2 3.99Å
443	S	96.8	Very high	93.4	Very high	22 Å²	22	51.7 Å²	51.7	15%	0.154	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.3	174.3	-179.5	0	0	0	0	110.9	V437 H438 T669 V670	V437-S443 WeakPolarHBondContact CA-O 3.18Å; H438-S443 PolarHBondContact N-O 3.09Å; S443-T669 WeakPolarHBondContact OG-CG2 3.4Å; S443-V670 WeakPolarHBondContact CA-O 3.13Å
444	V	97.6	Very high	93.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.5	-178	55.8	0	0	0	0	111.6	L426 L435 K436 V437 V453 I662 I664 T669 V670	L426-V444 HydrophobicContact CD1-CB 3.77Å; L426-V444 HydrophobicContact CD1-CG1 3.53Å; L435-V444 HydrophobicContact CB-CG2 3.98Å; L435-V444 HydrophobicContact CD1-CG2 4.17Å; L435-V444 HydrophobicContact CD2-CG2 4.23Å; L435-V444 HydrophobicContact CG-CG2 4.35Å; K436-V444 WeakPolarHBondContact O-CA 3.42Å; V437-V444 HydrophobicContact CG2-CB 4.2Å; V437-V444 HydrophobicContact CG2-CG2 3.93Å; V444-V453 HydrophobicContact CB-CG1 4.36Å; V444-V453 HydrophobicContact CG1-CG1 3.98Å; V444-V453 HydrophobicContact CG2-CG1 4.04Å; V444-I662 HydrophobicContact CG1-CG2 4.25Å; V444-I664 HydrophobicContact CG1-CD1 3.99Å; V444-I664 HydrophobicContact CG2-CD1 4.27Å; V444-I664 WeakPolarHBondContact O-CD1 3.16Å; V444-T669 WeakPolarHBondContact O-CA 3.34Å; V444-V670 PolarHBondContact N-O 2.9Å; V444-V670 PolarHBondContact O-N 2.84Å
445	T	96.7	Very high	94.2	Very high	40 Å²	40	43 Å²	43	25%	0.245	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.4	179.2	-51.6	0	0	0	0	110.2	K436 A668 T669	K436-T445 PolarHBondContact N-O 3.37Å; K436-T445 PolarHBondContact O-N 3.47Å; T445-A668 WeakPolarHBondContact CA-O 3.31Å; T445-T669 WeakPolarHBondContact CB-OG1 3.47Å; T445-T669 VanDerWaalsContact CG2-OG1 3.26Å; T445-T669 WeakPolarHBondContact CG2-OG1 3.45Å; T445-T669 VanDerWaalsContact OG1-CG2 3.28Å; T445-T669 WeakPolarHBondContact OG1-CG2 3.29Å; T445-T669 PolarHBondContact OG1-OG1 3.06Å
446	G	93.8	Very high	94.3	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	23%	0.231	C	C	.	.			trans	-94.4	-177.4	174.3	0	0	0	0	0	114.1	K666 A668	G446-K666 CarbonylContact C-O 3.49Å; G446-K666 WeakPolarHBondContact CA-O 3.35Å; G446-A668 PolarHBondContact N-O 3.31Å
447	E	90.6	Very high	94.4	Very high	70 Å²	70	39 Å²	39	33%	0.327	21%	0.208	S	C	.	.			trans	-143.2	-52	174.5	-166.3	-170.8	108.2	0	0	112.3	K436 K666	K436-E447 WeakPolarHBondContact CE-OE2 3.33Å; K436-E447 IonicContact NZ-OE2 3.28Å; K436-E447 PolarHBondContact NZ-OE2 3.14Å; E447-K666 PolarHBondContact N-O 3.23Å
448	K	89.8	Confident	94.5	Very high	136 Å²	136	39 Å²	39	59%	0.591	21%	0.209	S	C	*	.	S	Bend	trans	-138.4	146	-172.8	-71.7	166.4	-178.3	138.7	0	111
449	G	92.2	Very high	94.5	Very high	42 Å²	42	33.6 Å²	33.6	43%	0.433	18%	0.184	S	C	.	.	S	Bend	trans	60.2	-161.9	-179.5	0	0	0	0	0	112.8	Y665 K666	G449-Y665 VanDerWaalsContact C-CD2 3.49Å; G449-Y665 VanDerWaalsContact O-CA 3.29Å; G449-Y665 WeakPolarHBondContact O-CA 3.36Å; G449-Y665 WeakPolarHBondContact O-CD2 3.41Å; G449-K666 PolarHBondContact O-N 3.25Å; G449-K666 VanDerWaalsContact O-N 3.12Å
450	Y	94.2	Very high	94.7	Very high	50 Å²	50	28.9 Å²	28.9	20%	0.196	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	146	159.6	-96	-73.1	0	0	0	108.9	R480 P493 I664 Y665	Y450-R480 HydrophobicContact CE1-CG 4.13Å; Y450-P493 HydrophobicContact CD1-CB 3.68Å; Y450-P493 HydrophobicContact CD2-CB 4.04Å; Y450-P493 HydrophobicContact CD2-CG 4.15Å; Y450-P493 HydrophobicContact CE1-CB 4.05Å; Y450-P493 HydrophobicContact CE2-CB 4.39Å; Y450-P493 HydrophobicContact CG-CB 3.66Å; Y450-P493 HydrophobicContact CG-CG 4.12Å; Y450-I664 VanDerWaalsContact CA-O 3.31Å; Y450-I664 WeakPolarHBondContact CA-O 3.36Å; Y450-Y665 HydrophobicContact CD1-CD2 4.48Å; Y450-Y665 AromaticContact CD2-CD2 3.59Å; Y450-Y665 HydrophobicContact CD2-CD2 3.59Å; Y450-Y665 HydrophobicContact CD2-CE2 4.34Å; Y450-Y665 HydrophobicContact CD2-CG 4.19Å; Y450-Y665 AromaticContact CE2-CD2 3.9Å; Y450-Y665 HydrophobicContact CE2-CD2 3.9Å; Y450-Y665 HydrophobicContact CE2-CG 4.1Å; Y450-Y665 AromaticContact CG-CD2 3.92Å; Y450-Y665 HydrophobicContact CG-CD2 3.92Å; Y450-Y665 HydrophobicContact CG-CG 4.44Å
451	C	94.6	Very high	94.7	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151.3	174	-82.7	0	0	0	0	110	A432 L435 S663 I664	A432-C451 HydrophobicContact CB-CB 3.65Å; A432-C451 VanDerWaalsContact CB-SG 3.56Å; L435-C451 HydrophobicContact CD1-CB 4.09Å; L435-C451 HydrophobicContact CD2-CB 3.66Å; L435-C451 HydrophobicContact CG-CB 3.67Å; C451-S663 CarbonylContact O-C 3.51Å; C451-S663 WeakPolarHBondContact O-CA 3.36Å; C451-S663 WeakPolarHBondContact O-CB 3.26Å; C451-I664 PolarHBondContact N-O 2.83Å; C451-I664 PolarHBondContact O-N 3.42Å
452	M	96.1	Very high	94.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.5	-178.1	-174.5	166.2	66.1	0	0	113.5	R431 A432 L435 L490 C494 A661 I662 S663	R431-M452 WeakPolarHBondContact CA-O 3.46Å; A432-M452 PolarHBondContact N-O 3.29Å; L435-M452 VanDerWaalsContact CD1-O 3.32Å; L435-M452 WeakPolarHBondContact CD1-O 3.16Å; M452-L490 HydrophobicContact CE-CD2 4.34Å; M452-L490 PolarHBondContact N-O 2.92Å; M452-C494 HydrophobicContact SD-CB 3.73Å; M452-A661 HydrophobicContact SD-CB 4.12Å; M452-I662 VanDerWaalsContact CA-O 3.3Å; M452-I662 WeakPolarHBondContact CA-O 3.39Å; M452-I662 WeakPolarHBondContact CG-O 3.48Å; M452-S663 VanDerWaalsContact CB-OG 3.31Å; M452-S663 WeakPolarHBondContact CB-OG 3.39Å; M452-S663 WeakPolarHBondContact CG-OG 3.38Å
453	V	97.4	Very high	94.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.1	166	55.4	0	0	0	0	109.7	L426 R431 L435 V444 A661 I662	L426-V453 HydrophobicContact CB-CG2 3.97Å; L426-V453 HydrophobicContact CD1-CG1 4.48Å; L426-V453 HydrophobicContact CD2-CG1 4.31Å; L426-V453 HydrophobicContact CD2-CG2 4.39Å; R431-V453 HydrophobicContact CB-CB 3.8Å; R431-V453 HydrophobicContact CB-CG2 3.75Å; L435-V453 HydrophobicContact CD1-CB 3.83Å; L435-V453 HydrophobicContact CD1-CG1 4Å; V444-V453 HydrophobicContact CB-CG1 4.36Å; V444-V453 HydrophobicContact CG1-CG1 3.98Å; V444-V453 HydrophobicContact CG2-CG1 4.04Å; V453-A661 WeakPolarHBondContact O-CA 3.22Å; V453-I662 HydrophobicContact CG1-CB 4.34Å; V453-I662 PolarHBondContact N-O 2.96Å; V453-I662 PolarHBondContact O-N 3.44Å
454	R	97.4	Very high	94.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	156	171.1	-74	-178.8	-69.9	-113.9	2.9	111.5	S427 D430 S484 Q485 M486 G488 Y659 P660 A661	S427-R454 WeakPolarHBondContact CB-O 3.48Å; S427-R454 PolarHBondContact N-O 2.68Å; D430-R454 VanDerWaalsContact CG-NH2 3.32Å; D430-R454 PolarHBondContact O-N 2.86Å; D430-R454 VanDerWaalsContact O-N 3.13Å; D430-R454 IonicContact OD1-CZ 3.06Å; D430-R454 IonicContact OD1-NE 2.63Å; D430-R454 IonicContact OD1-NH2 3.77Å; D430-R454 PolarHBondContact OD1-NH2 3.07Å; D430-R454 IonicContact OD2-CZ 2.71Å; D430-R454 IonicContact OD2-NE 2.77Å; D430-R454 PolarHBondContact OD2-NE 2.65Å; D430-R454 IonicContact OD2-NH2 2.7Å; D430-R454 PolarHBondContact OD2-NH2 3.19Å; D430-R454 VanDerWaalsContact OD2-NH2 3.14Å; R454-S484 PolarHBondContact NH1-OG 3.42Å; R454-Q485 PolarHBondContact NH1-O 3Å; R454-Q485 VanDerWaalsContact NH1-O 3.14Å; R454-M486 VanDerWaalsContact CZ-O 3.22Å; R454-M486 PolarHBondContact NH1-O 3.43Å; R454-M486 PolarHBondContact NH2-O 2.99Å; R454-G488 PolarHBondContact NH1-O 2.91Å; R454-Y659 HydrophobicContact CB-CG 4.46Å; R454-P660 CarbonylContact C-O 3.57Å; R454-P660 WeakPolarHBondContact CA-O 3.27Å; R454-A661 HydrophobicContact CG-CB 4.18Å
455	A	97.7	Very high	94.8	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	166.3	170.6	0	0	0	0	0	112.4	V424 V425 H457 Y659 P660 F674	V424-A455 HydrophobicContact CG1-CB 4.02Å; V425-A455 CarbonylContact O-C 3.56Å; V425-A455 WeakPolarHBondContact O-CA 3.47Å; A455-H457 VanDerWaalsContact C-N 3.29Å; A455-H457 PolarHBondContact O-N 3.33Å; A455-Y659 WeakPolarHBondContact O-CD1 3.19Å; A455-P660 HydrophobicContact CB-CB 3.93Å; A455-P660 HydrophobicContact CB-CG 4.09Å; A455-P660 PolarHBondContact N-O 3.47Å; A455-F674 HydrophobicContact CB-CE1 3.97Å; A455-F674 HydrophobicContact CB-CZ 3.76Å
456	T	96	Very high	94.8	Very high	31 Å²	31	25 Å²	25	19%	0.19	14%	0.144	C	C	.	.	S	Bend	trans	-70.5	-18.4	-179.7	48.8	0	0	0	0	114.7	F372 C421 Q423 V425	F372-T456 HydrophobicContact CE2-CG2 4.34Å; F372-T456 HydrophobicContact CZ-CG2 3.78Å; C421-T456 HydrophobicContact CB-CG2 4.4Å; Q423-T456 PolarHBondContact O-OG1 2.83Å; V425-T456 HydrophobicContact CG2-CG2 3.62Å; V425-T456 PolarHBondContact N-OG1 3.15Å; V425-T456 PolarHBondContact O-N 3.36Å; V425-T456 PolarHBondContact O-OG1 3.49Å
457	H	95.9	Very high	95.1	Very high	7 Å²	7	25 Å²	25	3%	0.032	14%	0.143	C	C	.	.			trans	-125.1	145.4	-173.8	-68.1	72	0	0	0	111.7	C421 Q423 V424 A455 Y659 P660 M691 R694	C421-H457 PolarHBondContact O-CE1 3.12Å; C421-H457 VanDerWaalsContact O-CE1 3.29Å; Q423-H457 PolarHBondContact O-CE1 3.18Å; V424-H457 HydrophobicContact CG1-CB 4.31Å; V424-H457 HydrophobicContact CG2-CB 4.03Å; A455-H457 VanDerWaalsContact C-N 3.29Å; A455-H457 PolarHBondContact O-N 3.33Å; H457-Y659 WeakPolarHBondContact O-CD1 3.23Å; H457-P660 WeakPolarHBondContact O-CD 3.23Å; H457-M691 HydrophobicContact CB-CE 4.17Å; H457-R694 HydrophobicContact CB-CG 4.21Å
458	S	95.1	Very high	95.4	Very high	24 Å²	24	21.7 Å²	21.7	17%	0.168	13%	0.127	C	C	.	.			trans	-121.1	158.4	177.2	51.6	0	0	0	0	113.2	Y658 Y659 R694	S458-Y658 CarbonylContact C-O 3.59Å; S458-Y658 WeakPolarHBondContact CA-O 3.28Å; S458-Y658 WeakPolarHBondContact CB-O 3.39Å; S458-Y659 VanDerWaalsContact CB-CE1 3.48Å; S458-Y659 VanDerWaalsContact CB-CZ 3.48Å; S458-R694 PolarHBondContact O-NE 2.78Å
459	V	94.4	Very high	95.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-120.6	141.3	177.8	-58.4	0	0	0	0	110.3	W464 W483 I534 L536 A657 Y658 M691 R694	V459-W464 HydrophobicContact CB-CD2 4.32Å; V459-W464 HydrophobicContact CB-CG 3.95Å; V459-W464 HydrophobicContact CG1-CB 4.14Å; V459-W464 HydrophobicContact CG1-CD2 3.53Å; V459-W464 HydrophobicContact CG1-CE3 4.18Å; V459-W464 HydrophobicContact CG1-CG 3.49Å; V459-W464 VanDerWaalsContact CG1-CG 3.49Å; V459-W464 HydrophobicContact CG1-CZ2 4.41Å; V459-W464 HydrophobicContact CG2-CB 4.43Å; V459-W464 HydrophobicContact CG2-CG 4.19Å; V459-W483 HydrophobicContact CG2-CE3 4.38Å; V459-W483 HydrophobicContact CG2-CH2 4.21Å; V459-W483 HydrophobicContact CG2-CZ3 3.68Å; V459-I534 HydrophobicContact CG2-CG2 3.82Å; V459-L536 HydrophobicContact CG2-CD1 4.02Å; V459-L536 WeakPolarHBondContact O-CD1 3.44Å; V459-A657 CarbonylContact O-C 3.29Å; V459-A657 WeakPolarHBondContact O-CA 3.47Å; V459-Y658 PolarHBondContact N-O 3.15Å; V459-Y658 PolarHBondContact O-N 3.21Å; V459-M691 HydrophobicContact CG1-CE 4.1Å; V459-M691 HydrophobicContact CG1-SD 3.61Å; V459-R694 HydrophobicContact CG1-CG 4.13Å
460	N	91.2	Very high	96.1	Very high	50 Å²	50	14.9 Å²	14.9	27%	0.267	9%	0.089	S	C	.	.	S	Bend	trans	-125.6	-24.4	-175.1	54.2	-13.8	0	0	0	112.8	Y597	N460-Y597 PolarHBondContact ND2-O 3.39Å
461	S	90.9	Very high	96.2	Very high	31 Å²	31	14.9 Å²	14.9	22%	0.217	9%	0.094	C	C	.	.	S	Bend	trans	-146	162.1	172.3	58	0	0	0	0	110.9	W464 L536	S461-W464 PolarHBondContact O-NE1 3.23Å; S461-L536 CarbonylContact C-O 3.57Å; S461-L536 WeakPolarHBondContact CA-O 3.5Å
462	G	93	Very high	96.3	Very high	28 Å²	28	19.4 Å²	19.4	29%	0.289	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-176.8	179.6	0	0	0	0	0	114.5	L536	G462-L536 PolarHBondContact N-O 2.8Å; G462-L536 PolarHBondContact O-N 2.6Å
463	T	96.9	Very high	96.2	Very high	21 Å²	21	21.9 Å²	21.9	13%	0.129	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127	176.1	-41.3	0	0	0	0	109.8	M533 I534 H535 D687 W688 E689	T463-M533 HydrophobicContact CG2-CG 3.8Å; T463-M533 HydrophobicContact CG2-SD 3.65Å; T463-I534 CarbonylContact C-O 3.49Å; T463-I534 VanDerWaalsContact CA-O 3.3Å; T463-I534 WeakPolarHBondContact CA-O 3.37Å; T463-I534 WeakPolarHBondContact CG2-O 3.47Å; T463-H535 HydrophobicContact CG2-CB 4.23Å; T463-H535 PolarHBondContact OG1-ND1 3.27Å; T463-D687 WeakPolarHBondContact CB-O 3.25Å; T463-D687 PolarHBondContact OG1-O 2.71Å; T463-W688 HydrophobicContact CG2-CB 3.72Å; T463-W688 WeakPolarHBondContact O-CA 3.43Å; T463-E689 PolarHBondContact O-N 3.11Å
464	W	97.7	Very high	96	Very high	17 Å²	17	25 Å²	25	6%	0.064	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.1	-172.5	-61.3	88.9	0	0	0	112.3	V459 S461 W483 M533 I534 E689 P690 M691 R694	V459-W464 HydrophobicContact CB-CD2 4.32Å; V459-W464 HydrophobicContact CB-CG 3.95Å; V459-W464 HydrophobicContact CG1-CB 4.14Å; V459-W464 HydrophobicContact CG1-CD2 3.53Å; V459-W464 HydrophobicContact CG1-CE3 4.18Å; V459-W464 HydrophobicContact CG1-CG 3.49Å; V459-W464 VanDerWaalsContact CG1-CG 3.49Å; V459-W464 HydrophobicContact CG1-CZ2 4.41Å; V459-W464 HydrophobicContact CG2-CB 4.43Å; V459-W464 HydrophobicContact CG2-CG 4.19Å; S461-W464 PolarHBondContact O-NE1 3.23Å; W464-W483 HydrophobicContact CB-CH2 4.17Å; W464-M533 VanDerWaalsContact O-CA 3.3Å; W464-M533 WeakPolarHBondContact O-CA 3.3Å; W464-I534 HydrophobicContact CB-CG2 4.03Å; W464-I534 PolarHBondContact N-O 2.67Å; W464-I534 PolarHBondContact O-N 3.28Å; W464-E689 WeakPolarHBondContact CA-O 3.35Å; W464-E689 HydrophobicContact CD2-CB 4.39Å; W464-E689 HydrophobicContact CE3-CB 3.75Å; W464-E689 HydrophobicContact CH2-CB 4.19Å; W464-E689 VanDerWaalsContact CH2-OE2 3.25Å; W464-E689 WeakPolarHBondContact CH2-OE2 3.4Å; W464-E689 HydrophobicContact CZ3-CB 3.63Å; W464-E689 WeakPolarHBondContact CZ3-OE2 3.16Å; W464-P690 WeakPolarHBondContact CZ3-O 3.23Å; W464-M691 HydrophobicContact CB-SD 4.16Å; W464-M691 HydrophobicContact CE3-SD 4.41Å; W464-R694 HydrophobicContact CE3-CB 4.33Å; W464-R694 HydrophobicContact CH2-CB 3.99Å; W464-R694 HydrophobicContact CH2-CG 4.46Å; W464-R694 HydrophobicContact CZ3-CB 3.73Å
465	Y	98.2	Very high	95.8	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.8	-177.7	-175.2	-108.4	0	0	0	113.4	E467 G531 C532 M533 Y640 F678 Y680 P682 W688 E689 M691	Y465-E467 HydrophobicContact CE1-CG 3.76Å; Y465-G531 VanDerWaalsContact CE2-CA 3.44Å; Y465-G531 VanDerWaalsContact OH-CA 3.24Å; Y465-G531 WeakPolarHBondContact OH-CA 3.23Å; Y465-C532 WeakPolarHBondContact CA-O 3.48Å; Y465-M533 HydrophobicContact CD2-CB 4.1Å; Y465-Y640 AromaticContact CE2-CD2 3.97Å; Y465-Y640 HydrophobicContact CE2-CD2 3.97Å; Y465-Y640 HydrophobicContact CE2-CE2 4.37Å; Y465-Y640 HydrophobicContact CE2-CG 4.48Å; Y465-F678 HydrophobicContact CD1-CD1 4.04Å; Y465-F678 HydrophobicContact CD1-CD2 4.15Å; Y465-F678 AromaticContact CD1-CE1 3.75Å; Y465-F678 HydrophobicContact CD1-CE1 3.75Å; Y465-F678 AromaticContact CD1-CE2 3.89Å; Y465-F678 HydrophobicContact CD1-CE2 3.89Å; Y465-F678 HydrophobicContact CD1-CG 4.21Å; Y465-F678 AromaticContact CD1-CZ 3.67Å; Y465-F678 HydrophobicContact CD1-CZ 3.67Å; Y465-F678 AromaticContact CE1-CD1 3.84Å; Y465-F678 HydrophobicContact CE1-CD1 3.84Å; Y465-F678 HydrophobicContact CE1-CD2 4.29Å; Y465-F678 HydrophobicContact CE1-CE1 4.02Å; Y465-F678 HydrophobicContact CE1-CE2 4.45Å; Y465-F678 AromaticContact CE1-CG 3.97Å; Y465-F678 HydrophobicContact CE1-CG 3.97Å; Y465-F678 HydrophobicContact CE1-CZ 4.32Å; Y465-Y680 PolarHBondContact OH-O 2.98Å; Y465-P682 HydrophobicContact CD1-CG 4.05Å; Y465-P682 HydrophobicContact CD2-CG 3.59Å; Y465-P682 VanDerWaalsContact CE1-CD 3.44Å; Y465-P682 HydrophobicContact CE1-CG 3.99Å; Y465-P682 HydrophobicContact CE2-CG 3.51Å; Y465-P682 HydrophobicContact CG-CG 3.84Å; Y465-W688 HydrophobicContact CD1-CH2 4.37Å; Y465-W688 HydrophobicContact CD1-CZ3 4.02Å; Y465-W688 HydrophobicContact CG-CE3 4.35Å; Y465-W688 HydrophobicContact CG-CZ3 4.28Å; Y465-E689 PolarHBondContact N-O 2.68Å; Y465-M691 PolarHBondContact O-N 2.86Å
466	F	98.5	Very high	95.5	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.5	163.5	74.1	-86.4	0	0	0	111	A468 I481 G482 W483 C532 P660 F674 M691	F466-A468 HydrophobicContact CE2-CB 4.34Å; F466-I481 HydrophobicContact CE2-CG2 4.26Å; F466-I481 HydrophobicContact CZ-CG2 4.38Å; F466-G482 WeakPolarHBondContact CZ-O 3.34Å; F466-W483 AromaticContact CD1-CH2 3.96Å; F466-W483 HydrophobicContact CD1-CH2 3.96Å; F466-W483 AromaticContact CD1-CZ2 3.63Å; F466-W483 HydrophobicContact CD1-CZ2 3.63Å; F466-W483 HydrophobicContact CE1-CD2 4.22Å; F466-W483 AromaticContact CE1-CE2 3.65Å; F466-W483 HydrophobicContact CE1-CH2 4.13Å; F466-W483 AromaticContact CE1-CZ2 3.61Å; F466-W483 HydrophobicContact CE1-CZ2 3.61Å; F466-C532 HydrophobicContact CD1-CB 3.78Å; F466-C532 HydrophobicContact CD2-CB 4.31Å; F466-C532 HydrophobicContact CE1-CB 3.34Å; F466-C532 HydrophobicContact CE2-CB 3.92Å; F466-C532 HydrophobicContact CG-CB 4.25Å; F466-C532 HydrophobicContact CZ-CB 3.42Å; F466-C532 VanDerWaalsContact CZ-CB 3.42Å; F466-C532 PolarHBondContact N-O 2.86Å; F466-C532 PolarHBondContact O-N 3.27Å; F466-P660 HydrophobicContact CD1-CB 3.82Å; F466-P660 HydrophobicContact CD1-CG 3.86Å; F466-P660 HydrophobicContact CD2-CB 4.45Å; F466-P660 HydrophobicContact CE1-CB 3.52Å; F466-P660 HydrophobicContact CE1-CG 3.95Å; F466-P660 HydrophobicContact CE2-CB 4.21Å; F466-P660 HydrophobicContact CG-CB 4.28Å; F466-P660 HydrophobicContact CG-CG 4.46Å; F466-P660 HydrophobicContact CZ-CB 3.74Å; F466-F674 HydrophobicContact CB-CD1 3.78Å; F466-F674 HydrophobicContact CB-CE1 4.32Å; F466-F674 HydrophobicContact CD2-CE1 4.32Å; F466-F674 HydrophobicContact CG-CD1 4.28Å; F466-F674 HydrophobicContact CG-CE1 4.33Å; F466-M691 HydrophobicContact CB-CB 4.39Å; F466-M691 HydrophobicContact CB-CG 4.04Å; F466-M691 HydrophobicContact CD1-CG 4.39Å
467	E	98.4	Very high	95.5	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.7	172.8	-70.2	178.3	140.9	0	0	111.4	Y465 I529 I530 N673 F678 K679 Y680	Y465-E467 HydrophobicContact CE1-CG 3.76Å; E467-I529 HydrophobicContact CB-CG2 3.96Å; E467-I529 HydrophobicContact CG-CG2 4.02Å; E467-I530 CarbonylContact C-O 3.57Å; E467-I530 WeakPolarHBondContact CA-O 3.5Å; E467-N673 HydrophobicContact CB-CB 4.17Å; E467-N673 PolarHBondContact N-O 3.41Å; E467-N673 PolarHBondContact O-N 3.29Å; E467-N673 PolarHBondContact OE2-ND2 2.68Å; E467-F678 HydrophobicContact CB-CD1 4.35Å; E467-F678 HydrophobicContact CG-CB 4.46Å; E467-F678 HydrophobicContact CG-CD1 3.67Å; E467-F678 HydrophobicContact CG-CE1 4.41Å; E467-F678 HydrophobicContact CG-CG 4.43Å; E467-F678 WeakPolarHBondContact OE2-CA 3.44Å; E467-K679 PolarHBondContact OE1-N 2.83Å; E467-K679 PolarHBondContact OE2-N 2.85Å; E467-Y680 WeakPolarHBondContact OE1-CA 3.36Å; E467-Y680 PolarHBondContact OE1-N 2.87Å
468	A	98.3	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121	169.2	0	0	0	0	0	111.2	F466 I481 I530 I662 V670 S671 V672	F466-A468 HydrophobicContact CE2-CB 4.34Å; A468-I481 HydrophobicContact CB-CD1 3.84Å; A468-I481 HydrophobicContact CB-CG2 3.87Å; A468-I530 PolarHBondContact N-O 2.95Å; A468-I530 PolarHBondContact O-N 2.98Å; A468-I662 HydrophobicContact CB-CD1 4.31Å; A468-V670 HydrophobicContact CB-CG1 3.95Å; A468-S671 CarbonylContact C-O 3.41Å; A468-S671 WeakPolarHBondContact CA-O 3.43Å; A468-V672 HydrophobicContact CB-CG1 4.36Å
469	T	98.3	Very high	95.6	Very high	36 Å²	36	34.2 Å²	34.2	22%	0.221	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129	-177.1	-57.1	0	0	0	0	110.4	T471 I529 V670 S671	T469-T471 HydrophobicContact CG2-CG2 4.32Å; T469-T471 PolarHBondContact O-N 2.84Å; T469-T471 VanDerWaalsContact O-N 3.13Å; T469-I529 HydrophobicContact CG2-CD1 4.47Å; T469-I529 HydrophobicContact CG2-CG1 4.05Å; T469-V670 WeakPolarHBondContact O-CA 3.31Å; T469-S671 PolarHBondContact N-O 2.9Å; T469-S671 PolarHBondContact O-N 2.99Å
470	I	97.9	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	87.6	178.7	-46	-54.2	0	0	0	109.8	E472 Q473 I481 Y524 K525 K526 D527 D528 V670	I470-E472 PolarHBondContact O-N 3.17Å; I470-Q473 HydrophobicContact CG2-CB 3.91Å; I470-Q473 HydrophobicContact CG2-CG 4.47Å; I470-I481 HydrophobicContact CD1-CD1 3.57Å; I470-Y524 HydrophobicContact CD1-CD2 4.01Å; I470-Y524 HydrophobicContact CD1-CE2 3.71Å; I470-Y524 HydrophobicContact CG1-CD2 3.82Å; I470-Y524 HydrophobicContact CG1-CE2 4.06Å; I470-K525 WeakPolarHBondContact CB-O 3.35Å; I470-K525 WeakPolarHBondContact CG1-O 3.38Å; I470-K526 WeakPolarHBondContact O-CA 3.28Å; I470-D527 PolarHBondContact O-N 2.86Å; I470-D528 PolarHBondContact N-O 3.21Å; I470-V670 HydrophobicContact CD1-CG1 4.26Å; I470-V670 HydrophobicContact CD1-CG2 4.01Å
471	T	96.9	Very high	96.1	Very high	49 Å²	49	32.9 Å²	32.9	30%	0.301	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-30.5	-175.8	59.4	0	0	0	0	112.8	T469 K526 T669	T469-T471 HydrophobicContact CG2-CG2 4.32Å; T469-T471 PolarHBondContact O-N 2.84Å; T469-T471 VanDerWaalsContact O-N 3.13Å; T471-K526 WeakPolarHBondContact O-CE 3.41Å; T471-T669 PolarHBondContact N-O 2.94Å; T471-T669 VanDerWaalsContact N-O 3.13Å; T471-T669 WeakPolarHBondContact OG1-CB 3.49Å; T471-T669 VanDerWaalsContact OG1-CG2 3.27Å; T471-T669 WeakPolarHBondContact OG1-CG2 3.4Å; T471-T669 PolarHBondContact OG1-O 2.89Å
472	E	96.1	Very high	96.4	Very high	102 Å²	102	31.4 Å²	31.4	48%	0.477	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	137.4	177.1	-56.2	177.4	126.3	0	0	110.8	I470 A668 T669	I470-E472 PolarHBondContact O-N 3.17Å; E472-A668 CarbonylContact O-C 3.5Å; E472-A668 WeakPolarHBondContact O-CA 3.1Å; E472-A668 WeakPolarHBondContact O-CB 3.49Å; E472-T669 PolarHBondContact N-O 3.41Å; E472-T669 PolarHBondContact O-N 3.43Å; E472-T669 VanDerWaalsContact OE2-CB 3.24Å; E472-T669 WeakPolarHBondContact OE2-CB 3.45Å; E472-T669 PolarHBondContact OE2-OG1 2.95Å
473	Q	94	Very high	96.7	Very high	52 Å²	52	30 Å²	30	24%	0.243	17%	0.165	C	C	.	.			trans	-147.9	79.1	176.3	-165.7	-175.3	65.4	0	0	110.3	I470 S477 S505 K526	I470-Q473 HydrophobicContact CG2-CB 3.91Å; I470-Q473 HydrophobicContact CG2-CG 4.47Å; Q473-S477 WeakPolarHBondContact CG-OG 3.2Å; Q473-S505 PolarHBondContact NE2-OG 2.87Å; Q473-K526 HydrophobicContact CB-CB 4.34Å
474	P	94.2	Very high	96.7	Very high	66 Å²	66	29 Å²	29	43%	0.429	16%	0.159	S	C	.	.			trans	-60.3	160.9	177.2	-23.9	35.4	0	0	0	112.9	G476 S477 S667	P474-G476 PolarHBondContact O-N 3.36Å; P474-S477 VanDerWaalsContact O-CB 3.23Å; P474-S477 WeakPolarHBondContact O-CB 3.35Å; P474-S477 PolarHBondContact O-N 3.46Å; P474-S477 PolarHBondContact O-OG 3.18Å; P474-S667 WeakPolarHBondContact CD-O 3.38Å; P474-S667 WeakPolarHBondContact CG-O 3.27Å
475	E	92.1	Very high	96.6	Very high	201 Å²	201	28.7 Å²	28.7	94%	0.939	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	135.5	-178.9	-164.1	-173.3	158.6	0	0	112.2	S477	E475-S477 PolarHBondContact O-N 2.96Å; E475-S477 VanDerWaalsContact O-N 3.14Å
476	G	92.3	Very high	96.3	Very high	38 Å²	38	30.4 Å²	30.4	39%	0.392	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	10.1	-178.7	0	0	0	0	0	114.5	P474 Y665 K666	P474-G476 PolarHBondContact O-N 3.36Å; G476-Y665 WeakPolarHBondContact O-CD1 3.49Å; G476-Y665 VanDerWaalsContact O-CE1 3.27Å; G476-Y665 WeakPolarHBondContact O-CE1 3.34Å; G476-K666 WeakPolarHBondContact O-CD 3.39Å; G476-K666 WeakPolarHBondContact O-CE 3.42Å; G476-K666 PolarHBondContact O-NZ 2.92Å
477	S	95.4	Very high	96	Very high	16 Å²	16	32.9 Å²	32.9	11%	0.112	18%	0.176	C	C	.	.			trans	-81.4	168.5	155.8	76.4	0	0	0	0	110.3	Q473 P474 E475 Y665	Q473-S477 WeakPolarHBondContact CG-OG 3.2Å; P474-S477 VanDerWaalsContact O-CB 3.23Å; P474-S477 WeakPolarHBondContact O-CB 3.35Å; P474-S477 PolarHBondContact O-N 3.46Å; P474-S477 PolarHBondContact O-OG 3.18Å; E475-S477 PolarHBondContact O-N 2.96Å; E475-S477 VanDerWaalsContact O-N 3.14Å; S477-Y665 WeakPolarHBondContact CA-O 3.4Å; S477-Y665 VanDerWaalsContact CB-O 3.3Å; S477-Y665 WeakPolarHBondContact CB-O 3.32Å
478	A	95.9	Very high	95.7	Very high	7 Å²	7	32.9 Å²	32.9	6%	0.058	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	163.6	172.9	0	0	0	0	0	110.1	Y665	A478-Y665 HydrophobicContact CB-CD1 4.38Å; A478-Y665 PolarHBondContact N-O 3.33Å; A478-Y665 WeakPolarHBondContact O-CB 3.36Å; A478-Y665 PolarHBondContact O-N 2.83Å
479	T	97.4	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160.4	173.5	56.1	0	0	0	0	111.3	S505 Y524 S663 I664 A668 V670	T479-S505 PolarHBondContact N-OG 2.88Å; T479-S505 PolarHBondContact O-N 3.18Å; T479-S505 WeakPolarHBondContact OG1-CB 3.38Å; T479-Y524 WeakPolarHBondContact OG1-CE2 3.19Å; T479-S663 CarbonylContact C-O 3.59Å; T479-S663 WeakPolarHBondContact CA-O 3.34Å; T479-I664 HydrophobicContact CG2-CG1 4.31Å; T479-A668 HydrophobicContact CG2-CB 3.81Å; T479-V670 HydrophobicContact CG2-CG2 3.65Å
480	R	97.6	Very high	95.2	Very high	21 Å²	21	34.1 Å²	34.1	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131.2	167.7	-64	-170.2	-168.8	-172.6	-0.9	108.2	Y450 C494 W503 R504 F511 S663	Y450-R480 HydrophobicContact CE1-CG 4.13Å; R480-C494 HydrophobicContact CB-CB 4.5Å; R480-C494 WeakPolarHBondContact CD-O 3.29Å; R480-C494 PolarHBondContact NH1-O 2.82Å; R480-W503 WeakPolarHBondContact CA-O 3.15Å; R480-R504 HydrophobicContact CG-CB 4.13Å; R480-R504 HydrophobicContact CG-CG 4.09Å; R480-F511 VanDerWaalsContact NH1-CD1 3.34Å; R480-S663 PolarHBondContact N-O 3.44Å; R480-S663 PolarHBondContact O-N 2.82Å
481	I	98.1	Very high	94.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140	-172.9	-55	178.4	0	0	0	108.5	F466 A468 I470 S502 W503 Y524 I530 C532 F639 I662 V670	F466-I481 HydrophobicContact CE2-CG2 4.26Å; F466-I481 HydrophobicContact CZ-CG2 4.38Å; A468-I481 HydrophobicContact CB-CD1 3.84Å; A468-I481 HydrophobicContact CB-CG2 3.87Å; I470-I481 HydrophobicContact CD1-CD1 3.57Å; I481-S502 CarbonylContact O-C 3.6Å; I481-S502 VanDerWaalsContact O-CA 3.26Å; I481-S502 WeakPolarHBondContact O-CA 3.45Å; I481-S502 WeakPolarHBondContact O-CB 3.35Å; I481-W503 PolarHBondContact N-O 2.88Å; I481-W503 VanDerWaalsContact N-O 3.09Å; I481-W503 PolarHBondContact O-N 3.06Å; I481-Y524 HydrophobicContact CD1-CE2 4.15Å; I481-I530 HydrophobicContact CD1-CB 4.4Å; I481-I530 HydrophobicContact CD1-CG1 4.3Å; I481-C532 VanDerWaalsContact CG2-SG 3.57Å; I481-F639 WeakPolarHBondContact O-CE1 3.43Å; I481-I662 HydrophobicContact CG1-CG1 4.34Å; I481-I662 HydrophobicContact CG2-CG1 4.19Å; I481-V670 HydrophobicContact CD1-CG1 4.09Å
482	G	98.2	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-129.7	178.5	0	0	0	0	0	112.2	F466 Y501 A661	F466-G482 WeakPolarHBondContact CZ-O 3.34Å; G482-Y501 WeakPolarHBondContact CA-O 3.36Å; G482-A661 PolarHBondContact N-O 2.82Å; G482-A661 PolarHBondContact O-N 2.8Å
483	W	98.5	Very high	94.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.1	-169.5	-62.1	88.4	0	0	0	111.4	V459 W464 F466 S500 Y501 I534 I637 Y658 Y659 P660 M691	V459-W483 HydrophobicContact CG2-CE3 4.38Å; V459-W483 HydrophobicContact CG2-CH2 4.21Å; V459-W483 HydrophobicContact CG2-CZ3 3.68Å; W464-W483 HydrophobicContact CB-CH2 4.17Å; F466-W483 AromaticContact CD1-CH2 3.96Å; F466-W483 HydrophobicContact CD1-CH2 3.96Å; F466-W483 AromaticContact CD1-CZ2 3.63Å; F466-W483 HydrophobicContact CD1-CZ2 3.63Å; F466-W483 HydrophobicContact CE1-CD2 4.22Å; F466-W483 AromaticContact CE1-CE2 3.65Å; F466-W483 HydrophobicContact CE1-CH2 4.13Å; F466-W483 AromaticContact CE1-CZ2 3.61Å; F466-W483 HydrophobicContact CE1-CZ2 3.61Å; W483-S500 WeakPolarHBondContact O-CA 3.35Å; W483-Y501 PolarHBondContact N-O 2.93Å; W483-Y501 PolarHBondContact O-N 2.81Å; W483-I534 HydrophobicContact CB-CD1 4.36Å; W483-I534 HydrophobicContact CD2-CB 4.03Å; W483-I534 HydrophobicContact CD2-CD1 4Å; W483-I534 HydrophobicContact CD2-CG2 4.04Å; W483-I534 HydrophobicContact CE3-CD1 4.26Å; W483-I534 HydrophobicContact CE3-CG2 4.12Å; W483-I534 HydrophobicContact CG-CB 4.44Å; W483-I534 HydrophobicContact CG-CD1 4.04Å; W483-I534 HydrophobicContact CH2-CB 4.34Å; W483-I534 HydrophobicContact CH2-CG2 3.45Å; W483-I534 VanDerWaalsContact CH2-CG2 3.45Å; W483-I534 HydrophobicContact CZ2-CB 3.78Å; W483-I534 HydrophobicContact CZ2-CG2 3.35Å; W483-I534 HydrophobicContact CZ3-CG2 3.84Å; W483-I637 HydrophobicContact CB-CD1 4.26Å; W483-I637 HydrophobicContact CG-CD1 4.4Å; W483-Y658 HydrophobicContact CB-CD1 4Å; W483-Y659 WeakPolarHBondContact CA-O 3.5Å; W483-P660 HydrophobicContact CE3-CG 4.25Å; W483-P660 HydrophobicContact CH2-CG 4.05Å; W483-P660 HydrophobicContact CZ3-CG 3.71Å; W483-M691 HydrophobicContact CH2-CG 4.18Å; W483-M691 HydrophobicContact CH2-SD 3.71Å; W483-M691 HydrophobicContact CZ3-SD 3.99Å
484	S	97.8	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.9	176.5	178.9	0	0	0	0	110.4	R454 F499 Y659	R454-S484 PolarHBondContact NH1-OG 3.42Å; S484-F499 CarbonylContact C-O 3.59Å; S484-F499 WeakPolarHBondContact CA-O 3.1Å; S484-Y659 PolarHBondContact N-O 3.08Å; S484-Y659 PolarHBondContact O-N 3.3Å
485	Q	95.3	Very high	95	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.047	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	167.8	161.1	-52	-171.2	0.8	0	0	110.4	R454 Y487 G488 F499 A655 A657 Y658	R454-Q485 PolarHBondContact NH1-O 3Å; R454-Q485 VanDerWaalsContact NH1-O 3.14Å; Q485-Y487 PolarHBondContact O-N 2.82Å; Q485-G488 PolarHBondContact O-N 3.04Å; Q485-F499 HydrophobicContact CB-CB 4.2Å; Q485-F499 HydrophobicContact CB-CD1 4.4Å; Q485-F499 PolarHBondContact N-O 2.99Å; Q485-A655 PolarHBondContact NE2-O 2.77Å; Q485-A657 WeakPolarHBondContact CA-O 3.42Å; Q485-Y658 HydrophobicContact CG-CD1 3.84Å; Q485-Y658 HydrophobicContact CG-CD2 4.47Å; Q485-Y658 HydrophobicContact CG-CE1 3.52Å; Q485-Y658 HydrophobicContact CG-CE2 4.21Å; Q485-Y658 HydrophobicContact CG-CG 4.3Å; Q485-Y658 PolarHBondContact NE2-OH 2.81Å; Q485-Y658 VanDerWaalsContact NE2-OH 3.11Å
486	M	91.3	Very high	95.2	Very high	37 Å²	37	22.6 Å²	22.6	18%	0.182	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.1	-177.8	64.7	-173.4	71.2	0	0	114.5	R454 G488 Y659	R454-M486 VanDerWaalsContact CZ-O 3.22Å; R454-M486 PolarHBondContact NH1-O 3.43Å; R454-M486 PolarHBondContact NH2-O 2.99Å; M486-G488 VanDerWaalsContact C-N 3.33Å; M486-G488 PolarHBondContact O-N 2.98Å; M486-Y659 HydrophobicContact CB-CE2 4.09Å
487	Y	91.6	Very high	95.3	Very high	52 Å²	52	22 Å²	22	20%	0.204	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.4	-176.4	-61	-71.9	0	0	0	114.8	Q485 F499 D620 V625	Q485-Y487 PolarHBondContact O-N 2.82Å; Y487-F499 HydrophobicContact CD2-CE1 4.2Å; Y487-F499 HydrophobicContact CG-CE1 4.32Å; Y487-F499 HydrophobicContact CG-CZ 4.44Å; Y487-D620 WeakPolarHBondContact CE1-OD1 3.34Å; Y487-V625 HydrophobicContact CD1-CG2 4.42Å; Y487-V625 HydrophobicContact CD2-CB 4.26Å; Y487-V625 HydrophobicContact CD2-CG1 3.81Å; Y487-V625 HydrophobicContact CD2-CG2 4.27Å; Y487-V625 HydrophobicContact CE1-CG2 4.04Å; Y487-V625 HydrophobicContact CE2-CB 4.28Å; Y487-V625 HydrophobicContact CE2-CG1 3.77Å; Y487-V625 HydrophobicContact CE2-CG2 3.9Å
488	G	92.2	Very high	95.3	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.031	11%	0.111	C	C	.	.	S	Bend	trans	-65.3	133.8	175.3	0	0	0	0	0	111.4	R454 Q485 M486 L490 D497	R454-G488 PolarHBondContact NH1-O 2.91Å; Q485-G488 PolarHBondContact O-N 3.04Å; M486-G488 VanDerWaalsContact C-N 3.33Å; M486-G488 PolarHBondContact O-N 2.98Å; G488-L490 PolarHBondContact O-N 2.96Å; G488-D497 VanDerWaalsContact CA-OD2 3.28Å; G488-D497 WeakPolarHBondContact CA-OD2 3.45Å
489	N	92.8	Very high	95.3	Very high	50 Å²	50	23.7 Å²	23.7	27%	0.267	11%	0.11	S	C	.	.			trans	-71.9	117.5	-172.6	-172.6	-20.1	0	0	0	111.4	E381 Q491 A492 D497	E381-N489 PolarHBondContact OE1-ND2 2.97Å; N489-Q491 VanDerWaalsContact C-N 3.26Å; N489-Q491 PolarHBondContact O-N 2.86Å; N489-Q491 PolarHBondContact OD1-N 2.82Å; N489-A492 HydrophobicContact CB-CB 3.97Å; N489-A492 WeakPolarHBondContact O-CB 3.26Å; N489-A492 PolarHBondContact O-N 2.95Å; N489-D497 PolarHBondContact N-OD2 3.3Å
490	L	93.9	Very high	95.3	Very high	13 Å²	13	23.7 Å²	23.7	7%	0.068	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.5	-179.4	-66.8	171.3	0	0	0	113.8	N379 D430 A432 M452 G488 A492	N379-L490 HydrophobicContact CB-CD1 3.99Å; D430-L490 WeakPolarHBondContact O-CD2 3.42Å; A432-L490 WeakPolarHBondContact CB-O 3.48Å; M452-L490 HydrophobicContact CE-CD2 4.34Å; M452-L490 PolarHBondContact N-O 2.92Å; G488-L490 PolarHBondContact O-N 2.96Å; L490-A492 VanDerWaalsContact C-N 3.26Å
491	Q	92	Very high	95.3	Very high	74 Å²	74	23 Å²	23	35%	0.346	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.2	176.7	-55.7	-63.7	-22.4	0	0	112.8	N489	N489-Q491 VanDerWaalsContact C-N 3.26Å; N489-Q491 PolarHBondContact O-N 2.86Å; N489-Q491 PolarHBondContact OD1-N 2.82Å
492	A	93.4	Very high	95.3	Very high	9 Å²	9	23 Å²	23	7%	0.074	11%	0.108	C	C	.	.	S	Bend	trans	-103.2	162.3	177.5	0	0	0	0	0	111.4	N489 L490 Y496	N489-A492 HydrophobicContact CB-CB 3.97Å; N489-A492 WeakPolarHBondContact O-CB 3.26Å; N489-A492 PolarHBondContact O-N 2.95Å; L490-A492 VanDerWaalsContact C-N 3.26Å; A492-Y496 HydrophobicContact CB-CD1 3.66Å; A492-Y496 HydrophobicContact CB-CD2 4.44Å; A492-Y496 HydrophobicContact CB-CE1 4.37Å; A492-Y496 HydrophobicContact CB-CG 3.71Å
493	P	96.2	Very high	95.3	Very high	20 Å²	20	23.1 Å²	23.1	13%	0.13	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-69.7	143.1	165.9	26	-30.2	0	0	0	111.5	Y450 G495 Y496	Y450-P493 HydrophobicContact CD1-CB 3.68Å; Y450-P493 HydrophobicContact CD2-CB 4.04Å; Y450-P493 HydrophobicContact CD2-CG 4.15Å; Y450-P493 HydrophobicContact CE1-CB 4.05Å; Y450-P493 HydrophobicContact CE2-CB 4.39Å; Y450-P493 HydrophobicContact CG-CB 3.66Å; Y450-P493 HydrophobicContact CG-CG 4.12Å; P493-G495 PolarHBondContact O-N 2.86Å; P493-Y496 WeakPolarHBondContact O-CB 3.38Å; P493-Y496 PolarHBondContact O-N 3.02Å
494	C	97.2	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	137.2	168	-167.8	0	0	0	0	110.1	M452 R480 S502 S663	M452-C494 HydrophobicContact SD-CB 3.73Å; R480-C494 HydrophobicContact CB-CB 4.5Å; R480-C494 WeakPolarHBondContact CD-O 3.29Å; R480-C494 PolarHBondContact NH1-O 2.82Å; C494-S502 PolarHBondContact O-OG 2.91Å; C494-S663 VanDerWaalsContact CB-OG 3.29Å; C494-S663 WeakPolarHBondContact CB-OG 3.44Å; C494-S663 PolarHBondContact N-OG 3.03Å
495	G	96.6	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	22.4	-168.8	0	0	0	0	0	114.6	P493 S500 F511 H512 S514	P493-G495 PolarHBondContact O-N 2.86Å; G495-S500 WeakPolarHBondContact CA-OG 3.34Å; G495-S500 PolarHBondContact N-OG 3.23Å; G495-F511 WeakPolarHBondContact CA-O 3.31Å; G495-H512 CarbonylContact O-C 3.25Å; G495-S514 WeakPolarHBondContact O-CA 3.49Å; G495-S514 PolarHBondContact O-N 2.98Å
496	Y	96.4	Very high	95	Very high	124 Å²	124	33.7 Å²	33.7	49%	0.486	15%	0.149	S	C	.	.	S	Bend	trans	-80.7	-42.2	169	172.2	-101.5	0	0	0	112	A492 P493 E513 S514	A492-Y496 HydrophobicContact CB-CD1 3.66Å; A492-Y496 HydrophobicContact CB-CD2 4.44Å; A492-Y496 HydrophobicContact CB-CE1 4.37Å; A492-Y496 HydrophobicContact CB-CG 3.71Å; P493-Y496 WeakPolarHBondContact O-CB 3.38Å; P493-Y496 PolarHBondContact O-N 3.02Å; Y496-E513 CarbonylContact O-C 3.6Å; Y496-E513 VanDerWaalsContact O-C 3.25Å; Y496-E513 WeakPolarHBondContact O-CA 3.08Å; Y496-S514 WeakPolarHBondContact CA-OG 3.12Å; Y496-S514 WeakPolarHBondContact CD2-OG 3.33Å; Y496-S514 PolarHBondContact O-N 3.04Å; Y496-S514 PolarHBondContact O-OG 3.02Å
497	D	94.2	Very high	94.9	Very high	25 Å²	25	37.1 Å²	37.1	13%	0.134	17%	0.167	C	C	.	.	S	Bend	trans	-109.3	-174.7	-175.7	52.2	45.2	0	0	0	111.7	G488 N489 F499 S500 E513	G488-D497 VanDerWaalsContact CA-OD2 3.28Å; G488-D497 WeakPolarHBondContact CA-OD2 3.45Å; N489-D497 PolarHBondContact N-OD2 3.3Å; D497-F499 VanDerWaalsContact C-N 3.33Å; D497-F499 HydrophobicContact CB-CD2 4.38Å; D497-F499 WeakPolarHBondContact OD1-CA 3.11Å; D497-F499 WeakPolarHBondContact OD1-CB 3.49Å; D497-F499 PolarHBondContact OD1-N 3.27Å; D497-S500 WeakPolarHBondContact OD1-CB 3.44Å; D497-S500 PolarHBondContact OD1-N 3.32Å; D497-S500 VanDerWaalsContact OD1-N 3.12Å; D497-S500 PolarHBondContact OD1-OG 3.34Å; D497-E513 PolarHBondContact O-N 3.26Å; D497-E513 VanDerWaalsContact O-N 3.09Å
498	K	95.4	Very high	95.1	Very high	54 Å²	54	34.7 Å²	34.7	24%	0.235	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.2	173.6	-72.9	176.2	-174.1	156.2	0	113.8	S500 H512 E513 E626 L629 Y654	K498-S500 VanDerWaalsContact C-N 3.3Å; K498-H512 PolarHBondContact O-CE1 3.32Å; K498-E513 WeakPolarHBondContact CE-OE2 3.44Å; K498-E513 HydrophobicContact CG-CG 3.71Å; K498-E513 WeakPolarHBondContact CG-OE2 3.26Å; K498-E626 HydrophobicContact CD-CG 3.77Å; K498-E626 WeakPolarHBondContact CE-OE1 3.45Å; K498-E626 IonicContact NZ-OE1 2.69Å; K498-E626 PolarHBondContact NZ-OE1 3.33Å; K498-L629 HydrophobicContact CB-CD1 3.69Å; K498-L629 HydrophobicContact CD-CD1 4.38Å; K498-Y654 HydrophobicContact CB-CD2 4.26Å; K498-Y654 HydrophobicContact CB-CE2 3.79Å; K498-Y654 HydrophobicContact CD-CE2 4.25Å; K498-Y654 HydrophobicContact CG-CE2 3.99Å; K498-Y654 WeakPolarHBondContact O-CD2 3.48Å
499	F	95.1	Very high	95.3	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.026	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.3	-176.8	-60.2	-69.1	0	0	0	112.5	S484 Q485 Y487 D497 P622 V625 E626 L629	S484-F499 CarbonylContact C-O 3.59Å; S484-F499 WeakPolarHBondContact CA-O 3.1Å; Q485-F499 HydrophobicContact CB-CB 4.2Å; Q485-F499 HydrophobicContact CB-CD1 4.4Å; Q485-F499 PolarHBondContact N-O 2.99Å; Y487-F499 HydrophobicContact CD2-CE1 4.2Å; Y487-F499 HydrophobicContact CG-CE1 4.32Å; Y487-F499 HydrophobicContact CG-CZ 4.44Å; D497-F499 VanDerWaalsContact C-N 3.33Å; D497-F499 HydrophobicContact CB-CD2 4.38Å; D497-F499 WeakPolarHBondContact OD1-CA 3.11Å; D497-F499 WeakPolarHBondContact OD1-CB 3.49Å; D497-F499 PolarHBondContact OD1-N 3.27Å; F499-P622 HydrophobicContact CE2-CB 4.1Å; F499-P622 HydrophobicContact CZ-CB 4.45Å; F499-V625 HydrophobicContact CE1-CB 4.34Å; F499-V625 HydrophobicContact CE1-CG1 4.04Å; F499-V625 HydrophobicContact CZ-CB 4.27Å; F499-V625 HydrophobicContact CZ-CG1 4.47Å; F499-E626 HydrophobicContact CZ-CB 4.03Å; F499-E626 HydrophobicContact CZ-CG 4.49Å; F499-L629 HydrophobicContact CD1-CD1 4.02Å; F499-L629 HydrophobicContact CD1-CD2 4.19Å; F499-L629 HydrophobicContact CE1-CD1 3.72Å; F499-L629 HydrophobicContact CE1-CD2 3.93Å; F499-L629 HydrophobicContact CE1-CG 4.05Å; F499-L629 HydrophobicContact CZ-CD1 4.24Å
500	S	97.3	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.6	-169.2	59.5	0	0	0	0	113.9	W483 G495 D497 K498 H512	W483-S500 WeakPolarHBondContact O-CA 3.35Å; G495-S500 WeakPolarHBondContact CA-OG 3.34Å; G495-S500 PolarHBondContact N-OG 3.23Å; D497-S500 WeakPolarHBondContact OD1-CB 3.44Å; D497-S500 PolarHBondContact OD1-N 3.32Å; D497-S500 VanDerWaalsContact OD1-N 3.12Å; D497-S500 PolarHBondContact OD1-OG 3.34Å; K498-S500 VanDerWaalsContact C-N 3.3Å; S500-H512 PolarHBondContact O-ND1 3.03Å
501	Y	98.3	Very high	95.7	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.027	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	129.5	-175.1	-61.8	-94.5	0	0	0	109	G482 W483 H512 I637 F650 I653 Y654 Y658	G482-Y501 WeakPolarHBondContact CA-O 3.36Å; W483-Y501 PolarHBondContact N-O 2.93Å; W483-Y501 PolarHBondContact O-N 2.81Å; Y501-H512 HydrophobicContact CD1-CB 3.97Å; Y501-H512 AromaticContact CD1-CE1 3.96Å; Y501-H512 AromaticContact CD1-CG 3.69Å; Y501-H512 AromaticContact CD1-ND1 3.46Å; Y501-H512 WeakPolarHBondContact CD1-ND1 3.38Å; Y501-H512 HydrophobicContact CE1-CB 4.3Å; Y501-H512 AromaticContact CE1-CD2 3.76Å; Y501-H512 AromaticContact CE1-CE1 3.25Å; Y501-H512 WeakPolarHBondContact CE1-CE1 3.39Å; Y501-H512 AromaticContact CE1-CG 3.57Å; Y501-H512 AromaticContact CE1-ND1 3.26Å; Y501-H512 VanDerWaalsContact CE1-ND1 3.26Å; Y501-H512 WeakPolarHBondContact CE1-ND1 3.43Å; Y501-H512 AromaticContact CE1-NE2 3.59Å; Y501-H512 AromaticContact CE2-CE1 3.89Å; Y501-H512 AromaticContact CG-ND1 3.97Å; Y501-H512 AromaticContact CZ-CE1 3.21Å; Y501-H512 AromaticContact CZ-ND1 3.57Å; Y501-H512 AromaticContact CZ-NE2 3.8Å; Y501-H512 PolarHBondContact OH-CE1 3.06Å; Y501-I637 HydrophobicContact CD2-CD1 4.25Å; Y501-I637 HydrophobicContact CG-CD1 3.92Å; Y501-F650 HydrophobicContact CD1-CB 4.16Å; Y501-F650 AromaticContact CD1-CD1 3.64Å; Y501-F650 HydrophobicContact CD1-CD1 3.64Å; Y501-F650 HydrophobicContact CD1-CD2 4.01Å; Y501-F650 AromaticContact CD1-CE1 3.93Å; Y501-F650 HydrophobicContact CD1-CE1 3.93Å; Y501-F650 HydrophobicContact CD1-CE2 4.28Å; Y501-F650 AromaticContact CD1-CG 3.66Å; Y501-F650 HydrophobicContact CD1-CG 3.66Å; Y501-F650 HydrophobicContact CD1-CZ 4.23Å; Y501-F650 HydrophobicContact CE1-CD1 4.24Å; Y501-F650 HydrophobicContact CE1-CG 4.41Å; Y501-F650 HydrophobicContact CG-CD2 4.41Å; Y501-F650 HydrophobicContact CG-CG 4.46Å; Y501-I653 HydrophobicContact CD1-CG2 3.9Å; Y501-I653 HydrophobicContact CD2-CG2 4.46Å; Y501-I653 HydrophobicContact CE1-CB 4.05Å; Y501-I653 HydrophobicContact CE1-CG2 3.49Å; Y501-I653 VanDerWaalsContact CE1-CG2 3.49Å; Y501-I653 HydrophobicContact CE2-CB 3.99Å; Y501-I653 HydrophobicContact CE2-CG2 4.14Å; Y501-I653 HydrophobicContact CG-CG2 4.36Å; Y501-Y654 WeakPolarHBondContact OH-CD2 3.11Å; Y501-Y654 PolarHBondContact OH-N 2.86Å; Y501-Y654 VanDerWaalsContact OH-N 3.12Å; Y501-Y658 AromaticContact CD2-CE1 3.82Å; Y501-Y658 HydrophobicContact CD2-CE1 3.82Å; Y501-Y658 AromaticContact CE2-CE1 3.79Å; Y501-Y658 HydrophobicContact CE2-CE1 3.79Å; Y501-Y658 AromaticContact CE2-CZ 3.98Å; Y501-Y658 WeakPolarHBondContact CE2-OH 3.44Å
502	S	98	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	164.3	-176.2	64.9	0	0	0	0	114.7	I481 C494 A510 F511	I481-S502 CarbonylContact O-C 3.6Å; I481-S502 VanDerWaalsContact O-CA 3.26Å; I481-S502 WeakPolarHBondContact O-CA 3.45Å; I481-S502 WeakPolarHBondContact O-CB 3.35Å; C494-S502 PolarHBondContact O-OG 2.91Å; S502-A510 CarbonylContact O-C 3.55Å; S502-A510 WeakPolarHBondContact O-CA 3.41Å; S502-F511 PolarHBondContact N-O 3.06Å; S502-F511 PolarHBondContact O-N 2.97Å
503	W	97.8	Very high	96.1	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.7	165.7	-175.9	30.1	0	0	0	109.7	R480 I481 G508 Y519 V520 Y524 I530 F639 H641 M646	R480-W503 WeakPolarHBondContact CA-O 3.15Å; I481-W503 PolarHBondContact N-O 2.88Å; I481-W503 VanDerWaalsContact N-O 3.09Å; I481-W503 PolarHBondContact O-N 3.06Å; W503-G508 VanDerWaalsContact CD1-O 3.26Å; W503-G508 VanDerWaalsContact NE1-C 3.26Å; W503-G508 PolarHBondContact NE1-O 3.08Å; W503-Y519 AromaticContact CD1-CD1 3.8Å; W503-Y519 HydrophobicContact CD2-CE1 4.26Å; W503-Y519 HydrophobicContact CG-CD1 4.35Å; W503-Y519 HydrophobicContact CG-CE1 4.35Å; W503-Y519 AromaticContact NE1-CD1 3.7Å; W503-V520 HydrophobicContact CZ2-CG2 3.58Å; W503-Y524 HydrophobicContact CB-CE1 4.42Å; W503-Y524 AromaticContact CD2-CD1 3.79Å; W503-Y524 HydrophobicContact CD2-CD1 3.79Å; W503-Y524 AromaticContact CD2-CE1 3.63Å; W503-Y524 HydrophobicContact CD2-CE1 3.63Å; W503-Y524 AromaticContact CE2-CD1 3.74Å; W503-Y524 AromaticContact CE2-CE1 3.98Å; W503-Y524 AromaticContact CE3-CD1 3.87Å; W503-Y524 HydrophobicContact CE3-CD1 3.87Å; W503-Y524 AromaticContact CE3-CE1 3.84Å; W503-Y524 HydrophobicContact CE3-CE1 3.84Å; W503-Y524 HydrophobicContact CG-CD1 4.48Å; W503-Y524 AromaticContact CG-CE1 3.92Å; W503-Y524 HydrophobicContact CG-CE1 3.92Å; W503-Y524 AromaticContact CH2-CD1 3.8Å; W503-Y524 HydrophobicContact CH2-CD1 3.8Å; W503-Y524 AromaticContact CZ2-CD1 3.73Å; W503-Y524 HydrophobicContact CZ2-CD1 3.73Å; W503-Y524 HydrophobicContact CZ2-CE1 4.42Å; W503-Y524 AromaticContact CZ3-CD1 3.9Å; W503-Y524 HydrophobicContact CZ3-CD1 3.9Å; W503-Y524 HydrophobicContact CZ3-CE1 4.33Å; W503-Y524 PolarHBondContact O-OH 2.89Å; W503-I530 HydrophobicContact CE3-CD1 4.41Å; W503-I530 HydrophobicContact CE3-CG2 3.65Å; W503-I530 HydrophobicContact CH2-CD1 4.2Å; W503-I530 HydrophobicContact CZ3-CD1 3.74Å; W503-I530 HydrophobicContact CZ3-CG2 3.79Å; W503-F639 HydrophobicContact CB-CD1 4.11Å; W503-F639 HydrophobicContact CB-CD2 3.83Å; W503-F639 HydrophobicContact CB-CE1 4Å; W503-F639 HydrophobicContact CB-CE2 3.72Å; W503-F639 HydrophobicContact CB-CG 4.03Å; W503-F639 HydrophobicContact CB-CZ 3.81Å; W503-F639 HydrophobicContact CD2-CB 4.28Å; W503-F639 HydrophobicContact CD2-CG 4.31Å; W503-F639 HydrophobicContact CE3-CB 3.57Å; W503-F639 HydrophobicContact CE3-CD1 4.08Å; W503-F639 AromaticContact CE3-CG 3.83Å; W503-F639 HydrophobicContact CE3-CG 3.83Å; W503-F639 HydrophobicContact CG-CD2 4.35Å; W503-F639 HydrophobicContact CG-CG 4.43Å; W503-F639 HydrophobicContact CZ3-CB 4Å; W503-H641 HydrophobicContact CH2-CB 3.95Å; W503-H641 HydrophobicContact CZ3-CB 4.46Å; W503-M646 HydrophobicContact CH2-CG 4.14Å; W503-M646 HydrophobicContact CZ3-CG 4.5Å
504	R	96.7	Very high	96	Very high	50 Å²	50	35.1 Å²	35.1	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.6	-175	-174.4	-175.9	69.5	-176.5	-6.4	111.4	R480 R506 T509 F511	R480-R504 HydrophobicContact CG-CB 4.13Å; R480-R504 HydrophobicContact CG-CG 4.09Å; R504-R506 VanDerWaalsContact CZ-O 3.31Å; R504-R506 PolarHBondContact NE-O 2.59Å; R504-R506 PolarHBondContact NH2-O 3.38Å; R504-R506 VanDerWaalsContact NH2-O 3.09Å; R504-R506 PolarHBondContact O-N 3.18Å; R504-R506 VanDerWaalsContact O-N 3.16Å; R504-T509 WeakPolarHBondContact CB-O 3.16Å; R504-T509 PolarHBondContact N-O 2.98Å; R504-T509 PolarHBondContact NE-OG1 2.78Å; R504-T509 PolarHBondContact NH2-OG1 2.93Å; R504-F511 HydrophobicContact CB-CD2 3.96Å; R504-F511 HydrophobicContact CB-CE2 4.32Å
505	S	96.2	Very high	95.9	Very high	8 Å²	8	42.9 Å²	42.9	6%	0.056	19%	0.19	C	C	.	.	S	Bend	trans	-59.3	-28.4	-179.3	79.2	0	0	0	0	114.3	Q473 T479 G523 Y524	Q473-S505 PolarHBondContact NE2-OG 2.87Å; T479-S505 PolarHBondContact N-OG 2.88Å; T479-S505 PolarHBondContact O-N 3.18Å; T479-S505 WeakPolarHBondContact OG1-CB 3.38Å; S505-G523 CarbonylContact O-C 3.5Å; S505-G523 VanDerWaalsContact O-C 3.29Å; S505-G523 WeakPolarHBondContact O-CA 3.28Å; S505-Y524 VanDerWaalsContact CA-CZ 3.46Å; S505-Y524 WeakPolarHBondContact CB-O 3.35Å; S505-Y524 PolarHBondContact N-OH 3.18Å; S505-Y524 PolarHBondContact O-N 3.4Å
506	R	91.6	Very high	95.8	Very high	175 Å²	175	44.9 Å²	44.9	66%	0.66	21%	0.211	S	C	*	.	S	Bend	trans	-91.7	123.9	175.9	-174.7	167.5	-177	-174.6	1.4	111	R504 G508	R504-R506 VanDerWaalsContact CZ-O 3.31Å; R504-R506 PolarHBondContact NE-O 2.59Å; R504-R506 PolarHBondContact NH2-O 3.38Å; R504-R506 VanDerWaalsContact NH2-O 3.09Å; R504-R506 PolarHBondContact O-N 3.18Å; R504-R506 VanDerWaalsContact O-N 3.16Å; R506-G508 VanDerWaalsContact C-N 3.31Å; R506-G508 PolarHBondContact O-N 3.38Å
507	L	91	Very high	95.8	Very high	109 Å²	109	45.7 Å²	45.7	57%	0.571	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	29.4	176.1	-55.9	166	0	0	0	115	T509	L507-T509 WeakPolarHBondContact O-CG2 3.23Å; L507-T509 PolarHBondContact O-N 3.2Å
508	G	93.9	Very high	95.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	5.5	166.4	0	0	0	0	0	117.8	W503 R506 V520 E522	W503-G508 VanDerWaalsContact CD1-O 3.26Å; W503-G508 VanDerWaalsContact NE1-C 3.26Å; W503-G508 PolarHBondContact NE1-O 3.08Å; R506-G508 VanDerWaalsContact C-N 3.31Å; R506-G508 PolarHBondContact O-N 3.38Å; G508-V520 WeakPolarHBondContact CA-O 3.3Å; G508-V520 PolarHBondContact O-N 3.21Å; G508-E522 VanDerWaalsContact CA-O 3.29Å; G508-E522 WeakPolarHBondContact CA-O 3.5Å
509	T	96.9	Very high	95.9	Very high	16 Å²	16	50 Å²	50	10%	0.098	24%	0.235	C	C	.	.			trans	-77.7	139.2	-170.3	49.1	0	0	0	0	113.9	R504 L507 F511 K517	R504-T509 WeakPolarHBondContact CB-O 3.16Å; R504-T509 PolarHBondContact N-O 2.98Å; R504-T509 PolarHBondContact NE-OG1 2.78Å; R504-T509 PolarHBondContact NH2-OG1 2.93Å; L507-T509 WeakPolarHBondContact O-CG2 3.23Å; L507-T509 PolarHBondContact O-N 3.2Å; T509-F511 WeakPolarHBondContact OG1-CE2 3.26Å; T509-K517 CarbonylContact C-O 3.58Å; T509-K517 WeakPolarHBondContact CA-O 3.22Å; T509-K517 WeakPolarHBondContact CB-O 3.18Å; T509-K517 WeakPolarHBondContact CG2-O 3.45Å
510	A	97.7	Very high	95.8	Very high	2 Å²	2	51 Å²	51	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	139.1	167.7	0	0	0	0	0	111.1	S502 G516 K517 Y519 A649 F650	S502-A510 CarbonylContact O-C 3.55Å; S502-A510 WeakPolarHBondContact O-CA 3.41Å; A510-G516 CarbonylContact O-C 3.55Å; A510-G516 WeakPolarHBondContact O-CA 3.38Å; A510-K517 PolarHBondContact N-O 3.07Å; A510-K517 PolarHBondContact O-N 3.13Å; A510-Y519 HydrophobicContact CB-CG 4.31Å; A510-A649 HydrophobicContact CB-CB 4.17Å; A510-F650 HydrophobicContact CB-CE1 4.26Å; A510-F650 HydrophobicContact CB-CE2 4.15Å; A510-F650 HydrophobicContact CB-CZ 3.73Å
511	F	97.6	Very high	95.5	Very high	18 Å²	18	57.5 Å²	57.5	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.2	-174.7	-97.9	-92.5	0	0	0	113.5	R480 G495 S502 R504 T509 S514 F650	R480-F511 VanDerWaalsContact NH1-CD1 3.34Å; G495-F511 WeakPolarHBondContact CA-O 3.31Å; S502-F511 PolarHBondContact N-O 3.06Å; S502-F511 PolarHBondContact O-N 2.97Å; R504-F511 HydrophobicContact CB-CD2 3.96Å; R504-F511 HydrophobicContact CB-CE2 4.32Å; T509-F511 WeakPolarHBondContact OG1-CE2 3.26Å; F511-S514 WeakPolarHBondContact CE1-O 3.16Å; F511-F650 WeakPolarHBondContact O-CZ 3.46Å
512	H	97.5	Very high	95.1	Very high	29 Å²	29	64.1 Å²	64.1	13%	0.134	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	146.5	174	175.4	64.4	0	0	0	108.7	G495 K498 S500 Y501 S514 R515 F650 Y654	G495-H512 CarbonylContact O-C 3.25Å; K498-H512 PolarHBondContact O-CE1 3.32Å; S500-H512 PolarHBondContact O-ND1 3.03Å; Y501-H512 HydrophobicContact CD1-CB 3.97Å; Y501-H512 AromaticContact CD1-CE1 3.96Å; Y501-H512 AromaticContact CD1-CG 3.69Å; Y501-H512 AromaticContact CD1-ND1 3.46Å; Y501-H512 WeakPolarHBondContact CD1-ND1 3.38Å; Y501-H512 HydrophobicContact CE1-CB 4.3Å; Y501-H512 AromaticContact CE1-CD2 3.76Å; Y501-H512 AromaticContact CE1-CE1 3.25Å; Y501-H512 WeakPolarHBondContact CE1-CE1 3.39Å; Y501-H512 AromaticContact CE1-CG 3.57Å; Y501-H512 AromaticContact CE1-ND1 3.26Å; Y501-H512 VanDerWaalsContact CE1-ND1 3.26Å; Y501-H512 WeakPolarHBondContact CE1-ND1 3.43Å; Y501-H512 AromaticContact CE1-NE2 3.59Å; Y501-H512 AromaticContact CE2-CE1 3.89Å; Y501-H512 AromaticContact CG-ND1 3.97Å; Y501-H512 AromaticContact CZ-CE1 3.21Å; Y501-H512 AromaticContact CZ-ND1 3.57Å; Y501-H512 AromaticContact CZ-NE2 3.8Å; Y501-H512 PolarHBondContact OH-CE1 3.06Å; H512-S514 PolarHBondContact O-N 2.84Å; H512-S514 VanDerWaalsContact O-N 3.12Å; H512-R515 PolarHBondContact N-O 2.8Å; H512-R515 WeakPolarHBondContact O-CA 3.37Å; H512-R515 WeakPolarHBondContact O-CB 3.45Å; H512-R515 PolarHBondContact O-N 3.37Å; H512-F650 HydrophobicContact CB-CD1 4.43Å; H512-F650 HydrophobicContact CB-CE1 3.66Å; H512-F650 HydrophobicContact CB-CZ 4.19Å; H512-Y654 AromaticContact CE1-CE2 3.96Å; H512-Y654 AromaticContact NE2-CE2 3.78Å
513	E	95.6	Very high	94.8	Very high	56 Å²	56	65.1 Å²	65.1	26%	0.262	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	33.3	-174.6	-60.8	-174	-54.2	0	0	114.5	Y496 D497 K498 R515	Y496-E513 CarbonylContact O-C 3.6Å; Y496-E513 VanDerWaalsContact O-C 3.25Å; Y496-E513 WeakPolarHBondContact O-CA 3.08Å; D497-E513 PolarHBondContact O-N 3.26Å; D497-E513 VanDerWaalsContact O-N 3.09Å; K498-E513 WeakPolarHBondContact CE-OE2 3.44Å; K498-E513 HydrophobicContact CG-CG 3.71Å; K498-E513 WeakPolarHBondContact CG-OE2 3.26Å; E513-R515 PolarHBondContact O-N 2.88Å; E513-R515 IonicContact OE1-CZ 3.69Å; E513-R515 IonicContact OE1-NH1 3.76Å; E513-R515 PolarHBondContact OE1-NH1 3.03Å
514	S	94.4	Very high	94.7	Very high	57 Å²	57	65.2 Å²	65.2	40%	0.399	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	3.6	-170.4	-62.4	0	0	0	0	115.6	G495 Y496 F511 H512	G495-S514 WeakPolarHBondContact O-CA 3.49Å; G495-S514 PolarHBondContact O-N 2.98Å; Y496-S514 WeakPolarHBondContact CA-OG 3.12Å; Y496-S514 WeakPolarHBondContact CD2-OG 3.33Å; Y496-S514 PolarHBondContact O-N 3.04Å; Y496-S514 PolarHBondContact O-OG 3.02Å; F511-S514 WeakPolarHBondContact CE1-O 3.16Å; H512-S514 PolarHBondContact O-N 2.84Å; H512-S514 VanDerWaalsContact O-N 3.12Å
515	R	95.7	Very high	94.6	Very high	164 Å²	164	68.1 Å²	68.1	62%	0.619	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.3	178.3	-66.5	161.9	171.2	166.5	-7.3	109.6	H512 E513	H512-R515 PolarHBondContact N-O 2.8Å; H512-R515 WeakPolarHBondContact O-CA 3.37Å; H512-R515 WeakPolarHBondContact O-CB 3.45Å; H512-R515 PolarHBondContact O-N 3.37Å; E513-R515 PolarHBondContact O-N 2.88Å; E513-R515 IonicContact OE1-CZ 3.69Å; E513-R515 IonicContact OE1-NH1 3.76Å; E513-R515 PolarHBondContact OE1-NH1 3.03Å
516	G	94.9	Very high	94.6	Very high	42 Å²	42	72.5 Å²	72.5	43%	0.433	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.3	171.1	0	0	0	0	0	111.1	A510	A510-G516 CarbonylContact O-C 3.55Å; A510-G516 WeakPolarHBondContact O-CA 3.38Å
517	K	95.4	Very high	94.8	Very high	140 Å²	140	68.8 Å²	68.8	61%	0.609	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	147	169.5	-64.5	-178.7	-178.4	177.9	0	109.8	T509 A510	T509-K517 CarbonylContact C-O 3.58Å; T509-K517 WeakPolarHBondContact CA-O 3.22Å; T509-K517 WeakPolarHBondContact CB-O 3.18Å; T509-K517 WeakPolarHBondContact CG2-O 3.45Å; A510-K517 PolarHBondContact N-O 3.07Å; A510-K517 PolarHBondContact O-N 3.13Å
518	H	95.9	Very high	95.2	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.606	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-61.1	143.5	164.1	-164.5	-97.8	0	0	0	109.3	D521	H518-D521 IonicContact CE1-OD1 3.83Å; H518-D521 PolarHBondContact CE1-OD1 3.11Å; H518-D521 VanDerWaalsContact CE1-OD1 3.28Å; H518-D521 IonicContact NE2-OD1 2.7Å
519	Y	95.7	Very high	95.3	Very high	40 Å²	40	64.5 Å²	64.5	16%	0.157	32%	0.321	C	S	.	.			trans	-146.4	-52.2	-176.9	170.2	-122.6	0	0	0	110.1	W503 A510 F639 M646 G647 A649	W503-Y519 AromaticContact CD1-CD1 3.8Å; W503-Y519 HydrophobicContact CD2-CE1 4.26Å; W503-Y519 HydrophobicContact CG-CD1 4.35Å; W503-Y519 HydrophobicContact CG-CE1 4.35Å; W503-Y519 AromaticContact NE1-CD1 3.7Å; A510-Y519 HydrophobicContact CB-CG 4.31Å; Y519-F639 HydrophobicContact CE1-CB 4.2Å; Y519-F639 HydrophobicContact CE1-CD2 4.03Å; Y519-F639 PolarHBondContact OH-N 2.94Å; Y519-M646 HydrophobicContact CE1-CB 3.95Å; Y519-M646 WeakPolarHBondContact CE2-O 3.48Å; Y519-M646 VanDerWaalsContact OH-CB 3.32Å; Y519-M646 WeakPolarHBondContact OH-CB 3.4Å; Y519-M646 PolarHBondContact OH-O 3.36Å; Y519-G647 PolarHBondContact OH-O 3.4Å; Y519-A649 HydrophobicContact CD1-CB 4.44Å; Y519-A649 HydrophobicContact CD2-CB 4.02Å; Y519-A649 HydrophobicContact CE1-CB 4.08Å; Y519-A649 HydrophobicContact CE2-CB 3.63Å; Y519-A649 HydrophobicContact CG-CB 4.4Å
520	V	94.4	Very high	95.4	Very high	27 Å²	27	63.8 Å²	63.8	16%	0.164	32%	0.317	C	S	.	.			trans	-136.6	154	165.3	-65.1	0	0	0	0	110.4	W503 G508 E522 M646	W503-V520 HydrophobicContact CZ2-CG2 3.58Å; G508-V520 WeakPolarHBondContact CA-O 3.3Å; G508-V520 PolarHBondContact O-N 3.21Å; V520-E522 WeakPolarHBondContact CG2-O 3.5Å; V520-M646 HydrophobicContact CG1-CB 4.12Å; V520-M646 HydrophobicContact CG1-CG 4.39Å; V520-M646 HydrophobicContact CG1-SD 3.82Å
521	D	90.1	Very high	95.4	Very high	135 Å²	135	63.7 Å²	63.7	72%	0.722	32%	0.316	S	S	*	.	S	Bend	trans	-69.5	-39	-170.2	-44.8	-74.2	0	0	0	112.7	H518	H518-D521 IonicContact CE1-OD1 3.83Å; H518-D521 PolarHBondContact CE1-OD1 3.11Å; H518-D521 VanDerWaalsContact CE1-OD1 3.28Å; H518-D521 IonicContact NE2-OD1 2.7Å
522	E	89.7	Confident	95.4	Very high	147 Å²	147	62.9 Å²	62.9	69%	0.687	31%	0.313	S	S	*	.	S	Bend	trans	-101	146.8	178.2	-71.9	-164.1	-173.7	0	0	113	G508 V520	G508-E522 VanDerWaalsContact CA-O 3.29Å; G508-E522 WeakPolarHBondContact CA-O 3.5Å; V520-E522 WeakPolarHBondContact CG2-O 3.5Å
523	G	91.6	Very high	95.5	Very high	21 Å²	21	61.6 Å²	61.6	22%	0.216	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-92	149.6	171.4	0	0	0	0	0	112.5	S505	S505-G523 CarbonylContact O-C 3.5Å; S505-G523 VanDerWaalsContact O-C 3.29Å; S505-G523 WeakPolarHBondContact O-CA 3.28Å
524	Y	95.9	Very high	95.6	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.008	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-77.9	145	177.3	60.3	-98.3	0	0	0	112.9	I470 T479 I481 W503 S505 D528 I530	I470-Y524 HydrophobicContact CD1-CD2 4.01Å; I470-Y524 HydrophobicContact CD1-CE2 3.71Å; I470-Y524 HydrophobicContact CG1-CD2 3.82Å; I470-Y524 HydrophobicContact CG1-CE2 4.06Å; T479-Y524 WeakPolarHBondContact OG1-CE2 3.19Å; I481-Y524 HydrophobicContact CD1-CE2 4.15Å; W503-Y524 HydrophobicContact CB-CE1 4.42Å; W503-Y524 AromaticContact CD2-CD1 3.79Å; W503-Y524 HydrophobicContact CD2-CD1 3.79Å; W503-Y524 AromaticContact CD2-CE1 3.63Å; W503-Y524 HydrophobicContact CD2-CE1 3.63Å; W503-Y524 AromaticContact CE2-CD1 3.74Å; W503-Y524 AromaticContact CE2-CE1 3.98Å; W503-Y524 AromaticContact CE3-CD1 3.87Å; W503-Y524 HydrophobicContact CE3-CD1 3.87Å; W503-Y524 AromaticContact CE3-CE1 3.84Å; W503-Y524 HydrophobicContact CE3-CE1 3.84Å; W503-Y524 HydrophobicContact CG-CD1 4.48Å; W503-Y524 AromaticContact CG-CE1 3.92Å; W503-Y524 HydrophobicContact CG-CE1 3.92Å; W503-Y524 AromaticContact CH2-CD1 3.8Å; W503-Y524 HydrophobicContact CH2-CD1 3.8Å; W503-Y524 AromaticContact CZ2-CD1 3.73Å; W503-Y524 HydrophobicContact CZ2-CD1 3.73Å; W503-Y524 HydrophobicContact CZ2-CE1 4.42Å; W503-Y524 AromaticContact CZ3-CD1 3.9Å; W503-Y524 HydrophobicContact CZ3-CD1 3.9Å; W503-Y524 HydrophobicContact CZ3-CE1 4.33Å; W503-Y524 PolarHBondContact O-OH 2.89Å; S505-Y524 VanDerWaalsContact CA-CZ 3.46Å; S505-Y524 WeakPolarHBondContact CB-O 3.35Å; S505-Y524 PolarHBondContact N-OH 3.18Å; S505-Y524 PolarHBondContact O-N 3.4Å; Y524-D528 WeakPolarHBondContact CA-OD2 3.34Å; Y524-I530 VanDerWaalsContact CB-CD1 3.48Å; Y524-I530 HydrophobicContact CD1-CD1 3.63Å; Y524-I530 HydrophobicContact CD1-CG1 4.18Å; Y524-I530 HydrophobicContact CD2-CD1 3.72Å; Y524-I530 HydrophobicContact CD2-CG1 3.8Å; Y524-I530 HydrophobicContact CE1-CD1 4.27Å; Y524-I530 HydrophobicContact CE1-CG1 4.36Å; Y524-I530 HydrophobicContact CE2-CD1 4.33Å; Y524-I530 HydrophobicContact CE2-CG1 3.98Å; Y524-I530 HydrophobicContact CG-CD1 3.33Å; Y524-I530 HydrophobicContact CG-CG1 3.91Å
525	K	95.4	Very high	95.7	Very high	111 Å²	111	58.8 Å²	58.8	48%	0.483	29%	0.287	S	S	.	.			trans	-121	-172.5	-169.5	57	-176.4	168.5	-62.9	0	112.3	I470 D528	I470-K525 WeakPolarHBondContact CB-O 3.35Å; I470-K525 WeakPolarHBondContact CG1-O 3.38Å; K525-D528 WeakPolarHBondContact CG-OD2 3.22Å; K525-D528 PolarHBondContact N-OD2 3.14Å; K525-D528 IonicContact NZ-OD2 3.41Å; K525-D528 WeakPolarHBondContact O-CB 3.48Å; K525-D528 PolarHBondContact O-N 3.03Å
526	K	96.1	Very high	95.6	Very high	100 Å²	100	51 Å²	51	44%	0.435	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	144.9	170.1	-166.1	-165.2	170.2	-96.6	0	110.9	I470 T471 Q473 D528	I470-K526 WeakPolarHBondContact O-CA 3.28Å; T471-K526 WeakPolarHBondContact O-CE 3.41Å; Q473-K526 HydrophobicContact CB-CB 4.34Å; K526-D528 PolarHBondContact O-N 2.68Å; K526-D528 VanDerWaalsContact O-N 3.13Å
527	D	96.7	Very high	95.5	Very high	97 Å²	97	50.7 Å²	50.7	52%	0.519	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-3.2	178.8	-49.9	-56.6	0	0	0	115.7	I470	I470-D527 PolarHBondContact O-N 2.86Å
528	D	97.7	Very high	94.8	Very high	14 Å²	14	47.4 Å²	47.4	8%	0.075	24%	0.243	C	C	.	.			trans	-70.8	149.5	166.9	-75.8	-35.8	0	0	0	112	I470 Y524 K525 K526 I530 H641 N642	I470-D528 PolarHBondContact N-O 3.21Å; Y524-D528 WeakPolarHBondContact CA-OD2 3.34Å; K525-D528 WeakPolarHBondContact CG-OD2 3.22Å; K525-D528 PolarHBondContact N-OD2 3.14Å; K525-D528 IonicContact NZ-OD2 3.41Å; K525-D528 WeakPolarHBondContact O-CB 3.48Å; K525-D528 PolarHBondContact O-N 3.03Å; K526-D528 PolarHBondContact O-N 2.68Å; K526-D528 VanDerWaalsContact O-N 3.13Å; D528-I530 HydrophobicContact CB-CD1 4.49Å; D528-H641 IonicContact OD1-NE2 3.2Å; D528-H641 PolarHBondContact OD1-NE2 3.5Å; D528-H641 IonicContact OD2-CD2 2.67Å; D528-H641 IonicContact OD2-CE1 2.7Å; D528-H641 IonicContact OD2-NE2 3.66Å; D528-H641 PolarHBondContact OD2-NE2 3.2Å; D528-N642 PolarHBondContact OD1-ND2 3.34Å
529	I	97.7	Very high	93.2	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.4	175.6	-55.5	-168.7	0	0	0	109.9	E467 T469 N642 K679 Y680	E467-I529 HydrophobicContact CB-CG2 3.96Å; E467-I529 HydrophobicContact CG-CG2 4.02Å; T469-I529 HydrophobicContact CG2-CD1 4.47Å; T469-I529 HydrophobicContact CG2-CG1 4.05Å; I529-N642 PolarHBondContact N-OD1 2.88Å; I529-N642 PolarHBondContact O-N 3.29Å; I529-K679 HydrophobicContact CD1-CB 4.03Å; I529-K679 HydrophobicContact CD1-CD 3.49Å; I529-K679 VanDerWaalsContact CD1-CD 3.49Å; I529-K679 HydrophobicContact CD1-CG 4.08Å; I529-Y680 HydrophobicContact CB-CD2 4.02Å; I529-Y680 HydrophobicContact CB-CE2 4.16Å; I529-Y680 HydrophobicContact CD1-CD2 4.18Å; I529-Y680 HydrophobicContact CD1-CE2 3.98Å; I529-Y680 HydrophobicContact CG1-CE2 4.27Å; I529-Y680 HydrophobicContact CG2-CD2 4.24Å
530	I	98	Very high	91.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	103.3	-175.7	-50.5	-53.9	0	0	0	109.3	E467 A468 I481 W503 Y524 D528 F639 Y640	E467-I530 CarbonylContact C-O 3.57Å; E467-I530 WeakPolarHBondContact CA-O 3.5Å; A468-I530 PolarHBondContact N-O 2.95Å; A468-I530 PolarHBondContact O-N 2.98Å; I481-I530 HydrophobicContact CD1-CB 4.4Å; I481-I530 HydrophobicContact CD1-CG1 4.3Å; W503-I530 HydrophobicContact CE3-CD1 4.41Å; W503-I530 HydrophobicContact CE3-CG2 3.65Å; W503-I530 HydrophobicContact CH2-CD1 4.2Å; W503-I530 HydrophobicContact CZ3-CD1 3.74Å; W503-I530 HydrophobicContact CZ3-CG2 3.79Å; Y524-I530 VanDerWaalsContact CB-CD1 3.48Å; Y524-I530 HydrophobicContact CD1-CD1 3.63Å; Y524-I530 HydrophobicContact CD1-CG1 4.18Å; Y524-I530 HydrophobicContact CD2-CD1 3.72Å; Y524-I530 HydrophobicContact CD2-CG1 3.8Å; Y524-I530 HydrophobicContact CE1-CD1 4.27Å; Y524-I530 HydrophobicContact CE1-CG1 4.36Å; Y524-I530 HydrophobicContact CE2-CD1 4.33Å; Y524-I530 HydrophobicContact CE2-CG1 3.98Å; Y524-I530 HydrophobicContact CG-CD1 3.33Å; Y524-I530 HydrophobicContact CG-CG1 3.91Å; D528-I530 HydrophobicContact CB-CD1 4.49Å; I530-F639 HydrophobicContact CG2-CD1 4.35Å; I530-Y640 WeakPolarHBondContact CA-O 3.18Å
531	G	97.9	Very high	88.6	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.1	170.4	0	0	0	0	0	110.4	Y465 F639 Y640	Y465-G531 VanDerWaalsContact CE2-CA 3.44Å; Y465-G531 VanDerWaalsContact OH-CA 3.24Å; Y465-G531 WeakPolarHBondContact OH-CA 3.23Å; G531-F639 CarbonylContact O-C 3.56Å; G531-F639 WeakPolarHBondContact O-CA 3.3Å; G531-Y640 PolarHBondContact N-O 3.31Å; G531-Y640 PolarHBondContact O-N 3.06Å
532	C	98.1	Very high	86	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	102	-174.4	-64.8	0	0	0	0	109.3	Y465 F466 I481 F639	Y465-C532 WeakPolarHBondContact CA-O 3.48Å; F466-C532 HydrophobicContact CD1-CB 3.78Å; F466-C532 HydrophobicContact CD2-CB 4.31Å; F466-C532 HydrophobicContact CE1-CB 3.34Å; F466-C532 HydrophobicContact CE2-CB 3.92Å; F466-C532 HydrophobicContact CG-CB 4.25Å; F466-C532 HydrophobicContact CZ-CB 3.42Å; F466-C532 VanDerWaalsContact CZ-CB 3.42Å; F466-C532 PolarHBondContact N-O 2.86Å; F466-C532 PolarHBondContact O-N 3.27Å; I481-C532 VanDerWaalsContact CG2-SG 3.57Å; C532-F639 HydrophobicContact CB-CD1 4.43Å; C532-F639 HydrophobicContact CB-CE1 4.38Å
533	M	98.1	Very high	83.4	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.4	176.1	-169.7	-175.4	-75.2	0	0	111	T463 W464 Y465 I637 T638 Y640 P682 I685 W688	T463-M533 HydrophobicContact CG2-CG 3.8Å; T463-M533 HydrophobicContact CG2-SD 3.65Å; W464-M533 VanDerWaalsContact O-CA 3.3Å; W464-M533 WeakPolarHBondContact O-CA 3.3Å; Y465-M533 HydrophobicContact CD2-CB 4.1Å; M533-I637 WeakPolarHBondContact O-CA 3.36Å; M533-T638 PolarHBondContact N-O 2.88Å; M533-T638 PolarHBondContact O-N 3.45Å; M533-Y640 HydrophobicContact CB-CE2 3.92Å; M533-Y640 HydrophobicContact CE-CE2 4.08Å; M533-Y640 VanDerWaalsContact CE-OH 3.31Å; M533-Y640 WeakPolarHBondContact CE-OH 3.42Å; M533-P682 HydrophobicContact CE-CB 3.74Å; M533-P682 HydrophobicContact CE-CG 3.72Å; M533-I685 HydrophobicContact CE-CB 4.4Å; M533-I685 HydrophobicContact CE-CD1 4.21Å; M533-I685 HydrophobicContact SD-CD1 3.7Å; M533-W688 HydrophobicContact CE-CB 4.35Å; M533-W688 HydrophobicContact CE-CG 4.17Å
534	I	98	Very high	80.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.6	165.9	-165.9	168.7	0	0	0	109.4	V459 T463 W464 W483 L536 K636 I637 I653 Y658	V459-I534 HydrophobicContact CG2-CG2 3.82Å; T463-I534 CarbonylContact C-O 3.49Å; T463-I534 VanDerWaalsContact CA-O 3.3Å; T463-I534 WeakPolarHBondContact CA-O 3.37Å; T463-I534 WeakPolarHBondContact CG2-O 3.47Å; W464-I534 HydrophobicContact CB-CG2 4.03Å; W464-I534 PolarHBondContact N-O 2.67Å; W464-I534 PolarHBondContact O-N 3.28Å; W483-I534 HydrophobicContact CB-CD1 4.36Å; W483-I534 HydrophobicContact CD2-CB 4.03Å; W483-I534 HydrophobicContact CD2-CD1 4Å; W483-I534 HydrophobicContact CD2-CG2 4.04Å; W483-I534 HydrophobicContact CE3-CD1 4.26Å; W483-I534 HydrophobicContact CE3-CG2 4.12Å; W483-I534 HydrophobicContact CG-CB 4.44Å; W483-I534 HydrophobicContact CG-CD1 4.04Å; W483-I534 HydrophobicContact CH2-CB 4.34Å; W483-I534 HydrophobicContact CH2-CG2 3.45Å; W483-I534 VanDerWaalsContact CH2-CG2 3.45Å; W483-I534 HydrophobicContact CZ2-CB 3.78Å; W483-I534 HydrophobicContact CZ2-CG2 3.35Å; W483-I534 HydrophobicContact CZ3-CG2 3.84Å; I534-L536 HydrophobicContact CD1-CD1 4.27Å; I534-L536 HydrophobicContact CD1-CD2 4.01Å; I534-L536 HydrophobicContact CD1-CG 4.15Å; I534-L536 HydrophobicContact CG1-CD2 4.13Å; I534-L536 HydrophobicContact CG1-CG 4.09Å; I534-K636 WeakPolarHBondContact CA-O 3.45Å; I534-I637 HydrophobicContact CB-CG1 4.34Å; I534-I637 HydrophobicContact CD1-CD1 4.42Å; I534-I637 HydrophobicContact CD1-CG1 4.21Å; I534-I637 HydrophobicContact CG1-CG1 3.86Å; I534-I653 HydrophobicContact CD1-CD1 3.81Å; I534-I653 HydrophobicContact CG1-CD1 4.13Å; I534-Y658 HydrophobicContact CD1-CD1 4.39Å; I534-Y658 HydrophobicContact CD1-CD2 3.92Å; I534-Y658 HydrophobicContact CD1-CG 3.78Å
535	H	97	Very high	77.1	Confident	55 Å²	55	48.7 Å²	48.7	26%	0.255	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.8	170.2	176.9	77.8	0	0	0	109.4	T463 S635 K636	T463-H535 HydrophobicContact CG2-CB 4.23Å; T463-H535 PolarHBondContact OG1-ND1 3.27Å; H535-S635 VanDerWaalsContact O-CA 3.23Å; H535-S635 WeakPolarHBondContact O-CA 3.18Å; H535-S635 WeakPolarHBondContact O-CB 3.18Å; H535-K636 HydrophobicContact CB-CG 3.78Å; H535-K636 PolarHBondContact N-O 3.39Å; H535-K636 PolarHBondContact O-N 2.61Å
536	L	94.1	Very high	74.2	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	103.2	-177.9	-63.6	176.7	0	0	0	109.4	V459 S461 G462 I534 S538 L632 I653 Y658	V459-L536 HydrophobicContact CG2-CD1 4.02Å; V459-L536 WeakPolarHBondContact O-CD1 3.44Å; S461-L536 CarbonylContact C-O 3.57Å; S461-L536 WeakPolarHBondContact CA-O 3.5Å; G462-L536 PolarHBondContact N-O 2.8Å; G462-L536 PolarHBondContact O-N 2.6Å; I534-L536 HydrophobicContact CD1-CD1 4.27Å; I534-L536 HydrophobicContact CD1-CD2 4.01Å; I534-L536 HydrophobicContact CD1-CG 4.15Å; I534-L536 HydrophobicContact CG1-CD2 4.13Å; I534-L536 HydrophobicContact CG1-CG 4.09Å; L536-S538 PolarHBondContact O-N 2.89Å; L536-L632 HydrophobicContact CB-CD2 4.42Å; L536-L632 HydrophobicContact CD2-CD2 4.11Å; L536-I653 HydrophobicContact CD2-CD1 3.96Å; L536-Y658 HydrophobicContact CD1-CD2 4.19Å; L536-Y658 HydrophobicContact CD2-CD2 4.14Å; L536-Y658 HydrophobicContact CD2-CE2 4.26Å
537	P	91.8	Very high	71.2	Confident	34 Å²	34	52.3 Å²	52.3	22%	0.221	30%	0.301	C	S	.	.			trans	-59.9	131.7	177.4	-28.1	36.6	0	0	0	113	T539	P537-T539 PolarHBondContact O-N 2.96Å; P537-T539 VanDerWaalsContact O-N 3.14Å
538	S	80.4	Confident	68.3	Low	72 Å²	72	52.8 Å²	52.8	50%	0.503	30%	0.304	S	S	.	.			trans	-62.8	111.6	174	-64	0	0	0	0	110.6	L536 T540	L536-S538 PolarHBondContact O-N 2.89Å; S538-T540 PolarHBondContact O-N 3.35Å
539	T	62.8	Low	65.2	Low	46 Å²	46	57.4 Å²	57.4	28%	0.282	33%	0.325	S	S	.	.			trans	-83.5	109.3	-179.5	-58.2	0	0	0	0	110.2	P537 G541 F543 Y597 L632	P537-T539 PolarHBondContact O-N 2.96Å; P537-T539 VanDerWaalsContact O-N 3.14Å; T539-G541 PolarHBondContact O-N 3.11Å; T539-F543 HydrophobicContact CG2-CE1 3.92Å; T539-F543 HydrophobicContact CG2-CZ 4.07Å; T539-Y597 PolarHBondContact O-OH 2.96Å; T539-Y597 VanDerWaalsContact O-OH 3.14Å; T539-L632 VanDerWaalsContact OG1-CD1 3.31Å; T539-L632 WeakPolarHBondContact OG1-CD1 3.42Å
540	T	51.3	Low	62.1	Low	142 Å²	142	61.2 Å²	61.2	87%	0.871	35%	0.351	S	S	*	.	S	Bend	trans	-73.8	20.1	-174.2	39.2	0	0	0	0	115.5	S538	S538-T540 PolarHBondContact O-N 3.35Å
541	G	41.9	Very low	59	Low	30 Å²	30	64.8 Å²	64.8	31%	0.309	38%	0.381	S	S	.	.	S	Bend	trans	-152.4	162.7	177.2	0	0	0	0	0	112.5	T539 N596	T539-G541 PolarHBondContact O-N 3.11Å; G541-N596 PolarHBondContact O-ND2 3.02Å
542	P	35.2	Very low	55.8	Low	87 Å²	87	73.8 Å²	73.8	57%	0.565	42%	0.422	S	S	*	.			trans	-59.8	144.8	172.7	-19.8	32.3	0	0	0	111.2	T544	P542-T544 VanDerWaalsContact C-N 3.34Å; P542-T544 PolarHBondContact O-N 3.44Å
543	F	36.4	Very low	52.7	Low	93 Å²	93	78.4 Å²	78.4	41%	0.408	46%	0.455	S	S	.	.			trans	-71.8	91.7	170.3	-74.9	-62.2	0	0	0	110	T539 S545 N596 H630 A655	T539-F543 HydrophobicContact CG2-CE1 3.92Å; T539-F543 HydrophobicContact CG2-CZ 4.07Å; F543-S545 PolarHBondContact O-N 3.46Å; F543-N596 VanDerWaalsContact CD2-ND2 3.29Å; F543-N596 WeakPolarHBondContact CD2-ND2 3.25Å; F543-N596 PolarHBondContact N-ND2 3.3Å; F543-N596 PolarHBondContact N-OD1 2.94Å; F543-H630 AromaticContact CD1-CE1 3.82Å; F543-H630 AromaticContact CD1-NE2 3.09Å; F543-H630 WeakPolarHBondContact CD1-NE2 3.4Å; F543-H630 AromaticContact CE1-NE2 3.25Å; F543-H630 VanDerWaalsContact CE1-NE2 3.25Å; F543-H630 WeakPolarHBondContact CE1-NE2 3.45Å; F543-H630 AromaticContact CG-NE2 3.76Å; F543-A655 HydrophobicContact CE1-CB 4.15Å; F543-A655 HydrophobicContact CE2-CB 4.4Å; F543-A655 HydrophobicContact CZ-CB 3.86Å
544	T	27.9	Very low	49.6	Very low	83 Å²	83	82.7 Å²	82.7	51%	0.509	49%	0.485	S	S	.	.			trans	-69.9	121	172.3	51.3	0	0	0	0	109.5	P542 Q549	P542-T544 VanDerWaalsContact C-N 3.34Å; P542-T544 PolarHBondContact O-N 3.44Å; T544-Q549 PolarHBondContact OG1-NE2 3.12Å; T544-Q549 VanDerWaalsContact OG1-NE2 3.09Å
545	S	27	Very low	46.3	Very low	48 Å²	48	86.2 Å²	86.2	34%	0.336	52%	0.521	S	S	.	.			trans	-62.1	144.8	166.2	51.6	0	0	0	0	109.3	F543 E547 N548	F543-S545 PolarHBondContact O-N 3.46Å; S545-E547 PolarHBondContact O-N 3.44Å; S545-E547 VanDerWaalsContact O-N 3.08Å; S545-N548 PolarHBondContact O-N 3.48Å
546	L	33.5	Very low	43.1	Very low	128 Å²	128	90.4 Å²	90.4	67%	0.67	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-59.5	-25.7	-177.5	-163.3	68.1	0	0	0	112.3	N548 Q549	L546-N548 PolarHBondContact O-N 2.87Å; L546-Q549 PolarHBondContact O-N 2.9Å
547	E	34	Very low	40.1	Very low	160 Å²	160	99.1 Å²	99.1	75%	0.748	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-57.4	-29	173.7	-62.1	178.5	135.9	0	0	113.2	S545	S545-E547 PolarHBondContact O-N 3.44Å; S545-E547 VanDerWaalsContact O-N 3.08Å
548	N	34.9	Very low	37.3	Very low	106 Å²	106	106.4 Å²	106.4	57%	0.567	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-81.6	-15.9	176	-71.6	-9.7	0	0	0	113.3	S545 L546	S545-N548 PolarHBondContact O-N 3.48Å; L546-N548 PolarHBondContact O-N 2.87Å
549	Q	34	Very low	34.7	Very low	111 Å²	111	109.6 Å²	109.6	52%	0.519	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.8	-13.8	-178.4	-60.9	-174.7	9	0	0	113.1	T544 L546 S553	T544-Q549 PolarHBondContact OG1-NE2 3.12Å; T544-Q549 VanDerWaalsContact OG1-NE2 3.09Å; L546-Q549 PolarHBondContact O-N 2.9Å; Q549-S553 PolarHBondContact O-OG 2.92Å
550	C	31	Very low	33.2	Very low	87 Å²	87	112.8 Å²	112.8	59%	0.588	65%	0.649	S	S	*	*	S	Bend	trans	-91.4	-7.9	176.8	-62.5	0	0	0	0	114.3
551	A	32.7	Very low	32.1	Very low	75 Å²	75	114.9 Å²	114.9	62%	0.62	65%	0.649	S	S	*	*	S	Bend	trans	-87.2	-28.4	-173.7	0	0	0	0	0	114.5
552	E	32.1	Very low	31.6	Very low	189 Å²	189	117.6 Å²	117.6	88%	0.883	67%	0.669	S	S	*	*	S	Bend	trans	-98.6	-6.6	-174.5	-60	-169.7	143.2	0	0	113.8
553	S	32.8	Very low	31.5	Very low	97 Å²	97	120.6 Å²	120.6	68%	0.678	68%	0.68	S	S	*	*	S	Bend	trans	-101.7	0.5	-172.1	47.7	0	0	0	0	114.9	Q549	Q549-S553 PolarHBondContact O-OG 2.92Å
554	S	33.9	Very low	31.2	Very low	93 Å²	93	119.7 Å²	119.7	65%	0.65	69%	0.685	S	S	*	*			trans	-123.3	93	176.1	50.6	0	0	0	0	112
555	G	28.3	Very low	31.4	Very low	73 Å²	73	124.6 Å²	124.6	75%	0.753	70%	0.7	S	S	*	*			trans	-68.7	165.7	167.9	0	0	0	0	0	112.3
556	L	29.4	Very low	31.6	Very low	144 Å²	144	127.2 Å²	127.2	75%	0.754	72%	0.718	S	S	*	*			trans	76.9	93.5	176	-158.1	77.9	0	0	0	115.6
557	F	31.1	Very low	31.5	Very low	183 Å²	183	126.1 Å²	126.1	80%	0.803	72%	0.721	S	S	*	*				-175.1	145.7	110.7	-101.6	-72.7	0	0	0	114
558	K	32.1	Very low	31.6	Very low	187 Å²	187	125.4 Å²	125.4	81%	0.813	73%	0.727	S	S	*	*			trans	-70.3	155.2	-161.7	-60.2	158.1	177.9	176.5	0	116.6
559	T	26.6	Very low	31.5	Very low	139 Å²	139	125.4 Å²	125.4	85%	0.853	74%	0.742	S	S	*	*			trans	-105.8	155.4	168.7	42.7	0	0	0	0	114.4
560	P	31.3	Very low	31.5	Very low	113 Å²	113	123.1 Å²	123.1	73%	0.734	75%	0.749	S	S	*	*			trans	-143.5	178.7	139.5	38	-22.7	0	0	0	113
561	Q	27.7	Very low	31.7	Very low	186 Å²	186	125.9 Å²	125.9	87%	0.869	76%	0.757	S	S	*	*			cis	-167.5	164.9	-37.2	-101.1	-179	-4.3	0	0	108.3
562	A	32.6	Very low	32.1	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	76%	0.762	S	S	*	*			trans	67.1	158.9	165.8	0	0	0	0	0	117.6
563	N	32.4	Very low	32.2	Very low	149 Å²	149	128.6 Å²	128.6	80%	0.797	76%	0.757	S	S	*	*			cis	-171.4	172.7	-18.2	-101.7	-1	0	0	0	108
564	S	31.1	Very low	32.3	Very low	74 Å²	74	128.9 Å²	128.9	52%	0.517	76%	0.759	S	S	.	*			cis	-171.4	174.4	-32.9	59.1	0	0	0	0	109.4
565	F	31.7	Very low	32.3	Very low	187 Å²	187	131 Å²	131	82%	0.82	76%	0.764	S	S	*	*			trans	70.8	130.5	-176.9	-55.3	-89.1	0	0	0	115.2
566	S	30.9	Very low	32.7	Very low	102 Å²	102	136 Å²	136	71%	0.713	77%	0.772	S	S	*	*			cis	82.3	146.9	26.5	96.3	0	0	0	0	114.6
567	S	31.6	Very low	32.8	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	77%	0.77	S	S	*	*			cis	-157.2	168.4	5	55.4	0	0	0	0	112.4
568	V	36	Very low	32.8	Very low	146 Å²	146	133.5 Å²	133.5	89%	0.885	77%	0.768	S	S	*	*				177.9	157.9	128.5	151	0	0	0	0	107.2
569	A	33.1	Very low	32.8	Very low	105 Å²	105	131.1 Å²	131.1	87%	0.868	77%	0.769	S	S	*	*			trans	-154	159.7	-172.9	0	0	0	0	0	114.3
570	G	34	Very low	32.9	Very low	64 Å²	64	129.2 Å²	129.2	66%	0.66	76%	0.761	S	S	*	*			trans	137.2	142.5	171.6	0	0	0	0	0	111.9
571	D	35.4	Very low	32.9	Very low	144 Å²	144	131.8 Å²	131.8	77%	0.77	77%	0.769	S	S	*	*			cis	-169.7	135.5	-9.2	-120.6	-31.7	0	0	0	105.3
572	I	39.6	Very low	33	Very low	139 Å²	139	126.6 Å²	126.6	71%	0.713	77%	0.765	S	S	*	*				-167.6	147.5	54.8	-94.2	139.4	0	0	0	110.7
573	K	35.3	Very low	32.9	Very low	183 Å²	183	129.6 Å²	129.6	80%	0.796	76%	0.764	S	S	*	*			trans	2.2	149.1	152.8	-54.1	155.5	-171.7	169.2	0	119.2
574	S	35.2	Very low	32.9	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	76%	0.759	S	S	*	*			cis	-158.3	146.1	34.6	57.5	0	0	0	0	117.6
575	N	33.2	Very low	32.9	Very low	139 Å²	139	130.3 Å²	130.3	74%	0.743	77%	0.768	S	S	*	*			trans	57.6	91.1	144	-59.1	-2.2	0	0	0	121.4
576	L	35.8	Very low	33.1	Very low	176 Å²	176	128.9 Å²	128.9	92%	0.921	77%	0.769	S	S	*	*				-146.2	160.2	108.7	-136.9	73.2	0	0	0	109.7
577	N	32.9	Very low	33.4	Very low	133 Å²	133	133 Å²	133	71%	0.711	77%	0.774	S	S	*	*			trans	-95.8	144.4	-154.6	-65.1	-32.3	0	0	0	115.8
578	N	29.6	Very low	33.3	Very low	143 Å²	143	134.3 Å²	134.3	77%	0.765	76%	0.763	S	S	*	*			trans	33.2	125.4	141.4	-48.6	-17.6	0	0	0	118
579	T	32.4	Very low	33.1	Very low	137 Å²	137	136 Å²	136	84%	0.84	76%	0.759	S	S	*	*				-163.2	151.1	54.3	-56.6	0	0	0	0	111
580	S	29.7	Very low	32.9	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	76%	0.755	S	S	*	*			trans	-90.5	145.3	-174.3	56.9	0	0	0	0	115.4
581	N	31.3	Very low	32.6	Very low	168 Å²	168	139.4 Å²	139.4	90%	0.898	75%	0.752	S	S	*	*				-162.9	144.4	129.6	-96.1	-31.3	0	0	0	110.7
582	G	28.6	Very low	32.4	Very low	76 Å²	76	140.4 Å²	140.4	78%	0.784	75%	0.749	S	S	*	*			trans	-95.4	139.8	-165.5	0	0	0	0	0	115.7
583	Q	31.9	Very low	32.2	Very low	151 Å²	151	138.7 Å²	138.7	71%	0.706	75%	0.75	S	S	*	*			trans	-140	161.3	160.3	-70.7	-167.7	0	0	0	110.2	Y588	Q583-Y588 PolarHBondContact OE1-OH 2.97Å
584	N	31.9	Very low	32	Very low	132 Å²	132	134.3 Å²	134.3	71%	0.706	74%	0.739	S	S	*	*			trans	-57.5	126	-176.3	-88.4	-55.5	0	0	0	113.1	N586	N584-N586 PolarHBondContact O-N 3.09Å
585	P	31.6	Very low	32.3	Very low	107 Å²	107	132.4 Å²	132.4	70%	0.695	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-70.8	-11.2	180	28.8	-35.5	0	0	0	114
586	N	35.6	Very low	33.2	Very low	157 Å²	157	128.8 Å²	128.8	84%	0.84	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-94.2	14.2	-170.4	-70.3	-17.8	0	0	0	115.4	N584	N584-N586 PolarHBondContact O-N 3.09Å
587	K	35.7	Very low	34.7	Very low	187 Å²	187	125.5 Å²	125.5	81%	0.813	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-118.7	-6.7	176.5	-145.3	180	-179	-173.3	0	115
588	Y	29.7	Very low	37.1	Very low	133 Å²	133	121.1 Å²	121.1	52%	0.522	66%	0.658	S	S	.	*			trans	-112.2	72.5	-177.7	-60.6	-69.3	0	0	0	111.3	Q583 L591	Q583-Y588 PolarHBondContact OE1-OH 2.97Å; Y588-L591 HydrophobicContact CD1-CD1 3.63Å; Y588-L591 HydrophobicContact CE1-CD1 4.31Å; Y588-L591 HydrophobicContact CG-CD1 4.26Å
589	K	32.7	Very low	39.8	Very low	183 Å²	183	116.3 Å²	116.3	80%	0.796	64%	0.635	S	S	*	*	S	Bend	trans	-108.3	22.6	174.5	-147.9	-167.1	176.9	-162.2	0	113.3
590	T	29.6	Very low	42.4	Very low	128 Å²	128	113.7 Å²	113.7	79%	0.785	61%	0.613	S	S	*	*	S	Bend	trans	-140.7	34.8	-177.3	52.1	0	0	0	0	111.3
591	L	27.9	Very low	45.3	Very low	111 Å²	111	109.9 Å²	109.9	58%	0.581	59%	0.586	S	S	*	*			trans	-129	53.1	-177.4	-80.7	-179.4	0	0	0	113.7	Y588	Y588-L591 HydrophobicContact CD1-CD1 3.63Å; Y588-L591 HydrophobicContact CE1-CD1 4.31Å; Y588-L591 HydrophobicContact CG-CD1 4.26Å
592	F	30.8	Very low	48.2	Very low	165 Å²	165	103.1 Å²	103.1	72%	0.724	55%	0.548	S	S	*	.			trans	-143	87.5	146.6	-69.5	-63.5	0	0	0	105.9	T594	F592-T594 PolarHBondContact O-N 2.78Å
593	S	34.5	Very low	51.2	Low	104 Å²	104	99.8 Å²	99.8	73%	0.727	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn		59.4	14.4	60.7	-156.3	0	0	0	0	114.9
594	T	31.2	Very low	53.9	Low	91 Å²	91	96.6 Å²	96.6	56%	0.558	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-27.2	168	49.3	0	0	0	0	112.3	F592 N596	F592-T594 PolarHBondContact O-N 2.78Å; T594-N596 PolarHBondContact O-N 3.06Å
595	S	41.3	Very low	56.7	Low	62 Å²	62	92.9 Å²	92.9	43%	0.434	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	37.9	-162.9	-148.4	0	0	0	0	116.4	L598	S595-L598 PolarHBondContact OG-O 3.39Å
596	N	52.4	Low	59.6	Low	63 Å²	63	91.4 Å²	91.4	34%	0.337	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.9	168.9	-121.7	49.5	0	0	0	111.9	G541 F543 T594	G541-N596 PolarHBondContact O-ND2 3.02Å; F543-N596 VanDerWaalsContact CD2-ND2 3.29Å; F543-N596 WeakPolarHBondContact CD2-ND2 3.25Å; F543-N596 PolarHBondContact N-ND2 3.3Å; F543-N596 PolarHBondContact N-OD1 2.94Å; T594-N596 PolarHBondContact O-N 3.06Å
597	Y	67.3	Low	62.3	Low	106 Å²	106	84.3 Å²	84.3	42%	0.416	43%	0.428	S	S	.	.	S	Bend	trans	-109.4	-32.1	-178.5	-69.6	-83.4	0	0	0	114	N460 T539	N460-Y597 PolarHBondContact ND2-O 3.39Å; T539-Y597 PolarHBondContact O-OH 2.96Å; T539-Y597 VanDerWaalsContact O-OH 3.14Å
598	L	83.4	Confident	64.9	Low	41 Å²	41	75.7 Å²	75.7	22%	0.215	39%	0.391	C	S	.	.	S	Bend	trans	-86.7	142	-177.1	-66.1	177.5	0	0	0	111.7	S595 E701 V704 A705 I708	S595-L598 PolarHBondContact OG-O 3.39Å; L598-E701 HydrophobicContact CD2-CB 4.29Å; L598-E701 HydrophobicContact CD2-CG 4.46Å; L598-V704 HydrophobicContact CD1-CG1 3.98Å; L598-V704 HydrophobicContact CD2-CB 4.29Å; L598-V704 HydrophobicContact CD2-CG1 4.05Å; L598-A705 HydrophobicContact CB-CB 4.25Å; L598-I708 HydrophobicContact CD1-CD1 3.62Å
599	P	87	Confident	67.7	Low	42 Å²	42	74.3 Å²	74.3	27%	0.273	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-73	161.3	178.3	32.1	-37.4	0	0	0	112.3	E701 Q702 A705	P599-E701 HydrophobicContact CG-CB 4.31Å; P599-Q702 HydrophobicContact CG-CB 4.21Å; P599-A705 HydrophobicContact CG-CB 4.35Å; P599-A705 WeakPolarHBondContact O-CB 3.3Å
600	E	86.7	Confident	70.3	Confident	83 Å²	83	67.2 Å²	67.2	39%	0.388	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-69.2	139.9	173.8	-173	164.1	-170.2	0	0	111.3	Y602 R605 Q702	E600-Y602 HydrophobicContact CB-CD2 4.38Å; E600-Y602 HydrophobicContact CB-CE1 4.22Å; E600-Y602 HydrophobicContact CB-CE2 4.02Å; E600-Y602 HydrophobicContact CG-CD1 4.07Å; E600-Y602 HydrophobicContact CG-CD2 4.4Å; E600-Y602 HydrophobicContact CG-CE1 4.12Å; E600-Y602 HydrophobicContact CG-CE2 4.45Å; E600-Y602 HydrophobicContact CG-CG 4.22Å; E600-Y602 WeakPolarHBondContact O-CD2 3.47Å; E600-Y602 WeakPolarHBondContact O-CE2 3.42Å; E600-R605 VanDerWaalsContact CD-NH2 3.31Å; E600-R605 IonicContact OE1-CZ 2.79Å; E600-R605 IonicContact OE1-NH1 3.55Å; E600-R605 PolarHBondContact OE1-NH1 2.92Å; E600-R605 IonicContact OE1-NH2 2.72Å; E600-R605 PolarHBondContact OE1-NH2 2.78Å; E600-R605 IonicContact OE2-NH2 3.67Å; E600-R605 PolarHBondContact OE2-NH2 2.78Å; E600-Q702 PolarHBondContact O-NE2 3.13Å; E600-Q702 VanDerWaalsContact O-NE2 3.11Å
601	T	90.3	Very high	72.9	Confident	18 Å²	18	68.5 Å²	68.5	11%	0.11	35%	0.345	C	S	.	.			trans	-84.5	-20.1	-179.8	61.3	0	0	0	0	113.3	K603 A705 D706 C709	T601-K603 PolarHBondContact O-N 3.3Å; T601-A705 HydrophobicContact CG2-CB 3.76Å; T601-A705 VanDerWaalsContact CG2-O 3.29Å; T601-A705 WeakPolarHBondContact CG2-O 3.49Å; T601-D706 VanDerWaalsContact CB-OD1 3.24Å; T601-D706 WeakPolarHBondContact CB-OD1 3.39Å; T601-D706 VanDerWaalsContact CG2-OD1 3.3Å; T601-D706 WeakPolarHBondContact CG2-OD1 3.22Å; T601-C709 HydrophobicContact CG2-CB 3.75Å; T601-C709 PolarHBondContact OG1-SG 3.05Å
602	Y	91.4	Very high	75.6	Confident	26 Å²	26	66.3 Å²	66.3	10%	0.102	33%	0.333	C	S	.	.			trans	54.2	9.3	-174.5	-51.6	-85.8	0	0	0	114.8	I386 V418 E600 D604 R605 F616 E618	I386-Y602 HydrophobicContact CD1-CD1 3.53Å; I386-Y602 HydrophobicContact CD1-CD2 3.91Å; I386-Y602 HydrophobicContact CD1-CE1 3.41Å; I386-Y602 VanDerWaalsContact CD1-CE1 3.41Å; I386-Y602 HydrophobicContact CD1-CE2 3.81Å; I386-Y602 HydrophobicContact CD1-CG 3.78Å; V418-Y602 HydrophobicContact CG2-CD2 3.67Å; V418-Y602 HydrophobicContact CG2-CE2 4.21Å; E600-Y602 HydrophobicContact CB-CD2 4.38Å; E600-Y602 HydrophobicContact CB-CE1 4.22Å; E600-Y602 HydrophobicContact CB-CE2 4.02Å; E600-Y602 HydrophobicContact CG-CD1 4.07Å; E600-Y602 HydrophobicContact CG-CD2 4.4Å; E600-Y602 HydrophobicContact CG-CE1 4.12Å; E600-Y602 HydrophobicContact CG-CE2 4.45Å; E600-Y602 HydrophobicContact CG-CG 4.22Å; E600-Y602 WeakPolarHBondContact O-CD2 3.47Å; E600-Y602 WeakPolarHBondContact O-CE2 3.42Å; Y602-D604 PolarHBondContact O-N 3.04Å; Y602-R605 HydrophobicContact CD1-CG 4.14Å; Y602-R605 VanDerWaalsContact O-CB 3.28Å; Y602-R605 WeakPolarHBondContact O-CB 3.47Å; Y602-R605 WeakPolarHBondContact O-CG 3.08Å; Y602-R605 PolarHBondContact O-N 3.34Å; Y602-F616 HydrophobicContact CG-CD2 4.33Å; Y602-E618 VanDerWaalsContact CE1-OE2 3.31Å; Y602-E618 WeakPolarHBondContact CE1-OE2 3.24Å
603	K	91.8	Very high	78.4	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.026	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.6	-179.1	-77.6	175.3	176.2	-67	0	114.5	D391 G413 F414 Y416 T601 D706 C709	D391-K603 IonicContact OD2-NZ 3.26Å; D391-K603 PolarHBondContact OD2-NZ 3.26Å; G413-K603 CarbonylContact C-O 3.56Å; F414-K603 PolarHBondContact N-O 2.9Å; F414-K603 VanDerWaalsContact N-O 3.14Å; F414-K603 PolarHBondContact O-NZ 2.88Å; F414-K603 VanDerWaalsContact O-NZ 3.09Å; Y416-K603 PolarHBondContact O-NZ 2.85Å; T601-K603 PolarHBondContact O-N 3.3Å; K603-D706 WeakPolarHBondContact CE-OD1 3.4Å; K603-C709 HydrophobicContact CD-CB 4.26Å
604	D	89.1	Confident	81.1	Confident	84 Å²	84	55.8 Å²	55.8	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.8	172.2	78.8	-33.3	0	0	0	114	Y602	Y602-D604 PolarHBondContact O-N 3.04Å
605	R	90.7	Very high	84.1	Confident	53 Å²	53	51.6 Å²	51.6	20%	0.2	25%	0.249	C	C	.	.	S	Bend	trans	-77.3	153.6	-179.3	-59.1	-57.5	-162.9	-91.2	-4.5	111.8	E600 Y602 L607 F616 E618	E600-R605 VanDerWaalsContact CD-NH2 3.31Å; E600-R605 IonicContact OE1-CZ 2.79Å; E600-R605 IonicContact OE1-NH1 3.55Å; E600-R605 PolarHBondContact OE1-NH1 2.92Å; E600-R605 IonicContact OE1-NH2 2.72Å; E600-R605 PolarHBondContact OE1-NH2 2.78Å; E600-R605 IonicContact OE2-NH2 3.67Å; E600-R605 PolarHBondContact OE2-NH2 2.78Å; Y602-R605 HydrophobicContact CD1-CG 4.14Å; Y602-R605 VanDerWaalsContact O-CB 3.28Å; Y602-R605 WeakPolarHBondContact O-CB 3.47Å; Y602-R605 WeakPolarHBondContact O-CG 3.08Å; Y602-R605 PolarHBondContact O-N 3.34Å; R605-L607 PolarHBondContact O-N 2.78Å; R605-F616 HydrophobicContact CB-CB 4.13Å; R605-F616 HydrophobicContact CB-CG 4.45Å; R605-E618 IonicContact CZ-OE1 2.71Å; R605-E618 IonicContact NE-OE1 3.05Å; R605-E618 PolarHBondContact NE-OE1 3.01Å; R605-E618 IonicContact NH2-OE1 3.61Å; R605-E618 PolarHBondContact NH2-OE1 3.09Å
606	P	91.8	Very high	86.7	Confident	77 Å²	77	48.6 Å²	48.6	50%	0.5	23%	0.229	S	C	.	.			trans	-59.1	133.8	175.2	-24.8	34.3	0	0	0	113.5	F616 E617	P606-F616 WeakPolarHBondContact O-CA 3.32Å; P606-E617 PolarHBondContact O-N 3.34Å
607	L	92.3	Very high	88.6	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	110.7	175.5	-169.6	81.8	0	0	0	111.7	T339 V388 I411 Y416 R605 F614 F616	T339-L607 PolarHBondContact OG1-O 2.81Å; T339-L607 VanDerWaalsContact OG1-O 3.08Å; V388-L607 HydrophobicContact CG2-CD1 3.79Å; I411-L607 HydrophobicContact CB-CD2 3.97Å; I411-L607 HydrophobicContact CG2-CD2 3.93Å; Y416-L607 HydrophobicContact CD1-CD1 4.16Å; Y416-L607 HydrophobicContact CD2-CD1 3.89Å; Y416-L607 HydrophobicContact CD2-CD2 3.55Å; Y416-L607 HydrophobicContact CD2-CG 4.38Å; Y416-L607 HydrophobicContact CE1-CD2 4.46Å; Y416-L607 HydrophobicContact CE2-CD1 4.41Å; Y416-L607 HydrophobicContact CE2-CD2 3.35Å; Y416-L607 HydrophobicContact CG-CD1 3.78Å; Y416-L607 HydrophobicContact CG-CD2 4.24Å; R605-L607 PolarHBondContact O-N 2.78Å; L607-F614 HydrophobicContact CD1-CB 4.31Å; L607-F614 HydrophobicContact CD1-CD1 4.39Å; L607-F614 HydrophobicContact CD2-CD1 3.71Å; L607-F614 HydrophobicContact CD2-CE1 4.04Å; L607-F614 HydrophobicContact CG-CD1 3.96Å; L607-F616 HydrophobicContact CD1-CD1 4Å; L607-F616 HydrophobicContact CD1-CE1 4Å
608	I	90.4	Very high	89.7	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	157.7	175.6	64.6	159.7	0	0	0	111.8	V336 Y385 F614 Y615 E617	V336-I608 HydrophobicContact CG1-CB 3.91Å; V336-I608 HydrophobicContact CG1-CD1 3.63Å; V336-I608 HydrophobicContact CG1-CG1 4.39Å; V336-I608 HydrophobicContact CG1-CG2 3.82Å; V336-I608 HydrophobicContact CG2-CD1 4.45Å; Y385-I608 HydrophobicContact CD1-CD1 3.45Å; Y385-I608 VanDerWaalsContact CD1-CD1 3.45Å; Y385-I608 HydrophobicContact CE1-CD1 3.7Å; Y385-I608 HydrophobicContact CG-CD1 4.48Å; I608-F614 WeakPolarHBondContact O-CA 3.28Å; I608-Y615 WeakPolarHBondContact CG1-O 3.33Å; I608-Y615 PolarHBondContact N-O 2.92Å; I608-Y615 PolarHBondContact O-N 3.27Å; I608-E617 HydrophobicContact CD1-CB 4.41Å; I608-E617 HydrophobicContact CG1-CB 4.36Å; I608-E617 HydrophobicContact CG2-CB 3.92Å
609	R	89.6	Confident	90	Very high	104 Å²	104	47.3 Å²	47.3	39%	0.392	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.7	171.8	179	174.7	171.6	162.4	-0.1	110.2	T339 N612 S613 F614	T339-R609 HydrophobicContact CG2-CB 4.14Å; T339-R609 WeakPolarHBondContact OG1-CB 3.39Å; T339-R609 PolarHBondContact OG1-N 3.27Å; T339-R609 VanDerWaalsContact OG1-N 3.17Å; R609-N612 PolarHBondContact NH2-OD1 3.47Å; R609-S613 CarbonylContact C-O 3.55Å; R609-S613 WeakPolarHBondContact CA-O 3.41Å; R609-F614 HydrophobicContact CB-CD1 4.26Å; R609-F614 HydrophobicContact CB-CE1 4.18Å
610	F	86.9	Confident	89.9	Confident	35 Å²	35	46.4 Å²	46.4	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124	176.6	178.8	-93	0	0	0	109.6	H376 A377 N612 S613 Y615	H376-F610 VanDerWaalsContact C-CE1 3.47Å; H376-F610 WeakPolarHBondContact O-CE1 3.29Å; A377-F610 HydrophobicContact CB-CD1 4.28Å; A377-F610 HydrophobicContact CB-CG 4.36Å; F610-N612 VanDerWaalsContact C-N 3.27Å; F610-N612 PolarHBondContact O-N 2.79Å; F610-N612 VanDerWaalsContact O-N 3.11Å; F610-S613 PolarHBondContact N-O 3.47Å; F610-S613 WeakPolarHBondContact O-CA 3.44Å; F610-S613 WeakPolarHBondContact O-CB 3.22Å; F610-S613 PolarHBondContact O-N 2.89Å; F610-Y615 HydrophobicContact CB-CD2 4.16Å; F610-Y615 HydrophobicContact CB-CE2 4.01Å; F610-Y615 HydrophobicContact CD1-CE2 4.48Å
611	R	84.3	Confident	89.9	Confident	155 Å²	155	45.9 Å²	45.9	59%	0.585	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	41	49.2	178.9	-63.5	-169.1	177.2	-163.4	-2.6	114.6	D375 S613	D375-R611 HydrophobicContact CB-CB 3.84Å; D375-R611 HydrophobicContact CB-CG 4.31Å; D375-R611 WeakPolarHBondContact OD1-CD 3.37Å; D375-R611 IonicContact OD1-CZ 2.74Å; D375-R611 IonicContact OD1-NE 2.73Å; D375-R611 IonicContact OD1-NH1 3.44Å; D375-R611 PolarHBondContact OD1-NH1 3.49Å; D375-R611 WeakPolarHBondContact OD2-CD 3.35Å; D375-R611 IonicContact OD2-NH1 2.73Å; D375-R611 PolarHBondContact OD2-NH1 2.85Å; R611-S613 PolarHBondContact O-N 2.86Å
612	N	84	Confident	89.7	Confident	64 Å²	64	47.2 Å²	47.2	34%	0.342	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	5	-178.5	-64.2	-18.3	0	0	0	117.1	G363 A365 R609 F610	G363-N612 WeakPolarHBondContact O-CB 3.45Å; A365-N612 HydrophobicContact CB-CB 4.11Å; R609-N612 PolarHBondContact NH2-OD1 3.47Å; F610-N612 VanDerWaalsContact C-N 3.27Å; F610-N612 PolarHBondContact O-N 2.79Å; F610-N612 VanDerWaalsContact O-N 3.11Å
613	S	89.3	Confident	89.5	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	157.2	169	-56.2	0	0	0	0	110.8	A365 P373 R609 F610 R611	A365-S613 WeakPolarHBondContact CB-OG 3.36Å; P373-S613 VanDerWaalsContact CB-OG 3.31Å; P373-S613 WeakPolarHBondContact CB-OG 3.35Å; P373-S613 WeakPolarHBondContact CG-OG 3.34Å; R609-S613 CarbonylContact C-O 3.55Å; R609-S613 WeakPolarHBondContact CA-O 3.41Å; F610-S613 PolarHBondContact N-O 3.47Å; F610-S613 WeakPolarHBondContact O-CA 3.44Å; F610-S613 WeakPolarHBondContact O-CB 3.22Å; F610-S613 PolarHBondContact O-N 2.89Å; R611-S613 PolarHBondContact O-N 2.86Å
614	F	92.8	Very high	89.4	Confident	40 Å²	40	56.3 Å²	56.3	18%	0.175	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.7	176.6	-72.2	-88.1	0	0	0	110.7	T339 V388 Y416 L607 I608 R609	T339-F614 HydrophobicContact CG2-CE1 3.72Å; T339-F614 HydrophobicContact CG2-CZ 4.41Å; V388-F614 HydrophobicContact CG2-CB 3.6Å; V388-F614 WeakPolarHBondContact CG2-O 3.38Å; V388-F614 PolarHBondContact N-O 2.84Å; Y416-F614 HydrophobicContact CD1-CB 4.34Å; Y416-F614 HydrophobicContact CE1-CB 3.98Å; Y416-F614 HydrophobicContact CE1-CD1 4.29Å; Y416-F614 AromaticContact CE1-CD2 3.95Å; Y416-F614 HydrophobicContact CE1-CD2 3.95Å; Y416-F614 AromaticContact CE1-CG 3.82Å; Y416-F614 HydrophobicContact CE1-CG 3.82Å; L607-F614 HydrophobicContact CD1-CB 4.31Å; L607-F614 HydrophobicContact CD1-CD1 4.39Å; L607-F614 HydrophobicContact CD2-CD1 3.71Å; L607-F614 HydrophobicContact CD2-CE1 4.04Å; L607-F614 HydrophobicContact CG-CD1 3.96Å; I608-F614 WeakPolarHBondContact O-CA 3.28Å; R609-F614 HydrophobicContact CB-CD1 4.26Å; R609-F614 HydrophobicContact CB-CE1 4.18Å
615	Y	94.5	Very high	89.3	Confident	2 Å²	2	54 Å²	54	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.6	175.3	-59	-99.5	0	0	0	110.2	H376 A377 I386 L387 I608 F610	H376-Y615 VanDerWaalsContact CA-OH 3.3Å; H376-Y615 WeakPolarHBondContact CA-OH 3.29Å; A377-Y615 HydrophobicContact CB-CD1 4.28Å; A377-Y615 HydrophobicContact CB-CD2 4.27Å; A377-Y615 HydrophobicContact CB-CE1 4.09Å; A377-Y615 HydrophobicContact CB-CE2 4.07Å; A377-Y615 HydrophobicContact CB-CG 4.4Å; A377-Y615 PolarHBondContact N-OH 3.37Å; I386-Y615 CarbonylContact O-C 3.52Å; I386-Y615 WeakPolarHBondContact O-CA 3.3Å; I386-Y615 WeakPolarHBondContact O-CB 3.43Å; L387-Y615 HydrophobicContact CB-CD1 4.14Å; L387-Y615 HydrophobicContact CB-CE1 3.88Å; L387-Y615 HydrophobicContact CD1-CD1 4.35Å; L387-Y615 HydrophobicContact CD1-CE1 3.78Å; L387-Y615 HydrophobicContact CG-CE1 4.42Å; I608-Y615 WeakPolarHBondContact CG1-O 3.33Å; I608-Y615 PolarHBondContact N-O 2.92Å; I608-Y615 PolarHBondContact O-N 3.27Å; F610-Y615 HydrophobicContact CB-CD2 4.16Å; F610-Y615 HydrophobicContact CB-CE2 4.01Å; F610-Y615 HydrophobicContact CD1-CE2 4.48Å
616	F	94.3	Very high	89.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133	155.3	-62.4	-44.1	0	0	0	108.7	Y385 I386 V388 V418 Y602 R605 P606 L607	Y385-F616 WeakPolarHBondContact CA-O 3.27Å; I386-F616 HydrophobicContact CB-CB 4.37Å; I386-F616 PolarHBondContact N-O 3.4Å; I386-F616 PolarHBondContact O-N 2.69Å; V388-F616 HydrophobicContact CG1-CB 4.44Å; V388-F616 HydrophobicContact CG1-CD1 4.05Å; V388-F616 HydrophobicContact CG1-CD2 3.26Å; V388-F616 HydrophobicContact CG1-CE1 4.09Å; V388-F616 HydrophobicContact CG1-CE2 3.36Å; V388-F616 HydrophobicContact CG1-CG 3.64Å; V388-F616 HydrophobicContact CG1-CZ 3.79Å; V418-F616 HydrophobicContact CG2-CE2 4.46Å; Y602-F616 HydrophobicContact CG-CD2 4.33Å; R605-F616 HydrophobicContact CB-CB 4.13Å; R605-F616 HydrophobicContact CB-CG 4.45Å; P606-F616 WeakPolarHBondContact O-CA 3.32Å; L607-F616 HydrophobicContact CD1-CD1 4Å; L607-F616 HydrophobicContact CD1-CE1 4Å
617	E	92.8	Very high	89.1	Confident	47 Å²	47	59.4 Å²	59.4	22%	0.22	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.9	171.5	-177.5	175.5	92.8	0	0	109.5	Y383 Y385 P606 I608	Y383-E617 HydrophobicContact CD1-CG 3.98Å; Y383-E617 HydrophobicContact CE1-CG 4.38Å; Y385-E617 HydrophobicContact CD1-CB 4.46Å; Y385-E617 HydrophobicContact CD1-CG 4.33Å; Y385-E617 HydrophobicContact CE1-CG 3.95Å; P606-E617 PolarHBondContact O-N 3.34Å; I608-E617 HydrophobicContact CD1-CB 4.41Å; I608-E617 HydrophobicContact CG1-CB 4.36Å; I608-E617 HydrophobicContact CG2-CB 3.92Å
618	E	90.1	Very high	88.9	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.065	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.5	175.7	-176.6	169.4	-145	0	0	110.2	Y383 R384 Y602 R605	Y383-E618 CarbonylContact C-O 3.39Å; Y383-E618 WeakPolarHBondContact CA-O 3.26Å; R384-E618 IonicContact CZ-OE2 3.65Å; R384-E618 PolarHBondContact N-O 2.88Å; R384-E618 IonicContact NH1-OE2 2.69Å; R384-E618 PolarHBondContact NH1-OE2 3.35Å; R384-E618 IonicContact NH2-OE1 2.78Å; R384-E618 IonicContact NH2-OE2 3.49Å; R384-E618 PolarHBondContact NH2-OE2 2.9Å; R384-E618 PolarHBondContact O-N 3.4Å; Y602-E618 VanDerWaalsContact CE1-OE2 3.31Å; Y602-E618 WeakPolarHBondContact CE1-OE2 3.24Å; R605-E618 IonicContact CZ-OE1 2.71Å; R605-E618 IonicContact NE-OE1 3.05Å; R605-E618 PolarHBondContact NE-OE1 3.01Å; R605-E618 IonicContact NH2-OE1 3.61Å; R605-E618 PolarHBondContact NH2-OE1 3.09Å
619	K	89	Confident	88.8	Confident	121 Å²	121	65.6 Å²	65.6	53%	0.526	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.4	177.4	-171	-156.2	172.4	-159.3	0	110.1	G382 Y383 E621	G382-K619 CarbonylContact O-C 3.6Å; G382-K619 WeakPolarHBondContact O-CA 3.48Å; G382-K619 WeakPolarHBondContact O-CG 3.34Å; Y383-K619 HydrophobicContact CE1-CB 4.41Å; Y383-K619 HydrophobicContact CE1-CG 4.41Å; K619-E621 HydrophobicContact CD-CG 4.44Å; K619-E621 IonicContact NZ-OE1 3.18Å; K619-E621 PolarHBondContact NZ-OE1 2.97Å
620	D	86.1	Confident	88.8	Confident	23 Å²	23	64.1 Å²	64.1	12%	0.123	31%	0.306	C	S	.	.			trans	-82.6	134.4	178.5	-84.6	-12.6	0	0	0	112.5	G382 R384 Y487	G382-D620 PolarHBondContact O-N 3.2Å; R384-D620 WeakPolarHBondContact CG-OD2 3.28Å; R384-D620 IonicContact CZ-OD1 3.55Å; R384-D620 VanDerWaalsContact NE-CG 3.32Å; R384-D620 IonicContact NE-OD1 3.47Å; R384-D620 PolarHBondContact NE-OD1 2.81Å; R384-D620 IonicContact NE-OD2 2.8Å; R384-D620 PolarHBondContact NE-OD2 3.18Å; R384-D620 IonicContact NH2-OD1 2.79Å; R384-D620 PolarHBondContact NH2-OD1 2.99Å; Y487-D620 WeakPolarHBondContact CE1-OD1 3.34Å
621	E	86.3	Confident	89	Confident	72 Å²	72	66 Å²	66	34%	0.336	32%	0.322	S	S	.	.			trans	-130.9	64.6	175	-60.7	-170	135.7	0	0	109.9	K619 T623 K624 V625	K619-E621 HydrophobicContact CD-CG 4.44Å; K619-E621 IonicContact NZ-OE1 3.18Å; K619-E621 PolarHBondContact NZ-OE1 2.97Å; E621-T623 VanDerWaalsContact C-N 3.25Å; E621-T623 PolarHBondContact O-N 3.45Å; E621-T623 VanDerWaalsContact O-N 3.14Å; E621-K624 HydrophobicContact CB-CB 4.46Å; E621-K624 HydrophobicContact CB-CD 4.04Å; E621-K624 HydrophobicContact CB-CG 4.21Å; E621-K624 WeakPolarHBondContact O-CB 3.4Å; E621-K624 PolarHBondContact O-N 3.17Å; E621-K624 IonicContact OE1-NZ 3.61Å; E621-K624 WeakPolarHBondContact OE2-CD 3.35Å; E621-K624 WeakPolarHBondContact OE2-CE 3.45Å; E621-K624 IonicContact OE2-NZ 2.64Å; E621-K624 PolarHBondContact OE2-NZ 2.83Å; E621-V625 PolarHBondContact O-N 2.96Å
622	P	85.2	Confident	89.4	Confident	47 Å²	47	59.1 Å²	59.1	31%	0.305	30%	0.296	S	S	.	.	H	α-helix	trans	-58.2	-35.3	-167.5	22.7	-34.1	0	0	0	112.7	F499 K624 V625 E626	F499-P622 HydrophobicContact CE2-CB 4.1Å; F499-P622 HydrophobicContact CZ-CB 4.45Å; P622-K624 PolarHBondContact O-N 3.16Å; P622-V625 PolarHBondContact O-N 2.98Å; P622-V625 VanDerWaalsContact O-N 3.1Å; P622-E626 WeakPolarHBondContact O-CB 3.27Å; P622-E626 PolarHBondContact O-N 2.93Å
623	T	88.5	Confident	89.8	Confident	96 Å²	96	60.7 Å²	60.7	59%	0.589	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-15.5	176.5	-40.2	0	0	0	0	114.1	E621 K627	E621-T623 VanDerWaalsContact C-N 3.25Å; E621-T623 PolarHBondContact O-N 3.45Å; E621-T623 VanDerWaalsContact O-N 3.14Å; T623-K627 WeakPolarHBondContact O-CE 3.31Å
624	K	88.9	Confident	90	Very high	127 Å²	127	62.6 Å²	62.6	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-83.6	-48.5	168.2	-64.4	-174.9	-176.5	173.8	0	110.5	E621 P622 E626 K627	E621-K624 HydrophobicContact CB-CB 4.46Å; E621-K624 HydrophobicContact CB-CD 4.04Å; E621-K624 HydrophobicContact CB-CG 4.21Å; E621-K624 WeakPolarHBondContact O-CB 3.4Å; E621-K624 PolarHBondContact O-N 3.17Å; E621-K624 IonicContact OE1-NZ 3.61Å; E621-K624 WeakPolarHBondContact OE2-CD 3.35Å; E621-K624 WeakPolarHBondContact OE2-CE 3.45Å; E621-K624 IonicContact OE2-NZ 2.64Å; E621-K624 PolarHBondContact OE2-NZ 2.83Å; P622-K624 PolarHBondContact O-N 3.16Å; K624-E626 VanDerWaalsContact C-N 3.29Å; K624-E626 PolarHBondContact O-N 3.23Å; K624-K627 WeakPolarHBondContact O-CB 3.2Å; K624-K627 PolarHBondContact O-N 3.5Å; K624-K627 VanDerWaalsContact O-N 3.15Å
625	V	86.7	Confident	90.1	Very high	35 Å²	35	60.7 Å²	60.7	21%	0.212	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-36.8	179.9	-170.8	0	0	0	0	111.6	Y487 F499 E621 P622 K627 L628 L629	Y487-V625 HydrophobicContact CD1-CG2 4.42Å; Y487-V625 HydrophobicContact CD2-CB 4.26Å; Y487-V625 HydrophobicContact CD2-CG1 3.81Å; Y487-V625 HydrophobicContact CD2-CG2 4.27Å; Y487-V625 HydrophobicContact CE1-CG2 4.04Å; Y487-V625 HydrophobicContact CE2-CB 4.28Å; Y487-V625 HydrophobicContact CE2-CG1 3.77Å; Y487-V625 HydrophobicContact CE2-CG2 3.9Å; F499-V625 HydrophobicContact CE1-CB 4.34Å; F499-V625 HydrophobicContact CE1-CG1 4.04Å; F499-V625 HydrophobicContact CZ-CB 4.27Å; F499-V625 HydrophobicContact CZ-CG1 4.47Å; E621-V625 PolarHBondContact O-N 2.96Å; P622-V625 PolarHBondContact O-N 2.98Å; P622-V625 VanDerWaalsContact O-N 3.1Å; V625-K627 PolarHBondContact O-N 2.97Å; V625-K627 VanDerWaalsContact O-N 3.12Å; V625-L628 WeakPolarHBondContact O-CA 3.41Å; V625-L628 WeakPolarHBondContact O-CB 3.32Å; V625-L628 PolarHBondContact O-N 2.92Å; V625-L629 PolarHBondContact O-N 3.1Å
626	E	89.1	Confident	90.2	Very high	71 Å²	71	64 Å²	64	33%	0.332	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.8	177.1	-161.1	-163	141.6	0	0	112.9	K498 F499 P622 K624 L629	K498-E626 HydrophobicContact CD-CG 3.77Å; K498-E626 WeakPolarHBondContact CE-OE1 3.45Å; K498-E626 IonicContact NZ-OE1 2.69Å; K498-E626 PolarHBondContact NZ-OE1 3.33Å; F499-E626 HydrophobicContact CZ-CB 4.03Å; F499-E626 HydrophobicContact CZ-CG 4.49Å; P622-E626 WeakPolarHBondContact O-CB 3.27Å; P622-E626 PolarHBondContact O-N 2.93Å; K624-E626 VanDerWaalsContact C-N 3.29Å; K624-E626 PolarHBondContact O-N 3.23Å; E626-L629 HydrophobicContact CG-CD1 4.29Å
627	K	90	Very high	90.4	Very high	172 Å²	172	64 Å²	64	75%	0.748	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.5	177.1	-59.7	178.8	-177	-174.2	0	113.5	T623 K624 V625	T623-K627 WeakPolarHBondContact O-CE 3.31Å; K624-K627 WeakPolarHBondContact O-CB 3.2Å; K624-K627 PolarHBondContact O-N 3.5Å; K624-K627 VanDerWaalsContact O-N 3.15Å; V625-K627 PolarHBondContact O-N 2.97Å; V625-K627 VanDerWaalsContact O-N 3.12Å
628	L	88.3	Confident	90.6	Very high	116 Å²	116	62.1 Å²	62.1	61%	0.607	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-10.1	177	-56.2	176.1	0	0	0	112	V625 H630	V625-L628 WeakPolarHBondContact O-CA 3.41Å; V625-L628 WeakPolarHBondContact O-CB 3.32Å; V625-L628 PolarHBondContact O-N 2.92Å; L628-H630 PolarHBondContact O-N 2.75Å; L628-H630 PolarHBondContact O-ND1 3.35Å
629	L	88	Confident	91	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.141	33%	0.326	C	S	.	.			trans	-62.9	126.1	175.4	-68.5	180	0	0	0	111	K498 F499 V625 E626 Y654	K498-L629 HydrophobicContact CB-CD1 3.69Å; K498-L629 HydrophobicContact CD-CD1 4.38Å; F499-L629 HydrophobicContact CD1-CD1 4.02Å; F499-L629 HydrophobicContact CD1-CD2 4.19Å; F499-L629 HydrophobicContact CE1-CD1 3.72Å; F499-L629 HydrophobicContact CE1-CD2 3.93Å; F499-L629 HydrophobicContact CE1-CG 4.05Å; F499-L629 HydrophobicContact CZ-CD1 4.24Å; V625-L629 PolarHBondContact O-N 3.1Å; E626-L629 HydrophobicContact CG-CD1 4.29Å; L629-Y654 HydrophobicContact CB-CD1 3.7Å; L629-Y654 HydrophobicContact CB-CE1 4.08Å; L629-Y654 HydrophobicContact CB-CG 3.95Å; L629-Y654 HydrophobicContact CD1-CD2 4.08Å; L629-Y654 HydrophobicContact CD1-CE2 4.41Å; L629-Y654 HydrophobicContact CD1-CG 4.26Å; L629-Y654 HydrophobicContact CD2-CG 4.41Å; L629-Y654 HydrophobicContact CG-CG 4.45Å
630	H	89.5	Confident	91.4	Very high	74 Å²	74	55.8 Å²	55.8	34%	0.343	30%	0.301	S	S	.	.			trans	-134.4	140.8	176.4	52.4	-84	0	0	0	109	F543 L628 Y654 A655	F543-H630 AromaticContact CD1-CE1 3.82Å; F543-H630 AromaticContact CD1-NE2 3.09Å; F543-H630 WeakPolarHBondContact CD1-NE2 3.4Å; F543-H630 AromaticContact CE1-NE2 3.25Å; F543-H630 VanDerWaalsContact CE1-NE2 3.25Å; F543-H630 WeakPolarHBondContact CE1-NE2 3.45Å; F543-H630 AromaticContact CG-NE2 3.76Å; L628-H630 PolarHBondContact O-N 2.75Å; L628-H630 PolarHBondContact O-ND1 3.35Å; H630-Y654 CarbonylContact O-C 3.59Å; H630-Y654 WeakPolarHBondContact O-CA 3.17Å; H630-A655 VanDerWaalsContact NE2-CB 3.35Å; H630-A655 WeakPolarHBondContact NE2-CB 3.44Å; H630-A655 PolarHBondContact O-N 3.07Å
631	P	92.2	Very high	91.9	Very high	74 Å²	74	56.9 Å²	56.9	48%	0.481	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-57.4	139.4	176.4	-27.9	37.2	0	0	0	112.3	P633 N652 Y654	P631-P633 WeakPolarHBondContact O-CD 3.4Å; P631-N652 HydrophobicContact CB-CB 4.36Å; P631-Y654 HydrophobicContact CG-CD1 4.45Å; P631-Y654 HydrophobicContact CG-CE1 4.38Å
632	L	91.8	Very high	92.4	Very high	10 Å²	10	56 Å²	56	5%	0.052	30%	0.303	C	S	.	.			trans	-94.8	105.6	170.4	175.5	58.6	0	0	0	108.9	L536 T539 G634 S635 I653 A655	L536-L632 HydrophobicContact CB-CD2 4.42Å; L536-L632 HydrophobicContact CD2-CD2 4.11Å; T539-L632 VanDerWaalsContact OG1-CD1 3.31Å; T539-L632 WeakPolarHBondContact OG1-CD1 3.42Å; L632-G634 PolarHBondContact O-N 3.5Å; L632-S635 WeakPolarHBondContact O-CB 3.16Å; L632-S635 PolarHBondContact O-N 2.8Å; L632-S635 PolarHBondContact O-OG 3.37Å; L632-I653 WeakPolarHBondContact CB-O 3.43Å; L632-I653 PolarHBondContact N-O 3.43Å; L632-A655 HydrophobicContact CB-CB 4.19Å
633	P	92.8	Very high	92.8	Very high	98 Å²	98	54.9 Å²	54.9	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	137.3	-175.4	-24.2	35.8	0	0	0	112.4	P631 S635 N652	P631-P633 WeakPolarHBondContact O-CD 3.4Å; P633-S635 PolarHBondContact O-N 3.15Å; P633-N652 WeakPolarHBondContact CA-OD1 3.44Å
634	G	93	Very high	93.2	Very high	48 Å²	48	57.5 Å²	57.5	50%	0.495	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-10.5	-179.7	0	0	0	0	0	115.1	L632 N652	L632-G634 PolarHBondContact O-N 3.5Å; G634-N652 PolarHBondContact N-OD1 3.13Å
635	S	95.5	Very high	93.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	29%	0.291	C	S	.	.			trans	-64.5	148.8	171.2	64.7	0	0	0	0	111.8	H535 L632 P633 T651 N652 I653	H535-S635 VanDerWaalsContact O-CA 3.23Å; H535-S635 WeakPolarHBondContact O-CA 3.18Å; H535-S635 WeakPolarHBondContact O-CB 3.18Å; L632-S635 WeakPolarHBondContact O-CB 3.16Å; L632-S635 PolarHBondContact O-N 2.8Å; L632-S635 PolarHBondContact O-OG 3.37Å; P633-S635 PolarHBondContact O-N 3.15Å; S635-T651 CarbonylContact O-C 3.52Å; S635-T651 WeakPolarHBondContact O-CA 3.25Å; S635-N652 PolarHBondContact O-N 3.27Å; S635-N652 WeakPolarHBondContact OG-CA 3.22Å; S635-I653 VanDerWaalsContact OG-CG1 3.23Å; S635-I653 WeakPolarHBondContact OG-CG1 3.39Å; S635-I653 PolarHBondContact OG-N 2.79Å; S635-I653 PolarHBondContact OG-O 3.15Å
636	K	97	Very high	93.9	Very high	71 Å²	71	53.5 Å²	53.5	31%	0.309	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155.9	179.5	58	175.7	179	179	0	112.9	I534 H535 F650 T651	I534-K636 WeakPolarHBondContact CA-O 3.45Å; H535-K636 HydrophobicContact CB-CG 3.78Å; H535-K636 PolarHBondContact N-O 3.39Å; H535-K636 PolarHBondContact O-N 2.61Å; K636-F650 CarbonylContact C-O 3.46Å; K636-F650 VanDerWaalsContact CA-O 3.22Å; K636-F650 WeakPolarHBondContact CA-O 3.5Å; K636-F650 WeakPolarHBondContact CB-O 3.42Å; K636-T651 HydrophobicContact CB-CG2 4.26Å
637	I	98.2	Very high	94.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.3	166.9	-67.6	167.7	0	0	0	108.2	W483 Y501 M533 I534 F639 A648 A649 F650 I653	W483-I637 HydrophobicContact CB-CD1 4.26Å; W483-I637 HydrophobicContact CG-CD1 4.4Å; Y501-I637 HydrophobicContact CD2-CD1 4.25Å; Y501-I637 HydrophobicContact CG-CD1 3.92Å; M533-I637 WeakPolarHBondContact O-CA 3.36Å; I534-I637 HydrophobicContact CB-CG1 4.34Å; I534-I637 HydrophobicContact CD1-CD1 4.42Å; I534-I637 HydrophobicContact CD1-CG1 4.21Å; I534-I637 HydrophobicContact CG1-CG1 3.86Å; I637-F639 HydrophobicContact CG2-CD2 4.29Å; I637-F639 HydrophobicContact CG2-CE1 4.34Å; I637-F639 HydrophobicContact CG2-CE2 3.66Å; I637-F639 HydrophobicContact CG2-CZ 3.69Å; I637-A648 CarbonylContact O-C 3.29Å; I637-A648 WeakPolarHBondContact O-CA 3.36Å; I637-A649 PolarHBondContact O-N 3.22Å; I637-F650 HydrophobicContact CB-CB 4.33Å; I637-F650 HydrophobicContact CB-CD2 4.11Å; I637-F650 HydrophobicContact CD1-CD2 4.32Å; I637-F650 HydrophobicContact CG2-CD2 4.27Å; I637-F650 PolarHBondContact N-O 3.16Å; I637-F650 PolarHBondContact O-N 3.2Å; I637-I653 HydrophobicContact CD1-CD1 4Å; I637-I653 HydrophobicContact CD1-CG2 4.27Å; I637-I653 HydrophobicContact CG1-CD1 4.1Å
638	T	97.7	Very high	94.5	Very high	7 Å²	7	46 Å²	46	4%	0.043	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.1	179.4	-62.4	0	0	0	0	108.5	M533 Y640 C645	M533-T638 PolarHBondContact N-O 2.88Å; M533-T638 PolarHBondContact O-N 3.45Å; T638-Y640 HydrophobicContact CG2-CD2 4.28Å; T638-Y640 HydrophobicContact CG2-CE2 3.61Å; T638-C645 VanDerWaalsContact CG2-SG 3.51Å
639	F	97.9	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	153.4	173.5	-64.1	-79	0	0	0	111.6	I481 W503 Y519 I530 G531 C532 I637 M646 A649 F650	I481-F639 WeakPolarHBondContact O-CE1 3.43Å; W503-F639 HydrophobicContact CB-CD1 4.11Å; W503-F639 HydrophobicContact CB-CD2 3.83Å; W503-F639 HydrophobicContact CB-CE1 4Å; W503-F639 HydrophobicContact CB-CE2 3.72Å; W503-F639 HydrophobicContact CB-CG 4.03Å; W503-F639 HydrophobicContact CB-CZ 3.81Å; W503-F639 HydrophobicContact CD2-CB 4.28Å; W503-F639 HydrophobicContact CD2-CG 4.31Å; W503-F639 HydrophobicContact CE3-CB 3.57Å; W503-F639 HydrophobicContact CE3-CD1 4.08Å; W503-F639 AromaticContact CE3-CG 3.83Å; W503-F639 HydrophobicContact CE3-CG 3.83Å; W503-F639 HydrophobicContact CG-CD2 4.35Å; W503-F639 HydrophobicContact CG-CG 4.43Å; W503-F639 HydrophobicContact CZ3-CB 4Å; Y519-F639 HydrophobicContact CE1-CB 4.2Å; Y519-F639 HydrophobicContact CE1-CD2 4.03Å; Y519-F639 PolarHBondContact OH-N 2.94Å; I530-F639 HydrophobicContact CG2-CD1 4.35Å; G531-F639 CarbonylContact O-C 3.56Å; G531-F639 WeakPolarHBondContact O-CA 3.3Å; C532-F639 HydrophobicContact CB-CD1 4.43Å; C532-F639 HydrophobicContact CB-CE1 4.38Å; I637-F639 HydrophobicContact CG2-CD2 4.29Å; I637-F639 HydrophobicContact CG2-CE1 4.34Å; I637-F639 HydrophobicContact CG2-CE2 3.66Å; I637-F639 HydrophobicContact CG2-CZ 3.69Å; F639-M646 WeakPolarHBondContact O-CB 3.01Å; F639-M646 PolarHBondContact O-N 2.87Å; F639-A649 HydrophobicContact CD2-CB 3.62Å; F639-A649 HydrophobicContact CE2-CB 3.69Å; F639-F650 HydrophobicContact CE2-CD2 4.48Å; F639-F650 HydrophobicContact CE2-CE2 4.19Å
640	Y	97.5	Very high	95.4	Very high	2 Å²	2	41 Å²	41	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.6	177.7	-62.1	-109.7	0	0	0	109	Y465 I530 G531 M533 T638 K644 C645 P682 D684	Y465-Y640 AromaticContact CE2-CD2 3.97Å; Y465-Y640 HydrophobicContact CE2-CD2 3.97Å; Y465-Y640 HydrophobicContact CE2-CE2 4.37Å; Y465-Y640 HydrophobicContact CE2-CG 4.48Å; I530-Y640 WeakPolarHBondContact CA-O 3.18Å; G531-Y640 PolarHBondContact N-O 3.31Å; G531-Y640 PolarHBondContact O-N 3.06Å; M533-Y640 HydrophobicContact CB-CE2 3.92Å; M533-Y640 HydrophobicContact CE-CE2 4.08Å; M533-Y640 VanDerWaalsContact CE-OH 3.31Å; M533-Y640 WeakPolarHBondContact CE-OH 3.42Å; T638-Y640 HydrophobicContact CG2-CD2 4.28Å; T638-Y640 HydrophobicContact CG2-CE2 3.61Å; Y640-K644 CarbonylContact C-O 3.53Å; Y640-K644 VanDerWaalsContact CA-O 3.24Å; Y640-K644 WeakPolarHBondContact CA-O 3.36Å; Y640-C645 HydrophobicContact CD1-CB 3.83Å; Y640-C645 HydrophobicContact CE1-CB 3.57Å; Y640-P682 HydrophobicContact CE1-CB 4.01Å; Y640-P682 HydrophobicContact CE1-CG 4.34Å; Y640-P682 HydrophobicContact CE2-CG 4.38Å; Y640-D684 VanDerWaalsContact CE1-OD1 3.24Å; Y640-D684 WeakPolarHBondContact CE1-OD1 3.02Å; Y640-D684 VanDerWaalsContact OH-CG 3.28Å; Y640-D684 PolarHBondContact OH-OD1 2.93Å; Y640-D684 PolarHBondContact OH-OD2 2.85Å; Y640-D684 VanDerWaalsContact OH-OD2 3.11Å
641	H	96.8	Very high	95.8	Very high	47 Å²	47	41.9 Å²	41.9	22%	0.218	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.3	176.1	-171.1	-148.4	0	0	0	108.7	W503 D528 G643 K644 M646	W503-H641 HydrophobicContact CH2-CB 3.95Å; W503-H641 HydrophobicContact CZ3-CB 4.46Å; D528-H641 IonicContact OD1-NE2 3.2Å; D528-H641 PolarHBondContact OD1-NE2 3.5Å; D528-H641 IonicContact OD2-CD2 2.67Å; D528-H641 IonicContact OD2-CE1 2.7Å; D528-H641 IonicContact OD2-NE2 3.66Å; D528-H641 PolarHBondContact OD2-NE2 3.2Å; H641-G643 PolarHBondContact O-N 3Å; H641-G643 VanDerWaalsContact O-N 3.15Å; H641-K644 PolarHBondContact N-O 2.9Å; H641-K644 WeakPolarHBondContact O-CB 3.44Å; H641-K644 PolarHBondContact O-N 3.27Å; H641-M646 HydrophobicContact CB-CE 3.98Å; H641-M646 HydrophobicContact CB-CG 4.1Å; H641-M646 HydrophobicContact CB-SD 3.85Å
642	N	96.4	Very high	95.9	Very high	53 Å²	53	42.3 Å²	42.3	28%	0.283	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	41.8	-176.3	-58.4	-46.2	0	0	0	112.7	D528 I529 K644 Y680	D528-N642 PolarHBondContact OD1-ND2 3.34Å; I529-N642 PolarHBondContact N-OD1 2.88Å; I529-N642 PolarHBondContact O-N 3.29Å; N642-K644 PolarHBondContact O-N 3.45Å; N642-Y680 HydrophobicContact CB-CD2 4.37Å; N642-Y680 HydrophobicContact CB-CE2 3.91Å
643	G	94	Very high	96.1	Very high	24 Å²	24	42 Å²	42	25%	0.247	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-16.9	-177.9	0	0	0	0	0	116.4	H641 C645	H641-G643 PolarHBondContact O-N 3Å; H641-G643 VanDerWaalsContact O-N 3.15Å; G643-C645 PolarHBondContact O-N 2.92Å
644	K	95.3	Very high	96.1	Very high	150 Å²	150	39.4 Å²	39.4	65%	0.652	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.7	175.9	-175.4	-176.5	167.7	-169.2	0	110.1	Y640 H641 N642 M646	Y640-K644 CarbonylContact C-O 3.53Å; Y640-K644 VanDerWaalsContact CA-O 3.24Å; Y640-K644 WeakPolarHBondContact CA-O 3.36Å; H641-K644 PolarHBondContact N-O 2.9Å; H641-K644 WeakPolarHBondContact O-CB 3.44Å; H641-K644 PolarHBondContact O-N 3.27Å; N642-K644 PolarHBondContact O-N 3.45Å; K644-M646 HydrophobicContact CB-CE 3.86Å; K644-M646 HydrophobicContact CD-CE 3.61Å; K644-M646 HydrophobicContact CG-CE 3.54Å; K644-M646 VanDerWaalsContact O-CE 3.28Å; K644-M646 WeakPolarHBondContact O-CE 3.3Å; K644-M646 PolarHBondContact O-N 3.24Å
645	C	96.2	Very high	96	Very high	45 Å²	45	37.5 Å²	37.5	30%	0.304	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	129	174	-173	0	0	0	0	111	T638 Y640 G643 D684	T638-C645 VanDerWaalsContact CG2-SG 3.51Å; Y640-C645 HydrophobicContact CD1-CB 3.83Å; Y640-C645 HydrophobicContact CE1-CB 3.57Å; G643-C645 PolarHBondContact O-N 2.92Å; C645-D684 WeakPolarHBondContact CB-OD2 3.43Å; C645-D684 PolarHBondContact SG-OD2 2.86Å
646	M	95.5	Very high	95.7	Very high	34 Å²	34	39 Å²	39	17%	0.167	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	4.1	177.8	-58.1	-72.2	97.2	0	0	112.3	W503 Y519 V520 F639 H641 K644	W503-M646 HydrophobicContact CH2-CG 4.14Å; W503-M646 HydrophobicContact CZ3-CG 4.5Å; Y519-M646 HydrophobicContact CE1-CB 3.95Å; Y519-M646 WeakPolarHBondContact CE2-O 3.48Å; Y519-M646 VanDerWaalsContact OH-CB 3.32Å; Y519-M646 WeakPolarHBondContact OH-CB 3.4Å; Y519-M646 PolarHBondContact OH-O 3.36Å; V520-M646 HydrophobicContact CG1-CB 4.12Å; V520-M646 HydrophobicContact CG1-CG 4.39Å; V520-M646 HydrophobicContact CG1-SD 3.82Å; F639-M646 WeakPolarHBondContact O-CB 3.01Å; F639-M646 PolarHBondContact O-N 2.87Å; H641-M646 HydrophobicContact CB-CE 3.98Å; H641-M646 HydrophobicContact CB-CG 4.1Å; H641-M646 HydrophobicContact CB-SD 3.85Å; K644-M646 HydrophobicContact CB-CE 3.86Å; K644-M646 HydrophobicContact CD-CE 3.61Å; K644-M646 HydrophobicContact CG-CE 3.54Å; K644-M646 VanDerWaalsContact O-CE 3.28Å; K644-M646 WeakPolarHBondContact O-CE 3.3Å; K644-M646 PolarHBondContact O-N 3.24Å
647	G	94.8	Very high	95.5	Very high	32 Å²	32	37 Å²	37	33%	0.33	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.9	178.9	-176	0	0	0	0	0	113.8	Y519 A649	Y519-G647 PolarHBondContact OH-O 3.4Å; G647-A649 PolarHBondContact O-N 2.91Å
648	A	96.2	Very high	95.4	Very high	53 Å²	53	37 Å²	37	44%	0.438	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	115.6	-179.4	0	0	0	0	0	111.2	I637 T651	I637-A648 CarbonylContact O-C 3.29Å; I637-A648 WeakPolarHBondContact O-CA 3.36Å; A648-T651 HydrophobicContact CB-CG2 4.09Å
649	A	97.3	Very high	95.4	Very high	19 Å²	19	38.5 Å²	38.5	16%	0.157	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-31.9	175.7	0	0	0	0	0	112.5	A510 Y519 I637 F639 G647	A510-A649 HydrophobicContact CB-CB 4.17Å; Y519-A649 HydrophobicContact CD1-CB 4.44Å; Y519-A649 HydrophobicContact CD2-CB 4.02Å; Y519-A649 HydrophobicContact CE1-CB 4.08Å; Y519-A649 HydrophobicContact CE2-CB 3.63Å; Y519-A649 HydrophobicContact CG-CB 4.4Å; I637-A649 PolarHBondContact O-N 3.22Å; F639-A649 HydrophobicContact CD2-CB 3.62Å; F639-A649 HydrophobicContact CE2-CB 3.69Å; G647-A649 PolarHBondContact O-N 2.91Å
650	F	98	Very high	95.4	Very high	19 Å²	19	38.6 Å²	38.6	8%	0.083	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.7	179.5	-54.1	-79.4	0	0	0	109.9	Y501 A510 F511 H512 K636 I637 F639 I653	Y501-F650 HydrophobicContact CD1-CB 4.16Å; Y501-F650 AromaticContact CD1-CD1 3.64Å; Y501-F650 HydrophobicContact CD1-CD1 3.64Å; Y501-F650 HydrophobicContact CD1-CD2 4.01Å; Y501-F650 AromaticContact CD1-CE1 3.93Å; Y501-F650 HydrophobicContact CD1-CE1 3.93Å; Y501-F650 HydrophobicContact CD1-CE2 4.28Å; Y501-F650 AromaticContact CD1-CG 3.66Å; Y501-F650 HydrophobicContact CD1-CG 3.66Å; Y501-F650 HydrophobicContact CD1-CZ 4.23Å; Y501-F650 HydrophobicContact CE1-CD1 4.24Å; Y501-F650 HydrophobicContact CE1-CG 4.41Å; Y501-F650 HydrophobicContact CG-CD2 4.41Å; Y501-F650 HydrophobicContact CG-CG 4.46Å; A510-F650 HydrophobicContact CB-CE1 4.26Å; A510-F650 HydrophobicContact CB-CE2 4.15Å; A510-F650 HydrophobicContact CB-CZ 3.73Å; F511-F650 WeakPolarHBondContact O-CZ 3.46Å; H512-F650 HydrophobicContact CB-CD1 4.43Å; H512-F650 HydrophobicContact CB-CE1 3.66Å; H512-F650 HydrophobicContact CB-CZ 4.19Å; K636-F650 CarbonylContact C-O 3.46Å; K636-F650 VanDerWaalsContact CA-O 3.22Å; K636-F650 WeakPolarHBondContact CA-O 3.5Å; K636-F650 WeakPolarHBondContact CB-O 3.42Å; I637-F650 HydrophobicContact CB-CB 4.33Å; I637-F650 HydrophobicContact CB-CD2 4.11Å; I637-F650 HydrophobicContact CD1-CD2 4.32Å; I637-F650 HydrophobicContact CG2-CD2 4.27Å; I637-F650 PolarHBondContact N-O 3.16Å; I637-F650 PolarHBondContact O-N 3.2Å; F639-F650 HydrophobicContact CE2-CD2 4.48Å; F639-F650 HydrophobicContact CE2-CE2 4.19Å; F650-I653 HydrophobicContact CB-CG2 3.72Å
651	T	97.3	Very high	95.5	Very high	92 Å²	92	38.6 Å²	38.6	56%	0.564	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.9	174.5	53.8	0	0	0	0	109.2	S635 K636 A648 I653	S635-T651 CarbonylContact O-C 3.52Å; S635-T651 WeakPolarHBondContact O-CA 3.25Å; K636-T651 HydrophobicContact CB-CG2 4.26Å; A648-T651 HydrophobicContact CB-CG2 4.09Å; T651-I653 VanDerWaalsContact C-N 3.33Å; T651-I653 PolarHBondContact O-N 2.63Å
652	N	94.4	Very high	95.6	Very high	84 Å²	84	36.4 Å²	36.4	45%	0.449	22%	0.223	S	C	.	.	S	Bend	trans	52.6	48.3	-175.5	-51.7	-43	0	0	0	112.4	P631 P633 G634 S635	P631-N652 HydrophobicContact CB-CB 4.36Å; P633-N652 WeakPolarHBondContact CA-OD1 3.44Å; G634-N652 PolarHBondContact N-OD1 3.13Å; S635-N652 PolarHBondContact O-N 3.27Å; S635-N652 WeakPolarHBondContact OG-CA 3.22Å
653	I	95.5	Very high	95.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-64.5	156.2	174.8	59.6	169.1	0	0	0	110.4	Y501 I534 L536 L632 S635 I637 F650 T651 Y658	Y501-I653 HydrophobicContact CD1-CG2 3.9Å; Y501-I653 HydrophobicContact CD2-CG2 4.46Å; Y501-I653 HydrophobicContact CE1-CB 4.05Å; Y501-I653 HydrophobicContact CE1-CG2 3.49Å; Y501-I653 VanDerWaalsContact CE1-CG2 3.49Å; Y501-I653 HydrophobicContact CE2-CB 3.99Å; Y501-I653 HydrophobicContact CE2-CG2 4.14Å; Y501-I653 HydrophobicContact CG-CG2 4.36Å; I534-I653 HydrophobicContact CD1-CD1 3.81Å; I534-I653 HydrophobicContact CG1-CD1 4.13Å; L536-I653 HydrophobicContact CD2-CD1 3.96Å; L632-I653 WeakPolarHBondContact CB-O 3.43Å; L632-I653 PolarHBondContact N-O 3.43Å; S635-I653 VanDerWaalsContact OG-CG1 3.23Å; S635-I653 WeakPolarHBondContact OG-CG1 3.39Å; S635-I653 PolarHBondContact OG-N 2.79Å; S635-I653 PolarHBondContact OG-O 3.15Å; I637-I653 HydrophobicContact CD1-CD1 4Å; I637-I653 HydrophobicContact CD1-CG2 4.27Å; I637-I653 HydrophobicContact CG1-CD1 4.1Å; F650-I653 HydrophobicContact CB-CG2 3.72Å; T651-I653 VanDerWaalsContact C-N 3.33Å; T651-I653 PolarHBondContact O-N 2.63Å; I653-Y658 HydrophobicContact CD1-CD2 4.42Å; I653-Y658 HydrophobicContact CD1-CE1 4.47Å; I653-Y658 HydrophobicContact CD1-CE2 3.85Å
654	Y	94	Very high	95.8	Very high	44 Å²	44	32.8 Å²	32.8	17%	0.173	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-57.8	142.8	179.2	-63.3	-65.4	0	0	0	112.3	K498 Y501 H512 L629 H630 P631 Y658	K498-Y654 HydrophobicContact CB-CD2 4.26Å; K498-Y654 HydrophobicContact CB-CE2 3.79Å; K498-Y654 HydrophobicContact CD-CE2 4.25Å; K498-Y654 HydrophobicContact CG-CE2 3.99Å; K498-Y654 WeakPolarHBondContact O-CD2 3.48Å; Y501-Y654 WeakPolarHBondContact OH-CD2 3.11Å; Y501-Y654 PolarHBondContact OH-N 2.86Å; Y501-Y654 VanDerWaalsContact OH-N 3.12Å; H512-Y654 AromaticContact CE1-CE2 3.96Å; H512-Y654 AromaticContact NE2-CE2 3.78Å; L629-Y654 HydrophobicContact CB-CD1 3.7Å; L629-Y654 HydrophobicContact CB-CE1 4.08Å; L629-Y654 HydrophobicContact CB-CG 3.95Å; L629-Y654 HydrophobicContact CD1-CD2 4.08Å; L629-Y654 HydrophobicContact CD1-CE2 4.41Å; L629-Y654 HydrophobicContact CD1-CG 4.26Å; L629-Y654 HydrophobicContact CD2-CG 4.41Å; L629-Y654 HydrophobicContact CG-CG 4.45Å; H630-Y654 CarbonylContact O-C 3.59Å; H630-Y654 WeakPolarHBondContact O-CA 3.17Å; P631-Y654 HydrophobicContact CG-CD1 4.45Å; P631-Y654 HydrophobicContact CG-CE1 4.38Å; Y654-Y658 VanDerWaalsContact O-CE2 3.26Å; Y654-Y658 WeakPolarHBondContact O-CE2 3.49Å; Y654-Y658 PolarHBondContact O-OH 3.31Å
655	A	91.1	Very high	95.8	Very high	9 Å²	9	29.6 Å²	29.6	7%	0.074	18%	0.182	C	C	.	.	S	Bend	trans	-61.9	150.5	172.3	0	0	0	0	0	111.6	Q485 F543 H630 L632	Q485-A655 PolarHBondContact NE2-O 2.77Å; F543-A655 HydrophobicContact CE1-CB 4.15Å; F543-A655 HydrophobicContact CE2-CB 4.4Å; F543-A655 HydrophobicContact CZ-CB 3.86Å; H630-A655 VanDerWaalsContact NE2-CB 3.35Å; H630-A655 WeakPolarHBondContact NE2-CB 3.44Å; H630-A655 PolarHBondContact O-N 3.07Å; L632-A655 HydrophobicContact CB-CB 4.19Å
656	G	88.8	Confident	95.7	Very high	33 Å²	33	31.3 Å²	31.3	34%	0.34	19%	0.185	S	C	.	.	S	Bend	trans	143.4	175	178.4	0	0	0	0	0	113	Y658	G656-Y658 WeakPolarHBondContact O-CD2 3.05Å
657	A	92.8	Very high	95.6	Very high	27 Å²	27	32.6 Å²	32.6	22%	0.223	20%	0.197	C	C	.	.			trans	-84.3	124.9	174.8	0	0	0	0	0	110.7	V459 Q485	V459-A657 CarbonylContact O-C 3.29Å; V459-A657 WeakPolarHBondContact O-CA 3.47Å; Q485-A657 WeakPolarHBondContact CA-O 3.42Å
658	Y	96.3	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.5	-179	-74.7	-86.6	0	0	0	112	S458 V459 W483 Q485 Y501 I534 L536 I653 Y654 G656	S458-Y658 CarbonylContact C-O 3.59Å; S458-Y658 WeakPolarHBondContact CA-O 3.28Å; S458-Y658 WeakPolarHBondContact CB-O 3.39Å; V459-Y658 PolarHBondContact N-O 3.15Å; V459-Y658 PolarHBondContact O-N 3.21Å; W483-Y658 HydrophobicContact CB-CD1 4Å; Q485-Y658 HydrophobicContact CG-CD1 3.84Å; Q485-Y658 HydrophobicContact CG-CD2 4.47Å; Q485-Y658 HydrophobicContact CG-CE1 3.52Å; Q485-Y658 HydrophobicContact CG-CE2 4.21Å; Q485-Y658 HydrophobicContact CG-CG 4.3Å; Q485-Y658 PolarHBondContact NE2-OH 2.81Å; Q485-Y658 VanDerWaalsContact NE2-OH 3.11Å; Y501-Y658 AromaticContact CD2-CE1 3.82Å; Y501-Y658 HydrophobicContact CD2-CE1 3.82Å; Y501-Y658 AromaticContact CE2-CE1 3.79Å; Y501-Y658 HydrophobicContact CE2-CE1 3.79Å; Y501-Y658 AromaticContact CE2-CZ 3.98Å; Y501-Y658 WeakPolarHBondContact CE2-OH 3.44Å; I534-Y658 HydrophobicContact CD1-CD1 4.39Å; I534-Y658 HydrophobicContact CD1-CD2 3.92Å; I534-Y658 HydrophobicContact CD1-CG 3.78Å; L536-Y658 HydrophobicContact CD1-CD2 4.19Å; L536-Y658 HydrophobicContact CD2-CD2 4.14Å; L536-Y658 HydrophobicContact CD2-CE2 4.26Å; I653-Y658 HydrophobicContact CD1-CD2 4.42Å; I653-Y658 HydrophobicContact CD1-CE1 4.47Å; I653-Y658 HydrophobicContact CD1-CE2 3.85Å; Y654-Y658 VanDerWaalsContact O-CE2 3.26Å; Y654-Y658 WeakPolarHBondContact O-CE2 3.49Å; Y654-Y658 PolarHBondContact O-OH 3.31Å; G656-Y658 WeakPolarHBondContact O-CD2 3.05Å
659	Y	97.9	Very high	95.7	Very high	39 Å²	39	28.8 Å²	28.8	15%	0.153	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.6	172.3	-58.1	-101.6	0	0	0	109.2	R454 A455 H457 S458 W483 S484 M486 A661	R454-Y659 HydrophobicContact CB-CG 4.46Å; A455-Y659 WeakPolarHBondContact O-CD1 3.19Å; H457-Y659 WeakPolarHBondContact O-CD1 3.23Å; S458-Y659 VanDerWaalsContact CB-CE1 3.48Å; S458-Y659 VanDerWaalsContact CB-CZ 3.48Å; W483-Y659 WeakPolarHBondContact CA-O 3.5Å; S484-Y659 PolarHBondContact N-O 3.08Å; S484-Y659 PolarHBondContact O-N 3.3Å; M486-Y659 HydrophobicContact CB-CE2 4.09Å; Y659-A661 PolarHBondContact O-N 3.08Å
660	P	98.4	Very high	95.8	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.019	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	128.8	161.2	-28	36	0	0	0	110.6	R454 A455 H457 F466 W483 F674 M691	R454-P660 CarbonylContact C-O 3.57Å; R454-P660 WeakPolarHBondContact CA-O 3.27Å; A455-P660 HydrophobicContact CB-CB 3.93Å; A455-P660 HydrophobicContact CB-CG 4.09Å; A455-P660 PolarHBondContact N-O 3.47Å; H457-P660 WeakPolarHBondContact O-CD 3.23Å; F466-P660 HydrophobicContact CD1-CB 3.82Å; F466-P660 HydrophobicContact CD1-CG 3.86Å; F466-P660 HydrophobicContact CD2-CB 4.45Å; F466-P660 HydrophobicContact CE1-CB 3.52Å; F466-P660 HydrophobicContact CE1-CG 3.95Å; F466-P660 HydrophobicContact CE2-CB 4.21Å; F466-P660 HydrophobicContact CG-CB 4.28Å; F466-P660 HydrophobicContact CG-CG 4.46Å; F466-P660 HydrophobicContact CZ-CB 3.74Å; W483-P660 HydrophobicContact CE3-CG 4.25Å; W483-P660 HydrophobicContact CH2-CG 4.05Å; W483-P660 HydrophobicContact CZ3-CG 3.71Å; P660-F674 HydrophobicContact CB-CE1 3.79Å; P660-F674 HydrophobicContact CG-CD1 4.46Å; P660-F674 HydrophobicContact CG-CE1 3.98Å; P660-M691 HydrophobicContact CG-CE 3.86Å; P660-M691 HydrophobicContact CG-CG 3.97Å; P660-M691 HydrophobicContact CG-SD 3.98Å
661	A	98.4	Very high	95.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.1	-170.7	0	0	0	0	0	111.9	M452 V453 R454 G482 Y659	M452-A661 HydrophobicContact SD-CB 4.12Å; V453-A661 WeakPolarHBondContact O-CA 3.22Å; R454-A661 HydrophobicContact CG-CB 4.18Å; G482-A661 PolarHBondContact N-O 2.82Å; G482-A661 PolarHBondContact O-N 2.8Å; Y659-A661 PolarHBondContact O-N 3.08Å
662	I	98.1	Very high	95.8	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.6	175.7	-71.1	168.4	0	0	0	108.9	V444 M452 V453 A468 I481 I664 V670 V672	V444-I662 HydrophobicContact CG1-CG2 4.25Å; M452-I662 VanDerWaalsContact CA-O 3.3Å; M452-I662 WeakPolarHBondContact CA-O 3.39Å; M452-I662 WeakPolarHBondContact CG-O 3.48Å; V453-I662 HydrophobicContact CG1-CB 4.34Å; V453-I662 PolarHBondContact N-O 2.96Å; V453-I662 PolarHBondContact O-N 3.44Å; A468-I662 HydrophobicContact CB-CD1 4.31Å; I481-I662 HydrophobicContact CG1-CG1 4.34Å; I481-I662 HydrophobicContact CG2-CG1 4.19Å; I662-I664 HydrophobicContact CG2-CD1 4.35Å; I662-I664 HydrophobicContact CG2-CG1 3.91Å; I662-V670 HydrophobicContact CD1-CB 4.29Å; I662-V670 HydrophobicContact CD1-CG1 3.7Å; I662-V670 HydrophobicContact CG2-CB 4.24Å; I662-V670 HydrophobicContact CG2-CG1 4.5Å; I662-V670 HydrophobicContact CG2-CG2 4.25Å; I662-V672 HydrophobicContact CD1-CG1 3.22Å
663	S	97.6	Very high	96	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.1	165.6	-51.4	0	0	0	0	112.4	C451 M452 T479 R480 C494	C451-S663 CarbonylContact O-C 3.51Å; C451-S663 WeakPolarHBondContact O-CA 3.36Å; C451-S663 WeakPolarHBondContact O-CB 3.26Å; M452-S663 VanDerWaalsContact CB-OG 3.31Å; M452-S663 WeakPolarHBondContact CB-OG 3.39Å; M452-S663 WeakPolarHBondContact CG-OG 3.38Å; T479-S663 CarbonylContact C-O 3.59Å; T479-S663 WeakPolarHBondContact CA-O 3.34Å; R480-S663 PolarHBondContact N-O 3.44Å; R480-S663 PolarHBondContact O-N 2.82Å; C494-S663 VanDerWaalsContact CB-OG 3.29Å; C494-S663 WeakPolarHBondContact CB-OG 3.44Å; C494-S663 PolarHBondContact N-OG 3.03Å
664	I	97.3	Very high	96.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.9	-175.9	-61.3	-170.4	0	0	0	109.1	L435 V444 Y450 C451 T479 I662 K666 A668 V670	L435-I664 HydrophobicContact CD2-CB 4.32Å; V444-I664 HydrophobicContact CG1-CD1 3.99Å; V444-I664 HydrophobicContact CG2-CD1 4.27Å; V444-I664 WeakPolarHBondContact O-CD1 3.16Å; Y450-I664 VanDerWaalsContact CA-O 3.31Å; Y450-I664 WeakPolarHBondContact CA-O 3.36Å; C451-I664 PolarHBondContact N-O 2.83Å; C451-I664 PolarHBondContact O-N 3.42Å; T479-I664 HydrophobicContact CG2-CG1 4.31Å; I662-I664 HydrophobicContact CG2-CD1 4.35Å; I662-I664 HydrophobicContact CG2-CG1 3.91Å; I664-K666 WeakPolarHBondContact CG2-O 3.5Å; I664-A668 HydrophobicContact CG2-CB 4.02Å; I664-A668 WeakPolarHBondContact CG2-O 3.42Å; I664-V670 HydrophobicContact CD1-CG2 4.16Å; I664-V670 HydrophobicContact CG1-CG2 4.42Å
665	Y	96.1	Very high	96.1	Very high	82 Å²	82	22 Å²	22	32%	0.322	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.2	169.4	-175.5	-114.1	0	0	0	110.1	G449 Y450 G476 S477 A478	G449-Y665 VanDerWaalsContact C-CD2 3.49Å; G449-Y665 VanDerWaalsContact O-CA 3.29Å; G449-Y665 WeakPolarHBondContact O-CA 3.36Å; G449-Y665 WeakPolarHBondContact O-CD2 3.41Å; Y450-Y665 HydrophobicContact CD1-CD2 4.48Å; Y450-Y665 AromaticContact CD2-CD2 3.59Å; Y450-Y665 HydrophobicContact CD2-CD2 3.59Å; Y450-Y665 HydrophobicContact CD2-CE2 4.34Å; Y450-Y665 HydrophobicContact CD2-CG 4.19Å; Y450-Y665 AromaticContact CE2-CD2 3.9Å; Y450-Y665 HydrophobicContact CE2-CD2 3.9Å; Y450-Y665 HydrophobicContact CE2-CG 4.1Å; Y450-Y665 AromaticContact CG-CD2 3.92Å; Y450-Y665 HydrophobicContact CG-CD2 3.92Å; Y450-Y665 HydrophobicContact CG-CG 4.44Å; G476-Y665 WeakPolarHBondContact O-CD1 3.49Å; G476-Y665 VanDerWaalsContact O-CE1 3.27Å; G476-Y665 WeakPolarHBondContact O-CE1 3.34Å; S477-Y665 WeakPolarHBondContact CA-O 3.4Å; S477-Y665 VanDerWaalsContact CB-O 3.3Å; S477-Y665 WeakPolarHBondContact CB-O 3.32Å; A478-Y665 HydrophobicContact CB-CD1 4.38Å; A478-Y665 PolarHBondContact N-O 3.33Å; A478-Y665 WeakPolarHBondContact O-CB 3.36Å; A478-Y665 PolarHBondContact O-N 2.83Å
666	K	93.8	Very high	96.2	Very high	82 Å²	82	25.1 Å²	25.1	36%	0.357	15%	0.15	S	C	.	.	S	Bend	trans	53.9	-147.8	-172.5	-50.6	179.8	-172.4	158.8	0	112.9	G446 E447 G449 G476 I664 A668	G446-K666 CarbonylContact C-O 3.49Å; G446-K666 WeakPolarHBondContact CA-O 3.35Å; E447-K666 PolarHBondContact N-O 3.23Å; G449-K666 PolarHBondContact O-N 3.25Å; G449-K666 VanDerWaalsContact O-N 3.12Å; G476-K666 WeakPolarHBondContact O-CD 3.39Å; G476-K666 WeakPolarHBondContact O-CE 3.42Å; G476-K666 PolarHBondContact O-NZ 2.92Å; I664-K666 WeakPolarHBondContact CG2-O 3.5Å; K666-A668 VanDerWaalsContact C-N 3.31Å; K666-A668 PolarHBondContact O-N 2.62Å; K666-A668 VanDerWaalsContact O-N 3.15Å
667	S	93.9	Very high	96.5	Very high	60 Å²	60	33.1 Å²	33.1	42%	0.42	17%	0.171	S	C	.	.	S	Bend	trans	-84.2	37.4	-169.4	-45.8	0	0	0	0	115.5	P474	P474-S667 WeakPolarHBondContact CD-O 3.38Å; P474-S667 WeakPolarHBondContact CG-O 3.27Å
668	A	96.2	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.			trans	-78.1	156.2	164.4	0	0	0	0	0	110.3	T445 G446 E472 T479 I664 K666	T445-A668 WeakPolarHBondContact CA-O 3.31Å; G446-A668 PolarHBondContact N-O 3.31Å; E472-A668 CarbonylContact O-C 3.5Å; E472-A668 WeakPolarHBondContact O-CA 3.1Å; E472-A668 WeakPolarHBondContact O-CB 3.49Å; T479-A668 HydrophobicContact CG2-CB 3.81Å; I664-A668 HydrophobicContact CG2-CB 4.02Å; I664-A668 WeakPolarHBondContact CG2-O 3.42Å; K666-A668 VanDerWaalsContact C-N 3.31Å; K666-A668 PolarHBondContact O-N 2.62Å; K666-A668 VanDerWaalsContact O-N 3.15Å
669	T	97	Very high	96.6	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.1	177.3	-57.4	0	0	0	0	109.7	S443 V444 T445 T471 E472	S443-T669 WeakPolarHBondContact OG-CG2 3.4Å; V444-T669 WeakPolarHBondContact O-CA 3.34Å; T445-T669 WeakPolarHBondContact CB-OG1 3.47Å; T445-T669 VanDerWaalsContact CG2-OG1 3.26Å; T445-T669 WeakPolarHBondContact CG2-OG1 3.45Å; T445-T669 VanDerWaalsContact OG1-CG2 3.28Å; T445-T669 WeakPolarHBondContact OG1-CG2 3.29Å; T445-T669 PolarHBondContact OG1-OG1 3.06Å; T471-T669 PolarHBondContact N-O 2.94Å; T471-T669 VanDerWaalsContact N-O 3.13Å; T471-T669 WeakPolarHBondContact OG1-CB 3.49Å; T471-T669 VanDerWaalsContact OG1-CG2 3.27Å; T471-T669 WeakPolarHBondContact OG1-CG2 3.4Å; T471-T669 PolarHBondContact OG1-O 2.89Å; E472-T669 PolarHBondContact N-O 3.41Å; E472-T669 PolarHBondContact O-N 3.43Å; E472-T669 VanDerWaalsContact OE2-CB 3.24Å; E472-T669 WeakPolarHBondContact OE2-CB 3.45Å; E472-T669 PolarHBondContact OE2-OG1 2.95Å
670	V	98.2	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.5	178.9	-174	0	0	0	0	109.4	S443 V444 A468 T469 I470 T479 I481 I662 I664	S443-V670 WeakPolarHBondContact CA-O 3.13Å; V444-V670 PolarHBondContact N-O 2.9Å; V444-V670 PolarHBondContact O-N 2.84Å; A468-V670 HydrophobicContact CB-CG1 3.95Å; T469-V670 WeakPolarHBondContact O-CA 3.31Å; I470-V670 HydrophobicContact CD1-CG1 4.26Å; I470-V670 HydrophobicContact CD1-CG2 4.01Å; T479-V670 HydrophobicContact CG2-CG2 3.65Å; I481-V670 HydrophobicContact CD1-CG1 4.09Å; I662-V670 HydrophobicContact CD1-CB 4.29Å; I662-V670 HydrophobicContact CD1-CG1 3.7Å; I662-V670 HydrophobicContact CG2-CB 4.24Å; I662-V670 HydrophobicContact CG2-CG1 4.5Å; I662-V670 HydrophobicContact CG2-CG2 4.25Å; I664-V670 HydrophobicContact CD1-CG2 4.16Å; I664-V670 HydrophobicContact CG1-CG2 4.42Å
671	S	97.9	Very high	96.3	Very high	37 Å²	37	44.2 Å²	44.2	26%	0.259	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.6	172.6	-168.8	0	0	0	0	110.1	L442 A468 T469	L442-S671 CarbonylContact O-C 3.58Å; L442-S671 VanDerWaalsContact O-CA 3.3Å; L442-S671 WeakPolarHBondContact O-CA 3.39Å; L442-S671 PolarHBondContact O-OG 3.33Å; A468-S671 CarbonylContact C-O 3.41Å; A468-S671 WeakPolarHBondContact CA-O 3.43Å; T469-S671 PolarHBondContact N-O 2.9Å; T469-S671 PolarHBondContact O-N 2.99Å
672	V	98	Very high	96.1	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.2	179.4	-75.7	0	0	0	0	112.4	L426 L442 A468 I662 F674	L426-V672 HydrophobicContact CD1-CG2 4Å; L426-V672 HydrophobicContact CD2-CG1 4.26Å; L426-V672 HydrophobicContact CD2-CG2 4.02Å; L426-V672 HydrophobicContact CG-CG2 3.77Å; L442-V672 HydrophobicContact CB-CG2 4.35Å; L442-V672 HydrophobicContact CD2-CG2 4.03Å; L442-V672 WeakPolarHBondContact O-CG2 3.24Å; L442-V672 PolarHBondContact O-N 3.23Å; A468-V672 HydrophobicContact CB-CG1 4.36Å; I662-V672 HydrophobicContact CD1-CG1 3.22Å; V672-F674 HydrophobicContact CB-CE1 4.44Å; V672-F674 HydrophobicContact CB-CE2 3.91Å; V672-F674 HydrophobicContact CB-CZ 3.84Å; V672-F674 HydrophobicContact CG1-CZ 4.21Å; V672-F674 HydrophobicContact CG2-CD2 4.34Å; V672-F674 HydrophobicContact CG2-CE2 3.46Å; V672-F674 VanDerWaalsContact CG2-CE2 3.46Å; V672-F674 HydrophobicContact CG2-CZ 3.69Å
673	N	97.9	Very high	95.7	Very high	45 Å²	45	50.2 Å²	50.2	24%	0.241	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	113	170.5	175.6	20.2	0	0	0	109	E467 G675 Y677	E467-N673 HydrophobicContact CB-CB 4.17Å; E467-N673 PolarHBondContact N-O 3.41Å; E467-N673 PolarHBondContact O-N 3.29Å; E467-N673 PolarHBondContact OE2-ND2 2.68Å; N673-G675 VanDerWaalsContact C-N 3.32Å; N673-G675 PolarHBondContact OD1-N 3.08Å; N673-Y677 PolarHBondContact ND2-O 3.34Å
674	F	98	Very high	95.3	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.035	28%	0.283	C	S	.	.			trans	-90.1	2.5	-179.4	-61.4	-68.9	0	0	0	113.2	V424 L426 L442 A455 F466 P660 V672 M691 S692	V424-F674 HydrophobicContact CB-CB 3.99Å; V424-F674 HydrophobicContact CB-CD1 4.43Å; V424-F674 HydrophobicContact CB-CD2 3.94Å; V424-F674 HydrophobicContact CB-CG 3.85Å; V424-F674 HydrophobicContact CG1-CB 4.19Å; V424-F674 HydrophobicContact CG1-CD1 3.7Å; V424-F674 HydrophobicContact CG1-CD2 3.75Å; V424-F674 HydrophobicContact CG1-CE1 3.96Å; V424-F674 HydrophobicContact CG1-CE2 3.98Å; V424-F674 HydrophobicContact CG1-CG 3.59Å; V424-F674 HydrophobicContact CG1-CZ 4.09Å; V424-F674 WeakPolarHBondContact O-CD2 3.47Å; L426-F674 HydrophobicContact CD2-CZ 4.32Å; L442-F674 HydrophobicContact CD2-CD2 4Å; L442-F674 HydrophobicContact CD2-CE2 3.99Å; A455-F674 HydrophobicContact CB-CE1 3.97Å; A455-F674 HydrophobicContact CB-CZ 3.76Å; F466-F674 HydrophobicContact CB-CD1 3.78Å; F466-F674 HydrophobicContact CB-CE1 4.32Å; F466-F674 HydrophobicContact CD2-CE1 4.32Å; F466-F674 HydrophobicContact CG-CD1 4.28Å; F466-F674 HydrophobicContact CG-CE1 4.33Å; P660-F674 HydrophobicContact CB-CE1 3.79Å; P660-F674 HydrophobicContact CG-CD1 4.46Å; P660-F674 HydrophobicContact CG-CE1 3.98Å; V672-F674 HydrophobicContact CB-CE1 4.44Å; V672-F674 HydrophobicContact CB-CE2 3.91Å; V672-F674 HydrophobicContact CB-CZ 3.84Å; V672-F674 HydrophobicContact CG1-CZ 4.21Å; V672-F674 HydrophobicContact CG2-CD2 4.34Å; V672-F674 HydrophobicContact CG2-CE2 3.46Å; V672-F674 VanDerWaalsContact CG2-CE2 3.46Å; V672-F674 HydrophobicContact CG2-CZ 3.69Å; F674-M691 HydrophobicContact CB-CB 3.85Å; F674-M691 HydrophobicContact CD1-CB 3.84Å; F674-M691 HydrophobicContact CD1-CG 4.26Å; F674-M691 HydrophobicContact CG-CB 4.28Å; F674-M691 PolarHBondContact O-N 2.64Å; F674-S692 PolarHBondContact O-N 2.95Å
675	G	94.2	Very high	94.9	Very high	18 Å²	18	56.1 Å²	56.1	19%	0.186	29%	0.294	C	S	.	.	S	Bend	trans	92.6	-177.6	-173.9	0	0	0	0	0	113.2	N673 F678 S692	N673-G675 VanDerWaalsContact C-N 3.32Å; N673-G675 PolarHBondContact OD1-N 3.08Å; G675-F678 VanDerWaalsContact N-CE1 3.33Å; G675-S692 VanDerWaalsContact C-OG 3.3Å; G675-S692 WeakPolarHBondContact O-CB 3.34Å
676	P	92.9	Very high	94.5	Very high	75 Å²	75	58.1 Å²	58.1	49%	0.487	32%	0.315	S	S	.	.	S	Bend	cis	-77.5	-18	3.3	31.2	-35.8	0	0	0	113.8	F678	P676-F678 PolarHBondContact O-N 3.45Å
677	Y	95.7	Very high	94.5	Very high	202 Å²	202	60.1 Å²	60.1	79%	0.792	33%	0.329	S	S	*	.	S	Bend	trans	-89	88.1	-174.7	-53.5	-66.3	0	0	0	111.9	N673	N673-Y677 PolarHBondContact ND2-O 3.34Å
678	F	96.4	Very high	94.5	Very high	30 Å²	30	59.7 Å²	59.7	13%	0.132	32%	0.318	C	S	.	.			trans	-81.3	154.1	174.2	-59.3	-66.6	0	0	0	112.9	Y465 E467 G675 P676 P681 W688 P690	Y465-F678 HydrophobicContact CD1-CD1 4.04Å; Y465-F678 HydrophobicContact CD1-CD2 4.15Å; Y465-F678 AromaticContact CD1-CE1 3.75Å; Y465-F678 HydrophobicContact CD1-CE1 3.75Å; Y465-F678 AromaticContact CD1-CE2 3.89Å; Y465-F678 HydrophobicContact CD1-CE2 3.89Å; Y465-F678 HydrophobicContact CD1-CG 4.21Å; Y465-F678 AromaticContact CD1-CZ 3.67Å; Y465-F678 HydrophobicContact CD1-CZ 3.67Å; Y465-F678 AromaticContact CE1-CD1 3.84Å; Y465-F678 HydrophobicContact CE1-CD1 3.84Å; Y465-F678 HydrophobicContact CE1-CD2 4.29Å; Y465-F678 HydrophobicContact CE1-CE1 4.02Å; Y465-F678 HydrophobicContact CE1-CE2 4.45Å; Y465-F678 AromaticContact CE1-CG 3.97Å; Y465-F678 HydrophobicContact CE1-CG 3.97Å; Y465-F678 HydrophobicContact CE1-CZ 4.32Å; E467-F678 HydrophobicContact CB-CD1 4.35Å; E467-F678 HydrophobicContact CG-CB 4.46Å; E467-F678 HydrophobicContact CG-CD1 3.67Å; E467-F678 HydrophobicContact CG-CE1 4.41Å; E467-F678 HydrophobicContact CG-CG 4.43Å; E467-F678 WeakPolarHBondContact OE2-CA 3.44Å; G675-F678 VanDerWaalsContact N-CE1 3.33Å; P676-F678 PolarHBondContact O-N 3.45Å; F678-P681 HydrophobicContact CB-CB 4.22Å; F678-P681 HydrophobicContact CD2-CB 4.37Å; F678-W688 AromaticContact CD2-CH2 3.89Å; F678-W688 HydrophobicContact CD2-CH2 3.89Å; F678-W688 HydrophobicContact CD2-CZ3 4.24Å; F678-W688 AromaticContact CE2-CH2 3.68Å; F678-W688 HydrophobicContact CE2-CH2 3.68Å; F678-W688 AromaticContact CE2-CZ3 3.57Å; F678-W688 HydrophobicContact CE2-CZ3 3.57Å; F678-W688 HydrophobicContact CZ-CZ3 4.3Å; F678-P690 HydrophobicContact CE2-CB 3.71Å; F678-P690 HydrophobicContact CZ-CB 3.62Å
679	K	95.3	Very high	94.5	Very high	124 Å²	124	64 Å²	64	54%	0.539	34%	0.339	S	S	.	.	S	Bend	trans	-82	-30.7	169.3	179.7	166.9	145.5	-160.1	0	111.6	E467 I529	E467-K679 PolarHBondContact OE1-N 2.83Å; E467-K679 PolarHBondContact OE2-N 2.85Å; I529-K679 HydrophobicContact CD1-CB 4.03Å; I529-K679 HydrophobicContact CD1-CD 3.49Å; I529-K679 VanDerWaalsContact CD1-CD 3.49Å; I529-K679 HydrophobicContact CD1-CG 4.08Å
680	Y	95.8	Very high	94.5	Very high	77 Å²	77	64.8 Å²	64.8	30%	0.302	34%	0.344	S	S	.	.	S	Bend	trans	-137.3	78.1	176.5	-57.8	-64.1	0	0	0	110.6	Y465 E467 I529 N642	Y465-Y680 PolarHBondContact OH-O 2.98Å; E467-Y680 WeakPolarHBondContact OE1-CA 3.36Å; E467-Y680 PolarHBondContact OE1-N 2.87Å; I529-Y680 HydrophobicContact CB-CD2 4.02Å; I529-Y680 HydrophobicContact CB-CE2 4.16Å; I529-Y680 HydrophobicContact CD1-CD2 4.18Å; I529-Y680 HydrophobicContact CD1-CE2 3.98Å; I529-Y680 HydrophobicContact CG1-CE2 4.27Å; I529-Y680 HydrophobicContact CG2-CD2 4.24Å; N642-Y680 HydrophobicContact CB-CD2 4.37Å; N642-Y680 HydrophobicContact CB-CE2 3.91Å
681	P	94.5	Very high	94.5	Very high	71 Å²	71	64.8 Å²	64.8	46%	0.461	34%	0.344	S	S	.	.			trans	-64.9	141.7	172.6	27.7	-33.9	0	0	0	111.3	F678 S683 W688	F678-P681 HydrophobicContact CB-CB 4.22Å; F678-P681 HydrophobicContact CD2-CB 4.37Å; P681-S683 PolarHBondContact O-N 3.44Å; P681-W688 HydrophobicContact CB-CH2 4.29Å; P681-W688 HydrophobicContact CB-CZ2 4.21Å
682	P	93.1	Very high	94.4	Very high	11 Å²	11	64.5 Å²	64.5	7%	0.071	34%	0.342	C	S	.	.			trans	-57.7	133.3	173.6	-27.1	34.9	0	0	0	112.6	Y465 M533 Y640 W688	Y465-P682 HydrophobicContact CD1-CG 4.05Å; Y465-P682 HydrophobicContact CD2-CG 3.59Å; Y465-P682 VanDerWaalsContact CE1-CD 3.44Å; Y465-P682 HydrophobicContact CE1-CG 3.99Å; Y465-P682 HydrophobicContact CE2-CG 3.51Å; Y465-P682 HydrophobicContact CG-CG 3.84Å; M533-P682 HydrophobicContact CE-CB 3.74Å; M533-P682 HydrophobicContact CE-CG 3.72Å; Y640-P682 HydrophobicContact CE1-CB 4.01Å; Y640-P682 HydrophobicContact CE1-CG 4.34Å; Y640-P682 HydrophobicContact CE2-CG 4.38Å; P682-W688 HydrophobicContact CB-CZ2 4.44Å; P682-W688 HydrophobicContact CG-CZ2 4.3Å
683	S	90.3	Very high	94.3	Very high	117 Å²	117	66.5 Å²	66.5	82%	0.818	36%	0.356	S	S	*	.	S	Bend	trans	-118.1	-3.5	179.5	59.6	0	0	0	0	113.7	P681	P681-S683 PolarHBondContact O-N 3.44Å
684	D	89.7	Confident	94.2	Very high	82 Å²	82	64.9 Å²	64.9	44%	0.439	35%	0.346	S	S	.	.	S	Bend	trans	-90.6	-13	178.4	63.7	-31.8	0	0	0	113.4	Y640 C645	Y640-D684 VanDerWaalsContact CE1-OD1 3.24Å; Y640-D684 WeakPolarHBondContact CE1-OD1 3.02Å; Y640-D684 VanDerWaalsContact OH-CG 3.28Å; Y640-D684 PolarHBondContact OH-OD1 2.93Å; Y640-D684 PolarHBondContact OH-OD2 2.85Å; Y640-D684 VanDerWaalsContact OH-OD2 3.11Å; C645-D684 WeakPolarHBondContact CB-OD2 3.43Å; C645-D684 PolarHBondContact SG-OD2 2.86Å
685	I	88.7	Confident	94.1	Very high	44 Å²	44	65.7 Å²	65.7	23%	0.226	35%	0.352	C	S	.	.			trans	-137.2	134.4	179.1	-63.1	174.2	0	0	0	108	M533 W688	M533-I685 HydrophobicContact CE-CB 4.4Å; M533-I685 HydrophobicContact CE-CD1 4.21Å; M533-I685 HydrophobicContact SD-CD1 3.7Å; I685-W688 PolarHBondContact O-NE1 3.26Å
686	T	87.9	Confident	94.1	Very high	124 Å²	124	71 Å²	71	76%	0.761	38%	0.375	S	S	*	.	S	Bend	trans	-87.4	-35.2	174.5	44.9	0	0	0	0	112.8	W688	T686-W688 PolarHBondContact O-N 3.17Å; T686-W688 VanDerWaalsContact O-N 3.1Å
687	D	92.2	Very high	94	Very high	123 Å²	123	69.2 Å²	69.2	66%	0.658	36%	0.364	S	S	*	.	S	Bend	trans	-93.5	68.9	-163.1	-59.1	6.5	0	0	0	111.1	T463	T463-D687 WeakPolarHBondContact CB-O 3.25Å; T463-D687 PolarHBondContact OG1-O 2.71Å
688	W	95.3	Very high	93.9	Very high	52 Å²	52	60.2 Å²	60.2	20%	0.197	33%	0.332	C	S	.	.			trans	-146.5	152.8	178.7	67	-88.2	0	0	0	113.6	T463 Y465 M533 F678 P681 P682 I685 T686	T463-W688 HydrophobicContact CG2-CB 3.72Å; T463-W688 WeakPolarHBondContact O-CA 3.43Å; Y465-W688 HydrophobicContact CD1-CH2 4.37Å; Y465-W688 HydrophobicContact CD1-CZ3 4.02Å; Y465-W688 HydrophobicContact CG-CE3 4.35Å; Y465-W688 HydrophobicContact CG-CZ3 4.28Å; M533-W688 HydrophobicContact CE-CB 4.35Å; M533-W688 HydrophobicContact CE-CG 4.17Å; F678-W688 AromaticContact CD2-CH2 3.89Å; F678-W688 HydrophobicContact CD2-CH2 3.89Å; F678-W688 HydrophobicContact CD2-CZ3 4.24Å; F678-W688 AromaticContact CE2-CH2 3.68Å; F678-W688 HydrophobicContact CE2-CH2 3.68Å; F678-W688 AromaticContact CE2-CZ3 3.57Å; F678-W688 HydrophobicContact CE2-CZ3 3.57Å; F678-W688 HydrophobicContact CZ-CZ3 4.3Å; P681-W688 HydrophobicContact CB-CH2 4.29Å; P681-W688 HydrophobicContact CB-CZ2 4.21Å; P682-W688 HydrophobicContact CB-CZ2 4.44Å; P682-W688 HydrophobicContact CG-CZ2 4.3Å; I685-W688 PolarHBondContact O-NE1 3.26Å; T686-W688 PolarHBondContact O-N 3.17Å; T686-W688 VanDerWaalsContact O-N 3.1Å
689	E	96.2	Very high	93.7	Very high	91 Å²	91	60.5 Å²	60.5	43%	0.425	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.6	176	-72.6	-167.5	-161.7	0	0	112.7	T463 W464 Y465 S693	T463-E689 PolarHBondContact O-N 3.11Å; W464-E689 WeakPolarHBondContact CA-O 3.35Å; W464-E689 HydrophobicContact CD2-CB 4.39Å; W464-E689 HydrophobicContact CE3-CB 3.75Å; W464-E689 HydrophobicContact CH2-CB 4.19Å; W464-E689 VanDerWaalsContact CH2-OE2 3.25Å; W464-E689 WeakPolarHBondContact CH2-OE2 3.4Å; W464-E689 HydrophobicContact CZ3-CB 3.63Å; W464-E689 WeakPolarHBondContact CZ3-OE2 3.16Å; Y465-E689 PolarHBondContact N-O 2.68Å; E689-S693 WeakPolarHBondContact OE2-CB 3.35Å
690	P	97.3	Very high	93.7	Very high	22 Å²	22	58.8 Å²	58.8	14%	0.143	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.6	166.8	29.1	-33.8	0	0	0	110.1	W464 F678 S692 S693	W464-P690 WeakPolarHBondContact CZ3-O 3.23Å; F678-P690 HydrophobicContact CE2-CB 3.71Å; F678-P690 HydrophobicContact CZ-CB 3.62Å; P690-S692 WeakPolarHBondContact CB-OG 3.35Å; P690-S692 PolarHBondContact O-N 2.82Å; P690-S693 WeakPolarHBondContact CG-OG 3.45Å; P690-S693 WeakPolarHBondContact O-CB 3.24Å; P690-S693 PolarHBondContact O-N 2.86Å
691	M	97.3	Very high	93.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-51.3	-30.2	171.3	-84.6	-60.4	-51.2	0	0	112.9	V424 H457 V459 W464 Y465 F466 W483 P660 F674 S693 R694	V424-M691 HydrophobicContact CG1-CE 4.29Å; V424-M691 VanDerWaalsContact CG2-O 3.22Å; V424-M691 WeakPolarHBondContact CG2-O 3.37Å; H457-M691 HydrophobicContact CB-CE 4.17Å; V459-M691 HydrophobicContact CG1-CE 4.1Å; V459-M691 HydrophobicContact CG1-SD 3.61Å; W464-M691 HydrophobicContact CB-SD 4.16Å; W464-M691 HydrophobicContact CE3-SD 4.41Å; Y465-M691 PolarHBondContact O-N 2.86Å; F466-M691 HydrophobicContact CB-CB 4.39Å; F466-M691 HydrophobicContact CB-CG 4.04Å; F466-M691 HydrophobicContact CD1-CG 4.39Å; W483-M691 HydrophobicContact CH2-CG 4.18Å; W483-M691 HydrophobicContact CH2-SD 3.71Å; W483-M691 HydrophobicContact CZ3-SD 3.99Å; P660-M691 HydrophobicContact CG-CE 3.86Å; P660-M691 HydrophobicContact CG-CG 3.97Å; P660-M691 HydrophobicContact CG-SD 3.98Å; F674-M691 HydrophobicContact CB-CB 3.85Å; F674-M691 HydrophobicContact CD1-CB 3.84Å; F674-M691 HydrophobicContact CD1-CG 4.26Å; F674-M691 HydrophobicContact CG-CB 4.28Å; F674-M691 PolarHBondContact O-N 2.64Å; M691-S693 VanDerWaalsContact C-N 3.25Å; M691-S693 PolarHBondContact O-N 3.06Å; M691-R694 HydrophobicContact CE-CB 4.28Å; M691-R694 HydrophobicContact CE-CG 4.43Å; M691-R694 WeakPolarHBondContact O-CB 3.32Å; M691-R694 PolarHBondContact O-N 2.81Å
692	S	96.7	Very high	93.4	Very high	31 Å²	31	54.4 Å²	54.4	22%	0.217	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-57.3	-31.1	174.6	63.1	0	0	0	0	114.5	F674 G675 P690 R694 V695	F674-S692 PolarHBondContact O-N 2.95Å; G675-S692 VanDerWaalsContact C-OG 3.3Å; G675-S692 WeakPolarHBondContact O-CB 3.34Å; P690-S692 WeakPolarHBondContact CB-OG 3.35Å; P690-S692 PolarHBondContact O-N 2.82Å; S692-R694 PolarHBondContact O-N 3.4Å; S692-V695 WeakPolarHBondContact O-CG2 3.31Å
693	S	95.8	Very high	93.4	Very high	49 Å²	49	57.6 Å²	57.6	34%	0.343	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-67.3	-25.2	176.4	-67.8	0	0	0	0	112.5	E689 P690 M691 V695 I696	E689-S693 WeakPolarHBondContact OE2-CB 3.35Å; P690-S693 WeakPolarHBondContact CG-OG 3.45Å; P690-S693 WeakPolarHBondContact O-CB 3.24Å; P690-S693 PolarHBondContact O-N 2.86Å; M691-S693 VanDerWaalsContact C-N 3.25Å; M691-S693 PolarHBondContact O-N 3.06Å; S693-V695 PolarHBondContact O-N 2.96Å; S693-V695 VanDerWaalsContact O-N 3.09Å; S693-I696 PolarHBondContact O-N 3.42Å
694	R	95.3	Very high	93.6	Very high	12 Å²	12	55 Å²	55	5%	0.045	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-21.8	-176.4	-171.4	56.4	-173.2	137.4	-2.4	113.7	H457 S458 V459 W464 M691 S692 I696 S697 A698 E701	H457-R694 HydrophobicContact CB-CG 4.21Å; S458-R694 PolarHBondContact O-NE 2.78Å; V459-R694 HydrophobicContact CG1-CG 4.13Å; W464-R694 HydrophobicContact CE3-CB 4.33Å; W464-R694 HydrophobicContact CH2-CB 3.99Å; W464-R694 HydrophobicContact CH2-CG 4.46Å; W464-R694 HydrophobicContact CZ3-CB 3.73Å; M691-R694 HydrophobicContact CE-CB 4.28Å; M691-R694 HydrophobicContact CE-CG 4.43Å; M691-R694 WeakPolarHBondContact O-CB 3.32Å; M691-R694 PolarHBondContact O-N 2.81Å; S692-R694 PolarHBondContact O-N 3.4Å; R694-I696 VanDerWaalsContact C-N 3.33Å; R694-I696 PolarHBondContact O-N 3.14Å; R694-S697 PolarHBondContact NH1-OG 2.86Å; R694-S697 PolarHBondContact O-OG 2.95Å; R694-A698 WeakPolarHBondContact O-CB 3.24Å; R694-A698 PolarHBondContact O-N 2.84Å; R694-E701 IonicContact CZ-OE1 2.67Å; R694-E701 IonicContact CZ-OE2 3.49Å; R694-E701 VanDerWaalsContact NH1-CD 3.27Å; R694-E701 IonicContact NH1-OE1 3.19Å; R694-E701 PolarHBondContact NH1-OE1 2.86Å; R694-E701 IonicContact NH1-OE2 2.71Å; R694-E701 PolarHBondContact NH1-OE2 3.3Å; R694-E701 IonicContact NH2-OE1 3.64Å; R694-E701 IonicContact NH2-OE2 3.56Å; R694-E701 PolarHBondContact NH2-OE2 3.12Å
695	V	95.6	Very high	93.7	Very high	25 Å²	25	51.3 Å²	51.3	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-45.2	179.3	-179.3	0	0	0	0	111.7	V424 S692 S693 A699	V424-V695 HydrophobicContact CG2-CG2 3.72Å; S692-V695 WeakPolarHBondContact O-CG2 3.31Å; S693-V695 PolarHBondContact O-N 2.96Å; S693-V695 VanDerWaalsContact O-N 3.09Å; V695-A699 VanDerWaalsContact O-CB 3.29Å; V695-A699 WeakPolarHBondContact O-CB 3.43Å; V695-A699 PolarHBondContact O-N 3.42Å; V695-A699 VanDerWaalsContact O-N 3.13Å
696	I	93.6	Very high	93.9	Very high	129 Å²	129	49.7 Å²	49.7	66%	0.662	29%	0.286	S	S	*	.	H	α-helix	trans	-74.2	-46.8	-174.3	-58.9	177.6	0	0	0	110.5	S693 R694 A699 V700	S693-I696 PolarHBondContact O-N 3.42Å; R694-I696 VanDerWaalsContact C-N 3.33Å; R694-I696 PolarHBondContact O-N 3.14Å; I696-A699 PolarHBondContact O-N 3.42Å; I696-V700 VanDerWaalsContact O-CG2 3.28Å; I696-V700 WeakPolarHBondContact O-CG2 3.45Å; I696-V700 PolarHBondContact O-N 2.82Å
697	S	92.3	Very high	94.1	Very high	37 Å²	37	49.1 Å²	49.1	26%	0.259	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-42.2	179.7	48.7	0	0	0	0	112.1	R694 A699 V700 E701	R694-S697 PolarHBondContact NH1-OG 2.86Å; R694-S697 PolarHBondContact O-OG 2.95Å; S697-A699 VanDerWaalsContact C-N 3.34Å; S697-A699 PolarHBondContact O-N 3.37Å; S697-V700 PolarHBondContact O-N 3.36Å; S697-E701 WeakPolarHBondContact O-CB 3.39Å; S697-E701 VanDerWaalsContact O-CG 3.27Å; S697-E701 WeakPolarHBondContact O-CG 2.99Å; S697-E701 PolarHBondContact O-N 3.28Å
698	A	92.5	Very high	94.1	Very high	14 Å²	14	46.4 Å²	46.4	12%	0.116	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-38.3	175.3	0	0	0	0	0	112.5	R694 Q702	R694-A698 WeakPolarHBondContact O-CB 3.24Å; R694-A698 PolarHBondContact O-N 2.84Å; A698-Q702 WeakPolarHBondContact O-CB 3.29Å; A698-Q702 PolarHBondContact O-N 3.13Å
699	A	93.2	Very high	93.9	Very high	36 Å²	36	44.2 Å²	44.2	30%	0.298	25%	0.254	S	S	.	.	H	α-helix	trans	-66.2	-40.3	175.8	0	0	0	0	0	112.8	L420 V695 I696 S697 T703	L420-A699 HydrophobicContact CD1-CB 4.19Å; V695-A699 VanDerWaalsContact O-CB 3.29Å; V695-A699 WeakPolarHBondContact O-CB 3.43Å; V695-A699 PolarHBondContact O-N 3.42Å; V695-A699 VanDerWaalsContact O-N 3.13Å; I696-A699 PolarHBondContact O-N 3.42Å; S697-A699 VanDerWaalsContact C-N 3.34Å; S697-A699 PolarHBondContact O-N 3.37Å; A699-T703 VanDerWaalsContact O-CB 3.31Å; A699-T703 WeakPolarHBondContact O-CB 3.18Å; A699-T703 PolarHBondContact O-N 2.86Å; A699-T703 VanDerWaalsContact O-N 3.07Å; A699-T703 PolarHBondContact O-OG1 2.87Å
700	V	93.8	Very high	93.7	Very high	87 Å²	87	41.1 Å²	41.1	53%	0.527	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-49.6	174.7	173.3	0	0	0	0	110.5	I696 S697 Q702 T703 V704	I696-V700 VanDerWaalsContact O-CG2 3.28Å; I696-V700 WeakPolarHBondContact O-CG2 3.45Å; I696-V700 PolarHBondContact O-N 2.82Å; S697-V700 PolarHBondContact O-N 3.36Å; V700-Q702 PolarHBondContact O-N 2.93Å; V700-T703 PolarHBondContact O-N 2.81Å; V700-V704 HydrophobicContact CG1-CG2 4.43Å; V700-V704 WeakPolarHBondContact O-CG2 3.4Å; V700-V704 PolarHBondContact O-N 2.91Å
701	E	92.6	Very high	93.5	Very high	44 Å²	44	45.5 Å²	45.5	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-46.4	179.9	-74	160.1	-143.2	0	0	112.6	L598 P599 R694 S697 V704 A705	L598-E701 HydrophobicContact CD2-CB 4.29Å; L598-E701 HydrophobicContact CD2-CG 4.46Å; P599-E701 HydrophobicContact CG-CB 4.31Å; R694-E701 IonicContact CZ-OE1 2.67Å; R694-E701 IonicContact CZ-OE2 3.49Å; R694-E701 VanDerWaalsContact NH1-CD 3.27Å; R694-E701 IonicContact NH1-OE1 3.19Å; R694-E701 PolarHBondContact NH1-OE1 2.86Å; R694-E701 IonicContact NH1-OE2 2.71Å; R694-E701 PolarHBondContact NH1-OE2 3.3Å; R694-E701 IonicContact NH2-OE1 3.64Å; R694-E701 IonicContact NH2-OE2 3.56Å; R694-E701 PolarHBondContact NH2-OE2 3.12Å; S697-E701 WeakPolarHBondContact O-CB 3.39Å; S697-E701 VanDerWaalsContact O-CG 3.27Å; S697-E701 WeakPolarHBondContact O-CG 2.99Å; S697-E701 PolarHBondContact O-N 3.28Å; E701-V704 PolarHBondContact O-N 2.95Å; E701-A705 WeakPolarHBondContact O-CB 3.37Å; E701-A705 PolarHBondContact O-N 3.15Å
702	Q	91.6	Very high	93.2	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-40.8	176.9	-169.4	70.3	54.2	0	0	111.7	L420 P599 E600 A698 V700 V704 A705 D706	L420-Q702 HydrophobicContact CD1-CB 3.75Å; L420-Q702 HydrophobicContact CD1-CG 4.11Å; P599-Q702 HydrophobicContact CG-CB 4.21Å; E600-Q702 PolarHBondContact O-NE2 3.13Å; E600-Q702 VanDerWaalsContact O-NE2 3.11Å; A698-Q702 WeakPolarHBondContact O-CB 3.29Å; A698-Q702 PolarHBondContact O-N 3.13Å; V700-Q702 PolarHBondContact O-N 2.93Å; Q702-V704 PolarHBondContact O-N 3.28Å; Q702-A705 PolarHBondContact O-N 2.94Å; Q702-D706 WeakPolarHBondContact O-CB 3.1Å; Q702-D706 PolarHBondContact O-N 3.23Å
703	T	93.4	Very high	92.8	Very high	77 Å²	77	51.8 Å²	51.8	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-41.6	177.3	-57.7	0	0	0	0	111.3	A699 V700 D706 M707	A699-T703 VanDerWaalsContact O-CB 3.31Å; A699-T703 WeakPolarHBondContact O-CB 3.18Å; A699-T703 PolarHBondContact O-N 2.86Å; A699-T703 VanDerWaalsContact O-N 3.07Å; A699-T703 PolarHBondContact O-OG1 2.87Å; V700-T703 PolarHBondContact O-N 2.81Å; T703-D706 PolarHBondContact O-N 3.46Å; T703-M707 HydrophobicContact CG2-SD 4.29Å; T703-M707 WeakPolarHBondContact O-CB 3.43Å; T703-M707 VanDerWaalsContact O-CG 3.28Å; T703-M707 WeakPolarHBondContact O-CG 3.45Å; T703-M707 PolarHBondContact O-N 2.74Å
704	V	93.8	Very high	92.4	Very high	62 Å²	62	55 Å²	55	38%	0.376	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-43.2	175.8	170.8	0	0	0	0	111.1	L598 V700 E701 Q702 M707 I708	L598-V704 HydrophobicContact CD1-CG1 3.98Å; L598-V704 HydrophobicContact CD2-CB 4.29Å; L598-V704 HydrophobicContact CD2-CG1 4.05Å; V700-V704 HydrophobicContact CG1-CG2 4.43Å; V700-V704 WeakPolarHBondContact O-CG2 3.4Å; V700-V704 PolarHBondContact O-N 2.91Å; E701-V704 PolarHBondContact O-N 2.95Å; Q702-V704 PolarHBondContact O-N 3.28Å; V704-M707 PolarHBondContact O-N 3.18Å; V704-I708 HydrophobicContact CG1-CD1 3.85Å; V704-I708 WeakPolarHBondContact O-CG1 3.44Å; V704-I708 PolarHBondContact O-N 3.48Å
705	A	92.1	Very high	92	Very high	6 Å²	6	55 Å²	55	5%	0.05	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-46.1	175.2	0	0	0	0	0	111.8	L598 P599 T601 E701 Q702 I708 C709	L598-A705 HydrophobicContact CB-CB 4.25Å; P599-A705 HydrophobicContact CG-CB 4.35Å; P599-A705 WeakPolarHBondContact O-CB 3.3Å; T601-A705 HydrophobicContact CG2-CB 3.76Å; T601-A705 VanDerWaalsContact CG2-O 3.29Å; T601-A705 WeakPolarHBondContact CG2-O 3.49Å; E701-A705 WeakPolarHBondContact O-CB 3.37Å; E701-A705 PolarHBondContact O-N 3.15Å; Q702-A705 PolarHBondContact O-N 2.94Å; A705-I708 PolarHBondContact O-N 3Å; A705-C709 VanDerWaalsContact O-CB 3.31Å; A705-C709 WeakPolarHBondContact O-CB 3.47Å; A705-C709 PolarHBondContact O-N 3.5Å
706	D	92.9	Very high	91.7	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-44.3	176.8	-76.9	-28.1	0	0	0	111.3	R417 T601 K603 Q702 T703 C709 L710	R417-D706 WeakPolarHBondContact CB-OD2 3.36Å; T601-D706 VanDerWaalsContact CB-OD1 3.24Å; T601-D706 WeakPolarHBondContact CB-OD1 3.39Å; T601-D706 VanDerWaalsContact CG2-OD1 3.3Å; T601-D706 WeakPolarHBondContact CG2-OD1 3.22Å; K603-D706 WeakPolarHBondContact CE-OD1 3.4Å; Q702-D706 WeakPolarHBondContact O-CB 3.1Å; Q702-D706 PolarHBondContact O-N 3.23Å; T703-D706 PolarHBondContact O-N 3.46Å; D706-C709 CarbonylContact O-C 3.54Å; D706-C709 PolarHBondContact O-N 3.07Å; D706-L710 VanDerWaalsContact O-CG 3.29Å; D706-L710 WeakPolarHBondContact O-CG 3.42Å; D706-L710 PolarHBondContact O-N 3.39Å
707	M	92.6	Very high	91.5	Very high	113 Å²	113	51.1 Å²	51.1	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-60.4	-45.4	175.7	-77.1	179.4	66.2	0	0	112.7	T703 V704 C709 L710 V711	T703-M707 HydrophobicContact CG2-SD 4.29Å; T703-M707 WeakPolarHBondContact O-CB 3.43Å; T703-M707 VanDerWaalsContact O-CG 3.28Å; T703-M707 WeakPolarHBondContact O-CG 3.45Å; T703-M707 PolarHBondContact O-N 2.74Å; V704-M707 PolarHBondContact O-N 3.18Å; M707-C709 VanDerWaalsContact C-N 3.34Å; M707-C709 PolarHBondContact O-N 3.42Å; M707-L710 PolarHBondContact O-N 2.88Å; M707-V711 WeakPolarHBondContact O-CG2 3.27Å; M707-V711 PolarHBondContact O-N 3.01Å
708	I	92.7	Very high	91.4	Very high	66 Å²	66	53.7 Å²	53.7	34%	0.338	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-47	175.6	-69.5	165	0	0	0	109.8	L598 V704 A705 L710 V711 E712	L598-I708 HydrophobicContact CD1-CD1 3.62Å; V704-I708 HydrophobicContact CG1-CD1 3.85Å; V704-I708 WeakPolarHBondContact O-CG1 3.44Å; V704-I708 PolarHBondContact O-N 3.48Å; A705-I708 PolarHBondContact O-N 3Å; I708-L710 VanDerWaalsContact C-N 3.27Å; I708-L710 PolarHBondContact O-N 2.95Å; I708-V711 PolarHBondContact O-N 3.32Å; I708-V711 VanDerWaalsContact O-N 3.14Å; I708-E712 HydrophobicContact CG2-CG 4.24Å; I708-E712 WeakPolarHBondContact O-CG 3.27Å; I708-E712 PolarHBondContact O-N 2.74Å
709	C	91.6	Very high	91.2	Very high	6 Å²	6	60 Å²	60	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-27.6	178.1	-179.9	0	0	0	0	113.5	T601 K603 A705 D706 M707 K713	T601-C709 HydrophobicContact CG2-CB 3.75Å; T601-C709 PolarHBondContact OG1-SG 3.05Å; K603-C709 HydrophobicContact CD-CB 4.26Å; A705-C709 VanDerWaalsContact O-CB 3.31Å; A705-C709 WeakPolarHBondContact O-CB 3.47Å; A705-C709 PolarHBondContact O-N 3.5Å; D706-C709 CarbonylContact O-C 3.54Å; D706-C709 PolarHBondContact O-N 3.07Å; M707-C709 VanDerWaalsContact C-N 3.34Å; M707-C709 PolarHBondContact O-N 3.42Å; C709-K713 VanDerWaalsContact O-CB 3.29Å; C709-K713 WeakPolarHBondContact O-CB 3.39Å; C709-K713 WeakPolarHBondContact O-CD 3.44Å; C709-K713 WeakPolarHBondContact O-CG 3.28Å; C709-K713 PolarHBondContact O-N 3.1Å; C709-K713 VanDerWaalsContact SG-CE 3.55Å; C709-K713 PolarHBondContact SG-NZ 2.9Å
710	L	91.8	Very high	91	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.131	31%	0.308	C	S	.	.	H	α-helix	trans	-71.9	-44	172.3	-71.9	172.8	0	0	0	110.9	H393 A394 F414 D706 M707 I708 K713 D714	H393-L710 HydrophobicContact CB-CD1 3.6Å; A394-L710 HydrophobicContact CB-CD2 4.02Å; F414-L710 HydrophobicContact CD2-CD2 4.24Å; F414-L710 HydrophobicContact CE1-CD2 4.2Å; F414-L710 HydrophobicContact CE2-CD2 3.56Å; F414-L710 HydrophobicContact CZ-CD2 3.54Å; D706-L710 VanDerWaalsContact O-CG 3.29Å; D706-L710 WeakPolarHBondContact O-CG 3.42Å; D706-L710 PolarHBondContact O-N 3.39Å; M707-L710 PolarHBondContact O-N 2.88Å; I708-L710 VanDerWaalsContact C-N 3.27Å; I708-L710 PolarHBondContact O-N 2.95Å; L710-K713 CarbonylContact O-C 3.13Å; L710-K713 VanDerWaalsContact O-C 3.31Å; L710-K713 PolarHBondContact O-N 2.72Å; L710-D714 PolarHBondContact O-N 3.36Å; L710-D714 VanDerWaalsContact O-N 3.12Å
711	V	92.5	Very high	90.7	Very high	115 Å²	115	56.9 Å²	56.9	70%	0.697	29%	0.29	S	S	*	.	H	α-helix	trans	-66.1	-45.3	178	173.8	0	0	0	0	111.9	M707 I708 K713 D714	M707-V711 WeakPolarHBondContact O-CG2 3.27Å; M707-V711 PolarHBondContact O-N 3.01Å; I708-V711 PolarHBondContact O-N 3.32Å; I708-V711 VanDerWaalsContact O-N 3.14Å; V711-K713 PolarHBondContact O-N 3.06Å; V711-D714 PolarHBondContact O-N 3.17Å
712	E	90.2	Very high	90.5	Very high	112 Å²	112	61.8 Å²	61.8	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-27.4	175	-73.3	179.6	169.6	0	0	113.3	I708	I708-E712 HydrophobicContact CG2-CG 4.24Å; I708-E712 WeakPolarHBondContact O-CG 3.27Å; I708-E712 PolarHBondContact O-N 2.74Å
713	K	88.2	Confident	90.2	Very high	50 Å²	50	65.6 Å²	65.6	22%	0.217	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	25.3	-177.9	-63.2	174.9	-172.4	167.3	0	111.7	F414 C709 L710 V711 G715 F716	F414-K713 HydrophobicContact CD2-CB 4.27Å; F414-K713 HydrophobicContact CD2-CD 4.23Å; F414-K713 HydrophobicContact CE2-CB 3.75Å; F414-K713 HydrophobicContact CE2-CD 4.48Å; C709-K713 VanDerWaalsContact O-CB 3.29Å; C709-K713 WeakPolarHBondContact O-CB 3.39Å; C709-K713 WeakPolarHBondContact O-CD 3.44Å; C709-K713 WeakPolarHBondContact O-CG 3.28Å; C709-K713 PolarHBondContact O-N 3.1Å; C709-K713 VanDerWaalsContact SG-CE 3.55Å; C709-K713 PolarHBondContact SG-NZ 2.9Å; L710-K713 CarbonylContact O-C 3.13Å; L710-K713 VanDerWaalsContact O-C 3.31Å; L710-K713 PolarHBondContact O-N 2.72Å; V711-K713 PolarHBondContact O-N 3.06Å; K713-G715 PolarHBondContact O-N 3.13Å; K713-F716 HydrophobicContact CB-CB 3.94Å; K713-F716 HydrophobicContact CB-CG 4.48Å; K713-F716 WeakPolarHBondContact O-CB 3.2Å; K713-F716 PolarHBondContact O-N 3.13Å
714	D	88.3	Confident	89.6	Confident	118 Å²	118	63.1 Å²	63.1	63%	0.631	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	141.5	174.7	-172.1	29.4	0	0	0	111.4	L710 V711 F716 R719	L710-D714 PolarHBondContact O-N 3.36Å; L710-D714 VanDerWaalsContact O-N 3.12Å; V711-D714 PolarHBondContact O-N 3.17Å; D714-F716 PolarHBondContact O-N 3.27Å; D714-R719 PolarHBondContact O-NH2 3.02Å
715	G	87.5	Confident	88.9	Confident	11 Å²	11	62.8 Å²	62.8	11%	0.113	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	17	-170.2	0	0	0	0	0	115.8	K713 I717 E718 R719	K713-G715 PolarHBondContact O-N 3.13Å; G715-I717 VanDerWaalsContact C-N 3.3Å; G715-I717 PolarHBondContact O-N 3.45Å; G715-E718 VanDerWaalsContact CA-OE2 3.24Å; G715-E718 WeakPolarHBondContact CA-OE2 3.46Å; G715-R719 WeakPolarHBondContact O-CB 3.39Å; G715-R719 VanDerWaalsContact O-CG 3.25Å; G715-R719 WeakPolarHBondContact O-CG 3.38Å; G715-R719 PolarHBondContact O-N 3.26Å; G715-R719 VanDerWaalsContact O-N 3.12Å; G715-R719 PolarHBondContact O-NE 3.36Å
716	F	89.3	Confident	88	Confident	71 Å²	71	65.6 Å²	65.6	31%	0.311	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-37.9	176.6	167.5	-108.4	0	0	0	111.8	P412 F414 K713 D714 R719 T720	P412-F716 HydrophobicContact CB-CE1 4.46Å; F414-F716 HydrophobicContact CB-CD1 4.23Å; F414-F716 HydrophobicContact CB-CE1 4.1Å; F414-F716 HydrophobicContact CD1-CD1 4.47Å; F414-F716 HydrophobicContact CD2-CD1 4.07Å; F414-F716 HydrophobicContact CG-CD1 4.02Å; F414-F716 HydrophobicContact CG-CE1 4.39Å; K713-F716 HydrophobicContact CB-CB 3.94Å; K713-F716 HydrophobicContact CB-CG 4.48Å; K713-F716 WeakPolarHBondContact O-CB 3.2Å; K713-F716 PolarHBondContact O-N 3.13Å; D714-F716 PolarHBondContact O-N 3.27Å; F716-R719 PolarHBondContact O-N 2.95Å; F716-T720 WeakPolarHBondContact O-CB 3.33Å; F716-T720 PolarHBondContact O-N 3.12Å; F716-T720 PolarHBondContact O-OG1 3.19Å
717	I	89.6	Confident	86.7	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-71.1	-46.6	-179.2	-62.1	-58.5	0	0	0	111.1	G396 W400 P412 F414 F415 G715 R719 T720 I721	G396-I717 WeakPolarHBondContact O-CG2 3.36Å; W400-I717 HydrophobicContact CB-CG2 4.29Å; W400-I717 HydrophobicContact CE3-CG2 4.32Å; P412-I717 HydrophobicContact CB-CD1 4.4Å; P412-I717 HydrophobicContact CG-CD1 4.31Å; F414-I717 HydrophobicContact CD1-CD1 3.74Å; F414-I717 HydrophobicContact CD1-CG1 3.69Å; F414-I717 HydrophobicContact CE1-CD1 4.31Å; F414-I717 HydrophobicContact CE1-CG1 3.73Å; F414-I717 HydrophobicContact CG-CD1 4.35Å; F415-I717 HydrophobicContact CE1-CD1 3.82Å; F415-I717 HydrophobicContact CE1-CG1 3.78Å; F415-I717 HydrophobicContact CE2-CD1 3.97Å; F415-I717 HydrophobicContact CZ-CD1 3.4Å; F415-I717 HydrophobicContact CZ-CG1 3.73Å; F415-I717 HydrophobicContact CZ-CG2 4.02Å; G715-I717 VanDerWaalsContact C-N 3.3Å; G715-I717 PolarHBondContact O-N 3.45Å; I717-R719 VanDerWaalsContact C-N 3.28Å; I717-R719 PolarHBondContact O-N 3.08Å; I717-T720 PolarHBondContact O-N 2.62Å; I717-T720 VanDerWaalsContact O-N 3.1Å; I717-I721 HydrophobicContact CG2-CD1 3.76Å; I717-I721 HydrophobicContact CG2-CG1 4.31Å; I717-I721 WeakPolarHBondContact O-CG1 3.49Å; I717-I721 PolarHBondContact O-N 2.85Å
718	E	89	Confident	84.9	Confident	91 Å²	91	76.7 Å²	76.7	43%	0.425	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-37.9	174.2	-50.2	93.6	-103.4	0	0	112.1	G715 T720 I721 K722	G715-E718 VanDerWaalsContact CA-OE2 3.24Å; G715-E718 WeakPolarHBondContact CA-OE2 3.46Å; E718-T720 VanDerWaalsContact C-N 3.31Å; E718-T720 PolarHBondContact O-N 3.35Å; E718-I721 PolarHBondContact O-N 3.33Å; E718-K722 VanDerWaalsContact O-CB 3.28Å; E718-K722 WeakPolarHBondContact O-CB 3.49Å; E718-K722 WeakPolarHBondContact O-CD 3.41Å; E718-K722 WeakPolarHBondContact O-CG 3.34Å; E718-K722 PolarHBondContact O-N 3.41Å
719	R	89.4	Confident	82.4	Confident	147 Å²	147	84 Å²	84	56%	0.555	43%	0.428	S	S	*	.	H	α-helix	trans	-61.8	-38.3	174.8	-75.2	-179	-75.2	167.5	-7	112.2	D714 G715 F716 I717 S723	D714-R719 PolarHBondContact O-NH2 3.02Å; G715-R719 WeakPolarHBondContact O-CB 3.39Å; G715-R719 VanDerWaalsContact O-CG 3.25Å; G715-R719 WeakPolarHBondContact O-CG 3.38Å; G715-R719 PolarHBondContact O-N 3.26Å; G715-R719 VanDerWaalsContact O-N 3.12Å; G715-R719 PolarHBondContact O-NE 3.36Å; F716-R719 PolarHBondContact O-N 2.95Å; I717-R719 VanDerWaalsContact C-N 3.28Å; I717-R719 PolarHBondContact O-N 3.08Å; R719-S723 PolarHBondContact O-N 3.47Å; R719-S723 PolarHBondContact O-OG 2.99Å
720	T	87.4	Confident	81.9	Confident	30 Å²	30	88 Å²	88	18%	0.184	45%	0.447	C	S	.	.	H	α-helix	trans	-76.9	-32.6	178.9	-51.1	0	0	0	0	112.5	W400 F716 I717 E718 S723 C724	W400-T720 HydrophobicContact CH2-CG2 4.09Å; W400-T720 HydrophobicContact CZ3-CG2 3.71Å; F716-T720 WeakPolarHBondContact O-CB 3.33Å; F716-T720 PolarHBondContact O-N 3.12Å; F716-T720 PolarHBondContact O-OG1 3.19Å; I717-T720 PolarHBondContact O-N 2.62Å; I717-T720 VanDerWaalsContact O-N 3.1Å; E718-T720 VanDerWaalsContact C-N 3.31Å; E718-T720 PolarHBondContact O-N 3.35Å; T720-S723 PolarHBondContact O-OG 2.98Å; T720-S723 VanDerWaalsContact O-OG 3.06Å; T720-C724 PolarHBondContact O-N 3.31Å; T720-C724 PolarHBondContact O-SG 3.19Å
721	I	87.4	Confident	81.4	Confident	27 Å²	27	91.3 Å²	91.3	14%	0.138	46%	0.464	C	S	.	.	H	α-helix	trans	-67.2	-48.1	171.2	-69.4	170	0	0	0	109.7	Q399 W400 C403 T406 I717 E718 S723 C724 T725	Q399-I721 HydrophobicContact CB-CD1 4.22Å; W400-I721 HydrophobicContact CE3-CD1 4.44Å; W400-I721 HydrophobicContact CE3-CG1 3.86Å; W400-I721 HydrophobicContact CZ3-CG1 4.29Å; C403-I721 HydrophobicContact CB-CG2 4.48Å; T406-I721 HydrophobicContact CG2-CG1 4.09Å; I717-I721 HydrophobicContact CG2-CD1 3.76Å; I717-I721 HydrophobicContact CG2-CG1 4.31Å; I717-I721 WeakPolarHBondContact O-CG1 3.49Å; I717-I721 PolarHBondContact O-N 2.85Å; E718-I721 PolarHBondContact O-N 3.33Å; I721-S723 PolarHBondContact O-N 3.44Å; I721-C724 WeakPolarHBondContact O-CA 3.34Å; I721-C724 WeakPolarHBondContact O-CB 3.47Å; I721-C724 PolarHBondContact O-N 3.42Å; I721-T725 PolarHBondContact O-N 2.81Å; I721-T725 VanDerWaalsContact O-N 3.09Å; I721-T725 PolarHBondContact O-OG1 2.84Å
722	K	88.6	Confident	80.8	Confident	147 Å²	147	89.9 Å²	89.9	64%	0.639	45%	0.451	S	S	*	.	H	α-helix	trans	-59.2	-27.8	177.2	-74.6	168.1	-178	173.1	0	113.7	E718	E718-K722 VanDerWaalsContact O-CB 3.28Å; E718-K722 WeakPolarHBondContact O-CB 3.49Å; E718-K722 WeakPolarHBondContact O-CD 3.41Å; E718-K722 WeakPolarHBondContact O-CG 3.34Å; E718-K722 PolarHBondContact O-N 3.41Å
723	S	85.9	Confident	80.2	Confident	93 Å²	93	88.6 Å²	88.6	65%	0.65	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.1	173.7	67.4	0	0	0	0	114.4	R719 T720 I721	R719-S723 PolarHBondContact O-N 3.47Å; R719-S723 PolarHBondContact O-OG 2.99Å; T720-S723 PolarHBondContact O-OG 2.98Å; T720-S723 VanDerWaalsContact O-OG 3.06Å; I721-S723 PolarHBondContact O-N 3.44Å
724	C	81.2	Confident	79.7	Confident	25 Å²	25	91.1 Å²	91.1	17%	0.169	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-28.9	169.4	-68	0	0	0	0	112.7	F405 T720 I721	F405-C724 HydrophobicContact CB-CB 3.95Å; T720-C724 PolarHBondContact O-N 3.31Å; T720-C724 PolarHBondContact O-SG 3.19Å; I721-C724 WeakPolarHBondContact O-CA 3.34Å; I721-C724 WeakPolarHBondContact O-CB 3.47Å; I721-C724 PolarHBondContact O-N 3.42Å
725	T	78.9	Confident	79.1	Confident	55 Å²	55	89.3 Å²	89.3	34%	0.337	45%	0.449	S	S	.	.	S	Bend	trans	-64.5	130.9	173.3	-54.2	0	0	0	0	111.2	F405 I721 Q727	F405-T725 HydrophobicContact CD2-CG2 4.09Å; F405-T725 WeakPolarHBondContact CD2-OG1 3.39Å; F405-T725 HydrophobicContact CE2-CG2 3.8Å; F405-T725 HydrophobicContact CZ-CG2 4.27Å; I721-T725 PolarHBondContact O-N 2.81Å; I721-T725 VanDerWaalsContact O-N 3.09Å; I721-T725 PolarHBondContact O-OG1 2.84Å; T725-Q727 PolarHBondContact O-N 2.71Å
726	P	72.8	Confident	78.6	Confident	65 Å²	65	94.9 Å²	94.9	42%	0.422	47%	0.473	S	S	.	.			trans	-60.9	128.4	171.5	-22.2	33.3	0	0	0	111.6	F405 F728	F405-P726 HydrophobicContact CD1-CG 4.44Å; F405-P726 VanDerWaalsContact CE1-CD 3.45Å; F405-P726 HydrophobicContact CE1-CG 4.15Å; P726-F728 HydrophobicContact CB-CD2 4.45Å; P726-F728 HydrophobicContact CB-CE2 4.02Å; P726-F728 HydrophobicContact CB-CZ 4.34Å; P726-F728 PolarHBondContact O-N 2.92Å
727	Q	64.7	Low	77.7	Confident	169 Å²	169	96.7 Å²	96.7	79%	0.79	49%	0.486	S	S	*	.			trans	-79.2	104.7	168.2	-69.5	-176.2	-8.9	0	0	108.8	T725 N729	T725-Q727 PolarHBondContact O-N 2.71Å; Q727-N729 PolarHBondContact O-N 3.44Å
728	F	56.7	Low	76.7	Confident	185 Å²	185	104.6 Å²	104.6	81%	0.811	53%	0.525	S	S	*	.			trans	-82.1	105	167.4	-66.5	-81.8	0	0	0	108.7	P726	P726-F728 HydrophobicContact CB-CD2 4.45Å; P726-F728 HydrophobicContact CB-CE2 4.02Å; P726-F728 HydrophobicContact CB-CZ 4.34Å; P726-F728 PolarHBondContact O-N 2.92Å
729	N	38.7	Very low	75.6	Confident	221 Å²	221	105.8 Å²	105.8	100%	1.182	53%	0.534	S	S	*	.			trans	-106.4	0	165.1	-70	-14.7	0	0	0	109.1	Q727	Q727-N729 PolarHBondContact O-N 3.44Å

Retrieved 729 of 729 residues in 1069.3 ms (Link to these results)

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