A0A087YKH5_POEFO Loading...

Sema domain, immunoglobulin domain (Ig), short basic domain, secreted, (semaphorin) 3E

AlphaFold DB , UniProt , Accession A0A087YKH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.8	Low	54.4	Low	192 Å²	192	120.6 Å²	120.6	95%	0.946	62%	0.621	S	S	*	*				0	-54.7	0	-131.4	169.3	81.6	0	0	111.5	I3 L4 E5	M1-I3 PolarHBondContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3.42Å; M1-E5 PolarHBondContact O-N 3.32Å
2	L	50.4	Low	54.9	Low	127 Å²	127	126.9 Å²	126.9	67%	0.665	63%	0.631	S	S	*	*	H	α-helix	trans	-54.8	-40	179.7	-131.3	82.6	0	0	0	115.3	L4 E5 I6	L2-L4 PolarHBondContact O-N 3.03Å; L2-E5 PolarHBondContact O-N 3.35Å; L2-I6 WeakPolarHBondContact O-CD1 3.46Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.37Å; L2-I6 PolarHBondContact O-N 3.26Å; L2-I6 VanDerWaalsContact O-N 3.13Å
3	I	54.8	Low	55.7	Low	130 Å²	130	122.7 Å²	122.7	67%	0.667	62%	0.621	S	S	*	*	H	α-helix	trans	-69.2	-34	-178.4	-63.1	171.1	0	0	0	111.9	M1 M7	M1-I3 PolarHBondContact O-N 3.13Å; I3-M7 WeakPolarHBondContact O-CG 3.35Å; I3-M7 PolarHBondContact O-N 3.4Å
4	L	50.3	Low	56.8	Low	138 Å²	138	119.1 Å²	119.1	72%	0.723	61%	0.608	S	S	*	*	H	α-helix	trans	-70.2	-35.8	176.6	-102.5	97.9	0	0	0	111.8	M1 L2 A8	M1-L4 PolarHBondContact O-N 3.42Å; L2-L4 PolarHBondContact O-N 3.03Å; L4-A8 WeakPolarHBondContact O-CB 3.49Å; L4-A8 PolarHBondContact O-N 3.39Å
5	E	52.4	Low	57.4	Low	125 Å²	125	117.5 Å²	117.5	58%	0.584	60%	0.601	S	S	*	*	H	α-helix	trans	-69.4	-38.8	176.4	-73.9	-177.6	153.8	0	0	112	M1 L2 A8 G9	M1-E5 PolarHBondContact O-N 3.32Å; L2-E5 PolarHBondContact O-N 3.35Å; E5-A8 PolarHBondContact O-N 3.32Å; E5-G9 PolarHBondContact O-N 3.47Å
6	I	56.9	Low	57.9	Low	108 Å²	108	118.1 Å²	118.1	55%	0.554	61%	0.606	S	S	*	*	H	α-helix	trans	-65.7	-43.2	175.8	-65.1	164.8	0	0	0	110.5	L2 G9 W10	L2-I6 WeakPolarHBondContact O-CD1 3.46Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.37Å; L2-I6 PolarHBondContact O-N 3.26Å; L2-I6 VanDerWaalsContact O-N 3.13Å; I6-G9 PolarHBondContact O-N 2.86Å; I6-W10 PolarHBondContact O-N 2.86Å
7	M	48.9	Very low	58.4	Low	119 Å²	119	115.4 Å²	115.4	59%	0.586	60%	0.599	S	S	*	*	H	α-helix	trans	-64.7	-38.9	175.3	-80.3	-169.2	51.7	0	0	113	I3 W10 L11	I3-M7 WeakPolarHBondContact O-CG 3.35Å; I3-M7 PolarHBondContact O-N 3.4Å; M7-W10 PolarHBondContact O-N 3.24Å; M7-L11 PolarHBondContact O-N 3.4Å
8	A	55.2	Low	58.8	Low	48 Å²	48	115.1 Å²	115.1	40%	0.397	60%	0.598	S	S	.	*	H	α-helix	trans	-66.8	-36.6	176.1	0	0	0	0	0	112.1	L4 E5 R12	L4-A8 WeakPolarHBondContact O-CB 3.49Å; L4-A8 PolarHBondContact O-N 3.39Å; E5-A8 PolarHBondContact O-N 3.32Å; A8-R12 WeakPolarHBondContact O-CB 3.49Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 3.34Å; A8-R12 VanDerWaalsContact O-N 3.08Å
9	G	59.4	Low	59.1	Low	41 Å²	41	115.5 Å²	115.5	42%	0.423	60%	0.599	S	S	.	*	H	α-helix	trans	-64.9	-42.1	172.5	0	0	0	0	0	112.7	E5 I6 R12 S13	E5-G9 PolarHBondContact O-N 3.47Å; I6-G9 PolarHBondContact O-N 2.86Å; G9-R12 PolarHBondContact O-N 2.72Å; G9-S13 PolarHBondContact O-N 3.09Å
10	W	59.2	Low	59.3	Low	192 Å²	192	115.1 Å²	115.1	73%	0.727	60%	0.597	S	S	*	*	H	α-helix	trans	-65.8	-44.4	176.9	-124.2	71.3	0	0	0	112.2	I6 M7 R12 S13 V14	I6-W10 PolarHBondContact O-N 2.86Å; M7-W10 PolarHBondContact O-N 3.24Å; W10-R12 VanDerWaalsContact C-N 3.32Å; W10-R12 PolarHBondContact O-N 2.96Å; W10-S13 PolarHBondContact O-N 3.12Å; W10-V14 HydrophobicContact CE3-CG2 4.14Å; W10-V14 HydrophobicContact CZ3-CG2 4.4Å; W10-V14 WeakPolarHBondContact O-CG2 3.43Å; W10-V14 PolarHBondContact O-N 3.39Å
11	L	59	Low	59.4	Low	107 Å²	107	114.3 Å²	114.3	56%	0.56	59%	0.593	S	S	*	*	H	α-helix	trans	-62.3	-37.1	175	-109.5	78.8	0	0	0	112.6	M7 N15	M7-L11 PolarHBondContact O-N 3.4Å; L11-N15 WeakPolarHBondContact O-CB 3.39Å; L11-N15 PolarHBondContact O-N 2.79Å; L11-N15 PolarHBondContact O-ND2 2.81Å
12	R	61.1	Low	59.6	Low	196 Å²	196	108.1 Å²	108.1	74%	0.74	57%	0.567	S	S	*	*	H	α-helix	trans	-68	-41.3	175.8	-76.8	177.8	-178.9	-165.2	1.6	111.8	A8 G9 W10 L16	A8-R12 WeakPolarHBondContact O-CB 3.49Å; A8-R12 VanDerWaalsContact O-CG 3.3Å; A8-R12 WeakPolarHBondContact O-CG 3.45Å; A8-R12 PolarHBondContact O-N 3.34Å; A8-R12 VanDerWaalsContact O-N 3.08Å; G9-R12 PolarHBondContact O-N 2.72Å; W10-R12 VanDerWaalsContact C-N 3.32Å; W10-R12 PolarHBondContact O-N 2.96Å; R12-L16 WeakPolarHBondContact O-CB 3.38Å; R12-L16 PolarHBondContact O-N 3.35Å
13	S	64.6	Low	59.8	Low	72 Å²	72	107.4 Å²	107.4	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-64.3	-45.4	176.3	-170.7	0	0	0	0	111.7	G9 W10 L16 S17	G9-S13 PolarHBondContact O-N 3.09Å; W10-S13 PolarHBondContact O-N 3.12Å; S13-L16 PolarHBondContact O-N 2.95Å; S13-S17 WeakPolarHBondContact O-CB 3.42Å; S13-S17 PolarHBondContact O-N 3.14Å; S13-S17 PolarHBondContact O-OG 3.13Å
14	V	71.9	Confident	59.6	Low	73 Å²	73	105.5 Å²	105.5	44%	0.442	55%	0.554	S	S	.	*	H	α-helix	trans	-64.9	-42.3	179	174.3	0	0	0	0	111	W10 L16 S17 L18	W10-V14 HydrophobicContact CE3-CG2 4.14Å; W10-V14 HydrophobicContact CZ3-CG2 4.4Å; W10-V14 WeakPolarHBondContact O-CG2 3.43Å; W10-V14 PolarHBondContact O-N 3.39Å; V14-L16 PolarHBondContact O-N 3.39Å; V14-S17 PolarHBondContact O-N 2.88Å; V14-L18 WeakPolarHBondContact O-CB 3.47Å; V14-L18 PolarHBondContact O-N 3.32Å
15	N	65.3	Low	59.2	Low	94 Å²	94	104.2 Å²	104.2	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-36.3	175.5	-81.4	-44.6	0	0	0	112.8	L11 L18 M19	L11-N15 WeakPolarHBondContact O-CB 3.39Å; L11-N15 PolarHBondContact O-N 2.79Å; L11-N15 PolarHBondContact O-ND2 2.81Å; N15-L18 PolarHBondContact O-N 2.65Å; N15-M19 WeakPolarHBondContact O-CB 3.4Å; N15-M19 VanDerWaalsContact O-CG 3.3Å; N15-M19 WeakPolarHBondContact O-CG 3.31Å; N15-M19 PolarHBondContact O-N 3.17Å
16	L	65	Low	58.7	Low	128 Å²	128	103 Å²	103	67%	0.67	54%	0.544	S	S	*	.	H	α-helix	trans	-68.3	-42.3	176.1	-159.7	77.6	0	0	0	111.1	R12 S13 V14 M19 L20	R12-L16 WeakPolarHBondContact O-CB 3.38Å; R12-L16 PolarHBondContact O-N 3.35Å; S13-L16 PolarHBondContact O-N 2.95Å; V14-L16 PolarHBondContact O-N 3.39Å; L16-M19 PolarHBondContact O-N 2.9Å; L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 PolarHBondContact O-N 3.23Å
17	S	65.9	Low	57.5	Low	71 Å²	71	100.4 Å²	100.4	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-39.2	174.3	-59	0	0	0	0	112.2	S13 V14 L20 L21	S13-S17 WeakPolarHBondContact O-CB 3.42Å; S13-S17 PolarHBondContact O-N 3.14Å; S13-S17 PolarHBondContact O-OG 3.13Å; V14-S17 PolarHBondContact O-N 2.88Å; S17-L20 PolarHBondContact O-N 2.88Å; S17-L21 VanDerWaalsContact O-CB 3.3Å; S17-L21 WeakPolarHBondContact O-CB 3.23Å; S17-L21 PolarHBondContact O-N 2.98Å
18	L	66.7	Low	56.6	Low	110 Å²	110	102.1 Å²	102.1	58%	0.576	55%	0.553	S	S	*	*	H	α-helix	trans	-68.6	-40	176.8	-149.4	87.2	0	0	0	111.4	V14 N15 L21 C22	V14-L18 WeakPolarHBondContact O-CB 3.47Å; V14-L18 PolarHBondContact O-N 3.32Å; N15-L18 PolarHBondContact O-N 2.65Å; L18-L21 PolarHBondContact O-N 3.34Å; L18-C22 WeakPolarHBondContact O-CB 3.35Å; L18-C22 PolarHBondContact O-N 2.79Å
19	M	63.6	Low	55.5	Low	124 Å²	124	102.4 Å²	102.4	61%	0.611	56%	0.555	S	S	*	*	H	α-helix	trans	-66.3	-38.7	173.7	-79.3	-73.5	-88.1	0	0	112	N15 L16 C22 L23	N15-M19 WeakPolarHBondContact O-CB 3.4Å; N15-M19 VanDerWaalsContact O-CG 3.3Å; N15-M19 WeakPolarHBondContact O-CG 3.31Å; N15-M19 PolarHBondContact O-N 3.17Å; L16-M19 PolarHBondContact O-N 2.9Å; M19-C22 PolarHBondContact O-N 3.36Å; M19-L23 VanDerWaalsContact O-CB 3.31Å; M19-L23 WeakPolarHBondContact O-CB 3.44Å; M19-L23 WeakPolarHBondContact O-CD1 3.19Å; M19-L23 VanDerWaalsContact O-CG 3.32Å; M19-L23 WeakPolarHBondContact O-CG 3.46Å; M19-L23 PolarHBondContact O-N 3.31Å
20	L	64.2	Low	54.2	Low	107 Å²	107	108 Å²	108	56%	0.56	57%	0.57	S	S	*	*	H	α-helix	trans	-67.3	-42.1	175.1	-147.9	84.2	0	0	0	111	L16 S17 C22 L23 I24	L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 PolarHBondContact O-N 3.23Å; S17-L20 PolarHBondContact O-N 2.88Å; L20-C22 VanDerWaalsContact C-N 3.34Å; L20-L23 PolarHBondContact O-N 3.3Å; L20-I24 HydrophobicContact CG-CD1 4.46Å; L20-I24 WeakPolarHBondContact O-CB 3.43Å; L20-I24 WeakPolarHBondContact O-CD1 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.21Å; L20-I24 PolarHBondContact O-N 3.03Å
21	L	61.8	Low	53.1	Low	99 Å²	99	104.1 Å²	104.1	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-39	174.2	-161.1	84.8	0	0	0	111.1	S17 L18 I24 L25	S17-L21 VanDerWaalsContact O-CB 3.3Å; S17-L21 WeakPolarHBondContact O-CB 3.23Å; S17-L21 PolarHBondContact O-N 2.98Å; L18-L21 PolarHBondContact O-N 3.34Å; L21-I24 PolarHBondContact O-N 3.21Å; L21-L25 HydrophobicContact CD2-CD1 4.18Å; L21-L25 HydrophobicContact CG-CD1 4.08Å; L21-L25 VanDerWaalsContact O-CB 3.28Å; L21-L25 WeakPolarHBondContact O-CB 3.34Å; L21-L25 WeakPolarHBondContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CG 3.17Å; L21-L25 PolarHBondContact O-N 3.36Å
22	C	54.7	Low	52.1	Low	61 Å²	61	108.3 Å²	108.3	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-68.2	-39.5	175.8	-148.3	0	0	0	0	111	L18 M19 L20 L25 L26	L18-C22 WeakPolarHBondContact O-CB 3.35Å; L18-C22 PolarHBondContact O-N 2.79Å; M19-C22 PolarHBondContact O-N 3.36Å; L20-C22 VanDerWaalsContact C-N 3.34Å; C22-L25 PolarHBondContact O-N 2.65Å; C22-L26 WeakPolarHBondContact O-CB 3.37Å; C22-L26 VanDerWaalsContact O-CD1 3.31Å; C22-L26 WeakPolarHBondContact O-CD1 2.98Å; C22-L26 WeakPolarHBondContact O-CG 3.42Å; C22-L26 PolarHBondContact O-N 3.35Å
23	L	54.6	Low	51.2	Low	112 Å²	112	104.1 Å²	104.1	59%	0.586	57%	0.57	S	S	*	*	H	α-helix	trans	-65	-36.1	172	-81.2	160.7	0	0	0	112.4	M19 L20 G27	M19-L23 VanDerWaalsContact O-CB 3.31Å; M19-L23 WeakPolarHBondContact O-CB 3.44Å; M19-L23 WeakPolarHBondContact O-CD1 3.19Å; M19-L23 VanDerWaalsContact O-CG 3.32Å; M19-L23 WeakPolarHBondContact O-CG 3.46Å; M19-L23 PolarHBondContact O-N 3.31Å; L20-L23 PolarHBondContact O-N 3.3Å; L23-G27 WeakPolarHBondContact O-CA 3.13Å; L23-G27 PolarHBondContact O-N 2.97Å
24	I	51.9	Low	50.7	Low	91 Å²	91	102.7 Å²	102.7	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-71	-41.4	174	-68.4	163	0	0	0	110.5	L20 L21 G27 M28	L20-I24 HydrophobicContact CG-CD1 4.46Å; L20-I24 WeakPolarHBondContact O-CB 3.43Å; L20-I24 WeakPolarHBondContact O-CD1 3.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.21Å; L20-I24 PolarHBondContact O-N 3.03Å; L21-I24 PolarHBondContact O-N 3.21Å; I24-G27 PolarHBondContact O-N 2.86Å; I24-M28 WeakPolarHBondContact O-CB 3.33Å; I24-M28 WeakPolarHBondContact O-CG 3.2Å; I24-M28 PolarHBondContact O-N 2.96Å
25	L	41.9	Very low	50.3	Low	111 Å²	111	102.6 Å²	102.6	58%	0.581	56%	0.557	S	S	*	*	H	α-helix	trans	-70	-34.2	176	-72.9	165.1	0	0	0	112.4	L21 C22 A29	L21-L25 HydrophobicContact CD2-CD1 4.18Å; L21-L25 HydrophobicContact CG-CD1 4.08Å; L21-L25 VanDerWaalsContact O-CB 3.28Å; L21-L25 WeakPolarHBondContact O-CB 3.34Å; L21-L25 WeakPolarHBondContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CG 3.17Å; L21-L25 PolarHBondContact O-N 3.36Å; C22-L25 PolarHBondContact O-N 2.65Å; L25-A29 PolarHBondContact O-N 3.24Å
26	L	40.9	Very low	51.1	Low	99 Å²	99	105.2 Å²	105.2	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-73.1	-33.4	171.1	-82.2	152	0	0	0	111.5	C22 A29	C22-L26 WeakPolarHBondContact O-CB 3.37Å; C22-L26 VanDerWaalsContact O-CD1 3.31Å; C22-L26 WeakPolarHBondContact O-CD1 2.98Å; C22-L26 WeakPolarHBondContact O-CG 3.42Å; C22-L26 PolarHBondContact O-N 3.35Å; L26-A29 PolarHBondContact O-N 3.5Å
27	G	31.2	Very low	52.3	Low	54 Å²	54	99.2 Å²	99.2	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-68.1	-35.5	172.5	0	0	0	0	0	112.9	L23 I24 A29	L23-G27 WeakPolarHBondContact O-CA 3.13Å; L23-G27 PolarHBondContact O-N 2.97Å; I24-G27 PolarHBondContact O-N 2.86Å; G27-A29 VanDerWaalsContact C-N 3.26Å; G27-A29 PolarHBondContact O-N 3.43Å
28	M	30.8	Very low	53.5	Low	154 Å²	154	96.2 Å²	96.2	76%	0.759	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.5	172.7	-68.1	-89.3	177	0	0	113	I24	I24-M28 WeakPolarHBondContact O-CB 3.33Å; I24-M28 WeakPolarHBondContact O-CG 3.2Å; I24-M28 PolarHBondContact O-N 2.96Å
29	A	31.8	Very low	54.8	Low	55 Å²	55	91.7 Å²	91.7	46%	0.455	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.6	178.8	0	0	0	0	0	114.2	L25 L26 G27	L25-A29 PolarHBondContact O-N 3.24Å; L26-A29 PolarHBondContact O-N 3.5Å; G27-A29 VanDerWaalsContact C-N 3.26Å; G27-A29 PolarHBondContact O-N 3.43Å
30	H	32.7	Very low	56.2	Low	157 Å²	157	91.2 Å²	91.2	73%	0.727	47%	0.474	S	S	*	.			trans	-122.2	51.4	-176.6	-83.7	-63.3	0	0	0	114.1
31	T	34.7	Very low	57.7	Low	112 Å²	112	86.8 Å²	86.8	69%	0.687	45%	0.451	S	S	*	.			trans	-134.9	63.8	141.2	54.9	0	0	0	0	108.2	H33	T31-H33 PolarHBondContact O-N 2.96Å
32	K	38.3	Very low	59.3	Low	195 Å²	195	84.2 Å²	84.2	85%	0.848	44%	0.442	S	S	*	.			trans	-63.4	96	156.6	-79.9	-173.2	178.4	-178	0	105.5	S34	K32-S34 PolarHBondContact O-N 3.47Å
33	H	43.3	Very low	61.2	Low	108 Å²	108	83.6 Å²	83.6	50%	0.5	43%	0.433	S	S	.	.			trans	-43.1	135.7	164.9	-72.4	-81.5	0	0	0	107.5	T31 I35	T31-H33 PolarHBondContact O-N 2.96Å; H33-I35 HydrophobicContact CB-CG1 4.45Å; H33-I35 WeakPolarHBondContact O-CG1 3.28Å; H33-I35 PolarHBondContact O-N 2.75Å
34	S	52.7	Low	63.1	Low	42 Å²	42	84.4 Å²	84.4	29%	0.294	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-73.1	81.9	176.8	-174.1	0	0	0	0	108.9	K32 Y36 Q615	K32-S34 PolarHBondContact O-N 3.47Å; S34-Y36 PolarHBondContact O-N 2.75Å; S34-Y36 PolarHBondContact OG-O 3.47Å; S34-Q615 WeakPolarHBondContact OG-CG 2.99Å; S34-Q615 PolarHBondContact OG-NE2 2.72Å
35	I	64.4	Low	65.2	Low	71 Å²	71	84 Å²	84	36%	0.364	43%	0.427	S	S	.	.			trans	-62.8	-26.1	178.2	-63.6	173.9	0	0	0	110.5	H33 R436	H33-I35 HydrophobicContact CB-CG1 4.45Å; H33-I35 WeakPolarHBondContact O-CG1 3.28Å; H33-I35 PolarHBondContact O-N 2.75Å; I35-R436 VanDerWaalsContact CG1-NH2 3.26Å
36	Y	81.8	Confident	67.7	Low	149 Å²	149	78.7 Å²	78.7	58%	0.584	40%	0.4	S	S	*	.	S	Bend	trans	-88.5	135.6	-178	-61	-76	0	0	0	111.4	S34 Q615	S34-Y36 PolarHBondContact O-N 2.75Å; S34-Y36 PolarHBondContact OG-O 3.47Å; Y36-Q615 WeakPolarHBondContact O-CG 3.03Å; Y36-Q615 PolarHBondContact O-NE2 3.4Å
37	P	90.3	Very high	70.2	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.013	40%	0.398	C	S	.	.			trans	-63.4	141.3	170.3	27.1	-32.5	0	0	0	109.1	I39 R40 L484 E487 L614	P37-I39 VanDerWaalsContact C-N 3.3Å; P37-I39 PolarHBondContact O-N 3.1Å; P37-R40 HydrophobicContact CG-CB 4.36Å; P37-L484 WeakPolarHBondContact CA-O 3.47Å; P37-L484 HydrophobicContact CB-CD2 3.65Å; P37-L484 HydrophobicContact CB-CG 3.71Å; P37-L484 HydrophobicContact CG-CD2 4.19Å; P37-E487 HydrophobicContact CB-CB 3.73Å; P37-E487 HydrophobicContact CG-CB 3.7Å; P37-L614 HydrophobicContact CG-CD1 4.23Å; P37-L614 WeakPolarHBondContact O-CB 3.03Å
38	R	91.6	Very high	73.2	Confident	8 Å²	8	83 Å²	83	3%	0.03	40%	0.397	C	S	.	.	S	Bend	trans	-56.4	-49.8	172.6	-171.7	-166	175.7	77.8	3.3	110	L484 L485 D534 L537 A538 S613 L614 Q615 E663	R38-L484 PolarHBondContact N-O 3.46Å; R38-L485 WeakPolarHBondContact CB-O 3.3Å; R38-L485 PolarHBondContact N-O 3.38Å; R38-D534 PolarHBondContact NH2-O 3.46Å; R38-D534 VanDerWaalsContact NH2-O 3.15Å; R38-L537 PolarHBondContact NH1-O 3.09Å; R38-A538 VanDerWaalsContact CZ-CA 3.46Å; R38-A538 VanDerWaalsContact CZ-N 3.31Å; R38-A538 VanDerWaalsContact NE-CA 3.29Å; R38-S613 WeakPolarHBondContact CG-OG 3.34Å; R38-S613 CarbonylContact O-C 3.5Å; R38-S613 VanDerWaalsContact O-CA 3.24Å; R38-S613 WeakPolarHBondContact O-CA 3.32Å; R38-L614 PolarHBondContact O-N 2.95Å; R38-Q615 HydrophobicContact CB-CG 4.42Å; R38-E663 IonicContact CZ-OE1 2.96Å; R38-E663 IonicContact CZ-OE2 3.34Å; R38-E663 IonicContact NH1-OE1 3.74Å; R38-E663 PolarHBondContact NH1-OE1 3.28Å; R38-E663 IonicContact NH1-OE2 3.48Å; R38-E663 PolarHBondContact NH1-OE2 3.09Å; R38-E663 IonicContact NH2-OE2 2.8Å; R38-E663 PolarHBondContact NH2-OE2 2.79Å; R38-E663 VanDerWaalsContact NH2-OE2 3.15Å
39	I	93.1	Very high	76.2	Confident	14 Å²	14	77.7 Å²	77.7	7%	0.072	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.6	175.4	-59.9	-177	0	0	0	110.3	P37 L41 L485 E486 E487 L527 Y528 R612	P37-I39 VanDerWaalsContact C-N 3.3Å; P37-I39 PolarHBondContact O-N 3.1Å; I39-L41 HydrophobicContact CG2-CD2 3.71Å; I39-L41 HydrophobicContact CG2-CG 3.88Å; I39-L485 PolarHBondContact N-O 3.2Å; I39-L485 VanDerWaalsContact N-O 3.14Å; I39-E486 CarbonylContact O-C 3.5Å; I39-E486 WeakPolarHBondContact O-CA 3.47Å; I39-E487 PolarHBondContact O-N 2.75Å; I39-L527 WeakPolarHBondContact CD1-O 3.26Å; I39-Y528 HydrophobicContact CD1-CD1 3.39Å; I39-Y528 HydrophobicContact CD1-CE1 3.67Å; I39-Y528 HydrophobicContact CD1-CG 4.33Å; I39-Y528 HydrophobicContact CG1-CD1 4.25Å; I39-Y528 HydrophobicContact CG1-CE1 4.26Å; I39-R612 HydrophobicContact CD1-CG 4.48Å
40	R	94.3	Very high	79.1	Confident	114 Å²	114	79.3 Å²	79.3	43%	0.43	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.6	167.7	178.2	179.6	-73.6	145.3	3.4	109	P37 E487 L614	P37-R40 HydrophobicContact CG-CB 4.36Å; R40-E487 WeakPolarHBondContact CA-O 3.29Å; R40-E487 HydrophobicContact CB-CB 4.41Å; R40-E487 HydrophobicContact CG-CB 4.36Å; R40-E487 IonicContact CZ-OE1 3.82Å; R40-E487 IonicContact CZ-OE2 3.48Å; R40-E487 VanDerWaalsContact NE-CD 3.27Å; R40-E487 IonicContact NE-OE1 3.47Å; R40-E487 PolarHBondContact NE-OE1 2.03Å; R40-E487 IonicContact NE-OE2 3.34Å; R40-E487 PolarHBondContact NE-OE2 2.8Å; R40-E487 IonicContact NH2-OE1 3.68Å; R40-E487 IonicContact NH2-OE2 3.84Å; R40-E487 PolarHBondContact NH2-OE2 3.32Å; R40-L614 HydrophobicContact CB-CD1 3.88Å
41	L	95.1	Very high	82	Confident	14 Å²	14	71.8 Å²	71.8	7%	0.073	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.9	176.9	-60.6	177.1	0	0	0	109.7	I39 E45 L46 E487 L488 H489 L527	I39-L41 HydrophobicContact CG2-CD2 3.71Å; I39-L41 HydrophobicContact CG2-CG 3.88Å; L41-E45 HydrophobicContact CD2-CB 4.45Å; L41-L46 HydrophobicContact CB-CD2 3.58Å; L41-L46 HydrophobicContact CB-CG 4.02Å; L41-L46 HydrophobicContact CD1-CD2 3.68Å; L41-L46 HydrophobicContact CG-CD2 4.28Å; L41-E487 PolarHBondContact N-O 3.33Å; L41-L488 HydrophobicContact CB-CD2 4.19Å; L41-L488 HydrophobicContact CD1-CD2 3.83Å; L41-L488 HydrophobicContact CG-CD2 4.3Å; L41-H489 PolarHBondContact O-N 3.45Å; L41-L527 HydrophobicContact CD1-CD1 3.71Å
42	S	95.6	Very high	84.9	Confident	45 Å²	45	66.5 Å²	66.5	32%	0.315	31%	0.307	S	S	.	.			trans	-67.5	158	170.5	67.7	0	0	0	0	111.2	K44 E45 L46	S42-K44 PolarHBondContact O-N 2.85Å; S42-K44 VanDerWaalsContact O-N 3.12Å; S42-E45 VanDerWaalsContact CB-OE2 3.29Å; S42-E45 WeakPolarHBondContact CB-OE2 3.27Å; S42-E45 PolarHBondContact N-OE2 2.74Å; S42-E45 PolarHBondContact O-N 3.34Å; S42-E45 VanDerWaalsContact OG-CD 3.29Å; S42-E45 WeakPolarHBondContact OG-CG 3.46Å; S42-E45 PolarHBondContact OG-N 3.29Å; S42-E45 PolarHBondContact OG-OE2 2.65Å; S42-L46 WeakPolarHBondContact O-CG 3.46Å; S42-L46 PolarHBondContact O-N 3.21Å
43	H	93.9	Very high	87.6	Confident	49 Å²	49	58.5 Å²	58.5	23%	0.227	27%	0.272	C	S	.	.	H	α-helix	trans	-50.4	-39.7	174.6	171.1	69.8	0	0	0	112.8	L46 W47 I54 H489 I490	H43-L46 PolarHBondContact O-N 2.79Å; H43-W47 PolarHBondContact O-N 3.23Å; H43-W47 VanDerWaalsContact O-N 3.16Å; H43-I54 VanDerWaalsContact CE1-CD1 3.4Å; H43-I54 WeakPolarHBondContact CE1-CD1 3.31Å; H43-H489 WeakPolarHBondContact CA-O 3.02Å; H43-H489 WeakPolarHBondContact CB-O 3.47Å; H43-H489 PolarHBondContact N-O 2.85Å; H43-I490 PolarHBondContact ND1-O 2.75Å
44	K	95.1	Very high	90	Very high	129 Å²	129	54.4 Å²	54.4	56%	0.561	25%	0.253	S	S	*	.	H	α-helix	trans	-64.7	-44.2	178.2	-178.8	179.4	173.3	-173.3	0	111.8	S42 W47 Q48	S42-K44 PolarHBondContact O-N 2.85Å; S42-K44 VanDerWaalsContact O-N 3.12Å; K44-W47 PolarHBondContact O-N 3.14Å; K44-Q48 VanDerWaalsContact CE-NE2 3.31Å; K44-Q48 HydrophobicContact CG-CG 4.44Å; K44-Q48 WeakPolarHBondContact O-CB 3.09Å; K44-Q48 VanDerWaalsContact O-CG 3.27Å; K44-Q48 WeakPolarHBondContact O-CG 3.06Å; K44-Q48 PolarHBondContact O-N 3.26Å
45	E	95	Very high	92	Very high	82 Å²	82	52.9 Å²	52.9	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-67.2	-41	179	-71.2	160.3	142.2	0	0	111.3	L41 S42 W47 Q48 T49	L41-E45 HydrophobicContact CD2-CB 4.45Å; S42-E45 VanDerWaalsContact CB-OE2 3.29Å; S42-E45 WeakPolarHBondContact CB-OE2 3.27Å; S42-E45 PolarHBondContact N-OE2 2.74Å; S42-E45 PolarHBondContact O-N 3.34Å; S42-E45 VanDerWaalsContact OG-CD 3.29Å; S42-E45 WeakPolarHBondContact OG-CG 3.46Å; S42-E45 PolarHBondContact OG-N 3.29Å; S42-E45 PolarHBondContact OG-OE2 2.65Å; E45-W47 VanDerWaalsContact C-N 3.26Å; E45-W47 PolarHBondContact O-N 3.33Å; E45-Q48 PolarHBondContact O-N 3.37Å; E45-T49 WeakPolarHBondContact O-CB 3.48Å; E45-T49 WeakPolarHBondContact O-CG2 3.3Å; E45-T49 PolarHBondContact O-N 2.83Å; E45-T49 PolarHBondContact O-OG1 2.92Å
46	L	95.6	Very high	93.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-41.1	175.5	-64.5	177.6	0	0	0	111.9	L41 S42 H43 T49 N50 R51 T52 L488 H489 I490	L41-L46 HydrophobicContact CB-CD2 3.58Å; L41-L46 HydrophobicContact CB-CG 4.02Å; L41-L46 HydrophobicContact CD1-CD2 3.68Å; L41-L46 HydrophobicContact CG-CD2 4.28Å; S42-L46 WeakPolarHBondContact O-CG 3.46Å; S42-L46 PolarHBondContact O-N 3.21Å; H43-L46 PolarHBondContact O-N 2.79Å; L46-T49 PolarHBondContact O-OG1 2.96Å; L46-N50 PolarHBondContact O-N 3.42Å; L46-R51 HydrophobicContact CB-CB 4.32Å; L46-R51 HydrophobicContact CD2-CB 3.94Å; L46-R51 HydrophobicContact CD2-CG 3.51Å; L46-R51 WeakPolarHBondContact O-CB 3.44Å; L46-R51 PolarHBondContact O-N 3.13Å; L46-T52 HydrophobicContact CB-CG2 3.51Å; L46-T52 PolarHBondContact O-N 3.3Å; L46-L488 HydrophobicContact CD1-CB 4.32Å; L46-L488 HydrophobicContact CD2-CD2 3.91Å; L46-H489 WeakPolarHBondContact CD1-O 3.41Å; L46-I490 HydrophobicContact CD1-CD1 4.17Å
47	W	92.6	Very high	92.8	Very high	129 Å²	129	49 Å²	49	49%	0.489	23%	0.234	S	C	.	.	H	α-helix	trans	-68.8	-48.7	176.4	-178.5	-100.1	0	0	0	111.9	H43 K44 E45 T49 N50	H43-W47 PolarHBondContact O-N 3.23Å; H43-W47 VanDerWaalsContact O-N 3.16Å; K44-W47 PolarHBondContact O-N 3.14Å; E45-W47 VanDerWaalsContact C-N 3.26Å; E45-W47 PolarHBondContact O-N 3.33Å; W47-T49 VanDerWaalsContact C-N 3.25Å; W47-T49 PolarHBondContact O-N 3.49Å; W47-N50 PolarHBondContact O-N 2.66Å; W47-N50 VanDerWaalsContact O-N 3.09Å
48	Q	94.4	Very high	92	Very high	114 Å²	114	58.9 Å²	58.9	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-33	-178.9	-74.5	178.1	-27.2	0	0	113	K44 E45 N50	K44-Q48 VanDerWaalsContact CE-NE2 3.31Å; K44-Q48 HydrophobicContact CG-CG 4.44Å; K44-Q48 WeakPolarHBondContact O-CB 3.09Å; K44-Q48 VanDerWaalsContact O-CG 3.27Å; K44-Q48 WeakPolarHBondContact O-CG 3.06Å; K44-Q48 PolarHBondContact O-N 3.26Å; E45-Q48 PolarHBondContact O-N 3.37Å; Q48-N50 VanDerWaalsContact C-N 3.32Å
49	T	93.1	Very high	90.6	Very high	42 Å²	42	62.7 Å²	62.7	26%	0.258	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1.4	179.1	55.9	0	0	0	0	113.5	E45 L46 W47 R51 Q524 L527	E45-T49 WeakPolarHBondContact O-CB 3.48Å; E45-T49 WeakPolarHBondContact O-CG2 3.3Å; E45-T49 PolarHBondContact O-N 2.83Å; E45-T49 PolarHBondContact O-OG1 2.92Å; L46-T49 PolarHBondContact O-OG1 2.96Å; W47-T49 VanDerWaalsContact C-N 3.25Å; W47-T49 PolarHBondContact O-N 3.49Å; T49-R51 PolarHBondContact O-N 3.35Å; T49-R51 WeakPolarHBondContact OG1-CB 3.4Å; T49-Q524 PolarHBondContact O-NE2 2.97Å; T49-L527 HydrophobicContact CG2-CD2 4Å
50	N	93.9	Very high	89.2	Confident	89 Å²	89	69 Å²	69	48%	0.476	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	32.1	-172	-60.2	-60.7	0	0	0	113.2	L46 W47 Q48 W53 R521	L46-N50 PolarHBondContact O-N 3.42Å; W47-N50 PolarHBondContact O-N 2.66Å; W47-N50 VanDerWaalsContact O-N 3.09Å; Q48-N50 VanDerWaalsContact C-N 3.32Å; N50-W53 HydrophobicContact CB-CZ2 4.41Å; N50-R521 PolarHBondContact O-NE 3.32Å; N50-R521 PolarHBondContact O-NH2 2.67Å
51	R	93.9	Very high	88.2	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.			trans	-76.3	-30.6	174.9	-175.2	69.6	172.8	150.8	-1.8	111.6	L46 T49 E486 R521 L522 H523 Q524	L46-R51 HydrophobicContact CB-CB 4.32Å; L46-R51 HydrophobicContact CD2-CB 3.94Å; L46-R51 HydrophobicContact CD2-CG 3.51Å; L46-R51 WeakPolarHBondContact O-CB 3.44Å; L46-R51 PolarHBondContact O-N 3.13Å; T49-R51 PolarHBondContact O-N 3.35Å; T49-R51 WeakPolarHBondContact OG1-CB 3.4Å; R51-E486 IonicContact CZ-OE2 3.43Å; R51-E486 IonicContact NE-OE2 3.54Å; R51-E486 IonicContact NH2-OE1 3.75Å; R51-E486 IonicContact NH2-OE2 3.54Å; R51-E486 PolarHBondContact NH2-OE2 3.07Å; R51-R521 PolarHBondContact NH1-O 2.99Å; R51-R521 PolarHBondContact NH2-O 3.29Å; R51-R521 VanDerWaalsContact NH2-O 3.12Å; R51-R521 PolarHBondContact O-N 2.95Å; R51-L522 VanDerWaalsContact NH2-C 3.3Å; R51-L522 PolarHBondContact NH2-O 2.89Å; R51-H523 PolarHBondContact NH1-O 2.73Å; R51-Q524 VanDerWaalsContact CD-OE1 3.25Å
52	T	95.3	Very high	87.4	Confident	1 Å²	1	67 Å²	67	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.2	-178.3	-167.4	0	0	0	0	113.4	L46 I54 Q519	L46-T52 HydrophobicContact CB-CG2 3.51Å; L46-T52 PolarHBondContact O-N 3.3Å; T52-I54 HydrophobicContact CG2-CG1 4.5Å; T52-Q519 CarbonylContact C-O 3.57Å; T52-Q519 WeakPolarHBondContact CA-O 3.4Å; T52-Q519 PolarHBondContact OG1-O 3.39Å
53	W	95.2	Very high	86.8	Confident	27 Å²	27	67.5 Å²	67.5	10%	0.102	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.1	164.2	-62.4	-81.4	0	0	0	109.9	N50 R91 V92 A518 Q519 R521	N50-W53 HydrophobicContact CB-CZ2 4.41Å; W53-R91 HydrophobicContact CB-CG 4.35Å; W53-R91 HydrophobicContact CD2-CG 4.43Å; W53-R91 HydrophobicContact CG-CG 3.96Å; W53-V92 HydrophobicContact CB-CG2 4.13Å; W53-V92 VanDerWaalsContact O-CG2 3.32Å; W53-V92 WeakPolarHBondContact O-CG2 3.49Å; W53-A518 CarbonylContact O-C 3.49Å; W53-A518 WeakPolarHBondContact O-CA 3.37Å; W53-Q519 HydrophobicContact CB-CB 4.49Å; W53-Q519 HydrophobicContact CE3-CB 4.43Å; W53-Q519 HydrophobicContact CE3-CG 4.01Å; W53-Q519 PolarHBondContact N-O 2.72Å; W53-Q519 PolarHBondContact O-N 2.87Å; W53-R521 HydrophobicContact CZ3-CG 4.44Å
54	I	93.9	Very high	86.2	Confident	22 Å²	22	65.3 Å²	65.3	11%	0.113	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.6	-174	-53.5	-170.6	0	0	0	111.1	H43 T52 Q56 N93 I490 F491 A518	H43-I54 VanDerWaalsContact CE1-CD1 3.4Å; H43-I54 WeakPolarHBondContact CE1-CD1 3.31Å; T52-I54 HydrophobicContact CG2-CG1 4.5Å; I54-Q56 HydrophobicContact CG2-CG 3.71Å; I54-N93 VanDerWaalsContact O-CB 3.26Å; I54-N93 WeakPolarHBondContact O-CB 3.5Å; I54-I490 WeakPolarHBondContact CD1-O 3.26Å; I54-F491 HydrophobicContact CD1-CD1 3.97Å; I54-F491 HydrophobicContact CD1-CE1 4.32Å; I54-F491 HydrophobicContact CG2-CD1 4.14Å; I54-F491 HydrophobicContact CG2-CE1 3.84Å; I54-A518 HydrophobicContact CG1-CB 4.09Å
55	F	94	Very high	86	Confident	9 Å²	9	61.3 Å²	61.3	4%	0.039	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.3	169.5	175.3	-103	0	0	0	110.1	L62 F85 L87 V92 Y96 G516 V517	F55-L62 HydrophobicContact CD1-CD2 3.64Å; F55-L62 HydrophobicContact CE1-CD1 3.76Å; F55-L62 HydrophobicContact CE1-CD2 3.71Å; F55-L62 HydrophobicContact CE1-CG 4.43Å; F55-F85 HydrophobicContact CE1-CB 4.42Å; F55-F85 AromaticContact CE1-CD1 3.86Å; F55-F85 HydrophobicContact CE1-CD1 3.86Å; F55-F85 HydrophobicContact CE1-CE1 4.25Å; F55-F85 HydrophobicContact CE1-CG 4.02Å; F55-F85 AromaticContact CZ-CD1 3.56Å; F55-F85 HydrophobicContact CZ-CD1 3.56Å; F55-F85 AromaticContact CZ-CE1 3.86Å; F55-F85 HydrophobicContact CZ-CE1 3.86Å; F55-F85 HydrophobicContact CZ-CG 4.19Å; F55-L87 HydrophobicContact CB-CD1 4.19Å; F55-L87 HydrophobicContact CD1-CD1 3.68Å; F55-L87 HydrophobicContact CD1-CD2 3.78Å; F55-L87 HydrophobicContact CD1-CG 4.4Å; F55-L87 HydrophobicContact CD2-CD2 4.12Å; F55-L87 HydrophobicContact CE1-CD1 4.32Å; F55-L87 HydrophobicContact CE1-CD2 3.72Å; F55-L87 HydrophobicContact CE2-CD2 4.07Å; F55-L87 HydrophobicContact CG-CD1 4Å; F55-L87 HydrophobicContact CG-CD2 3.97Å; F55-L87 HydrophobicContact CZ-CD2 3.88Å; F55-V92 HydrophobicContact CB-CG2 4.42Å; F55-Y96 HydrophobicContact CD2-CD1 4.41Å; F55-Y96 AromaticContact CE2-CD1 3.64Å; F55-Y96 HydrophobicContact CE2-CD1 3.64Å; F55-Y96 HydrophobicContact CE2-CD2 4.06Å; F55-Y96 AromaticContact CE2-CE1 3.89Å; F55-Y96 HydrophobicContact CE2-CE1 3.89Å; F55-Y96 HydrophobicContact CE2-CE2 4.28Å; F55-Y96 AromaticContact CE2-CG 3.74Å; F55-Y96 HydrophobicContact CE2-CG 3.74Å; F55-Y96 HydrophobicContact CZ-CD1 4.46Å; F55-Y96 HydrophobicContact CZ-CD2 4.08Å; F55-Y96 HydrophobicContact CZ-CE2 4.28Å; F55-Y96 HydrophobicContact CZ-CG 4.19Å; F55-G516 CarbonylContact O-C 3.5Å; F55-G516 WeakPolarHBondContact O-CA 3.13Å; F55-V517 PolarHBondContact N-O 2.97Å; F55-V517 PolarHBondContact O-N 2.74Å
56	Q	88.8	Confident	86	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	30%	0.304	S	S	.	.			trans	-120.2	3.5	-176.8	-56.8	-171.8	-73.2	0	0	114	I54 V515	I54-Q56 HydrophobicContact CG2-CG 3.71Å; Q56-V515 PolarHBondContact NE2-O 2.94Å
57	G	74.3	Confident	86.1	Confident	25 Å²	25	58.7 Å²	58.7	26%	0.258	31%	0.306	S	S	.	.			trans	69.3	175.5	-169.5	0	0	0	0	0	113
58	R	73.9	Confident	86.3	Confident	209 Å²	209	54 Å²	54	79%	0.789	29%	0.29	S	S	*	.	S	Bend	trans	-94.9	122.5	175.8	-71.9	-177.5	-174.4	-164.4	-0.2	110.1	M60 Y96	R58-M60 VanDerWaalsContact C-N 3.26Å; R58-M60 PolarHBondContact O-N 3.45Å; R58-Y96 WeakPolarHBondContact CD-OH 3.45Å; R58-Y96 WeakPolarHBondContact CG-OH 3.42Å; R58-Y96 PolarHBondContact NE-OH 2.87Å; R58-Y96 VanDerWaalsContact NE-OH 3.07Å
59	G	61.6	Low	86.4	Confident	88 Å²	88	50.5 Å²	50.5	91%	0.907	28%	0.275	S	S	*	.	S	Bend	trans	77.1	-23	162.9	0	0	0	0	0	117.7
60	M	63.1	Low	86.5	Confident	147 Å²	147	48.9 Å²	48.9	72%	0.724	27%	0.265	S	S	*	.	S	Bend	trans	-133.7	152.6	-179.3	-69.4	-67.2	-74.7	0	0	111.4	R58 L62	R58-M60 VanDerWaalsContact C-N 3.26Å; R58-M60 PolarHBondContact O-N 3.45Å; M60-L62 PolarHBondContact O-N 2.99Å
61	P	73.6	Confident	86.4	Confident	78 Å²	78	47.1 Å²	47.1	51%	0.506	25%	0.253	S	S	.	.			trans	-56	130.3	172.5	-21.8	32.4	0	0	0	110.9	Q63	P61-Q63 HydrophobicContact CB-CG 4.24Å; P61-Q63 PolarHBondContact O-N 2.65Å
62	L	77.9	Confident	86.2	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.042	27%	0.268	C	S	.	.			trans	-62.3	-31.9	-175.1	-172.5	64.7	0	0	0	112.6	F55 M60 P64 A80 F85 V517	F55-L62 HydrophobicContact CD1-CD2 3.64Å; F55-L62 HydrophobicContact CE1-CD1 3.76Å; F55-L62 HydrophobicContact CE1-CD2 3.71Å; F55-L62 HydrophobicContact CE1-CG 4.43Å; M60-L62 PolarHBondContact O-N 2.99Å; L62-P64 HydrophobicContact CB-CG 4.27Å; L62-P64 HydrophobicContact CD2-CG 3.77Å; L62-P64 HydrophobicContact CG-CG 3.9Å; L62-A80 HydrophobicContact CD1-CB 4.27Å; L62-A80 HydrophobicContact CG-CB 4.46Å; L62-A80 WeakPolarHBondContact O-CB 3.24Å; L62-F85 HydrophobicContact CD1-CD2 3.66Å; L62-F85 HydrophobicContact CD1-CE1 4.2Å; L62-F85 HydrophobicContact CD1-CE2 3.18Å; L62-F85 HydrophobicContact CD1-CG 4.36Å; L62-F85 HydrophobicContact CD1-CZ 3.49Å; L62-F85 VanDerWaalsContact CD1-CZ 3.49Å; L62-F85 HydrophobicContact CG-CE2 4.48Å; L62-V517 HydrophobicContact CD2-CG2 3.87Å
63	Q	82.7	Confident	86	Confident	55 Å²	55	50.1 Å²	50.1	26%	0.257	27%	0.272	S	S	.	.			trans	42.2	55.2	-174.8	-60.1	-173.6	3.1	0	0	113.9	P61 Q65 K81 E514	P61-Q63 HydrophobicContact CB-CG 4.24Å; P61-Q63 PolarHBondContact O-N 2.65Å; Q63-Q65 PolarHBondContact O-N 2.9Å; Q63-Q65 PolarHBondContact O-NE2 3.22Å; Q63-Q65 VanDerWaalsContact O-NE2 3.14Å; Q63-K81 HydrophobicContact CB-CB 4.28Å; Q63-E514 HydrophobicContact CG-CB 4.45Å; Q63-E514 PolarHBondContact N-O 3.41Å
64	P	82.1	Confident	85.9	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.019	28%	0.283	C	S	.	.			trans	-53.8	134.3	173.9	-18.2	32.3	0	0	0	110.5	L62 V78 S513 V517	L62-P64 HydrophobicContact CB-CG 4.27Å; L62-P64 HydrophobicContact CD2-CG 3.77Å; L62-P64 HydrophobicContact CG-CG 3.9Å; P64-V78 HydrophobicContact CB-CG1 3.97Å; P64-V78 HydrophobicContact CG-CG1 4.39Å; P64-S513 WeakPolarHBondContact CD-O 3.39Å; P64-S513 VanDerWaalsContact CG-O 3.32Å; P64-S513 WeakPolarHBondContact CG-O 3.25Å; P64-V517 HydrophobicContact CB-CG2 4.41Å; P64-V517 HydrophobicContact CG-CG2 3.89Å
65	Q	90.2	Very high	85.9	Confident	45 Å²	45	52.3 Å²	52.3	21%	0.21	28%	0.282	C	S	.	.			trans	-112	-32	179.1	-63.4	-58	-49	0	0	111.3	Q63 G79 Y124 I125 K126	Q63-Q65 PolarHBondContact O-N 2.9Å; Q63-Q65 PolarHBondContact O-NE2 3.22Å; Q63-Q65 VanDerWaalsContact O-NE2 3.14Å; Q65-G79 PolarHBondContact N-O 3.02Å; Q65-Y124 HydrophobicContact CG-CD1 4.21Å; Q65-I125 WeakPolarHBondContact CB-O 3.49Å; Q65-K126 HydrophobicContact CB-CD 4.36Å
66	T	95.5	Very high	86.1	Confident	21 Å²	21	51.9 Å²	51.9	13%	0.129	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	149.8	178	-177.7	0	0	0	0	110.2	G79 I125 L128 E499	T66-G79 PolarHBondContact N-O 2.76Å; T66-G79 PolarHBondContact O-N 3.09Å; T66-I125 HydrophobicContact CG2-CG2 4.4Å; T66-L128 HydrophobicContact CG2-CB 3.64Å; T66-L128 HydrophobicContact CG2-CD2 4.45Å; T66-E499 WeakPolarHBondContact CA-OE2 3.43Å
67	M	97.4	Very high	86.5	Confident	7 Å²	7	46.7 Å²	46.7	3%	0.034	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.7	177.8	-64.2	-172.7	-66	0	0	110.5	L76 Y77 V78 E499 I501 V517	M67-L76 HydrophobicContact CB-CD1 4.29Å; M67-L76 HydrophobicContact SD-CD2 4.24Å; M67-Y77 CarbonylContact C-O 3.5Å; M67-Y77 WeakPolarHBondContact CA-O 3.49Å; M67-V78 HydrophobicContact CG-CG1 4.26Å; M67-V78 HydrophobicContact CG-CG2 4.26Å; M67-E499 WeakPolarHBondContact CB-OE2 3.26Å; M67-E499 HydrophobicContact CE-CB 3.86Å; M67-E499 HydrophobicContact CE-CG 3.82Å; M67-E499 WeakPolarHBondContact CG-OE2 3.47Å; M67-E499 PolarHBondContact N-OE1 2.96Å; M67-E499 PolarHBondContact N-OE2 3.22Å; M67-I501 HydrophobicContact CB-CD1 3.52Å; M67-I501 HydrophobicContact CE-CD1 4.46Å; M67-I501 HydrophobicContact CE-CG1 4.41Å; M67-I501 WeakPolarHBondContact O-CD1 3.47Å; M67-V517 HydrophobicContact SD-CB 4.5Å; M67-V517 HydrophobicContact SD-CG1 3.86Å; M67-V517 HydrophobicContact SD-CG2 3.79Å
68	L	97.5	Very high	87.6	Confident	31 Å²	31	45.5 Å²	45.5	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.8	176.5	179.1	70.3	0	0	0	110	D70 Y77 L128 K130 L136	L68-D70 PolarHBondContact O-N 3.34Å; L68-Y77 HydrophobicContact CD2-CD2 4.48Å; L68-Y77 PolarHBondContact N-O 2.9Å; L68-Y77 PolarHBondContact O-N 2.93Å; L68-L128 HydrophobicContact CB-CD2 3.84Å; L68-L128 HydrophobicContact CB-CG 3.8Å; L68-L128 HydrophobicContact CD2-CG 4.24Å; L68-K130 HydrophobicContact CD2-CB 4.32Å; L68-L136 HydrophobicContact CD2-CD2 3.89Å
69	L	96.9	Very high	88.7	Confident	39 Å²	39	35.5 Å²	35.5	20%	0.204	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.2	175.1	175.6	65.8	0	0	0	110.4	E71 L76 L89 I501 Y510	L69-E71 HydrophobicContact CD1-CG 4.27Å; L69-E71 HydrophobicContact CD2-CG 4.13Å; L69-E71 HydrophobicContact CG-CG 4.04Å; L69-L76 HydrophobicContact CB-CD1 4.28Å; L69-L89 HydrophobicContact CD1-CD1 3.67Å; L69-L89 HydrophobicContact CD1-CD2 3.53Å; L69-L89 HydrophobicContact CD1-CG 4.28Å; L69-I501 HydrophobicContact CB-CG2 3.77Å; L69-I501 HydrophobicContact CD2-CG2 3.91Å; L69-I501 HydrophobicContact CG-CG2 4.46Å; L69-Y510 HydrophobicContact CD1-CD2 4.22Å; L69-Y510 HydrophobicContact CD1-CE2 3.72Å; L69-Y510 HydrophobicContact CD2-CE2 4.44Å
70	D	94.6	Very high	90.3	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	90.1	169.9	-167	-20.6	0	0	0	111	L68 S72 H73 Q74 R75 Y77 K130	L68-D70 PolarHBondContact O-N 3.34Å; D70-S72 PolarHBondContact O-N 3.07Å; D70-S72 WeakPolarHBondContact OD1-CA 3.46Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.26Å; D70-S72 PolarHBondContact OD1-OG 3.29Å; D70-H73 PolarHBondContact O-N 3.46Å; D70-H73 PolarHBondContact OD1-N 3.3Å; D70-H73 IonicContact OD1-ND1 2.99Å; D70-H73 IonicContact OD2-CE1 3.59Å; D70-H73 IonicContact OD2-CG 2.7Å; D70-H73 IonicContact OD2-ND1 3.03Å; D70-H73 PolarHBondContact OD2-ND1 3.26Å; D70-Q74 PolarHBondContact O-N 2.95Å; D70-R75 CarbonylContact C-O 3.6Å; D70-R75 WeakPolarHBondContact CA-O 3.32Å; D70-R75 PolarHBondContact N-O 2.64Å; D70-R75 PolarHBondContact O-N 3.49Å; D70-Y77 HydrophobicContact CB-CD2 4.19Å; D70-Y77 HydrophobicContact CB-CE2 3.71Å; D70-K130 IonicContact OD1-NZ 3.17Å; D70-K130 PolarHBondContact OD1-NZ 3.09Å; D70-K130 IonicContact OD2-NZ 2.7Å; D70-K130 PolarHBondContact OD2-NZ 3.02Å
71	E	92.6	Very high	91.8	Very high	52 Å²	52	27 Å²	27	24%	0.243	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24	175.5	-59.5	-167.6	139.7	0	0	113.1	L69 Q74 S503 K505	L69-E71 HydrophobicContact CD1-CG 4.27Å; L69-E71 HydrophobicContact CD2-CG 4.13Å; L69-E71 HydrophobicContact CG-CG 4.04Å; E71-Q74 PolarHBondContact O-N 2.83Å; E71-Q74 PolarHBondContact O-NE2 3.44Å; E71-S503 PolarHBondContact OE1-OG 2.65Å; E71-K505 WeakPolarHBondContact OE2-CD 3.42Å
72	S	90.1	Very high	92.8	Very high	44 Å²	44	25.5 Å²	25.5	31%	0.308	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-38.4	-179.6	72.3	0	0	0	0	111.6	D70 K130 K156	D70-S72 PolarHBondContact O-N 3.07Å; D70-S72 WeakPolarHBondContact OD1-CA 3.46Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.42Å; D70-S72 PolarHBondContact OD1-N 3.26Å; D70-S72 PolarHBondContact OD1-OG 3.29Å; S72-K130 PolarHBondContact OG-NZ 3.08Å; S72-K130 VanDerWaalsContact OG-NZ 3.09Å; S72-K156 WeakPolarHBondContact O-CG 3.32Å
73	H	90.9	Very high	93.6	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.2	175.2	-68.9	99.6	0	0	0	113.9	D70 R75 Q133 G154 K156	D70-H73 PolarHBondContact O-N 3.46Å; D70-H73 PolarHBondContact OD1-N 3.3Å; D70-H73 IonicContact OD1-ND1 2.99Å; D70-H73 IonicContact OD2-CE1 3.59Å; D70-H73 IonicContact OD2-CG 2.7Å; D70-H73 IonicContact OD2-ND1 3.03Å; D70-H73 PolarHBondContact OD2-ND1 3.26Å; H73-R75 HydrophobicContact CB-CB 4.48Å; H73-R75 HydrophobicContact CB-CG 4.25Å; H73-R75 WeakPolarHBondContact O-CG 3.33Å; H73-R75 PolarHBondContact O-N 2.73Å; H73-Q133 PolarHBondContact CE1-O 3.26Å; H73-G154 PolarHBondContact NE2-O 3.3Å; H73-K156 PolarHBondContact NE2-N 2.76Å
74	Q	92.6	Very high	94.2	Very high	69 Å²	69	22.9 Å²	22.9	32%	0.322	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	34.1	-174.8	-51.9	-74.5	-71.7	0	0	112.2	D70 E71 L89	D70-Q74 PolarHBondContact O-N 2.95Å; E71-Q74 PolarHBondContact O-N 2.83Å; E71-Q74 PolarHBondContact O-NE2 3.44Å; Q74-L89 VanDerWaalsContact C-CG 3.44Å; Q74-L89 WeakPolarHBondContact O-CG 3.3Å; Q74-L89 PolarHBondContact O-N 2.6Å; Q74-L89 VanDerWaalsContact O-N 3.1Å
75	R	94.3	Very high	94.9	Very high	27 Å²	27	23.2 Å²	23.2	10%	0.102	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.7	-176.8	-62.6	-60.8	-177.2	163.6	-0.5	112.6	D70 H73 Y77 S86 L87 H95	D70-R75 CarbonylContact C-O 3.6Å; D70-R75 WeakPolarHBondContact CA-O 3.32Å; D70-R75 PolarHBondContact N-O 2.64Å; D70-R75 PolarHBondContact O-N 3.49Å; H73-R75 HydrophobicContact CB-CB 4.48Å; H73-R75 HydrophobicContact CB-CG 4.25Å; H73-R75 WeakPolarHBondContact O-CG 3.33Å; H73-R75 PolarHBondContact O-N 2.73Å; R75-Y77 HydrophobicContact CB-CE1 4.17Å; R75-Y77 HydrophobicContact CB-CE2 4.01Å; R75-S86 WeakPolarHBondContact CD-OG 3.27Å; R75-L87 CarbonylContact C-O 3.57Å; R75-L87 VanDerWaalsContact CA-O 3.24Å; R75-L87 WeakPolarHBondContact CA-O 3.45Å; R75-L87 WeakPolarHBondContact CD-O 3.37Å; R75-H95 PolarHBondContact NH1-O 3.22Å
76	L	96.9	Very high	95.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.6	160.2	-178.6	70.1	0	0	0	107.2	M67 L69 V78 L87 L89 Y510 V517	M67-L76 HydrophobicContact CB-CD1 4.29Å; M67-L76 HydrophobicContact SD-CD2 4.24Å; L69-L76 HydrophobicContact CB-CD1 4.28Å; L76-V78 HydrophobicContact CD2-CG2 4.31Å; L76-V78 HydrophobicContact CG-CG2 4.2Å; L76-L87 HydrophobicContact CB-CB 4.31Å; L76-L87 HydrophobicContact CD2-CD1 4.4Å; L76-L87 PolarHBondContact N-O 3.34Å; L76-L87 PolarHBondContact O-N 2.88Å; L76-L89 HydrophobicContact CB-CD2 3.64Å; L76-Y510 HydrophobicContact CD1-CG 4.37Å; L76-Y510 HydrophobicContact CD2-CD1 3.73Å; L76-Y510 HydrophobicContact CD2-CG 3.94Å; L76-V517 HydrophobicContact CD2-CG1 3.75Å
77	Y	97.5	Very high	95.1	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.3	173.4	-58.2	-75.7	0	0	0	109.4	M67 L68 D70 R75 F85 S86 L136 V153 F162	M67-Y77 CarbonylContact C-O 3.5Å; M67-Y77 WeakPolarHBondContact CA-O 3.49Å; L68-Y77 HydrophobicContact CD2-CD2 4.48Å; L68-Y77 PolarHBondContact N-O 2.9Å; L68-Y77 PolarHBondContact O-N 2.93Å; D70-Y77 HydrophobicContact CB-CD2 4.19Å; D70-Y77 HydrophobicContact CB-CE2 3.71Å; R75-Y77 HydrophobicContact CB-CE1 4.17Å; R75-Y77 HydrophobicContact CB-CE2 4.01Å; Y77-F85 CarbonylContact C-O 3.5Å; Y77-F85 VanDerWaalsContact CA-O 3.26Å; Y77-F85 WeakPolarHBondContact CA-O 3.23Å; Y77-S86 WeakPolarHBondContact CE1-OG 3.31Å; Y77-L136 HydrophobicContact CD1-CD1 3.67Å; Y77-L136 HydrophobicContact CD2-CD1 3.74Å; Y77-L136 HydrophobicContact CD2-CD2 4.32Å; Y77-L136 HydrophobicContact CE1-CD1 3.89Å; Y77-L136 HydrophobicContact CE2-CD1 3.96Å; Y77-L136 HydrophobicContact CE2-CD2 4.23Å; Y77-L136 HydrophobicContact CG-CD1 3.59Å; Y77-V153 HydrophobicContact CE1-CG1 3.7Å; Y77-V153 WeakPolarHBondContact OH-CB 3.46Å; Y77-V153 VanDerWaalsContact OH-CG1 3.31Å; Y77-V153 WeakPolarHBondContact OH-CG1 3.29Å; Y77-F162 HydrophobicContact CD1-CD2 4.38Å; Y77-F162 AromaticContact CD1-CE2 3.61Å; Y77-F162 HydrophobicContact CD1-CE2 3.61Å; Y77-F162 HydrophobicContact CD1-CZ 4.18Å; Y77-F162 HydrophobicContact CE1-CD2 4.02Å; Y77-F162 AromaticContact CE1-CE2 3.69Å; Y77-F162 HydrophobicContact CE1-CE2 3.69Å
78	V	97.5	Very high	95	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.1	-177.1	-174.9	0	0	0	0	109.2	P64 M67 L76 L84 F85 L87 V517	P64-V78 HydrophobicContact CB-CG1 3.97Å; P64-V78 HydrophobicContact CG-CG1 4.39Å; M67-V78 HydrophobicContact CG-CG1 4.26Å; M67-V78 HydrophobicContact CG-CG2 4.26Å; L76-V78 HydrophobicContact CD2-CG2 4.31Å; L76-V78 HydrophobicContact CG-CG2 4.2Å; V78-L84 WeakPolarHBondContact O-CA 3.43Å; V78-F85 HydrophobicContact CB-CB 4.22Å; V78-F85 PolarHBondContact N-O 3.29Å; V78-F85 PolarHBondContact O-N 2.88Å; V78-L87 HydrophobicContact CG2-CD1 3.79Å; V78-L87 HydrophobicContact CG2-CG 4.16Å; V78-V517 HydrophobicContact CG1-CG2 4.1Å; V78-V517 HydrophobicContact CG2-CG2 4.11Å
79	G	96.9	Very high	94.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.3	167.9	0	0	0	0	0	110.2	Q65 T66	Q65-G79 PolarHBondContact N-O 3.02Å; T66-G79 PolarHBondContact N-O 2.76Å; T66-G79 PolarHBondContact O-N 3.09Å
80	A	95.4	Very high	94.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	-177.4	-174	0	0	0	0	0	110.8	L62 N82 A83 F85 I125	L62-A80 HydrophobicContact CD1-CB 4.27Å; L62-A80 HydrophobicContact CG-CB 4.46Å; L62-A80 WeakPolarHBondContact O-CB 3.24Å; A80-N82 PolarHBondContact O-N 3.27Å; A80-A83 PolarHBondContact N-O 2.92Å; A80-F85 HydrophobicContact CB-CD2 4.16Å; A80-F85 HydrophobicContact CB-CE2 3.77Å; A80-I125 WeakPolarHBondContact O-CG1 3.36Å; A80-I125 PolarHBondContact O-N 3.15Å
81	K	94.5	Very high	94.6	Very high	56 Å²	56	28.9 Å²	28.9	24%	0.243	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-66.5	122.3	168	-177.1	177	-176.1	158.9	0	110	Q63 A83 P119 A122 Y124	Q63-K81 HydrophobicContact CB-CB 4.28Å; K81-A83 PolarHBondContact O-N 3.17Å; K81-P119 PolarHBondContact NZ-O 3.46Å; K81-A122 HydrophobicContact CD-CB 4.37Å; K81-A122 VanDerWaalsContact CE-CB 3.42Å; K81-A122 HydrophobicContact CG-CB 4.1Å; K81-Y124 HydrophobicContact CB-CD1 4.01Å; K81-Y124 HydrophobicContact CB-CE1 3.87Å; K81-Y124 HydrophobicContact CD-CE1 3.75Å; K81-Y124 WeakPolarHBondContact CE-OH 3.28Å; K81-Y124 HydrophobicContact CG-CD1 4.2Å; K81-Y124 HydrophobicContact CG-CE1 3.79Å; K81-Y124 PolarHBondContact NZ-OH 2.7Å
82	N	94.6	Very high	94.7	Very high	46 Å²	46	26.4 Å²	26.4	25%	0.246	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	10.3	176.5	-65	-29.3	0	0	0	115.9	A80 W101 A102 N123	A80-N82 PolarHBondContact O-N 3.27Å; N82-W101 CarbonylContact O-C 3.26Å; N82-W101 PolarHBondContact O-N 3.18Å; N82-A102 HydrophobicContact CB-CB 3.81Å; N82-A102 PolarHBondContact O-N 3Å; N82-N123 WeakPolarHBondContact CA-O 3.4Å; N82-N123 PolarHBondContact N-O 3.2Å; N82-N123 PolarHBondContact OD1-N 3.3Å
83	A	94.8	Very high	94.7	Very high	5 Å²	5	27 Å²	27	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	156.1	-173.2	0	0	0	0	0	113.6	A80 K81 F85 I99	A80-A83 PolarHBondContact N-O 2.92Å; K81-A83 PolarHBondContact O-N 3.17Å; A83-F85 HydrophobicContact CB-CE2 3.63Å; A83-F85 HydrophobicContact CB-CZ 3.82Å; A83-I99 CarbonylContact C-O 3.5Å; A83-I99 WeakPolarHBondContact CA-O 3.18Å; A83-I99 WeakPolarHBondContact CB-O 3.39Å
84	L	96.1	Very high	94.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.5	167.3	-65.6	158.3	0	0	0	109.6	V78 Q98 I99 W101 I125 L128 V138 V151 F162	V78-L84 WeakPolarHBondContact O-CA 3.43Å; L84-Q98 CarbonylContact O-C 3.53Å; L84-Q98 VanDerWaalsContact O-CA 3.31Å; L84-Q98 WeakPolarHBondContact O-CA 3.45Å; L84-I99 HydrophobicContact CB-CB 4.21Å; L84-I99 HydrophobicContact CD1-CD1 4.28Å; L84-I99 HydrophobicContact CD1-CG2 4.48Å; L84-I99 PolarHBondContact N-O 3.04Å; L84-I99 PolarHBondContact O-N 3.42Å; L84-W101 HydrophobicContact CD1-CE3 4.14Å; L84-I125 HydrophobicContact CD2-CB 4.49Å; L84-I125 HydrophobicContact CD2-CG1 4.08Å; L84-I125 HydrophobicContact CD2-CG2 3.91Å; L84-I125 HydrophobicContact CG-CG1 4.36Å; L84-L128 HydrophobicContact CD2-CD1 4.42Å; L84-V138 HydrophobicContact CD1-CB 4.47Å; L84-V138 HydrophobicContact CD1-CG1 3.97Å; L84-V138 HydrophobicContact CD1-CG2 4.23Å; L84-V138 HydrophobicContact CD2-CG1 3.61Å; L84-V138 HydrophobicContact CD2-CG2 4.43Å; L84-V138 HydrophobicContact CG-CG1 4.29Å; L84-V151 HydrophobicContact CD1-CG2 3.89Å; L84-F162 HydrophobicContact CB-CE1 4.29Å; L84-F162 HydrophobicContact CB-CZ 3.92Å
85	F	95.6	Very high	94.3	Very high	10 Å²	10	31.8 Å²	31.8	4%	0.044	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.9	176.5	-57.1	-93.3	0	0	0	111.2	F55 L62 Y77 V78 A80 A83 L87 Y96 R97 Q98	F55-F85 HydrophobicContact CE1-CB 4.42Å; F55-F85 AromaticContact CE1-CD1 3.86Å; F55-F85 HydrophobicContact CE1-CD1 3.86Å; F55-F85 HydrophobicContact CE1-CE1 4.25Å; F55-F85 HydrophobicContact CE1-CG 4.02Å; F55-F85 AromaticContact CZ-CD1 3.56Å; F55-F85 HydrophobicContact CZ-CD1 3.56Å; F55-F85 AromaticContact CZ-CE1 3.86Å; F55-F85 HydrophobicContact CZ-CE1 3.86Å; F55-F85 HydrophobicContact CZ-CG 4.19Å; L62-F85 HydrophobicContact CD1-CD2 3.66Å; L62-F85 HydrophobicContact CD1-CE1 4.2Å; L62-F85 HydrophobicContact CD1-CE2 3.18Å; L62-F85 HydrophobicContact CD1-CG 4.36Å; L62-F85 HydrophobicContact CD1-CZ 3.49Å; L62-F85 VanDerWaalsContact CD1-CZ 3.49Å; L62-F85 HydrophobicContact CG-CE2 4.48Å; Y77-F85 CarbonylContact C-O 3.5Å; Y77-F85 VanDerWaalsContact CA-O 3.26Å; Y77-F85 WeakPolarHBondContact CA-O 3.23Å; V78-F85 HydrophobicContact CB-CB 4.22Å; V78-F85 PolarHBondContact N-O 3.29Å; V78-F85 PolarHBondContact O-N 2.88Å; A80-F85 HydrophobicContact CB-CD2 4.16Å; A80-F85 HydrophobicContact CB-CE2 3.77Å; A83-F85 HydrophobicContact CB-CE2 3.63Å; A83-F85 HydrophobicContact CB-CZ 3.82Å; F85-L87 HydrophobicContact CB-CD2 3.9Å; F85-L87 HydrophobicContact CB-CG 4.42Å; F85-Y96 HydrophobicContact CD1-CD2 4.04Å; F85-Y96 HydrophobicContact CD1-CE2 4.22Å; F85-Y96 HydrophobicContact CE1-CE2 4.33Å; F85-R97 CarbonylContact C-O 3.54Å; F85-R97 WeakPolarHBondContact CA-O 3.49Å; F85-Q98 HydrophobicContact CD1-CB 4.05Å; F85-Q98 HydrophobicContact CD1-CG 4.1Å; F85-Q98 HydrophobicContact CE1-CB 4.04Å; F85-Q98 HydrophobicContact CE1-CG 3.68Å; F85-Q98 HydrophobicContact CZ-CG 4.19Å
86	S	95.6	Very high	94.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	103.3	168.4	177.7	0	0	0	0	107.9	R75 Y77 Y96 R97	R75-S86 WeakPolarHBondContact CD-OG 3.27Å; Y77-S86 WeakPolarHBondContact CE1-OG 3.31Å; S86-Y96 WeakPolarHBondContact O-CA 3.29Å; S86-R97 PolarHBondContact N-O 2.9Å; S86-R97 PolarHBondContact O-N 2.91Å
87	L	95.4	Very high	94	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	145	-177	-48	-174.7	0	0	0	109.9	F55 R75 L76 V78 F85 V92 Y96 V517	F55-L87 HydrophobicContact CB-CD1 4.19Å; F55-L87 HydrophobicContact CD1-CD1 3.68Å; F55-L87 HydrophobicContact CD1-CD2 3.78Å; F55-L87 HydrophobicContact CD1-CG 4.4Å; F55-L87 HydrophobicContact CD2-CD2 4.12Å; F55-L87 HydrophobicContact CE1-CD1 4.32Å; F55-L87 HydrophobicContact CE1-CD2 3.72Å; F55-L87 HydrophobicContact CE2-CD2 4.07Å; F55-L87 HydrophobicContact CG-CD1 4Å; F55-L87 HydrophobicContact CG-CD2 3.97Å; F55-L87 HydrophobicContact CZ-CD2 3.88Å; R75-L87 CarbonylContact C-O 3.57Å; R75-L87 VanDerWaalsContact CA-O 3.24Å; R75-L87 WeakPolarHBondContact CA-O 3.45Å; R75-L87 WeakPolarHBondContact CD-O 3.37Å; L76-L87 HydrophobicContact CB-CB 4.31Å; L76-L87 HydrophobicContact CD2-CD1 4.4Å; L76-L87 PolarHBondContact N-O 3.34Å; L76-L87 PolarHBondContact O-N 2.88Å; V78-L87 HydrophobicContact CG2-CD1 3.79Å; V78-L87 HydrophobicContact CG2-CG 4.16Å; F85-L87 HydrophobicContact CB-CD2 3.9Å; F85-L87 HydrophobicContact CB-CG 4.42Å; L87-V92 HydrophobicContact CB-CB 4.34Å; L87-V92 HydrophobicContact CB-CG1 4.41Å; L87-V92 HydrophobicContact CD1-CB 4.2Å; L87-Y96 HydrophobicContact CD2-CG 4.48Å; L87-V517 HydrophobicContact CD1-CB 4.37Å; L87-V517 HydrophobicContact CD1-CG1 4.35Å
88	N	93.8	Very high	93.8	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.5	176.1	-173	-35.4	0	0	0	110.3	D90 R91 V92	N88-D90 VanDerWaalsContact C-N 3.28Å; N88-D90 PolarHBondContact O-N 3.33Å; N88-D90 WeakPolarHBondContact OD1-CB 3.48Å; N88-D90 PolarHBondContact OD1-N 2.84Å; N88-R91 CarbonylContact O-C 3.47Å; N88-R91 PolarHBondContact O-N 3.34Å; N88-V92 WeakPolarHBondContact O-CA 3.48Å; N88-V92 PolarHBondContact O-N 3.17Å; N88-V92 VanDerWaalsContact O-N 3.16Å
89	L	94.8	Very high	93.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-71	-17.4	179.4	-64.3	-178.8	0	0	0	114.5	L69 Q74 L76 Y510 Q519	L69-L89 HydrophobicContact CD1-CD1 3.67Å; L69-L89 HydrophobicContact CD1-CD2 3.53Å; L69-L89 HydrophobicContact CD1-CG 4.28Å; Q74-L89 VanDerWaalsContact C-CG 3.44Å; Q74-L89 WeakPolarHBondContact O-CG 3.3Å; Q74-L89 PolarHBondContact O-N 2.6Å; Q74-L89 VanDerWaalsContact O-N 3.1Å; L76-L89 HydrophobicContact CB-CD2 3.64Å; L89-Y510 HydrophobicContact CD2-CE1 3.87Å; L89-Y510 HydrophobicContact CD2-CE2 4.18Å; L89-Y510 WeakPolarHBondContact CD2-OH 3.46Å; L89-Q519 PolarHBondContact O-NE2 3.2Å
90	D	93.6	Very high	93.5	Very high	103 Å²	103	47.3 Å²	47.3	55%	0.551	23%	0.227	S	C	*	.	S	Bend	trans	-74.4	-39.3	174	-62.7	-26.1	0	0	0	110.8	N88 R506	N88-D90 VanDerWaalsContact C-N 3.28Å; N88-D90 PolarHBondContact O-N 3.33Å; N88-D90 WeakPolarHBondContact OD1-CB 3.48Å; N88-D90 PolarHBondContact OD1-N 2.84Å; D90-R506 IonicContact OD1-NH1 3.72Å; D90-R506 PolarHBondContact OD1-NH1 2.98Å; D90-R506 VanDerWaalsContact OD1-NH1 3.16Å
91	R	92.9	Very high	93.5	Very high	128 Å²	128	48.8 Å²	48.8	48%	0.483	23%	0.232	S	C	.	.			trans	-154	109.2	172	-164	-175	-70.1	-173.7	-3.5	110.8	W53 N88 N93 A94	W53-R91 HydrophobicContact CB-CG 4.35Å; W53-R91 HydrophobicContact CD2-CG 4.43Å; W53-R91 HydrophobicContact CG-CG 3.96Å; N88-R91 CarbonylContact O-C 3.47Å; N88-R91 PolarHBondContact O-N 3.34Å; R91-N93 WeakPolarHBondContact CD-OD1 3.42Å; R91-N93 WeakPolarHBondContact CG-OD1 3.32Å; R91-N93 PolarHBondContact O-N 3.44Å; R91-N93 VanDerWaalsContact O-N 3.1Å; R91-A94 HydrophobicContact CB-CB 4.14Å; R91-A94 HydrophobicContact CG-CB 4.37Å; R91-A94 PolarHBondContact O-N 3.02Å
92	V	94.2	Very high	93.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.3	-173.9	-69.5	0	0	0	0	114.8	W53 F55 L87 N88 Y510 Q519	W53-V92 HydrophobicContact CB-CG2 4.13Å; W53-V92 VanDerWaalsContact O-CG2 3.32Å; W53-V92 WeakPolarHBondContact O-CG2 3.49Å; F55-V92 HydrophobicContact CB-CG2 4.42Å; L87-V92 HydrophobicContact CB-CB 4.34Å; L87-V92 HydrophobicContact CB-CG1 4.41Å; L87-V92 HydrophobicContact CD1-CB 4.2Å; N88-V92 WeakPolarHBondContact O-CA 3.48Å; N88-V92 PolarHBondContact O-N 3.17Å; N88-V92 VanDerWaalsContact O-N 3.16Å; V92-Y510 HydrophobicContact CG1-CD1 4.12Å; V92-Y510 HydrophobicContact CG1-CE1 4.01Å; V92-Q519 HydrophobicContact CB-CB 4.33Å; V92-Q519 HydrophobicContact CG1-CB 3.79Å; V92-Q519 HydrophobicContact CG1-CG 4.45Å; V92-Q519 HydrophobicContact CG2-CB 3.6Å; V92-Q519 VanDerWaalsContact N-OE1 3.12Å
93	N	91.3	Very high	93.6	Very high	57 Å²	57	47.2 Å²	47.2	31%	0.305	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	4.7	-180	73.9	-3	0	0	0	114.4	I54 R91	I54-N93 VanDerWaalsContact O-CB 3.26Å; I54-N93 WeakPolarHBondContact O-CB 3.5Å; R91-N93 WeakPolarHBondContact CD-OD1 3.42Å; R91-N93 WeakPolarHBondContact CG-OD1 3.32Å; R91-N93 PolarHBondContact O-N 3.44Å; R91-N93 VanDerWaalsContact O-N 3.1Å
94	A	90.6	Very high	93.7	Very high	25 Å²	25	50.8 Å²	50.8	21%	0.207	26%	0.257	C	S	.	.	S	Bend	trans	-116.1	140.6	-178.9	0	0	0	0	0	111.7	R91 Y96	R91-A94 HydrophobicContact CB-CB 4.14Å; R91-A94 HydrophobicContact CG-CB 4.37Å; R91-A94 PolarHBondContact O-N 3.02Å; A94-Y96 VanDerWaalsContact C-N 3.29Å; A94-Y96 PolarHBondContact O-N 3.28Å
95	H	84.3	Confident	93.7	Very high	163 Å²	163	57.3 Å²	57.3	76%	0.755	29%	0.287	S	S	*	.	S	Bend	trans	50.4	44.4	171.1	-54	78.7	0	0	0	114.1	R75	R75-H95 PolarHBondContact NH1-O 3.22Å
96	Y	91.5	Very high	93.7	Very high	57 Å²	57	63.5 Å²	63.5	22%	0.224	31%	0.314	C	S	.	.			trans	-77.9	156.2	176.7	76.5	-89.4	0	0	0	111.5	F55 R58 F85 S86 L87 A94 Q98	F55-Y96 HydrophobicContact CD2-CD1 4.41Å; F55-Y96 AromaticContact CE2-CD1 3.64Å; F55-Y96 HydrophobicContact CE2-CD1 3.64Å; F55-Y96 HydrophobicContact CE2-CD2 4.06Å; F55-Y96 AromaticContact CE2-CE1 3.89Å; F55-Y96 HydrophobicContact CE2-CE1 3.89Å; F55-Y96 HydrophobicContact CE2-CE2 4.28Å; F55-Y96 AromaticContact CE2-CG 3.74Å; F55-Y96 HydrophobicContact CE2-CG 3.74Å; F55-Y96 HydrophobicContact CZ-CD1 4.46Å; F55-Y96 HydrophobicContact CZ-CD2 4.08Å; F55-Y96 HydrophobicContact CZ-CE2 4.28Å; F55-Y96 HydrophobicContact CZ-CG 4.19Å; R58-Y96 WeakPolarHBondContact CD-OH 3.45Å; R58-Y96 WeakPolarHBondContact CG-OH 3.42Å; R58-Y96 PolarHBondContact NE-OH 2.87Å; R58-Y96 VanDerWaalsContact NE-OH 3.07Å; F85-Y96 HydrophobicContact CD1-CD2 4.04Å; F85-Y96 HydrophobicContact CD1-CE2 4.22Å; F85-Y96 HydrophobicContact CE1-CE2 4.33Å; S86-Y96 WeakPolarHBondContact O-CA 3.29Å; L87-Y96 HydrophobicContact CD2-CG 4.48Å; A94-Y96 VanDerWaalsContact C-N 3.29Å; A94-Y96 PolarHBondContact O-N 3.28Å; Y96-Q98 HydrophobicContact CD2-CB 4.41Å; Y96-Q98 HydrophobicContact CE2-CB 4.12Å
97	R	92.3	Very high	93.7	Very high	79 Å²	79	65.3 Å²	65.3	30%	0.298	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.3	169.2	-59.1	178.8	173.2	-153.2	3.9	110	F85 S86 T160 F162	F85-R97 CarbonylContact C-O 3.54Å; F85-R97 WeakPolarHBondContact CA-O 3.49Å; S86-R97 PolarHBondContact N-O 2.9Å; S86-R97 PolarHBondContact O-N 2.91Å; R97-T160 PolarHBondContact NE-OG1 2.85Å; R97-T160 VanDerWaalsContact NH1-C 3.34Å; R97-T160 PolarHBondContact NH1-O 2.85Å; R97-T160 PolarHBondContact NH2-O 3.42Å; R97-T160 PolarHBondContact NH2-OG1 2.94Å; R97-F162 HydrophobicContact CB-CB 4.31Å; R97-F162 HydrophobicContact CB-CD1 3.79Å; R97-F162 HydrophobicContact CB-CG 4.35Å
98	Q	93.4	Very high	93.8	Very high	81 Å²	81	66.7 Å²	66.7	38%	0.379	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.4	-175.9	177.1	176.7	-15.6	0	0	109.9	L84 F85 Y96 N100	L84-Q98 CarbonylContact O-C 3.53Å; L84-Q98 VanDerWaalsContact O-CA 3.31Å; L84-Q98 WeakPolarHBondContact O-CA 3.45Å; F85-Q98 HydrophobicContact CD1-CB 4.05Å; F85-Q98 HydrophobicContact CD1-CG 4.1Å; F85-Q98 HydrophobicContact CE1-CB 4.04Å; F85-Q98 HydrophobicContact CE1-CG 3.68Å; F85-Q98 HydrophobicContact CZ-CG 4.19Å; Y96-Q98 HydrophobicContact CD2-CB 4.41Å; Y96-Q98 HydrophobicContact CE2-CB 4.12Å; Q98-N100 PolarHBondContact NE2-OD1 3.22Å
99	I	95.1	Very high	93.9	Very high	17 Å²	17	69.9 Å²	69.9	9%	0.087	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	165.3	-66.2	166.3	0	0	0	106	A83 L84 W101 V151 F162 V164	A83-I99 CarbonylContact C-O 3.5Å; A83-I99 WeakPolarHBondContact CA-O 3.18Å; A83-I99 WeakPolarHBondContact CB-O 3.39Å; L84-I99 HydrophobicContact CB-CB 4.21Å; L84-I99 HydrophobicContact CD1-CD1 4.28Å; L84-I99 HydrophobicContact CD1-CG2 4.48Å; L84-I99 PolarHBondContact N-O 3.04Å; L84-I99 PolarHBondContact O-N 3.42Å; I99-W101 HydrophobicContact CG2-CB 4.35Å; I99-V151 HydrophobicContact CD1-CG1 3.71Å; I99-V151 HydrophobicContact CD1-CG2 4.47Å; I99-F162 HydrophobicContact CB-CE1 4.39Å; I99-F162 HydrophobicContact CD1-CD1 3.71Å; I99-F162 HydrophobicContact CD1-CD2 4.22Å; I99-F162 HydrophobicContact CD1-CE1 3.67Å; I99-F162 HydrophobicContact CD1-CE2 4.18Å; I99-F162 HydrophobicContact CD1-CG 4Å; I99-F162 HydrophobicContact CD1-CZ 3.92Å; I99-F162 HydrophobicContact CG1-CD1 3.67Å; I99-F162 HydrophobicContact CG1-CE1 3.71Å; I99-F162 HydrophobicContact CG1-CG 4.37Å; I99-F162 HydrophobicContact CG1-CZ 4.43Å; I99-V164 HydrophobicContact CD1-CG2 4.2Å; I99-V164 HydrophobicContact CG2-CG2 3.5Å; I99-V164 VanDerWaalsContact CG2-CG2 3.5Å
100	N	94.6	Very high	94	Very high	124 Å²	124	72.8 Å²	72.8	66%	0.663	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	123.4	167.1	-65.9	-32.9	0	0	0	108	Q98	Q98-N100 PolarHBondContact NE2-OD1 3.22Å
101	W	95.3	Very high	94.2	Very high	30 Å²	30	68 Å²	68	11%	0.114	33%	0.331	C	S	.	.			trans	-137.2	55.3	-179.8	-157.8	24.6	0	0	0	109.8	N82 L84 I99 N123 I125 V138 I147 A149	N82-W101 CarbonylContact O-C 3.26Å; N82-W101 PolarHBondContact O-N 3.18Å; L84-W101 HydrophobicContact CD1-CE3 4.14Å; I99-W101 HydrophobicContact CG2-CB 4.35Å; W101-N123 WeakPolarHBondContact O-CB 3.25Å; W101-N123 PolarHBondContact O-ND2 3.21Å; W101-I125 HydrophobicContact CE3-CD1 3.5Å; W101-I125 VanDerWaalsContact CE3-CD1 3.5Å; W101-I125 HydrophobicContact CZ3-CD1 3.82Å; W101-V138 HydrophobicContact CE3-CG1 4.31Å; W101-V138 HydrophobicContact CZ3-CB 3.92Å; W101-V138 HydrophobicContact CZ3-CG1 3.63Å; W101-I147 HydrophobicContact CH2-CG1 4.49Å; W101-I147 HydrophobicContact CZ2-CD1 3.85Å; W101-I147 HydrophobicContact CZ2-CG1 4.15Å; W101-A149 HydrophobicContact CH2-CB 3.64Å; W101-A149 HydrophobicContact CZ2-CB 3.57Å
102	A	95.4	Very high	94.4	Very high	59 Å²	59	65.3 Å²	65.3	49%	0.488	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-76.8	152.6	178.2	0	0	0	0	0	111.5	N82	N82-A102 HydrophobicContact CB-CB 3.81Å; N82-A102 PolarHBondContact O-N 3Å
103	S	96.1	Very high	94.5	Very high	10 Å²	10	72.4 Å²	72.4	7%	0.07	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-63.6	148.6	165.9	-66.5	0	0	0	0	110.9	G142 A143	S103-G142 VanDerWaalsContact OG-C 3.25Å; S103-A143 WeakPolarHBondContact OG-CB 3.4Å; S103-A143 PolarHBondContact OG-N 3.03Å
104	T	95.5	Very high	94.6	Very high	81 Å²	81	74.4 Å²	74.4	50%	0.497	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-71.3	155.8	175.4	65.8	0	0	0	0	110.9	F106 Q107 I108	T104-F106 PolarHBondContact O-N 2.92Å; T104-Q107 WeakPolarHBondContact O-CB 3.3Å; T104-Q107 PolarHBondContact O-N 2.81Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.24Å; T104-Q107 PolarHBondContact OG1-N 3.16Å; T104-I108 WeakPolarHBondContact O-CG1 3.45Å; T104-I108 PolarHBondContact O-N 3.44Å
105	E	95.9	Very high	94.8	Very high	139 Å²	139	76.6 Å²	76.6	65%	0.65	39%	0.391	S	S	*	.	H	α-helix	trans	-54.3	-39.6	177.3	-68.7	-67.4	176.5	0	0	112.1	Q107 I108 E109	E105-Q107 PolarHBondContact O-N 3.39Å; E105-I108 WeakPolarHBondContact O-CB 3.06Å; E105-I108 PolarHBondContact O-N 2.96Å; E105-I108 VanDerWaalsContact O-N 3.15Å; E105-E109 WeakPolarHBondContact O-CG 3.31Å; E105-E109 PolarHBondContact O-N 3.49Å
106	F	96.3	Very high	95.3	Very high	141 Å²	141	71.2 Å²	71.2	62%	0.618	36%	0.364	S	S	*	.	H	α-helix	trans	-59.1	-44.2	174.5	178.6	-96.7	0	0	0	113.1	T104 I108 E109 E110	T104-F106 PolarHBondContact O-N 2.92Å; F106-I108 VanDerWaalsContact C-N 3.3Å; F106-I108 PolarHBondContact O-N 3.34Å; F106-E109 PolarHBondContact O-N 2.89Å; F106-E110 WeakPolarHBondContact O-CB 3.26Å; F106-E110 PolarHBondContact O-N 3.08Å
107	Q	95.5	Very high	95.4	Very high	40 Å²	40	74.7 Å²	74.7	19%	0.187	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-36.4	176.4	-73.2	173.3	-34.4	0	0	111.8	T104 E105 C111	T104-Q107 WeakPolarHBondContact O-CB 3.3Å; T104-Q107 PolarHBondContact O-N 2.81Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.24Å; T104-Q107 PolarHBondContact OG1-N 3.16Å; E105-Q107 PolarHBondContact O-N 3.39Å; Q107-C111 VanDerWaalsContact O-CB 3.29Å; Q107-C111 WeakPolarHBondContact O-CB 3.29Å; Q107-C111 PolarHBondContact O-N 2.72Å
108	I	97.1	Very high	95.3	Very high	28 Å²	28	78.3 Å²	78.3	14%	0.144	40%	0.4	C	S	.	.	H	α-helix	trans	-67	-46.7	177.7	-62.2	171.8	0	0	0	109.9	T104 E105 F106 C111 M112 C121	T104-I108 WeakPolarHBondContact O-CG1 3.45Å; T104-I108 PolarHBondContact O-N 3.44Å; E105-I108 WeakPolarHBondContact O-CB 3.06Å; E105-I108 PolarHBondContact O-N 2.96Å; E105-I108 VanDerWaalsContact O-N 3.15Å; F106-I108 VanDerWaalsContact C-N 3.3Å; F106-I108 PolarHBondContact O-N 3.34Å; I108-C111 WeakPolarHBondContact O-CB 3.22Å; I108-C111 PolarHBondContact O-N 2.82Å; I108-M112 HydrophobicContact CG2-CE 4.07Å; I108-M112 HydrophobicContact CG2-SD 4.43Å; I108-M112 WeakPolarHBondContact O-CG 3.33Å; I108-M112 PolarHBondContact O-N 2.83Å; I108-C121 HydrophobicContact CG2-CB 4.03Å
109	E	96.8	Very high	95.3	Very high	104 Å²	104	77.7 Å²	77.7	49%	0.486	40%	0.403	S	S	.	.	H	α-helix	trans	-59.9	-45.6	174.7	-72.5	175.7	-179.5	0	0	111.8	E105 F106 C111 M112 M113	E105-E109 WeakPolarHBondContact O-CG 3.31Å; E105-E109 PolarHBondContact O-N 3.49Å; F106-E109 PolarHBondContact O-N 2.89Å; E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 3.42Å; E109-M112 HydrophobicContact CG-CE 4.31Å; E109-M112 PolarHBondContact O-N 2.8Å; E109-M113 WeakPolarHBondContact O-CG 3.27Å; E109-M113 PolarHBondContact O-N 3.3Å
110	E	96.6	Very high	95.2	Very high	62 Å²	62	79 Å²	79	29%	0.29	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-42.1	176.6	-165.4	-164.2	161.1	0	0	112	F106 M113 K114	F106-E110 WeakPolarHBondContact O-CB 3.26Å; F106-E110 PolarHBondContact O-N 3.08Å; E110-M113 HydrophobicContact CB-CE 4.47Å; E110-M113 PolarHBondContact O-N 2.75Å; E110-K114 WeakPolarHBondContact O-CG 3.27Å; E110-K114 PolarHBondContact O-N 2.98Å; E110-K114 WeakPolarHBondContact OE1-CE 3.22Å; E110-K114 IonicContact OE1-NZ 3.79Å; E110-K114 PolarHBondContact OE1-NZ 2.72Å
111	C	96.9	Very high	95.3	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.014	38%	0.378	C	S	.	.	H	α-helix	trans	-62.7	-44.6	175.9	170.4	0	0	0	0	112.1	Q107 I108 E109 K114 R116 C121 A143 F144	Q107-C111 VanDerWaalsContact O-CB 3.29Å; Q107-C111 WeakPolarHBondContact O-CB 3.29Å; Q107-C111 PolarHBondContact O-N 2.72Å; I108-C111 WeakPolarHBondContact O-CB 3.22Å; I108-C111 PolarHBondContact O-N 2.82Å; E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 3.42Å; C111-K114 WeakPolarHBondContact O-CB 3.31Å; C111-K114 PolarHBondContact O-N 3.39Å; C111-K114 VanDerWaalsContact O-N 3.17Å; C111-R116 PolarHBondContact O-N 2.86Å; C111-C121 VanDerWaalsContact C-SG 3.52Å; C111-C121 HydrophobicContact CB-CB 3.66Å; C111-C121 WeakPolarHBondContact CB-SG 3.42Å; C111-C121 WeakPolarHBondContact SG-CA 3.21Å; C111-C121 WeakPolarHBondContact SG-CB 3.49Å; C111-C121 CovalentContact SG-SG 2.04Å; C111-C121 PolarHBondContact SG-SG 2.96Å; C111-A143 HydrophobicContact CB-CB 4.06Å; C111-A143 WeakPolarHBondContact CB-O 3.43Å; C111-F144 VanDerWaalsContact SG-CD2 3.59Å
112	M	97.2	Very high	95.3	Very high	73 Å²	73	72 Å²	72	36%	0.36	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-37.5	177.7	-68.9	-174.8	-57.7	0	0	112	I108 E109 K114 G115 K118 C121	I108-M112 HydrophobicContact CG2-CE 4.07Å; I108-M112 HydrophobicContact CG2-SD 4.43Å; I108-M112 WeakPolarHBondContact O-CG 3.33Å; I108-M112 PolarHBondContact O-N 2.83Å; E109-M112 HydrophobicContact CG-CE 4.31Å; E109-M112 PolarHBondContact O-N 2.8Å; M112-K114 PolarHBondContact O-N 3.39Å; M112-G115 PolarHBondContact O-N 2.89Å; M112-K118 HydrophobicContact SD-CB 4.02Å; M112-K118 HydrophobicContact SD-CG 4.13Å; M112-C121 HydrophobicContact CG-CB 4.4Å
113	M	96.4	Very high	95.4	Very high	148 Å²	148	69.2 Å²	69.2	73%	0.729	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-24.6	174	-74.4	-170.5	-69.9	0	0	112.8	E109 E110 G115	E109-M113 WeakPolarHBondContact O-CG 3.27Å; E109-M113 PolarHBondContact O-N 3.3Å; E110-M113 HydrophobicContact CB-CE 4.47Å; E110-M113 PolarHBondContact O-N 2.75Å; M113-G115 PolarHBondContact O-N 3.41Å
114	K	94.6	Very high	95.4	Very high	100 Å²	100	69.5 Å²	69.5	44%	0.435	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	5.8	172.6	-66.9	170.7	-173.8	165.8	0	113.5	E110 C111 M112 Y201	E110-K114 WeakPolarHBondContact O-CG 3.27Å; E110-K114 PolarHBondContact O-N 2.98Å; E110-K114 WeakPolarHBondContact OE1-CE 3.22Å; E110-K114 IonicContact OE1-NZ 3.79Å; E110-K114 PolarHBondContact OE1-NZ 2.72Å; C111-K114 WeakPolarHBondContact O-CB 3.31Å; C111-K114 PolarHBondContact O-N 3.39Å; C111-K114 VanDerWaalsContact O-N 3.17Å; M112-K114 PolarHBondContact O-N 3.39Å; K114-Y201 HydrophobicContact CD-CE2 4.31Å
115	G	93.6	Very high	95.5	Very high	70 Å²	70	65.7 Å²	65.7	72%	0.722	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	14.8	173.5	0	0	0	0	0	115.4	M112 M113	M112-G115 PolarHBondContact O-N 2.89Å; M113-G115 PolarHBondContact O-N 3.41Å
116	R	95.2	Very high	95.6	Very high	51 Å²	51	60.8 Å²	60.8	19%	0.192	30%	0.304	C	S	.	.			trans	-88.2	153.4	175.8	-62.1	-62.5	-179.8	154.4	4.3	111.9	C111 F144 D179 Y201	C111-R116 PolarHBondContact O-N 2.86Å; R116-F144 HydrophobicContact CB-CE2 4.18Å; R116-F144 HydrophobicContact CG-CD1 4.48Å; R116-F144 HydrophobicContact CG-CD2 4.02Å; R116-F144 HydrophobicContact CG-CE1 4.3Å; R116-F144 HydrophobicContact CG-CE2 3.79Å; R116-F144 HydrophobicContact CG-CG 4.36Å; R116-F144 HydrophobicContact CG-CZ 3.95Å; R116-D179 IonicContact NH1-OD2 2.79Å; R116-D179 PolarHBondContact NH1-OD2 2.88Å; R116-Y201 WeakPolarHBondContact CG-OH 3.01Å; R116-Y201 PolarHBondContact NE-OH 2.69Å; R116-Y201 PolarHBondContact NH2-O 3.5Å
117	E	93.6	Very high	95.7	Very high	129 Å²	129	54 Å²	54	60%	0.603	27%	0.274	S	S	*	.			trans	-76.4	146.6	178.2	-56.2	-170.8	165.3	0	0	111.1	P119 E120 C121	E117-P119 VanDerWaalsContact C-CD 3.43Å; E117-P119 VanDerWaalsContact C-N 3.33Å; E117-P119 HydrophobicContact CB-CG 4.05Å; E117-E120 HydrophobicContact CB-CG 4.13Å; E117-E120 PolarHBondContact N-OE2 3.26Å; E117-E120 WeakPolarHBondContact O-CA 3.37Å; E117-E120 WeakPolarHBondContact O-CB 3.23Å; E117-E120 PolarHBondContact O-N 2.87Å; E117-C121 PolarHBondContact O-N 2.83Å; E117-C121 VanDerWaalsContact O-N 3.17Å
118	K	91.4	Very high	95.7	Very high	155 Å²	155	52.3 Å²	52.3	67%	0.674	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-43.7	176.8	-171	172.2	-175.8	171.6	0	114.8	M112 E120 C121	M112-K118 HydrophobicContact SD-CB 4.02Å; M112-K118 HydrophobicContact SD-CG 4.13Å; K118-E120 VanDerWaalsContact C-N 3.28Å; K118-E120 PolarHBondContact O-N 3.42Å; K118-C121 PolarHBondContact O-N 3.44Å
119	P	91.9	Very high	95.7	Very high	69 Å²	69	52.5 Å²	52.5	45%	0.448	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-30.6	176.3	23.9	-35.4	0	0	0	113.8	K81 E117 Y124	K81-P119 PolarHBondContact NZ-O 3.46Å; E117-P119 VanDerWaalsContact C-CD 3.43Å; E117-P119 VanDerWaalsContact C-N 3.33Å; E117-P119 HydrophobicContact CB-CG 4.05Å; P119-Y124 PolarHBondContact O-OH 3.17Å
120	E	93.1	Very high	95.6	Very high	44 Å²	44	51.1 Å²	51.1	21%	0.206	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-29.6	179.5	-50.3	178.4	123.9	0	0	111.6	E117 K118 A122 F144	E117-E120 HydrophobicContact CB-CG 4.13Å; E117-E120 PolarHBondContact N-OE2 3.26Å; E117-E120 WeakPolarHBondContact O-CA 3.37Å; E117-E120 WeakPolarHBondContact O-CB 3.23Å; E117-E120 PolarHBondContact O-N 2.87Å; K118-E120 VanDerWaalsContact C-N 3.28Å; K118-E120 PolarHBondContact O-N 3.42Å; E120-A122 PolarHBondContact O-N 3.39Å; E120-F144 HydrophobicContact CB-CE2 3.78Å; E120-F144 HydrophobicContact CB-CZ 4.29Å
121	C	96.6	Very high	95.5	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.02	26%	0.258	C	S	.	.	S	Bend	trans	-75.8	66.3	177	-61.9	0	0	0	0	112.7	I108 C111 M112 E117 K118 A143	I108-C121 HydrophobicContact CG2-CB 4.03Å; C111-C121 VanDerWaalsContact C-SG 3.52Å; C111-C121 HydrophobicContact CB-CB 3.66Å; C111-C121 WeakPolarHBondContact CB-SG 3.42Å; C111-C121 WeakPolarHBondContact SG-CA 3.21Å; C111-C121 WeakPolarHBondContact SG-CB 3.49Å; C111-C121 CovalentContact SG-SG 2.04Å; C111-C121 PolarHBondContact SG-SG 2.96Å; M112-C121 HydrophobicContact CG-CB 4.4Å; E117-C121 PolarHBondContact O-N 2.83Å; E117-C121 VanDerWaalsContact O-N 3.17Å; K118-C121 PolarHBondContact O-N 3.44Å; C121-A143 HydrophobicContact CB-CB 4.36Å
122	A	96	Very high	95.2	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.033	27%	0.274	C	S	.	.	S	Bend	trans	-144.1	171	174.9	0	0	0	0	0	110.7	K81 E120 Y124 T141 A143	K81-A122 HydrophobicContact CD-CB 4.37Å; K81-A122 VanDerWaalsContact CE-CB 3.42Å; K81-A122 HydrophobicContact CG-CB 4.1Å; E120-A122 PolarHBondContact O-N 3.39Å; A122-Y124 HydrophobicContact CB-CD2 4.23Å; A122-Y124 HydrophobicContact CB-CE2 3.75Å; A122-Y124 PolarHBondContact O-N 3.29Å; A122-T141 PolarHBondContact O-OG1 2.8Å; A122-A143 WeakPolarHBondContact O-CA 3.36Å; A122-A143 PolarHBondContact O-N 3.41Å
123	N	97.2	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.			trans	-89.9	100.9	174.4	-172.4	22	0	0	0	110.3	N82 W101 G140 T141 G142	N82-N123 WeakPolarHBondContact CA-O 3.4Å; N82-N123 PolarHBondContact N-O 3.2Å; N82-N123 PolarHBondContact OD1-N 3.3Å; W101-N123 WeakPolarHBondContact O-CB 3.25Å; W101-N123 PolarHBondContact O-ND2 3.21Å; N123-G140 WeakPolarHBondContact OD1-CA 3.34Å; N123-T141 PolarHBondContact OD1-N 3.09Å; N123-G142 PolarHBondContact OD1-N 3.15Å
124	Y	97	Very high	94.7	Very high	17 Å²	17	52 Å²	52	7%	0.067	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-93	117.3	174.4	-67.6	-95.1	0	0	0	109.2	Q65 K81 P119 A122 K126 G140 T141 P180	Q65-Y124 HydrophobicContact CG-CD1 4.21Å; K81-Y124 HydrophobicContact CB-CD1 4.01Å; K81-Y124 HydrophobicContact CB-CE1 3.87Å; K81-Y124 HydrophobicContact CD-CE1 3.75Å; K81-Y124 WeakPolarHBondContact CE-OH 3.28Å; K81-Y124 HydrophobicContact CG-CD1 4.2Å; K81-Y124 HydrophobicContact CG-CE1 3.79Å; K81-Y124 PolarHBondContact NZ-OH 2.7Å; P119-Y124 PolarHBondContact O-OH 3.17Å; A122-Y124 HydrophobicContact CB-CD2 4.23Å; A122-Y124 HydrophobicContact CB-CE2 3.75Å; A122-Y124 PolarHBondContact O-N 3.29Å; Y124-K126 PolarHBondContact O-N 2.81Å; Y124-G140 CarbonylContact O-C 3.5Å; Y124-G140 WeakPolarHBondContact O-CA 3.42Å; Y124-T141 PolarHBondContact N-OG1 3.2Å; Y124-T141 PolarHBondContact O-N 2.79Å; Y124-P180 HydrophobicContact CD1-CB 4.07Å; Y124-P180 HydrophobicContact CD2-CB 3.5Å; Y124-P180 VanDerWaalsContact CD2-CB 3.5Å; Y124-P180 HydrophobicContact CD2-CG 3.95Å; Y124-P180 HydrophobicContact CE1-CB 4.45Å; Y124-P180 HydrophobicContact CE2-CB 3.91Å; Y124-P180 HydrophobicContact CE2-CG 3.95Å; Y124-P180 HydrophobicContact CG-CB 3.57Å; Y124-P180 HydrophobicContact CG-CG 4.48Å
125	I	97.8	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	108.3	179.8	-55.7	-50.6	0	0	0	109.8	Q65 T66 A80 L84 W101 V138	Q65-I125 WeakPolarHBondContact CB-O 3.49Å; T66-I125 HydrophobicContact CG2-CG2 4.4Å; A80-I125 WeakPolarHBondContact O-CG1 3.36Å; A80-I125 PolarHBondContact O-N 3.15Å; L84-I125 HydrophobicContact CD2-CB 4.49Å; L84-I125 HydrophobicContact CD2-CG1 4.08Å; L84-I125 HydrophobicContact CD2-CG2 3.91Å; L84-I125 HydrophobicContact CG-CG1 4.36Å; W101-I125 HydrophobicContact CE3-CD1 3.5Å; W101-I125 VanDerWaalsContact CE3-CD1 3.5Å; W101-I125 HydrophobicContact CZ3-CD1 3.82Å; I125-V138 HydrophobicContact CD1-CG1 4.34Å; I125-V138 HydrophobicContact CG2-CG1 3.49Å; I125-V138 VanDerWaalsContact CG2-CG1 3.49Å
126	K	96.8	Very high	94.8	Very high	36 Å²	36	45.5 Å²	45.5	16%	0.157	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-17.1	-175.6	-65	-74.4	-68.5	-165.3	0	113.8	Q65 Y124 C139 T141 P177 P180 S182	Q65-K126 HydrophobicContact CB-CD 4.36Å; Y124-K126 PolarHBondContact O-N 2.81Å; K126-C139 PolarHBondContact N-O 2.86Å; K126-T141 HydrophobicContact CG-CG2 4.02Å; K126-P177 HydrophobicContact CB-CG 4.27Å; K126-P177 HydrophobicContact CG-CG 4.09Å; K126-P180 PolarHBondContact NZ-O 2.82Å; K126-S182 PolarHBondContact NZ-O 2.88Å; K126-S182 VanDerWaalsContact NZ-O 3.1Å
127	V	97.6	Very high	94.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.5	178.8	177.9	0	0	0	0	109.3	Q129 V138 C139 R175 L193 I195	V127-Q129 HydrophobicContact CG1-CG 3.97Å; V127-V138 WeakPolarHBondContact O-CA 3.21Å; V127-C139 HydrophobicContact CB-CB 4.01Å; V127-C139 PolarHBondContact N-O 3.13Å; V127-C139 VanDerWaalsContact N-O 3.15Å; V127-C139 PolarHBondContact O-N 2.83Å; V127-R175 VanDerWaalsContact CG2-O 3.27Å; V127-R175 WeakPolarHBondContact CG2-O 3.49Å; V127-L193 HydrophobicContact CG1-CD1 4.43Å; V127-I195 HydrophobicContact CG2-CD1 3.91Å
128	L	97.4	Very high	95.1	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	101.4	178.9	-178.8	60.2	0	0	0	108.9	T66 L68 L84 L136 V138	T66-L128 HydrophobicContact CG2-CB 3.64Å; T66-L128 HydrophobicContact CG2-CD2 4.45Å; L68-L128 HydrophobicContact CB-CD2 3.84Å; L68-L128 HydrophobicContact CB-CG 3.8Å; L68-L128 HydrophobicContact CD2-CG 4.24Å; L84-L128 HydrophobicContact CD2-CD1 4.42Å; L128-L136 HydrophobicContact CD1-CD1 4.16Å; L128-V138 HydrophobicContact CD1-CG1 4.4Å; L128-V138 HydrophobicContact CD1-CG2 3.72Å
129	Q	96.8	Very high	95.4	Very high	31 Å²	31	30.2 Å²	30.2	15%	0.145	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.6	-172.9	-67	-66.7	-20.7	0	0	111.2	V127 Y131 L136 L137 S186 L188 L193	V127-Q129 HydrophobicContact CG1-CG 3.97Å; Q129-Y131 PolarHBondContact O-N 2.99Å; Q129-Y131 VanDerWaalsContact O-N 3.14Å; Q129-L136 CarbonylContact O-C 3.59Å; Q129-L136 VanDerWaalsContact O-CA 3.32Å; Q129-L136 WeakPolarHBondContact O-CA 3.36Å; Q129-L137 HydrophobicContact CB-CB 4.45Å; Q129-L137 PolarHBondContact N-O 2.78Å; Q129-L137 PolarHBondContact O-N 2.87Å; Q129-S186 PolarHBondContact NE2-O 2.67Å; Q129-S186 PolarHBondContact NE2-OG 3.14Å; Q129-L188 HydrophobicContact CB-CB 3.79Å; Q129-L188 HydrophobicContact CB-CD2 4.43Å; Q129-L188 HydrophobicContact CG-CB 4.09Å; Q129-L193 HydrophobicContact CG-CD1 4.24Å
130	K	94.9	Very high	95.7	Very high	75 Å²	75	26.9 Å²	26.9	33%	0.326	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	101.9	173.1	-176.5	167.4	-175	149.5	0	109.7	L68 D70 S72 N132 L188	L68-K130 HydrophobicContact CD2-CB 4.32Å; D70-K130 IonicContact OD1-NZ 3.17Å; D70-K130 PolarHBondContact OD1-NZ 3.09Å; D70-K130 IonicContact OD2-NZ 2.7Å; D70-K130 PolarHBondContact OD2-NZ 3.02Å; S72-K130 PolarHBondContact OG-NZ 3.08Å; S72-K130 VanDerWaalsContact OG-NZ 3.09Å; K130-N132 WeakPolarHBondContact CE-O 3.41Å; K130-N132 VanDerWaalsContact CG-O 3.28Å; K130-N132 WeakPolarHBondContact CG-O 3.39Å; K130-L188 WeakPolarHBondContact O-CD2 3.31Å
131	Y	93.4	Very high	95.9	Very high	71 Å²	71	24.8 Å²	24.8	28%	0.278	12%	0.116	S	C	.	.			trans	-68.5	-49.5	-177.5	-174.6	-108.1	0	0	0	112.2	Q129 H135 L137 L150 L188	Q129-Y131 PolarHBondContact O-N 2.99Å; Q129-Y131 VanDerWaalsContact O-N 3.14Å; Y131-H135 WeakPolarHBondContact CB-O 3.35Å; Y131-H135 HydrophobicContact CD1-CB 4.27Å; Y131-H135 PolarHBondContact N-O 3.25Å; Y131-L137 HydrophobicContact CD2-CB 4.3Å; Y131-L150 HydrophobicContact CD1-CD1 4.48Å; Y131-L150 HydrophobicContact CD1-CD2 3.95Å; Y131-L150 HydrophobicContact CD2-CD2 4.21Å; Y131-L150 HydrophobicContact CE1-CD1 4.36Å; Y131-L150 HydrophobicContact CE1-CD2 4.36Å; Y131-L150 HydrophobicContact CG-CD2 3.87Å; Y131-L188 VanDerWaalsContact CA-CD2 3.43Å; Y131-L188 HydrophobicContact CD2-CD2 4.02Å
132	N	91.4	Very high	95.9	Very high	65 Å²	65	24.7 Å²	24.7	35%	0.348	12%	0.115	S	C	.	.	S	Bend	trans	-152.3	-159.3	174	61.9	28.8	0	0	0	109.4	K130 T134 H135	K130-N132 WeakPolarHBondContact CE-O 3.41Å; K130-N132 VanDerWaalsContact CG-O 3.28Å; K130-N132 WeakPolarHBondContact CG-O 3.39Å; N132-T134 VanDerWaalsContact C-N 3.25Å; N132-T134 PolarHBondContact O-N 2.86Å; N132-T134 WeakPolarHBondContact OD1-CA 3.39Å; N132-T134 PolarHBondContact OD1-N 2.91Å; N132-T134 PolarHBondContact OD1-OG1 2.98Å; N132-T134 VanDerWaalsContact OD1-OG1 3.08Å; N132-H135 PolarHBondContact N-O 3.02Å; N132-H135 WeakPolarHBondContact OD1-CB 3.28Å; N132-H135 PolarHBondContact OD1-N 3.06Å; N132-H135 PolarHBondContact OD1-ND1 3.14Å
133	Q	89.6	Confident	96	Very high	146 Å²	146	24.7 Å²	24.7	68%	0.682	12%	0.115	S	C	*	.	S	Bend	trans	-71.6	-17.4	178.9	-65.9	-178	2	0	0	113.8	H73	H73-Q133 PolarHBondContact CE1-O 3.26Å
134	T	92.1	Very high	95.9	Very high	21 Å²	21	25 Å²	25	13%	0.129	12%	0.117	C	C	.	.	S	Bend	trans	-124.2	-11.4	-170.7	52.7	0	0	0	0	114.3	N132 V153 G154 H155	N132-T134 VanDerWaalsContact C-N 3.25Å; N132-T134 PolarHBondContact O-N 2.86Å; N132-T134 WeakPolarHBondContact OD1-CA 3.39Å; N132-T134 PolarHBondContact OD1-N 2.91Å; N132-T134 PolarHBondContact OD1-OG1 2.98Å; N132-T134 VanDerWaalsContact OD1-OG1 3.08Å; T134-V153 VanDerWaalsContact C-CG2 3.49Å; T134-V153 VanDerWaalsContact O-CG2 3.24Å; T134-V153 WeakPolarHBondContact O-CG2 3.36Å; T134-V153 PolarHBondContact O-N 2.89Å; T134-G154 PolarHBondContact O-N 2.78Å; T134-H155 WeakPolarHBondContact CG2-CE1 3.24Å; T134-H155 WeakPolarHBondContact CG2-ND1 3.48Å
135	H	94.2	Very high	95.9	Very high	32 Å²	32	26.8 Å²	26.8	15%	0.148	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.2	-175.9	-61.2	75.6	0	0	0	111.5	Y131 N132 V151 E165	Y131-H135 WeakPolarHBondContact CB-O 3.35Å; Y131-H135 HydrophobicContact CD1-CB 4.27Å; Y131-H135 PolarHBondContact N-O 3.25Å; N132-H135 PolarHBondContact N-O 3.02Å; N132-H135 WeakPolarHBondContact OD1-CB 3.28Å; N132-H135 PolarHBondContact OD1-N 3.06Å; N132-H135 PolarHBondContact OD1-ND1 3.14Å; H135-V151 CarbonylContact C-O 3.47Å; H135-V151 VanDerWaalsContact CA-O 3.28Å; H135-V151 WeakPolarHBondContact CA-O 3.28Å; H135-E165 IonicContact CD2-OE2 3.79Å; H135-E165 IonicContact NE2-OE2 3.89Å
136	L	96.6	Very high	95.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.5	166.4	-52.2	177.1	0	0	0	108.9	L68 Y77 L128 Q129 V138 L150 V151 V153	L68-L136 HydrophobicContact CD2-CD2 3.89Å; Y77-L136 HydrophobicContact CD1-CD1 3.67Å; Y77-L136 HydrophobicContact CD2-CD1 3.74Å; Y77-L136 HydrophobicContact CD2-CD2 4.32Å; Y77-L136 HydrophobicContact CE1-CD1 3.89Å; Y77-L136 HydrophobicContact CE2-CD1 3.96Å; Y77-L136 HydrophobicContact CE2-CD2 4.23Å; Y77-L136 HydrophobicContact CG-CD1 3.59Å; L128-L136 HydrophobicContact CD1-CD1 4.16Å; Q129-L136 CarbonylContact O-C 3.59Å; Q129-L136 VanDerWaalsContact O-CA 3.32Å; Q129-L136 WeakPolarHBondContact O-CA 3.36Å; L136-V138 HydrophobicContact CB-CG2 4.14Å; L136-L150 CarbonylContact O-C 3.57Å; L136-L150 VanDerWaalsContact O-CA 3.32Å; L136-L150 WeakPolarHBondContact O-CA 3.18Å; L136-V151 HydrophobicContact CB-CB 4.32Å; L136-V151 PolarHBondContact N-O 2.91Å; L136-V151 PolarHBondContact O-N 2.87Å; L136-V153 HydrophobicContact CD1-CG1 3.75Å; L136-V153 HydrophobicContact CD2-CG1 4.49Å; L136-V153 HydrophobicContact CG-CG1 3.75Å
137	L	96.9	Very high	95.9	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.073	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.7	164.5	173.2	66.2	0	0	0	107.6	Q129 Y131 L150 L188 L193	Q129-L137 HydrophobicContact CB-CB 4.45Å; Q129-L137 PolarHBondContact N-O 2.78Å; Q129-L137 PolarHBondContact O-N 2.87Å; Y131-L137 HydrophobicContact CD2-CB 4.3Å; L137-L150 HydrophobicContact CB-CD2 4.45Å; L137-L150 HydrophobicContact CD1-CD2 4.3Å; L137-L188 HydrophobicContact CD2-CD1 3.99Å; L137-L193 HydrophobicContact CD2-CD1 4.35Å; L137-L193 HydrophobicContact CD2-CD2 4.17Å
138	V	98.1	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.5	-179	-167	0	0	0	0	109.7	L84 W101 I125 V127 L128 L136 C148 A149 V151	L84-V138 HydrophobicContact CD1-CB 4.47Å; L84-V138 HydrophobicContact CD1-CG1 3.97Å; L84-V138 HydrophobicContact CD1-CG2 4.23Å; L84-V138 HydrophobicContact CD2-CG1 3.61Å; L84-V138 HydrophobicContact CD2-CG2 4.43Å; L84-V138 HydrophobicContact CG-CG1 4.29Å; W101-V138 HydrophobicContact CE3-CG1 4.31Å; W101-V138 HydrophobicContact CZ3-CB 3.92Å; W101-V138 HydrophobicContact CZ3-CG1 3.63Å; I125-V138 HydrophobicContact CD1-CG1 4.34Å; I125-V138 HydrophobicContact CG2-CG1 3.49Å; I125-V138 VanDerWaalsContact CG2-CG1 3.49Å; V127-V138 WeakPolarHBondContact O-CA 3.21Å; L128-V138 HydrophobicContact CD1-CG1 4.4Å; L128-V138 HydrophobicContact CD1-CG2 3.72Å; L136-V138 HydrophobicContact CB-CG2 4.14Å; V138-C148 CarbonylContact O-C 3.6Å; V138-C148 WeakPolarHBondContact O-CA 3.36Å; V138-A149 PolarHBondContact N-O 3.25Å; V138-A149 PolarHBondContact O-N 3.37Å; V138-V151 HydrophobicContact CB-CG2 4.3Å; V138-V151 HydrophobicContact CG2-CB 4.09Å; V138-V151 HydrophobicContact CG2-CG2 3.56Å
139	C	97.9	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.9	171.9	-49.3	0	0	0	0	111.8	K126 V127 I147 C148 C176	K126-C139 PolarHBondContact N-O 2.86Å; V127-C139 HydrophobicContact CB-CB 4.01Å; V127-C139 PolarHBondContact N-O 3.13Å; V127-C139 VanDerWaalsContact N-O 3.15Å; V127-C139 PolarHBondContact O-N 2.83Å; C139-I147 CarbonylContact C-O 3.52Å; C139-I147 WeakPolarHBondContact CA-O 3.39Å; C139-I147 WeakPolarHBondContact CB-O 3.38Å; C139-C148 HydrophobicContact CB-CB 4.04Å; C139-C148 WeakPolarHBondContact CB-SG 3.44Å; C139-C148 WeakPolarHBondContact SG-CB 3.32Å; C139-C148 CovalentContact SG-SG 2.04Å; C139-C148 PolarHBondContact SG-SG 3.46Å; C139-C176 HydrophobicContact CB-CB 3.68Å
140	G	98.1	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.2	175.7	0	0	0	0	0	113.3	N123 Y124 G142 P146 I147 C176	N123-G140 WeakPolarHBondContact OD1-CA 3.34Å; Y124-G140 CarbonylContact O-C 3.5Å; Y124-G140 WeakPolarHBondContact O-CA 3.42Å; G140-G142 PolarHBondContact O-N 3.17Å; G140-P146 VanDerWaalsContact O-CA 3.29Å; G140-P146 WeakPolarHBondContact O-CA 3.34Å; G140-I147 PolarHBondContact N-O 2.74Å; G140-I147 PolarHBondContact O-N 3.48Å; G140-C176 VanDerWaalsContact CA-SG 3.59Å
141	T	97.6	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.			trans	-64.3	-21.5	-172.7	59.2	0	0	0	0	113.6	A122 N123 Y124 K126 A143 F144 N145 P146 F178 P180	A122-T141 PolarHBondContact O-OG1 2.8Å; N123-T141 PolarHBondContact OD1-N 3.09Å; Y124-T141 PolarHBondContact N-OG1 3.2Å; Y124-T141 PolarHBondContact O-N 2.79Å; K126-T141 HydrophobicContact CG-CG2 4.02Å; T141-A143 VanDerWaalsContact C-N 3.28Å; T141-A143 PolarHBondContact O-N 2.85Å; T141-F144 PolarHBondContact O-N 3.34Å; T141-F144 VanDerWaalsContact O-N 3.12Å; T141-N145 CarbonylContact O-C 3.58Å; T141-N145 PolarHBondContact O-N 2.53Å; T141-P146 WeakPolarHBondContact O-CA 3.32Å; T141-F178 WeakPolarHBondContact CB-O 3.21Å; T141-P180 HydrophobicContact CG2-CB 4.35Å
142	G	96.9	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	39.7	177.1	0	0	0	0	0	114.5	S103 N123 G140 N145	S103-G142 VanDerWaalsContact OG-C 3.25Å; N123-G142 PolarHBondContact OD1-N 3.15Å; G140-G142 PolarHBondContact O-N 3.17Å; G142-N145 WeakPolarHBondContact CA-O 3.41Å; G142-N145 PolarHBondContact O-N 3.14Å
143	A	97.1	Very high	96.1	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.041	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	57.8	-172.7	0	0	0	0	0	112.7	S103 C111 C121 A122 T141 N145	S103-A143 WeakPolarHBondContact OG-CB 3.4Å; S103-A143 PolarHBondContact OG-N 3.03Å; C111-A143 HydrophobicContact CB-CB 4.06Å; C111-A143 WeakPolarHBondContact CB-O 3.43Å; C121-A143 HydrophobicContact CB-CB 4.36Å; A122-A143 WeakPolarHBondContact O-CA 3.36Å; A122-A143 PolarHBondContact O-N 3.41Å; T141-A143 VanDerWaalsContact C-N 3.28Å; T141-A143 PolarHBondContact O-N 2.85Å; A143-N145 PolarHBondContact O-N 3.33Å
144	F	96.6	Very high	95.9	Very high	5 Å²	5	15 Å²	15	2%	0.022	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	30.9	-173	-64.1	-105.3	0	0	0	113.6	C111 R116 E120 T141 F178 D179 Y201	C111-F144 VanDerWaalsContact SG-CD2 3.59Å; R116-F144 HydrophobicContact CB-CE2 4.18Å; R116-F144 HydrophobicContact CG-CD1 4.48Å; R116-F144 HydrophobicContact CG-CD2 4.02Å; R116-F144 HydrophobicContact CG-CE1 4.3Å; R116-F144 HydrophobicContact CG-CE2 3.79Å; R116-F144 HydrophobicContact CG-CG 4.36Å; R116-F144 HydrophobicContact CG-CZ 3.95Å; E120-F144 HydrophobicContact CB-CE2 3.78Å; E120-F144 HydrophobicContact CB-CZ 4.29Å; T141-F144 PolarHBondContact O-N 3.34Å; T141-F144 VanDerWaalsContact O-N 3.12Å; F144-F178 HydrophobicContact CD1-CB 4.03Å; F144-F178 WeakPolarHBondContact O-CD1 3.11Å; F144-D179 HydrophobicContact CE1-CB 3.84Å; F144-D179 HydrophobicContact CZ-CB 4.3Å; F144-Y201 HydrophobicContact CB-CD2 3.97Å; F144-Y201 HydrophobicContact CB-CE2 3.52Å; F144-Y201 AromaticContact CD1-CD2 3.99Å; F144-Y201 HydrophobicContact CD1-CD2 3.99Å; F144-Y201 AromaticContact CD1-CE2 3.58Å; F144-Y201 HydrophobicContact CD1-CE2 3.58Å; F144-Y201 HydrophobicContact CG-CD2 4.43Å; F144-Y201 AromaticContact CG-CE2 3.83Å; F144-Y201 HydrophobicContact CG-CE2 3.83Å
145	N	96.4	Very high	95.5	Very high	55 Å²	55	18.8 Å²	18.8	29%	0.294	9%	0.093	S	C	.	.	S	Bend	trans	-139.8	82	166.7	-172.9	19.4	0	0	0	108.7	T141 G142 A143 I147	T141-N145 CarbonylContact O-C 3.58Å; T141-N145 PolarHBondContact O-N 2.53Å; G142-N145 WeakPolarHBondContact CA-O 3.41Å; G142-N145 PolarHBondContact O-N 3.14Å; A143-N145 PolarHBondContact O-N 3.33Å; N145-I147 PolarHBondContact O-N 3.12Å
146	P	96.9	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.			trans	-56.6	139.3	-167.4	-28.9	36.2	0	0	0	113.5	G140 T141 G172 C176 P177 F178	G140-P146 VanDerWaalsContact O-CA 3.29Å; G140-P146 WeakPolarHBondContact O-CA 3.34Å; T141-P146 WeakPolarHBondContact O-CA 3.32Å; P146-G172 WeakPolarHBondContact O-CA 2.87Å; P146-G172 PolarHBondContact O-N 2.78Å; P146-C176 HydrophobicContact CB-CB 4.09Å; P146-P177 WeakPolarHBondContact CG-O 3.5Å; P146-F178 VanDerWaalsContact CD-CD1 3.48Å; P146-F178 VanDerWaalsContact CD-CE1 3.41Å; P146-F178 HydrophobicContact CG-CD1 4.01Å; P146-F178 HydrophobicContact CG-CD2 4.03Å; P146-F178 HydrophobicContact CG-CE1 4.16Å; P146-F178 HydrophobicContact CG-CE2 4.17Å; P146-F178 HydrophobicContact CG-CG 3.93Å; P146-F178 HydrophobicContact CG-CZ 4.24Å
147	I	97.3	Very high	93	Very high	28 Å²	28	28.6 Å²	28.6	14%	0.144	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.8	-180	58.3	173.5	0	0	0	110.8	W101 C139 G140 N145	W101-I147 HydrophobicContact CH2-CG1 4.49Å; W101-I147 HydrophobicContact CZ2-CD1 3.85Å; W101-I147 HydrophobicContact CZ2-CG1 4.15Å; C139-I147 CarbonylContact C-O 3.52Å; C139-I147 WeakPolarHBondContact CA-O 3.39Å; C139-I147 WeakPolarHBondContact CB-O 3.38Å; G140-I147 PolarHBondContact N-O 2.74Å; G140-I147 PolarHBondContact O-N 3.48Å; N145-I147 PolarHBondContact O-N 3.12Å
148	C	97.1	Very high	91.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.2	173.3	-66.2	0	0	0	0	110.9	V138 C139 V169 T170 G172 R175	V138-C148 CarbonylContact O-C 3.6Å; V138-C148 WeakPolarHBondContact O-CA 3.36Å; C139-C148 HydrophobicContact CB-CB 4.04Å; C139-C148 WeakPolarHBondContact CB-SG 3.44Å; C139-C148 WeakPolarHBondContact SG-CB 3.32Å; C139-C148 CovalentContact SG-SG 2.04Å; C139-C148 PolarHBondContact SG-SG 3.46Å; C148-V169 WeakPolarHBondContact O-CA 3.06Å; C148-T170 PolarHBondContact N-O 3.25Å; C148-T170 PolarHBondContact O-N 2.81Å; C148-G172 WeakPolarHBondContact SG-CA 3.32Å; C148-R175 WeakPolarHBondContact SG-CB 3.49Å
149	A	97.2	Very high	89.8	Confident	2 Å²	2	42 Å²	42	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	162.6	172.2	0	0	0	0	0	111.1	W101 V138 V164 V169	W101-A149 HydrophobicContact CH2-CB 3.64Å; W101-A149 HydrophobicContact CZ2-CB 3.57Å; V138-A149 PolarHBondContact N-O 3.25Å; V138-A149 PolarHBondContact O-N 3.37Å; A149-V164 HydrophobicContact CB-CG1 3.67Å; A149-V169 HydrophobicContact CB-CG2 3.97Å
150	L	96.8	Very high	88.4	Confident	36 Å²	36	43.4 Å²	43.4	19%	0.188	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137.4	165.2	-63.2	-178.3	0	0	0	110	Y131 L136 L137 E165 S168	Y131-L150 HydrophobicContact CD1-CD1 4.48Å; Y131-L150 HydrophobicContact CD1-CD2 3.95Å; Y131-L150 HydrophobicContact CD2-CD2 4.21Å; Y131-L150 HydrophobicContact CE1-CD1 4.36Å; Y131-L150 HydrophobicContact CE1-CD2 4.36Å; Y131-L150 HydrophobicContact CG-CD2 3.87Å; L136-L150 CarbonylContact O-C 3.57Å; L136-L150 VanDerWaalsContact O-CA 3.32Å; L136-L150 WeakPolarHBondContact O-CA 3.18Å; L137-L150 HydrophobicContact CB-CD2 4.45Å; L137-L150 HydrophobicContact CD1-CD2 4.3Å; L150-E165 PolarHBondContact O-N 2.86Å; L150-S168 PolarHBondContact N-OG 2.7Å
151	V	97	Very high	87.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.1	175.1	174.4	0	0	0	0	109	L84 I99 H135 L136 V138 F162 A163 V164	L84-V151 HydrophobicContact CD1-CG2 3.89Å; I99-V151 HydrophobicContact CD1-CG1 3.71Å; I99-V151 HydrophobicContact CD1-CG2 4.47Å; H135-V151 CarbonylContact C-O 3.47Å; H135-V151 VanDerWaalsContact CA-O 3.28Å; H135-V151 WeakPolarHBondContact CA-O 3.28Å; L136-V151 HydrophobicContact CB-CB 4.32Å; L136-V151 PolarHBondContact N-O 2.91Å; L136-V151 PolarHBondContact O-N 2.87Å; V138-V151 HydrophobicContact CB-CG2 4.3Å; V138-V151 HydrophobicContact CG2-CB 4.09Å; V138-V151 HydrophobicContact CG2-CG2 3.56Å; V151-F162 HydrophobicContact CG1-CD2 3.95Å; V151-F162 HydrophobicContact CG1-CE2 3.84Å; V151-A163 WeakPolarHBondContact CA-O 3.33Å; V151-V164 HydrophobicContact CG2-CG2 4.24Å
152	K	95	Very high	87.5	Confident	105 Å²	105	47.3 Å²	47.3	46%	0.457	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.9	-179.5	-170.1	175.2	-178.2	172.8	0	110.2	T161 F162 A163	K152-T161 CarbonylContact O-C 3.33Å; K152-T161 VanDerWaalsContact O-C 3.25Å; K152-F162 VanDerWaalsContact O-CA 3.32Å; K152-F162 WeakPolarHBondContact O-CA 3.46Å; K152-F162 PolarHBondContact O-N 3.03Å; K152-A163 PolarHBondContact N-O 3.23Å; K152-A163 PolarHBondContact O-N 2.92Å
153	V	93.1	Very high	87.5	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	27%	0.271	C	S	.	.			trans	-108.6	-14.6	177.9	-63.2	0	0	0	0	113.7	Y77 T134 L136 T161 F162	Y77-V153 HydrophobicContact CE1-CG1 3.7Å; Y77-V153 WeakPolarHBondContact OH-CB 3.46Å; Y77-V153 VanDerWaalsContact OH-CG1 3.31Å; Y77-V153 WeakPolarHBondContact OH-CG1 3.29Å; T134-V153 VanDerWaalsContact C-CG2 3.49Å; T134-V153 VanDerWaalsContact O-CG2 3.24Å; T134-V153 WeakPolarHBondContact O-CG2 3.36Å; T134-V153 PolarHBondContact O-N 2.89Å; L136-V153 HydrophobicContact CD1-CG1 3.75Å; L136-V153 HydrophobicContact CD2-CG1 4.49Å; L136-V153 HydrophobicContact CG-CG1 3.75Å; V153-T161 CarbonylContact C-O 3.53Å; V153-T161 VanDerWaalsContact CA-O 3.22Å; V153-T161 WeakPolarHBondContact CA-O 3.4Å; V153-T161 PolarHBondContact O-N 3.3Å; V153-F162 HydrophobicContact CG1-CD2 4.23Å
154	G	85.8	Confident	87.4	Confident	7 Å²	7	51.1 Å²	51.1	7%	0.072	28%	0.279	C	S	.	.			trans	82.8	-177.2	-178.9	0	0	0	0	0	112.8	H73 T134 T161	H73-G154 PolarHBondContact NE2-O 3.3Å; T134-G154 PolarHBondContact O-N 2.78Å; G154-T161 WeakPolarHBondContact CA-OG1 3.47Å; G154-T161 PolarHBondContact N-OG1 2.75Å; G154-T161 VanDerWaalsContact N-OG1 3.11Å
155	H	82.9	Confident	87.3	Confident	101 Å²	101	54.7 Å²	54.7	47%	0.468	30%	0.296	S	S	.	.			trans	-86.4	156.6	174.9	-71.6	-83.3	0	0	0	111.8	T134 G157 Q158	T134-H155 WeakPolarHBondContact CG2-CE1 3.24Å; T134-H155 WeakPolarHBondContact CG2-ND1 3.48Å; H155-G157 PolarHBondContact O-N 3.11Å; H155-Q158 PolarHBondContact O-N 3.26Å
156	K	73.6	Confident	87.2	Confident	156 Å²	156	60.1 Å²	60.1	68%	0.678	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	126.9	174.1	-176.6	179.4	179.6	-169.6	0	111.6	S72 H73 Q158	S72-K156 WeakPolarHBondContact O-CG 3.32Å; H73-K156 PolarHBondContact NE2-N 2.76Å; K156-Q158 VanDerWaalsContact C-N 3.28Å; K156-Q158 PolarHBondContact O-N 2.97Å
157	G	65.3	Low	87	Confident	84 Å²	84	69.3 Å²	69.3	87%	0.866	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-3.2	173.6	0	0	0	0	0	115.7	H155	H155-G157 PolarHBondContact O-N 3.11Å
158	Q	66.1	Low	86.9	Confident	128 Å²	128	69 Å²	69	60%	0.598	36%	0.363	S	S	*	.	S	Bend	trans	-86.3	170.3	167.2	-71.7	-176.2	-25.6	0	0	110.8	H155 K156 T160	H155-Q158 PolarHBondContact O-N 3.26Å; K156-Q158 VanDerWaalsContact C-N 3.28Å; K156-Q158 PolarHBondContact O-N 2.97Å; Q158-T160 PolarHBondContact O-N 3.48Å
159	E	62	Low	86.8	Confident	169 Å²	169	72.1 Å²	72.1	79%	0.79	38%	0.382	S	S	*	.			trans	-54.6	114.3	170.3	-168.8	173.3	-166.9	0	0	108.4	T161	E159-T161 PolarHBondContact O-N 2.84Å
160	T	67.1	Low	86.8	Confident	29 Å²	29	75.4 Å²	75.4	18%	0.178	40%	0.402	C	S	.	.			trans	-54.5	133.3	-177.6	42.9	0	0	0	0	107.6	R97 Q158	R97-T160 PolarHBondContact NE-OG1 2.85Å; R97-T160 VanDerWaalsContact NH1-C 3.34Å; R97-T160 PolarHBondContact NH1-O 2.85Å; R97-T160 PolarHBondContact NH2-O 3.42Å; R97-T160 PolarHBondContact NH2-OG1 2.94Å; Q158-T160 PolarHBondContact O-N 3.48Å
161	T	84.7	Confident	86.7	Confident	57 Å²	57	77 Å²	77	35%	0.35	42%	0.416	S	S	.	.			trans	-98.4	151.8	164.6	38.4	0	0	0	0	106.7	K152 V153 G154 E159	K152-T161 CarbonylContact O-C 3.33Å; K152-T161 VanDerWaalsContact O-C 3.25Å; V153-T161 CarbonylContact C-O 3.53Å; V153-T161 VanDerWaalsContact CA-O 3.22Å; V153-T161 WeakPolarHBondContact CA-O 3.4Å; V153-T161 PolarHBondContact O-N 3.3Å; G154-T161 WeakPolarHBondContact CA-OG1 3.47Å; G154-T161 PolarHBondContact N-OG1 2.75Å; G154-T161 VanDerWaalsContact N-OG1 3.11Å; E159-T161 PolarHBondContact O-N 2.84Å
162	F	93.5	Very high	86.5	Confident	24 Å²	24	77 Å²	77	11%	0.105	42%	0.416	C	S	.	.			trans	-154	80.8	175.5	-166.4	-120.2	0	0	0	108.2	Y77 L84 R97 I99 V151 K152 V153	Y77-F162 HydrophobicContact CD1-CD2 4.38Å; Y77-F162 AromaticContact CD1-CE2 3.61Å; Y77-F162 HydrophobicContact CD1-CE2 3.61Å; Y77-F162 HydrophobicContact CD1-CZ 4.18Å; Y77-F162 HydrophobicContact CE1-CD2 4.02Å; Y77-F162 AromaticContact CE1-CE2 3.69Å; Y77-F162 HydrophobicContact CE1-CE2 3.69Å; L84-F162 HydrophobicContact CB-CE1 4.29Å; L84-F162 HydrophobicContact CB-CZ 3.92Å; R97-F162 HydrophobicContact CB-CB 4.31Å; R97-F162 HydrophobicContact CB-CD1 3.79Å; R97-F162 HydrophobicContact CB-CG 4.35Å; I99-F162 HydrophobicContact CB-CE1 4.39Å; I99-F162 HydrophobicContact CD1-CD1 3.71Å; I99-F162 HydrophobicContact CD1-CD2 4.22Å; I99-F162 HydrophobicContact CD1-CE1 3.67Å; I99-F162 HydrophobicContact CD1-CE2 4.18Å; I99-F162 HydrophobicContact CD1-CG 4Å; I99-F162 HydrophobicContact CD1-CZ 3.92Å; I99-F162 HydrophobicContact CG1-CD1 3.67Å; I99-F162 HydrophobicContact CG1-CE1 3.71Å; I99-F162 HydrophobicContact CG1-CG 4.37Å; I99-F162 HydrophobicContact CG1-CZ 4.43Å; V151-F162 HydrophobicContact CG1-CD2 3.95Å; V151-F162 HydrophobicContact CG1-CE2 3.84Å; K152-F162 VanDerWaalsContact O-CA 3.32Å; K152-F162 WeakPolarHBondContact O-CA 3.46Å; K152-F162 PolarHBondContact O-N 3.03Å; V153-F162 HydrophobicContact CG1-CD2 4.23Å
163	A	95.2	Very high	86.4	Confident	51 Å²	51	77.9 Å²	77.9	42%	0.421	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.2	-175.1	0	0	0	0	0	110.2	V151 K152	V151-A163 WeakPolarHBondContact CA-O 3.33Å; K152-A163 PolarHBondContact N-O 3.23Å; K152-A163 PolarHBondContact O-N 2.92Å
164	V	96	Very high	86.3	Confident	34 Å²	34	78 Å²	78	21%	0.206	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.9	170.1	-174.4	0	0	0	0	108.1	I99 A149 V151 E166 V169	I99-V164 HydrophobicContact CD1-CG2 4.2Å; I99-V164 HydrophobicContact CG2-CG2 3.5Å; I99-V164 VanDerWaalsContact CG2-CG2 3.5Å; A149-V164 HydrophobicContact CB-CG1 3.67Å; V151-V164 HydrophobicContact CG2-CG2 4.24Å; V164-E166 PolarHBondContact O-N 2.84Å; V164-V169 HydrophobicContact CG1-CG2 4.33Å
165	E	95.4	Very high	86.8	Confident	80 Å²	80	79.9 Å²	79.9	37%	0.374	43%	0.427	S	S	.	.			trans	-85.7	99.9	170.1	-174.6	169.7	-168.5	0	0	108.5	H135 L150 E167 S168	H135-E165 IonicContact CD2-OE2 3.79Å; H135-E165 IonicContact NE2-OE2 3.89Å; L150-E165 PolarHBondContact O-N 2.86Å; E165-E167 VanDerWaalsContact C-N 3.26Å; E165-E167 PolarHBondContact O-N 2.93Å; E165-S168 WeakPolarHBondContact O-CB 3.48Å; E165-S168 PolarHBondContact O-N 2.83Å; E165-S168 PolarHBondContact O-OG 3.13Å
166	E	93.1	Very high	87.4	Confident	169 Å²	169	75.1 Å²	75.1	79%	0.79	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-57.9	-36.6	-170.3	-65.4	-175.3	173.8	0	0	113.1	V164 S168 V169	V164-E166 PolarHBondContact O-N 2.84Å; E166-S168 PolarHBondContact O-N 2.8Å; E166-V169 WeakPolarHBondContact O-CB 3.38Å; E166-V169 VanDerWaalsContact O-CG2 3.3Å; E166-V169 WeakPolarHBondContact O-CG2 3.38Å; E166-V169 PolarHBondContact O-N 3.2Å
167	E	93.9	Very high	88.5	Confident	193 Å²	193	67.7 Å²	67.7	90%	0.902	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-67.2	-17.9	177.1	-61.6	-177.6	-176.6	0	0	113.4	E165	E165-E167 VanDerWaalsContact C-N 3.26Å; E165-E167 PolarHBondContact O-N 2.93Å
168	S	94.4	Very high	90	Very high	23 Å²	23	64.6 Å²	64.6	16%	0.161	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-88.6	-4.1	179.2	78.3	0	0	0	0	113.8	L150 E165 E166 T170	L150-S168 PolarHBondContact N-OG 2.7Å; E165-S168 WeakPolarHBondContact O-CB 3.48Å; E165-S168 PolarHBondContact O-N 2.83Å; E165-S168 PolarHBondContact O-OG 3.13Å; E166-S168 PolarHBondContact O-N 2.8Å; S168-T170 PolarHBondContact O-N 2.87Å
169	V	95.9	Very high	91.4	Very high	65 Å²	65	59.2 Å²	59.2	39%	0.394	31%	0.31	S	S	.	.			trans	-66.7	119.4	-177.8	179	0	0	0	0	109.5	C148 A149 V164 E166	C148-V169 WeakPolarHBondContact O-CA 3.06Å; A149-V169 HydrophobicContact CB-CG2 3.97Å; V164-V169 HydrophobicContact CG1-CG2 4.33Å; E166-V169 WeakPolarHBondContact O-CB 3.38Å; E166-V169 VanDerWaalsContact O-CG2 3.3Å; E166-V169 WeakPolarHBondContact O-CG2 3.38Å; E166-V169 PolarHBondContact O-N 3.2Å
170	T	95.3	Very high	93	Very high	70 Å²	70	51.5 Å²	51.5	43%	0.429	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	165.7	-175.3	49.4	0	0	0	0	110.9	C148 S168 G172	C148-T170 PolarHBondContact N-O 3.25Å; C148-T170 PolarHBondContact O-N 2.81Å; S168-T170 PolarHBondContact O-N 2.87Å; T170-G172 PolarHBondContact O-N 3.19Å
171	S	94.6	Very high	94.2	Very high	69 Å²	69	56.6 Å²	56.6	48%	0.483	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.7	173.4	-173.1	0	0	0	0	110.6	K173	S171-K173 VanDerWaalsContact C-N 3.35Å; S171-K173 WeakPolarHBondContact OG-CG 3.2Å; S171-K173 PolarHBondContact OG-N 2.96Å
172	G	93.9	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.			trans	-90.6	7.7	175.6	0	0	0	0	0	114	P146 C148 T170 G174 R175 C176	P146-G172 WeakPolarHBondContact O-CA 2.87Å; P146-G172 PolarHBondContact O-N 2.78Å; C148-G172 WeakPolarHBondContact SG-CA 3.32Å; T170-G172 PolarHBondContact O-N 3.19Å; G172-G174 PolarHBondContact O-N 2.8Å; G172-R175 CarbonylContact O-C 3.56Å; G172-R175 WeakPolarHBondContact O-CA 3.43Å; G172-R175 PolarHBondContact O-N 3.05Å; G172-C176 PolarHBondContact O-N 3.43Å
173	K	93.2	Very high	94.8	Very high	124 Å²	124	54.3 Å²	54.3	54%	0.539	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	126	177.3	-70.8	-178.9	-178.2	179	0	110.2	S171 R175 F178	S171-K173 VanDerWaalsContact C-N 3.35Å; S171-K173 WeakPolarHBondContact OG-CG 3.2Å; S171-K173 PolarHBondContact OG-N 2.96Å; K173-R175 PolarHBondContact O-N 3.2Å; K173-F178 HydrophobicContact CD-CZ 4.44Å; K173-F178 HydrophobicContact CG-CZ 4.02Å
174	G	91.2	Very high	94.8	Very high	5 Å²	5	53.3 Å²	53.3	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-1.5	-174.1	0	0	0	0	0	115.2	G172 L197 L211	G172-G174 PolarHBondContact O-N 2.8Å; G174-L197 WeakPolarHBondContact O-CD2 3.38Å; G174-L211 VanDerWaalsContact O-CD1 3.28Å; G174-L211 WeakPolarHBondContact O-CD1 3.48Å
175	R	94.8	Very high	94.8	Very high	47 Å²	47	52.1 Å²	52.1	18%	0.177	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-12.8	174.4	-61.7	-176.9	177.7	-176.3	-2.4	113.1	V127 C148 G172 K173 L193 I195 L211 N212	V127-R175 VanDerWaalsContact CG2-O 3.27Å; V127-R175 WeakPolarHBondContact CG2-O 3.49Å; C148-R175 WeakPolarHBondContact SG-CB 3.49Å; G172-R175 CarbonylContact O-C 3.56Å; G172-R175 WeakPolarHBondContact O-CA 3.43Å; G172-R175 PolarHBondContact O-N 3.05Å; K173-R175 PolarHBondContact O-N 3.2Å; R175-L193 HydrophobicContact CB-CD2 4.1Å; R175-L193 HydrophobicContact CG-CD2 4.11Å; R175-I195 WeakPolarHBondContact O-CD1 3.25Å; R175-L211 HydrophobicContact CG-CD1 4.38Å; R175-L211 HydrophobicContact CG-CD2 3.68Å; R175-L211 HydrophobicContact CG-CG 4.43Å; R175-N212 PolarHBondContact NH2-O 3.16Å
176	C	96.7	Very high	94.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-153.9	142.6	176.3	176.2	0	0	0	0	108.8	C139 G140 P146 G172 L197	C139-C176 HydrophobicContact CB-CB 3.68Å; G140-C176 VanDerWaalsContact CA-SG 3.59Å; P146-C176 HydrophobicContact CB-CB 4.09Å; G172-C176 PolarHBondContact O-N 3.43Å; C176-L197 VanDerWaalsContact C-CD1 3.47Å; C176-L197 WeakPolarHBondContact O-CD1 3.48Å
177	P	97.2	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.			trans	-64.8	160.3	174.4	28.9	-37.5	0	0	0	111.9	K126 P146 C184	K126-P177 HydrophobicContact CB-CG 4.27Å; K126-P177 HydrophobicContact CG-CG 4.09Å; P146-P177 WeakPolarHBondContact CG-O 3.5Å; P177-C184 HydrophobicContact CG-CB 4.06Å
178	F	96.5	Very high	95.1	Very high	20 Å²	20	34.6 Å²	34.6	9%	0.088	20%	0.196	C	C	.	.	S	Bend	trans	-77.5	-49.1	172.7	-73.8	-101.3	0	0	0	111.4	T141 F144 P146 K173 T199 Y201	T141-F178 WeakPolarHBondContact CB-O 3.21Å; F144-F178 HydrophobicContact CD1-CB 4.03Å; F144-F178 WeakPolarHBondContact O-CD1 3.11Å; P146-F178 VanDerWaalsContact CD-CD1 3.48Å; P146-F178 VanDerWaalsContact CD-CE1 3.41Å; P146-F178 HydrophobicContact CG-CD1 4.01Å; P146-F178 HydrophobicContact CG-CD2 4.03Å; P146-F178 HydrophobicContact CG-CE1 4.16Å; P146-F178 HydrophobicContact CG-CE2 4.17Å; P146-F178 HydrophobicContact CG-CG 3.93Å; P146-F178 HydrophobicContact CG-CZ 4.24Å; K173-F178 HydrophobicContact CD-CZ 4.44Å; K173-F178 HydrophobicContact CG-CZ 4.02Å; F178-T199 WeakPolarHBondContact CE2-O 3.49Å; F178-Y201 AromaticContact CD1-CD2 4Å; F178-Y201 HydrophobicContact CD1-CD2 4Å
179	D	95.4	Very high	94.9	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.08	21%	0.207	C	C	.	.	S	Bend	trans	-82.5	130.8	180	-164.4	-53.4	0	0	0	110.6	R116 F144 N181 S182	R116-D179 IonicContact NH1-OD2 2.79Å; R116-D179 PolarHBondContact NH1-OD2 2.88Å; F144-D179 HydrophobicContact CE1-CB 3.84Å; F144-D179 HydrophobicContact CZ-CB 4.3Å; D179-N181 PolarHBondContact O-N 3.08Å; D179-N181 WeakPolarHBondContact OD1-CB 3.37Å; D179-N181 PolarHBondContact OD1-N 2.86Å; D179-S182 VanDerWaalsContact O-CB 3.25Å; D179-S182 WeakPolarHBondContact O-CB 3.31Å; D179-S182 PolarHBondContact O-N 2.79Å
180	P	94.4	Very high	94.5	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.045	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.2	177	26.6	-35.7	0	0	0	114.2	Y124 K126 T141 S182	Y124-P180 HydrophobicContact CD1-CB 4.07Å; Y124-P180 HydrophobicContact CD2-CB 3.5Å; Y124-P180 VanDerWaalsContact CD2-CB 3.5Å; Y124-P180 HydrophobicContact CD2-CG 3.95Å; Y124-P180 HydrophobicContact CE1-CB 4.45Å; Y124-P180 HydrophobicContact CE2-CB 3.91Å; Y124-P180 HydrophobicContact CE2-CG 3.95Å; Y124-P180 HydrophobicContact CG-CB 3.57Å; Y124-P180 HydrophobicContact CG-CG 4.48Å; K126-P180 PolarHBondContact NZ-O 2.82Å; T141-P180 HydrophobicContact CG2-CB 4.35Å; P180-S182 VanDerWaalsContact C-N 3.33Å
181	N	93.7	Very high	94.2	Very high	135 Å²	135	40.4 Å²	40.4	72%	0.722	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.2	178.4	-61.8	-46	0	0	0	112.7	D179	D179-N181 PolarHBondContact O-N 3.08Å; D179-N181 WeakPolarHBondContact OD1-CB 3.37Å; D179-N181 PolarHBondContact OD1-N 2.86Å
182	S	95.2	Very high	94.1	Very high	4 Å²	4	39 Å²	39	3%	0.028	19%	0.193	C	C	.	.	S	Bend	trans	-59.8	140.3	176.7	-152	0	0	0	0	111.8	K126 D179 P180 E203	K126-S182 PolarHBondContact NZ-O 2.88Å; K126-S182 VanDerWaalsContact NZ-O 3.1Å; D179-S182 VanDerWaalsContact O-CB 3.25Å; D179-S182 WeakPolarHBondContact O-CB 3.31Å; D179-S182 PolarHBondContact O-N 2.79Å; P180-S182 VanDerWaalsContact C-N 3.33Å; S182-E203 WeakPolarHBondContact CA-OE1 3.29Å; S182-E203 WeakPolarHBondContact CB-OE1 3.47Å; S182-E203 PolarHBondContact OG-OE1 2.8Å
183	S	94.9	Very high	94.2	Very high	30 Å²	30	39.2 Å²	39.2	21%	0.21	19%	0.194	C	C	.	.			trans	-65.8	136.3	171.2	72.7	0	0	0	0	110.3	F232	S183-F232 PolarHBondContact OG-N 2.57Å
184	C	95.7	Very high	94.4	Very high	29 Å²	29	33.4 Å²	33.4	20%	0.196	17%	0.169	C	C	.	.			trans	-151.3	133.9	-178.3	-179.4	0	0	0	0	108.4	P177 G196	P177-C184 HydrophobicContact CG-CB 4.06Å; C184-G196 WeakPolarHBondContact CA-O 3.08Å
185	M	96.1	Very high	94.7	Very high	9 Å²	9	33.2 Å²	33.2	4%	0.044	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.1	172	58.5	100.8	136.3	0	0	109.6	I195 G196 L208 F232 G234 S235 F251	M185-I195 VanDerWaalsContact O-CA 3.31Å; M185-I195 WeakPolarHBondContact O-CA 3.45Å; M185-I195 VanDerWaalsContact O-CG1 3.29Å; M185-I195 WeakPolarHBondContact O-CG1 3.2Å; M185-G196 PolarHBondContact N-O 3.04Å; M185-G196 VanDerWaalsContact N-O 3.12Å; M185-G196 PolarHBondContact O-N 3.18Å; M185-L208 HydrophobicContact CE-CD2 4.42Å; M185-F232 HydrophobicContact CE-CB 4.44Å; M185-F232 HydrophobicContact CE-CD1 4.45Å; M185-F232 HydrophobicContact CG-CB 3.6Å; M185-G234 WeakPolarHBondContact CE-O 3.11Å; M185-G234 VanDerWaalsContact SD-O 3.4Å; M185-S235 WeakPolarHBondContact SD-CB 3.34Å; M185-S235 PolarHBondContact SD-OG 3.12Å; M185-S235 VanDerWaalsContact SD-OG 3.38Å; M185-F251 HydrophobicContact CE-CB 3.67Å; M185-F251 HydrophobicContact CE-CD1 3.59Å; M185-F251 HydrophobicContact CE-CG 4.12Å; M185-F251 HydrophobicContact SD-CD1 3.79Å; M185-F251 HydrophobicContact SD-CE1 4.47Å
186	S	96.8	Very high	94.9	Very high	25 Å²	25	31 Å²	31	18%	0.175	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	149.9	-175.2	59.3	0	0	0	0	112.1	Q129 Y194	Q129-S186 PolarHBondContact NE2-O 2.67Å; Q129-S186 PolarHBondContact NE2-OG 3.14Å; S186-Y194 CarbonylContact C-O 3.45Å; S186-Y194 VanDerWaalsContact CA-O 3.27Å; S186-Y194 WeakPolarHBondContact CA-O 3.43Å
187	T	96.2	Very high	94.9	Very high	26 Å²	26	31 Å²	31	16%	0.16	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.7	167.1	-168.3	0	0	0	0	108.9	Y194 S235 V237 V249	T187-Y194 HydrophobicContact CG2-CD2 4.48Å; T187-Y194 PolarHBondContact N-O 3.42Å; T187-Y194 PolarHBondContact O-N 3.47Å; T187-S235 PolarHBondContact N-OG 3.1Å; T187-V237 HydrophobicContact CG2-CG2 4.01Å; T187-V249 HydrophobicContact CG2-CG1 4.1Å
188	L	95.1	Very high	94.9	Very high	24 Å²	24	32.5 Å²	32.5	13%	0.126	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.2	178	-167.4	93.4	0	0	0	110.3	Q129 K130 Y131 L137 E192 L193	Q129-L188 HydrophobicContact CB-CB 3.79Å; Q129-L188 HydrophobicContact CB-CD2 4.43Å; Q129-L188 HydrophobicContact CG-CB 4.09Å; K130-L188 WeakPolarHBondContact O-CD2 3.31Å; Y131-L188 VanDerWaalsContact CA-CD2 3.43Å; Y131-L188 HydrophobicContact CD2-CD2 4.02Å; L137-L188 HydrophobicContact CD2-CD1 3.99Å; L188-E192 WeakPolarHBondContact CA-O 3.27Å; L188-E192 WeakPolarHBondContact CD1-O 3.09Å; L188-L193 HydrophobicContact CD1-CB 3.77Å; L188-L193 HydrophobicContact CD1-CD1 4.09Å
189	R	91.4	Very high	94.8	Very high	106 Å²	106	32.6 Å²	32.6	40%	0.4	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.9	176.7	-169.7	74.5	170.1	-170.3	-4.1	109.5	G191 E192 V237	R189-G191 PolarHBondContact O-N 3.19Å; R189-E192 PolarHBondContact N-O 3.5Å; R189-E192 PolarHBondContact O-N 2.73Å; R189-V237 HydrophobicContact CB-CG2 3.85Å; R189-V237 HydrophobicContact CG-CG1 4.27Å; R189-V237 HydrophobicContact CG-CG2 4.15Å
190	R	86.9	Confident	94.6	Very high	147 Å²	147	33.2 Å²	33.2	56%	0.555	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	38.4	178.4	-60.5	-177.6	-170	159.3	17.3	114.1	E192 D247	R190-E192 VanDerWaalsContact C-N 3.28Å; R190-E192 PolarHBondContact O-N 3.38Å; R190-D247 IonicContact NH2-OD2 3.29Å; R190-D247 PolarHBondContact NH2-OD2 2.98Å
191	G	88.1	Confident	94.5	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.4	178.9	0	0	0	0	0	114.9	R189	R189-G191 PolarHBondContact O-N 3.19Å
192	E	92.7	Very high	94.4	Very high	39 Å²	39	36.3 Å²	36.3	18%	0.182	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.9	174.9	-51.5	-164	121.2	0	0	110.6	L188 R189 R190 Y194 R210 N212	L188-E192 WeakPolarHBondContact CA-O 3.27Å; L188-E192 WeakPolarHBondContact CD1-O 3.09Å; R189-E192 PolarHBondContact N-O 3.5Å; R189-E192 PolarHBondContact O-N 2.73Å; R190-E192 VanDerWaalsContact C-N 3.28Å; R190-E192 PolarHBondContact O-N 3.38Å; E192-Y194 HydrophobicContact CB-CE2 3.85Å; E192-Y194 PolarHBondContact OE2-OH 3.18Å; E192-R210 HydrophobicContact CB-CG 4.17Å; E192-R210 IonicContact OE1-NE 3.26Å; E192-N212 HydrophobicContact CG-CB 4.16Å; E192-N212 PolarHBondContact OE1-ND2 2.93Å
193	L	96.3	Very high	94.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114	177.4	-179.4	67.8	0	0	0	109.4	V127 Q129 L137 R175 L188 I195 R210 L211	V127-L193 HydrophobicContact CG1-CD1 4.43Å; Q129-L193 HydrophobicContact CG-CD1 4.24Å; L137-L193 HydrophobicContact CD2-CD1 4.35Å; L137-L193 HydrophobicContact CD2-CD2 4.17Å; R175-L193 HydrophobicContact CB-CD2 4.1Å; R175-L193 HydrophobicContact CG-CD2 4.11Å; L188-L193 HydrophobicContact CD1-CB 3.77Å; L188-L193 HydrophobicContact CD1-CD1 4.09Å; L193-I195 HydrophobicContact CD2-CD1 4.33Å; L193-I195 HydrophobicContact CG-CB 4.29Å; L193-R210 CarbonylContact O-C 3.54Å; L193-R210 VanDerWaalsContact O-CA 3.25Å; L193-R210 WeakPolarHBondContact O-CA 3.31Å; L193-L211 PolarHBondContact N-O 3.46Å; L193-L211 PolarHBondContact O-N 2.79Å
194	Y	97.8	Very high	94.1	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.3	168.7	-60.8	-95.8	0	0	0	107.8	S186 T187 E192 C209 R210 V249 F251 A276 W289	S186-Y194 CarbonylContact C-O 3.45Å; S186-Y194 VanDerWaalsContact CA-O 3.27Å; S186-Y194 WeakPolarHBondContact CA-O 3.43Å; T187-Y194 HydrophobicContact CG2-CD2 4.48Å; T187-Y194 PolarHBondContact N-O 3.42Å; T187-Y194 PolarHBondContact O-N 3.47Å; E192-Y194 HydrophobicContact CB-CE2 3.85Å; E192-Y194 PolarHBondContact OE2-OH 3.18Å; Y194-C209 CarbonylContact C-O 3.47Å; Y194-C209 WeakPolarHBondContact CA-O 3.49Å; Y194-R210 HydrophobicContact CD1-CB 3.98Å; Y194-R210 HydrophobicContact CD1-CG 4.03Å; Y194-R210 HydrophobicContact CE1-CB 3.99Å; Y194-R210 HydrophobicContact CE1-CG 3.71Å; Y194-R210 HydrophobicContact CE2-CG 4.37Å; Y194-R210 HydrophobicContact CG-CG 4.5Å; Y194-R210 WeakPolarHBondContact OH-CD 3.22Å; Y194-V249 HydrophobicContact CD1-CB 4.03Å; Y194-V249 HydrophobicContact CD1-CG1 3.99Å; Y194-V249 HydrophobicContact CD1-CG2 3.65Å; Y194-V249 HydrophobicContact CD2-CG2 4.15Å; Y194-V249 HydrophobicContact CE1-CB 4.29Å; Y194-V249 HydrophobicContact CE1-CG2 3.52Å; Y194-V249 HydrophobicContact CE2-CG2 4.08Å; Y194-V249 HydrophobicContact CG-CB 4.39Å; Y194-V249 HydrophobicContact CG-CG1 3.94Å; Y194-V249 HydrophobicContact CG-CG2 3.97Å; Y194-F251 HydrophobicContact CD1-CZ 4.33Å; Y194-A276 WeakPolarHBondContact OH-CA 3.36Å; Y194-A276 PolarHBondContact OH-O 3.42Å; Y194-W289 HydrophobicContact CD1-CH2 4.27Å; Y194-W289 HydrophobicContact CE1-CH2 4.1Å
195	I	97.9	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	137.4	-170.4	-167.7	167.7	0	0	0	111.7	V127 R175 M185 L193 L197 L208 C209 L211	V127-I195 HydrophobicContact CG2-CD1 3.91Å; R175-I195 WeakPolarHBondContact O-CD1 3.25Å; M185-I195 VanDerWaalsContact O-CA 3.31Å; M185-I195 WeakPolarHBondContact O-CA 3.45Å; M185-I195 VanDerWaalsContact O-CG1 3.29Å; M185-I195 WeakPolarHBondContact O-CG1 3.2Å; L193-I195 HydrophobicContact CD2-CD1 4.33Å; L193-I195 HydrophobicContact CG-CB 4.29Å; I195-L197 HydrophobicContact CB-CD2 4.13Å; I195-L197 HydrophobicContact CD1-CD2 3.77Å; I195-L197 HydrophobicContact CG1-CD2 3.59Å; I195-L197 HydrophobicContact CG2-CD2 3.56Å; I195-L208 WeakPolarHBondContact O-CA 3.22Å; I195-C209 HydrophobicContact CG2-CB 3.9Å; I195-C209 PolarHBondContact N-O 2.91Å; I195-C209 PolarHBondContact O-N 2.79Å; I195-L211 HydrophobicContact CG2-CD1 3.43Å; I195-L211 VanDerWaalsContact CG2-CD1 3.43Å
196	G	97.9	Very high	94	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.7	166.7	0	0	0	0	0	109.6	C184 M185 A207	C184-G196 WeakPolarHBondContact CA-O 3.08Å; M185-G196 PolarHBondContact N-O 3.04Å; M185-G196 VanDerWaalsContact N-O 3.12Å; M185-G196 PolarHBondContact O-N 3.18Å; G196-A207 WeakPolarHBondContact CA-O 3.34Å
197	L	97.4	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	171.3	178.7	73	149.5	0	0	0	111.6	G174 C176 I195 T199 A207 F232	G174-L197 WeakPolarHBondContact O-CD2 3.38Å; C176-L197 VanDerWaalsContact C-CD1 3.47Å; C176-L197 WeakPolarHBondContact O-CD1 3.48Å; I195-L197 HydrophobicContact CB-CD2 4.13Å; I195-L197 HydrophobicContact CD1-CD2 3.77Å; I195-L197 HydrophobicContact CG1-CD2 3.59Å; I195-L197 HydrophobicContact CG2-CD2 3.56Å; L197-T199 HydrophobicContact CG-CG2 4.25Å; L197-A207 PolarHBondContact N-O 2.56Å; L197-A207 PolarHBondContact O-N 3.33Å; L197-F232 VanDerWaalsContact C-CE2 3.48Å
198	Y	96.8	Very high	94.1	Very high	32 Å²	32	41 Å²	41	13%	0.125	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.7	160.4	-75.5	-91.7	0	0	0	111	E203 G206 A230 F232	Y198-E203 HydrophobicContact CD1-CB 3.9Å; Y198-E203 WeakPolarHBondContact CD1-O 3.49Å; Y198-E203 HydrophobicContact CE1-CB 4.34Å; Y198-E203 WeakPolarHBondContact CE1-O 3.41Å; Y198-E203 HydrophobicContact CG-CB 4.02Å; Y198-E203 HydrophobicContact CG-CG 4.45Å; Y198-G206 VanDerWaalsContact CD1-N 3.33Å; Y198-A230 WeakPolarHBondContact CE2-O 3.48Å; Y198-A230 PolarHBondContact OH-N 3.41Å; Y198-A230 PolarHBondContact OH-O 2.98Å; Y198-F232 HydrophobicContact CD2-CE2 4.31Å; Y198-F232 HydrophobicContact CE2-CE2 4.3Å
199	T	94.1	Very high	94.1	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.135	18%	0.184	C	C	.	.			trans	-91.5	-7	-170.3	59.6	0	0	0	0	114.2	F178 L197 D205 A207	F178-T199 WeakPolarHBondContact CE2-O 3.49Å; L197-T199 HydrophobicContact CG-CG2 4.25Å; T199-D205 PolarHBondContact N-O 3.26Å; T199-D205 WeakPolarHBondContact OG1-CB 3.32Å; T199-D205 VanDerWaalsContact OG1-CG 3.24Å; T199-D205 PolarHBondContact OG1-O 3.05Å; T199-D205 PolarHBondContact OG1-OD2 3.28Å; T199-A207 HydrophobicContact CG2-CB 4.02Å
200	D	91.6	Very high	94.3	Very high	29 Å²	29	35.2 Å²	35.2	16%	0.155	17%	0.167	C	C	.	.	S	Bend	trans	-119.3	164.2	179.4	70.8	-26.7	0	0	0	112.9	W202 E203 N204 D205	D200-W202 PolarHBondContact O-N 3.25Å; D200-E203 PolarHBondContact O-N 3.41Å; D200-E203 WeakPolarHBondContact OD1-CA 3.46Å; D200-E203 PolarHBondContact OD1-N 2.91Å; D200-N204 PolarHBondContact OD1-N 2.91Å; D200-N204 PolarHBondContact OD2-N 2.92Å; D200-D205 HydrophobicContact CB-CB 4.31Å; D200-D205 PolarHBondContact OD1-N 3.32Å
201	Y	91.9	Very high	94.6	Very high	31 Å²	31	28.8 Å²	28.8	12%	0.122	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.6	-177.1	-180	-84.1	0	0	0	113.3	K114 R116 F144 F178	K114-Y201 HydrophobicContact CD-CE2 4.31Å; R116-Y201 WeakPolarHBondContact CG-OH 3.01Å; R116-Y201 PolarHBondContact NE-OH 2.69Å; R116-Y201 PolarHBondContact NH2-O 3.5Å; F144-Y201 HydrophobicContact CB-CD2 3.97Å; F144-Y201 HydrophobicContact CB-CE2 3.52Å; F144-Y201 AromaticContact CD1-CD2 3.99Å; F144-Y201 HydrophobicContact CD1-CD2 3.99Å; F144-Y201 AromaticContact CD1-CE2 3.58Å; F144-Y201 HydrophobicContact CD1-CE2 3.58Å; F144-Y201 HydrophobicContact CG-CD2 4.43Å; F144-Y201 AromaticContact CG-CE2 3.83Å; F144-Y201 HydrophobicContact CG-CE2 3.83Å; F178-Y201 AromaticContact CD1-CD2 4Å; F178-Y201 HydrophobicContact CD1-CD2 4Å
202	W	91.8	Very high	94.4	Very high	175 Å²	175	29.2 Å²	29.2	66%	0.663	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	6.9	-173.3	-58.9	114.9	0	0	0	113.9	D200 N204	D200-W202 PolarHBondContact O-N 3.25Å; W202-N204 VanDerWaalsContact C-N 3.27Å; W202-N204 WeakPolarHBondContact CB-ND2 3.32Å; W202-N204 PolarHBondContact O-N 2.84Å
203	E	92	Very high	93.5	Very high	72 Å²	72	33 Å²	33	34%	0.336	16%	0.161	S	C	.	.	S	Bend	trans	53.8	39	-178.5	-53.7	-166.3	128.3	0	0	114.3	S182 Y198 D200	S182-E203 WeakPolarHBondContact CA-OE1 3.29Å; S182-E203 WeakPolarHBondContact CB-OE1 3.47Å; S182-E203 PolarHBondContact OG-OE1 2.8Å; Y198-E203 HydrophobicContact CD1-CB 3.9Å; Y198-E203 WeakPolarHBondContact CD1-O 3.49Å; Y198-E203 HydrophobicContact CE1-CB 4.34Å; Y198-E203 WeakPolarHBondContact CE1-O 3.41Å; Y198-E203 HydrophobicContact CG-CB 4.02Å; Y198-E203 HydrophobicContact CG-CG 4.45Å; D200-E203 PolarHBondContact O-N 3.41Å; D200-E203 WeakPolarHBondContact OD1-CA 3.46Å; D200-E203 PolarHBondContact OD1-N 2.91Å
204	N	91.9	Very high	92.5	Very high	120 Å²	120	41.2 Å²	41.2	64%	0.642	20%	0.199	S	C	*	.			trans	-99.6	-22.7	175.1	-64.7	-58.2	0	0	0	112.5	D200 W202	D200-N204 PolarHBondContact OD1-N 2.91Å; D200-N204 PolarHBondContact OD2-N 2.92Å; W202-N204 VanDerWaalsContact C-N 3.27Å; W202-N204 WeakPolarHBondContact CB-ND2 3.32Å; W202-N204 PolarHBondContact O-N 2.84Å
205	D	93.6	Very high	91.7	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.059	21%	0.214	C	C	.	.			trans	-110.4	70.6	-173.7	-167.2	20.2	0	0	0	112.6	T199 D200 R218 R221	T199-D205 PolarHBondContact N-O 3.26Å; T199-D205 WeakPolarHBondContact OG1-CB 3.32Å; T199-D205 VanDerWaalsContact OG1-CG 3.24Å; T199-D205 PolarHBondContact OG1-O 3.05Å; T199-D205 PolarHBondContact OG1-OD2 3.28Å; D200-D205 HydrophobicContact CB-CB 4.31Å; D200-D205 PolarHBondContact OD1-N 3.32Å; D205-R218 VanDerWaalsContact CG-NH2 3.28Å; D205-R218 IonicContact OD1-CZ 3.15Å; D205-R218 IonicContact OD1-NH1 3.94Å; D205-R218 IonicContact OD1-NH2 3.09Å; D205-R218 PolarHBondContact OD1-NH2 2.88Å; D205-R218 IonicContact OD2-CZ 2.85Å; D205-R218 IonicContact OD2-NH1 3.34Å; D205-R218 PolarHBondContact OD2-NH1 2.92Å; D205-R218 IonicContact OD2-NH2 3.02Å; D205-R218 PolarHBondContact OD2-NH2 3.41Å; D205-R218 VanDerWaalsContact OD2-NH2 3.14Å; D205-R221 WeakPolarHBondContact OD1-CG 3.26Å; D205-R221 IonicContact OD2-NE 3.9Å; D205-R221 PolarHBondContact OD2-NE 2.93Å
206	G	95.7	Very high	91.4	Very high	18 Å²	18	47.3 Å²	47.3	19%	0.186	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	126.1	172.4	0	0	0	0	0	111.7	Y198	Y198-G206 VanDerWaalsContact CD1-N 3.33Å
207	A	96.8	Very high	91.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.9	-174.7	0	0	0	0	0	113.5	G196 L197 T199 T219	G196-A207 WeakPolarHBondContact CA-O 3.34Å; L197-A207 PolarHBondContact N-O 2.56Å; L197-A207 PolarHBondContact O-N 3.33Å; T199-A207 HydrophobicContact CG2-CB 4.02Å; A207-T219 WeakPolarHBondContact CA-OG1 3.32Å
208	L	97.8	Very high	91.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.2	163.6	-61.2	173.7	0	0	0	108.2	M185 I195 R218 T219 L227 F232 F251 F253 W289 F292	M185-L208 HydrophobicContact CE-CD2 4.42Å; I195-L208 WeakPolarHBondContact O-CA 3.22Å; L208-R218 CarbonylContact O-C 3.56Å; L208-R218 VanDerWaalsContact O-CA 3.27Å; L208-R218 WeakPolarHBondContact O-CA 3.36Å; L208-T219 HydrophobicContact CB-CG2 4Å; L208-T219 PolarHBondContact N-OG1 2.86Å; L208-T219 PolarHBondContact O-N 2.91Å; L208-L227 HydrophobicContact CD1-CD2 4.25Å; L208-L227 HydrophobicContact CG-CD1 4.1Å; L208-L227 HydrophobicContact CG-CD2 4.43Å; L208-F232 HydrophobicContact CD2-CD1 3.76Å; L208-F232 HydrophobicContact CD2-CE1 3.5Å; L208-F232 VanDerWaalsContact CD2-CE1 3.5Å; L208-F232 HydrophobicContact CG-CE1 4.11Å; L208-F251 HydrophobicContact CD1-CB 4.09Å; L208-F251 HydrophobicContact CD1-CD2 3.92Å; L208-F251 HydrophobicContact CD1-CE2 4.45Å; L208-F251 HydrophobicContact CD1-CG 3.96Å; L208-F251 HydrophobicContact CD2-CB 4.13Å; L208-F251 HydrophobicContact CD2-CD1 3.7Å; L208-F251 HydrophobicContact CD2-CD2 4.48Å; L208-F251 HydrophobicContact CD2-CE1 4.18Å; L208-F251 HydrophobicContact CD2-CG 3.87Å; L208-F251 HydrophobicContact CG-CG 4.46Å; L208-F253 HydrophobicContact CD1-CE1 4.37Å; L208-W289 PolarHBondContact O-NE1 2.89Å; L208-F292 HydrophobicContact CD1-CD2 4.24Å; L208-F292 HydrophobicContact CD1-CE2 3.45Å; L208-F292 VanDerWaalsContact CD1-CE2 3.45Å; L208-F292 HydrophobicContact CD1-CZ 4.08Å
209	C	96	Very high	91.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.7	-172	-57.9	0	0	0	0	111.8	Y194 I195 L211 Y216 T217 R218	Y194-C209 CarbonylContact C-O 3.47Å; Y194-C209 WeakPolarHBondContact CA-O 3.49Å; I195-C209 HydrophobicContact CG2-CB 3.9Å; I195-C209 PolarHBondContact N-O 2.91Å; I195-C209 PolarHBondContact O-N 2.79Å; C209-L211 HydrophobicContact CB-CD1 3.78Å; C209-Y216 HydrophobicContact CB-CE2 4.08Å; C209-Y216 PolarHBondContact SG-OH 2.04Å; C209-T217 CarbonylContact C-O 3.59Å; C209-T217 VanDerWaalsContact CA-O 3.23Å; C209-T217 WeakPolarHBondContact CA-O 3.3Å; C209-R218 HydrophobicContact CB-CB 4.44Å
210	R	95.9	Very high	91.2	Very high	9 Å²	9	47.2 Å²	47.2	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.1	159.7	-179.6	-167.5	70.4	-168.1	-9.4	109.5	E192 L193 Y194 Y216 T217 A276 D278 W289	E192-R210 HydrophobicContact CB-CG 4.17Å; E192-R210 IonicContact OE1-NE 3.26Å; L193-R210 CarbonylContact O-C 3.54Å; L193-R210 VanDerWaalsContact O-CA 3.25Å; L193-R210 WeakPolarHBondContact O-CA 3.31Å; Y194-R210 HydrophobicContact CD1-CB 3.98Å; Y194-R210 HydrophobicContact CD1-CG 4.03Å; Y194-R210 HydrophobicContact CE1-CB 3.99Å; Y194-R210 HydrophobicContact CE1-CG 3.71Å; Y194-R210 HydrophobicContact CE2-CG 4.37Å; Y194-R210 HydrophobicContact CG-CG 4.5Å; Y194-R210 WeakPolarHBondContact OH-CD 3.22Å; R210-Y216 WeakPolarHBondContact O-CA 3.4Å; R210-T217 PolarHBondContact N-O 2.85Å; R210-T217 PolarHBondContact NH2-OG1 3.34Å; R210-T217 PolarHBondContact O-N 2.88Å; R210-A276 PolarHBondContact NH1-O 2.78Å; R210-D278 PolarHBondContact NH1-O 2.77Å; R210-D278 PolarHBondContact NH2-O 3.25Å; R210-W289 HydrophobicContact CB-CH2 3.37Å; R210-W289 HydrophobicContact CB-CZ2 3.68Å; R210-W289 HydrophobicContact CB-CZ3 4.46Å; R210-W289 HydrophobicContact CG-CH2 4.36Å
211	L	92.9	Very high	91.2	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130	-179.9	-55.3	99.6	0	0	0	109.9	G174 R175 L193 I195 C209 Y216	G174-L211 VanDerWaalsContact O-CD1 3.28Å; G174-L211 WeakPolarHBondContact O-CD1 3.48Å; R175-L211 HydrophobicContact CG-CD1 4.38Å; R175-L211 HydrophobicContact CG-CD2 3.68Å; R175-L211 HydrophobicContact CG-CG 4.43Å; L193-L211 PolarHBondContact N-O 3.46Å; L193-L211 PolarHBondContact O-N 2.79Å; I195-L211 HydrophobicContact CG2-CD1 3.43Å; I195-L211 VanDerWaalsContact CG2-CD1 3.43Å; C209-L211 HydrophobicContact CB-CD1 3.78Å; L211-Y216 HydrophobicContact CD1-CE2 4.46Å; L211-Y216 HydrophobicContact CD2-CD2 3.55Å; L211-Y216 HydrophobicContact CD2-CE2 3.67Å; L211-Y216 HydrophobicContact CG-CD2 3.69Å; L211-Y216 HydrophobicContact CG-CE2 3.93Å
212	N	84.4	Confident	91	Very high	35 Å²	35	57.6 Å²	57.6	19%	0.187	27%	0.274	C	S	.	.			trans	-129.4	-167.1	160.3	65.9	27.8	0	0	0	108.6	R175 E192 H214 T215	R175-N212 PolarHBondContact NH2-O 3.16Å; E192-N212 HydrophobicContact CG-CB 4.16Å; E192-N212 PolarHBondContact OE1-ND2 2.93Å; N212-H214 PolarHBondContact O-N 3.05Å; N212-H214 PolarHBondContact OD1-N 3.06Å; N212-T215 PolarHBondContact N-O 2.9Å; N212-T215 VanDerWaalsContact N-O 3.16Å; N212-T215 PolarHBondContact ND2-OG1 2.95Å; N212-T215 WeakPolarHBondContact OD1-CA 3.44Å; N212-T215 PolarHBondContact OD1-N 3.35Å; N212-T215 PolarHBondContact OD1-O 3.49Å; N212-T215 PolarHBondContact OD1-OG1 2.81Å
213	N	72.9	Confident	90.9	Very high	118 Å²	118	50.9 Å²	50.9	63%	0.631	25%	0.251	S	S	*	.	S	Bend	trans	-72.3	-13.8	-177.9	-73.5	-5.1	0	0	0	114
214	H	74.9	Confident	90.8	Very high	177 Å²	177	55.7 Å²	55.7	82%	0.819	27%	0.266	S	S	*	.	S	Bend	trans	-127.2	-20.2	-170.8	-59.1	-56	0	0	0	114.4	N212	N212-H214 PolarHBondContact O-N 3.05Å; N212-H214 PolarHBondContact OD1-N 3.06Å
215	T	82	Confident	90.7	Very high	55 Å²	55	53.4 Å²	53.4	34%	0.337	25%	0.252	S	S	.	.			trans	-135.2	144.3	-171.2	67.5	0	0	0	0	110.7	N212	N212-T215 PolarHBondContact N-O 2.9Å; N212-T215 VanDerWaalsContact N-O 3.16Å; N212-T215 PolarHBondContact ND2-OG1 2.95Å; N212-T215 WeakPolarHBondContact OD1-CA 3.44Å; N212-T215 PolarHBondContact OD1-N 3.35Å; N212-T215 PolarHBondContact OD1-O 3.49Å; N212-T215 PolarHBondContact OD1-OG1 2.81Å
216	Y	91.8	Very high	90.7	Very high	76 Å²	76	53.3 Å²	53.3	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	109.1	177.3	176.9	-110.2	0	0	0	107.6	C209 R210 L211 R218 N287	C209-Y216 HydrophobicContact CB-CE2 4.08Å; C209-Y216 PolarHBondContact SG-OH 2.04Å; R210-Y216 WeakPolarHBondContact O-CA 3.4Å; L211-Y216 HydrophobicContact CD1-CE2 4.46Å; L211-Y216 HydrophobicContact CD2-CD2 3.55Å; L211-Y216 HydrophobicContact CD2-CE2 3.67Å; L211-Y216 HydrophobicContact CG-CD2 3.69Å; L211-Y216 HydrophobicContact CG-CE2 3.93Å; Y216-R218 HydrophobicContact CE1-CB 4.27Å; Y216-R218 HydrophobicContact CE1-CG 3.83Å; Y216-R218 WeakPolarHBondContact OH-CD 3.47Å; Y216-N287 VanDerWaalsContact O-CB 3.3Å; Y216-N287 WeakPolarHBondContact O-CB 3.29Å
217	T	94.8	Very high	90.6	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.2	177.4	-51.3	0	0	0	0	108.4	C209 R210 W289	C209-T217 CarbonylContact C-O 3.59Å; C209-T217 VanDerWaalsContact CA-O 3.23Å; C209-T217 WeakPolarHBondContact CA-O 3.3Å; R210-T217 PolarHBondContact N-O 2.85Å; R210-T217 PolarHBondContact NH2-OG1 3.34Å; R210-T217 PolarHBondContact O-N 2.88Å; T217-W289 HydrophobicContact CG2-CD2 3.62Å; T217-W289 HydrophobicContact CG2-CE3 3.57Å; T217-W289 HydrophobicContact CG2-CG 4.21Å; T217-W289 HydrophobicContact CG2-CH2 4.25Å; T217-W289 HydrophobicContact CG2-CZ2 4.26Å; T217-W289 HydrophobicContact CG2-CZ3 3.9Å
218	R	95.6	Very high	90.5	Very high	19 Å²	19	53.9 Å²	53.9	7%	0.072	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	164.3	179.2	60.9	168.1	-71.2	171.1	-1.5	113.4	D205 L208 C209 Y216 N287 R288 W289	D205-R218 VanDerWaalsContact CG-NH2 3.28Å; D205-R218 IonicContact OD1-CZ 3.15Å; D205-R218 IonicContact OD1-NH1 3.94Å; D205-R218 IonicContact OD1-NH2 3.09Å; D205-R218 PolarHBondContact OD1-NH2 2.88Å; D205-R218 IonicContact OD2-CZ 2.85Å; D205-R218 IonicContact OD2-NH1 3.34Å; D205-R218 PolarHBondContact OD2-NH1 2.92Å; D205-R218 IonicContact OD2-NH2 3.02Å; D205-R218 PolarHBondContact OD2-NH2 3.41Å; D205-R218 VanDerWaalsContact OD2-NH2 3.14Å; L208-R218 CarbonylContact O-C 3.56Å; L208-R218 VanDerWaalsContact O-CA 3.27Å; L208-R218 WeakPolarHBondContact O-CA 3.36Å; C209-R218 HydrophobicContact CB-CB 4.44Å; Y216-R218 HydrophobicContact CE1-CB 4.27Å; Y216-R218 HydrophobicContact CE1-CG 3.83Å; Y216-R218 WeakPolarHBondContact OH-CD 3.47Å; R218-N287 PolarHBondContact N-O 3.15Å; R218-R288 VanDerWaalsContact O-CA 3.27Å; R218-R288 WeakPolarHBondContact O-CA 3.41Å; R218-R288 VanDerWaalsContact O-CD 3.22Å; R218-R288 WeakPolarHBondContact O-CD 3.5Å; R218-W289 PolarHBondContact O-N 3.03Å
219	T	96.7	Very high	90.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-60.2	154.5	162	47.1	0	0	0	0	111.2	A207 L208 L227 W289 F292	A207-T219 WeakPolarHBondContact CA-OG1 3.32Å; L208-T219 HydrophobicContact CB-CG2 4Å; L208-T219 PolarHBondContact N-OG1 2.86Å; L208-T219 PolarHBondContact O-N 2.91Å; T219-L227 HydrophobicContact CG2-CD1 4Å; T219-L227 HydrophobicContact CG2-CG 4.43Å; T219-L227 WeakPolarHBondContact OG1-CD1 3.25Å; T219-W289 VanDerWaalsContact N-CD1 3.33Å; T219-F292 HydrophobicContact CG2-CD1 4.5Å; T219-F292 HydrophobicContact CG2-CG 4.46Å
220	E	94.6	Very high	90.3	Very high	31 Å²	31	59.3 Å²	59.3	15%	0.145	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.5	140.8	177.9	-73.6	-171	78.3	0	0	111.4	D223 L285 R288 R411	E220-D223 HydrophobicContact CB-CB 3.86Å; E220-L285 WeakPolarHBondContact OE2-CD2 3.49Å; E220-R288 HydrophobicContact CG-CG 4.09Å; E220-R411 IonicContact OE1-CZ 3.34Å; E220-R411 VanDerWaalsContact OE1-CZ 3.28Å; E220-R411 IonicContact OE1-NE 3.68Å; E220-R411 PolarHBondContact OE1-NE 3.43Å; E220-R411 VanDerWaalsContact OE1-NE 3.09Å; E220-R411 IonicContact OE1-NH2 2.88Å; E220-R411 PolarHBondContact OE1-NH2 2.79Å; E220-R411 WeakPolarHBondContact OE2-CD 3.03Å; E220-R411 VanDerWaalsContact OE2-CG 3.24Å; E220-R411 WeakPolarHBondContact OE2-CG 3.22Å; E220-R411 IonicContact OE2-CZ 3.98Å; E220-R411 IonicContact OE2-NE 3.45Å; E220-R411 PolarHBondContact OE2-NE 2.61Å; E220-R411 IonicContact OE2-NH2 2.7Å
221	R	92.3	Very high	90.3	Very high	143 Å²	143	62 Å²	62	54%	0.54	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	137.8	179.8	-176.9	168.9	-172.6	-166	6.2	109.5	D205 D223	D205-R221 WeakPolarHBondContact OD1-CG 3.26Å; D205-R221 IonicContact OD2-NE 3.9Å; D205-R221 PolarHBondContact OD2-NE 2.93Å; R221-D223 PolarHBondContact O-N 3.22Å
222	N	86.5	Confident	90.6	Very high	135 Å²	135	61.7 Å²	61.7	72%	0.722	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	15.2	-179.4	-52.2	-24.4	0	0	0	114.5	R224	N222-R224 PolarHBondContact O-N 3.24Å
223	D	90.8	Very high	91.2	Very high	35 Å²	35	61.3 Å²	61.3	19%	0.187	28%	0.284	C	S	.	.			trans	-88.8	94.7	173.8	-171	-26.6	0	0	0	110.5	E220 R221 Q225 Q226 L227	E220-D223 HydrophobicContact CB-CB 3.86Å; R221-D223 PolarHBondContact O-N 3.22Å; D223-Q225 PolarHBondContact O-N 3.47Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.26Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.35Å; D223-Q225 PolarHBondContact OD1-N 2.91Å; D223-Q226 HydrophobicContact CB-CB 4.34Å; D223-Q226 HydrophobicContact CB-CG 4.34Å; D223-Q226 PolarHBondContact O-N 3.42Å; D223-Q226 VanDerWaalsContact O-N 3.13Å; D223-Q226 PolarHBondContact OD1-N 3.25Å; D223-L227 PolarHBondContact O-N 3.4Å
224	R	88.9	Confident	92.4	Very high	172 Å²	172	56.1 Å²	56.1	65%	0.649	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.6	179	-66.5	-176.2	175.1	171.1	-3.9	113.7	N222 L227 N228	N222-R224 PolarHBondContact O-N 3.24Å; R224-L227 WeakPolarHBondContact CA-O 3.46Å; R224-N228 HydrophobicContact CB-CB 4.36Å
225	Q	88.9	Confident	93.5	Very high	73 Å²	73	48.9 Å²	48.9	34%	0.341	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.7	174	-60.9	-168.8	-8.6	0	0	111.1	D223 K294 S412 P414	D223-Q225 PolarHBondContact O-N 3.47Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.26Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.35Å; D223-Q225 PolarHBondContact OD1-N 2.91Å; Q225-K294 WeakPolarHBondContact O-CE 3.32Å; Q225-K294 PolarHBondContact O-NZ 3.1Å; Q225-S412 PolarHBondContact OE1-O 3.21Å; Q225-P414 HydrophobicContact CB-CG 3.97Å
226	Q	93.6	Very high	94.2	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.037	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-53.5	174	-67.5	-175	8.7	0	0	111.4	D223 F292 K294 P414	D223-Q226 HydrophobicContact CB-CB 4.34Å; D223-Q226 HydrophobicContact CB-CG 4.34Å; D223-Q226 PolarHBondContact O-N 3.42Å; D223-Q226 VanDerWaalsContact O-N 3.13Å; D223-Q226 PolarHBondContact OD1-N 3.25Å; Q226-F292 HydrophobicContact CB-CD1 4.37Å; Q226-F292 HydrophobicContact CB-CE1 4.01Å; Q226-F292 HydrophobicContact CG-CD1 4.22Å; Q226-F292 HydrophobicContact CG-CE1 4.3Å; Q226-K294 WeakPolarHBondContact O-CE 3.39Å; Q226-K294 PolarHBondContact O-NZ 3.01Å; Q226-P414 HydrophobicContact CG-CB 4.26Å; Q226-P414 HydrophobicContact CG-CG 4.28Å
227	L	95.1	Very high	94.4	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.089	21%	0.212	C	C	.	.			trans	-145.6	133.2	-179.3	-64.7	172.8	0	0	0	110.9	L208 T219 D223 R224 A230 F253 F292	L208-L227 HydrophobicContact CD1-CD2 4.25Å; L208-L227 HydrophobicContact CG-CD1 4.1Å; L208-L227 HydrophobicContact CG-CD2 4.43Å; T219-L227 HydrophobicContact CG2-CD1 4Å; T219-L227 HydrophobicContact CG2-CG 4.43Å; T219-L227 WeakPolarHBondContact OG1-CD1 3.25Å; D223-L227 PolarHBondContact O-N 3.4Å; R224-L227 WeakPolarHBondContact CA-O 3.46Å; L227-A230 HydrophobicContact CD2-CB 4.34Å; L227-F253 HydrophobicContact CD2-CD2 4.31Å; L227-F253 HydrophobicContact CD2-CE1 4.46Å; L227-F253 HydrophobicContact CD2-CE2 3.67Å; L227-F253 HydrophobicContact CD2-CZ 3.77Å; L227-F292 HydrophobicContact CD2-CZ 4.49Å
228	N	93.6	Very high	94.5	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.07	21%	0.212	C	C	.	.	S	Bend	trans	-131.8	101.9	177.5	-171.8	38.9	0	0	0	111.8	R224 A230 E255 R256	R224-N228 HydrophobicContact CB-CB 4.36Å; N228-A230 PolarHBondContact O-N 3.23Å; N228-E255 WeakPolarHBondContact O-CB 3.45Å; N228-R256 PolarHBondContact ND2-O 2.83Å; N228-R256 PolarHBondContact O-N 2.88Å
229	E	93.6	Very high	94.4	Very high	110 Å²	110	44.6 Å²	44.6	51%	0.514	21%	0.214	S	C	.	.	S	Bend	trans	49.1	58	-178.4	-65.2	179.3	-147	0	0	112.6	R256	E229-R256 HydrophobicContact CB-CG 4.29Å; E229-R256 WeakPolarHBondContact OE2-CD 3.45Å; E229-R256 IonicContact OE2-CZ 3.16Å; E229-R256 IonicContact OE2-NE 2.8Å; E229-R256 PolarHBondContact OE2-NE 3.21Å; E229-R256 IonicContact OE2-NH2 2.71Å
230	A	95.9	Very high	94.1	Very high	4 Å²	4	46 Å²	46	3%	0.033	22%	0.221	C	C	.	.			trans	-81.9	133.7	-170.2	0	0	0	0	0	113.4	Y198 L227 N228 F232 F253 T254	Y198-A230 WeakPolarHBondContact CE2-O 3.48Å; Y198-A230 PolarHBondContact OH-N 3.41Å; Y198-A230 PolarHBondContact OH-O 2.98Å; L227-A230 HydrophobicContact CD2-CB 4.34Å; N228-A230 PolarHBondContact O-N 3.23Å; A230-F232 HydrophobicContact CB-CE1 4.04Å; A230-F232 HydrophobicContact CB-CZ 4.02Å; A230-F253 HydrophobicContact CB-CD2 4Å; A230-T254 CarbonylContact C-O 3.47Å; A230-T254 WeakPolarHBondContact CA-O 3.16Å
231	K	97.1	Very high	93.9	Very high	66 Å²	66	46.3 Å²	46.3	29%	0.287	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.6	164.2	176.6	-164.2	177.7	-164	0	108.3	F253 T254 D313 L314 E315	K231-F253 CarbonylContact O-C 3.54Å; K231-F253 WeakPolarHBondContact O-CA 3.39Å; K231-F253 WeakPolarHBondContact O-CB 3.31Å; K231-T254 WeakPolarHBondContact CB-OG1 3.41Å; K231-T254 PolarHBondContact N-O 2.86Å; K231-T254 PolarHBondContact O-N 3.48Å; K231-D313 IonicContact NZ-OD1 3.67Å; K231-D313 PolarHBondContact NZ-OD1 2.84Å; K231-L314 PolarHBondContact NZ-O 3.42Å; K231-E315 IonicContact NZ-OE2 3.44Å; K231-E315 PolarHBondContact NZ-OE2 2.79Å
232	F	98.1	Very high	93.9	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.6	-177.9	-56.5	-74.5	0	0	0	111.1	S183 M185 L197 Y198 L208 A230 F253	S183-F232 PolarHBondContact OG-N 2.57Å; M185-F232 HydrophobicContact CE-CB 4.44Å; M185-F232 HydrophobicContact CE-CD1 4.45Å; M185-F232 HydrophobicContact CG-CB 3.6Å; L197-F232 VanDerWaalsContact C-CE2 3.48Å; Y198-F232 HydrophobicContact CD2-CE2 4.31Å; Y198-F232 HydrophobicContact CE2-CE2 4.3Å; L208-F232 HydrophobicContact CD2-CD1 3.76Å; L208-F232 HydrophobicContact CD2-CE1 3.5Å; L208-F232 VanDerWaalsContact CD2-CE1 3.5Å; L208-F232 HydrophobicContact CG-CE1 4.11Å; A230-F232 HydrophobicContact CB-CE1 4.04Å; A230-F232 HydrophobicContact CB-CZ 4.02Å; F232-F253 HydrophobicContact CD1-CB 4.25Å
233	V	98.2	Very high	94.2	Very high	26 Å²	26	40.8 Å²	40.8	16%	0.158	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-49.2	-172.7	-177.5	0	0	0	0	112.4	F252 L314 V317	V233-F252 PolarHBondContact N-O 2.81Å; V233-L314 HydrophobicContact CB-CD2 3.87Å; V233-L314 HydrophobicContact CB-CG 4.35Å; V233-L314 HydrophobicContact CG1-CD2 3.95Å; V233-L314 HydrophobicContact CG1-CG 4.07Å; V233-L314 HydrophobicContact CG2-CB 4.25Å; V233-L314 HydrophobicContact CG2-CD2 3.96Å; V233-L314 HydrophobicContact CG2-CG 4.13Å; V233-V317 HydrophobicContact CG1-CG1 4.24Å
234	G	97.3	Very high	94.3	Very high	10 Å²	10	46.9 Å²	46.9	10%	0.103	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	160.3	-177.7	0	0	0	0	0	114.4	M185 F252	M185-G234 WeakPolarHBondContact CE-O 3.11Å; M185-G234 VanDerWaalsContact SD-O 3.4Å; G234-F252 PolarHBondContact N-O 2.98Å; G234-F252 WeakPolarHBondContact O-CD2 3.24Å; G234-F252 PolarHBondContact O-N 3.16Å
235	S	97.8	Very high	94.5	Very high	24 Å²	24	42.2 Å²	42.2	17%	0.168	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.8	173.5	49.3	0	0	0	0	112.4	M185 T187 Y250	M185-S235 WeakPolarHBondContact SD-CB 3.34Å; M185-S235 PolarHBondContact SD-OG 3.12Å; M185-S235 VanDerWaalsContact SD-OG 3.38Å; T187-S235 PolarHBondContact N-OG 3.1Å; S235-Y250 WeakPolarHBondContact CA-O 3.24Å; S235-Y250 WeakPolarHBondContact CB-O 3.19Å
236	A	97.1	Very high	94.8	Very high	14 Å²	14	39.1 Å²	39.1	12%	0.116	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.8	175	0	0	0	0	0	111.4	I238 Y250 V319	A236-I238 HydrophobicContact CB-CD1 4.19Å; A236-I238 HydrophobicContact CB-CG1 4.05Å; A236-Y250 PolarHBondContact N-O 3.34Å; A236-Y250 PolarHBondContact O-N 2.86Å; A236-V319 HydrophobicContact CB-CG1 4.42Å; A236-V319 HydrophobicContact CB-CG2 3.99Å
237	V	96.1	Very high	94.8	Very high	29 Å²	29	39.2 Å²	39.2	18%	0.176	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.3	167.5	-173.1	0	0	0	0	108.1	T187 R189 K248 V249	T187-V237 HydrophobicContact CG2-CG2 4.01Å; R189-V237 HydrophobicContact CB-CG2 3.85Å; R189-V237 HydrophobicContact CG-CG1 4.27Å; R189-V237 HydrophobicContact CG-CG2 4.15Å; V237-K248 WeakPolarHBondContact CA-O 3.48Å; V237-V249 HydrophobicContact CG2-CG2 4.01Å
238	I	96.1	Very high	94.9	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.3	-177.9	-53.8	171.1	0	0	0	107.8	A236 K248 Y250 V319 P328 I330 M351	A236-I238 HydrophobicContact CB-CD1 4.19Å; A236-I238 HydrophobicContact CB-CG1 4.05Å; I238-K248 PolarHBondContact N-O 2.79Å; I238-K248 PolarHBondContact O-N 3.46Å; I238-Y250 HydrophobicContact CB-CD2 3.8Å; I238-Y250 HydrophobicContact CB-CE2 3.79Å; I238-Y250 HydrophobicContact CD1-CD2 3.94Å; I238-Y250 HydrophobicContact CD1-CE2 4.47Å; I238-Y250 HydrophobicContact CD1-CG 4.43Å; I238-Y250 HydrophobicContact CG1-CD2 4.08Å; I238-Y250 HydrophobicContact CG2-CE2 4.5Å; I238-V319 HydrophobicContact CD1-CG1 4.38Å; I238-P328 HydrophobicContact CD1-CG 3.91Å; I238-P328 HydrophobicContact CG1-CG 4.29Å; I238-P328 HydrophobicContact CG2-CG 3.91Å; I238-I330 HydrophobicContact CD1-CD1 4.18Å; I238-M351 HydrophobicContact CD1-CE 4.18Å; I238-M351 HydrophobicContact CD1-SD 3.87Å; I238-M351 HydrophobicContact CG2-CE 4.08Å
239	P	93.4	Very high	95.2	Very high	16 Å²	16	38.1 Å²	38.1	10%	0.104	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.8	173.3	-20.5	33.2	0	0	0	110.9	D247 K326 R355	P239-D247 WeakPolarHBondContact CB-OD1 3.4Å; P239-K326 HydrophobicContact CB-CG 4.34Å; P239-K326 WeakPolarHBondContact O-CA 3.16Å; P239-R355 PolarHBondContact O-NH2 2.79Å
240	D	90.2	Very high	95.4	Very high	29 Å²	29	32.9 Å²	32.9	16%	0.155	17%	0.169	C	C	.	.	S	Bend	trans	-85.5	-23.4	172.4	-84.3	-7.8	0	0	0	112.5	K248 Y250 R273 R355	D240-K248 VanDerWaalsContact OD2-CD 3.23Å; D240-K248 WeakPolarHBondContact OD2-CD 3.45Å; D240-K248 WeakPolarHBondContact OD2-CE 3.35Å; D240-K248 IonicContact OD2-NZ 2.65Å; D240-K248 PolarHBondContact OD2-NZ 3.35Å; D240-Y250 PolarHBondContact OD1-OH 2.89Å; D240-R273 IonicContact OD2-NH1 2.76Å; D240-R355 IonicContact OD1-CZ 2.75Å; D240-R355 IonicContact OD1-NE 2.72Å; D240-R355 PolarHBondContact OD1-NE 3Å; D240-R355 IonicContact OD1-NH2 3.47Å; D240-R355 PolarHBondContact OD1-NH2 2.86Å
241	N	91.8	Very high	95.5	Very high	38 Å²	38	32.7 Å²	32.7	20%	0.203	17%	0.168	C	C	.	.	S	Bend	trans	-156.9	-166.4	-179.3	54.7	70.1	0	0	0	110.3	D243 D246	N241-D243 WeakPolarHBondContact OD1-CA 3.44Å; N241-D243 VanDerWaalsContact OD1-CB 3.27Å; N241-D243 WeakPolarHBondContact OD1-CB 3.18Å; N241-D243 PolarHBondContact OD1-N 2.96Å; N241-D243 PolarHBondContact OD1-O 3.48Å; N241-D246 PolarHBondContact ND2-OD2 2.89Å
242	D	92.3	Very high	95.6	Very high	134 Å²	134	29.6 Å²	29.6	72%	0.717	15%	0.154	S	C	*	.	S	Bend	trans	-80.6	-16.1	-179.7	-69.2	-60.5	0	0	0	114.1	R244 K326	D242-R244 PolarHBondContact O-N 2.92Å; D242-K326 VanDerWaalsContact OD1-CE 3.23Å; D242-K326 WeakPolarHBondContact OD1-CE 3.26Å; D242-K326 IonicContact OD1-NZ 3.44Å; D242-K326 PolarHBondContact OD1-NZ 2.71Å; D242-K326 IonicContact OD2-NZ 2.64Å; D242-K326 PolarHBondContact OD2-NZ 2.8Å
243	D	93.3	Very high	95.6	Very high	28 Å²	28	29.3 Å²	29.3	15%	0.15	15%	0.153	C	C	.	.			trans	-78.6	111.9	175.8	-169.7	1.9	0	0	0	109.9	N241 D245 D246 S389 K390 V391	N241-D243 WeakPolarHBondContact OD1-CA 3.44Å; N241-D243 VanDerWaalsContact OD1-CB 3.27Å; N241-D243 WeakPolarHBondContact OD1-CB 3.18Å; N241-D243 PolarHBondContact OD1-N 2.96Å; N241-D243 PolarHBondContact OD1-O 3.48Å; D243-D245 PolarHBondContact O-N 2.58Å; D243-D245 PolarHBondContact OD1-N 2.87Å; D243-D245 VanDerWaalsContact OD1-N 3.17Å; D243-D246 HydrophobicContact CB-CB 4.44Å; D243-D246 WeakPolarHBondContact O-CA 3.33Å; D243-D246 WeakPolarHBondContact O-CB 3.49Å; D243-D246 PolarHBondContact O-N 3Å; D243-S389 WeakPolarHBondContact OD2-CB 3.47Å; D243-K390 WeakPolarHBondContact OD2-CB 3.41Å; D243-K390 PolarHBondContact OD2-N 2.81Å; D243-V391 HydrophobicContact CB-CG2 3.78Å
244	R	92	Very high	95.6	Very high	162 Å²	162	28.3 Å²	28.3	61%	0.611	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-65.4	-22.6	-179.1	-69.4	177.1	169.1	-159.3	3.1	113	D242 D246 D247	D242-R244 PolarHBondContact O-N 2.92Å; R244-D246 PolarHBondContact O-N 3.17Å; R244-D247 VanDerWaalsContact O-CB 3.3Å; R244-D247 WeakPolarHBondContact O-CB 3.21Å; R244-D247 VanDerWaalsContact O-CG 3.27Å; R244-D247 PolarHBondContact O-N 3.12Å
245	D	93.4	Very high	95.5	Very high	75 Å²	75	28.2 Å²	28.2	40%	0.401	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-73.4	-8	173.6	-67.1	-30.7	0	0	0	111.7	D243 N277 C387	D243-D245 PolarHBondContact O-N 2.58Å; D243-D245 PolarHBondContact OD1-N 2.87Å; D243-D245 VanDerWaalsContact OD1-N 3.17Å; D245-N277 PolarHBondContact O-ND2 3.01Å; D245-N277 PolarHBondContact O-OD1 3.27Å; D245-C387 VanDerWaalsContact O-CB 3.28Å; D245-C387 WeakPolarHBondContact O-CB 3.42Å
246	D	94.4	Very high	95.2	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.043	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-107.2	9.6	172	-155.7	64.2	0	0	0	113.2	N241 D243 R244 K248 C387 S389 N392	N241-D246 PolarHBondContact ND2-OD2 2.89Å; D243-D246 HydrophobicContact CB-CB 4.44Å; D243-D246 WeakPolarHBondContact O-CA 3.33Å; D243-D246 WeakPolarHBondContact O-CB 3.49Å; D243-D246 PolarHBondContact O-N 3Å; R244-D246 PolarHBondContact O-N 3.17Å; D246-K248 VanDerWaalsContact CG-NZ 3.28Å; D246-K248 WeakPolarHBondContact O-CG 3.4Å; D246-K248 PolarHBondContact O-N 3.22Å; D246-K248 PolarHBondContact O-NZ 3.32Å; D246-K248 VanDerWaalsContact O-NZ 3.1Å; D246-K248 IonicContact OD1-NZ 2.79Å; D246-K248 PolarHBondContact OD1-NZ 3.31Å; D246-K248 IonicContact OD2-NZ 2.8Å; D246-K248 PolarHBondContact OD2-NZ 3.19Å; D246-C387 WeakPolarHBondContact OD1-CB 3.33Å; D246-C387 PolarHBondContact OD1-SG 2.84Å; D246-C387 VanDerWaalsContact OD1-SG 3.38Å; D246-S389 PolarHBondContact OD1-OG 3.12Å; D246-N392 PolarHBondContact OD1-ND2 3.1Å
247	D	95.1	Very high	94.7	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.053	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	134.3	171.1	-77.8	-15.1	0	0	0	109.3	R190 P239 R244 A276	R190-D247 IonicContact NH2-OD2 3.29Å; R190-D247 PolarHBondContact NH2-OD2 2.98Å; P239-D247 WeakPolarHBondContact CB-OD1 3.4Å; R244-D247 VanDerWaalsContact O-CB 3.3Å; R244-D247 WeakPolarHBondContact O-CB 3.21Å; R244-D247 VanDerWaalsContact O-CG 3.27Å; R244-D247 PolarHBondContact O-N 3.12Å; D247-A276 HydrophobicContact CB-CB 4Å; D247-A276 VanDerWaalsContact O-CB 3.3Å; D247-A276 WeakPolarHBondContact O-CB 3.17Å; D247-A276 PolarHBondContact O-N 2.89Å
248	K	97	Very high	93.5	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.4	179.8	-58.9	-169.8	-176.4	60	0	111.7	V237 I238 D240 D246 Y250 V274	V237-K248 WeakPolarHBondContact CA-O 3.48Å; I238-K248 PolarHBondContact N-O 2.79Å; I238-K248 PolarHBondContact O-N 3.46Å; D240-K248 VanDerWaalsContact OD2-CD 3.23Å; D240-K248 WeakPolarHBondContact OD2-CD 3.45Å; D240-K248 WeakPolarHBondContact OD2-CE 3.35Å; D240-K248 IonicContact OD2-NZ 2.65Å; D240-K248 PolarHBondContact OD2-NZ 3.35Å; D246-K248 VanDerWaalsContact CG-NZ 3.28Å; D246-K248 WeakPolarHBondContact O-CG 3.4Å; D246-K248 PolarHBondContact O-N 3.22Å; D246-K248 PolarHBondContact O-NZ 3.32Å; D246-K248 VanDerWaalsContact O-NZ 3.1Å; D246-K248 IonicContact OD1-NZ 2.79Å; D246-K248 PolarHBondContact OD1-NZ 3.31Å; D246-K248 IonicContact OD2-NZ 2.8Å; D246-K248 PolarHBondContact OD2-NZ 3.19Å; K248-Y250 HydrophobicContact CB-CD2 4.34Å; K248-Y250 HydrophobicContact CB-CE2 3.74Å; K248-V274 CarbonylContact C-O 3.55Å; K248-V274 VanDerWaalsContact CA-O 3.29Å; K248-V274 WeakPolarHBondContact CA-O 3.37Å; K248-V274 WeakPolarHBondContact CB-O 3.36Å
249	V	98.1	Very high	92	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.4	171	-172	0	0	0	0	108.2	T187 Y194 V237 F251 R273 V274 A276	T187-V249 HydrophobicContact CG2-CG1 4.1Å; Y194-V249 HydrophobicContact CD1-CB 4.03Å; Y194-V249 HydrophobicContact CD1-CG1 3.99Å; Y194-V249 HydrophobicContact CD1-CG2 3.65Å; Y194-V249 HydrophobicContact CD2-CG2 4.15Å; Y194-V249 HydrophobicContact CE1-CB 4.29Å; Y194-V249 HydrophobicContact CE1-CG2 3.52Å; Y194-V249 HydrophobicContact CE2-CG2 4.08Å; Y194-V249 HydrophobicContact CG-CB 4.39Å; Y194-V249 HydrophobicContact CG-CG1 3.94Å; Y194-V249 HydrophobicContact CG-CG2 3.97Å; V237-V249 HydrophobicContact CG2-CG2 4.01Å; V249-F251 HydrophobicContact CB-CE2 4.35Å; V249-F251 HydrophobicContact CB-CZ 4.4Å; V249-F251 HydrophobicContact CG1-CE1 4.13Å; V249-F251 HydrophobicContact CG1-CE2 4.07Å; V249-F251 HydrophobicContact CG1-CZ 3.77Å; V249-R273 CarbonylContact O-C 3.6Å; V249-R273 VanDerWaalsContact O-CA 3.26Å; V249-R273 WeakPolarHBondContact O-CA 3.48Å; V249-V274 HydrophobicContact CB-CG2 3.95Å; V249-V274 PolarHBondContact N-O 2.71Å; V249-V274 PolarHBondContact O-N 3Å; V249-A276 HydrophobicContact CG2-CB 4.28Å
250	Y	98.6	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.8	178.9	-67.9	-94.1	0	0	0	109.8	S235 A236 I238 D240 K248 I271 G272 R273 M351 I354 F358	S235-Y250 WeakPolarHBondContact CA-O 3.24Å; S235-Y250 WeakPolarHBondContact CB-O 3.19Å; A236-Y250 PolarHBondContact N-O 3.34Å; A236-Y250 PolarHBondContact O-N 2.86Å; I238-Y250 HydrophobicContact CB-CD2 3.8Å; I238-Y250 HydrophobicContact CB-CE2 3.79Å; I238-Y250 HydrophobicContact CD1-CD2 3.94Å; I238-Y250 HydrophobicContact CD1-CE2 4.47Å; I238-Y250 HydrophobicContact CD1-CG 4.43Å; I238-Y250 HydrophobicContact CG1-CD2 4.08Å; I238-Y250 HydrophobicContact CG2-CE2 4.5Å; D240-Y250 PolarHBondContact OD1-OH 2.89Å; K248-Y250 HydrophobicContact CB-CD2 4.34Å; K248-Y250 HydrophobicContact CB-CE2 3.74Å; Y250-I271 HydrophobicContact CD1-CD1 3.81Å; Y250-I271 HydrophobicContact CD1-CG1 4.13Å; Y250-G272 CarbonylContact C-O 3.58Å; Y250-G272 VanDerWaalsContact CA-O 3.29Å; Y250-G272 WeakPolarHBondContact CA-O 3.45Å; Y250-R273 HydrophobicContact CD1-CB 3.79Å; Y250-R273 HydrophobicContact CE1-CB 3.81Å; Y250-R273 HydrophobicContact CG-CB 4.41Å; Y250-M351 HydrophobicContact CD2-CE 4.46Å; Y250-M351 HydrophobicContact CE1-CE 3.95Å; Y250-M351 HydrophobicContact CE2-CE 3.83Å; Y250-I354 HydrophobicContact CD1-CG2 4.43Å; Y250-I354 HydrophobicContact CE1-CG2 3.87Å; Y250-F358 HydrophobicContact CD1-CE2 4.3Å; Y250-F358 HydrophobicContact CE1-CD2 4.33Å; Y250-F358 AromaticContact CE1-CE2 3.85Å; Y250-F358 HydrophobicContact CE1-CE2 3.85Å
251	F	98.7	Very high	88.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.8	-179.2	-61	-80.2	0	0	0	109.7	M185 Y194 L208 V249 F253 I271 G272 V274	M185-F251 HydrophobicContact CE-CB 3.67Å; M185-F251 HydrophobicContact CE-CD1 3.59Å; M185-F251 HydrophobicContact CE-CG 4.12Å; M185-F251 HydrophobicContact SD-CD1 3.79Å; M185-F251 HydrophobicContact SD-CE1 4.47Å; Y194-F251 HydrophobicContact CD1-CZ 4.33Å; L208-F251 HydrophobicContact CD1-CB 4.09Å; L208-F251 HydrophobicContact CD1-CD2 3.92Å; L208-F251 HydrophobicContact CD1-CE2 4.45Å; L208-F251 HydrophobicContact CD1-CG 3.96Å; L208-F251 HydrophobicContact CD2-CB 4.13Å; L208-F251 HydrophobicContact CD2-CD1 3.7Å; L208-F251 HydrophobicContact CD2-CD2 4.48Å; L208-F251 HydrophobicContact CD2-CE1 4.18Å; L208-F251 HydrophobicContact CD2-CG 3.87Å; L208-F251 HydrophobicContact CG-CG 4.46Å; V249-F251 HydrophobicContact CB-CE2 4.35Å; V249-F251 HydrophobicContact CB-CZ 4.4Å; V249-F251 HydrophobicContact CG1-CE1 4.13Å; V249-F251 HydrophobicContact CG1-CE2 4.07Å; V249-F251 HydrophobicContact CG1-CZ 3.77Å; F251-F253 HydrophobicContact CB-CD1 4.3Å; F251-F253 HydrophobicContact CB-CE1 4.46Å; F251-I271 CarbonylContact O-C 3.08Å; F251-I271 WeakPolarHBondContact O-CA 3.38Å; F251-G272 PolarHBondContact N-O 2.94Å; F251-G272 PolarHBondContact O-N 2.96Å; F251-V274 HydrophobicContact CE2-CG1 4.17Å; F251-V274 HydrophobicContact CE2-CG2 3.74Å; F251-V274 HydrophobicContact CZ-CG2 4.4Å
252	F	98.8	Very high	87.1	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.2	178.7	-56.8	-89	0	0	0	109.2	V233 G234 I271 L314 V317 V319 I330	V233-F252 PolarHBondContact N-O 2.81Å; G234-F252 PolarHBondContact N-O 2.98Å; G234-F252 WeakPolarHBondContact O-CD2 3.24Å; G234-F252 PolarHBondContact O-N 3.16Å; F252-I271 HydrophobicContact CD1-CB 4.33Å; F252-I271 HydrophobicContact CD1-CD1 4.21Å; F252-I271 HydrophobicContact CD1-CG1 4.09Å; F252-I271 HydrophobicContact CE1-CB 4.37Å; F252-I271 HydrophobicContact CE1-CD1 3.45Å; F252-I271 VanDerWaalsContact CE1-CD1 3.45Å; F252-I271 HydrophobicContact CE1-CG1 3.82Å; F252-I271 HydrophobicContact CZ-CD1 3.86Å; F252-I271 HydrophobicContact CZ-CG1 4.36Å; F252-L314 HydrophobicContact CB-CD2 3.95Å; F252-V317 HydrophobicContact CB-CB 4.49Å; F252-V317 HydrophobicContact CB-CG1 4.04Å; F252-V317 HydrophobicContact CD1-CG2 4.02Å; F252-V317 HydrophobicContact CD2-CG1 3.97Å; F252-V317 HydrophobicContact CD2-CG2 4.09Å; F252-V317 HydrophobicContact CE1-CG2 4.15Å; F252-V317 HydrophobicContact CE2-CG2 4.25Å; F252-V317 HydrophobicContact CG-CB 4.38Å; F252-V317 HydrophobicContact CG-CG1 4.06Å; F252-V317 HydrophobicContact CG-CG2 3.98Å; F252-V317 HydrophobicContact CZ-CG2 4.28Å; F252-V319 HydrophobicContact CE2-CG2 4.4Å; F252-I330 HydrophobicContact CE1-CG2 3.74Å; F252-I330 HydrophobicContact CZ-CD1 4.37Å; F252-I330 HydrophobicContact CZ-CG2 3.88Å
253	F	98.6	Very high	85.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	161.3	-175.8	58.8	-84.6	0	0	0	111.2	L208 L227 A230 K231 F232 F251 E255 R270 K294	L208-F253 HydrophobicContact CD1-CE1 4.37Å; L227-F253 HydrophobicContact CD2-CD2 4.31Å; L227-F253 HydrophobicContact CD2-CE1 4.46Å; L227-F253 HydrophobicContact CD2-CE2 3.67Å; L227-F253 HydrophobicContact CD2-CZ 3.77Å; A230-F253 HydrophobicContact CB-CD2 4Å; K231-F253 CarbonylContact O-C 3.54Å; K231-F253 WeakPolarHBondContact O-CA 3.39Å; K231-F253 WeakPolarHBondContact O-CB 3.31Å; F232-F253 HydrophobicContact CD1-CB 4.25Å; F251-F253 HydrophobicContact CB-CD1 4.3Å; F251-F253 HydrophobicContact CB-CE1 4.46Å; F253-E255 HydrophobicContact CD2-CB 4.37Å; F253-E255 HydrophobicContact CE2-CB 4.38Å; F253-E255 HydrophobicContact CE2-CG 4.4Å; F253-R270 HydrophobicContact CD1-CB 4.43Å; F253-R270 HydrophobicContact CD2-CB 4.03Å; F253-R270 HydrophobicContact CD2-CG 4.46Å; F253-R270 HydrophobicContact CE1-CB 4.04Å; F253-R270 HydrophobicContact CE2-CB 3.6Å; F253-R270 HydrophobicContact CE2-CG 3.89Å; F253-R270 HydrophobicContact CG-CB 4.43Å; F253-R270 HydrophobicContact CZ-CB 3.61Å; F253-R270 HydrophobicContact CZ-CG 4.23Å; F253-R270 PolarHBondContact N-O 2.98Å; F253-R270 VanDerWaalsContact N-O 3.16Å; F253-R270 PolarHBondContact O-N 3.26Å; F253-K294 HydrophobicContact CZ-CB 4.48Å; F253-K294 HydrophobicContact CZ-CD 4.13Å
254	T	97.9	Very high	84.3	Confident	6 Å²	6	42.3 Å²	42.3	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.8	163.4	66	0	0	0	0	110.4	A230 K231 I267 L268 L314	A230-T254 CarbonylContact C-O 3.47Å; A230-T254 WeakPolarHBondContact CA-O 3.16Å; K231-T254 WeakPolarHBondContact CB-OG1 3.41Å; K231-T254 PolarHBondContact N-O 2.86Å; K231-T254 PolarHBondContact O-N 3.48Å; T254-I267 HydrophobicContact CG2-CG2 4.38Å; T254-L268 CarbonylContact C-O 3.46Å; T254-L268 VanDerWaalsContact CA-O 3.28Å; T254-L268 WeakPolarHBondContact CA-O 3.43Å; T254-L314 HydrophobicContact CG2-CB 3.61Å
255	E	95.5	Very high	83.5	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.9	177.2	66.2	176.6	179.6	0	0	110.4	N228 F253 I267 L268 R270 K294	N228-E255 WeakPolarHBondContact O-CB 3.45Å; F253-E255 HydrophobicContact CD2-CB 4.37Å; F253-E255 HydrophobicContact CE2-CB 4.38Å; F253-E255 HydrophobicContact CE2-CG 4.4Å; E255-I267 WeakPolarHBondContact O-CA 3.29Å; E255-L268 PolarHBondContact N-O 2.85Å; E255-L268 PolarHBondContact O-N 3.06Å; E255-R270 HydrophobicContact CG-CG 3.83Å; E255-R270 WeakPolarHBondContact OE1-CG 3.47Å; E255-R270 IonicContact OE1-CZ 3.63Å; E255-R270 IonicContact OE1-NE 3.6Å; E255-R270 PolarHBondContact OE1-NE 3.12Å; E255-R270 IonicContact OE1-NH2 3.64Å; E255-K294 WeakPolarHBondContact OE1-CE 3.35Å; E255-K294 IonicContact OE1-NZ 2.83Å; E255-K294 PolarHBondContact OE1-NZ 2.9Å; E255-K294 IonicContact OE2-NZ 3.28Å; E255-K294 PolarHBondContact OE2-NZ 3.32Å
256	R	91.9	Very high	83.1	Confident	97 Å²	97	39 Å²	39	37%	0.366	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.4	172.9	-67.6	-168.7	-168.4	-86.1	-4.8	111.2	N228 E229 N264 G266	N228-R256 PolarHBondContact ND2-O 2.83Å; N228-R256 PolarHBondContact O-N 2.88Å; E229-R256 HydrophobicContact CB-CG 4.29Å; E229-R256 WeakPolarHBondContact OE2-CD 3.45Å; E229-R256 IonicContact OE2-CZ 3.16Å; E229-R256 IonicContact OE2-NE 2.8Å; E229-R256 PolarHBondContact OE2-NE 3.21Å; E229-R256 IonicContact OE2-NH2 2.71Å; R256-N264 PolarHBondContact NH1-ND2 3.01Å; R256-N264 VanDerWaalsContact NH1-ND2 3.14Å; R256-G266 WeakPolarHBondContact CA-O 3.42Å
257	E	85.3	Confident	83	Confident	48 Å²	48	40.6 Å²	40.6	22%	0.224	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.2	165.7	-172.8	171.2	-133.3	0	0	109.6	N264 R265 G266 L268	E257-N264 PolarHBondContact O-OD1 2.95Å; E257-N264 VanDerWaalsContact O-OD1 3.13Å; E257-R265 HydrophobicContact CB-CB 4.49Å; E257-R265 HydrophobicContact CG-CB 4.38Å; E257-R265 PolarHBondContact O-N 2.89Å; E257-G266 PolarHBondContact N-O 2.9Å; E257-L268 HydrophobicContact CB-CD1 3.9Å; E257-L268 HydrophobicContact CB-CG 4.17Å; E257-L268 HydrophobicContact CG-CD1 4.24Å
258	S	70.9	Confident	83	Confident	24 Å²	24	40.5 Å²	40.5	17%	0.168	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.5	175	49.4	0	0	0	0	111.5
259	D	64.3	Low	83	Confident	32 Å²	32	40.2 Å²	40.2	17%	0.171	22%	0.221	C	C	.	.			trans	-80.7	173	169.7	-153.3	-6.6	0	0	0	111.9	E261 G262 V263 R265	D259-E261 PolarHBondContact O-N 3.47Å; D259-G262 PolarHBondContact O-N 2.94Å; D259-V263 PolarHBondContact N-O 2.92Å; D259-R265 HydrophobicContact CB-CG 4.13Å; D259-R265 VanDerWaalsContact CG-CZ 3.41Å; D259-R265 IonicContact OD1-CZ 2.7Å; D259-R265 IonicContact OD1-NE 3.42Å; D259-R265 IonicContact OD1-NH2 2.67Å; D259-R265 PolarHBondContact OD1-NH2 2.96Å; D259-R265 IonicContact OD2-CZ 2.8Å; D259-R265 IonicContact OD2-NE 3.14Å; D259-R265 PolarHBondContact OD2-NE 3.3Å; D259-R265 IonicContact OD2-NH2 3.19Å; D259-R265 PolarHBondContact OD2-NH2 2.87Å
260	G	55.5	Low	83	Confident	28 Å²	28	41.1 Å²	41.1	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	175.6	0	0	0	0	0	115.5	G262	G260-G262 VanDerWaalsContact C-N 3.3Å
261	E	59	Low	83	Confident	158 Å²	158	41.1 Å²	41.1	74%	0.738	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	2.8	174.4	-61.7	-174.6	164.9	0	0	113.4	D259 V263	D259-E261 PolarHBondContact O-N 3.47Å; E261-V263 VanDerWaalsContact C-N 3.25Å; E261-V263 HydrophobicContact CB-CG2 4.42Å; E261-V263 PolarHBondContact O-N 2.91Å
262	G	58.4	Low	83	Confident	58 Å²	58	41.1 Å²	41.1	60%	0.598	22%	0.224	S	C	*	.	S	Bend	trans	78.5	3.4	-178.8	0	0	0	0	0	114.7	D259 G260	D259-G262 PolarHBondContact O-N 2.94Å; G260-G262 VanDerWaalsContact C-N 3.3Å
263	V	61.5	Low	83	Confident	90 Å²	90	41.5 Å²	41.5	55%	0.545	23%	0.226	S	C	.	.			trans	-72	128.7	172.9	-177.7	0	0	0	0	109.6	D259 E261 R265	D259-V263 PolarHBondContact N-O 2.92Å; E261-V263 VanDerWaalsContact C-N 3.25Å; E261-V263 HydrophobicContact CB-CG2 4.42Å; E261-V263 PolarHBondContact O-N 2.91Å; V263-R265 PolarHBondContact O-N 2.78Å
264	N	66.1	Low	83	Confident	76 Å²	76	41.6 Å²	41.6	41%	0.406	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	115.7	177.9	-176.7	26.4	0	0	0	110	R256 E257 G266	R256-N264 PolarHBondContact NH1-ND2 3.01Å; R256-N264 VanDerWaalsContact NH1-ND2 3.14Å; E257-N264 PolarHBondContact O-OD1 2.95Å; E257-N264 VanDerWaalsContact O-OD1 3.13Å; N264-G266 PolarHBondContact OD1-N 3.48Å; N264-G266 PolarHBondContact OD1-O 3.02Å
265	R	73.5	Confident	82.9	Confident	145 Å²	145	41.4 Å²	41.4	55%	0.547	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-22.1	176.9	-74.6	-172.4	165.8	-174.7	-0.5	112.7	E257 D259 V263	E257-R265 HydrophobicContact CB-CB 4.49Å; E257-R265 HydrophobicContact CG-CB 4.38Å; E257-R265 PolarHBondContact O-N 2.89Å; D259-R265 HydrophobicContact CB-CG 4.13Å; D259-R265 VanDerWaalsContact CG-CZ 3.41Å; D259-R265 IonicContact OD1-CZ 2.7Å; D259-R265 IonicContact OD1-NE 3.42Å; D259-R265 IonicContact OD1-NH2 2.67Å; D259-R265 PolarHBondContact OD1-NH2 2.96Å; D259-R265 IonicContact OD2-CZ 2.8Å; D259-R265 IonicContact OD2-NE 3.14Å; D259-R265 PolarHBondContact OD2-NE 3.3Å; D259-R265 IonicContact OD2-NH2 3.19Å; D259-R265 PolarHBondContact OD2-NH2 2.87Å; V263-R265 PolarHBondContact O-N 2.78Å
266	G	85.9	Confident	82.9	Confident	24 Å²	24	41.8 Å²	41.8	25%	0.247	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-176.6	177.5	0	0	0	0	0	113.5	R256 E257 N264	R256-G266 WeakPolarHBondContact CA-O 3.42Å; E257-G266 PolarHBondContact N-O 2.9Å; N264-G266 PolarHBondContact OD1-N 3.48Å; N264-G266 PolarHBondContact OD1-O 3.02Å
267	I	92.3	Very high	83	Confident	40 Å²	40	39.1 Å²	39.1	21%	0.205	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.4	168.6	-63	169.6	0	0	0	106.6	T254 E255 D312 T337	T254-I267 HydrophobicContact CG2-CG2 4.38Å; E255-I267 WeakPolarHBondContact O-CA 3.29Å; I267-D312 WeakPolarHBondContact O-CB 3.4Å; I267-T337 HydrophobicContact CB-CG2 3.83Å; I267-T337 HydrophobicContact CD1-CG2 4.38Å
268	L	94.7	Very high	83.5	Confident	9 Å²	9	37 Å²	37	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141	175.5	-62.8	179.9	0	0	0	110.2	T254 E255 E257	T254-L268 CarbonylContact C-O 3.46Å; T254-L268 VanDerWaalsContact CA-O 3.28Å; T254-L268 WeakPolarHBondContact CA-O 3.43Å; E255-L268 PolarHBondContact N-O 2.85Å; E255-L268 PolarHBondContact O-N 3.06Å; E257-L268 HydrophobicContact CB-CD1 3.9Å; E257-L268 HydrophobicContact CB-CG 4.17Å; E257-L268 HydrophobicContact CG-CD1 4.24Å
269	T	98	Very high	84.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.9	166.9	-61	0	0	0	0	111	L297 D312 L314 F334	T269-L297 HydrophobicContact CG2-CB 4.02Å; T269-L297 HydrophobicContact CG2-CD2 4.19Å; T269-L297 PolarHBondContact O-N 3.28Å; T269-D312 PolarHBondContact N-O 3.13Å; T269-D312 PolarHBondContact OG1-O 3Å; T269-L314 HydrophobicContact CG2-CB 3.79Å; T269-L314 HydrophobicContact CG2-CD1 4.42Å; T269-L314 HydrophobicContact CG2-CD2 3.9Å; T269-L314 HydrophobicContact CG2-CG 4.26Å; T269-F334 HydrophobicContact CG2-CE1 3.78Å
270	R	98.1	Very high	86.1	Confident	18 Å²	18	38.6 Å²	38.6	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.1	179.5	-61.7	-63.1	-168.1	-175.2	-5.4	111.7	F253 E255 K294 T295	F253-R270 HydrophobicContact CD1-CB 4.43Å; F253-R270 HydrophobicContact CD2-CB 4.03Å; F253-R270 HydrophobicContact CD2-CG 4.46Å; F253-R270 HydrophobicContact CE1-CB 4.04Å; F253-R270 HydrophobicContact CE2-CB 3.6Å; F253-R270 HydrophobicContact CE2-CG 3.89Å; F253-R270 HydrophobicContact CG-CB 4.43Å; F253-R270 HydrophobicContact CZ-CB 3.61Å; F253-R270 HydrophobicContact CZ-CG 4.23Å; F253-R270 PolarHBondContact N-O 2.98Å; F253-R270 VanDerWaalsContact N-O 3.16Å; F253-R270 PolarHBondContact O-N 3.26Å; E255-R270 HydrophobicContact CG-CG 3.83Å; E255-R270 WeakPolarHBondContact OE1-CG 3.47Å; E255-R270 IonicContact OE1-CZ 3.63Å; E255-R270 IonicContact OE1-NE 3.6Å; E255-R270 PolarHBondContact OE1-NE 3.12Å; E255-R270 IonicContact OE1-NH2 3.64Å; R270-K294 HydrophobicContact CG-CD 4.39Å; R270-T295 WeakPolarHBondContact CA-O 3.34Å; R270-T295 WeakPolarHBondContact CD-O 3.39Å
271	I	98.7	Very high	87.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.1	157.9	-174.5	175.2	0	0	0	108	Y250 F251 F252 K294 T295 I354 F358 V420	Y250-I271 HydrophobicContact CD1-CD1 3.81Å; Y250-I271 HydrophobicContact CD1-CG1 4.13Å; F251-I271 CarbonylContact O-C 3.08Å; F251-I271 WeakPolarHBondContact O-CA 3.38Å; F252-I271 HydrophobicContact CD1-CB 4.33Å; F252-I271 HydrophobicContact CD1-CD1 4.21Å; F252-I271 HydrophobicContact CD1-CG1 4.09Å; F252-I271 HydrophobicContact CE1-CB 4.37Å; F252-I271 HydrophobicContact CE1-CD1 3.45Å; F252-I271 VanDerWaalsContact CE1-CD1 3.45Å; F252-I271 HydrophobicContact CE1-CG1 3.82Å; F252-I271 HydrophobicContact CZ-CD1 3.86Å; F252-I271 HydrophobicContact CZ-CG1 4.36Å; I271-K294 CarbonylContact O-C 3.2Å; I271-K294 VanDerWaalsContact O-CA 3.3Å; I271-K294 WeakPolarHBondContact O-CA 3.24Å; I271-T295 HydrophobicContact CG2-CG2 3.57Å; I271-T295 PolarHBondContact N-O 2.73Å; I271-T295 PolarHBondContact O-N 3.21Å; I271-I354 HydrophobicContact CD1-CD1 3.89Å; I271-I354 HydrophobicContact CD1-CG1 4.3Å; I271-I354 HydrophobicContact CD1-CG2 3.81Å; I271-F358 HydrophobicContact CG2-CE2 4.4Å; I271-F358 HydrophobicContact CG2-CZ 4.32Å; I271-F358 WeakPolarHBondContact O-CZ 3.17Å; I271-V420 HydrophobicContact CG2-CG2 4.41Å
272	G	98.4	Very high	89.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	154.8	172.6	0	0	0	0	0	111.2	Y250 F251 L293	Y250-G272 CarbonylContact C-O 3.58Å; Y250-G272 VanDerWaalsContact CA-O 3.29Å; Y250-G272 WeakPolarHBondContact CA-O 3.45Å; F251-G272 PolarHBondContact N-O 2.94Å; F251-G272 PolarHBondContact O-N 2.96Å; G272-L293 CarbonylContact C-O 3.58Å; G272-L293 WeakPolarHBondContact CA-O 3.38Å
273	R	98.1	Very high	91.2	Very high	11 Å²	11	42.6 Å²	42.6	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.1	171.5	77.4	178.8	-170.5	176.4	-1.3	112.2	D240 V249 Y250 F292 L293 F358	D240-R273 IonicContact OD2-NH1 2.76Å; V249-R273 CarbonylContact O-C 3.6Å; V249-R273 VanDerWaalsContact O-CA 3.26Å; V249-R273 WeakPolarHBondContact O-CA 3.48Å; Y250-R273 HydrophobicContact CD1-CB 3.79Å; Y250-R273 HydrophobicContact CE1-CB 3.81Å; Y250-R273 HydrophobicContact CG-CB 4.41Å; R273-F292 WeakPolarHBondContact O-CA 3.18Å; R273-L293 PolarHBondContact N-O 2.87Å; R273-L293 PolarHBondContact O-N 3.39Å; R273-L293 VanDerWaalsContact O-N 3.13Å; R273-F358 HydrophobicContact CB-CE1 4.43Å; R273-F358 HydrophobicContact CB-CE2 4.29Å; R273-F358 HydrophobicContact CB-CZ 4.02Å; R273-F358 HydrophobicContact CG-CD1 4.03Å; R273-F358 HydrophobicContact CG-CD2 4.38Å; R273-F358 HydrophobicContact CG-CE1 3.77Å; R273-F358 HydrophobicContact CG-CE2 4.14Å; R273-F358 HydrophobicContact CG-CG 4.33Å; R273-F358 HydrophobicContact CG-CZ 3.82Å
274	V	98.3	Very high	92.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.9	168.2	-58.5	0	0	0	0	109.7	K248 V249 F251 W289 F292	K248-V274 CarbonylContact C-O 3.55Å; K248-V274 VanDerWaalsContact CA-O 3.29Å; K248-V274 WeakPolarHBondContact CA-O 3.37Å; K248-V274 WeakPolarHBondContact CB-O 3.36Å; V249-V274 HydrophobicContact CB-CG2 3.95Å; V249-V274 PolarHBondContact N-O 2.71Å; V249-V274 PolarHBondContact O-N 3Å; F251-V274 HydrophobicContact CE2-CG1 4.17Å; F251-V274 HydrophobicContact CE2-CG2 3.74Å; F251-V274 HydrophobicContact CZ-CG2 4.4Å; V274-W289 HydrophobicContact CB-CD2 4.29Å; V274-W289 HydrophobicContact CB-CE3 3.97Å; V274-W289 HydrophobicContact CB-CH2 4.49Å; V274-W289 HydrophobicContact CB-CZ3 4.08Å; V274-W289 HydrophobicContact CG1-CB 4.5Å; V274-W289 HydrophobicContact CG1-CD2 3.78Å; V274-W289 HydrophobicContact CG1-CE3 3.97Å; V274-W289 HydrophobicContact CG1-CG 4.02Å; V274-W289 HydrophobicContact CG1-CZ3 4.42Å; V274-W289 HydrophobicContact CG2-CE3 4.31Å; V274-W289 HydrophobicContact CG2-CH2 3.95Å; V274-W289 HydrophobicContact CG2-CZ2 4.38Å; V274-W289 HydrophobicContact CG2-CZ3 3.94Å; V274-F292 HydrophobicContact CG1-CB 4.04Å; V274-F292 HydrophobicContact CG1-CD2 3.86Å; V274-F292 HydrophobicContact CG1-CG 4.47Å
275	C	97.1	Very high	94	Very high	2 Å²	2	38 Å²	38	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.9	167.7	-65.6	0	0	0	0	110.2	N277 D278 S291 C387	C275-N277 PolarHBondContact O-N 3.15Å; C275-D278 HydrophobicContact CB-CB 4.15Å; C275-D278 VanDerWaalsContact O-CB 3.26Å; C275-D278 WeakPolarHBondContact O-CB 3.34Å; C275-D278 PolarHBondContact O-N 3.5Å; C275-S291 PolarHBondContact N-OG 3.48Å; C275-C387 HydrophobicContact CB-CB 3.69Å; C275-C387 WeakPolarHBondContact CB-SG 3.33Å; C275-C387 WeakPolarHBondContact SG-CA 3.44Å; C275-C387 WeakPolarHBondContact SG-CB 3.33Å; C275-C387 PolarHBondContact SG-N 3.44Å; C275-C387 CovalentContact SG-SG 2.03Å; C275-C387 PolarHBondContact SG-SG 3.05Å
276	A	95.3	Very high	95	Very high	17 Å²	17	34.8 Å²	34.8	14%	0.14	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.6	179.1	0	0	0	0	0	111.6	Y194 R210 D247 V249 D278	Y194-A276 WeakPolarHBondContact OH-CA 3.36Å; Y194-A276 PolarHBondContact OH-O 3.42Å; R210-A276 PolarHBondContact NH1-O 2.78Å; D247-A276 HydrophobicContact CB-CB 4Å; D247-A276 VanDerWaalsContact O-CB 3.3Å; D247-A276 WeakPolarHBondContact O-CB 3.17Å; D247-A276 PolarHBondContact O-N 2.89Å; V249-A276 HydrophobicContact CG2-CB 4.28Å; A276-D278 VanDerWaalsContact C-N 3.34Å; A276-D278 PolarHBondContact O-N 2.83Å
277	N	94.3	Very high	95.4	Very high	41 Å²	41	37.4 Å²	37.4	22%	0.219	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	4.3	179.4	76.2	-17.2	0	0	0	114.8	D245 C275 Q279 A388	D245-N277 PolarHBondContact O-ND2 3.01Å; D245-N277 PolarHBondContact O-OD1 3.27Å; C275-N277 PolarHBondContact O-N 3.15Å; N277-Q279 PolarHBondContact O-N 2.8Å; N277-A388 PolarHBondContact ND2-O 3Å
278	D	95.6	Very high	95.6	Very high	2 Å²	2	39 Å²	39	1%	0.011	18%	0.183	C	C	.	.			trans	-60.3	128.3	-178.1	-171.7	-15.1	0	0	0	110.6	R210 C275 A276 G280 W289 S290 S291 S399	R210-D278 PolarHBondContact NH1-O 2.77Å; R210-D278 PolarHBondContact NH2-O 3.25Å; C275-D278 HydrophobicContact CB-CB 4.15Å; C275-D278 VanDerWaalsContact O-CB 3.26Å; C275-D278 WeakPolarHBondContact O-CB 3.34Å; C275-D278 PolarHBondContact O-N 3.5Å; A276-D278 VanDerWaalsContact C-N 3.34Å; A276-D278 PolarHBondContact O-N 2.83Å; D278-G280 WeakPolarHBondContact OD1-CA 3.27Å; D278-G280 PolarHBondContact OD1-N 3.4Å; D278-W289 HydrophobicContact CB-CE3 4.01Å; D278-W289 HydrophobicContact CB-CZ3 4.04Å; D278-S290 PolarHBondContact OD1-N 2.88Å; D278-S290 PolarHBondContact OD1-OG 2.91Å; D278-S290 PolarHBondContact OD2-N 2.84Å; D278-S290 PolarHBondContact OD2-OG 2.91Å; D278-S291 VanDerWaalsContact OD2-CB 3.31Å; D278-S291 WeakPolarHBondContact OD2-CB 3.26Å; D278-S291 PolarHBondContact OD2-N 2.77Å; D278-S291 PolarHBondContact OD2-OG 2.83Å; D278-S399 PolarHBondContact OD1-OG 2.95Å
279	Q	94.3	Very high	95.7	Very high	91 Å²	91	38.8 Å²	38.8	43%	0.425	18%	0.182	S	C	.	.			trans	-110.4	8.3	178	-59.7	-169.5	-1.9	0	0	112.9	N277 S398 S399 K400	N277-Q279 PolarHBondContact O-N 2.8Å; Q279-S398 PolarHBondContact OE1-OG 2.85Å; Q279-S399 WeakPolarHBondContact CA-OG 2.97Å; Q279-S399 PolarHBondContact N-OG 2.95Å; Q279-K400 HydrophobicContact CB-CD 4.47Å; Q279-K400 HydrophobicContact CB-CG 4.24Å
280	G	94.7	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	70.5	-171.8	-165.1	0	0	0	0	0	112.2	D278 L285 R288 S399 K400	D278-G280 WeakPolarHBondContact OD1-CA 3.27Å; D278-G280 PolarHBondContact OD1-N 3.4Å; G280-L285 WeakPolarHBondContact CA-O 3.44Å; G280-R288 WeakPolarHBondContact CA-O 3.37Å; G280-S399 PolarHBondContact N-OG 2.92Å; G280-S399 CarbonylContact O-C 3.47Å; G280-S399 VanDerWaalsContact O-C 3.3Å; G280-S399 PolarHBondContact O-OG 3.21Å; G280-K400 PolarHBondContact O-N 3.12Å
281	G	94.3	Very high	95.6	Very high	2 Å²	2	38 Å²	38	2%	0.021	18%	0.179	C	C	.	.			trans	-91.8	163.2	176.1	0	0	0	0	0	113	M284 L285	G281-M284 CarbonylContact C-O 3.3Å; G281-M284 VanDerWaalsContact C-O 3.29Å; G281-M284 WeakPolarHBondContact CA-O 3.44Å; G281-L285 PolarHBondContact N-O 3.12Å; G281-L285 VanDerWaalsContact N-O 3.14Å
282	Q	93.3	Very high	95.6	Very high	121 Å²	121	38.2 Å²	38.2	57%	0.565	18%	0.18	S	C	*	.	S	Bend	trans	-73.3	-37.4	-178.8	-179.1	63.8	23	0	0	113.3	K400	Q282-K400 HydrophobicContact CB-CB 4.21Å; Q282-K400 WeakPolarHBondContact CB-O 3.25Å
283	R	92.3	Very high	95.7	Very high	205 Å²	205	38.2 Å²	38.2	77%	0.774	18%	0.18	S	C	*	.	S	Bend	trans	-122	-45.6	-176	-63.4	178.4	-178.4	166.5	-0.1	112.1
284	M	92.8	Very high	95.7	Very high	53 Å²	53	37.9 Å²	37.9	26%	0.261	18%	0.179	S	C	.	.	S	Bend	trans	-97.8	156.1	169.4	-61.3	-167.1	-55.1	0	0	110	G281 V286 D404 L407 R408	G281-M284 CarbonylContact C-O 3.3Å; G281-M284 VanDerWaalsContact C-O 3.29Å; G281-M284 WeakPolarHBondContact CA-O 3.44Å; M284-V286 PolarHBondContact O-N 2.85Å; M284-V286 VanDerWaalsContact O-N 3.13Å; M284-D404 HydrophobicContact CE-CB 3.5Å; M284-D404 VanDerWaalsContact CE-CB 3.5Å; M284-D404 WeakPolarHBondContact CE-O 3.01Å; M284-L407 HydrophobicContact CB-CD1 4.38Å; M284-L407 HydrophobicContact CE-CB 3.83Å; M284-R408 HydrophobicContact CE-CG 3.7Å; M284-R408 HydrophobicContact SD-CG 3.98Å
285	L	94.3	Very high	95.7	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.089	18%	0.179	C	C	.	.	S	Bend	trans	53.1	33.5	-180	-60.3	178.5	0	0	0	113.3	E220 G280 G281 N287 R288 L407 V410 R411	E220-L285 WeakPolarHBondContact OE2-CD2 3.49Å; G280-L285 WeakPolarHBondContact CA-O 3.44Å; G281-L285 PolarHBondContact N-O 3.12Å; G281-L285 VanDerWaalsContact N-O 3.14Å; L285-N287 PolarHBondContact O-N 2.92Å; L285-R288 HydrophobicContact CB-CB 3.98Å; L285-R288 HydrophobicContact CD2-CB 3.92Å; L285-R288 HydrophobicContact CD2-CG 4.46Å; L285-R288 PolarHBondContact O-N 2.97Å; L285-L407 HydrophobicContact CD1-CB 4.12Å; L285-L407 HydrophobicContact CD1-CD2 4.25Å; L285-V410 HydrophobicContact CD1-CG1 3.93Å; L285-R411 HydrophobicContact CD1-CB 4.47Å; L285-R411 HydrophobicContact CD2-CB 4.46Å; L285-R411 HydrophobicContact CD2-CG 4.39Å
286	V	94.8	Very high	95.7	Very high	76 Å²	76	40.6 Å²	40.6	46%	0.461	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-62.2	125.7	173.6	-178.4	0	0	0	0	108.1	M284 R288	M284-V286 PolarHBondContact O-N 2.85Å; M284-V286 VanDerWaalsContact O-N 3.13Å; V286-R288 PolarHBondContact O-N 2.96Å
287	N	93.6	Very high	95.8	Very high	80 Å²	80	39.9 Å²	39.9	43%	0.428	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	26.2	-175.2	-62.1	-32	0	0	0	113.5	Y216 R218 L285	Y216-N287 VanDerWaalsContact O-CB 3.3Å; Y216-N287 WeakPolarHBondContact O-CB 3.29Å; R218-N287 PolarHBondContact N-O 3.15Å; L285-N287 PolarHBondContact O-N 2.92Å
288	R	96.7	Very high	96	Very high	72 Å²	72	38.9 Å²	38.9	27%	0.272	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-124.3	155.6	172.4	-56.7	-63.9	178.4	-113.4	4.5	109.9	R218 E220 G280 L285 V286 S290	R218-R288 VanDerWaalsContact O-CA 3.27Å; R218-R288 WeakPolarHBondContact O-CA 3.41Å; R218-R288 VanDerWaalsContact O-CD 3.22Å; R218-R288 WeakPolarHBondContact O-CD 3.5Å; E220-R288 HydrophobicContact CG-CG 4.09Å; G280-R288 WeakPolarHBondContact CA-O 3.37Å; L285-R288 HydrophobicContact CB-CB 3.98Å; L285-R288 HydrophobicContact CD2-CB 3.92Å; L285-R288 HydrophobicContact CD2-CG 4.46Å; L285-R288 PolarHBondContact O-N 2.97Å; V286-R288 PolarHBondContact O-N 2.96Å; R288-S290 PolarHBondContact O-N 2.93Å
289	W	97.4	Very high	96	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	18%	0.176	C	C	.	.			trans	-64.2	126.2	177.5	-62.1	117.9	0	0	0	110.8	Y194 L208 R210 T217 R218 T219 V274 D278 F292	Y194-W289 HydrophobicContact CD1-CH2 4.27Å; Y194-W289 HydrophobicContact CE1-CH2 4.1Å; L208-W289 PolarHBondContact O-NE1 2.89Å; R210-W289 HydrophobicContact CB-CH2 3.37Å; R210-W289 HydrophobicContact CB-CZ2 3.68Å; R210-W289 HydrophobicContact CB-CZ3 4.46Å; R210-W289 HydrophobicContact CG-CH2 4.36Å; T217-W289 HydrophobicContact CG2-CD2 3.62Å; T217-W289 HydrophobicContact CG2-CE3 3.57Å; T217-W289 HydrophobicContact CG2-CG 4.21Å; T217-W289 HydrophobicContact CG2-CH2 4.25Å; T217-W289 HydrophobicContact CG2-CZ2 4.26Å; T217-W289 HydrophobicContact CG2-CZ3 3.9Å; R218-W289 PolarHBondContact O-N 3.03Å; T219-W289 VanDerWaalsContact N-CD1 3.33Å; V274-W289 HydrophobicContact CB-CD2 4.29Å; V274-W289 HydrophobicContact CB-CE3 3.97Å; V274-W289 HydrophobicContact CB-CH2 4.49Å; V274-W289 HydrophobicContact CB-CZ3 4.08Å; V274-W289 HydrophobicContact CG1-CB 4.5Å; V274-W289 HydrophobicContact CG1-CD2 3.78Å; V274-W289 HydrophobicContact CG1-CE3 3.97Å; V274-W289 HydrophobicContact CG1-CG 4.02Å; V274-W289 HydrophobicContact CG1-CZ3 4.42Å; V274-W289 HydrophobicContact CG2-CE3 4.31Å; V274-W289 HydrophobicContact CG2-CH2 3.95Å; V274-W289 HydrophobicContact CG2-CZ2 4.38Å; V274-W289 HydrophobicContact CG2-CZ3 3.94Å; D278-W289 HydrophobicContact CB-CE3 4.01Å; D278-W289 HydrophobicContact CB-CZ3 4.04Å; W289-F292 HydrophobicContact CB-CB 3.61Å; W289-F292 HydrophobicContact CG-CB 4.19Å
290	S	96.8	Very high	96.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	16%	0.159	C	C	.	.	S	Bend	trans	-92.8	-6.8	169.6	70.1	0	0	0	0	112.3	D278 R288 S399 V410	D278-S290 PolarHBondContact OD1-N 2.88Å; D278-S290 PolarHBondContact OD1-OG 2.91Å; D278-S290 PolarHBondContact OD2-N 2.84Å; D278-S290 PolarHBondContact OD2-OG 2.91Å; R288-S290 PolarHBondContact O-N 2.93Å; S290-S399 VanDerWaalsContact OG-CB 3.27Å; S290-S399 WeakPolarHBondContact OG-CB 3.44Å; S290-V410 WeakPolarHBondContact O-CG1 3.3Å
291	S	97.6	Very high	95.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	17%	0.171	C	C	.	.	S	Bend	trans	-122.4	2.6	-174.6	63.4	0	0	0	0	115	C275 D278 L293	C275-S291 PolarHBondContact N-OG 3.48Å; D278-S291 VanDerWaalsContact OD2-CB 3.31Å; D278-S291 WeakPolarHBondContact OD2-CB 3.26Å; D278-S291 PolarHBondContact OD2-N 2.77Å; D278-S291 PolarHBondContact OD2-OG 2.83Å; S291-L293 PolarHBondContact O-N 2.94Å
292	F	98.5	Very high	95.6	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	20%	0.197	C	C	.	.			trans	-67.3	122.5	-176.4	178.3	-104.7	0	0	0	111.9	L208 T219 Q226 L227 R273 V274 W289 K294 P414	L208-F292 HydrophobicContact CD1-CD2 4.24Å; L208-F292 HydrophobicContact CD1-CE2 3.45Å; L208-F292 VanDerWaalsContact CD1-CE2 3.45Å; L208-F292 HydrophobicContact CD1-CZ 4.08Å; T219-F292 HydrophobicContact CG2-CD1 4.5Å; T219-F292 HydrophobicContact CG2-CG 4.46Å; Q226-F292 HydrophobicContact CB-CD1 4.37Å; Q226-F292 HydrophobicContact CB-CE1 4.01Å; Q226-F292 HydrophobicContact CG-CD1 4.22Å; Q226-F292 HydrophobicContact CG-CE1 4.3Å; L227-F292 HydrophobicContact CD2-CZ 4.49Å; R273-F292 WeakPolarHBondContact O-CA 3.18Å; V274-F292 HydrophobicContact CG1-CB 4.04Å; V274-F292 HydrophobicContact CG1-CD2 3.86Å; V274-F292 HydrophobicContact CG1-CG 4.47Å; W289-F292 HydrophobicContact CB-CB 3.61Å; W289-F292 HydrophobicContact CG-CB 4.19Å; F292-K294 HydrophobicContact CZ-CB 4.26Å; F292-K294 HydrophobicContact CZ-CD 4.42Å; F292-P414 HydrophobicContact CD1-CB 4.25Å; F292-P414 HydrophobicContact CE1-CB 4.4Å
293	L	98.7	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.5	171.2	-65	176.6	0	0	0	109.9	G272 R273 S291 F358 F362 V410 P414 M416	G272-L293 CarbonylContact C-O 3.58Å; G272-L293 WeakPolarHBondContact CA-O 3.38Å; R273-L293 PolarHBondContact N-O 2.87Å; R273-L293 PolarHBondContact O-N 3.39Å; R273-L293 VanDerWaalsContact O-N 3.13Å; S291-L293 PolarHBondContact O-N 2.94Å; L293-F358 HydrophobicContact CB-CD1 3.98Å; L293-F358 HydrophobicContact CB-CE1 3.97Å; L293-F362 HydrophobicContact CD1-CE1 4.07Å; L293-F362 HydrophobicContact CD2-CD1 4.3Å; L293-F362 HydrophobicContact CD2-CE1 3.71Å; L293-V410 HydrophobicContact CD2-CG2 4.15Å; L293-P414 CarbonylContact C-O 3.6Å; L293-P414 VanDerWaalsContact CA-O 3.31Å; L293-P414 WeakPolarHBondContact CA-O 3.44Å; L293-M416 HydrophobicContact CB-SD 4.3Å; L293-M416 HydrophobicContact CD1-SD 3.87Å; L293-M416 HydrophobicContact CD2-SD 4.2Å; L293-M416 HydrophobicContact CG-SD 4.36Å
294	K	98.4	Very high	94.5	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.3	173.1	69.7	-179.6	179	-173.8	0	112.6	Q225 Q226 F253 E255 R270 I271 F292 P414 V415 M416	Q225-K294 WeakPolarHBondContact O-CE 3.32Å; Q225-K294 PolarHBondContact O-NZ 3.1Å; Q226-K294 WeakPolarHBondContact O-CE 3.39Å; Q226-K294 PolarHBondContact O-NZ 3.01Å; F253-K294 HydrophobicContact CZ-CB 4.48Å; F253-K294 HydrophobicContact CZ-CD 4.13Å; E255-K294 WeakPolarHBondContact OE1-CE 3.35Å; E255-K294 IonicContact OE1-NZ 2.83Å; E255-K294 PolarHBondContact OE1-NZ 2.9Å; E255-K294 IonicContact OE2-NZ 3.28Å; E255-K294 PolarHBondContact OE2-NZ 3.32Å; R270-K294 HydrophobicContact CG-CD 4.39Å; I271-K294 CarbonylContact O-C 3.2Å; I271-K294 VanDerWaalsContact O-CA 3.3Å; I271-K294 WeakPolarHBondContact O-CA 3.24Å; F292-K294 HydrophobicContact CZ-CB 4.26Å; F292-K294 HydrophobicContact CZ-CD 4.42Å; K294-P414 PolarHBondContact N-O 3.34Å; K294-V415 HydrophobicContact CD-CG2 4.47Å; K294-V415 HydrophobicContact CG-CG2 4.11Å; K294-V415 CarbonylContact O-C 3.46Å; K294-V415 WeakPolarHBondContact O-CA 3.21Å; K294-M416 PolarHBondContact O-N 3.38Å
295	T	98.2	Very high	93.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.8	171	-172.2	0	0	0	0	111.3	R270 I271 A357 F358 R418 V420	R270-T295 WeakPolarHBondContact CA-O 3.34Å; R270-T295 WeakPolarHBondContact CD-O 3.39Å; I271-T295 HydrophobicContact CG2-CG2 3.57Å; I271-T295 PolarHBondContact N-O 2.73Å; I271-T295 PolarHBondContact O-N 3.21Å; T295-A357 HydrophobicContact CG2-CB 4.15Å; T295-F358 HydrophobicContact CG2-CE1 4.3Å; T295-F358 HydrophobicContact CG2-CE2 4.37Å; T295-F358 HydrophobicContact CG2-CZ 4.11Å; T295-R418 PolarHBondContact OG1-O 2.76Å; T295-V420 HydrophobicContact CG2-CG2 3.69Å
296	R	97.5	Very high	93.2	Very high	59 Å²	59	39.6 Å²	39.6	22%	0.223	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.3	175.8	-172.7	177.9	-179.8	-179.2	1.8	109.8	I298 H310 D312 P419 V420	R296-I298 HydrophobicContact CG-CG1 3.94Å; R296-H310 PolarHBondContact NH2-ND1 3Å; R296-D312 IonicContact CZ-OD1 2.8Å; R296-D312 IonicContact NE-OD1 3.79Å; R296-D312 IonicContact NH2-OD1 2.73Å; R296-D312 PolarHBondContact NH2-OD1 2.9Å; R296-D312 IonicContact NH2-OD2 3.59Å; R296-P419 HydrophobicContact CB-CB 4.14Å; R296-P419 WeakPolarHBondContact O-CA 3.38Å; R296-V420 PolarHBondContact O-N 2.87Å
297	L	97.9	Very high	92.7	Very high	3 Å²	3	42 Å²	42	2%	0.016	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-102	116.7	168.6	-167	65.3	0	0	0	107.6	T269 F334 Y349 V420	T269-L297 HydrophobicContact CG2-CB 4.02Å; T269-L297 HydrophobicContact CG2-CD2 4.19Å; T269-L297 PolarHBondContact O-N 3.28Å; L297-F334 HydrophobicContact CD2-CE1 4.49Å; L297-F334 HydrophobicContact CD2-CZ 3.93Å; L297-F334 HydrophobicContact CG-CZ 4.29Å; L297-Y349 HydrophobicContact CD1-CD1 3.52Å; L297-Y349 HydrophobicContact CD1-CD2 3.95Å; L297-Y349 HydrophobicContact CD1-CE1 3.39Å; L297-Y349 HydrophobicContact CD1-CE2 3.86Å; L297-Y349 HydrophobicContact CD1-CG 3.79Å; L297-Y349 HydrophobicContact CD2-CD2 4.31Å; L297-Y349 HydrophobicContact CD2-CE2 3.84Å; L297-Y349 HydrophobicContact CG-CD1 4.41Å; L297-Y349 HydrophobicContact CG-CD2 4.39Å; L297-Y349 HydrophobicContact CG-CE1 3.85Å; L297-Y349 HydrophobicContact CG-CE2 3.84Å; L297-V420 HydrophobicContact CD1-CB 3.75Å; L297-V420 HydrophobicContact CD1-CG1 3.74Å
298	I	97.6	Very high	92.5	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.097	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-100.2	128.2	-174.1	-66.1	-179.8	0	0	0	110.2	R296 Y349 P419 V420 L421 P422	R296-I298 HydrophobicContact CG-CG1 3.94Å; I298-Y349 WeakPolarHBondContact O-CE1 3.33Å; I298-Y349 PolarHBondContact O-OH 3.3Å; I298-P419 HydrophobicContact CD1-CB 3.42Å; I298-P419 VanDerWaalsContact CD1-CB 3.42Å; I298-P419 HydrophobicContact CD1-CG 3.61Å; I298-P419 HydrophobicContact CG1-CB 3.87Å; I298-V420 PolarHBondContact N-O 2.8Å; I298-L421 HydrophobicContact CB-CD2 4.05Å; I298-L421 HydrophobicContact CD1-CD2 3.91Å; I298-L421 HydrophobicContact CG2-CD2 4.12Å; I298-P422 VanDerWaalsContact O-CD 3.26Å; I298-P422 WeakPolarHBondContact O-CD 3.34Å
299	C	97.4	Very high	92.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.251	C	S	.	.			trans	-125.8	109.6	162.3	-166	0	0	0	0	108.2	F311 F334 C347	C299-F311 HydrophobicContact CB-CB 4.49Å; C299-F311 PolarHBondContact O-N 3.04Å; C299-F334 HydrophobicContact CB-CB 4.49Å; C299-F334 HydrophobicContact CB-CD1 4.11Å; C299-F334 HydrophobicContact CB-CD2 3.71Å; C299-F334 HydrophobicContact CB-CE1 4.2Å; C299-F334 HydrophobicContact CB-CE2 3.87Å; C299-F334 HydrophobicContact CB-CG 3.86Å; C299-F334 HydrophobicContact CB-CZ 4.12Å; C299-C347 VanDerWaalsContact CA-SG 3.51Å; C299-C347 HydrophobicContact CB-CB 3.85Å; C299-C347 WeakPolarHBondContact CB-SG 3.1Å; C299-C347 WeakPolarHBondContact SG-CB 3.07Å; C299-C347 CovalentContact SG-SG 2.05Å; C299-C347 PolarHBondContact SG-SG 2.86Å
300	S	94.8	Very high	92	Very high	10 Å²	10	43.9 Å²	43.9	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.5	-177.9	60.6	0	0	0	0	112.6	D308 T309 P427	S300-D308 PolarHBondContact OG-OD2 3.42Å; S300-D308 VanDerWaalsContact OG-OD2 3.04Å; S300-T309 CarbonylContact C-O 3.59Å; S300-T309 WeakPolarHBondContact CA-O 3.4Å; S300-T309 WeakPolarHBondContact CB-O 3.45Å; S300-P427 WeakPolarHBondContact O-CD 3.26Å
301	V	91.7	Very high	91.9	Very high	40 Å²	40	44 Å²	44	24%	0.242	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.9	170.3	178.9	0	0	0	0	108.2	G303 D308 T309 F311 P427 L430	V301-G303 PolarHBondContact O-N 3.3Å; V301-D308 WeakPolarHBondContact O-CA 3.39Å; V301-T309 PolarHBondContact N-O 2.67Å; V301-T309 PolarHBondContact O-N 2.84Å; V301-F311 HydrophobicContact CG2-CE2 4.06Å; V301-P427 HydrophobicContact CG2-CG 3.73Å; V301-L430 HydrophobicContact CG2-CD1 3.91Å; V301-L430 HydrophobicContact CG2-CD2 3.99Å
302	P	87.3	Confident	91.8	Very high	88 Å²	88	44.7 Å²	44.7	57%	0.571	27%	0.268	S	S	*	.			trans	-65.9	125.9	177.5	26.4	-33	0	0	0	110.5	D308	P302-D308 WeakPolarHBondContact CA-OD1 3.19Å
303	G	82	Confident	91.7	Very high	19 Å²	19	45.6 Å²	45.6	20%	0.196	27%	0.273	C	S	.	.			trans	-83	157	177.7	0	0	0	0	0	112.7	V301 N305 G306 I307	V301-G303 PolarHBondContact O-N 3.3Å; G303-N305 PolarHBondContact O-N 3.01Å; G303-N305 VanDerWaalsContact O-N 3.15Å; G303-G306 PolarHBondContact O-N 2.94Å; G303-I307 WeakPolarHBondContact CA-O 3.37Å; G303-I307 PolarHBondContact N-O 2.9Å; G303-I307 VanDerWaalsContact N-O 3.09Å
304	P	80.1	Confident	91.7	Very high	138 Å²	138	45.7 Å²	45.7	90%	0.896	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.2	179.7	25.1	-34	0	0	0	113.3	G306	P304-G306 VanDerWaalsContact C-N 3.29Å
305	N	80.8	Confident	91.6	Very high	145 Å²	145	47.8 Å²	47.8	78%	0.775	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	8.5	178.2	-59.1	-12.2	0	0	0	112.8	G303 I307	G303-N305 PolarHBondContact O-N 3.01Å; G303-N305 VanDerWaalsContact O-N 3.15Å; N305-I307 PolarHBondContact O-N 3.27Å
306	G	79.8	Confident	91.6	Very high	67 Å²	67	48.6 Å²	48.6	69%	0.691	29%	0.288	S	S	*	.	S	Bend	trans	74.5	7.8	-173.3	0	0	0	0	0	114.6	G303 P304	G303-G306 PolarHBondContact O-N 2.94Å; P304-G306 VanDerWaalsContact C-N 3.29Å
307	I	84.4	Confident	91.7	Very high	127 Å²	127	46.8 Å²	46.8	65%	0.651	28%	0.283	S	S	*	.			trans	-99.6	118.7	174.1	-58.5	174.9	0	0	0	108.5	G303 N305	G303-I307 WeakPolarHBondContact CA-O 3.37Å; G303-I307 PolarHBondContact N-O 2.9Å; G303-I307 VanDerWaalsContact N-O 3.09Å; N305-I307 PolarHBondContact O-N 3.27Å
308	D	89.4	Confident	91.7	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.353	29%	0.29	S	S	.	.			trans	-70.5	136.6	177.3	-80	18.2	0	0	0	111.7	S300 V301 P302	S300-D308 PolarHBondContact OG-OD2 3.42Å; S300-D308 VanDerWaalsContact OG-OD2 3.04Å; V301-D308 WeakPolarHBondContact O-CA 3.39Å; P302-D308 WeakPolarHBondContact CA-OD1 3.19Å
309	T	90.7	Very high	91.7	Very high	69 Å²	69	49.3 Å²	49.3	42%	0.423	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.7	167	-59.3	0	0	0	0	108.8	S300 V301 F311	S300-T309 CarbonylContact C-O 3.59Å; S300-T309 WeakPolarHBondContact CA-O 3.4Å; S300-T309 WeakPolarHBondContact CB-O 3.45Å; V301-T309 PolarHBondContact N-O 2.67Å; V301-T309 PolarHBondContact O-N 2.84Å; T309-F311 HydrophobicContact CG2-CE2 4.26Å; T309-F311 HydrophobicContact CG2-CZ 4.42Å
310	H	92.6	Very high	91.7	Very high	61 Å²	61	50.1 Å²	50.1	28%	0.282	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.2	-177.7	-68.8	-86.7	0	0	0	113.1	R296 D312	R296-H310 PolarHBondContact NH2-ND1 3Å; H310-D312 WeakPolarHBondContact CB-OD2 3.2Å; H310-D312 IonicContact CG-OD2 2.79Å
311	F	95.5	Very high	91.6	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.018	33%	0.327	C	S	.	.			trans	-113.5	84.6	170.2	-59.5	-99.8	0	0	0	107.3	C299 V301 T309 F334 S335 T336 A345 L430	C299-F311 HydrophobicContact CB-CB 4.49Å; C299-F311 PolarHBondContact O-N 3.04Å; V301-F311 HydrophobicContact CG2-CE2 4.06Å; T309-F311 HydrophobicContact CG2-CE2 4.26Å; T309-F311 HydrophobicContact CG2-CZ 4.42Å; F311-F334 HydrophobicContact CB-CB 3.55Å; F311-F334 HydrophobicContact CB-CG 4.49Å; F311-F334 WeakPolarHBondContact O-CB 3.42Å; F311-F334 WeakPolarHBondContact O-CD1 3.33Å; F311-S335 CarbonylContact C-O 3.55Å; F311-T336 HydrophobicContact CD1-CG2 3.65Å; F311-T336 HydrophobicContact CE1-CG2 3.63Å; F311-T336 HydrophobicContact CG-CG2 4.41Å; F311-T336 HydrophobicContact CZ-CG2 4.37Å; F311-A345 HydrophobicContact CB-CB 4.19Å; F311-A345 HydrophobicContact CD1-CB 3.75Å; F311-A345 HydrophobicContact CD2-CB 3.76Å; F311-A345 HydrophobicContact CE1-CB 4.05Å; F311-A345 HydrophobicContact CE2-CB 4.08Å; F311-A345 HydrophobicContact CG-CB 3.62Å; F311-A345 HydrophobicContact CZ-CB 4.23Å; F311-L430 HydrophobicContact CE1-CD1 4.17Å; F311-L430 HydrophobicContact CE2-CD1 3.87Å; F311-L430 HydrophobicContact CZ-CD1 3.41Å; F311-L430 VanDerWaalsContact CZ-CD1 3.41Å
312	D	95.2	Very high	91.4	Very high	16 Å²	16	56 Å²	56	9%	0.086	33%	0.33	C	S	.	.			trans	-96.5	-5.5	-170.1	-68.4	-58.2	0	0	0	114.3	I267 T269 R296 H310 S335 T337	I267-D312 WeakPolarHBondContact O-CB 3.4Å; T269-D312 PolarHBondContact N-O 3.13Å; T269-D312 PolarHBondContact OG1-O 3Å; R296-D312 IonicContact CZ-OD1 2.8Å; R296-D312 IonicContact NE-OD1 3.79Å; R296-D312 IonicContact NH2-OD1 2.73Å; R296-D312 PolarHBondContact NH2-OD1 2.9Å; R296-D312 IonicContact NH2-OD2 3.59Å; H310-D312 WeakPolarHBondContact CB-OD2 3.2Å; H310-D312 IonicContact CG-OD2 2.79Å; D312-S335 PolarHBondContact N-O 2.79Å; D312-T337 HydrophobicContact CB-CG2 4.07Å
313	D	95.8	Very high	91.3	Very high	23 Å²	23	62.3 Å²	62.3	12%	0.123	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	105.9	175.8	-166.5	7.3	0	0	0	110.8	K231 E315 F334 S335 T337	K231-D313 IonicContact NZ-OD1 3.67Å; K231-D313 PolarHBondContact NZ-OD1 2.84Å; D313-E315 PolarHBondContact O-N 3.02Å; D313-F334 CarbonylContact O-C 3.52Å; D313-F334 VanDerWaalsContact O-CA 3.3Å; D313-F334 WeakPolarHBondContact O-CA 3.48Å; D313-S335 PolarHBondContact N-O 2.8Å; D313-S335 VanDerWaalsContact N-O 3.11Å; D313-S335 PolarHBondContact O-N 2.84Å; D313-T337 HydrophobicContact CB-CG2 4.28Å
314	L	98.1	Very high	91.7	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.2	178.1	-173	70.6	0	0	0	110.3	K231 V233 F252 T254 T269 D316 F334	K231-L314 PolarHBondContact NZ-O 3.42Å; V233-L314 HydrophobicContact CB-CD2 3.87Å; V233-L314 HydrophobicContact CB-CG 4.35Å; V233-L314 HydrophobicContact CG1-CD2 3.95Å; V233-L314 HydrophobicContact CG1-CG 4.07Å; V233-L314 HydrophobicContact CG2-CB 4.25Å; V233-L314 HydrophobicContact CG2-CD2 3.96Å; V233-L314 HydrophobicContact CG2-CG 4.13Å; F252-L314 HydrophobicContact CB-CD2 3.95Å; T254-L314 HydrophobicContact CG2-CB 3.61Å; T269-L314 HydrophobicContact CG2-CB 3.79Å; T269-L314 HydrophobicContact CG2-CD1 4.42Å; T269-L314 HydrophobicContact CG2-CD2 3.9Å; T269-L314 HydrophobicContact CG2-CG 4.26Å; L314-D316 WeakPolarHBondContact CD1-O 3.05Å; L314-F334 HydrophobicContact CB-CD1 4.42Å; L314-F334 HydrophobicContact CB-CE1 4.48Å; L314-F334 HydrophobicContact CD1-CD1 3.95Å; L314-F334 HydrophobicContact CD1-CD2 4.4Å; L314-F334 HydrophobicContact CD1-CE1 3.68Å; L314-F334 HydrophobicContact CD1-CE2 4.11Å; L314-F334 HydrophobicContact CD1-CG 4.32Å; L314-F334 HydrophobicContact CD1-CZ 3.73Å
315	E	97.4	Very high	92.2	Very high	47 Å²	47	63.7 Å²	63.7	22%	0.22	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-42.5	177.6	-57.9	-64.5	-173.8	0	0	111.9	K231 D313 L333 S335 Y344	K231-E315 IonicContact NZ-OE2 3.44Å; K231-E315 PolarHBondContact NZ-OE2 2.79Å; D313-E315 PolarHBondContact O-N 3.02Å; E315-L333 HydrophobicContact CB-CD2 4.23Å; E315-L333 HydrophobicContact CB-CG 4.19Å; E315-L333 PolarHBondContact N-O 2.82Å; E315-S335 VanDerWaalsContact OE1-CB 3.3Å; E315-S335 WeakPolarHBondContact OE1-CB 3.42Å; E315-S335 PolarHBondContact OE1-OG 3.31Å; E315-Y344 HydrophobicContact CG-CE1 4.21Å
316	D	98.5	Very high	92.8	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	157.8	-179.4	-167	20.9	0	0	0	112.2	L314 L333 Q441 I442	L314-D316 WeakPolarHBondContact CD1-O 3.05Å; D316-L333 HydrophobicContact CB-CB 4.38Å; D316-L333 PolarHBondContact N-O 3.41Å; D316-L333 PolarHBondContact O-N 3.4Å; D316-Q441 WeakPolarHBondContact OD2-CA 3.42Å; D316-Q441 PolarHBondContact OD2-OE1 3.01Å; D316-I442 HydrophobicContact CB-CG2 4.13Å; D316-I442 PolarHBondContact OD2-N 2.86Å
317	V	98.5	Very high	93.5	Very high	21 Å²	21	58 Å²	58	13%	0.127	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.6	177.8	64	0	0	0	0	111.3	V233 F252 I330 F331	V233-V317 HydrophobicContact CG1-CG1 4.24Å; F252-V317 HydrophobicContact CB-CB 4.49Å; F252-V317 HydrophobicContact CB-CG1 4.04Å; F252-V317 HydrophobicContact CD1-CG2 4.02Å; F252-V317 HydrophobicContact CD2-CG1 3.97Å; F252-V317 HydrophobicContact CD2-CG2 4.09Å; F252-V317 HydrophobicContact CE1-CG2 4.15Å; F252-V317 HydrophobicContact CE2-CG2 4.25Å; F252-V317 HydrophobicContact CG-CB 4.38Å; F252-V317 HydrophobicContact CG-CG1 4.06Å; F252-V317 HydrophobicContact CG-CG2 3.98Å; F252-V317 HydrophobicContact CZ-CG2 4.28Å; V317-I330 HydrophobicContact CG2-CG2 3.83Å; V317-F331 CarbonylContact C-O 3.47Å; V317-F331 WeakPolarHBondContact CA-O 3.48Å
318	F	98.6	Very high	94.1	Very high	37 Å²	37	52 Å²	52	16%	0.162	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123	175.3	-171	-92	0	0	0	111	L320 F331 I442 A443 V444 I502	F318-L320 HydrophobicContact CD1-CB 4.18Å; F318-L320 HydrophobicContact CE1-CB 3.97Å; F318-L320 HydrophobicContact CE1-CD1 4.03Å; F318-F331 HydrophobicContact CB-CB 4.33Å; F318-F331 PolarHBondContact N-O 3.05Å; F318-F331 PolarHBondContact O-N 2.05Å; F318-I442 HydrophobicContact CB-CG2 4.14Å; F318-A443 HydrophobicContact CD2-CB 4.22Å; F318-A443 HydrophobicContact CE2-CB 4.03Å; F318-V444 HydrophobicContact CD1-CB 3.73Å; F318-V444 HydrophobicContact CD1-CG2 3.95Å; F318-V444 HydrophobicContact CE1-CB 3.84Å; F318-V444 WeakPolarHBondContact CE1-O 3.43Å; F318-V444 HydrophobicContact CG-CG2 4.39Å; F318-V444 VanDerWaalsContact CZ-O 3.31Å; F318-V444 WeakPolarHBondContact CZ-O 3.46Å; F318-I502 HydrophobicContact CE2-CG2 3.78Å; F318-I502 HydrophobicContact CZ-CG2 3.64Å
319	V	97.9	Very high	94.5	Very high	37 Å²	37	49.4 Å²	49.4	22%	0.224	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	99.6	177.8	-178	0	0	0	0	109.2	A236 I238 F252 T321 P328 I330	A236-V319 HydrophobicContact CB-CG1 4.42Å; A236-V319 HydrophobicContact CB-CG2 3.99Å; I238-V319 HydrophobicContact CD1-CG1 4.38Å; F252-V319 HydrophobicContact CE2-CG2 4.4Å; V319-T321 HydrophobicContact CG1-CG2 4.49Å; V319-T321 PolarHBondContact O-N 3.46Å; V319-T321 VanDerWaalsContact O-N 3.14Å; V319-P328 HydrophobicContact CG1-CB 3.82Å; V319-P328 HydrophobicContact CG1-CG 4.15Å; V319-I330 HydrophobicContact CB-CD1 4.19Å; V319-I330 HydrophobicContact CG1-CD1 3.76Å; V319-I330 HydrophobicContact CG2-CD1 3.84Å
320	L	97.3	Very high	94.9	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.089	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	97	178.5	-179.6	65.7	0	0	0	109.8	F318 P328 E329 F331 V444 K446	F318-L320 HydrophobicContact CD1-CB 4.18Å; F318-L320 HydrophobicContact CE1-CB 3.97Å; F318-L320 HydrophobicContact CE1-CD1 4.03Å; L320-P328 VanDerWaalsContact O-CA 3.27Å; L320-P328 WeakPolarHBondContact O-CA 3.08Å; L320-P328 VanDerWaalsContact O-CB 3.31Å; L320-P328 WeakPolarHBondContact O-CB 3.34Å; L320-E329 HydrophobicContact CB-CB 4.27Å; L320-E329 WeakPolarHBondContact CB-O 3.28Å; L320-E329 HydrophobicContact CD2-CB 4.39Å; L320-E329 WeakPolarHBondContact CD2-OE2 3.49Å; L320-E329 PolarHBondContact N-O 2.97Å; L320-E329 PolarHBondContact O-N 3.15Å; L320-E329 VanDerWaalsContact O-N 3.08Å; L320-F331 HydrophobicContact CB-CD2 4.37Å; L320-F331 HydrophobicContact CB-CE2 4.09Å; L320-F331 HydrophobicContact CD2-CE2 3.95Å; L320-V444 HydrophobicContact CD2-CG1 4.42Å; L320-K446 HydrophobicContact CD2-CB 4.14Å; L320-K446 HydrophobicContact CD2-CD 4.48Å
321	T	91.9	Very high	95.2	Very high	101 Å²	101	43.3 Å²	43.3	62%	0.62	21%	0.213	S	C	*	.			trans	-70.9	129.8	176.1	46.4	0	0	0	0	111.1	V319	V319-T321 HydrophobicContact CG1-CG2 4.49Å; V319-T321 PolarHBondContact O-N 3.46Å; V319-T321 VanDerWaalsContact O-N 3.14Å
322	K	87.6	Confident	95.3	Very high	72 Å²	72	43.1 Å²	43.1	31%	0.313	21%	0.213	S	C	.	.			trans	-96.5	-179.7	175.5	-61.9	-177.8	-170.2	169.9	0	110	D324 N327 E329	K322-D324 PolarHBondContact O-N 3.11Å; K322-N327 WeakPolarHBondContact CD-O 3.48Å; K322-N327 WeakPolarHBondContact CE-O 3.34Å; K322-E329 VanDerWaalsContact CE-CG 3.47Å; K322-E329 WeakPolarHBondContact CE-OE1 3.42Å; K322-E329 WeakPolarHBondContact CE-OE2 3.28Å; K322-E329 IonicContact NZ-OE1 2.87Å; K322-E329 PolarHBondContact NZ-OE1 2.81Å; K322-E329 IonicContact NZ-OE2 3.59Å
323	K	86.3	Confident	95.5	Very high	221 Å²	221	42.4 Å²	42.4	96%	0.961	21%	0.209	S	C	*	.	S	Bend	trans	-54.6	-35.5	167	-71	-175.2	178.4	179.4	0	111.9
324	D	89.4	Confident	95.6	Very high	67 Å²	67	41.3 Å²	41.3	36%	0.358	20%	0.203	S	C	.	.	S	Bend	trans	-89.2	102	169	-179.2	12.9	0	0	0	109.3	K322 K326 N327	K322-D324 PolarHBondContact O-N 3.11Å; D324-K326 PolarHBondContact O-N 3.3Å; D324-K326 VanDerWaalsContact O-N 3.17Å; D324-K326 VanDerWaalsContact OD1-CB 3.3Å; D324-K326 WeakPolarHBondContact OD1-CB 3.08Å; D324-K326 PolarHBondContact OD1-N 2.69Å; D324-K326 VanDerWaalsContact OD1-N 3.09Å; D324-N327 PolarHBondContact O-N 2.98Å; D324-N327 VanDerWaalsContact O-N 3.15Å; D324-N327 PolarHBondContact OD2-ND2 2.88Å
325	E	90.1	Very high	95.5	Very high	120 Å²	120	41.2 Å²	41.2	56%	0.561	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.3	179.1	-64.6	-174.3	174.9	0	0	112.7
326	K	93.6	Very high	95.2	Very high	49 Å²	49	39.3 Å²	39.3	21%	0.213	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-25.8	178	-55.5	166.2	-167.9	166.5	0	111.7	P239 D242 D324 P328 R355	P239-K326 HydrophobicContact CB-CG 4.34Å; P239-K326 WeakPolarHBondContact O-CA 3.16Å; D242-K326 VanDerWaalsContact OD1-CE 3.23Å; D242-K326 WeakPolarHBondContact OD1-CE 3.26Å; D242-K326 IonicContact OD1-NZ 3.44Å; D242-K326 PolarHBondContact OD1-NZ 2.71Å; D242-K326 IonicContact OD2-NZ 2.64Å; D242-K326 PolarHBondContact OD2-NZ 2.8Å; D324-K326 PolarHBondContact O-N 3.3Å; D324-K326 VanDerWaalsContact O-N 3.17Å; D324-K326 VanDerWaalsContact OD1-CB 3.3Å; D324-K326 WeakPolarHBondContact OD1-CB 3.08Å; D324-K326 PolarHBondContact OD1-N 2.69Å; D324-K326 VanDerWaalsContact OD1-N 3.09Å; K326-P328 VanDerWaalsContact O-CD 3.29Å; K326-P328 WeakPolarHBondContact O-CD 3.43Å; K326-R355 PolarHBondContact O-NH2 2.92Å
327	N	95.2	Very high	94.8	Very high	43 Å²	43	41.7 Å²	41.7	23%	0.23	21%	0.209	C	C	.	.	S	Bend	trans	-122.5	57.7	-172.4	-68.3	-57.3	0	0	0	113.2	K322 D324 R355	K322-N327 WeakPolarHBondContact CD-O 3.48Å; K322-N327 WeakPolarHBondContact CE-O 3.34Å; D324-N327 PolarHBondContact O-N 2.98Å; D324-N327 VanDerWaalsContact O-N 3.15Å; D324-N327 PolarHBondContact OD2-ND2 2.88Å; N327-R355 PolarHBondContact OD1-NH1 2.84Å
328	P	97.1	Very high	94	Very high	2 Å²	2	43 Å²	43	1%	0.013	22%	0.219	C	C	.	.			trans	-63.3	158.8	171.4	29.1	-35.8	0	0	0	112.1	I238 V319 L320 K326 I330 M351	I238-P328 HydrophobicContact CD1-CG 3.91Å; I238-P328 HydrophobicContact CG1-CG 4.29Å; I238-P328 HydrophobicContact CG2-CG 3.91Å; V319-P328 HydrophobicContact CG1-CB 3.82Å; V319-P328 HydrophobicContact CG1-CG 4.15Å; L320-P328 VanDerWaalsContact O-CA 3.27Å; L320-P328 WeakPolarHBondContact O-CA 3.08Å; L320-P328 VanDerWaalsContact O-CB 3.31Å; L320-P328 WeakPolarHBondContact O-CB 3.34Å; K326-P328 VanDerWaalsContact O-CD 3.29Å; K326-P328 WeakPolarHBondContact O-CD 3.43Å; P328-I330 HydrophobicContact CB-CD1 4.45Å; P328-I330 HydrophobicContact CG-CD1 4.28Å; P328-M351 HydrophobicContact CG-CG 3.64Å; P328-M351 HydrophobicContact CG-SD 4.42Å
329	E	97.6	Very high	92.8	Very high	11 Å²	11	45.9 Å²	45.9	5%	0.051	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.4	165.9	-79.6	152.7	-178.7	0	0	108.4	L320 K322 F331 M348 H350 K446 H455	L320-E329 HydrophobicContact CB-CB 4.27Å; L320-E329 WeakPolarHBondContact CB-O 3.28Å; L320-E329 HydrophobicContact CD2-CB 4.39Å; L320-E329 WeakPolarHBondContact CD2-OE2 3.49Å; L320-E329 PolarHBondContact N-O 2.97Å; L320-E329 PolarHBondContact O-N 3.15Å; L320-E329 VanDerWaalsContact O-N 3.08Å; K322-E329 VanDerWaalsContact CE-CG 3.47Å; K322-E329 WeakPolarHBondContact CE-OE1 3.42Å; K322-E329 WeakPolarHBondContact CE-OE2 3.28Å; K322-E329 IonicContact NZ-OE1 2.87Å; K322-E329 PolarHBondContact NZ-OE1 2.81Å; K322-E329 IonicContact NZ-OE2 3.59Å; E329-F331 HydrophobicContact CB-CD2 4.47Å; E329-F331 HydrophobicContact CB-CE2 3.78Å; E329-M348 HydrophobicContact CG-SD 4.4Å; E329-H350 IonicContact OE1-CE1 3.74Å; E329-K446 IonicContact OE1-NZ 3.31Å; E329-K446 PolarHBondContact OE1-NZ 3.27Å; E329-K446 VanDerWaalsContact OE1-NZ 3.17Å; E329-K446 IonicContact OE2-NZ 3.8Å; E329-K446 PolarHBondContact OE2-NZ 2.99Å; E329-H455 IonicContact OE2-NE2 2.78Å; E329-H455 PolarHBondContact OE2-NE2 2.87Å
330	I	98.4	Very high	91.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122	-178.6	-49.7	-60.3	0	0	0	108.6	I238 F252 V317 V319 P328 M348 Y349 M351 I354	I238-I330 HydrophobicContact CD1-CD1 4.18Å; F252-I330 HydrophobicContact CE1-CG2 3.74Å; F252-I330 HydrophobicContact CZ-CD1 4.37Å; F252-I330 HydrophobicContact CZ-CG2 3.88Å; V317-I330 HydrophobicContact CG2-CG2 3.83Å; V319-I330 HydrophobicContact CB-CD1 4.19Å; V319-I330 HydrophobicContact CG1-CD1 3.76Å; V319-I330 HydrophobicContact CG2-CD1 3.84Å; P328-I330 HydrophobicContact CB-CD1 4.45Å; P328-I330 HydrophobicContact CG-CD1 4.28Å; I330-M348 CarbonylContact O-C 3.5Å; I330-M348 WeakPolarHBondContact O-CA 3.37Å; I330-Y349 PolarHBondContact N-O 3.46Å; I330-Y349 PolarHBondContact O-N 3.46Å; I330-M351 HydrophobicContact CD1-SD 4.14Å; I330-M351 HydrophobicContact CG1-SD 3.97Å; I330-I354 HydrophobicContact CG1-CD1 3.96Å
331	F	98.7	Very high	90.8	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.5	175.2	-67.5	-102.2	0	0	0	108.9	V317 F318 L320 E329 V346 C347 M348 I428 I442 V444 H455	V317-F331 CarbonylContact C-O 3.47Å; V317-F331 WeakPolarHBondContact CA-O 3.48Å; F318-F331 HydrophobicContact CB-CB 4.33Å; F318-F331 PolarHBondContact N-O 3.05Å; F318-F331 PolarHBondContact O-N 2.05Å; L320-F331 HydrophobicContact CB-CD2 4.37Å; L320-F331 HydrophobicContact CB-CE2 4.09Å; L320-F331 HydrophobicContact CD2-CE2 3.95Å; E329-F331 HydrophobicContact CB-CD2 4.47Å; E329-F331 HydrophobicContact CB-CE2 3.78Å; F331-V346 HydrophobicContact CD1-CG1 4.4Å; F331-C347 WeakPolarHBondContact CA-O 3.23Å; F331-M348 HydrophobicContact CD1-CB 4.21Å; F331-M348 HydrophobicContact CD1-CG 4.2Å; F331-M348 HydrophobicContact CE1-CB 4.08Å; F331-M348 HydrophobicContact CE1-CE 3.78Å; F331-M348 HydrophobicContact CE1-CG 3.82Å; F331-M348 HydrophobicContact CE1-SD 4.34Å; F331-M348 HydrophobicContact CE2-CG 4.14Å; F331-M348 HydrophobicContact CZ-CE 3.87Å; F331-M348 HydrophobicContact CZ-CG 3.77Å; F331-M348 HydrophobicContact CZ-SD 4.02Å; F331-I428 HydrophobicContact CD1-CD1 3.85Å; F331-I428 HydrophobicContact CE1-CD1 3.64Å; F331-I442 HydrophobicContact CB-CD1 4.39Å; F331-V444 HydrophobicContact CB-CG2 4.25Å; F331-V444 HydrophobicContact CD1-CG2 4.01Å; F331-V444 HydrophobicContact CD2-CB 4.44Å; F331-V444 HydrophobicContact CD2-CG2 4.06Å; F331-V444 HydrophobicContact CE1-CG1 4.28Å; F331-V444 HydrophobicContact CE1-CG2 4.35Å; F331-V444 HydrophobicContact CE2-CB 4.46Å; F331-V444 HydrophobicContact CE2-CG1 4.11Å; F331-V444 HydrophobicContact CE2-CG2 4.43Å; F331-V444 HydrophobicContact CG-CG2 3.85Å; F331-V444 HydrophobicContact CZ-CG1 3.97Å; F331-H455 HydrophobicContact CZ-CB 4.35Å; F331-H455 AromaticContact CZ-CD2 3.94Å; F331-H455 AromaticContact CZ-CG 3.95Å
332	G	98.6	Very high	90.4	Very high	1 Å²	1	53 Å²	53	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.9	171.9	0	0	0	0	0	110.6	F334 V346 C347	G332-F334 VanDerWaalsContact C-CE2 3.42Å; G332-F334 VanDerWaalsContact O-CD2 3.22Å; G332-F334 WeakPolarHBondContact O-CD2 3.07Å; G332-F334 VanDerWaalsContact O-CE2 3.26Å; G332-F334 WeakPolarHBondContact O-CE2 3.37Å; G332-V346 WeakPolarHBondContact O-CA 3.42Å; G332-C347 PolarHBondContact N-O 3.49Å; G332-C347 PolarHBondContact O-N 2.74Å
333	L	98.6	Very high	90.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119	167.7	174.5	64.2	0	0	0	108.3	E315 D316 V346 L439 I442	E315-L333 HydrophobicContact CB-CD2 4.23Å; E315-L333 HydrophobicContact CB-CG 4.19Å; E315-L333 PolarHBondContact N-O 2.82Å; D316-L333 HydrophobicContact CB-CB 4.38Å; D316-L333 PolarHBondContact N-O 3.41Å; D316-L333 PolarHBondContact O-N 3.4Å; L333-V346 HydrophobicContact CD1-CG2 3.83Å; L333-L439 HydrophobicContact CD1-CB 3.92Å; L333-L439 HydrophobicContact CD1-CD1 4.04Å; L333-L439 HydrophobicContact CD2-CB 3.92Å; L333-L439 HydrophobicContact CG-CB 4.45Å; L333-I442 HydrophobicContact CB-CB 4.44Å; L333-I442 HydrophobicContact CB-CG2 4.08Å
334	F	97.9	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.8	-174.9	-58.7	-101.4	0	0	0	110.6	T269 L297 C299 F311 D313 L314 G332 Y344 A345 C347 Y349	T269-F334 HydrophobicContact CG2-CE1 3.78Å; L297-F334 HydrophobicContact CD2-CE1 4.49Å; L297-F334 HydrophobicContact CD2-CZ 3.93Å; L297-F334 HydrophobicContact CG-CZ 4.29Å; C299-F334 HydrophobicContact CB-CB 4.49Å; C299-F334 HydrophobicContact CB-CD1 4.11Å; C299-F334 HydrophobicContact CB-CD2 3.71Å; C299-F334 HydrophobicContact CB-CE1 4.2Å; C299-F334 HydrophobicContact CB-CE2 3.87Å; C299-F334 HydrophobicContact CB-CG 3.86Å; C299-F334 HydrophobicContact CB-CZ 4.12Å; F311-F334 HydrophobicContact CB-CB 3.55Å; F311-F334 HydrophobicContact CB-CG 4.49Å; F311-F334 WeakPolarHBondContact O-CB 3.42Å; F311-F334 WeakPolarHBondContact O-CD1 3.33Å; D313-F334 CarbonylContact O-C 3.52Å; D313-F334 VanDerWaalsContact O-CA 3.3Å; D313-F334 WeakPolarHBondContact O-CA 3.48Å; L314-F334 HydrophobicContact CB-CD1 4.42Å; L314-F334 HydrophobicContact CB-CE1 4.48Å; L314-F334 HydrophobicContact CD1-CD1 3.95Å; L314-F334 HydrophobicContact CD1-CD2 4.4Å; L314-F334 HydrophobicContact CD1-CE1 3.68Å; L314-F334 HydrophobicContact CD1-CE2 4.11Å; L314-F334 HydrophobicContact CD1-CG 4.32Å; L314-F334 HydrophobicContact CD1-CZ 3.73Å; G332-F334 VanDerWaalsContact C-CE2 3.42Å; G332-F334 VanDerWaalsContact O-CD2 3.22Å; G332-F334 WeakPolarHBondContact O-CD2 3.07Å; G332-F334 VanDerWaalsContact O-CE2 3.26Å; G332-F334 WeakPolarHBondContact O-CE2 3.37Å; F334-Y344 CarbonylContact O-C 3.49Å; F334-Y344 WeakPolarHBondContact O-CA 3.3Å; F334-A345 PolarHBondContact N-O 2.81Å; F334-A345 PolarHBondContact O-N 3.39Å; F334-C347 HydrophobicContact CD2-CB 4.33Å; F334-C347 HydrophobicContact CE2-CB 3.87Å; F334-Y349 HydrophobicContact CE2-CE2 4.04Å; F334-Y349 AromaticContact CZ-CE2 3.96Å; F334-Y349 HydrophobicContact CZ-CE2 3.96Å; F334-Y349 VanDerWaalsContact CZ-OH 3.25Å; F334-Y349 WeakPolarHBondContact CZ-OH 3.36Å
335	S	95.4	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	161.3	168.2	82.8	0	0	0	0	111.2	F311 D312 D313 E315 G343 Y344	F311-S335 CarbonylContact C-O 3.55Å; D312-S335 PolarHBondContact N-O 2.79Å; D313-S335 PolarHBondContact N-O 2.8Å; D313-S335 VanDerWaalsContact N-O 3.11Å; D313-S335 PolarHBondContact O-N 2.84Å; E315-S335 VanDerWaalsContact OE1-CB 3.3Å; E315-S335 WeakPolarHBondContact OE1-CB 3.42Å; E315-S335 PolarHBondContact OE1-OG 3.31Å; S335-G343 CarbonylContact C-O 3.59Å; S335-G343 VanDerWaalsContact CA-O 3.25Å; S335-G343 WeakPolarHBondContact CA-O 3.22Å; S335-Y344 VanDerWaalsContact CB-CE1 3.43Å
336	T	92.9	Very high	91.8	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.043	18%	0.178	C	C	.	.			trans	-72.1	146.4	171.4	51.8	0	0	0	0	110.8	F311 S338 F341 K342 G343	F311-T336 HydrophobicContact CD1-CG2 3.65Å; F311-T336 HydrophobicContact CE1-CG2 3.63Å; F311-T336 HydrophobicContact CG-CG2 4.41Å; F311-T336 HydrophobicContact CZ-CG2 4.37Å; T336-S338 VanDerWaalsContact C-N 3.3Å; T336-S338 PolarHBondContact O-N 2.86Å; T336-F341 HydrophobicContact CG2-CD1 4.1Å; T336-F341 HydrophobicContact CG2-CE1 4.17Å; T336-F341 PolarHBondContact OG1-O 2.82Å; T336-K342 PolarHBondContact O-NZ 2.94Å; T336-K342 WeakPolarHBondContact OG1-CA 3.26Å; T336-G343 PolarHBondContact N-O 3.15Å; T336-G343 PolarHBondContact OG1-N 2.9Å
337	T	88.3	Confident	92	Very high	68 Å²	68	28.2 Å²	28.2	42%	0.417	17%	0.168	S	C	.	.	S	Bend	trans	-77.1	-17.6	177.7	55	0	0	0	0	112.8	I267 D312 D313	I267-T337 HydrophobicContact CB-CG2 3.83Å; I267-T337 HydrophobicContact CD1-CG2 4.38Å; D312-T337 HydrophobicContact CB-CG2 4.07Å; D313-T337 HydrophobicContact CB-CG2 4.28Å
338	S	82.4	Confident	92.2	Very high	48 Å²	48	26.7 Å²	26.7	34%	0.336	16%	0.159	S	C	.	.			trans	-65.6	133.4	178.6	179.4	0	0	0	0	111.8	T336 V340 F341	T336-S338 VanDerWaalsContact C-N 3.3Å; T336-S338 PolarHBondContact O-N 2.86Å; S338-V340 VanDerWaalsContact C-N 3.31Å; S338-V340 PolarHBondContact OG-N 2.91Å; S338-F341 PolarHBondContact OG-N 2.99Å
339	A	73.5	Confident	92.2	Very high	98 Å²	98	26.6 Å²	26.6	81%	0.81	16%	0.159	S	C	*	.	S	Bend	trans	-74.9	-23.4	172.1	0	0	0	0	0	112.6
340	V	74.8	Confident	92.2	Very high	143 Å²	143	28.2 Å²	28.2	87%	0.867	17%	0.166	S	C	*	.	S	Bend	trans	-89	-40.2	-175.9	-177.1	0	0	0	0	111.2	S338	S338-V340 VanDerWaalsContact C-N 3.31Å; S338-V340 PolarHBondContact OG-N 2.91Å
341	F	77.5	Confident	92.1	Very high	82 Å²	82	28.2 Å²	28.2	36%	0.36	17%	0.166	S	C	.	.			trans	-115.4	106.6	178.5	-179.7	-96.3	0	0	0	109.2	T336 S338 S432	T336-F341 HydrophobicContact CG2-CD1 4.1Å; T336-F341 HydrophobicContact CG2-CE1 4.17Å; T336-F341 PolarHBondContact OG1-O 2.82Å; S338-F341 PolarHBondContact OG-N 2.99Å; F341-S432 WeakPolarHBondContact CE2-O 3.48Å; F341-S432 WeakPolarHBondContact CZ-O 3.34Å
342	K	84.9	Confident	92	Very high	80 Å²	80	34.6 Å²	34.6	35%	0.348	20%	0.196	S	C	.	.			trans	-99.2	104	172.8	-81.1	-69.5	-179.1	-174.4	0	110	T336	T336-K342 PolarHBondContact O-NZ 2.94Å; T336-K342 WeakPolarHBondContact OG1-CA 3.26Å
343	G	92.2	Very high	92	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.			trans	-115.1	159.2	169.7	0	0	0	0	0	110.6	S335 T336 Q431	S335-G343 CarbonylContact C-O 3.59Å; S335-G343 VanDerWaalsContact CA-O 3.25Å; S335-G343 WeakPolarHBondContact CA-O 3.22Å; T336-G343 PolarHBondContact N-O 3.15Å; T336-G343 PolarHBondContact OG1-N 2.9Å; G343-Q431 CarbonylContact C-O 3.58Å; G343-Q431 VanDerWaalsContact CA-O 3.24Å; G343-Q431 WeakPolarHBondContact CA-O 3.41Å
344	Y	95.7	Very high	92	Very high	9 Å²	9	38 Å²	38	4%	0.035	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.2	177.7	-64.5	-94.6	0	0	0	111.5	E315 F334 S335 Q431 K438 L439	E315-Y344 HydrophobicContact CG-CE1 4.21Å; F334-Y344 CarbonylContact O-C 3.49Å; F334-Y344 WeakPolarHBondContact O-CA 3.3Å; S335-Y344 VanDerWaalsContact CB-CE1 3.43Å; Y344-Q431 PolarHBondContact N-O 3.31Å; Y344-Q431 PolarHBondContact O-N 2.68Å; Y344-K438 HydrophobicContact CE2-CB 4.14Å; Y344-K438 HydrophobicContact CE2-CG 4.29Å; Y344-K438 WeakPolarHBondContact OH-CB 3.3Å; Y344-K438 WeakPolarHBondContact OH-CG 3.46Å; Y344-L439 HydrophobicContact CD1-CB 3.72Å; Y344-L439 HydrophobicContact CD1-CG 4.16Å; Y344-L439 HydrophobicContact CD2-CG 4.2Å; Y344-L439 HydrophobicContact CE1-CB 4.15Å; Y344-L439 WeakPolarHBondContact CE1-O 3.49Å; Y344-L439 HydrophobicContact CG-CB 3.96Å; Y344-L439 HydrophobicContact CG-CD1 4.05Å; Y344-L439 HydrophobicContact CG-CG 3.85Å
345	A	96.5	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.5	175.9	0	0	0	0	0	110.7	F311 F334 P427 L429 L430	F311-A345 HydrophobicContact CB-CB 4.19Å; F311-A345 HydrophobicContact CD1-CB 3.75Å; F311-A345 HydrophobicContact CD2-CB 3.76Å; F311-A345 HydrophobicContact CE1-CB 4.05Å; F311-A345 HydrophobicContact CE2-CB 4.08Å; F311-A345 HydrophobicContact CG-CB 3.62Å; F311-A345 HydrophobicContact CZ-CB 4.23Å; F334-A345 PolarHBondContact N-O 2.81Å; F334-A345 PolarHBondContact O-N 3.39Å; A345-P427 HydrophobicContact CB-CB 4.05Å; A345-P427 HydrophobicContact CB-CG 4.13Å; A345-L429 CarbonylContact C-O 3.25Å; A345-L429 VanDerWaalsContact CA-O 3.26Å; A345-L429 WeakPolarHBondContact CA-O 3.43Å; A345-L430 HydrophobicContact CB-CD1 4.31Å
346	V	98.1	Very high	92	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.3	168.1	-177.2	0	0	0	0	108.4	F331 G332 L333 P427 I428 L429 I442 L457 I459	F331-V346 HydrophobicContact CD1-CG1 4.4Å; G332-V346 WeakPolarHBondContact O-CA 3.42Å; L333-V346 HydrophobicContact CD1-CG2 3.83Å; V346-P427 CarbonylContact O-C 3.52Å; V346-P427 WeakPolarHBondContact O-CA 3.38Å; V346-P427 WeakPolarHBondContact O-CB 3.19Å; V346-I428 HydrophobicContact CB-CG1 4.1Å; V346-I428 HydrophobicContact CG1-CD1 3.98Å; V346-I428 HydrophobicContact CG1-CG1 3.92Å; V346-I428 VanDerWaalsContact O-CG1 3.28Å; V346-I428 WeakPolarHBondContact O-CG1 3.12Å; V346-I428 PolarHBondContact O-N 2.85Å; V346-L429 HydrophobicContact CB-CB 3.96Å; V346-L429 HydrophobicContact CG2-CB 4.07Å; V346-L429 HydrophobicContact CG2-CD2 4.2Å; V346-L429 PolarHBondContact N-O 2.88Å; V346-L429 PolarHBondContact O-N 3.11Å; V346-I442 HydrophobicContact CG1-CD1 3.63Å; V346-I442 HydrophobicContact CG2-CD1 4.08Å; V346-L457 HydrophobicContact CB-CD2 4.49Å; V346-L457 HydrophobicContact CG1-CD2 4.07Å; V346-I459 HydrophobicContact CG2-CD1 4.17Å
347	C	98.2	Very high	92.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.6	175.2	-81.9	0	0	0	0	110.3	C299 F331 G332 F334 Y349 P422	C299-C347 VanDerWaalsContact CA-SG 3.51Å; C299-C347 HydrophobicContact CB-CB 3.85Å; C299-C347 WeakPolarHBondContact CB-SG 3.1Å; C299-C347 WeakPolarHBondContact SG-CB 3.07Å; C299-C347 CovalentContact SG-SG 2.05Å; C299-C347 PolarHBondContact SG-SG 2.86Å; F331-C347 WeakPolarHBondContact CA-O 3.23Å; G332-C347 PolarHBondContact N-O 3.49Å; G332-C347 PolarHBondContact O-N 2.74Å; F334-C347 HydrophobicContact CD2-CB 4.33Å; F334-C347 HydrophobicContact CE2-CB 3.87Å; C347-Y349 HydrophobicContact CB-CE2 3.74Å; C347-Y349 WeakPolarHBondContact CB-OH 3.35Å; C347-P422 HydrophobicContact CB-CB 3.81Å
348	M	97.9	Very high	92.8	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.054	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.6	176	-172.1	-159.6	-44.2	0	0	109.2	E329 I330 F331 P422 H423 I428	E329-M348 HydrophobicContact CG-SD 4.4Å; I330-M348 CarbonylContact O-C 3.5Å; I330-M348 WeakPolarHBondContact O-CA 3.37Å; F331-M348 HydrophobicContact CD1-CB 4.21Å; F331-M348 HydrophobicContact CD1-CG 4.2Å; F331-M348 HydrophobicContact CE1-CB 4.08Å; F331-M348 HydrophobicContact CE1-CE 3.78Å; F331-M348 HydrophobicContact CE1-CG 3.82Å; F331-M348 HydrophobicContact CE1-SD 4.34Å; F331-M348 HydrophobicContact CE2-CG 4.14Å; F331-M348 HydrophobicContact CZ-CE 3.87Å; F331-M348 HydrophobicContact CZ-CG 3.77Å; F331-M348 HydrophobicContact CZ-SD 4.02Å; M348-P422 CarbonylContact O-C 3.55Å; M348-P422 WeakPolarHBondContact O-CA 3.09Å; M348-H423 HydrophobicContact CB-CB 4.46Å; M348-H423 PolarHBondContact O-N 2.9Å; M348-I428 HydrophobicContact CB-CD1 4.39Å; M348-I428 HydrophobicContact CB-CG2 4.46Å; M348-I428 HydrophobicContact CE-CD1 4.2Å; M348-I428 HydrophobicContact CE-CG2 4.25Å
349	Y	98.4	Very high	93.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.1	179.2	-50.7	-90.7	0	0	0	110.4	L297 I298 I330 F334 C347 V420 L421 P422	L297-Y349 HydrophobicContact CD1-CD1 3.52Å; L297-Y349 HydrophobicContact CD1-CD2 3.95Å; L297-Y349 HydrophobicContact CD1-CE1 3.39Å; L297-Y349 HydrophobicContact CD1-CE2 3.86Å; L297-Y349 HydrophobicContact CD1-CG 3.79Å; L297-Y349 HydrophobicContact CD2-CD2 4.31Å; L297-Y349 HydrophobicContact CD2-CE2 3.84Å; L297-Y349 HydrophobicContact CG-CD1 4.41Å; L297-Y349 HydrophobicContact CG-CD2 4.39Å; L297-Y349 HydrophobicContact CG-CE1 3.85Å; L297-Y349 HydrophobicContact CG-CE2 3.84Å; I298-Y349 WeakPolarHBondContact O-CE1 3.33Å; I298-Y349 PolarHBondContact O-OH 3.3Å; I330-Y349 PolarHBondContact N-O 3.46Å; I330-Y349 PolarHBondContact O-N 3.46Å; F334-Y349 HydrophobicContact CE2-CE2 4.04Å; F334-Y349 AromaticContact CZ-CE2 3.96Å; F334-Y349 HydrophobicContact CZ-CE2 3.96Å; F334-Y349 VanDerWaalsContact CZ-OH 3.25Å; F334-Y349 WeakPolarHBondContact CZ-OH 3.36Å; C347-Y349 HydrophobicContact CB-CE2 3.74Å; C347-Y349 WeakPolarHBondContact CB-OH 3.35Å; Y349-V420 HydrophobicContact CD1-CG1 3.78Å; Y349-V420 HydrophobicContact CE1-CG1 4.46Å; Y349-V420 HydrophobicContact CG-CG1 4.47Å; Y349-L421 WeakPolarHBondContact CD1-O 3.47Å; Y349-P422 HydrophobicContact CD1-CB 4.15Å; Y349-P422 HydrophobicContact CE1-CB 3.7Å; Y349-P422 HydrophobicContact CE1-CG 4.47Å
350	H	97.1	Very high	94.5	Very high	44 Å²	44	36.4 Å²	36.4	20%	0.204	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	144	171.2	-69.3	-46.1	0	0	0	111	E329 E352 D353 I354 H423	E329-H350 IonicContact OE1-CE1 3.74Å; H350-E352 PolarHBondContact O-N 3.33Å; H350-D353 PolarHBondContact O-N 3.35Å; H350-I354 PolarHBondContact O-N 3.1Å; H350-H423 AromaticContact CD2-CE1 3.9Å; H350-H423 AromaticContact CD2-ND1 3.44Å; H350-H423 PolarHBondContact CD2-ND1 3.38Å; H350-H423 AromaticContact NE2-CE1 3.39Å; H350-H423 PolarHBondContact NE2-CE1 2.05Å; H350-H423 AromaticContact NE2-CG 3.8Å; H350-H423 AromaticContact NE2-ND1 3.26Å; H350-H423 PolarHBondContact NE2-ND1 3.42Å; H350-H423 AromaticContact NE2-NE2 3.97Å
351	M	96.8	Very high	95.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-23.9	177	-77.5	-55.7	-58	0	0	113.4	I238 Y250 P328 I330 I354 R355	I238-M351 HydrophobicContact CD1-CE 4.18Å; I238-M351 HydrophobicContact CD1-SD 3.87Å; I238-M351 HydrophobicContact CG2-CE 4.08Å; Y250-M351 HydrophobicContact CD2-CE 4.46Å; Y250-M351 HydrophobicContact CE1-CE 3.95Å; Y250-M351 HydrophobicContact CE2-CE 3.83Å; P328-M351 HydrophobicContact CG-CG 3.64Å; P328-M351 HydrophobicContact CG-SD 4.42Å; I330-M351 HydrophobicContact CD1-SD 4.14Å; I330-M351 HydrophobicContact CG1-SD 3.97Å; M351-I354 HydrophobicContact CE-CB 4.4Å; M351-I354 HydrophobicContact CE-CG2 4.1Å; M351-I354 PolarHBondContact O-N 3.42Å; M351-I354 HydrophobicContact SD-CB 4.41Å; M351-I354 HydrophobicContact SD-CD1 3.6Å; M351-I354 VanDerWaalsContact SD-CD1 3.6Å; M351-I354 HydrophobicContact SD-CG2 4.49Å; M351-R355 WeakPolarHBondContact O-CB 3.44Å; M351-R355 VanDerWaalsContact O-CG 3.26Å; M351-R355 WeakPolarHBondContact O-CG 3.39Å; M351-R355 PolarHBondContact O-N 2.74Å
352	E	96.4	Very high	96.6	Very high	134 Å²	134	27.6 Å²	27.6	63%	0.626	15%	0.145	S	C	*	.	H	α-helix	trans	-61.7	-46.5	174.2	-65.8	178.9	-177.1	0	0	111.7	H350 R355 A356	H350-E352 PolarHBondContact O-N 3.33Å; E352-R355 PolarHBondContact O-N 3.24Å; E352-A356 WeakPolarHBondContact O-CB 2.98Å; E352-A356 PolarHBondContact O-N 3Å
353	D	97.9	Very high	97.1	Very high	72 Å²	72	24 Å²	24	39%	0.385	13%	0.13	S	C	.	.	H	α-helix	trans	-66.7	-39.3	178.2	-59.8	-47.5	0	0	0	111.7	H350 A356 A357 V420	H350-D353 PolarHBondContact O-N 3.35Å; D353-A356 PolarHBondContact O-N 2.99Å; D353-A357 PolarHBondContact O-N 3.37Å; D353-V420 HydrophobicContact CB-CG1 4.42Å
354	I	98.3	Very high	97	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-48.5	175.2	-69.4	167.7	0	0	0	110.3	Y250 I271 I330 H350 M351 A356 A357 F358 V420	Y250-I354 HydrophobicContact CD1-CG2 4.43Å; Y250-I354 HydrophobicContact CE1-CG2 3.87Å; I271-I354 HydrophobicContact CD1-CD1 3.89Å; I271-I354 HydrophobicContact CD1-CG1 4.3Å; I271-I354 HydrophobicContact CD1-CG2 3.81Å; I330-I354 HydrophobicContact CG1-CD1 3.96Å; H350-I354 PolarHBondContact O-N 3.1Å; M351-I354 HydrophobicContact CE-CB 4.4Å; M351-I354 HydrophobicContact CE-CG2 4.1Å; M351-I354 PolarHBondContact O-N 3.42Å; M351-I354 HydrophobicContact SD-CB 4.41Å; M351-I354 HydrophobicContact SD-CD1 3.6Å; M351-I354 VanDerWaalsContact SD-CD1 3.6Å; M351-I354 HydrophobicContact SD-CG2 4.49Å; I354-A356 VanDerWaalsContact C-N 3.35Å; I354-A356 PolarHBondContact O-N 3.43Å; I354-A357 PolarHBondContact O-N 2.73Å; I354-F358 HydrophobicContact CG2-CD2 3.85Å; I354-F358 HydrophobicContact CG2-CE2 3.67Å; I354-F358 WeakPolarHBondContact O-CD2 3.34Å; I354-F358 PolarHBondContact O-N 2.8Å; I354-F358 VanDerWaalsContact O-N 3.15Å; I354-V420 HydrophobicContact CG1-CG1 3.75Å; I354-V420 HydrophobicContact CG1-CG2 4.18Å
355	R	97.2	Very high	96.5	Very high	34 Å²	34	30 Å²	30	13%	0.128	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-41.1	176.8	-72.4	171.8	-174.1	133	3.3	111.8	P239 D240 K326 N327 M351 E352 A357 F358 N359	P239-R355 PolarHBondContact O-NH2 2.79Å; D240-R355 IonicContact OD1-CZ 2.75Å; D240-R355 IonicContact OD1-NE 2.72Å; D240-R355 PolarHBondContact OD1-NE 3Å; D240-R355 IonicContact OD1-NH2 3.47Å; D240-R355 PolarHBondContact OD1-NH2 2.86Å; K326-R355 PolarHBondContact O-NH2 2.92Å; N327-R355 PolarHBondContact OD1-NH1 2.84Å; M351-R355 WeakPolarHBondContact O-CB 3.44Å; M351-R355 VanDerWaalsContact O-CG 3.26Å; M351-R355 WeakPolarHBondContact O-CG 3.39Å; M351-R355 PolarHBondContact O-N 2.74Å; E352-R355 PolarHBondContact O-N 3.24Å; R355-A357 VanDerWaalsContact C-N 3.28Å; R355-A357 PolarHBondContact O-N 2.64Å; R355-F358 PolarHBondContact O-N 3.25Å; R355-N359 VanDerWaalsContact O-CB 3.31Å; R355-N359 WeakPolarHBondContact O-CB 3.25Å; R355-N359 VanDerWaalsContact O-CG 3.25Å; R355-N359 PolarHBondContact O-N 2.91Å; R355-N359 PolarHBondContact O-ND2 2.96Å
356	A	97.8	Very high	95.7	Very high	53 Å²	53	36.6 Å²	36.6	44%	0.438	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-39	177.3	0	0	0	0	0	111.8	E352 D353 I354 N359 G360	E352-A356 WeakPolarHBondContact O-CB 2.98Å; E352-A356 PolarHBondContact O-N 3Å; D353-A356 PolarHBondContact O-N 2.99Å; I354-A356 VanDerWaalsContact C-N 3.35Å; I354-A356 PolarHBondContact O-N 3.43Å; A356-N359 CarbonylContact O-C 3.29Å; A356-N359 PolarHBondContact O-N 3.3Å; A356-G360 PolarHBondContact O-N 2.04Å
357	A	98.1	Very high	94.7	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-46.9	174.7	0	0	0	0	0	112.2	T295 D353 I354 R355 N359 G360 V420	T295-A357 HydrophobicContact CG2-CB 4.15Å; D353-A357 PolarHBondContact O-N 3.37Å; I354-A357 PolarHBondContact O-N 2.73Å; R355-A357 VanDerWaalsContact C-N 3.28Å; R355-A357 PolarHBondContact O-N 2.64Å; A357-N359 VanDerWaalsContact C-N 3.3Å; A357-N359 PolarHBondContact O-N 3.44Å; A357-G360 WeakPolarHBondContact O-CA 3.03Å; A357-G360 PolarHBondContact O-N 3.28Å; A357-V420 HydrophobicContact CB-CG2 3.61Å
358	F	98.1	Very high	93.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-24.9	177.3	-73.1	-67	0	0	0	114.3	Y250 I271 R273 L293 T295 I354 R355 G360 M416	Y250-F358 HydrophobicContact CD1-CE2 4.3Å; Y250-F358 HydrophobicContact CE1-CD2 4.33Å; Y250-F358 AromaticContact CE1-CE2 3.85Å; Y250-F358 HydrophobicContact CE1-CE2 3.85Å; I271-F358 HydrophobicContact CG2-CE2 4.4Å; I271-F358 HydrophobicContact CG2-CZ 4.32Å; I271-F358 WeakPolarHBondContact O-CZ 3.17Å; R273-F358 HydrophobicContact CB-CE1 4.43Å; R273-F358 HydrophobicContact CB-CE2 4.29Å; R273-F358 HydrophobicContact CB-CZ 4.02Å; R273-F358 HydrophobicContact CG-CD1 4.03Å; R273-F358 HydrophobicContact CG-CD2 4.38Å; R273-F358 HydrophobicContact CG-CE1 3.77Å; R273-F358 HydrophobicContact CG-CE2 4.14Å; R273-F358 HydrophobicContact CG-CG 4.33Å; R273-F358 HydrophobicContact CG-CZ 3.82Å; L293-F358 HydrophobicContact CB-CD1 3.98Å; L293-F358 HydrophobicContact CB-CE1 3.97Å; T295-F358 HydrophobicContact CG2-CE1 4.3Å; T295-F358 HydrophobicContact CG2-CE2 4.37Å; T295-F358 HydrophobicContact CG2-CZ 4.11Å; I354-F358 HydrophobicContact CG2-CD2 3.85Å; I354-F358 HydrophobicContact CG2-CE2 3.67Å; I354-F358 WeakPolarHBondContact O-CD2 3.34Å; I354-F358 PolarHBondContact O-N 2.8Å; I354-F358 VanDerWaalsContact O-N 3.15Å; R355-F358 PolarHBondContact O-N 3.25Å; F358-G360 VanDerWaalsContact C-N 3.29Å; F358-M416 HydrophobicContact CD1-CG 3.81Å; F358-M416 HydrophobicContact CD1-SD 4.46Å; F358-M416 HydrophobicContact CE1-CG 4.35Å; F358-M416 VanDerWaalsContact O-CE 3.24Å; F358-M416 WeakPolarHBondContact O-CE 3.38Å
359	N	96.5	Very high	92.2	Very high	93 Å²	93	51.7 Å²	51.7	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.1	171.3	-65.8	-21.3	0	0	0	112.2	R355 A356 A357 R383	R355-N359 VanDerWaalsContact O-CB 3.31Å; R355-N359 WeakPolarHBondContact O-CB 3.25Å; R355-N359 VanDerWaalsContact O-CG 3.25Å; R355-N359 PolarHBondContact O-N 2.91Å; R355-N359 PolarHBondContact O-ND2 2.96Å; A356-N359 CarbonylContact O-C 3.29Å; A356-N359 PolarHBondContact O-N 3.3Å; A357-N359 VanDerWaalsContact C-N 3.3Å; A357-N359 PolarHBondContact O-N 3.44Å; N359-R383 VanDerWaalsContact O-CZ 3.24Å; N359-R383 PolarHBondContact O-NH1 3.34Å; N359-R383 PolarHBondContact O-NH2 2.92Å
360	G	96.9	Very high	91.3	Very high	4 Å²	4	55.3 Å²	55.3	4%	0.041	27%	0.272	C	S	.	.	S	Bend	trans	-81.6	-175.5	176.6	0	0	0	0	0	114.1	A356 A357 F358 R383 M416	A356-G360 PolarHBondContact O-N 2.04Å; A357-G360 WeakPolarHBondContact O-CA 3.03Å; A357-G360 PolarHBondContact O-N 3.28Å; F358-G360 VanDerWaalsContact C-N 3.29Å; G360-R383 PolarHBondContact O-NH2 2.87Å; G360-M416 WeakPolarHBondContact O-CE 3.41Å
361	P	97.8	Very high	90.5	Very high	36 Å²	36	59.9 Å²	59.9	23%	0.234	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-64.7	145.7	179.2	24.3	-31.4	0	0	0	112.3	P374 Y417 R418	P361-P374 HydrophobicContact CB-CB 4.06Å; P361-P374 HydrophobicContact CG-CB 4.27Å; P361-Y417 HydrophobicContact CG-CD1 4.18Å; P361-Y417 WeakPolarHBondContact O-CB 3.2Å; P361-Y417 PolarHBondContact O-N 3.28Å; P361-R418 HydrophobicContact CG-CG 4.28Å
362	F	98.1	Very high	90.1	Very high	3 Å²	3	62.8 Å²	62.8	1%	0.013	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-70.3	149.4	169.3	-63.9	-86.3	0	0	0	110	L293 Y375 V379 P384 F409 H413 M416	L293-F362 HydrophobicContact CD1-CE1 4.07Å; L293-F362 HydrophobicContact CD2-CD1 4.3Å; L293-F362 HydrophobicContact CD2-CE1 3.71Å; F362-Y375 WeakPolarHBondContact O-CB 3.01Å; F362-Y375 PolarHBondContact O-N 2.88Å; F362-V379 HydrophobicContact CD2-CG2 4.23Å; F362-V379 HydrophobicContact CE2-CG1 3.92Å; F362-V379 HydrophobicContact CE2-CG2 4.29Å; F362-P384 HydrophobicContact CE1-CB 4.38Å; F362-P384 HydrophobicContact CZ-CB 3.95Å; F362-P384 HydrophobicContact CZ-CG 4.49Å; F362-F409 HydrophobicContact CB-CE1 4.32Å; F362-F409 HydrophobicContact CB-CZ 4.47Å; F362-F409 AromaticContact CD1-CE1 3.98Å; F362-F409 HydrophobicContact CD1-CE1 3.98Å; F362-F409 AromaticContact CD2-CE1 3.61Å; F362-F409 HydrophobicContact CD2-CE1 3.61Å; F362-F409 AromaticContact CD2-CZ 3.89Å; F362-F409 HydrophobicContact CD2-CZ 3.89Å; F362-F409 HydrophobicContact CE1-CE1 4.17Å; F362-F409 AromaticContact CE2-CE1 3.83Å; F362-F409 HydrophobicContact CE2-CE1 3.83Å; F362-F409 HydrophobicContact CE2-CZ 4.36Å; F362-F409 AromaticContact CG-CE1 3.7Å; F362-F409 HydrophobicContact CG-CE1 3.7Å; F362-F409 HydrophobicContact CG-CZ 4.17Å; F362-F409 HydrophobicContact CZ-CE1 4.1Å; F362-H413 HydrophobicContact CB-CB 4.33Å; F362-H413 HydrophobicContact CD1-CB 4.25Å; F362-H413 HydrophobicContact CG-CB 4.49Å; F362-M416 HydrophobicContact CD1-CE 4.07Å; F362-M416 HydrophobicContact CD1-SD 3.81Å; F362-M416 HydrophobicContact CE1-CE 4.17Å; F362-M416 HydrophobicContact CE1-SD 3.89Å; F362-M416 HydrophobicContact CG-CE 4.41Å
363	A	94.9	Very high	89.9	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.033	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.8	173.6	0	0	0	0	0	110.1	W372 V415	A363-W372 HydrophobicContact CB-CD2 4.25Å; A363-W372 HydrophobicContact CB-CE3 3.46Å; A363-W372 VanDerWaalsContact CB-CE3 3.46Å; A363-W372 HydrophobicContact CB-CZ3 3.75Å; A363-V415 HydrophobicContact CB-CB 4.14Å; A363-V415 HydrophobicContact CB-CG1 4.04Å; A363-V415 WeakPolarHBondContact CB-O 3.32Å; A363-V415 PolarHBondContact N-O 3.3Å
364	Y	91.3	Very high	89.8	Confident	90 Å²	90	57.1 Å²	57.1	35%	0.353	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.6	180	177.4	-105	0	0	0	111	E366 T373 Y375 H413	Y364-E366 HydrophobicContact CE1-CB 4.44Å; Y364-T373 PolarHBondContact N-O 2.87Å; Y364-T373 PolarHBondContact O-N 3.47Å; Y364-T373 PolarHBondContact O-OG1 2.58Å; Y364-Y375 AromaticContact CD2-CD2 3.89Å; Y364-Y375 HydrophobicContact CD2-CD2 3.89Å; Y364-Y375 HydrophobicContact CD2-CE2 4.38Å; Y364-Y375 HydrophobicContact CG-CD2 4.01Å; Y364-H413 AromaticContact CD2-NE2 3.68Å
365	R	85.2	Confident	89.7	Confident	46 Å²	46	60 Å²	60	17%	0.174	29%	0.293	C	S	.	.			trans	-147	133.2	165.7	62.4	179.6	172.6	176.2	-7.3	108.3	L368 H370 W372	R365-L368 PolarHBondContact NH1-O 2.79Å; R365-H370 HydrophobicContact CB-CB 4.37Å; R365-W372 HydrophobicContact CB-CE3 4.25Å; R365-W372 HydrophobicContact CG-CD2 4.38Å; R365-W372 HydrophobicContact CG-CE3 4.01Å; R365-W372 HydrophobicContact CG-CH2 4.21Å; R365-W372 HydrophobicContact CG-CZ3 3.94Å; R365-W372 VanDerWaalsContact CZ-CZ2 3.46Å; R365-W372 VanDerWaalsContact NE-CZ2 3.33Å
366	E	78.2	Confident	89.5	Confident	138 Å²	138	67 Å²	67	65%	0.645	33%	0.327	S	S	*	.	S	Bend	trans	-73.5	-37.6	-178.8	-174.4	-178.3	-162.8	0	0	111.9	Y364 H370	Y364-E366 HydrophobicContact CE1-CB 4.44Å; E366-H370 IonicContact OE2-CE1 3.8Å; E366-H370 IonicContact OE2-ND1 3.99Å
367	K	77.3	Confident	89.3	Confident	122 Å²	122	66.3 Å²	66.3	53%	0.53	33%	0.325	S	S	.	.	S	Bend	trans	-127.9	158.8	174.8	-63.8	-179.1	-177.3	175.5	0	109.8	E369 H370	K367-E369 PolarHBondContact O-N 2.9Å; K367-H370 PolarHBondContact O-N 2.77Å; K367-H370 VanDerWaalsContact O-N 3.12Å
368	L	72.6	Confident	89.2	Confident	91 Å²	91	76 Å²	76	48%	0.476	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.2	178.1	-77.9	128.5	0	0	0	112.8	R365 H370	R365-L368 PolarHBondContact NH1-O 2.79Å; L368-H370 VanDerWaalsContact C-N 3.33Å
369	E	71.9	Confident	89.1	Confident	116 Å²	116	78.8 Å²	78.8	54%	0.542	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.1	177.7	-59.3	167.4	-163.3	0	0	113.2	K367	K367-E369 PolarHBondContact O-N 2.9Å
370	H	79	Confident	89.2	Confident	76 Å²	76	74.7 Å²	74.7	35%	0.352	36%	0.357	S	S	.	.	S	Bend	trans	-74.8	148	-179.8	-67.7	178.3	0	0	0	110.9	R365 E366 K367 L368	R365-H370 HydrophobicContact CB-CB 4.37Å; E366-H370 IonicContact OE2-CE1 3.8Å; E366-H370 IonicContact OE2-ND1 3.99Å; K367-H370 PolarHBondContact O-N 2.77Å; K367-H370 VanDerWaalsContact O-N 3.12Å; L368-H370 VanDerWaalsContact C-N 3.33Å
371	H	81	Confident	89	Confident	139 Å²	139	81.9 Å²	81.9	64%	0.644	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-68.9	152	173.5	72.8	84.3	0	0	0	111.1	T373	H371-T373 WeakPolarHBondContact CE1-CG2 3.4Å; H371-T373 PolarHBondContact O-N 3.3Å
372	W	86.8	Confident	88.9	Confident	63 Å²	63	80.3 Å²	80.3	24%	0.239	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-64.7	135.3	173	-67.8	104.6	0	0	0	110.7	A363 R365 V415	A363-W372 HydrophobicContact CB-CD2 4.25Å; A363-W372 HydrophobicContact CB-CE3 3.46Å; A363-W372 VanDerWaalsContact CB-CE3 3.46Å; A363-W372 HydrophobicContact CB-CZ3 3.75Å; R365-W372 HydrophobicContact CB-CE3 4.25Å; R365-W372 HydrophobicContact CG-CD2 4.38Å; R365-W372 HydrophobicContact CG-CE3 4.01Å; R365-W372 HydrophobicContact CG-CH2 4.21Å; R365-W372 HydrophobicContact CG-CZ3 3.94Å; R365-W372 VanDerWaalsContact CZ-CZ2 3.46Å; R365-W372 VanDerWaalsContact NE-CZ2 3.33Å; W372-V415 HydrophobicContact CH2-CB 4.43Å; W372-V415 HydrophobicContact CH2-CG2 4.31Å
373	T	92.8	Very high	88.8	Confident	43 Å²	43	84.1 Å²	84.1	26%	0.264	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.4	174.8	49.5	0	0	0	0	109.8	Y364 H371 Y417	Y364-T373 PolarHBondContact N-O 2.87Å; Y364-T373 PolarHBondContact O-N 3.47Å; Y364-T373 PolarHBondContact O-OG1 2.58Å; H371-T373 WeakPolarHBondContact CE1-CG2 3.4Å; H371-T373 PolarHBondContact O-N 3.3Å; T373-Y417 VanDerWaalsContact C-CD2 3.44Å
374	P	95.9	Very high	88.9	Confident	44 Å²	44	84 Å²	84	29%	0.286	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.1	167.7	29.1	-32.7	0	0	0	109.4	P361 E376 Y417	P361-P374 HydrophobicContact CB-CB 4.06Å; P361-P374 HydrophobicContact CG-CB 4.27Å; P374-E376 PolarHBondContact O-N 3.27Å; P374-Y417 HydrophobicContact CB-CD1 3.92Å; P374-Y417 HydrophobicContact CB-CE1 4.2Å; P374-Y417 HydrophobicContact CB-CG 4.08Å; P374-Y417 HydrophobicContact CG-CD1 4.5Å; P374-Y417 HydrophobicContact CG-CE1 4.28Å
375	Y	95.8	Very high	89.1	Confident	61 Å²	61	79.9 Å²	79.9	24%	0.239	37%	0.372	C	S	.	.			trans	-68.6	118.5	173.4	-177.8	-100.5	0	0	0	110.5	F362 Y364 G377 V379 F409 H413	F362-Y375 WeakPolarHBondContact O-CB 3.01Å; F362-Y375 PolarHBondContact O-N 2.88Å; Y364-Y375 AromaticContact CD2-CD2 3.89Å; Y364-Y375 HydrophobicContact CD2-CD2 3.89Å; Y364-Y375 HydrophobicContact CD2-CE2 4.38Å; Y364-Y375 HydrophobicContact CG-CD2 4.01Å; Y375-G377 VanDerWaalsContact CE1-O 3.24Å; Y375-G377 WeakPolarHBondContact CE1-O 3.02Å; Y375-G377 VanDerWaalsContact CZ-CA 3.5Å; Y375-V379 HydrophobicContact CD1-CG2 4.24Å; Y375-V379 HydrophobicContact CE1-CG2 4.35Å; Y375-F409 HydrophobicContact CD1-CE2 4.05Å; Y375-F409 AromaticContact CD1-CZ 3.81Å; Y375-F409 HydrophobicContact CD1-CZ 3.81Å; Y375-F409 AromaticContact CE1-CE2 3.47Å; Y375-F409 HydrophobicContact CE1-CE2 3.47Å; Y375-F409 VanDerWaalsContact CE1-CE2 3.47Å; Y375-F409 AromaticContact CE1-CZ 3.74Å; Y375-F409 HydrophobicContact CE1-CZ 3.74Å; Y375-F409 HydrophobicContact CE2-CE2 4.43Å; Y375-F409 HydrophobicContact CG-CZ 4.36Å; Y375-F409 AromaticContact CZ-CE2 3.7Å; Y375-H413 AromaticContact CD2-NE2 3.76Å; Y375-H413 AromaticContact CE2-NE2 3.86Å
376	E	94.2	Very high	89.6	Confident	181 Å²	181	78.6 Å²	78.6	85%	0.846	37%	0.37	S	S	*	.			trans	-98.9	-6.4	-178.5	-59.3	-169	157.5	0	0	113.7	P374	P374-E376 PolarHBondContact O-N 3.27Å
377	G	93.3	Very high	90.5	Very high	39 Å²	39	72.1 Å²	72.1	40%	0.402	34%	0.34	S	S	.	.	S	Bend	trans	-73.3	-179.9	179.6	0	0	0	0	0	113.7	Y375 V379	Y375-G377 VanDerWaalsContact CE1-O 3.24Å; Y375-G377 WeakPolarHBondContact CE1-O 3.02Å; Y375-G377 VanDerWaalsContact CZ-CA 3.5Å; G377-V379 PolarHBondContact O-N 3.46Å
378	R	95.4	Very high	91.3	Very high	206 Å²	206	66.7 Å²	66.7	78%	0.777	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-71.2	123	177.5	-175.9	-179.4	178	-178.8	-1.1	110.7
379	V	97.2	Very high	92.4	Very high	59 Å²	59	62.7 Å²	62.7	36%	0.358	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-84.9	127.6	170.5	-179.8	0	0	0	0	109.2	F362 Y375 G377 R383 P384 F409	F362-V379 HydrophobicContact CD2-CG2 4.23Å; F362-V379 HydrophobicContact CE2-CG1 3.92Å; F362-V379 HydrophobicContact CE2-CG2 4.29Å; Y375-V379 HydrophobicContact CD1-CG2 4.24Å; Y375-V379 HydrophobicContact CE1-CG2 4.35Å; G377-V379 PolarHBondContact O-N 3.46Å; V379-R383 HydrophobicContact CG1-CG 4.36Å; V379-P384 HydrophobicContact CG1-CG 4.31Å; V379-F409 HydrophobicContact CG2-CZ 4.28Å
380	P	96.9	Very high	93.3	Very high	7 Å²	7	65 Å²	65	5%	0.045	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-72.7	166.4	-178.5	30.6	-36.1	0	0	0	112.6	P382 P384 E405 V406 F409	P380-P382 CarbonylContact O-C 3.53Å; P380-P384 HydrophobicContact CG-CG 3.78Å; P380-P384 WeakPolarHBondContact O-CD 3.38Å; P380-E405 HydrophobicContact CB-CB 4.43Å; P380-E405 HydrophobicContact CB-CG 3.93Å; P380-E405 HydrophobicContact CG-CG 4.35Å; P380-V406 HydrophobicContact CB-CG2 3.85Å; P380-V406 HydrophobicContact CG-CG2 4.05Å; P380-F409 HydrophobicContact CG-CB 3.82Å; P380-F409 HydrophobicContact CG-CD2 4.1Å; P380-F409 HydrophobicContact CG-CG 4.04Å
381	Y	94.4	Very high	93.7	Very high	155 Å²	155	65.4 Å²	65.4	61%	0.608	31%	0.313	S	S	*	.	S	Bend	trans	-114.7	138.8	178.2	-175	-89.9	0	0	0	111.5	N392 F396 V406	Y381-N392 PolarHBondContact OH-O 3.3Å; Y381-N392 VanDerWaalsContact OH-O 3.13Å; Y381-F396 HydrophobicContact CE1-CE2 4.38Å; Y381-V406 WeakPolarHBondContact O-CG2 3.41Å
382	P	95.2	Very high	93.8	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.019	29%	0.294	C	S	.	.	S	Bend	cis	-63.1	156.9	-5.7	28.7	-34.8	0	0	0	110.7	P380 P384 F396 F402 V406	P380-P382 CarbonylContact O-C 3.53Å; P382-P384 WeakPolarHBondContact O-CD 3.42Å; P382-F396 HydrophobicContact CB-CE2 4.39Å; P382-F396 VanDerWaalsContact CD-CE2 3.45Å; P382-F396 HydrophobicContact CG-CD2 4.01Å; P382-F396 HydrophobicContact CG-CE2 3.79Å; P382-F396 HydrophobicContact CG-CZ 4.5Å; P382-F402 HydrophobicContact CG-CD1 3.79Å; P382-F402 HydrophobicContact CG-CE1 3.77Å; P382-F402 HydrophobicContact CG-CG 4.4Å; P382-F402 HydrophobicContact CG-CZ 4.37Å; P382-V406 WeakPolarHBondContact O-CG1 3.2Å; P382-V406 WeakPolarHBondContact O-CG2 3.36Å
383	R	96.3	Very high	93.4	Very high	83 Å²	83	60.9 Å²	60.9	31%	0.313	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-57.4	126.4	-175.5	176.9	179.2	178.1	154	4.9	109.5	N359 G360 V379 G385 S386	N359-R383 VanDerWaalsContact O-CZ 3.24Å; N359-R383 PolarHBondContact O-NH1 3.34Å; N359-R383 PolarHBondContact O-NH2 2.92Å; G360-R383 PolarHBondContact O-NH2 2.87Å; V379-R383 HydrophobicContact CG1-CG 4.36Å; R383-G385 PolarHBondContact O-N 3.29Å; R383-S386 WeakPolarHBondContact O-CB 3.46Å; R383-S386 PolarHBondContact O-N 3.49Å; R383-S386 PolarHBondContact O-OG 2.97Å
384	P	97.3	Very high	92.9	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.013	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	131.9	176.9	-30.8	36.5	0	0	0	112.1	F362 V379 P380 P382 V406 F409 V410	F362-P384 HydrophobicContact CE1-CB 4.38Å; F362-P384 HydrophobicContact CZ-CB 3.95Å; F362-P384 HydrophobicContact CZ-CG 4.49Å; V379-P384 HydrophobicContact CG1-CG 4.31Å; P380-P384 HydrophobicContact CG-CG 3.78Å; P380-P384 WeakPolarHBondContact O-CD 3.38Å; P382-P384 WeakPolarHBondContact O-CD 3.42Å; P384-V406 HydrophobicContact CB-CG1 4.47Å; P384-V406 HydrophobicContact CG-CG1 4.16Å; P384-F409 HydrophobicContact CB-CD1 3.74Å; P384-F409 HydrophobicContact CB-CE1 4.42Å; P384-F409 HydrophobicContact CB-CG 4.48Å; P384-F409 HydrophobicContact CG-CB 3.9Å; P384-F409 HydrophobicContact CG-CD1 3.41Å; P384-F409 VanDerWaalsContact CG-CD1 3.41Å; P384-F409 HydrophobicContact CG-CE1 4.12Å; P384-F409 HydrophobicContact CG-CG 3.78Å; P384-V410 HydrophobicContact CB-CB 4.06Å; P384-V410 HydrophobicContact CB-CG2 4.49Å
385	G	94.8	Very high	92.6	Very high	3 Å²	3	61.8 Å²	61.8	3%	0.031	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-2.7	-172.9	0	0	0	0	0	116	R383	R383-G385 PolarHBondContact O-N 3.29Å
386	S	95.1	Very high	92.5	Very high	19 Å²	19	61.2 Å²	61.2	13%	0.133	34%	0.338	C	S	.	.			trans	-80.9	150.4	176.3	-53.4	0	0	0	0	112	R383	R383-S386 WeakPolarHBondContact O-CB 3.46Å; R383-S386 PolarHBondContact O-N 3.49Å; R383-S386 PolarHBondContact O-OG 2.97Å
387	C	96.4	Very high	92.4	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.02	33%	0.33	C	S	.	.			trans	-84.4	150.8	177.8	-46.1	0	0	0	0	110.8	D245 D246 C275 S389 N392	D245-C387 VanDerWaalsContact O-CB 3.28Å; D245-C387 WeakPolarHBondContact O-CB 3.42Å; D246-C387 WeakPolarHBondContact OD1-CB 3.33Å; D246-C387 PolarHBondContact OD1-SG 2.84Å; D246-C387 VanDerWaalsContact OD1-SG 3.38Å; C275-C387 HydrophobicContact CB-CB 3.69Å; C275-C387 WeakPolarHBondContact CB-SG 3.33Å; C275-C387 WeakPolarHBondContact SG-CA 3.44Å; C275-C387 WeakPolarHBondContact SG-CB 3.33Å; C275-C387 PolarHBondContact SG-N 3.44Å; C275-C387 CovalentContact SG-SG 2.03Å; C275-C387 PolarHBondContact SG-SG 3.05Å; C387-S389 VanDerWaalsContact C-N 3.3Å; C387-S389 PolarHBondContact O-N 2.04Å; C387-N392 PolarHBondContact N-ND2 2.79Å; C387-N392 PolarHBondContact O-ND2 3.2Å
388	A	95.8	Very high	92.4	Very high	8 Å²	8	56.1 Å²	56.1	7%	0.066	32%	0.316	C	S	.	.	S	Bend	trans	-73	89.3	169.4	0	0	0	0	0	108.2	N277 F402	N277-A388 PolarHBondContact ND2-O 3Å; A388-F402 HydrophobicContact CB-CE1 4.11Å; A388-F402 HydrophobicContact CB-CZ 4.02Å
389	S	94.8	Very high	92.4	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	28%	0.28	C	S	.	.	S	Bend	trans	-144.9	167.5	-169.9	73.4	0	0	0	0	111.6	D243 D246 C387 V391 N392 G394	D243-S389 WeakPolarHBondContact OD2-CB 3.47Å; D246-S389 PolarHBondContact OD1-OG 3.12Å; C387-S389 VanDerWaalsContact C-N 3.3Å; C387-S389 PolarHBondContact O-N 2.04Å; S389-V391 PolarHBondContact O-N 2.83Å; S389-N392 PolarHBondContact O-N 2.9Å; S389-N392 PolarHBondContact OG-ND2 3.34Å; S389-N392 VanDerWaalsContact OG-ND2 3.12Å; S389-G394 PolarHBondContact O-N 2.81Å
390	K	91.1	Very high	92.4	Very high	165 Å²	165	47.9 Å²	47.9	72%	0.717	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.6	-28.8	179.6	-62.3	174.7	-176.4	171.2	0	111.9	D243 N392 G393	D243-K390 WeakPolarHBondContact OD2-CB 3.41Å; D243-K390 PolarHBondContact OD2-N 2.81Å; K390-N392 PolarHBondContact O-N 2.88Å; K390-G393 PolarHBondContact O-N 3.06Å
391	V	87.2	Confident	92.3	Very high	83 Å²	83	52.3 Å²	52.3	50%	0.503	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-65.4	-30.6	178.9	-176.3	0	0	0	0	111.5	D243 S389 G393	D243-V391 HydrophobicContact CB-CG2 3.78Å; S389-V391 PolarHBondContact O-N 2.83Å; V391-G393 PolarHBondContact O-N 2.72Å
392	N	82.8	Confident	92.4	Very high	45 Å²	45	45.6 Å²	45.6	24%	0.241	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-92.7	36.5	178.9	-60.5	-46.3	0	0	0	112.4	D246 Y381 C387 S389 K390 G394	D246-N392 PolarHBondContact OD1-ND2 3.1Å; Y381-N392 PolarHBondContact OH-O 3.3Å; Y381-N392 VanDerWaalsContact OH-O 3.13Å; C387-N392 PolarHBondContact N-ND2 2.79Å; C387-N392 PolarHBondContact O-ND2 3.2Å; S389-N392 PolarHBondContact O-N 2.9Å; S389-N392 PolarHBondContact OG-ND2 3.34Å; S389-N392 VanDerWaalsContact OG-ND2 3.12Å; K390-N392 PolarHBondContact O-N 2.88Å; N392-G394 VanDerWaalsContact C-N 3.31Å; N392-G394 PolarHBondContact O-N 2.76Å
393	G	79.6	Confident	92.5	Very high	63 Å²	63	47.9 Å²	47.9	65%	0.649	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-1	178.2	0	0	0	0	0	115.2	K390 V391 G395	K390-G393 PolarHBondContact O-N 3.06Å; V391-G393 PolarHBondContact O-N 2.72Å; G393-G395 PolarHBondContact O-N 2.84Å
394	G	82.3	Confident	92.4	Very high	47 Å²	47	46.9 Å²	46.9	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	13.8	175.3	0	0	0	0	0	115.3	S389 N392 F396	S389-G394 PolarHBondContact O-N 2.81Å; N392-G394 VanDerWaalsContact C-N 3.31Å; N392-G394 PolarHBondContact O-N 2.76Å; G394-F396 VanDerWaalsContact C-N 3.33Å; G394-F396 PolarHBondContact O-N 2.85Å
395	G	89.3	Confident	92.4	Very high	59 Å²	59	51.5 Å²	51.5	61%	0.608	31%	0.313	S	S	*	.			trans	-79.5	-10.2	-174.2	0	0	0	0	0	115.1	G393	G393-G395 PolarHBondContact O-N 2.84Å
396	F	92.6	Very high	92.5	Very high	49 Å²	49	51.5 Å²	51.5	22%	0.215	31%	0.312	C	S	.	.			trans	-131.6	131	-179.5	-59	-81.2	0	0	0	109.7	Y381 P382 G394 E401 F402 P403	Y381-F396 HydrophobicContact CE1-CE2 4.38Å; P382-F396 HydrophobicContact CB-CE2 4.39Å; P382-F396 VanDerWaalsContact CD-CE2 3.45Å; P382-F396 HydrophobicContact CG-CD2 4.01Å; P382-F396 HydrophobicContact CG-CE2 3.79Å; P382-F396 HydrophobicContact CG-CZ 4.5Å; G394-F396 VanDerWaalsContact C-N 3.33Å; G394-F396 PolarHBondContact O-N 2.85Å; F396-E401 HydrophobicContact CD1-CB 3.8Å; F396-E401 WeakPolarHBondContact CD1-O 3.32Å; F396-E401 WeakPolarHBondContact CE1-O 3.36Å; F396-F402 HydrophobicContact CB-CD1 4.14Å; F396-F402 HydrophobicContact CB-CE1 3.91Å; F396-F402 HydrophobicContact CD1-CD1 4.19Å; F396-F402 HydrophobicContact CD2-CD1 4.21Å; F396-F402 HydrophobicContact CD2-CE1 4.16Å; F396-F402 AromaticContact CG-CD1 3.9Å; F396-F402 HydrophobicContact CG-CD1 3.9Å; F396-F402 HydrophobicContact CG-CE1 4.01Å; F396-P403 HydrophobicContact CZ-CG 4.36Å
397	S	92.1	Very high	92.6	Very high	96 Å²	96	50.6 Å²	50.6	67%	0.671	31%	0.306	S	S	*	.	S	Bend	trans	-84.2	-20.7	179.1	79.6	0	0	0	0	112.7	E401	S397-E401 PolarHBondContact N-OE2 3.43Å; S397-E401 VanDerWaalsContact OG-CD 3.26Å; S397-E401 PolarHBondContact OG-OE1 3.28Å; S397-E401 PolarHBondContact OG-OE2 3.24Å
398	S	94.8	Very high	92.5	Very high	17 Å²	17	57 Å²	57	12%	0.119	33%	0.329	C	S	.	.	S	Bend	trans	-155.7	154.5	-178.4	175.5	0	0	0	0	110.8	Q279 K400 E401	Q279-S398 PolarHBondContact OE1-OG 2.85Å; S398-K400 PolarHBondContact O-N 2.9Å; S398-K400 VanDerWaalsContact O-N 3.13Å; S398-K400 PolarHBondContact OG-N 3.25Å; S398-E401 WeakPolarHBondContact O-CB 3.5Å; S398-E401 PolarHBondContact O-N 3.38Å
399	S	95.5	Very high	92.6	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.021	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-60.6	-19.6	172.9	63.2	0	0	0	0	113.6	D278 Q279 G280 S290 E401 F402	D278-S399 PolarHBondContact OD1-OG 2.95Å; Q279-S399 WeakPolarHBondContact CA-OG 2.97Å; Q279-S399 PolarHBondContact N-OG 2.95Å; G280-S399 PolarHBondContact N-OG 2.92Å; G280-S399 CarbonylContact O-C 3.47Å; G280-S399 VanDerWaalsContact O-C 3.3Å; G280-S399 PolarHBondContact O-OG 3.21Å; S290-S399 VanDerWaalsContact OG-CB 3.27Å; S290-S399 WeakPolarHBondContact OG-CB 3.44Å; S399-E401 PolarHBondContact O-N 3.18Å; S399-F402 VanDerWaalsContact O-CB 3.31Å; S399-F402 WeakPolarHBondContact O-CB 3.04Å; S399-F402 WeakPolarHBondContact O-CG 3.44Å; S399-F402 PolarHBondContact O-N 3.35Å; S399-F402 VanDerWaalsContact O-N 3.14Å
400	K	95.6	Very high	92.7	Very high	89 Å²	89	57.2 Å²	57.2	39%	0.387	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.7	-26.6	173.8	-73.1	177.9	175.9	172.3	0	112.7	Q279 G280 Q282 S398 F402	Q279-K400 HydrophobicContact CB-CD 4.47Å; Q279-K400 HydrophobicContact CB-CG 4.24Å; G280-K400 PolarHBondContact O-N 3.12Å; Q282-K400 HydrophobicContact CB-CB 4.21Å; Q282-K400 WeakPolarHBondContact CB-O 3.25Å; S398-K400 PolarHBondContact O-N 2.9Å; S398-K400 VanDerWaalsContact O-N 3.13Å; S398-K400 PolarHBondContact OG-N 3.25Å; K400-F402 VanDerWaalsContact C-N 3.31Å
401	E	95.9	Very high	92.9	Very high	100 Å²	100	55.1 Å²	55.1	47%	0.467	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-86.2	-3.7	178.8	-61.3	173.5	178.6	0	0	112.6	F396 S397 S398 S399	F396-E401 HydrophobicContact CD1-CB 3.8Å; F396-E401 WeakPolarHBondContact CD1-O 3.32Å; F396-E401 WeakPolarHBondContact CE1-O 3.36Å; S397-E401 PolarHBondContact N-OE2 3.43Å; S397-E401 VanDerWaalsContact OG-CD 3.26Å; S397-E401 PolarHBondContact OG-OE1 3.28Å; S397-E401 PolarHBondContact OG-OE2 3.24Å; S398-E401 WeakPolarHBondContact O-CB 3.5Å; S398-E401 PolarHBondContact O-N 3.38Å; S399-E401 PolarHBondContact O-N 3.18Å
402	F	96.4	Very high	93.2	Very high	13 Å²	13	54 Å²	54	6%	0.057	31%	0.312	C	S	.	.	S	Bend	trans	-63.5	138.4	179.7	-69.9	-16.6	0	0	0	111.7	P382 A388 F396 S399 K400 L407	P382-F402 HydrophobicContact CG-CD1 3.79Å; P382-F402 HydrophobicContact CG-CE1 3.77Å; P382-F402 HydrophobicContact CG-CG 4.4Å; P382-F402 HydrophobicContact CG-CZ 4.37Å; A388-F402 HydrophobicContact CB-CE1 4.11Å; A388-F402 HydrophobicContact CB-CZ 4.02Å; F396-F402 HydrophobicContact CB-CD1 4.14Å; F396-F402 HydrophobicContact CB-CE1 3.91Å; F396-F402 HydrophobicContact CD1-CD1 4.19Å; F396-F402 HydrophobicContact CD2-CD1 4.21Å; F396-F402 HydrophobicContact CD2-CE1 4.16Å; F396-F402 AromaticContact CG-CD1 3.9Å; F396-F402 HydrophobicContact CG-CD1 3.9Å; F396-F402 HydrophobicContact CG-CE1 4.01Å; S399-F402 VanDerWaalsContact O-CB 3.31Å; S399-F402 WeakPolarHBondContact O-CB 3.04Å; S399-F402 WeakPolarHBondContact O-CG 3.44Å; S399-F402 PolarHBondContact O-N 3.35Å; S399-F402 VanDerWaalsContact O-N 3.14Å; K400-F402 VanDerWaalsContact C-N 3.31Å; F402-L407 HydrophobicContact CB-CD2 4.11Å; F402-L407 HydrophobicContact CB-CG 4.37Å; F402-L407 HydrophobicContact CD2-CD2 4.43Å
403	P	96.2	Very high	93.8	Very high	52 Å²	52	53 Å²	53	34%	0.338	31%	0.306	S	S	.	.			trans	-59.4	144.8	177.4	-23.3	33.4	0	0	0	112.7	F396 E405 V406 L407	F396-P403 HydrophobicContact CZ-CG 4.36Å; P403-E405 PolarHBondContact O-N 3.34Å; P403-E405 VanDerWaalsContact O-N 3.09Å; P403-V406 HydrophobicContact CB-CG2 4.36Å; P403-V406 HydrophobicContact CG-CG2 4.39Å; P403-V406 WeakPolarHBondContact O-CB 3.38Å; P403-V406 PolarHBondContact O-N 3.18Å; P403-L407 PolarHBondContact O-N 2.91Å
404	D	95.5	Very high	94.6	Very high	61 Å²	61	50.1 Å²	50.1	33%	0.326	28%	0.276	S	S	.	.	H	α-helix	trans	-56.8	-29.5	178.8	-76.6	-18.4	0	0	0	113	M284 L407 R408	M284-D404 HydrophobicContact CE-CB 3.5Å; M284-D404 VanDerWaalsContact CE-CB 3.5Å; M284-D404 WeakPolarHBondContact CE-O 3.01Å; D404-L407 PolarHBondContact O-N 3.21Å; D404-R408 VanDerWaalsContact CB-NH2 3.35Å; D404-R408 WeakPolarHBondContact O-CB 3.47Å; D404-R408 PolarHBondContact O-N 3.35Å; D404-R408 PolarHBondContact O-NE 3.03Å
405	E	96.2	Very high	95.2	Very high	99 Å²	99	48.3 Å²	48.3	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-40.3	175.5	-169	-177.9	170.4	0	0	112.3	P380 P403 R408 F409	P380-E405 HydrophobicContact CB-CB 4.43Å; P380-E405 HydrophobicContact CB-CG 3.93Å; P380-E405 HydrophobicContact CG-CG 4.35Å; P403-E405 PolarHBondContact O-N 3.34Å; P403-E405 VanDerWaalsContact O-N 3.09Å; E405-R408 PolarHBondContact O-N 3.16Å; E405-F409 WeakPolarHBondContact O-CB 3.37Å; E405-F409 PolarHBondContact O-N 3.25Å
406	V	96.6	Very high	95.7	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-44.6	176.2	178	0	0	0	0	110.4	P380 Y381 P382 P384 P403 F409 V410	P380-V406 HydrophobicContact CB-CG2 3.85Å; P380-V406 HydrophobicContact CG-CG2 4.05Å; Y381-V406 WeakPolarHBondContact O-CG2 3.41Å; P382-V406 WeakPolarHBondContact O-CG1 3.2Å; P382-V406 WeakPolarHBondContact O-CG2 3.36Å; P384-V406 HydrophobicContact CB-CG1 4.47Å; P384-V406 HydrophobicContact CG-CG1 4.16Å; P403-V406 HydrophobicContact CB-CG2 4.36Å; P403-V406 HydrophobicContact CG-CG2 4.39Å; P403-V406 WeakPolarHBondContact O-CB 3.38Å; P403-V406 PolarHBondContact O-N 3.18Å; V406-F409 PolarHBondContact O-N 2.99Å; V406-V410 PolarHBondContact O-N 2.82Å
407	L	97.1	Very high	95.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-38.4	178.8	-60.6	-178.8	0	0	0	112.2	M284 L285 F402 P403 D404 V410 R411	M284-L407 HydrophobicContact CB-CD1 4.38Å; M284-L407 HydrophobicContact CE-CB 3.83Å; L285-L407 HydrophobicContact CD1-CB 4.12Å; L285-L407 HydrophobicContact CD1-CD2 4.25Å; F402-L407 HydrophobicContact CB-CD2 4.11Å; F402-L407 HydrophobicContact CB-CG 4.37Å; F402-L407 HydrophobicContact CD2-CD2 4.43Å; P403-L407 PolarHBondContact O-N 2.91Å; D404-L407 PolarHBondContact O-N 3.21Å; L407-V410 WeakPolarHBondContact O-CG1 3.41Å; L407-R411 VanDerWaalsContact O-CB 3.32Å; L407-R411 WeakPolarHBondContact O-CB 3.41Å; L407-R411 PolarHBondContact O-N 3.06Å
408	R	96.1	Very high	96.1	Very high	136 Å²	136	50.6 Å²	50.6	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-39.2	172.4	-89.9	177.6	-90.7	115.1	-8.8	111.9	M284 D404 E405 S412	M284-R408 HydrophobicContact CE-CG 3.7Å; M284-R408 HydrophobicContact SD-CG 3.98Å; D404-R408 VanDerWaalsContact CB-NH2 3.35Å; D404-R408 WeakPolarHBondContact O-CB 3.47Å; D404-R408 PolarHBondContact O-N 3.35Å; D404-R408 PolarHBondContact O-NE 3.03Å; E405-R408 PolarHBondContact O-N 3.16Å; R408-S412 PolarHBondContact O-N 3.1Å; R408-S412 PolarHBondContact O-OG 3.38Å
409	F	97.1	Very high	96.2	Very high	15 Å²	15	52.3 Å²	52.3	7%	0.066	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-53.6	179.6	-167.7	-74.7	0	0	0	111.4	F362 Y375 V379 P380 P384 E405 V406 R411 S412 H413	F362-F409 HydrophobicContact CB-CE1 4.32Å; F362-F409 HydrophobicContact CB-CZ 4.47Å; F362-F409 AromaticContact CD1-CE1 3.98Å; F362-F409 HydrophobicContact CD1-CE1 3.98Å; F362-F409 AromaticContact CD2-CE1 3.61Å; F362-F409 HydrophobicContact CD2-CE1 3.61Å; F362-F409 AromaticContact CD2-CZ 3.89Å; F362-F409 HydrophobicContact CD2-CZ 3.89Å; F362-F409 HydrophobicContact CE1-CE1 4.17Å; F362-F409 AromaticContact CE2-CE1 3.83Å; F362-F409 HydrophobicContact CE2-CE1 3.83Å; F362-F409 HydrophobicContact CE2-CZ 4.36Å; F362-F409 AromaticContact CG-CE1 3.7Å; F362-F409 HydrophobicContact CG-CE1 3.7Å; F362-F409 HydrophobicContact CG-CZ 4.17Å; F362-F409 HydrophobicContact CZ-CE1 4.1Å; Y375-F409 HydrophobicContact CD1-CE2 4.05Å; Y375-F409 AromaticContact CD1-CZ 3.81Å; Y375-F409 HydrophobicContact CD1-CZ 3.81Å; Y375-F409 AromaticContact CE1-CE2 3.47Å; Y375-F409 HydrophobicContact CE1-CE2 3.47Å; Y375-F409 VanDerWaalsContact CE1-CE2 3.47Å; Y375-F409 AromaticContact CE1-CZ 3.74Å; Y375-F409 HydrophobicContact CE1-CZ 3.74Å; Y375-F409 HydrophobicContact CE2-CE2 4.43Å; Y375-F409 HydrophobicContact CG-CZ 4.36Å; Y375-F409 AromaticContact CZ-CE2 3.7Å; V379-F409 HydrophobicContact CG2-CZ 4.28Å; P380-F409 HydrophobicContact CG-CB 3.82Å; P380-F409 HydrophobicContact CG-CD2 4.1Å; P380-F409 HydrophobicContact CG-CG 4.04Å; P384-F409 HydrophobicContact CB-CD1 3.74Å; P384-F409 HydrophobicContact CB-CE1 4.42Å; P384-F409 HydrophobicContact CB-CG 4.48Å; P384-F409 HydrophobicContact CG-CB 3.9Å; P384-F409 HydrophobicContact CG-CD1 3.41Å; P384-F409 VanDerWaalsContact CG-CD1 3.41Å; P384-F409 HydrophobicContact CG-CE1 4.12Å; P384-F409 HydrophobicContact CG-CG 3.78Å; E405-F409 WeakPolarHBondContact O-CB 3.37Å; E405-F409 PolarHBondContact O-N 3.25Å; V406-F409 PolarHBondContact O-N 2.99Å; F409-R411 PolarHBondContact O-N 3.06Å; F409-S412 PolarHBondContact O-N 2.91Å; F409-S412 PolarHBondContact O-OG 2.99Å; F409-S412 VanDerWaalsContact O-OG 3.09Å; F409-H413 HydrophobicContact CD1-CB 3.96Å; F409-H413 HydrophobicContact CE1-CB 3.65Å; F409-H413 AromaticContact CE1-CG 3.8Å; F409-H413 HydrophobicContact CZ-CB 4.31Å; F409-H413 AromaticContact CZ-CG 3.99Å; F409-H413 WeakPolarHBondContact O-CB 3.05Å; F409-H413 PolarHBondContact O-N 3.15Å; F409-H413 PolarHBondContact O-ND1 3.09Å
410	V	96.1	Very high	96.4	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-37.2	-177.4	72.7	0	0	0	0	111.8	L285 S290 L293 P384 V406 L407 S412 H413	L285-V410 HydrophobicContact CD1-CG1 3.93Å; S290-V410 WeakPolarHBondContact O-CG1 3.3Å; L293-V410 HydrophobicContact CD2-CG2 4.15Å; P384-V410 HydrophobicContact CB-CB 4.06Å; P384-V410 HydrophobicContact CB-CG2 4.49Å; V406-V410 PolarHBondContact O-N 2.82Å; L407-V410 WeakPolarHBondContact O-CG1 3.41Å; V410-S412 VanDerWaalsContact C-N 3.33Å; V410-S412 PolarHBondContact O-N 2.94Å; V410-H413 CarbonylContact O-C 3.53Å; V410-H413 PolarHBondContact O-N 2.84Å
411	R	95.1	Very high	96.5	Very high	122 Å²	122	51.2 Å²	51.2	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-40.3	176.3	-178.1	174.9	-169.7	-151.3	-2.4	112.7	E220 L285 L407 F409	E220-R411 IonicContact OE1-CZ 3.34Å; E220-R411 VanDerWaalsContact OE1-CZ 3.28Å; E220-R411 IonicContact OE1-NE 3.68Å; E220-R411 PolarHBondContact OE1-NE 3.43Å; E220-R411 VanDerWaalsContact OE1-NE 3.09Å; E220-R411 IonicContact OE1-NH2 2.88Å; E220-R411 PolarHBondContact OE1-NH2 2.79Å; E220-R411 WeakPolarHBondContact OE2-CD 3.03Å; E220-R411 VanDerWaalsContact OE2-CG 3.24Å; E220-R411 WeakPolarHBondContact OE2-CG 3.22Å; E220-R411 IonicContact OE2-CZ 3.98Å; E220-R411 IonicContact OE2-NE 3.45Å; E220-R411 PolarHBondContact OE2-NE 2.61Å; E220-R411 IonicContact OE2-NH2 2.7Å; L285-R411 HydrophobicContact CD1-CB 4.47Å; L285-R411 HydrophobicContact CD2-CB 4.46Å; L285-R411 HydrophobicContact CD2-CG 4.39Å; L407-R411 VanDerWaalsContact O-CB 3.32Å; L407-R411 WeakPolarHBondContact O-CB 3.41Å; L407-R411 PolarHBondContact O-N 3.06Å; F409-R411 PolarHBondContact O-N 3.06Å
412	S	93.6	Very high	96.5	Very high	59 Å²	59	46.8 Å²	46.8	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-91.3	-13.7	-177.5	50.2	0	0	0	0	114.1	Q225 R408 F409 V410 P414	Q225-S412 PolarHBondContact OE1-O 3.21Å; R408-S412 PolarHBondContact O-N 3.1Å; R408-S412 PolarHBondContact O-OG 3.38Å; F409-S412 PolarHBondContact O-N 2.91Å; F409-S412 PolarHBondContact O-OG 2.99Å; F409-S412 VanDerWaalsContact O-OG 3.09Å; V410-S412 VanDerWaalsContact C-N 3.33Å; V410-S412 PolarHBondContact O-N 2.94Å; S412-P414 VanDerWaalsContact C-CD 3.43Å
413	H	95.6	Very high	96.4	Very high	23 Å²	23	48.8 Å²	48.8	11%	0.106	23%	0.228	C	C	.	.			trans	-131.1	57.8	-177.6	-58.5	78.7	0	0	0	112.1	F362 Y364 Y375 F409 V410 V415	F362-H413 HydrophobicContact CB-CB 4.33Å; F362-H413 HydrophobicContact CD1-CB 4.25Å; F362-H413 HydrophobicContact CG-CB 4.49Å; Y364-H413 AromaticContact CD2-NE2 3.68Å; Y375-H413 AromaticContact CD2-NE2 3.76Å; Y375-H413 AromaticContact CE2-NE2 3.86Å; F409-H413 HydrophobicContact CD1-CB 3.96Å; F409-H413 HydrophobicContact CE1-CB 3.65Å; F409-H413 AromaticContact CE1-CG 3.8Å; F409-H413 HydrophobicContact CZ-CB 4.31Å; F409-H413 AromaticContact CZ-CG 3.99Å; F409-H413 WeakPolarHBondContact O-CB 3.05Å; F409-H413 PolarHBondContact O-N 3.15Å; F409-H413 PolarHBondContact O-ND1 3.09Å; V410-H413 CarbonylContact O-C 3.53Å; V410-H413 PolarHBondContact O-N 2.84Å; H413-V415 PolarHBondContact O-N 3.29Å
414	P	96.2	Very high	96.1	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.019	23%	0.225	C	C	.	.			trans	-74.1	-9.8	-179.3	30.4	-35.1	0	0	0	113.4	Q225 Q226 F292 L293 K294 S412	Q225-P414 HydrophobicContact CB-CG 3.97Å; Q226-P414 HydrophobicContact CG-CB 4.26Å; Q226-P414 HydrophobicContact CG-CG 4.28Å; F292-P414 HydrophobicContact CD1-CB 4.25Å; F292-P414 HydrophobicContact CE1-CB 4.4Å; L293-P414 CarbonylContact C-O 3.6Å; L293-P414 VanDerWaalsContact CA-O 3.31Å; L293-P414 WeakPolarHBondContact CA-O 3.44Å; K294-P414 PolarHBondContact N-O 3.34Å; S412-P414 VanDerWaalsContact C-CD 3.43Å
415	V	96.5	Very high	96	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-106.6	134.3	-173.2	-173.3	0	0	0	0	111	K294 A363 W372 H413	K294-V415 HydrophobicContact CD-CG2 4.47Å; K294-V415 HydrophobicContact CG-CG2 4.11Å; K294-V415 CarbonylContact O-C 3.46Å; K294-V415 WeakPolarHBondContact O-CA 3.21Å; A363-V415 HydrophobicContact CB-CB 4.14Å; A363-V415 HydrophobicContact CB-CG1 4.04Å; A363-V415 WeakPolarHBondContact CB-O 3.32Å; A363-V415 PolarHBondContact N-O 3.3Å; W372-V415 HydrophobicContact CH2-CB 4.43Å; W372-V415 HydrophobicContact CH2-CG2 4.31Å; H413-V415 PolarHBondContact O-N 3.29Å
416	M	98	Very high	95.8	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.025	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-86.8	143.8	171.1	-48.2	-54.8	-57.4	0	0	110.9	L293 K294 F358 G360 F362	L293-M416 HydrophobicContact CB-SD 4.3Å; L293-M416 HydrophobicContact CD1-SD 3.87Å; L293-M416 HydrophobicContact CD2-SD 4.2Å; L293-M416 HydrophobicContact CG-SD 4.36Å; K294-M416 PolarHBondContact O-N 3.38Å; F358-M416 HydrophobicContact CD1-CG 3.81Å; F358-M416 HydrophobicContact CD1-SD 4.46Å; F358-M416 HydrophobicContact CE1-CG 4.35Å; F358-M416 VanDerWaalsContact O-CE 3.24Å; F358-M416 WeakPolarHBondContact O-CE 3.38Å; G360-M416 WeakPolarHBondContact O-CE 3.41Å; F362-M416 HydrophobicContact CD1-CE 4.07Å; F362-M416 HydrophobicContact CD1-SD 3.81Å; F362-M416 HydrophobicContact CE1-CE 4.17Å; F362-M416 HydrophobicContact CE1-SD 3.89Å; F362-M416 HydrophobicContact CG-CE 4.41Å
417	Y	96.9	Very high	95.7	Very high	106 Å²	106	51.7 Å²	51.7	42%	0.416	23%	0.233	S	C	.	.	S	Bend	trans	-74.9	-39.7	-178.6	178.7	-104.4	0	0	0	112.6	P361 T373 P374	P361-Y417 HydrophobicContact CG-CD1 4.18Å; P361-Y417 WeakPolarHBondContact O-CB 3.2Å; P361-Y417 PolarHBondContact O-N 3.28Å; T373-Y417 VanDerWaalsContact C-CD2 3.44Å; P374-Y417 HydrophobicContact CB-CD1 3.92Å; P374-Y417 HydrophobicContact CB-CE1 4.2Å; P374-Y417 HydrophobicContact CB-CG 4.08Å; P374-Y417 HydrophobicContact CG-CD1 4.5Å; P374-Y417 HydrophobicContact CG-CE1 4.28Å
418	R	97.4	Very high	95.6	Very high	141 Å²	141	52 Å²	52	53%	0.532	24%	0.235	S	C	.	.	S	Bend	trans	-79.6	124.3	-179.2	-71.1	-176.9	-175.4	162.3	0.8	110.8	T295 P361	T295-R418 PolarHBondContact OG1-O 2.76Å; P361-R418 HydrophobicContact CG-CG 4.28Å
419	P	97.4	Very high	95.5	Very high	54 Å²	54	46.2 Å²	46.2	35%	0.351	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-73.8	165.4	171.9	33.8	-35.8	0	0	0	111.1	R296 I298	R296-P419 HydrophobicContact CB-CB 4.14Å; R296-P419 WeakPolarHBondContact O-CA 3.38Å; I298-P419 HydrophobicContact CD1-CB 3.42Å; I298-P419 VanDerWaalsContact CD1-CB 3.42Å; I298-P419 HydrophobicContact CD1-CG 3.61Å; I298-P419 HydrophobicContact CG1-CB 3.87Å
420	V	98.5	Very high	95.3	Very high	1 Å²	1	48 Å²	48	1%	0.006	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-95.3	122.9	167.7	-177.5	0	0	0	0	108.3	I271 T295 R296 L297 I298 Y349 D353 I354 A357	I271-V420 HydrophobicContact CG2-CG2 4.41Å; T295-V420 HydrophobicContact CG2-CG2 3.69Å; R296-V420 PolarHBondContact O-N 2.87Å; L297-V420 HydrophobicContact CD1-CB 3.75Å; L297-V420 HydrophobicContact CD1-CG1 3.74Å; I298-V420 PolarHBondContact N-O 2.8Å; Y349-V420 HydrophobicContact CD1-CG1 3.78Å; Y349-V420 HydrophobicContact CE1-CG1 4.46Å; Y349-V420 HydrophobicContact CG-CG1 4.47Å; D353-V420 HydrophobicContact CB-CG1 4.42Å; I354-V420 HydrophobicContact CG1-CG1 3.75Å; I354-V420 HydrophobicContact CG1-CG2 4.18Å; A357-V420 HydrophobicContact CB-CG2 3.61Å
421	L	97.6	Very high	95	Very high	68 Å²	68	48.7 Å²	48.7	36%	0.356	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-97	150.7	177.9	-64.4	171.4	0	0	0	110	I298 Y349 H425	I298-L421 HydrophobicContact CB-CD2 4.05Å; I298-L421 HydrophobicContact CD1-CD2 3.91Å; I298-L421 HydrophobicContact CG2-CD2 4.12Å; Y349-L421 WeakPolarHBondContact CD1-O 3.47Å; L421-H425 WeakPolarHBondContact CD1-ND1 3.5Å
422	P	96.9	Very high	94.4	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.039	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-74.2	160.4	179.9	31.5	-29.5	0	0	0	110.4	I298 C347 M348 Y349 H424 H425	I298-P422 VanDerWaalsContact O-CD 3.26Å; I298-P422 WeakPolarHBondContact O-CD 3.34Å; C347-P422 HydrophobicContact CB-CB 3.81Å; M348-P422 CarbonylContact O-C 3.55Å; M348-P422 WeakPolarHBondContact O-CA 3.09Å; Y349-P422 HydrophobicContact CD1-CB 4.15Å; Y349-P422 HydrophobicContact CE1-CB 3.7Å; Y349-P422 HydrophobicContact CE1-CG 4.47Å; P422-H424 PolarHBondContact O-N 2.96Å; P422-H425 WeakPolarHBondContact O-CA 3.12Å; P422-H425 PolarHBondContact O-N 2.79Å
423	H	94.1	Very high	93.6	Very high	56 Å²	56	46.8 Å²	46.8	26%	0.259	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-54.3	135.9	173.9	-168	59.1	0	0	0	110.2	M348 H350 H425	M348-H423 HydrophobicContact CB-CB 4.46Å; M348-H423 PolarHBondContact O-N 2.9Å; H350-H423 AromaticContact CD2-CE1 3.9Å; H350-H423 AromaticContact CD2-ND1 3.44Å; H350-H423 PolarHBondContact CD2-ND1 3.38Å; H350-H423 AromaticContact NE2-CE1 3.39Å; H350-H423 PolarHBondContact NE2-CE1 2.05Å; H350-H423 AromaticContact NE2-CG 3.8Å; H350-H423 AromaticContact NE2-ND1 3.26Å; H350-H423 PolarHBondContact NE2-ND1 3.42Å; H350-H423 AromaticContact NE2-NE2 3.97Å; H423-H425 PolarHBondContact O-N 3.14Å; H423-H425 VanDerWaalsContact O-N 3.12Å
424	H	90.6	Very high	92.2	Very high	58 Å²	58	51.1 Å²	51.1	27%	0.269	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	57	16.2	-171.2	-56.2	-56.7	0	0	0	115.5	P422 R426 Y473	P422-H424 PolarHBondContact O-N 2.96Å; H424-R426 HydrophobicContact CB-CG 4.42Å; H424-R426 PolarHBondContact O-N 2.98Å; H424-R426 PolarHBondContact O-NE 3.08Å; H424-R426 PolarHBondContact O-NH2 2.92Å; H424-Y473 AromaticContact CD2-CE1 3.99Å; H424-Y473 AromaticContact CE1-CD1 3.81Å; H424-Y473 AromaticContact CE1-CE1 3.32Å; H424-Y473 WeakPolarHBondContact CE1-CE1 3.32Å; H424-Y473 AromaticContact CE1-CZ 3.72Å; H424-Y473 AromaticContact CG-CZ 3.94Å; H424-Y473 AromaticContact ND1-CE1 3.84Å; H424-Y473 AromaticContact ND1-CZ 3.75Å; H424-Y473 AromaticContact NE2-CD1 3.38Å; H424-Y473 WeakPolarHBondContact NE2-CD1 3.31Å; H424-Y473 AromaticContact NE2-CE1 3.39Å; H424-Y473 WeakPolarHBondContact NE2-CE1 3.22Å; H424-Y473 AromaticContact NE2-CG 3.84Å; H424-Y473 AromaticContact NE2-CZ 3.87Å
425	H	92.4	Very high	90.8	Very high	131 Å²	131	55.3 Å²	55.3	61%	0.606	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	55.8	27.7	-179.8	-58.3	-82.2	0	0	0	114.5	L421 P422 H423	L421-H425 WeakPolarHBondContact CD1-ND1 3.5Å; P422-H425 WeakPolarHBondContact O-CA 3.12Å; P422-H425 PolarHBondContact O-N 2.79Å; H423-H425 PolarHBondContact O-N 3.14Å; H423-H425 VanDerWaalsContact O-N 3.12Å
426	R	91.7	Very high	89.9	Confident	71 Å²	71	58.8 Å²	58.8	27%	0.268	31%	0.308	S	S	.	.	S	Bend	trans	-150.8	164.6	179.1	75.2	-160.9	78.2	-154.4	1.8	112.6	H424 D478	H424-R426 HydrophobicContact CB-CG 4.42Å; H424-R426 PolarHBondContact O-N 2.98Å; H424-R426 PolarHBondContact O-NE 3.08Å; H424-R426 PolarHBondContact O-NH2 2.92Å; R426-D478 IonicContact CZ-OD1 3.87Å; R426-D478 IonicContact CZ-OD2 3.56Å; R426-D478 VanDerWaalsContact NH1-CG 3.25Å; R426-D478 PolarHBondContact NH1-O 3.31Å; R426-D478 IonicContact NH1-OD1 2.68Å; R426-D478 PolarHBondContact NH1-OD1 2.74Å; R426-D478 IonicContact NH1-OD2 2.85Å; R426-D478 PolarHBondContact NH1-OD2 2.94Å; R426-D478 IonicContact NH2-OD1 3.26Å; R426-D478 PolarHBondContact NH2-OD1 2.95Å; R426-D478 IonicContact NH2-OD2 3.74Å; R426-D478 PolarHBondContact NH2-OD2 2.98Å
427	P	95.3	Very high	89.4	Confident	15 Å²	15	62 Å²	62	10%	0.097	32%	0.32	C	S	.	.			trans	-67.2	146.9	169.8	-17.7	33.1	0	0	0	111.7	S300 V301 A345 V346	S300-P427 WeakPolarHBondContact O-CD 3.26Å; V301-P427 HydrophobicContact CG2-CG 3.73Å; A345-P427 HydrophobicContact CB-CB 4.05Å; A345-P427 HydrophobicContact CB-CG 4.13Å; V346-P427 CarbonylContact O-C 3.52Å; V346-P427 WeakPolarHBondContact O-CA 3.38Å; V346-P427 WeakPolarHBondContact O-CB 3.19Å
428	I	94.7	Very high	89.2	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.046	32%	0.323	C	S	.	.	S	Bend	trans	-86.1	-17.4	171.4	61.1	167.2	0	0	0	112.4	F331 V346 M348 L457 T471 V480	F331-I428 HydrophobicContact CD1-CD1 3.85Å; F331-I428 HydrophobicContact CE1-CD1 3.64Å; V346-I428 HydrophobicContact CB-CG1 4.1Å; V346-I428 HydrophobicContact CG1-CD1 3.98Å; V346-I428 HydrophobicContact CG1-CG1 3.92Å; V346-I428 VanDerWaalsContact O-CG1 3.28Å; V346-I428 WeakPolarHBondContact O-CG1 3.12Å; V346-I428 PolarHBondContact O-N 2.85Å; M348-I428 HydrophobicContact CB-CD1 4.39Å; M348-I428 HydrophobicContact CB-CG2 4.46Å; M348-I428 HydrophobicContact CE-CD1 4.2Å; M348-I428 HydrophobicContact CE-CG2 4.25Å; I428-L457 HydrophobicContact CD1-CD2 4.03Å; I428-T471 HydrophobicContact CB-CG2 4.41Å; I428-T471 WeakPolarHBondContact O-CG2 3.19Å; I428-V480 WeakPolarHBondContact O-CG1 3.2Å
429	L	94.3	Very high	89.1	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.068	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.3	173	-177.3	148.9	0	0	0	109	A345 V346 L439 I459 V469 E482	A345-L429 CarbonylContact C-O 3.25Å; A345-L429 VanDerWaalsContact CA-O 3.26Å; A345-L429 WeakPolarHBondContact CA-O 3.43Å; V346-L429 HydrophobicContact CB-CB 3.96Å; V346-L429 HydrophobicContact CG2-CB 4.07Å; V346-L429 HydrophobicContact CG2-CD2 4.2Å; V346-L429 PolarHBondContact N-O 2.88Å; V346-L429 PolarHBondContact O-N 3.11Å; L429-L439 HydrophobicContact CD2-CD1 4.31Å; L429-I459 HydrophobicContact CD1-CD1 3.69Å; L429-V469 HydrophobicContact CD1-CB 4.36Å; L429-V469 HydrophobicContact CD1-CG1 3.93Å; L429-V469 HydrophobicContact CD1-CG2 4.32Å; L429-E482 WeakPolarHBondContact CA-OE1 3.21Å
430	L	92.5	Very high	89.1	Confident	54 Å²	54	54.3 Å²	54.3	28%	0.283	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.9	179.1	-176.7	66.8	0	0	0	111.4	V301 F311 A345 E482	V301-L430 HydrophobicContact CG2-CD1 3.91Å; V301-L430 HydrophobicContact CG2-CD2 3.99Å; F311-L430 HydrophobicContact CE1-CD1 4.17Å; F311-L430 HydrophobicContact CE2-CD1 3.87Å; F311-L430 HydrophobicContact CZ-CD1 3.41Å; F311-L430 VanDerWaalsContact CZ-CD1 3.41Å; A345-L430 HydrophobicContact CB-CD1 4.31Å; L430-E482 PolarHBondContact N-OE1 3.15Å
431	Q	90.5	Very high	89.1	Confident	18 Å²	18	55.6 Å²	55.6	8%	0.084	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	90.5	171.8	-167.3	-173.4	-80.1	0	0	110.2	G343 Y344 R436 R437	G343-Q431 CarbonylContact C-O 3.58Å; G343-Q431 VanDerWaalsContact CA-O 3.24Å; G343-Q431 WeakPolarHBondContact CA-O 3.41Å; Y344-Q431 PolarHBondContact N-O 3.31Å; Y344-Q431 PolarHBondContact O-N 2.68Å; Q431-R436 HydrophobicContact CG-CB 4.02Å; Q431-R436 HydrophobicContact CG-CG 4.44Å; Q431-R437 PolarHBondContact NE2-O 2.7Å
432	S	82.8	Confident	89.1	Confident	53 Å²	53	52.4 Å²	52.4	37%	0.371	28%	0.279	S	S	.	.			trans	-103.9	-8.3	-177.6	55.5	0	0	0	0	114.3	F341	F341-S432 WeakPolarHBondContact CE2-O 3.48Å; F341-S432 WeakPolarHBondContact CZ-O 3.34Å
433	E	75.1	Confident	89.2	Confident	88 Å²	88	52.1 Å²	52.1	41%	0.411	28%	0.277	S	S	.	.			trans	-74.3	129.6	-175.7	-71.5	-177.4	-174.7	0	0	112.9	R436	E433-R436 HydrophobicContact CB-CG 4.04Å; E433-R436 PolarHBondContact O-N 2.88Å; E433-R436 IonicContact OE1-NH2 3.59Å; E433-R436 PolarHBondContact OE1-NH2 3.3Å; E433-R436 IonicContact OE2-CZ 3.68Å; E433-R436 IonicContact OE2-NE 2.84Å; E433-R436 PolarHBondContact OE2-NE 3.25Å; E433-R436 IonicContact OE2-NH2 4Å; E433-R436 PolarHBondContact OE2-NH2 2.72Å
434	P	67	Low	89.4	Confident	115 Å²	115	49.5 Å²	49.5	75%	0.747	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	140.2	174.8	-22.8	32.8	0	0	0	112.4	R436	P434-R436 VanDerWaalsContact C-N 3.32Å; P434-R436 PolarHBondContact O-N 3.23Å
435	G	67	Low	89.7	Confident	90 Å²	90	47.4 Å²	47.4	93%	0.928	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	1.2	176.3	0	0	0	0	0	115.3
436	R	78.1	Confident	89.9	Confident	83 Å²	83	44.6 Å²	44.6	31%	0.313	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-74.1	158.3	167.2	-70.4	-165.3	179	-166.1	13.1	111.8	I35 Q431 E433 P434	I35-R436 VanDerWaalsContact CG1-NH2 3.26Å; Q431-R436 HydrophobicContact CG-CB 4.02Å; Q431-R436 HydrophobicContact CG-CG 4.44Å; E433-R436 HydrophobicContact CB-CG 4.04Å; E433-R436 PolarHBondContact O-N 2.88Å; E433-R436 IonicContact OE1-NH2 3.59Å; E433-R436 PolarHBondContact OE1-NH2 3.3Å; E433-R436 IonicContact OE2-CZ 3.68Å; E433-R436 IonicContact OE2-NE 2.84Å; E433-R436 PolarHBondContact OE2-NE 3.25Å; E433-R436 IonicContact OE2-NH2 4Å; E433-R436 PolarHBondContact OE2-NH2 2.72Å; P434-R436 VanDerWaalsContact C-N 3.32Å; P434-R436 PolarHBondContact O-N 3.23Å
437	R	86.1	Confident	90.1	Very high	72 Å²	72	41.9 Å²	41.9	27%	0.272	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-58.2	146.9	-178.1	-65.4	172.9	178.2	119.4	-6.1	111.8	Q431 T461 D463 E487	Q431-R437 PolarHBondContact NE2-O 2.7Å; R437-T461 HydrophobicContact CB-CG2 4.04Å; R437-D463 VanDerWaalsContact CD-OD1 3.22Å; R437-D463 WeakPolarHBondContact CD-OD1 3.13Å; R437-D463 WeakPolarHBondContact CD-OD2 3.2Å; R437-D463 IonicContact CZ-OD2 3.43Å; R437-D463 IonicContact NE-OD1 3.51Å; R437-D463 PolarHBondContact NE-OD1 3.39Å; R437-D463 IonicContact NE-OD2 2.8Å; R437-D463 PolarHBondContact NE-OD2 2.86Å; R437-E487 IonicContact CZ-OE1 2.72Å; R437-E487 IonicContact CZ-OE2 3.55Å; R437-E487 IonicContact NH1-OE1 2.79Å; R437-E487 PolarHBondContact NH1-OE1 3.03Å; R437-E487 IonicContact NH1-OE2 3.52Å; R437-E487 PolarHBondContact NH1-OE2 2.9Å; R437-E487 IonicContact NH2-OE1 3.94Å; R437-E487 PolarHBondContact NH2-OE1 2.84Å; R437-E487 IonicContact NH2-OE2 2.82Å
438	K	92.9	Very high	89.9	Confident	108 Å²	108	45.5 Å²	45.5	47%	0.47	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-77	133.8	173.4	-61.4	-179.7	-172.4	167.9	0	109	Y344 T461 D462	Y344-K438 HydrophobicContact CE2-CB 4.14Å; Y344-K438 HydrophobicContact CE2-CG 4.29Å; Y344-K438 WeakPolarHBondContact OH-CB 3.3Å; Y344-K438 WeakPolarHBondContact OH-CG 3.46Å; K438-T461 CarbonylContact O-C 3.5Å; K438-T461 WeakPolarHBondContact O-CA 3.49Å; K438-T461 WeakPolarHBondContact O-CB 3.21Å; K438-D462 HydrophobicContact CB-CB 3.96Å; K438-D462 VanDerWaalsContact CB-CG 3.47Å; K438-D462 WeakPolarHBondContact CB-OD2 3.07Å; K438-D462 WeakPolarHBondContact CD-OD2 3.47Å; K438-D462 WeakPolarHBondContact CG-OD2 3.28Å; K438-D462 PolarHBondContact N-OD1 2.7Å; K438-D462 PolarHBondContact O-N 3.34Å
439	L	96.2	Very high	89.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.1	176.1	-49.2	-176.1	0	0	0	108.6	L333 Y344 L429 I459 G460 T461 L467	L333-L439 HydrophobicContact CD1-CB 3.92Å; L333-L439 HydrophobicContact CD1-CD1 4.04Å; L333-L439 HydrophobicContact CD2-CB 3.92Å; L333-L439 HydrophobicContact CG-CB 4.45Å; Y344-L439 HydrophobicContact CD1-CB 3.72Å; Y344-L439 HydrophobicContact CD1-CG 4.16Å; Y344-L439 HydrophobicContact CD2-CG 4.2Å; Y344-L439 HydrophobicContact CE1-CB 4.15Å; Y344-L439 WeakPolarHBondContact CE1-O 3.49Å; Y344-L439 HydrophobicContact CG-CB 3.96Å; Y344-L439 HydrophobicContact CG-CD1 4.05Å; Y344-L439 HydrophobicContact CG-CG 3.85Å; L429-L439 HydrophobicContact CD2-CD1 4.31Å; L439-I459 HydrophobicContact CB-CG2 3.92Å; L439-I459 HydrophobicContact CD1-CG2 4.07Å; L439-I459 HydrophobicContact CD2-CG2 3.89Å; L439-I459 HydrophobicContact CG-CG2 4.16Å; L439-G460 WeakPolarHBondContact CA-O 3.32Å; L439-T461 HydrophobicContact CD2-CG2 4.17Å; L439-L467 HydrophobicContact CD2-CD1 4.18Å
440	T	96.9	Very high	89.6	Confident	29 Å²	29	49.2 Å²	49.2	18%	0.178	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-32.2	-170.6	61.4	0	0	0	0	114.6	G460 D462 I497	T440-G460 PolarHBondContact N-O 2.84Å; T440-G460 PolarHBondContact OG1-O 3.39Å; T440-D462 HydrophobicContact CG2-CB 4.33Å; T440-I497 WeakPolarHBondContact CB-O 3.44Å; T440-I497 PolarHBondContact OG1-O 3.5Å
441	Q	97.8	Very high	89.5	Confident	28 Å²	28	50 Å²	50	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.8	-171.7	-71.8	-67.5	-68.7	0	0	110.8	D316 I459 G460 I497 K498 I500	D316-Q441 WeakPolarHBondContact OD2-CA 3.42Å; D316-Q441 PolarHBondContact OD2-OE1 3.01Å; Q441-I459 CarbonylContact O-C 3.58Å; Q441-I459 WeakPolarHBondContact O-CA 3.44Å; Q441-G460 PolarHBondContact O-N 3.1Å; Q441-I497 HydrophobicContact CB-CG2 4.3Å; Q441-I497 HydrophobicContact CG-CG2 4.22Å; Q441-K498 VanDerWaalsContact CD-O 3.26Å; Q441-K498 PolarHBondContact OE1-O 3.34Å; Q441-I500 HydrophobicContact CB-CB 4.47Å; Q441-I500 HydrophobicContact CB-CD1 3.88Å; Q441-I500 HydrophobicContact CB-CG1 3.87Å
442	I	98.5	Very high	89.6	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.9	178.1	-172.1	170.4	0	0	0	112	D316 F318 F331 L333 V346 V444 L457 Y458 I459	D316-I442 HydrophobicContact CB-CG2 4.13Å; D316-I442 PolarHBondContact OD2-N 2.86Å; F318-I442 HydrophobicContact CB-CG2 4.14Å; F331-I442 HydrophobicContact CB-CD1 4.39Å; L333-I442 HydrophobicContact CB-CB 4.44Å; L333-I442 HydrophobicContact CB-CG2 4.08Å; V346-I442 HydrophobicContact CG1-CD1 3.63Å; V346-I442 HydrophobicContact CG2-CD1 4.08Å; I442-V444 HydrophobicContact CD1-CG2 4.15Å; I442-V444 HydrophobicContact CG1-CG2 4.06Å; I442-L457 HydrophobicContact CD1-CD2 4.26Å; I442-Y458 WeakPolarHBondContact CA-O 3.49Å; I442-I459 HydrophobicContact CG1-CG1 4.36Å
443	A	98.5	Very high	90.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.2	163.5	0	0	0	0	0	110.1	F318 Y458 I500 I502 L509	F318-A443 HydrophobicContact CD2-CB 4.22Å; F318-A443 HydrophobicContact CE2-CB 4.03Å; A443-Y458 PolarHBondContact N-O 2.76Å; A443-Y458 PolarHBondContact O-N 2.88Å; A443-I500 HydrophobicContact CB-CB 4.35Å; A443-I500 HydrophobicContact CB-CG2 3.65Å; A443-I502 HydrophobicContact CB-CB 4.09Å; A443-I502 HydrophobicContact CB-CG2 4.1Å; A443-L509 HydrophobicContact CB-CD2 4.46Å
444	V	98.4	Very high	91.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.8	-176.5	-172.7	0	0	0	0	110.3	F318 L320 F331 I442 H455 V456	F318-V444 HydrophobicContact CD1-CB 3.73Å; F318-V444 HydrophobicContact CD1-CG2 3.95Å; F318-V444 HydrophobicContact CE1-CB 3.84Å; F318-V444 WeakPolarHBondContact CE1-O 3.43Å; F318-V444 HydrophobicContact CG-CG2 4.39Å; F318-V444 VanDerWaalsContact CZ-O 3.31Å; F318-V444 WeakPolarHBondContact CZ-O 3.46Å; L320-V444 HydrophobicContact CD2-CG1 4.42Å; F331-V444 HydrophobicContact CB-CG2 4.25Å; F331-V444 HydrophobicContact CD1-CG2 4.01Å; F331-V444 HydrophobicContact CD2-CB 4.44Å; F331-V444 HydrophobicContact CD2-CG2 4.06Å; F331-V444 HydrophobicContact CE1-CG1 4.28Å; F331-V444 HydrophobicContact CE1-CG2 4.35Å; F331-V444 HydrophobicContact CE2-CB 4.46Å; F331-V444 HydrophobicContact CE2-CG1 4.11Å; F331-V444 HydrophobicContact CE2-CG2 4.43Å; F331-V444 HydrophobicContact CG-CG2 3.85Å; F331-V444 HydrophobicContact CZ-CG1 3.97Å; I442-V444 HydrophobicContact CD1-CG2 4.15Å; I442-V444 HydrophobicContact CG1-CG2 4.06Å; V444-H455 HydrophobicContact CG1-CB 4.02Å; V444-V456 WeakPolarHBondContact CA-O 3.35Å
445	D	97.6	Very high	92.6	Very high	14 Å²	14	46.3 Å²	46.3	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	149.7	165	-159.4	3.6	0	0	0	110.7	V447 H455 V456 I502 Y542	D445-V447 HydrophobicContact CB-CG2 4.09Å; D445-H455 WeakPolarHBondContact O-CA 3.36Å; D445-V456 PolarHBondContact N-O 2.88Å; D445-V456 PolarHBondContact O-N 3.14Å; D445-I502 HydrophobicContact CB-CD1 3.74Å; D445-Y542 VanDerWaalsContact CB-OH 3.24Å; D445-Y542 WeakPolarHBondContact CB-OH 3.12Å; D445-Y542 PolarHBondContact OD2-OH 3.04Å
446	K	95.9	Very high	94	Very high	73 Å²	73	42 Å²	42	32%	0.317	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	101.9	172.7	-170.4	168.1	-163.5	145.3	0	109.5	L320 E329 H453 Y454	L320-K446 HydrophobicContact CD2-CB 4.14Å; L320-K446 HydrophobicContact CD2-CD 4.48Å; E329-K446 IonicContact OE1-NZ 3.31Å; E329-K446 PolarHBondContact OE1-NZ 3.27Å; E329-K446 VanDerWaalsContact OE1-NZ 3.17Å; E329-K446 IonicContact OE2-NZ 3.8Å; E329-K446 PolarHBondContact OE2-NZ 2.99Å; K446-H453 HydrophobicContact CG-CB 4.43Å; K446-Y454 WeakPolarHBondContact CA-O 3.43Å
447	V	95.3	Very high	95	Very high	13 Å²	13	38 Å²	38	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.9	-169.7	-171.1	0	0	0	0	109.9	D445 H453 Y454 V456 P541 Y542	D445-V447 HydrophobicContact CB-CG2 4.09Å; V447-H453 CarbonylContact O-C 3.58Å; V447-H453 VanDerWaalsContact O-CA 3.32Å; V447-H453 WeakPolarHBondContact O-CA 3.33Å; V447-Y454 PolarHBondContact N-O 3.03Å; V447-Y454 PolarHBondContact O-N 3.27Å; V447-V456 HydrophobicContact CB-CG2 4.28Å; V447-V456 HydrophobicContact CG2-CB 4.39Å; V447-V456 HydrophobicContact CG2-CG2 3.61Å; V447-P541 HydrophobicContact CB-CB 3.99Å; V447-P541 HydrophobicContact CG1-CB 3.81Å; V447-Y542 HydrophobicContact CB-CE1 4.33Å; V447-Y542 HydrophobicContact CG1-CD1 3.77Å; V447-Y542 HydrophobicContact CG1-CE1 3.87Å; V447-Y542 HydrophobicContact CG1-CG 4.23Å; V447-Y542 HydrophobicContact CG2-CD1 4.15Å; V447-Y542 HydrophobicContact CG2-CD2 4.49Å; V447-Y542 HydrophobicContact CG2-CE1 3.43Å; V447-Y542 VanDerWaalsContact CG2-CE1 3.43Å; V447-Y542 HydrophobicContact CG2-CE2 3.84Å; V447-Y542 WeakPolarHBondContact CG2-OH 3.34Å
448	Q	92.9	Very high	95.6	Very high	92 Å²	92	34.7 Å²	34.7	43%	0.43	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.7	170	-173.2	177.4	7.7	0	0	109.6	Y553 P555	Q448-Y553 WeakPolarHBondContact O-CD1 3.33Å; Q448-Y553 WeakPolarHBondContact O-CE1 3.3Å; Q448-P555 HydrophobicContact CG-CG 4.31Å
449	A	93.2	Very high	95.9	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	15%	0.15	C	C	.	.			trans	-113	-173.6	172.9	0	0	0	0	0	110.5	G452 Y454 P541 Y553 V570	A449-G452 PolarHBondContact N-O 3.28Å; A449-Y454 HydrophobicContact CB-CD2 3.73Å; A449-Y454 HydrophobicContact CB-CE2 3.79Å; A449-P541 HydrophobicContact CB-CB 4.28Å; A449-Y553 VanDerWaalsContact C-CE1 3.42Å; A449-Y553 VanDerWaalsContact C-CZ 3.44Å; A449-Y553 PolarHBondContact O-OH 3.07Å; A449-Y553 VanDerWaalsContact O-OH 3.08Å; A449-V570 HydrophobicContact CB-CG2 3.93Å
450	Q	89.5	Confident	96	Very high	95 Å²	95	29.5 Å²	29.5	44%	0.444	15%	0.149	S	C	.	.	S	Bend	trans	-67.9	-36.4	177.4	-179.6	169.9	-27.6	0	0	112.9	Y553 Q568	Q450-Y553 WeakPolarHBondContact CA-OH 3.49Å; Q450-Y553 HydrophobicContact CB-CE2 4.12Å; Q450-Y553 PolarHBondContact N-OH 3.4Å; Q450-Q568 HydrophobicContact CB-CB 4.08Å; Q450-Q568 PolarHBondContact OE1-O 2.83Å
451	D	90.1	Very high	96	Very high	70 Å²	70	28.1 Å²	28.1	37%	0.374	14%	0.141	S	C	.	.	S	Bend	trans	-104.1	-6.3	-172.8	54.2	-15.7	0	0	0	114	Y454 R571	D451-Y454 VanDerWaalsContact OD1-CE2 3.26Å; D451-Y454 WeakPolarHBondContact OD1-CE2 3.5Å; D451-Y454 PolarHBondContact OD1-OH 3.32Å; D451-Y454 PolarHBondContact OD2-OH 3.31Å; D451-R571 WeakPolarHBondContact OD2-CB 3.28Å; D451-R571 PolarHBondContact OD2-N 2.93Å
452	G	92.1	Very high	95.8	Very high	28 Å²	28	29.2 Å²	29.2	29%	0.289	15%	0.148	S	C	.	.	S	Bend	trans	163.1	-160.6	177.4	0	0	0	0	0	114	A449	A449-G452 PolarHBondContact N-O 3.28Å
453	H	93.8	Very high	95.7	Very high	115 Å²	115	31.4 Å²	31.4	53%	0.532	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.7	170.7	-68.4	78.6	0	0	0	109.4	K446 V447	K446-H453 HydrophobicContact CG-CB 4.43Å; V447-H453 CarbonylContact O-C 3.58Å; V447-H453 VanDerWaalsContact O-CA 3.32Å; V447-H453 WeakPolarHBondContact O-CA 3.33Å
454	Y	96	Very high	95.5	Very high	22 Å²	22	31.4 Å²	31.4	9%	0.086	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.1	178.6	-69.6	-93.1	0	0	0	109.9	K446 V447 A449 D451 I472 P541 V570	K446-Y454 WeakPolarHBondContact CA-O 3.43Å; V447-Y454 PolarHBondContact N-O 3.03Å; V447-Y454 PolarHBondContact O-N 3.27Å; A449-Y454 HydrophobicContact CB-CD2 3.73Å; A449-Y454 HydrophobicContact CB-CE2 3.79Å; D451-Y454 VanDerWaalsContact OD1-CE2 3.26Å; D451-Y454 WeakPolarHBondContact OD1-CE2 3.5Å; D451-Y454 PolarHBondContact OD1-OH 3.32Å; D451-Y454 PolarHBondContact OD2-OH 3.31Å; Y454-I472 HydrophobicContact CE1-CG1 4.12Å; Y454-P541 HydrophobicContact CD2-CB 4.4Å; Y454-P541 HydrophobicContact CD2-CG 4.29Å; Y454-P541 HydrophobicContact CG-CB 4.48Å; Y454-P541 HydrophobicContact CG-CG 3.96Å; Y454-V570 HydrophobicContact CD1-CG1 3.65Å; Y454-V570 HydrophobicContact CD2-CB 4.43Å; Y454-V570 HydrophobicContact CD2-CG1 4.03Å; Y454-V570 HydrophobicContact CE1-CB 4.15Å; Y454-V570 HydrophobicContact CE1-CG1 3.37Å; Y454-V570 HydrophobicContact CE2-CB 3.88Å; Y454-V570 HydrophobicContact CE2-CG1 3.8Å; Y454-V570 HydrophobicContact CE2-CG2 4.31Å; Y454-V570 HydrophobicContact CG-CG1 3.97Å; Y454-V570 VanDerWaalsContact CZ-CG1 3.46Å
455	H	97.1	Very high	95.4	Very high	32 Å²	32	31.3 Å²	31.3	15%	0.148	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.4	164.5	-57.4	112.7	0	0	0	107.6	E329 F331 V444 D445	E329-H455 IonicContact OE2-NE2 2.78Å; E329-H455 PolarHBondContact OE2-NE2 2.87Å; F331-H455 HydrophobicContact CZ-CB 4.35Å; F331-H455 AromaticContact CZ-CD2 3.94Å; F331-H455 AromaticContact CZ-CG 3.95Å; V444-H455 HydrophobicContact CG1-CB 4.02Å; D445-H455 WeakPolarHBondContact O-CA 3.36Å
456	V	98.1	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.6	172	-173.9	0	0	0	0	107.7	V444 D445 V447 Y458 K468 I470 P541 Y542	V444-V456 WeakPolarHBondContact CA-O 3.35Å; D445-V456 PolarHBondContact N-O 2.88Å; D445-V456 PolarHBondContact O-N 3.14Å; V447-V456 HydrophobicContact CB-CG2 4.28Å; V447-V456 HydrophobicContact CG2-CB 4.39Å; V447-V456 HydrophobicContact CG2-CG2 3.61Å; V456-Y458 HydrophobicContact CB-CE2 4.31Å; V456-Y458 HydrophobicContact CG1-CE1 4.48Å; V456-Y458 HydrophobicContact CG1-CE2 3.86Å; V456-K468 HydrophobicContact CG1-CD 4.49Å; V456-K468 HydrophobicContact CG1-CG 3.81Å; V456-I470 HydrophobicContact CB-CG2 4.3Å; V456-I470 HydrophobicContact CG1-CG2 4.31Å; V456-I470 HydrophobicContact CG2-CG2 3.81Å; V456-P541 HydrophobicContact CG2-CB 4.47Å; V456-P541 HydrophobicContact CG2-CG 4Å; V456-Y542 HydrophobicContact CB-CE2 4.25Å; V456-Y542 HydrophobicContact CG1-CE2 4.13Å; V456-Y542 HydrophobicContact CG2-CE2 3.91Å
457	L	98.6	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.6	-179.3	-56.8	81.1	0	0	0	109	V346 I428 I442 I459 K468 V469 T471	V346-L457 HydrophobicContact CB-CD2 4.49Å; V346-L457 HydrophobicContact CG1-CD2 4.07Å; I428-L457 HydrophobicContact CD1-CD2 4.03Å; I442-L457 HydrophobicContact CD1-CD2 4.26Å; L457-I459 HydrophobicContact CB-CD1 4.36Å; L457-I459 HydrophobicContact CB-CG1 4.26Å; L457-I459 HydrophobicContact CD2-CD1 4.43Å; L457-K468 CarbonylContact O-C 3.59Å; L457-K468 WeakPolarHBondContact O-CA 3.17Å; L457-V469 HydrophobicContact CB-CB 4.4Å; L457-V469 WeakPolarHBondContact CD1-O 3.03Å; L457-V469 PolarHBondContact N-O 2.98Å; L457-V469 PolarHBondContact O-N 2.83Å; L457-T471 HydrophobicContact CD1-CG2 4.1Å
458	Y	98.7	Very high	95.7	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	108.2	170.9	-63.1	-83.1	0	0	0	108.2	I442 A443 V456 V466 L467 K468 I502 L509 L522 Y542	I442-Y458 WeakPolarHBondContact CA-O 3.49Å; A443-Y458 PolarHBondContact N-O 2.76Å; A443-Y458 PolarHBondContact O-N 2.88Å; V456-Y458 HydrophobicContact CB-CE2 4.31Å; V456-Y458 HydrophobicContact CG1-CE1 4.48Å; V456-Y458 HydrophobicContact CG1-CE2 3.86Å; Y458-V466 HydrophobicContact CD1-CG1 4.32Å; Y458-L467 CarbonylContact C-O 3.55Å; Y458-L467 WeakPolarHBondContact CA-O 3.07Å; Y458-K468 HydrophobicContact CD1-CB 4.22Å; Y458-K468 HydrophobicContact CD1-CG 4.16Å; Y458-K468 HydrophobicContact CE1-CB 4.17Å; Y458-K468 HydrophobicContact CE1-CD 3.89Å; Y458-K468 HydrophobicContact CE1-CG 3.71Å; Y458-I502 HydrophobicContact CD2-CD1 3.97Å; Y458-I502 HydrophobicContact CE2-CD1 3.85Å; Y458-L509 HydrophobicContact CD1-CD1 3.42Å; Y458-L509 VanDerWaalsContact CD1-CD1 3.42Å; Y458-L509 HydrophobicContact CD1-CD2 4.49Å; Y458-L509 HydrophobicContact CD1-CG 4.38Å; Y458-L509 HydrophobicContact CD2-CD1 4.48Å; Y458-L509 HydrophobicContact CD2-CD2 4.08Å; Y458-L509 HydrophobicContact CE1-CD1 3.87Å; Y458-L509 HydrophobicContact CG-CD1 3.74Å; Y458-L509 HydrophobicContact CG-CD2 4.02Å; Y458-L509 HydrophobicContact CG-CG 4.4Å; Y458-L522 HydrophobicContact CD2-CD2 4.45Å; Y458-L522 HydrophobicContact CE1-CD2 4.08Å; Y458-L522 HydrophobicContact CE2-CD2 3.66Å; Y458-L522 VanDerWaalsContact CZ-CD2 3.43Å; Y458-L522 WeakPolarHBondContact OH-CB 3.27Å; Y458-L522 WeakPolarHBondContact OH-CD2 3.4Å; Y458-L522 PolarHBondContact OH-O 3.36Å; Y458-Y542 WeakPolarHBondContact OH-CE2 3.33Å; Y458-Y542 PolarHBondContact OH-OH 2.87Å
459	I	98.4	Very high	95.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.2	-171.8	-56.6	175.2	0	0	0	109.3	V346 L429 L439 Q441 I442 L457 V466 L467	V346-I459 HydrophobicContact CG2-CD1 4.17Å; L429-I459 HydrophobicContact CD1-CD1 3.69Å; L439-I459 HydrophobicContact CB-CG2 3.92Å; L439-I459 HydrophobicContact CD1-CG2 4.07Å; L439-I459 HydrophobicContact CD2-CG2 3.89Å; L439-I459 HydrophobicContact CG-CG2 4.16Å; Q441-I459 CarbonylContact O-C 3.58Å; Q441-I459 WeakPolarHBondContact O-CA 3.44Å; I442-I459 HydrophobicContact CG1-CG1 4.36Å; L457-I459 HydrophobicContact CB-CD1 4.36Å; L457-I459 HydrophobicContact CB-CG1 4.26Å; L457-I459 HydrophobicContact CD2-CD1 4.43Å; I459-V466 CarbonylContact O-C 3.53Å; I459-V466 WeakPolarHBondContact O-CA 2.92Å; I459-L467 HydrophobicContact CB-CB 4.39Å; I459-L467 PolarHBondContact N-O 3.33Å; I459-L467 PolarHBondContact O-N 3.32Å
460	G	98.1	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	153	175.4	0	0	0	0	0	112.6	L439 T440 Q441	L439-G460 WeakPolarHBondContact CA-O 3.32Å; T440-G460 PolarHBondContact N-O 2.84Å; T440-G460 PolarHBondContact OG1-O 3.39Å; Q441-G460 PolarHBondContact O-N 3.1Å
461	T	96.7	Very high	96.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	171.9	179.3	67.3	0	0	0	0	113.6	R437 K438 L439 D463 V465 L467 I497	R437-T461 HydrophobicContact CB-CG2 4.04Å; K438-T461 CarbonylContact O-C 3.5Å; K438-T461 WeakPolarHBondContact O-CA 3.49Å; K438-T461 WeakPolarHBondContact O-CB 3.21Å; L439-T461 HydrophobicContact CD2-CG2 4.17Å; T461-D463 VanDerWaalsContact CB-OD1 3.27Å; T461-D463 WeakPolarHBondContact CB-OD1 3.19Å; T461-D463 PolarHBondContact O-N 3Å; T461-D463 PolarHBondContact OG1-N 2.98Å; T461-D463 PolarHBondContact OG1-OD1 3.25Å; T461-V465 HydrophobicContact CG2-CB 4.19Å; T461-V465 PolarHBondContact N-O 2.95Å; T461-V465 WeakPolarHBondContact OG1-CA 3.19Å; T461-V465 VanDerWaalsContact OG1-CB 3.32Å; T461-V465 WeakPolarHBondContact OG1-CB 3.35Å; T461-V465 PolarHBondContact OG1-N 2.85Å; T461-V465 PolarHBondContact OG1-O 3.46Å; T461-V465 VanDerWaalsContact OG1-O 3.09Å; T461-L467 HydrophobicContact CG2-CD1 4.43Å; T461-L467 HydrophobicContact CG2-CG 4.38Å; T461-I497 PolarHBondContact O-N 3.19Å
462	D	95.1	Very high	96.3	Very high	51 Å²	51	16.6 Å²	16.6	27%	0.273	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.4	173.7	64.5	-28.4	0	0	0	114.7	K438 T440 A495 P496	K438-D462 HydrophobicContact CB-CB 3.96Å; K438-D462 VanDerWaalsContact CB-CG 3.47Å; K438-D462 WeakPolarHBondContact CB-OD2 3.07Å; K438-D462 WeakPolarHBondContact CD-OD2 3.47Å; K438-D462 WeakPolarHBondContact CG-OD2 3.28Å; K438-D462 PolarHBondContact N-OD1 2.7Å; K438-D462 PolarHBondContact O-N 3.34Å; T440-D462 HydrophobicContact CG2-CB 4.33Å; D462-A495 CarbonylContact O-C 3.5Å; D462-A495 VanDerWaalsContact O-C 3.26Å; D462-P496 WeakPolarHBondContact O-CA 3.13Å
463	D	94.8	Very high	96.1	Very high	47 Å²	47	18.1 Å²	18.1	25%	0.251	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	30	-177.1	71.4	-24.2	0	0	0	113.8	R437 T461 V465 P494	R437-D463 VanDerWaalsContact CD-OD1 3.22Å; R437-D463 WeakPolarHBondContact CD-OD1 3.13Å; R437-D463 WeakPolarHBondContact CD-OD2 3.2Å; R437-D463 IonicContact CZ-OD2 3.43Å; R437-D463 IonicContact NE-OD1 3.51Å; R437-D463 PolarHBondContact NE-OD1 3.39Å; R437-D463 IonicContact NE-OD2 2.8Å; R437-D463 PolarHBondContact NE-OD2 2.86Å; T461-D463 VanDerWaalsContact CB-OD1 3.27Å; T461-D463 WeakPolarHBondContact CB-OD1 3.19Å; T461-D463 PolarHBondContact O-N 3Å; T461-D463 PolarHBondContact OG1-N 2.98Å; T461-D463 PolarHBondContact OG1-OD1 3.25Å; D463-V465 VanDerWaalsContact C-N 3.31Å; D463-V465 PolarHBondContact O-N 3.26Å; D463-P494 HydrophobicContact CB-CB 4.48Å
464	S	94.8	Very high	95.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	65.2	25.5	176.5	-71.3	0	0	0	0	115.6	I490 V493 A495	S464-I490 WeakPolarHBondContact O-CB 3.01Å; S464-I490 PolarHBondContact O-N 3.35Å; S464-V493 PolarHBondContact OG-O 3.43Å; S464-A495 WeakPolarHBondContact CA-O 3.41Å; S464-A495 PolarHBondContact N-O 2.95Å; S464-A495 PolarHBondContact OG-N 2.82Å; S464-A495 PolarHBondContact OG-O 2.62Å
465	V	96.9	Very high	95.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139	178	178.3	0	0	0	0	110.7	T461 D463 L467 E487 L488 I497	T461-V465 HydrophobicContact CG2-CB 4.19Å; T461-V465 PolarHBondContact N-O 2.95Å; T461-V465 WeakPolarHBondContact OG1-CA 3.19Å; T461-V465 VanDerWaalsContact OG1-CB 3.32Å; T461-V465 WeakPolarHBondContact OG1-CB 3.35Å; T461-V465 PolarHBondContact OG1-N 2.85Å; T461-V465 PolarHBondContact OG1-O 3.46Å; T461-V465 VanDerWaalsContact OG1-O 3.09Å; D463-V465 VanDerWaalsContact C-N 3.31Å; D463-V465 PolarHBondContact O-N 3.26Å; V465-L467 HydrophobicContact CG1-CD2 3.86Å; V465-E487 HydrophobicContact CG1-CG 3.46Å; V465-E487 VanDerWaalsContact CG1-CG 3.46Å; V465-L488 CarbonylContact C-O 3.57Å; V465-L488 VanDerWaalsContact CA-O 3.31Å; V465-L488 WeakPolarHBondContact CA-O 3.38Å; V465-I497 WeakPolarHBondContact O-CD1 3.36Å
466	V	98.3	Very high	94.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123	164.8	174.5	0	0	0	0	109	Y458 I459 L488 I490 I497 I500 L509 V511	Y458-V466 HydrophobicContact CD1-CG1 4.32Å; I459-V466 CarbonylContact O-C 3.53Å; I459-V466 WeakPolarHBondContact O-CA 2.92Å; V466-L488 HydrophobicContact CB-CB 4.41Å; V466-L488 PolarHBondContact N-O 3.33Å; V466-L488 PolarHBondContact O-N 3.38Å; V466-I490 HydrophobicContact CB-CD1 4.18Å; V466-I490 HydrophobicContact CB-CG1 4.15Å; V466-I490 HydrophobicContact CG2-CD1 4.07Å; V466-I490 HydrophobicContact CG2-CG1 3.63Å; V466-I497 HydrophobicContact CG2-CD1 3.55Å; V466-I500 HydrophobicContact CG2-CD1 4.33Å; V466-L509 HydrophobicContact CG1-CD1 4.34Å; V466-V511 HydrophobicContact CG2-CG1 4.26Å; V466-V511 HydrophobicContact CG2-CG2 4.1Å
467	L	97.6	Very high	94.4	Very high	16 Å²	16	31 Å²	31	8%	0.084	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.8	172.7	-54.8	178.4	0	0	0	108.9	L439 Y458 I459 T461 V465 V469 L484 E487	L439-L467 HydrophobicContact CD2-CD1 4.18Å; Y458-L467 CarbonylContact C-O 3.55Å; Y458-L467 WeakPolarHBondContact CA-O 3.07Å; I459-L467 HydrophobicContact CB-CB 4.39Å; I459-L467 PolarHBondContact N-O 3.33Å; I459-L467 PolarHBondContact O-N 3.32Å; T461-L467 HydrophobicContact CG2-CD1 4.43Å; T461-L467 HydrophobicContact CG2-CG 4.38Å; V465-L467 HydrophobicContact CG1-CD2 3.86Å; L467-V469 HydrophobicContact CB-CG2 4.16Å; L467-L484 HydrophobicContact CB-CD1 3.89Å; L467-L484 HydrophobicContact CD2-CD1 4.12Å; L467-L484 HydrophobicContact CG-CD1 4.48Å; L467-E487 HydrophobicContact CD2-CB 4.32Å; L467-E487 HydrophobicContact CD2-CG 3.9Å
468	K	98.1	Very high	93.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.1	171.4	-177.9	-177.1	171.2	-178.9	0	108.8	V456 L457 Y458 L485 E486 L522 D540	V456-K468 HydrophobicContact CG1-CD 4.49Å; V456-K468 HydrophobicContact CG1-CG 3.81Å; L457-K468 CarbonylContact O-C 3.59Å; L457-K468 WeakPolarHBondContact O-CA 3.17Å; Y458-K468 HydrophobicContact CD1-CB 4.22Å; Y458-K468 HydrophobicContact CD1-CG 4.16Å; Y458-K468 HydrophobicContact CE1-CB 4.17Å; Y458-K468 HydrophobicContact CE1-CD 3.89Å; Y458-K468 HydrophobicContact CE1-CG 3.71Å; K468-L485 HydrophobicContact CD-CB 4.42Å; K468-L485 HydrophobicContact CD-CD1 4.46Å; K468-L485 HydrophobicContact CG-CB 4.33Å; K468-L485 HydrophobicContact CG-CD1 4.32Å; K468-L485 WeakPolarHBondContact O-CB 3.39Å; K468-L485 PolarHBondContact O-N 2.98Å; K468-E486 HydrophobicContact CB-CB 3.97Å; K468-E486 HydrophobicContact CD-CB 4.3Å; K468-E486 HydrophobicContact CD-CG 4.1Å; K468-E486 WeakPolarHBondContact CD-OE1 3.32Å; K468-E486 PolarHBondContact N-O 3.42Å; K468-E486 IonicContact NZ-OE1 3.16Å; K468-E486 PolarHBondContact NZ-OE1 2.84Å; K468-E486 PolarHBondContact O-N 2.9Å; K468-L522 PolarHBondContact NZ-O 2.94Å; K468-D540 IonicContact NZ-OD1 3.19Å; K468-D540 PolarHBondContact NZ-OD1 2.94Å; K468-D540 IonicContact NZ-OD2 2.83Å; K468-D540 PolarHBondContact NZ-OD2 3.36Å
469	V	97	Very high	93.1	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.8	-171.5	-171.8	0	0	0	0	109.9	L429 L457 L467 V483 L484	L429-V469 HydrophobicContact CD1-CB 4.36Å; L429-V469 HydrophobicContact CD1-CG1 3.93Å; L429-V469 HydrophobicContact CD1-CG2 4.32Å; L457-V469 HydrophobicContact CB-CB 4.4Å; L457-V469 WeakPolarHBondContact CD1-O 3.03Å; L457-V469 PolarHBondContact N-O 2.98Å; L457-V469 PolarHBondContact O-N 2.83Å; L467-V469 HydrophobicContact CB-CG2 4.16Å; V469-V483 WeakPolarHBondContact CA-O 3.45Å; V469-L484 HydrophobicContact CG2-CD1 3.59Å
470	I	96.4	Very high	92.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154.8	162	61.4	172.1	0	0	0	109.4	V456 I472 V483 L485 R539 P541 V570	V456-I470 HydrophobicContact CB-CG2 4.3Å; V456-I470 HydrophobicContact CG1-CG2 4.31Å; V456-I470 HydrophobicContact CG2-CG2 3.81Å; I470-I472 HydrophobicContact CD1-CD1 4.25Å; I470-V483 HydrophobicContact CD1-CB 4.28Å; I470-V483 HydrophobicContact CG1-CB 3.69Å; I470-V483 HydrophobicContact CG1-CG1 4.39Å; I470-V483 HydrophobicContact CG1-CG2 4.26Å; I470-V483 PolarHBondContact N-O 2.9Å; I470-V483 PolarHBondContact O-N 3.14Å; I470-L485 HydrophobicContact CD1-CD2 4.42Å; I470-L485 HydrophobicContact CG1-CD1 4.35Å; I470-L485 HydrophobicContact CG1-CD2 4.46Å; I470-L485 HydrophobicContact CG1-CG 4.42Å; I470-L485 HydrophobicContact CG2-CD1 3.8Å; I470-R539 WeakPolarHBondContact CD1-O 3.48Å; I470-P541 HydrophobicContact CG2-CG 4.01Å; I470-V570 HydrophobicContact CD1-CG1 3.54Å
471	T	93.3	Very high	92.3	Very high	18 Å²	18	42.5 Å²	42.5	11%	0.11	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135	176.6	61.8	0	0	0	0	109.1	I428 L457 V480 E481	I428-T471 HydrophobicContact CB-CG2 4.41Å; I428-T471 WeakPolarHBondContact O-CG2 3.19Å; L457-T471 HydrophobicContact CD1-CG2 4.1Å; T471-V480 HydrophobicContact CG2-CG1 4.46Å; T471-E481 CarbonylContact C-O 3.55Å; T471-E481 WeakPolarHBondContact CA-O 3.15Å
472	I	91.9	Very high	92.1	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	110.2	-175.9	-60.7	166.1	0	0	0	107.3	Y454 I470 E481 V483 R571	Y454-I472 HydrophobicContact CE1-CG1 4.12Å; I470-I472 HydrophobicContact CD1-CD1 4.25Å; I472-E481 HydrophobicContact CB-CB 4.28Å; I472-E481 PolarHBondContact N-O 3.3Å; I472-E481 PolarHBondContact O-N 3.41Å; I472-V483 HydrophobicContact CD1-CG2 3.94Å; I472-R571 HydrophobicContact CG2-CG 3.91Å
473	Y	89.4	Confident	92	Very high	61 Å²	61	42.3 Å²	42.3	24%	0.239	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.8	175.6	-179.7	-118.3	0	0	0	110.5	H424 K475 D478 V480	H424-Y473 AromaticContact CD2-CE1 3.99Å; H424-Y473 AromaticContact CE1-CD1 3.81Å; H424-Y473 AromaticContact CE1-CE1 3.32Å; H424-Y473 WeakPolarHBondContact CE1-CE1 3.32Å; H424-Y473 AromaticContact CE1-CZ 3.72Å; H424-Y473 AromaticContact CG-CZ 3.94Å; H424-Y473 AromaticContact ND1-CE1 3.84Å; H424-Y473 AromaticContact ND1-CZ 3.75Å; H424-Y473 AromaticContact NE2-CD1 3.38Å; H424-Y473 WeakPolarHBondContact NE2-CD1 3.31Å; H424-Y473 AromaticContact NE2-CE1 3.39Å; H424-Y473 WeakPolarHBondContact NE2-CE1 3.22Å; H424-Y473 AromaticContact NE2-CG 3.84Å; H424-Y473 AromaticContact NE2-CZ 3.87Å; Y473-K475 HydrophobicContact CD1-CG 3.92Å; Y473-K475 HydrophobicContact CE1-CB 4.39Å; Y473-K475 HydrophobicContact CE1-CG 3.64Å; Y473-D478 WeakPolarHBondContact CE2-OD1 3.42Å; Y473-D478 PolarHBondContact OH-OD1 3.31Å; Y473-V480 HydrophobicContact CD2-CG2 3.93Å
474	N	87.9	Confident	92	Very high	48 Å²	48	41.1 Å²	41.1	26%	0.257	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.6	171.5	-171.5	-9.5	0	0	0	109.5	D476 T477 D478 T479	N474-D476 VanDerWaalsContact C-N 3.32Å; N474-D476 PolarHBondContact O-N 2.68Å; N474-D476 PolarHBondContact OD1-N 3.25Å; N474-D476 VanDerWaalsContact OD1-N 3.1Å; N474-T477 WeakPolarHBondContact CB-OG1 3.38Å; N474-T477 PolarHBondContact ND2-OG1 2.81Å; N474-D478 VanDerWaalsContact O-CA 3.26Å; N474-D478 WeakPolarHBondContact O-CA 3.39Å; N474-D478 PolarHBondContact O-N 3.45Å; N474-T479 PolarHBondContact N-O 2.86Å; N474-T479 PolarHBondContact O-N 2.04Å
475	K	85.3	Confident	92	Very high	163 Å²	163	41.2 Å²	41.2	71%	0.709	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-34	-179.7	-68.9	-177.7	176.3	-175.3	0	113	Y473	Y473-K475 HydrophobicContact CD1-CG 3.92Å; Y473-K475 HydrophobicContact CE1-CB 4.39Å; Y473-K475 HydrophobicContact CE1-CG 3.64Å
476	D	87.8	Confident	92	Very high	149 Å²	149	41.5 Å²	41.5	80%	0.797	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-36.5	-172.4	-57.3	-41	0	0	0	111.4	N474	N474-D476 VanDerWaalsContact C-N 3.32Å; N474-D476 PolarHBondContact O-N 2.68Å; N474-D476 PolarHBondContact OD1-N 3.25Å; N474-D476 VanDerWaalsContact OD1-N 3.1Å
477	T	86.8	Confident	91.9	Very high	80 Å²	80	41.7 Å²	41.7	49%	0.491	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7	177.8	55.3	0	0	0	0	113	N474 T479	N474-T477 WeakPolarHBondContact CB-OG1 3.38Å; N474-T477 PolarHBondContact ND2-OG1 2.81Å; T477-T479 WeakPolarHBondContact O-CG2 3.47Å; T477-T479 PolarHBondContact O-N 2.8Å; T477-T479 PolarHBondContact OG1-OG1 2.83Å
478	D	84.4	Confident	91.9	Very high	66 Å²	66	41 Å²	41	35%	0.353	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	38.3	-172.7	-167.8	38	0	0	0	113.2	R426 Y473 N474	R426-D478 IonicContact CZ-OD1 3.87Å; R426-D478 IonicContact CZ-OD2 3.56Å; R426-D478 VanDerWaalsContact NH1-CG 3.25Å; R426-D478 PolarHBondContact NH1-O 3.31Å; R426-D478 IonicContact NH1-OD1 2.68Å; R426-D478 PolarHBondContact NH1-OD1 2.74Å; R426-D478 IonicContact NH1-OD2 2.85Å; R426-D478 PolarHBondContact NH1-OD2 2.94Å; R426-D478 IonicContact NH2-OD1 3.26Å; R426-D478 PolarHBondContact NH2-OD1 2.95Å; R426-D478 IonicContact NH2-OD2 3.74Å; R426-D478 PolarHBondContact NH2-OD2 2.98Å; Y473-D478 WeakPolarHBondContact CE2-OD1 3.42Å; Y473-D478 PolarHBondContact OH-OD1 3.31Å; N474-D478 VanDerWaalsContact O-CA 3.26Å; N474-D478 WeakPolarHBondContact O-CA 3.39Å; N474-D478 PolarHBondContact O-N 3.45Å
479	T	87	Confident	91.8	Very high	72 Å²	72	43.5 Å²	43.5	44%	0.442	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.4	-178.2	59.6	0	0	0	0	111.7	N474 T477	N474-T479 PolarHBondContact N-O 2.86Å; N474-T479 PolarHBondContact O-N 2.04Å; T477-T479 WeakPolarHBondContact O-CG2 3.47Å; T477-T479 PolarHBondContact O-N 2.8Å; T477-T479 PolarHBondContact OG1-OG1 2.83Å
480	V	88.9	Confident	91.8	Very high	27 Å²	27	43.3 Å²	43.3	16%	0.164	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.8	170.4	-178.5	0	0	0	0	108.6	I428 T471 Y473	I428-V480 WeakPolarHBondContact O-CG1 3.2Å; T471-V480 HydrophobicContact CG2-CG1 4.46Å; Y473-V480 HydrophobicContact CD2-CG2 3.93Å
481	E	90.6	Very high	91.7	Very high	77 Å²	77	43.7 Å²	43.7	36%	0.36	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.2	168.9	-176.4	-167.9	172.4	0	0	109.2	T471 I472 V483 R539	T471-E481 CarbonylContact C-O 3.55Å; T471-E481 WeakPolarHBondContact CA-O 3.15Å; I472-E481 HydrophobicContact CB-CB 4.28Å; I472-E481 PolarHBondContact N-O 3.3Å; I472-E481 PolarHBondContact O-N 3.41Å; E481-V483 HydrophobicContact CG-CG2 4.11Å; E481-R539 IonicContact OE1-CZ 2.91Å; E481-R539 VanDerWaalsContact OE1-CZ 3.29Å; E481-R539 IonicContact OE1-NH1 2.98Å; E481-R539 PolarHBondContact OE1-NH1 3.45Å; E481-R539 IonicContact OE1-NH2 3.7Å; E481-R539 PolarHBondContact OE1-NH2 2.91Å; E481-R539 IonicContact OE2-NH2 3.25Å; E481-R539 PolarHBondContact OE2-NH2 3.03Å
482	E	91.3	Very high	91.6	Very high	45 Å²	45	51.1 Å²	51.1	21%	0.21	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.2	173.5	-61.3	174.2	-169.5	0	0	109.5	L429 L430	L429-E482 WeakPolarHBondContact CA-OE1 3.21Å; L430-E482 PolarHBondContact N-OE1 3.15Å
483	V	92.9	Very high	91.5	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	105.6	178.5	-171.4	0	0	0	0	109.2	V469 I470 I472 E481 L485	V469-V483 WeakPolarHBondContact CA-O 3.45Å; I470-V483 HydrophobicContact CD1-CB 4.28Å; I470-V483 HydrophobicContact CG1-CB 3.69Å; I470-V483 HydrophobicContact CG1-CG1 4.39Å; I470-V483 HydrophobicContact CG1-CG2 4.26Å; I470-V483 PolarHBondContact N-O 2.9Å; I470-V483 PolarHBondContact O-N 3.14Å; I472-V483 HydrophobicContact CD1-CG2 3.94Å; E481-V483 HydrophobicContact CG-CG2 4.11Å; V483-L485 HydrophobicContact CG1-CD2 3.92Å; V483-L485 PolarHBondContact O-N 3.42Å
484	L	94.3	Very high	91.7	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.12	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	105.2	174.6	-179.6	61.2	0	0	0	109.8	P37 R38 L467 V469 Q615	P37-L484 WeakPolarHBondContact CA-O 3.47Å; P37-L484 HydrophobicContact CB-CD2 3.65Å; P37-L484 HydrophobicContact CB-CG 3.71Å; P37-L484 HydrophobicContact CG-CD2 4.19Å; R38-L484 PolarHBondContact N-O 3.46Å; L467-L484 HydrophobicContact CB-CD1 3.89Å; L467-L484 HydrophobicContact CD2-CD1 4.12Å; L467-L484 HydrophobicContact CG-CD1 4.48Å; V469-L484 HydrophobicContact CG2-CD1 3.59Å; L484-Q615 PolarHBondContact O-NE2 3.36Å; L484-Q615 VanDerWaalsContact O-NE2 3.1Å
485	L	95.7	Very high	91.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-54.6	-175.2	-60.1	176	0	0	0	111.7	R38 I39 K468 I470 V483 A538 R539 D540	R38-L485 WeakPolarHBondContact CB-O 3.3Å; R38-L485 PolarHBondContact N-O 3.38Å; I39-L485 PolarHBondContact N-O 3.2Å; I39-L485 VanDerWaalsContact N-O 3.14Å; K468-L485 HydrophobicContact CD-CB 4.42Å; K468-L485 HydrophobicContact CD-CD1 4.46Å; K468-L485 HydrophobicContact CG-CB 4.33Å; K468-L485 HydrophobicContact CG-CD1 4.32Å; K468-L485 WeakPolarHBondContact O-CB 3.39Å; K468-L485 PolarHBondContact O-N 2.98Å; I470-L485 HydrophobicContact CD1-CD2 4.42Å; I470-L485 HydrophobicContact CG1-CD1 4.35Å; I470-L485 HydrophobicContact CG1-CD2 4.46Å; I470-L485 HydrophobicContact CG1-CG 4.42Å; I470-L485 HydrophobicContact CG2-CD1 3.8Å; V483-L485 HydrophobicContact CG1-CD2 3.92Å; V483-L485 PolarHBondContact O-N 3.42Å; L485-A538 WeakPolarHBondContact CD2-O 3.3Å; L485-R539 HydrophobicContact CD2-CB 4.41Å; L485-D540 HydrophobicContact CD1-CB 4.32Å
486	E	96.3	Very high	92.4	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.2	-175.1	-58.7	170.1	-142.8	0	0	110.8	I39 R51 K468 L488 Y528	I39-E486 CarbonylContact O-C 3.5Å; I39-E486 WeakPolarHBondContact O-CA 3.47Å; R51-E486 IonicContact CZ-OE2 3.43Å; R51-E486 IonicContact NE-OE2 3.54Å; R51-E486 IonicContact NH2-OE1 3.75Å; R51-E486 IonicContact NH2-OE2 3.54Å; R51-E486 PolarHBondContact NH2-OE2 3.07Å; K468-E486 HydrophobicContact CB-CB 3.97Å; K468-E486 HydrophobicContact CD-CB 4.3Å; K468-E486 HydrophobicContact CD-CG 4.1Å; K468-E486 WeakPolarHBondContact CD-OE1 3.32Å; K468-E486 PolarHBondContact N-O 3.42Å; K468-E486 IonicContact NZ-OE1 3.16Å; K468-E486 PolarHBondContact NZ-OE1 2.84Å; K468-E486 PolarHBondContact O-N 2.9Å; E486-L488 HydrophobicContact CB-CD2 3.94Å; E486-L488 HydrophobicContact CB-CG 4.24Å; E486-Y528 PolarHBondContact OE1-OH 2.62Å
487	E	96.3	Very high	92.9	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.019	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.2	165.3	-175.4	-173.9	120.5	0	0	108.9	P37 I39 R40 L41 R437 V465 L467 H489	P37-E487 HydrophobicContact CB-CB 3.73Å; P37-E487 HydrophobicContact CG-CB 3.7Å; I39-E487 PolarHBondContact O-N 2.75Å; R40-E487 WeakPolarHBondContact CA-O 3.29Å; R40-E487 HydrophobicContact CB-CB 4.41Å; R40-E487 HydrophobicContact CG-CB 4.36Å; R40-E487 IonicContact CZ-OE1 3.82Å; R40-E487 IonicContact CZ-OE2 3.48Å; R40-E487 VanDerWaalsContact NE-CD 3.27Å; R40-E487 IonicContact NE-OE1 3.47Å; R40-E487 PolarHBondContact NE-OE1 2.03Å; R40-E487 IonicContact NE-OE2 3.34Å; R40-E487 PolarHBondContact NE-OE2 2.8Å; R40-E487 IonicContact NH2-OE1 3.68Å; R40-E487 IonicContact NH2-OE2 3.84Å; R40-E487 PolarHBondContact NH2-OE2 3.32Å; L41-E487 PolarHBondContact N-O 3.33Å; R437-E487 IonicContact CZ-OE1 2.72Å; R437-E487 IonicContact CZ-OE2 3.55Å; R437-E487 IonicContact NH1-OE1 2.79Å; R437-E487 PolarHBondContact NH1-OE1 3.03Å; R437-E487 IonicContact NH1-OE2 3.52Å; R437-E487 PolarHBondContact NH1-OE2 2.9Å; R437-E487 IonicContact NH2-OE1 3.94Å; R437-E487 PolarHBondContact NH2-OE1 2.84Å; R437-E487 IonicContact NH2-OE2 2.82Å; V465-E487 HydrophobicContact CG1-CG 3.46Å; V465-E487 VanDerWaalsContact CG1-CG 3.46Å; L467-E487 HydrophobicContact CD2-CB 4.32Å; L467-E487 HydrophobicContact CD2-CG 3.9Å; E487-H489 IonicContact OE1-CD2 3.55Å; E487-H489 IonicContact OE1-CE1 3.55Å; E487-H489 IonicContact OE1-NE2 3.15Å; E487-H489 PolarHBondContact OE1-NE2 3.09Å
488	L	97.6	Very high	93.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.5	-171.2	-51.4	177.7	0	0	0	110.8	L41 L46 V465 V466 E486 I490 V520	L41-L488 HydrophobicContact CB-CD2 4.19Å; L41-L488 HydrophobicContact CD1-CD2 3.83Å; L41-L488 HydrophobicContact CG-CD2 4.3Å; L46-L488 HydrophobicContact CD1-CB 4.32Å; L46-L488 HydrophobicContact CD2-CD2 3.91Å; V465-L488 CarbonylContact C-O 3.57Å; V465-L488 VanDerWaalsContact CA-O 3.31Å; V465-L488 WeakPolarHBondContact CA-O 3.38Å; V466-L488 HydrophobicContact CB-CB 4.41Å; V466-L488 PolarHBondContact N-O 3.33Å; V466-L488 PolarHBondContact O-N 3.38Å; E486-L488 HydrophobicContact CB-CD2 3.94Å; E486-L488 HydrophobicContact CB-CG 4.24Å; L488-I490 HydrophobicContact CB-CD1 3.68Å; L488-I490 PolarHBondContact O-N 3.26Å; L488-I490 VanDerWaalsContact O-N 3.16Å; L488-V520 HydrophobicContact CD1-CG1 4.12Å
489	H	97.1	Very high	93.8	Very high	54 Å²	54	41.3 Å²	41.3	25%	0.25	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	90.9	176.4	-73.2	-122.3	0	0	0	109.7	L41 H43 L46 E487	L41-H489 PolarHBondContact O-N 3.45Å; H43-H489 WeakPolarHBondContact CA-O 3.02Å; H43-H489 WeakPolarHBondContact CB-O 3.47Å; H43-H489 PolarHBondContact N-O 2.85Å; L46-H489 WeakPolarHBondContact CD1-O 3.41Å; E487-H489 IonicContact OE1-CD2 3.55Å; E487-H489 IonicContact OE1-CE1 3.55Å; E487-H489 IonicContact OE1-NE2 3.15Å; E487-H489 PolarHBondContact OE1-NE2 3.09Å
490	I	96.8	Very high	94.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.197	C	C	.	.			trans	-66.7	-51	-166.3	-57.7	-48.8	0	0	0	111.7	H43 L46 I54 S464 V466 L488 V511 A518 V520	H43-I490 PolarHBondContact ND1-O 2.75Å; L46-I490 HydrophobicContact CD1-CD1 4.17Å; I54-I490 WeakPolarHBondContact CD1-O 3.26Å; S464-I490 WeakPolarHBondContact O-CB 3.01Å; S464-I490 PolarHBondContact O-N 3.35Å; V466-I490 HydrophobicContact CB-CD1 4.18Å; V466-I490 HydrophobicContact CB-CG1 4.15Å; V466-I490 HydrophobicContact CG2-CD1 4.07Å; V466-I490 HydrophobicContact CG2-CG1 3.63Å; L488-I490 HydrophobicContact CB-CD1 3.68Å; L488-I490 PolarHBondContact O-N 3.26Å; L488-I490 VanDerWaalsContact O-N 3.16Å; I490-V511 HydrophobicContact CG2-CB 4.41Å; I490-V511 HydrophobicContact CG2-CG1 4.37Å; I490-A518 HydrophobicContact CG2-CB 3.3Å; I490-V520 HydrophobicContact CD1-CG1 4.42Å; I490-V520 HydrophobicContact CD1-CG2 3.89Å; I490-V520 HydrophobicContact CG2-CG2 4.49Å
491	F	94	Very high	94.8	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.039	20%	0.197	C	C	.	.			trans	-109.4	152.3	-177.5	-57.8	-78	0	0	0	111.4	I54 V511 S513 V515 G516 A518	I54-F491 HydrophobicContact CD1-CD1 3.97Å; I54-F491 HydrophobicContact CD1-CE1 4.32Å; I54-F491 HydrophobicContact CG2-CD1 4.14Å; I54-F491 HydrophobicContact CG2-CE1 3.84Å; F491-V511 HydrophobicContact CE2-CG1 4.29Å; F491-S513 VanDerWaalsContact CE2-CB 3.45Å; F491-V515 HydrophobicContact CB-CG2 3.77Å; F491-V515 HydrophobicContact CD1-CG2 3.42Å; F491-V515 VanDerWaalsContact CD1-CG2 3.42Å; F491-V515 HydrophobicContact CD2-CG2 3.72Å; F491-V515 HydrophobicContact CE1-CG2 3.84Å; F491-V515 HydrophobicContact CE2-CG2 4.13Å; F491-V515 HydrophobicContact CG-CG2 3.35Å; F491-V515 HydrophobicContact CZ-CG2 4.17Å; F491-G516 WeakPolarHBondContact CZ-O 3.32Å; F491-A518 HydrophobicContact CE1-CB 4.02Å; F491-A518 HydrophobicContact CZ-CB 3.87Å
492	K	91.4	Very high	95.1	Very high	174 Å²	174	35.8 Å²	35.8	76%	0.757	19%	0.185	S	C	*	.	S	Bend	trans	-68.7	-38	178	-175.9	-178.2	175.5	-173.1	0	112.6
493	V	90.8	Very high	95.4	Very high	90 Å²	90	33.7 Å²	33.7	55%	0.545	18%	0.175	S	C	.	.	S	Bend	trans	-95.7	126	-178.9	179.4	0	0	0	0	107.3	S464 A495 V515	S464-V493 PolarHBondContact OG-O 3.43Å; V493-A495 PolarHBondContact O-N 2.84Å; V493-A495 VanDerWaalsContact O-N 3.16Å; V493-V515 HydrophobicContact CB-CG1 4.33Å
494	P	92.6	Very high	95.5	Very high	100 Å²	100	36.1 Å²	36.1	65%	0.649	19%	0.191	S	C	*	.			trans	-59.7	118.4	174.3	-21.9	33.1	0	0	0	110	D463	D463-P494 HydrophobicContact CB-CB 4.48Å
495	A	93.1	Very high	95.4	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	22%	0.219	C	C	.	.			trans	-150.7	149.3	176.2	0	0	0	0	0	109.8	D462 S464 V493 I497 S513 E514 V515	D462-A495 CarbonylContact O-C 3.5Å; D462-A495 VanDerWaalsContact O-C 3.26Å; S464-A495 WeakPolarHBondContact CA-O 3.41Å; S464-A495 PolarHBondContact N-O 2.95Å; S464-A495 PolarHBondContact OG-N 2.82Å; S464-A495 PolarHBondContact OG-O 2.62Å; V493-A495 PolarHBondContact O-N 2.84Å; V493-A495 VanDerWaalsContact O-N 3.16Å; A495-I497 PolarHBondContact O-N 2.88Å; A495-S513 WeakPolarHBondContact CB-OG 3.3Å; A495-E514 HydrophobicContact CB-CG 3.92Å; A495-V515 HydrophobicContact CB-CG1 3.84Å; A495-V515 HydrophobicContact CB-CG2 4.44Å
496	P	95.4	Very high	95.4	Very high	52 Å²	52	45.7 Å²	45.7	34%	0.338	23%	0.23	S	C	.	.			trans	-62.6	136.5	-179.8	-24	33.9	0	0	0	112.4	D462 K498 S513	D462-P496 WeakPolarHBondContact O-CA 3.13Å; P496-K498 PolarHBondContact O-N 3.04Å; P496-S513 WeakPolarHBondContact O-CB 3.37Å; P496-S513 PolarHBondContact O-OG 3.43Å
497	I	97.1	Very high	95.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.2	166	-67	174.8	0	0	0	107.5	T440 Q441 T461 V465 V466 A495 I500 V511	T440-I497 WeakPolarHBondContact CB-O 3.44Å; T440-I497 PolarHBondContact OG1-O 3.5Å; Q441-I497 HydrophobicContact CB-CG2 4.3Å; Q441-I497 HydrophobicContact CG-CG2 4.22Å; T461-I497 PolarHBondContact O-N 3.19Å; V465-I497 WeakPolarHBondContact O-CD1 3.36Å; V466-I497 HydrophobicContact CG2-CD1 3.55Å; A495-I497 PolarHBondContact O-N 2.88Å; I497-I500 HydrophobicContact CG2-CD1 4.01Å; I497-I500 HydrophobicContact CG2-CG1 3.66Å; I497-V511 HydrophobicContact CB-CG1 4.46Å; I497-V511 HydrophobicContact CD1-CG1 3.81Å; I497-V511 HydrophobicContact CG1-CG1 3.92Å; I497-V511 HydrophobicContact CG2-CG1 3.75Å
498	K	95.3	Very high	95.4	Very high	86 Å²	86	47.9 Å²	47.9	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-26.6	-175.1	-65.6	-170.8	178.4	-179.2	0	113	Q441 P496 G512 E514	Q441-K498 VanDerWaalsContact CD-O 3.26Å; Q441-K498 PolarHBondContact OE1-O 3.34Å; P496-K498 PolarHBondContact O-N 3.04Å; K498-G512 PolarHBondContact N-O 3.09Å; K498-E514 IonicContact NZ-OE2 3.82Å
499	E	95.9	Very high	95.5	Very high	39 Å²	39	47.9 Å²	47.9	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	138.8	-178.4	-173.2	175.6	-158.6	0	0	111.2	T66 M67 I501 G512	T66-E499 WeakPolarHBondContact CA-OE2 3.43Å; M67-E499 WeakPolarHBondContact CB-OE2 3.26Å; M67-E499 HydrophobicContact CE-CB 3.86Å; M67-E499 HydrophobicContact CE-CG 3.82Å; M67-E499 WeakPolarHBondContact CG-OE2 3.47Å; M67-E499 PolarHBondContact N-OE1 2.96Å; M67-E499 PolarHBondContact N-OE2 3.22Å; E499-I501 HydrophobicContact CG-CG1 4.38Å; E499-G512 PolarHBondContact N-O 3Å; E499-G512 PolarHBondContact O-N 2.88Å
500	I	98.1	Very high	95.5	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.4	172.6	-58.9	178.2	0	0	0	109.1	Q441 A443 V466 I497 L509 Y510 V511	Q441-I500 HydrophobicContact CB-CB 4.47Å; Q441-I500 HydrophobicContact CB-CD1 3.88Å; Q441-I500 HydrophobicContact CB-CG1 3.87Å; A443-I500 HydrophobicContact CB-CB 4.35Å; A443-I500 HydrophobicContact CB-CG2 3.65Å; V466-I500 HydrophobicContact CG2-CD1 4.33Å; I497-I500 HydrophobicContact CG2-CD1 4.01Å; I497-I500 HydrophobicContact CG2-CG1 3.66Å; I500-L509 HydrophobicContact CG2-CD2 3.96Å; I500-Y510 WeakPolarHBondContact CA-O 3.44Å; I500-V511 HydrophobicContact CG1-CG1 4.44Å
501	I	97.8	Very high	95.6	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.159	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.9	171.1	-58.8	177.6	0	0	0	109.3	M67 L69 E499 L509 Y510	M67-I501 HydrophobicContact CB-CD1 3.52Å; M67-I501 HydrophobicContact CE-CD1 4.46Å; M67-I501 HydrophobicContact CE-CG1 4.41Å; M67-I501 WeakPolarHBondContact O-CD1 3.47Å; L69-I501 HydrophobicContact CB-CG2 3.77Å; L69-I501 HydrophobicContact CD2-CG2 3.91Å; L69-I501 HydrophobicContact CG-CG2 4.46Å; E499-I501 HydrophobicContact CG-CG1 4.38Å; I501-L509 CarbonylContact O-C 3.55Å; I501-L509 WeakPolarHBondContact O-CA 3.38Å; I501-Y510 PolarHBondContact N-O 3.28Å; I501-Y510 PolarHBondContact O-N 2.73Å
502	I	98.1	Very high	95.7	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.097	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.6	177.6	-171	166.5	0	0	0	111.6	F318 A443 D445 Y458 P504 L509 L522	F318-I502 HydrophobicContact CE2-CG2 3.78Å; F318-I502 HydrophobicContact CZ-CG2 3.64Å; A443-I502 HydrophobicContact CB-CB 4.09Å; A443-I502 HydrophobicContact CB-CG2 4.1Å; D445-I502 HydrophobicContact CB-CD1 3.74Å; Y458-I502 HydrophobicContact CD2-CD1 3.97Å; Y458-I502 HydrophobicContact CE2-CD1 3.85Å; I502-P504 HydrophobicContact CG1-CG 4.24Å; I502-L509 HydrophobicContact CB-CD2 3.76Å; I502-L509 HydrophobicContact CD1-CD2 3.95Å; I502-L509 HydrophobicContact CG1-CD2 3.76Å; I502-L522 HydrophobicContact CD1-CD1 4.22Å; I502-L522 HydrophobicContact CD1-CD2 3.82Å; I502-L522 HydrophobicContact CG1-CD1 4.36Å; I502-L522 HydrophobicContact CG1-CD2 4.05Å
503	S	97.2	Very high	95.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	94.6	164.8	172.9	0	0	0	0	109	E71 K505 R506 Q507 Q508	E71-S503 PolarHBondContact OE1-OG 2.65Å; S503-K505 PolarHBondContact O-N 2.95Å; S503-R506 PolarHBondContact O-N 3.4Å; S503-R506 VanDerWaalsContact OG-CB 3.25Å; S503-R506 WeakPolarHBondContact OG-CB 3.41Å; S503-R506 WeakPolarHBondContact OG-CG 3.16Å; S503-R506 PolarHBondContact OG-N 3.42Å; S503-Q507 WeakPolarHBondContact O-CA 3.17Å; S503-Q507 PolarHBondContact O-N 3.35Å; S503-Q508 PolarHBondContact N-O 3.15Å; S503-Q508 PolarHBondContact O-N 2.88Å; S503-Q508 VanDerWaalsContact O-N 3.12Å
504	P	94.6	Very high	95.9	Very high	53 Å²	53	35.9 Å²	35.9	34%	0.344	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.1	172.6	-25.2	36.3	0	0	0	111.3	I502 R506 Q507	I502-P504 HydrophobicContact CG1-CG 4.24Å; P504-R506 PolarHBondContact O-N 3.16Å; P504-Q507 PolarHBondContact O-N 3.15Å; P504-Q507 PolarHBondContact O-NE2 2.89Å
505	K	93.6	Very high	95.8	Very high	164 Å²	164	32.2 Å²	32.2	71%	0.713	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-40.6	178.3	-175.7	-177.9	179.4	178.2	0	113	E71 S503	E71-K505 WeakPolarHBondContact OE2-CD 3.42Å; S503-K505 PolarHBondContact O-N 2.95Å
506	R	94.8	Very high	95.8	Very high	61 Å²	61	32.1 Å²	32.1	23%	0.23	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.7	177.6	-64.1	-172.8	162.6	-86.2	-43.7	113.7	D90 S503 P504 Q508	D90-R506 IonicContact OD1-NH1 3.72Å; D90-R506 PolarHBondContact OD1-NH1 2.98Å; D90-R506 VanDerWaalsContact OD1-NH1 3.16Å; S503-R506 PolarHBondContact O-N 3.4Å; S503-R506 VanDerWaalsContact OG-CB 3.25Å; S503-R506 WeakPolarHBondContact OG-CB 3.41Å; S503-R506 WeakPolarHBondContact OG-CG 3.16Å; S503-R506 PolarHBondContact OG-N 3.42Å; P504-R506 PolarHBondContact O-N 3.16Å; R506-Q508 VanDerWaalsContact C-N 3.32Å; R506-Q508 HydrophobicContact CB-CB 4.43Å; R506-Q508 HydrophobicContact CB-CG 3.9Å; R506-Q508 WeakPolarHBondContact O-CG 3.49Å; R506-Q508 PolarHBondContact O-NE2 3.04Å
507	Q	95.7	Very high	95.8	Very high	31 Å²	31	29.7 Å²	29.7	15%	0.145	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	45.4	-172.3	-61.8	-71	-51	0	0	112.1	S503 P504 L522 Y542 R552	S503-Q507 WeakPolarHBondContact O-CA 3.17Å; S503-Q507 PolarHBondContact O-N 3.35Å; P504-Q507 PolarHBondContact O-N 3.15Å; P504-Q507 PolarHBondContact O-NE2 2.89Å; Q507-L522 VanDerWaalsContact C-CG 3.47Å; Q507-L522 HydrophobicContact CB-CD1 4.37Å; Q507-L522 PolarHBondContact O-N 3.43Å; Q507-Y542 VanDerWaalsContact OE1-CE1 3.31Å; Q507-R552 VanDerWaalsContact NE2-NH2 3.13Å
508	Q	97.4	Very high	95.8	Very high	24 Å²	24	29.6 Å²	29.6	11%	0.112	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.4	179.9	-54.2	-62.3	-41.5	0	0	112.2	S503 R506 Y510 V520	S503-Q508 PolarHBondContact N-O 3.15Å; S503-Q508 PolarHBondContact O-N 2.88Å; S503-Q508 VanDerWaalsContact O-N 3.12Å; R506-Q508 VanDerWaalsContact C-N 3.32Å; R506-Q508 HydrophobicContact CB-CB 4.43Å; R506-Q508 HydrophobicContact CB-CG 3.9Å; R506-Q508 WeakPolarHBondContact O-CG 3.49Å; R506-Q508 PolarHBondContact O-NE2 3.04Å; Q508-Y510 HydrophobicContact CB-CE2 4.15Å; Q508-V520 CarbonylContact C-O 3.58Å; Q508-V520 WeakPolarHBondContact CA-O 3.47Å
509	L	98.3	Very high	95.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	149.7	157.6	-65.6	170.8	0	0	0	109.9	A443 Y458 V466 I500 I501 I502 V511 Q519 V520 L522	A443-L509 HydrophobicContact CB-CD2 4.46Å; Y458-L509 HydrophobicContact CD1-CD1 3.42Å; Y458-L509 VanDerWaalsContact CD1-CD1 3.42Å; Y458-L509 HydrophobicContact CD1-CD2 4.49Å; Y458-L509 HydrophobicContact CD1-CG 4.38Å; Y458-L509 HydrophobicContact CD2-CD1 4.48Å; Y458-L509 HydrophobicContact CD2-CD2 4.08Å; Y458-L509 HydrophobicContact CE1-CD1 3.87Å; Y458-L509 HydrophobicContact CG-CD1 3.74Å; Y458-L509 HydrophobicContact CG-CD2 4.02Å; Y458-L509 HydrophobicContact CG-CG 4.4Å; V466-L509 HydrophobicContact CG1-CD1 4.34Å; I500-L509 HydrophobicContact CG2-CD2 3.96Å; I501-L509 CarbonylContact O-C 3.55Å; I501-L509 WeakPolarHBondContact O-CA 3.38Å; I502-L509 HydrophobicContact CB-CD2 3.76Å; I502-L509 HydrophobicContact CD1-CD2 3.95Å; I502-L509 HydrophobicContact CG1-CD2 3.76Å; L509-V511 HydrophobicContact CB-CG2 4.27Å; L509-Q519 CarbonylContact O-C 3.57Å; L509-Q519 WeakPolarHBondContact O-CA 3.19Å; L509-V520 HydrophobicContact CB-CB 4.27Å; L509-V520 PolarHBondContact N-O 2.64Å; L509-V520 PolarHBondContact O-N 3.42Å; L509-L522 HydrophobicContact CD1-CD2 4.3Å; L509-L522 HydrophobicContact CD2-CD2 3.81Å; L509-L522 HydrophobicContact CG-CD2 3.56Å
510	Y	98.4	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115	168	-56.1	-78.7	0	0	0	107.7	L69 L76 L89 V92 I500 I501 Q508 A518 Q519	L69-Y510 HydrophobicContact CD1-CD2 4.22Å; L69-Y510 HydrophobicContact CD1-CE2 3.72Å; L69-Y510 HydrophobicContact CD2-CE2 4.44Å; L76-Y510 HydrophobicContact CD1-CG 4.37Å; L76-Y510 HydrophobicContact CD2-CD1 3.73Å; L76-Y510 HydrophobicContact CD2-CG 3.94Å; L89-Y510 HydrophobicContact CD2-CE1 3.87Å; L89-Y510 HydrophobicContact CD2-CE2 4.18Å; L89-Y510 WeakPolarHBondContact CD2-OH 3.46Å; V92-Y510 HydrophobicContact CG1-CD1 4.12Å; V92-Y510 HydrophobicContact CG1-CE1 4.01Å; I500-Y510 WeakPolarHBondContact CA-O 3.44Å; I501-Y510 PolarHBondContact N-O 3.28Å; I501-Y510 PolarHBondContact O-N 2.73Å; Q508-Y510 HydrophobicContact CB-CE2 4.15Å; Y510-A518 CarbonylContact C-O 3.54Å; Y510-A518 VanDerWaalsContact CA-O 3.3Å; Y510-A518 WeakPolarHBondContact CA-O 3.12Å; Y510-Q519 HydrophobicContact CD1-CB 4.21Å; Y510-Q519 HydrophobicContact CD1-CG 4.34Å; Y510-Q519 HydrophobicContact CE1-CB 4.17Å; Y510-Q519 HydrophobicContact CE1-CG 3.86Å
511	V	98.2	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.1	-171.9	-176.6	0	0	0	0	108.6	V466 I490 F491 I497 I500 L509 V517 A518 V520	V466-V511 HydrophobicContact CG2-CG1 4.26Å; V466-V511 HydrophobicContact CG2-CG2 4.1Å; I490-V511 HydrophobicContact CG2-CB 4.41Å; I490-V511 HydrophobicContact CG2-CG1 4.37Å; F491-V511 HydrophobicContact CE2-CG1 4.29Å; I497-V511 HydrophobicContact CB-CG1 4.46Å; I497-V511 HydrophobicContact CD1-CG1 3.81Å; I497-V511 HydrophobicContact CG1-CG1 3.92Å; I497-V511 HydrophobicContact CG2-CG1 3.75Å; I500-V511 HydrophobicContact CG1-CG1 4.44Å; L509-V511 HydrophobicContact CB-CG2 4.27Å; V511-V517 CarbonylContact O-C 3.56Å; V511-V517 WeakPolarHBondContact O-CA 3.24Å; V511-A518 HydrophobicContact CB-CB 4.42Å; V511-A518 PolarHBondContact N-O 2.87Å; V511-A518 PolarHBondContact O-N 3.16Å; V511-V520 HydrophobicContact CG2-CG2 4.19Å
512	G	96.6	Very high	96	Very high	1 Å²	1	26 Å²	26	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.5	178.3	0	0	0	0	0	111.7	K498 E499	K498-G512 PolarHBondContact N-O 3.09Å; E499-G512 PolarHBondContact N-O 3Å; E499-G512 PolarHBondContact O-N 2.88Å
513	S	94.8	Very high	95.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164.4	169.2	-179.7	0	0	0	0	108.8	P64 F491 A495 P496 V515 G516	P64-S513 WeakPolarHBondContact CD-O 3.39Å; P64-S513 VanDerWaalsContact CG-O 3.32Å; P64-S513 WeakPolarHBondContact CG-O 3.25Å; F491-S513 VanDerWaalsContact CE2-CB 3.45Å; A495-S513 WeakPolarHBondContact CB-OG 3.3Å; P496-S513 WeakPolarHBondContact O-CB 3.37Å; P496-S513 PolarHBondContact O-OG 3.43Å; S513-V515 PolarHBondContact O-N 2.53Å; S513-G516 PolarHBondContact N-O 2.89Å; S513-G516 PolarHBondContact O-N 3Å
514	E	90.8	Very high	95.7	Very high	76 Å²	76	27.4 Å²	27.4	36%	0.355	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.5	-180	61.8	-172.8	-165.1	0	0	114.4	Q63 A495 K498	Q63-E514 HydrophobicContact CG-CB 4.45Å; Q63-E514 PolarHBondContact N-O 3.41Å; A495-E514 HydrophobicContact CB-CG 3.92Å; K498-E514 IonicContact NZ-OE2 3.82Å
515	V	90.4	Very high	95.7	Very high	23 Å²	23	25.1 Å²	25.1	14%	0.139	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-19	176.4	-63.6	0	0	0	0	114.3	Q56 F491 V493 A495 S513	Q56-V515 PolarHBondContact NE2-O 2.94Å; F491-V515 HydrophobicContact CB-CG2 3.77Å; F491-V515 HydrophobicContact CD1-CG2 3.42Å; F491-V515 VanDerWaalsContact CD1-CG2 3.42Å; F491-V515 HydrophobicContact CD2-CG2 3.72Å; F491-V515 HydrophobicContact CE1-CG2 3.84Å; F491-V515 HydrophobicContact CE2-CG2 4.13Å; F491-V515 HydrophobicContact CG-CG2 3.35Å; F491-V515 HydrophobicContact CZ-CG2 4.17Å; V493-V515 HydrophobicContact CB-CG1 4.33Å; A495-V515 HydrophobicContact CB-CG1 3.84Å; A495-V515 HydrophobicContact CB-CG2 4.44Å; S513-V515 PolarHBondContact O-N 2.53Å
516	G	93.4	Very high	95.6	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.4	-172.1	-176.7	0	0	0	0	0	115.1	F55 F491 S513	F55-G516 CarbonylContact O-C 3.5Å; F55-G516 WeakPolarHBondContact O-CA 3.13Å; F491-G516 WeakPolarHBondContact CZ-O 3.32Å; S513-G516 PolarHBondContact N-O 2.89Å; S513-G516 PolarHBondContact O-N 3Å
517	V	96.5	Very high	95.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.5	174.3	176.4	0	0	0	0	109.2	F55 L62 P64 M67 L76 V78 L87 V511	F55-V517 PolarHBondContact N-O 2.97Å; F55-V517 PolarHBondContact O-N 2.74Å; L62-V517 HydrophobicContact CD2-CG2 3.87Å; P64-V517 HydrophobicContact CB-CG2 4.41Å; P64-V517 HydrophobicContact CG-CG2 3.89Å; M67-V517 HydrophobicContact SD-CB 4.5Å; M67-V517 HydrophobicContact SD-CG1 3.86Å; M67-V517 HydrophobicContact SD-CG2 3.79Å; L76-V517 HydrophobicContact CD2-CG1 3.75Å; V78-V517 HydrophobicContact CG1-CG2 4.1Å; V78-V517 HydrophobicContact CG2-CG2 4.11Å; L87-V517 HydrophobicContact CD1-CB 4.37Å; L87-V517 HydrophobicContact CD1-CG1 4.35Å; V511-V517 CarbonylContact O-C 3.56Å; V511-V517 WeakPolarHBondContact O-CA 3.24Å
518	A	96.8	Very high	95.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.6	176.3	0	0	0	0	0	111.1	W53 I54 I490 F491 Y510 V511 V520	W53-A518 CarbonylContact O-C 3.49Å; W53-A518 WeakPolarHBondContact O-CA 3.37Å; I54-A518 HydrophobicContact CG1-CB 4.09Å; I490-A518 HydrophobicContact CG2-CB 3.3Å; F491-A518 HydrophobicContact CE1-CB 4.02Å; F491-A518 HydrophobicContact CZ-CB 3.87Å; Y510-A518 CarbonylContact C-O 3.54Å; Y510-A518 VanDerWaalsContact CA-O 3.3Å; Y510-A518 WeakPolarHBondContact CA-O 3.12Å; V511-A518 HydrophobicContact CB-CB 4.42Å; V511-A518 PolarHBondContact N-O 2.87Å; V511-A518 PolarHBondContact O-N 3.16Å; A518-V520 HydrophobicContact CB-CG2 4.2Å
519	Q	97.6	Very high	94.7	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.4	167.1	174.6	-176.8	1.7	0	0	108.2	T52 W53 L89 V92 L509 Y510	T52-Q519 CarbonylContact C-O 3.57Å; T52-Q519 WeakPolarHBondContact CA-O 3.4Å; T52-Q519 PolarHBondContact OG1-O 3.39Å; W53-Q519 HydrophobicContact CB-CB 4.49Å; W53-Q519 HydrophobicContact CE3-CB 4.43Å; W53-Q519 HydrophobicContact CE3-CG 4.01Å; W53-Q519 PolarHBondContact N-O 2.72Å; W53-Q519 PolarHBondContact O-N 2.87Å; L89-Q519 PolarHBondContact O-NE2 3.2Å; V92-Q519 HydrophobicContact CB-CB 4.33Å; V92-Q519 HydrophobicContact CG1-CB 3.79Å; V92-Q519 HydrophobicContact CG1-CG 4.45Å; V92-Q519 HydrophobicContact CG2-CB 3.6Å; V92-Q519 VanDerWaalsContact N-OE1 3.12Å; L509-Q519 CarbonylContact O-C 3.57Å; L509-Q519 WeakPolarHBondContact O-CA 3.19Å; Y510-Q519 HydrophobicContact CD1-CB 4.21Å; Y510-Q519 HydrophobicContact CD1-CG 4.34Å; Y510-Q519 HydrophobicContact CE1-CB 4.17Å; Y510-Q519 HydrophobicContact CE1-CG 3.86Å
520	V	97.9	Very high	94	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130	-173.7	-169.5	0	0	0	0	109.4	L488 I490 Q508 L509 V511 A518	L488-V520 HydrophobicContact CD1-CG1 4.12Å; I490-V520 HydrophobicContact CD1-CG1 4.42Å; I490-V520 HydrophobicContact CD1-CG2 3.89Å; I490-V520 HydrophobicContact CG2-CG2 4.49Å; Q508-V520 CarbonylContact C-O 3.58Å; Q508-V520 WeakPolarHBondContact CA-O 3.47Å; L509-V520 HydrophobicContact CB-CB 4.27Å; L509-V520 PolarHBondContact N-O 2.64Å; L509-V520 PolarHBondContact O-N 3.42Å; V511-V520 HydrophobicContact CG2-CG2 4.19Å; A518-V520 HydrophobicContact CB-CG2 4.2Å
521	R	97.2	Very high	93.4	Very high	86 Å²	86	23.6 Å²	23.6	33%	0.325	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	150.9	176.8	-64.6	179.3	-170.6	-170.2	3.8	111.1	N50 R51 W53	N50-R521 PolarHBondContact O-NE 3.32Å; N50-R521 PolarHBondContact O-NH2 2.67Å; R51-R521 PolarHBondContact NH1-O 2.99Å; R51-R521 PolarHBondContact NH2-O 3.29Å; R51-R521 VanDerWaalsContact NH2-O 3.12Å; R51-R521 PolarHBondContact O-N 2.95Å; W53-R521 HydrophobicContact CZ3-CG 4.44Å
522	L	97.1	Very high	93	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-74.1	-34.3	178.3	-66.8	-179.9	0	0	0	113.6	R51 Y458 K468 I502 Q507 L509 Y542	R51-L522 VanDerWaalsContact NH2-C 3.3Å; R51-L522 PolarHBondContact NH2-O 2.89Å; Y458-L522 HydrophobicContact CD2-CD2 4.45Å; Y458-L522 HydrophobicContact CE1-CD2 4.08Å; Y458-L522 HydrophobicContact CE2-CD2 3.66Å; Y458-L522 VanDerWaalsContact CZ-CD2 3.43Å; Y458-L522 WeakPolarHBondContact OH-CB 3.27Å; Y458-L522 WeakPolarHBondContact OH-CD2 3.4Å; Y458-L522 PolarHBondContact OH-O 3.36Å; K468-L522 PolarHBondContact NZ-O 2.94Å; I502-L522 HydrophobicContact CD1-CD1 4.22Å; I502-L522 HydrophobicContact CD1-CD2 3.82Å; I502-L522 HydrophobicContact CG1-CD1 4.36Å; I502-L522 HydrophobicContact CG1-CD2 4.05Å; Q507-L522 VanDerWaalsContact C-CG 3.47Å; Q507-L522 HydrophobicContact CB-CD1 4.37Å; Q507-L522 PolarHBondContact O-N 3.43Å; L509-L522 HydrophobicContact CD1-CD2 4.3Å; L509-L522 HydrophobicContact CD2-CD2 3.81Å; L509-L522 HydrophobicContact CG-CD2 3.56Å; L522-Y542 HydrophobicContact CB-CE1 4.43Å; L522-Y542 HydrophobicContact CB-CE2 4.42Å; L522-Y542 HydrophobicContact CD1-CE1 4.4Å
523	H	95.2	Very high	92.6	Very high	34 Å²	34	24.1 Å²	24.1	16%	0.157	13%	0.131	C	C	.	.			trans	-145.9	150.5	-179.3	71.3	91.1	0	0	0	112.1	R51 Y542 R552	R51-H523 PolarHBondContact NH1-O 2.73Å; H523-Y542 VanDerWaalsContact CB-CB 3.43Å; H523-Y542 HydrophobicContact CB-CD2 4.06Å; H523-Y542 HydrophobicContact CB-CG 3.8Å; H523-R552 PolarHBondContact CD2-NH1 2.88Å; H523-R552 PolarHBondContact NE2-NH1 3.42Å
524	Q	94.8	Very high	92.4	Very high	17 Å²	17	25.7 Å²	25.7	8%	0.079	14%	0.139	C	C	.	.			trans	-147.5	79.9	173.3	-170.8	174.6	-19.2	0	0	107.8	T49 R51 D526 L527	T49-Q524 PolarHBondContact O-NE2 2.97Å; R51-Q524 VanDerWaalsContact CD-OE1 3.25Å; Q524-D526 VanDerWaalsContact C-N 3.26Å; Q524-D526 WeakPolarHBondContact CG-OD1 3.36Å; Q524-D526 PolarHBondContact NE2-OD2 3.33Å; Q524-D526 PolarHBondContact O-N 3.27Å; Q524-L527 HydrophobicContact CB-CD1 3.84Å; Q524-L527 HydrophobicContact CB-CG 4.05Å; Q524-L527 HydrophobicContact CG-CD1 3.94Å; Q524-L527 HydrophobicContact CG-CG 3.77Å; Q524-L527 VanDerWaalsContact O-CB 3.27Å; Q524-L527 WeakPolarHBondContact O-CB 3.34Å; Q524-L527 WeakPolarHBondContact O-CG 3.39Å; Q524-L527 PolarHBondContact O-N 2.91Å
525	C	94.8	Very high	92.5	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.027	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-65	-28.5	-162.7	-56.4	0	0	0	0	113.7	L527 Y528 C543 C550	C525-L527 PolarHBondContact O-N 3.28Å; C525-Y528 WeakPolarHBondContact O-CB 3.39Å; C525-Y528 PolarHBondContact O-N 2.91Å; C525-C543 WeakPolarHBondContact CA-SG 3.45Å; C525-C543 HydrophobicContact CB-CB 3.64Å; C525-C543 WeakPolarHBondContact CB-SG 3.44Å; C525-C543 WeakPolarHBondContact SG-CA 3.37Å; C525-C543 WeakPolarHBondContact SG-CB 3.48Å; C525-C543 CovalentContact SG-SG 2.04Å; C525-C543 PolarHBondContact SG-SG 3.49Å; C525-C550 CarbonylContact C-O 3.59Å; C525-C550 WeakPolarHBondContact CB-O 3.34Å; C525-C550 WeakPolarHBondContact O-CB 3.41Å; C525-C550 PolarHBondContact O-SG 2.84Å; C525-C550 VanDerWaalsContact O-SG 3.37Å
526	D	91.6	Very high	92.6	Very high	99 Å²	99	21.1 Å²	21.1	53%	0.529	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-58.9	-23.7	172.5	51	-62.5	0	0	0	113	Q524 Y528 C550	Q524-D526 VanDerWaalsContact C-N 3.26Å; Q524-D526 WeakPolarHBondContact CG-OD1 3.36Å; Q524-D526 PolarHBondContact NE2-OD2 3.33Å; Q524-D526 PolarHBondContact O-N 3.27Å; D526-Y528 VanDerWaalsContact C-N 3.25Å; D526-Y528 PolarHBondContact O-N 3.06Å; D526-C550 PolarHBondContact N-O 3.47Å
527	L	91.8	Very high	92.5	Very high	31 Å²	31	21.4 Å²	21.4	16%	0.162	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-70.2	-19.3	174.1	-63	-179.6	0	0	0	113	I39 L41 T49 Q524 C525 R612	I39-L527 WeakPolarHBondContact CD1-O 3.26Å; L41-L527 HydrophobicContact CD1-CD1 3.71Å; T49-L527 HydrophobicContact CG2-CD2 4Å; Q524-L527 HydrophobicContact CB-CD1 3.84Å; Q524-L527 HydrophobicContact CB-CG 4.05Å; Q524-L527 HydrophobicContact CG-CD1 3.94Å; Q524-L527 HydrophobicContact CG-CG 3.77Å; Q524-L527 VanDerWaalsContact O-CB 3.27Å; Q524-L527 WeakPolarHBondContact O-CB 3.34Å; Q524-L527 WeakPolarHBondContact O-CG 3.39Å; Q524-L527 PolarHBondContact O-N 2.91Å; C525-L527 PolarHBondContact O-N 3.28Å; L527-R612 VanDerWaalsContact O-CD 3.3Å; L527-R612 WeakPolarHBondContact O-CD 3.47Å; L527-R612 PolarHBondContact O-NH1 2.99Å
528	Y	90.9	Very high	92.4	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.016	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-30.6	178.5	-68.1	-61.5	0	0	0	112.9	I39 E486 C525 D526 D534 A538 D540 C543 R612	I39-Y528 HydrophobicContact CD1-CD1 3.39Å; I39-Y528 HydrophobicContact CD1-CE1 3.67Å; I39-Y528 HydrophobicContact CD1-CG 4.33Å; I39-Y528 HydrophobicContact CG1-CD1 4.25Å; I39-Y528 HydrophobicContact CG1-CE1 4.26Å; E486-Y528 PolarHBondContact OE1-OH 2.62Å; C525-Y528 WeakPolarHBondContact O-CB 3.39Å; C525-Y528 PolarHBondContact O-N 2.91Å; D526-Y528 VanDerWaalsContact C-N 3.25Å; D526-Y528 PolarHBondContact O-N 3.06Å; Y528-D534 WeakPolarHBondContact O-CB 3.48Å; Y528-A538 HydrophobicContact CD1-CB 3.52Å; Y528-A538 HydrophobicContact CD2-CB 3.67Å; Y528-A538 HydrophobicContact CE1-CB 3.88Å; Y528-A538 HydrophobicContact CE2-CB 4Å; Y528-A538 HydrophobicContact CG-CB 3.42Å; Y528-A538 VanDerWaalsContact CG-CB 3.42Å; Y528-D540 HydrophobicContact CE2-CB 3.69Å; Y528-D540 WeakPolarHBondContact CE2-OD2 3.32Å; Y528-D540 WeakPolarHBondContact OH-CB 3.34Å; Y528-D540 PolarHBondContact OH-OD2 2.98Å; Y528-C543 HydrophobicContact CD2-CB 4.34Å; Y528-C543 HydrophobicContact CE2-CB 4.3Å; Y528-R612 WeakPolarHBondContact O-CD 3.13Å
529	G	86.5	Confident	92.4	Very high	6 Å²	6	21.9 Å²	21.9	6%	0.062	12%	0.121	C	C	.	.			trans	143.6	172.7	179.9	0	0	0	0	0	112
530	S	83.3	Confident	92.3	Very high	87 Å²	87	21.8 Å²	21.8	61%	0.608	12%	0.12	S	C	*	.	S	Bend	trans	-100.5	-1	-179.3	57.5	0	0	0	0	113.1	W545	S530-W545 WeakPolarHBondContact O-CH2 3.4Å; S530-W545 WeakPolarHBondContact O-CZ3 3.38Å
531	A	85.9	Confident	92.3	Very high	23 Å²	23	21.8 Å²	21.8	19%	0.19	12%	0.12	C	C	.	.	S	Bend	trans	-100	154.3	176.8	0	0	0	0	0	112.3	A533 D534 C535	A531-A533 VanDerWaalsContact C-N 3.25Å; A531-A533 PolarHBondContact O-N 2.94Å; A531-D534 WeakPolarHBondContact CB-OD2 3.41Å; A531-D534 PolarHBondContact N-OD2 3.4Å; A531-D534 PolarHBondContact O-N 2.88Å; A531-C535 PolarHBondContact O-N 3.17Å
532	C	88.8	Confident	92.3	Very high	10 Å²	10	17.8 Å²	17.8	7%	0.068	11%	0.105	C	C	.	.	H	α-helix	trans	-53.6	-44.9	173.5	177	0	0	0	0	112	C535 C536 W545 R567 C579 L582	C532-C535 PolarHBondContact O-N 3.5Å; C532-C536 PolarHBondContact O-N 3.46Å; C532-C536 PolarHBondContact O-SG 3.25Å; C532-C536 VanDerWaalsContact O-SG 3.33Å; C532-W545 VanDerWaalsContact CA-CD2 3.46Å; C532-W545 HydrophobicContact CB-CD2 3.8Å; C532-W545 HydrophobicContact CB-CE3 4.34Å; C532-W545 HydrophobicContact CB-CG 3.95Å; C532-W545 HydrophobicContact CB-CZ2 4.29Å; C532-R567 WeakPolarHBondContact SG-CD 3.32Å; C532-C579 HydrophobicContact CB-CB 3.78Å; C532-C579 WeakPolarHBondContact CB-SG 3.22Å; C532-C579 PolarHBondContact O-SG 3.48Å; C532-C579 VanDerWaalsContact O-SG 3.42Å; C532-C579 WeakPolarHBondContact SG-CB 3.37Å; C532-C579 CovalentContact SG-SG 2.05Å; C532-C579 PolarHBondContact SG-SG 3.12Å; C532-L582 HydrophobicContact CB-CD1 4.09Å
533	A	89.6	Confident	92.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-63.7	-44.8	-178.2	0	0	0	0	0	111.8	A531 C535 C536 L537 A575 C579 Y666	A531-A533 VanDerWaalsContact C-N 3.25Å; A531-A533 PolarHBondContact O-N 2.94Å; A533-C535 PolarHBondContact O-N 2.9Å; A533-C536 PolarHBondContact O-N 2.92Å; A533-L537 VanDerWaalsContact O-CB 3.28Å; A533-L537 WeakPolarHBondContact O-CB 3.21Å; A533-L537 WeakPolarHBondContact O-CD1 3.22Å; A533-L537 WeakPolarHBondContact O-CG 3.31Å; A533-L537 PolarHBondContact O-N 3.3Å; A533-A575 HydrophobicContact CB-CB 3.95Å; A533-C579 PolarHBondContact N-SG 3.35Å; A533-C579 VanDerWaalsContact N-SG 3.42Å; A533-Y666 HydrophobicContact CB-CD1 3.98Å; A533-Y666 HydrophobicContact CB-CD2 4.17Å; A533-Y666 HydrophobicContact CB-CE1 3.43Å; A533-Y666 VanDerWaalsContact CB-CE1 3.43Å; A533-Y666 HydrophobicContact CB-CE2 3.65Å; A533-Y666 HydrophobicContact CB-CG 4.33Å; A533-Y666 WeakPolarHBondContact CB-OH 3.48Å
534	D	89.4	Confident	92.1	Very high	33 Å²	33	16.4 Å²	16.4	18%	0.176	10%	0.099	C	C	.	.	H	α-helix	trans	-56.3	-40.3	178.1	-61.9	-27.9	0	0	0	111.9	R38 Y528 A531 A538 H668	R38-D534 PolarHBondContact NH2-O 3.46Å; R38-D534 VanDerWaalsContact NH2-O 3.15Å; Y528-D534 WeakPolarHBondContact O-CB 3.48Å; A531-D534 WeakPolarHBondContact CB-OD2 3.41Å; A531-D534 PolarHBondContact N-OD2 3.4Å; A531-D534 PolarHBondContact O-N 2.88Å; D534-A538 PolarHBondContact O-N 2.96Å; D534-H668 IonicContact OD1-ND1 3.6Å
535	C	92.4	Very high	92	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.02	10%	0.099	C	C	.	.	H	α-helix	trans	-73.7	-41.5	-179.9	-160	0	0	0	0	113	A531 C532 A533 A538 W545 C550	A531-C535 PolarHBondContact O-N 3.17Å; C532-C535 PolarHBondContact O-N 3.5Å; A533-C535 PolarHBondContact O-N 2.9Å; C535-A538 WeakPolarHBondContact O-CB 3.16Å; C535-A538 PolarHBondContact O-N 3.38Å; C535-W545 HydrophobicContact CB-CB 4.22Å; C535-W545 HydrophobicContact CB-CE3 4.21Å; C535-W545 PolarHBondContact SG-N 3.02Å; C535-C550 VanDerWaalsContact CA-SG 3.52Å; C535-C550 HydrophobicContact CB-CB 3.51Å; C535-C550 WeakPolarHBondContact CB-SG 3.46Å; C535-C550 WeakPolarHBondContact SG-CA 3.32Å; C535-C550 WeakPolarHBondContact SG-CB 3.44Å; C535-C550 CovalentContact SG-SG 2.04Å; C535-C550 PolarHBondContact SG-SG 3.17Å
536	C	92.3	Very high	91.5	Very high	1 Å²	1	18 Å²	18	1%	0.007	11%	0.107	C	C	.	.	H	α-helix	trans	-69.8	-41.7	178.4	-65.3	0	0	0	0	111.4	C532 A533 A538 R539 A575 C579	C532-C536 PolarHBondContact O-N 3.46Å; C532-C536 PolarHBondContact O-SG 3.25Å; C532-C536 VanDerWaalsContact O-SG 3.33Å; A533-C536 PolarHBondContact O-N 2.92Å; C536-A538 PolarHBondContact O-N 3.23Å; C536-R539 PolarHBondContact O-N 3.45Å; C536-A575 HydrophobicContact CB-CB 4.06Å; C536-C579 VanDerWaalsContact SG-SG 3.67Å
537	L	93.2	Very high	91.2	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-27.2	175	-70.2	166.4	0	0	0	111.2	R38 A533 R539 G573 A575 E663 H664 Y666	R38-L537 PolarHBondContact NH1-O 3.09Å; A533-L537 VanDerWaalsContact O-CB 3.28Å; A533-L537 WeakPolarHBondContact O-CB 3.21Å; A533-L537 WeakPolarHBondContact O-CD1 3.22Å; A533-L537 WeakPolarHBondContact O-CG 3.31Å; A533-L537 PolarHBondContact O-N 3.3Å; L537-R539 WeakPolarHBondContact O-CG 3.36Å; L537-R539 PolarHBondContact O-N 3.29Å; L537-R539 VanDerWaalsContact O-N 3.1Å; L537-G573 WeakPolarHBondContact CD2-O 3.15Å; L537-A575 HydrophobicContact CD1-CB 4.32Å; L537-A575 HydrophobicContact CD2-CB 4.07Å; L537-A575 HydrophobicContact CG-CB 3.75Å; L537-E663 HydrophobicContact CD1-CB 4.35Å; L537-E663 HydrophobicContact CD2-CB 4.35Å; L537-E663 HydrophobicContact CD2-CG 4.12Å; L537-E663 WeakPolarHBondContact CD2-O 3.27Å; L537-H664 HydrophobicContact CD2-CB 3.84Å; L537-Y666 HydrophobicContact CD1-CD1 4.06Å; L537-Y666 HydrophobicContact CD1-CG 4.28Å
538	A	94.2	Very high	90.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.008	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.5	179.4	0	0	0	0	0	114.3	R38 L485 Y528 D534 C535 C536 D540	R38-A538 VanDerWaalsContact CZ-CA 3.46Å; R38-A538 VanDerWaalsContact CZ-N 3.31Å; R38-A538 VanDerWaalsContact NE-CA 3.29Å; L485-A538 WeakPolarHBondContact CD2-O 3.3Å; Y528-A538 HydrophobicContact CD1-CB 3.52Å; Y528-A538 HydrophobicContact CD2-CB 3.67Å; Y528-A538 HydrophobicContact CE1-CB 3.88Å; Y528-A538 HydrophobicContact CE2-CB 4Å; Y528-A538 HydrophobicContact CG-CB 3.42Å; Y528-A538 VanDerWaalsContact CG-CB 3.42Å; D534-A538 PolarHBondContact O-N 2.96Å; C535-A538 WeakPolarHBondContact O-CB 3.16Å; C535-A538 PolarHBondContact O-N 3.38Å; C536-A538 PolarHBondContact O-N 3.23Å; A538-D540 HydrophobicContact CB-CB 4.5Å; A538-D540 PolarHBondContact O-N 3.35Å
539	R	95.3	Very high	90.6	Very high	9 Å²	9	22.7 Å²	22.7	3%	0.034	14%	0.141	C	C	.	.			trans	51.6	19.6	-178.2	-63.5	172.2	75.7	-173.5	1.8	113.2	I470 E481 L485 C536 L537 P541 V570 R571 H664	I470-R539 WeakPolarHBondContact CD1-O 3.48Å; E481-R539 IonicContact OE1-CZ 2.91Å; E481-R539 VanDerWaalsContact OE1-CZ 3.29Å; E481-R539 IonicContact OE1-NH1 2.98Å; E481-R539 PolarHBondContact OE1-NH1 3.45Å; E481-R539 IonicContact OE1-NH2 3.7Å; E481-R539 PolarHBondContact OE1-NH2 2.91Å; E481-R539 IonicContact OE2-NH2 3.25Å; E481-R539 PolarHBondContact OE2-NH2 3.03Å; L485-R539 HydrophobicContact CD2-CB 4.41Å; C536-R539 PolarHBondContact O-N 3.45Å; L537-R539 WeakPolarHBondContact O-CG 3.36Å; L537-R539 PolarHBondContact O-N 3.29Å; L537-R539 VanDerWaalsContact O-N 3.1Å; R539-P541 WeakPolarHBondContact O-CD 3.36Å; R539-V570 WeakPolarHBondContact CG-O 3.41Å; R539-V570 PolarHBondContact NE-O 2.93Å; R539-V570 WeakPolarHBondContact O-CG1 3.19Å; R539-R571 PolarHBondContact NH2-O 3.42Å; R539-H664 PolarHBondContact NH1-NE2 2.99Å; R539-H664 VanDerWaalsContact NH1-NE2 3.11Å
540	D	96.8	Very high	90.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.011	14%	0.139	C	C	.	.			trans	-83.8	116.5	179.1	-175	-18.2	0	0	0	109.2	K468 L485 Y528 A538 Y542 C543 Q568	K468-D540 IonicContact NZ-OD1 3.19Å; K468-D540 PolarHBondContact NZ-OD1 2.94Å; K468-D540 IonicContact NZ-OD2 2.83Å; K468-D540 PolarHBondContact NZ-OD2 3.36Å; L485-D540 HydrophobicContact CD1-CB 4.32Å; Y528-D540 HydrophobicContact CE2-CB 3.69Å; Y528-D540 WeakPolarHBondContact CE2-OD2 3.32Å; Y528-D540 WeakPolarHBondContact OH-CB 3.34Å; Y528-D540 PolarHBondContact OH-OD2 2.98Å; A538-D540 HydrophobicContact CB-CB 4.5Å; A538-D540 PolarHBondContact O-N 3.35Å; D540-Y542 PolarHBondContact O-N 3.24Å; D540-Y542 WeakPolarHBondContact OD1-CB 3.44Å; D540-Y542 VanDerWaalsContact OD1-CD2 3.24Å; D540-Y542 WeakPolarHBondContact OD1-CD2 3.22Å; D540-Y542 PolarHBondContact OD1-N 2.88Å; D540-C543 HydrophobicContact CB-CB 4.12Å; D540-C543 PolarHBondContact O-N 3.37Å; D540-C543 VanDerWaalsContact O-O 3.09Å; D540-Q568 PolarHBondContact O-NE2 3.48Å
541	P	96.8	Very high	91.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.2	-178.6	-25.1	34.7	0	0	0	114	V447 A449 Y454 V456 I470 R539 C543 Q568 V570	V447-P541 HydrophobicContact CB-CB 3.99Å; V447-P541 HydrophobicContact CG1-CB 3.81Å; A449-P541 HydrophobicContact CB-CB 4.28Å; Y454-P541 HydrophobicContact CD2-CB 4.4Å; Y454-P541 HydrophobicContact CD2-CG 4.29Å; Y454-P541 HydrophobicContact CG-CB 4.48Å; Y454-P541 HydrophobicContact CG-CG 3.96Å; V456-P541 HydrophobicContact CG2-CB 4.47Å; V456-P541 HydrophobicContact CG2-CG 4Å; I470-P541 HydrophobicContact CG2-CG 4.01Å; R539-P541 WeakPolarHBondContact O-CD 3.36Å; P541-C543 VanDerWaalsContact C-N 3.28Å; P541-C543 PolarHBondContact O-N 2.99Å; P541-Q568 PolarHBondContact O-NE2 3.2Å; P541-V570 HydrophobicContact CB-CG2 4.31Å; P541-V570 HydrophobicContact CG-CG1 3.98Å; P541-V570 HydrophobicContact CG-CG2 4.23Å
542	Y	96.8	Very high	91.6	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.012	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.5	176.9	-63.5	-77.3	0	0	0	113.8	D445 V447 V456 Y458 Q507 L522 H523 D540 R552 Y553	D445-Y542 VanDerWaalsContact CB-OH 3.24Å; D445-Y542 WeakPolarHBondContact CB-OH 3.12Å; D445-Y542 PolarHBondContact OD2-OH 3.04Å; V447-Y542 HydrophobicContact CB-CE1 4.33Å; V447-Y542 HydrophobicContact CG1-CD1 3.77Å; V447-Y542 HydrophobicContact CG1-CE1 3.87Å; V447-Y542 HydrophobicContact CG1-CG 4.23Å; V447-Y542 HydrophobicContact CG2-CD1 4.15Å; V447-Y542 HydrophobicContact CG2-CD2 4.49Å; V447-Y542 HydrophobicContact CG2-CE1 3.43Å; V447-Y542 VanDerWaalsContact CG2-CE1 3.43Å; V447-Y542 HydrophobicContact CG2-CE2 3.84Å; V447-Y542 WeakPolarHBondContact CG2-OH 3.34Å; V456-Y542 HydrophobicContact CB-CE2 4.25Å; V456-Y542 HydrophobicContact CG1-CE2 4.13Å; V456-Y542 HydrophobicContact CG2-CE2 3.91Å; Y458-Y542 WeakPolarHBondContact OH-CE2 3.33Å; Y458-Y542 PolarHBondContact OH-OH 2.87Å; Q507-Y542 VanDerWaalsContact OE1-CE1 3.31Å; L522-Y542 HydrophobicContact CB-CE1 4.43Å; L522-Y542 HydrophobicContact CB-CE2 4.42Å; L522-Y542 HydrophobicContact CD1-CE1 4.4Å; H523-Y542 VanDerWaalsContact CB-CB 3.43Å; H523-Y542 HydrophobicContact CB-CD2 4.06Å; H523-Y542 HydrophobicContact CB-CG 3.8Å; D540-Y542 PolarHBondContact O-N 3.24Å; D540-Y542 WeakPolarHBondContact OD1-CB 3.44Å; D540-Y542 VanDerWaalsContact OD1-CD2 3.24Å; D540-Y542 WeakPolarHBondContact OD1-CD2 3.22Å; D540-Y542 PolarHBondContact OD1-N 2.88Å; Y542-R552 CarbonylContact O-C 3.52Å; Y542-R552 VanDerWaalsContact O-CA 3.29Å; Y542-R552 WeakPolarHBondContact O-CA 3.3Å; Y542-Y553 PolarHBondContact O-N 3.38Å
543	C	95.5	Very high	91.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.5	-167.6	-60.9	0	0	0	0	112.3	C525 Y528 D540 P541 S551 Q568	C525-C543 WeakPolarHBondContact CA-SG 3.45Å; C525-C543 HydrophobicContact CB-CB 3.64Å; C525-C543 WeakPolarHBondContact CB-SG 3.44Å; C525-C543 WeakPolarHBondContact SG-CA 3.37Å; C525-C543 WeakPolarHBondContact SG-CB 3.48Å; C525-C543 CovalentContact SG-SG 2.04Å; C525-C543 PolarHBondContact SG-SG 3.49Å; Y528-C543 HydrophobicContact CD2-CB 4.34Å; Y528-C543 HydrophobicContact CE2-CB 4.3Å; D540-C543 HydrophobicContact CB-CB 4.12Å; D540-C543 PolarHBondContact O-N 3.37Å; D540-C543 VanDerWaalsContact O-O 3.09Å; P541-C543 VanDerWaalsContact C-N 3.28Å; P541-C543 PolarHBondContact O-N 2.99Å; C543-S551 WeakPolarHBondContact CA-O 3.38Å; C543-Q568 WeakPolarHBondContact O-CG 3.46Å; C543-Q568 PolarHBondContact O-NE2 3.21Å
544	A	93.9	Very high	91.4	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.7	176.7	0	0	0	0	0	110	D546 S551 Y553 Q568	A544-D546 PolarHBondContact O-N 2.91Å; A544-S551 PolarHBondContact N-O 2.95Å; A544-S551 PolarHBondContact O-N 2.86Å; A544-Y553 HydrophobicContact CB-CD2 3.81Å; A544-Y553 HydrophobicContact CB-CG 4.41Å; A544-Q568 HydrophobicContact CB-CB 3.87Å; A544-Q568 HydrophobicContact CB-CG 4.35Å
545	W	91.6	Very high	90.8	Very high	17 Å²	17	27.6 Å²	27.6	6%	0.064	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130	170	-178.6	-105.9	0	0	0	108.5	S530 C532 C535 G547 L548 T549 R566 R567	S530-W545 WeakPolarHBondContact O-CH2 3.4Å; S530-W545 WeakPolarHBondContact O-CZ3 3.38Å; C532-W545 VanDerWaalsContact CA-CD2 3.46Å; C532-W545 HydrophobicContact CB-CD2 3.8Å; C532-W545 HydrophobicContact CB-CE3 4.34Å; C532-W545 HydrophobicContact CB-CG 3.95Å; C532-W545 HydrophobicContact CB-CZ2 4.29Å; C535-W545 HydrophobicContact CB-CB 4.22Å; C535-W545 HydrophobicContact CB-CE3 4.21Å; C535-W545 PolarHBondContact SG-N 3.02Å; W545-G547 VanDerWaalsContact CD1-N 3.34Å; W545-G547 VanDerWaalsContact NE1-CA 3.28Å; W545-L548 WeakPolarHBondContact CH2-O 3.48Å; W545-T549 VanDerWaalsContact CZ3-C 3.44Å; W545-T549 VanDerWaalsContact CZ3-CA 3.45Å; W545-R566 CarbonylContact O-C 3.55Å; W545-R566 WeakPolarHBondContact O-CA 3.31Å; W545-R567 HydrophobicContact CB-CB 4.18Å; W545-R567 PolarHBondContact N-O 2.73Å; W545-R567 PolarHBondContact O-N 3.28Å
546	D	85.6	Confident	89.5	Confident	37 Å²	37	31.4 Å²	31.4	20%	0.198	18%	0.178	C	C	.	.			trans	-101.3	-0.2	-178.5	65.6	15.4	0	0	0	115	A544 L548 T549 S551 S562	A544-D546 PolarHBondContact O-N 2.91Å; D546-L548 PolarHBondContact OD1-N 3.49Å; D546-T549 PolarHBondContact N-O 3.29Å; D546-T549 VanDerWaalsContact N-O 3.15Å; D546-T549 PolarHBondContact OD1-N 2.89Å; D546-T549 VanDerWaalsContact OD1-O 3.12Å; D546-S551 WeakPolarHBondContact CB-OG 3.49Å; D546-S551 WeakPolarHBondContact OD2-CB 3.35Å; D546-S551 PolarHBondContact OD2-OG 3.38Å; D546-S562 PolarHBondContact O-OG 3.35Å
547	G	83.9	Confident	88	Confident	28 Å²	28	33.6 Å²	33.6	29%	0.289	20%	0.201	S	C	.	.	S	Bend	trans	112	-25	-172.4	0	0	0	0	0	113.3	W545	W545-G547 VanDerWaalsContact CD1-N 3.34Å; W545-G547 VanDerWaalsContact NE1-CA 3.28Å
548	L	82.8	Confident	86.5	Confident	139 Å²	139	37.6 Å²	37.6	73%	0.728	23%	0.225	S	C	*	.	S	Bend	trans	-124	-44.8	-176.8	-175.2	68.8	0	0	0	112.6	W545 D546	W545-L548 WeakPolarHBondContact CH2-O 3.48Å; D546-L548 PolarHBondContact OD1-N 3.49Å
549	T	88.6	Confident	84.7	Confident	65 Å²	65	44.6 Å²	44.6	40%	0.399	25%	0.253	S	S	.	.	S	Bend	trans	-141.5	165.5	179.7	63.8	0	0	0	0	111.8	W545 D546 S551	W545-T549 VanDerWaalsContact CZ3-C 3.44Å; W545-T549 VanDerWaalsContact CZ3-CA 3.45Å; D546-T549 PolarHBondContact N-O 3.29Å; D546-T549 VanDerWaalsContact N-O 3.15Å; D546-T549 PolarHBondContact OD1-N 2.89Å; D546-T549 VanDerWaalsContact OD1-O 3.12Å; T549-S551 PolarHBondContact O-N 3.42Å
550	C	92	Very high	82.6	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	109.8	167.7	-165.1	0	0	0	0	109.1	C525 D526 C535	C525-C550 CarbonylContact C-O 3.59Å; C525-C550 WeakPolarHBondContact CB-O 3.34Å; C525-C550 WeakPolarHBondContact O-CB 3.41Å; C525-C550 PolarHBondContact O-SG 2.84Å; C525-C550 VanDerWaalsContact O-SG 3.37Å; D526-C550 PolarHBondContact N-O 3.47Å; C535-C550 VanDerWaalsContact CA-SG 3.52Å; C535-C550 HydrophobicContact CB-CB 3.51Å; C535-C550 WeakPolarHBondContact CB-SG 3.46Å; C535-C550 WeakPolarHBondContact SG-CA 3.32Å; C535-C550 WeakPolarHBondContact SG-CB 3.44Å; C535-C550 CovalentContact SG-SG 2.04Å; C535-C550 PolarHBondContact SG-SG 3.17Å
551	S	92.4	Very high	80.5	Confident	33 Å²	33	59.1 Å²	59.1	23%	0.231	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	176.1	-173.5	73.1	0	0	0	0	111.4	C543 A544 D546 T549 Y553	C543-S551 WeakPolarHBondContact CA-O 3.38Å; A544-S551 PolarHBondContact N-O 2.95Å; A544-S551 PolarHBondContact O-N 2.86Å; D546-S551 WeakPolarHBondContact CB-OG 3.49Å; D546-S551 WeakPolarHBondContact OD2-CB 3.35Å; D546-S551 PolarHBondContact OD2-OG 3.38Å; T549-S551 PolarHBondContact O-N 3.42Å; S551-Y553 PolarHBondContact O-N 2.79Å
552	R	92.4	Very high	78.5	Confident	62 Å²	62	61.2 Å²	61.2	23%	0.234	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	133	-177.3	-175.8	-176.9	168	84	-0.7	110.4	Q507 H523 Y542 Y554	Q507-R552 VanDerWaalsContact NE2-NH2 3.13Å; H523-R552 PolarHBondContact CD2-NH1 2.88Å; H523-R552 PolarHBondContact NE2-NH1 3.42Å; Y542-R552 CarbonylContact O-C 3.52Å; Y542-R552 VanDerWaalsContact O-CA 3.29Å; Y542-R552 WeakPolarHBondContact O-CA 3.3Å; R552-Y554 HydrophobicContact CB-CE2 3.92Å; R552-Y554 HydrophobicContact CG-CE2 4.16Å; R552-Y554 WeakPolarHBondContact O-CD2 3.21Å; R552-Y554 PolarHBondContact O-N 3.43Å
553	Y	90.5	Very high	76.7	Confident	31 Å²	31	68.2 Å²	68.2	12%	0.122	37%	0.366	C	S	.	.			trans	-67.2	131.6	171.2	-179.9	-103.6	0	0	0	110.9	Q448 A449 Q450 Y542 A544 S551 P555	Q448-Y553 WeakPolarHBondContact O-CD1 3.33Å; Q448-Y553 WeakPolarHBondContact O-CE1 3.3Å; A449-Y553 VanDerWaalsContact C-CE1 3.42Å; A449-Y553 VanDerWaalsContact C-CZ 3.44Å; A449-Y553 PolarHBondContact O-OH 3.07Å; A449-Y553 VanDerWaalsContact O-OH 3.08Å; Q450-Y553 WeakPolarHBondContact CA-OH 3.49Å; Q450-Y553 HydrophobicContact CB-CE2 4.12Å; Q450-Y553 PolarHBondContact N-OH 3.4Å; Y542-Y553 PolarHBondContact O-N 3.38Å; A544-Y553 HydrophobicContact CB-CD2 3.81Å; A544-Y553 HydrophobicContact CB-CG 4.41Å; S551-Y553 PolarHBondContact O-N 2.79Å; Y553-P555 HydrophobicContact CE1-CG 4.32Å
554	Y	83.7	Confident	75.1	Confident	95 Å²	95	79.2 Å²	79.2	37%	0.373	41%	0.407	S	S	.	.			trans	-128.6	129.1	172.8	-70.1	-81.5	0	0	0	109	R552 Y559 R566	R552-Y554 HydrophobicContact CB-CE2 3.92Å; R552-Y554 HydrophobicContact CG-CE2 4.16Å; R552-Y554 WeakPolarHBondContact O-CD2 3.21Å; R552-Y554 PolarHBondContact O-N 3.43Å; Y554-Y559 HydrophobicContact CD1-CE2 4.49Å; Y554-R566 PolarHBondContact O-NH1 2.8Å
555	P	76.1	Confident	73.8	Confident	39 Å²	39	84.2 Å²	84.2	25%	0.253	43%	0.429	S	S	.	.			trans	-54.7	149.2	176.6	-26.3	34.4	0	0	0	112.9	Q448 Y553 G557	Q448-P555 HydrophobicContact CG-CG 4.31Å; Y553-P555 HydrophobicContact CE1-CG 4.32Å; P555-G557 PolarHBondContact O-N 2.79Å
556	A	65.1	Low	73.4	Confident	82 Å²	82	86 Å²	86	68%	0.678	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	123.1	178.9	0	0	0	0	0	110.8
557	G	61.6	Low	73.6	Confident	47 Å²	47	86.2 Å²	86.2	49%	0.485	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	128	-23.3	178.7	0	0	0	0	0	115.1	P555	P555-G557 PolarHBondContact O-N 2.79Å
558	V	61.3	Low	74	Confident	90 Å²	90	85.3 Å²	85.3	55%	0.545	42%	0.422	S	S	.	.	S	Bend	trans	-86.3	-30.1	-174.4	-170.4	0	0	0	0	113.1
559	Y	55.6	Low	74.4	Confident	149 Å²	149	79.6 Å²	79.6	58%	0.584	39%	0.392	S	S	*	.	S	Bend	trans	-141.5	126.4	175	-64	-78.3	0	0	0	110.6	Y554	Y554-Y559 HydrophobicContact CD1-CE2 4.49Å
560	T	51.3	Low	74.7	Confident	111 Å²	111	76.5 Å²	76.5	68%	0.681	37%	0.373	S	S	*	.	S	Bend	trans	-95.8	13.4	-156.7	43.9	0	0	0	0	116.9
561	K	53.3	Low	74.8	Confident	204 Å²	204	80.6 Å²	80.6	89%	0.887	39%	0.388	S	S	*	.	S	Bend	trans	-116.7	-19.3	-173.1	-69.6	-172.1	178.3	-178.3	0	118.6
562	S	54.5	Low	74.7	Confident	45 Å²	45	84.3 Å²	84.3	32%	0.315	40%	0.402	S	S	.	.			trans	-110.5	21.8	-173.9	-129.5	0	0	0	0	116	D546 R564 F565	D546-S562 PolarHBondContact O-OG 3.35Å; S562-R564 VanDerWaalsContact C-N 3.27Å; S562-R564 PolarHBondContact O-N 2.73Å; S562-F565 PolarHBondContact O-N 3.36Å
563	R	58.3	Low	74.6	Confident	149 Å²	149	81.3 Å²	81.3	56%	0.562	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.4	-171.3	-68.5	-172.4	-177	-169.6	2	114.7
564	R	62.1	Low	74.6	Confident	233 Å²	233	81.9 Å²	81.9	88%	0.879	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.3	-172.2	-68	-173.8	-173.2	171.6	2.1	114.8	S562	S562-R564 VanDerWaalsContact C-N 3.27Å; S562-R564 PolarHBondContact O-N 2.73Å
565	F	66.6	Low	74.9	Confident	109 Å²	109	77.4 Å²	77.4	48%	0.478	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	0.6	-173.6	-57.5	-71.9	0	0	0	113.9	S562 R567	S562-F565 PolarHBondContact O-N 3.36Å; F565-R567 PolarHBondContact O-NH1 3.25Å
566	R	83.6	Confident	75.4	Confident	53 Å²	53	78 Å²	78	20%	0.2	38%	0.381	C	S	.	.			trans	-72.2	128.3	-179.3	-79.9	-177.6	-177.2	169.2	-3.6	112.3	W545 Y554	W545-R566 CarbonylContact O-C 3.55Å; W545-R566 WeakPolarHBondContact O-CA 3.31Å; Y554-R566 PolarHBondContact O-NH1 2.8Å
567	R	89.1	Confident	76.5	Confident	43 Å²	43	81 Å²	81	16%	0.162	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-136.7	124.6	178.7	-60.8	163.3	173.4	92.2	-10.5	109.8	C532 W545 F565 L578 L582	C532-R567 WeakPolarHBondContact SG-CD 3.32Å; W545-R567 HydrophobicContact CB-CB 4.18Å; W545-R567 PolarHBondContact N-O 2.73Å; W545-R567 PolarHBondContact O-N 3.28Å; F565-R567 PolarHBondContact O-NH1 3.25Å; R567-L578 HydrophobicContact CB-CB 4.41Å; R567-L578 WeakPolarHBondContact CD-O 3.37Å; R567-L578 PolarHBondContact NE-O 2.82Å; R567-L582 VanDerWaalsContact NH1-CD1 3.34Å
568	Q	92.7	Very high	77.6	Confident	8 Å²	8	81.4 Å²	81.4	4%	0.037	37%	0.372	C	S	.	.			trans	-149.9	136.7	174.2	-173.3	-175.2	48.3	0	0	108.1	Q450 D540 P541 C543 A544 V570	Q450-Q568 HydrophobicContact CB-CB 4.08Å; Q450-Q568 PolarHBondContact OE1-O 2.83Å; D540-Q568 PolarHBondContact O-NE2 3.48Å; P541-Q568 PolarHBondContact O-NE2 3.2Å; C543-Q568 WeakPolarHBondContact O-CG 3.46Å; C543-Q568 PolarHBondContact O-NE2 3.21Å; A544-Q568 HydrophobicContact CB-CB 3.87Å; A544-Q568 HydrophobicContact CB-CG 4.35Å; Q568-V570 HydrophobicContact CG-CG2 4Å
569	D	92.5	Very high	78.8	Confident	20 Å²	20	77.7 Å²	77.7	11%	0.107	35%	0.349	C	S	.	.			trans	-142.8	93.2	169.9	176.4	9	0	0	0	108.5	R571 H572 G573 N574 L578	D569-R571 PolarHBondContact OD1-N 3.33Å; D569-H572 IonicContact OD1-CD2 3.65Å; D569-H572 PolarHBondContact OD1-N 2.78Å; D569-H572 WeakPolarHBondContact OD2-CB 3.31Å; D569-G573 WeakPolarHBondContact O-CA 3.32Å; D569-G573 PolarHBondContact O-N 3.37Å; D569-G573 VanDerWaalsContact O-N 3.15Å; D569-G573 PolarHBondContact OD2-N 2.88Å; D569-N574 WeakPolarHBondContact OD2-CB 3.18Å; D569-N574 PolarHBondContact OD2-N 2.91Å; D569-L578 HydrophobicContact CB-CD1 3.5Å
570	V	94.8	Very high	79.5	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.7	179	175.2	0	0	0	0	109.7	A449 Y454 I470 R539 P541 Q568	A449-V570 HydrophobicContact CB-CG2 3.93Å; Y454-V570 HydrophobicContact CD1-CG1 3.65Å; Y454-V570 HydrophobicContact CD2-CB 4.43Å; Y454-V570 HydrophobicContact CD2-CG1 4.03Å; Y454-V570 HydrophobicContact CE1-CB 4.15Å; Y454-V570 HydrophobicContact CE1-CG1 3.37Å; Y454-V570 HydrophobicContact CE2-CB 3.88Å; Y454-V570 HydrophobicContact CE2-CG1 3.8Å; Y454-V570 HydrophobicContact CE2-CG2 4.31Å; Y454-V570 HydrophobicContact CG-CG1 3.97Å; Y454-V570 VanDerWaalsContact CZ-CG1 3.46Å; I470-V570 HydrophobicContact CD1-CG1 3.54Å; R539-V570 WeakPolarHBondContact CG-O 3.41Å; R539-V570 PolarHBondContact NE-O 2.93Å; R539-V570 WeakPolarHBondContact O-CG1 3.19Å; P541-V570 HydrophobicContact CB-CG2 4.31Å; P541-V570 HydrophobicContact CG-CG1 3.98Å; P541-V570 HydrophobicContact CG-CG2 4.23Å; Q568-V570 HydrophobicContact CG-CG2 4Å
571	R	92.4	Very high	79.8	Confident	89 Å²	89	72.4 Å²	72.4	34%	0.336	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-46.1	-172.5	-165.1	173.2	-175.3	-160.6	-2.6	112.9	D451 I472 R539 D569	D451-R571 WeakPolarHBondContact OD2-CB 3.28Å; D451-R571 PolarHBondContact OD2-N 2.93Å; I472-R571 HydrophobicContact CG2-CG 3.91Å; R539-R571 PolarHBondContact NH2-O 3.42Å; D569-R571 PolarHBondContact OD1-N 3.33Å
572	H	90.8	Very high	79.8	Confident	111 Å²	111	66.2 Å²	66.2	51%	0.514	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-15.9	-171.6	-54.2	-68.7	0	0	0	114.4	D569 N574	D569-H572 IonicContact OD1-CD2 3.65Å; D569-H572 PolarHBondContact OD1-N 2.78Å; D569-H572 WeakPolarHBondContact OD2-CB 3.31Å; H572-N574 VanDerWaalsContact C-N 3.28Å; H572-N574 PolarHBondContact O-N 2.91Å
573	G	91.1	Very high	79.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	32%	0.323	C	S	.	.			trans	62.7	32	-176.5	0	0	0	0	0	113.4	L537 D569 A575	L537-G573 WeakPolarHBondContact CD2-O 3.15Å; D569-G573 WeakPolarHBondContact O-CA 3.32Å; D569-G573 PolarHBondContact O-N 3.37Å; D569-G573 VanDerWaalsContact O-N 3.15Å; D569-G573 PolarHBondContact OD2-N 2.88Å; G573-A575 VanDerWaalsContact C-N 3.29Å; G573-A575 PolarHBondContact O-N 3.44Å
574	N	90.2	Very high	78.5	Confident	43 Å²	43	68.8 Å²	68.8	23%	0.23	33%	0.33	C	S	.	.			trans	-77.8	72.6	-172	-169.6	-9.6	0	0	0	112.8	D569 H572 V576 Q577 L578	D569-N574 WeakPolarHBondContact OD2-CB 3.18Å; D569-N574 PolarHBondContact OD2-N 2.91Å; H572-N574 VanDerWaalsContact C-N 3.28Å; H572-N574 PolarHBondContact O-N 2.91Å; N574-V576 VanDerWaalsContact C-N 3.27Å; N574-V576 PolarHBondContact O-N 2.98Å; N574-Q577 PolarHBondContact ND2-OE1 2.8Å; N574-Q577 PolarHBondContact OD1-N 2.79Å; N574-L578 WeakPolarHBondContact O-CB 3.26Å; N574-L578 WeakPolarHBondContact O-CG 3.24Å; N574-L578 PolarHBondContact O-N 2.84Å
575	A	90.1	Very high	77.2	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-31	175.8	0	0	0	0	0	113.1	A533 C536 L537 G573 C579 Y666	A533-A575 HydrophobicContact CB-CB 3.95Å; C536-A575 HydrophobicContact CB-CB 4.06Å; L537-A575 HydrophobicContact CD1-CB 4.32Å; L537-A575 HydrophobicContact CD2-CB 4.07Å; L537-A575 HydrophobicContact CG-CB 3.75Å; G573-A575 VanDerWaalsContact C-N 3.29Å; G573-A575 PolarHBondContact O-N 3.44Å; A575-C579 WeakPolarHBondContact O-CB 3.23Å; A575-C579 PolarHBondContact O-N 3.43Å; A575-Y666 HydrophobicContact CB-CD2 3.86Å; A575-Y666 HydrophobicContact CB-CE2 4.45Å; A575-Y666 HydrophobicContact CB-CG 4.17Å
576	V	87.3	Confident	75.7	Confident	52 Å²	52	65.6 Å²	65.6	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-58.8	-55.7	-179.9	178.8	0	0	0	0	109.8	N574 N580 Y666	N574-V576 VanDerWaalsContact C-N 3.27Å; N574-V576 PolarHBondContact O-N 2.98Å; V576-N580 WeakPolarHBondContact O-CB 3.35Å; V576-N580 PolarHBondContact O-N 2.98Å; V576-N580 PolarHBondContact O-ND2 2.76Å; V576-N580 VanDerWaalsContact O-ND2 3.08Å; V576-N580 PolarHBondContact O-OD1 2.69Å; V576-Y666 HydrophobicContact CG2-CD2 3.89Å; V576-Y666 HydrophobicContact CG2-CG 4.5Å
577	Q	86.6	Confident	73.5	Confident	145 Å²	145	71.1 Å²	71.1	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-71.6	-39.1	-177.3	-68.9	-177.9	-10	0	0	112.8	N574	N574-Q577 PolarHBondContact ND2-OE1 2.8Å; N574-Q577 PolarHBondContact OD1-N 2.79Å
578	L	86.4	Confident	71.1	Confident	54 Å²	54	76.3 Å²	76.3	28%	0.283	39%	0.39	S	S	.	.	H	α-helix	trans	-75.6	-34	-174.3	-71	179.2	0	0	0	113.5	R567 D569 N574	R567-L578 HydrophobicContact CB-CB 4.41Å; R567-L578 WeakPolarHBondContact CD-O 3.37Å; R567-L578 PolarHBondContact NE-O 2.82Å; D569-L578 HydrophobicContact CB-CD1 3.5Å; N574-L578 WeakPolarHBondContact O-CB 3.26Å; N574-L578 WeakPolarHBondContact O-CG 3.24Å; N574-L578 PolarHBondContact O-N 2.84Å
579	C	85.2	Confident	68.7	Low	12 Å²	12	85.9 Å²	85.9	8%	0.081	43%	0.426	C	S	.	.	H	α-helix	trans	-101.1	-1.7	-174.6	-58.9	0	0	0	0	114	C532 A533 C536 A575 G581 L582	C532-C579 HydrophobicContact CB-CB 3.78Å; C532-C579 WeakPolarHBondContact CB-SG 3.22Å; C532-C579 PolarHBondContact O-SG 3.48Å; C532-C579 VanDerWaalsContact O-SG 3.42Å; C532-C579 WeakPolarHBondContact SG-CB 3.37Å; C532-C579 CovalentContact SG-SG 2.05Å; C532-C579 PolarHBondContact SG-SG 3.12Å; A533-C579 PolarHBondContact N-SG 3.35Å; A533-C579 VanDerWaalsContact N-SG 3.42Å; C536-C579 VanDerWaalsContact SG-SG 3.67Å; A575-C579 WeakPolarHBondContact O-CB 3.23Å; A575-C579 PolarHBondContact O-N 3.43Å; C579-G581 PolarHBondContact O-N 3.16Å; C579-L582 PolarHBondContact O-N 3.32Å
580	N	70.9	Confident	66.5	Low	105 Å²	105	89.4 Å²	89.4	56%	0.561	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	130.1	172.8	-86.1	-9	0	0	0	111	V576	V576-N580 WeakPolarHBondContact O-CB 3.35Å; V576-N580 PolarHBondContact O-N 2.98Å; V576-N580 PolarHBondContact O-ND2 2.76Å; V576-N580 VanDerWaalsContact O-ND2 3.08Å; V576-N580 PolarHBondContact O-OD1 2.69Å
581	G	58	Low	64.7	Low	44 Å²	44	98.5 Å²	98.5	45%	0.454	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	8.1	-179.6	0	0	0	0	0	116.2	C579 I584	C579-G581 PolarHBondContact O-N 3.16Å; G581-I584 WeakPolarHBondContact O-CD1 3.29Å; G581-I584 VanDerWaalsContact O-CG1 3.23Å; G581-I584 WeakPolarHBondContact O-CG1 3.42Å
582	L	53.2	Low	63.4	Low	75 Å²	75	95 Å²	95	39%	0.393	47%	0.466	S	S	.	.			trans	-95.5	8.6	161	-78.9	174.9	0	0	0	112.9	C532 R567 C579 I584	C532-L582 HydrophobicContact CB-CD1 4.09Å; R567-L582 VanDerWaalsContact NH1-CD1 3.34Å; C579-L582 PolarHBondContact O-N 3.32Å; L582-I584 PolarHBondContact O-N 2.99Å
583	Q	45.9	Very low	62.9	Low	107 Å²	107	96.1 Å²	96.1	50%	0.5	47%	0.471	S	S	.	.			trans	-79.8	14	166.4	-73.4	175.2	-30	0	0	112.5	D585	Q583-D585 PolarHBondContact O-N 3.12Å; Q583-D585 VanDerWaalsContact O-N 3.07Å
584	I	39.8	Very low	62.7	Low	140 Å²	140	102.3 Å²	102.3	72%	0.718	50%	0.501	S	S	*	.			trans	-88.6	45.1	-173.5	-48	173.1	0	0	0	111.5	G581 L582	G581-I584 WeakPolarHBondContact O-CD1 3.29Å; G581-I584 VanDerWaalsContact O-CG1 3.23Å; G581-I584 WeakPolarHBondContact O-CG1 3.42Å; L582-I584 PolarHBondContact O-N 2.99Å
585	D	34.4	Very low	62.7	Low	138 Å²	138	104.5 Å²	104.5	74%	0.738	51%	0.508	S	S	*	.			trans	-160.2	74.7	156.4	-108.1	-13.6	0	0	0	107.8	Q583 E587	Q583-D585 PolarHBondContact O-N 3.12Å; Q583-D585 VanDerWaalsContact O-N 3.07Å; D585-E587 PolarHBondContact O-N 3.16Å
586	D	35.9	Very low	62.7	Low	138 Å²	138	108.8 Å²	108.8	74%	0.738	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	12.2	-169.6	-99.7	-31.6	0	0	0	116.1
587	E	36.9	Very low	62.8	Low	168 Å²	168	108.7 Å²	108.7	79%	0.785	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-14.5	-176.5	-65.9	-160	160.3	0	0	116.3	D585 R591	D585-E587 PolarHBondContact O-N 3.16Å; E587-R591 PolarHBondContact O-NH2 3.39Å; E587-R591 VanDerWaalsContact O-NH2 3.12Å
588	Q	39	Very low	62.8	Low	152 Å²	152	107.5 Å²	107.5	71%	0.71	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-24.7	-173.8	-89.2	-179.5	11.1	0	0	117.5
589	W	40.9	Very low	62.8	Low	210 Å²	210	105.1 Å²	105.1	80%	0.795	51%	0.505	S	S	*	.	S	Bend	trans	-119.7	-1.6	-167.1	-67.5	99.8	0	0	0	116.6
590	Q	47.3	Very low	62.8	Low	93 Å²	93	105.4 Å²	105.4	44%	0.435	51%	0.505	S	S	.	.			trans	-124	24.6	-179.8	-78.7	-78.8	-27.8	0	0	113.2	A592	Q590-A592 VanDerWaalsContact C-N 3.33Å; Q590-A592 PolarHBondContact O-N 3.18Å
591	R	56.3	Low	63.6	Low	191 Å²	191	103 Å²	103	72%	0.721	49%	0.491	S	S	*	.			trans	-77	92.9	168.6	-126.4	-179.9	-68	131.9	1.8	107.4	E587 E593	E587-R591 PolarHBondContact O-NH2 3.39Å; E587-R591 VanDerWaalsContact O-NH2 3.12Å; R591-E593 PolarHBondContact O-N 3.36Å
592	A	65.4	Low	64.7	Low	16 Å²	16	104.2 Å²	104.2	13%	0.132	49%	0.493	C	S	.	.			trans	-42.3	134.7	164.2	0	0	0	0	0	108.2	Q590 E594 T669 R672	Q590-A592 VanDerWaalsContact C-N 3.33Å; Q590-A592 PolarHBondContact O-N 3.18Å; A592-E594 PolarHBondContact O-N 3.26Å; A592-E594 VanDerWaalsContact O-N 3.12Å; A592-T669 HydrophobicContact CB-CG2 3.72Å; A592-R672 HydrophobicContact CB-CG 4.06Å
593	E	79.8	Confident	66.2	Low	134 Å²	134	102 Å²	102	63%	0.626	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	124.4	-174.7	-177.4	180	169.6	0	0	108.8	R591 L670 L671 R672	R591-E593 PolarHBondContact O-N 3.36Å; E593-L670 PolarHBondContact N-O 2.83Å; E593-L671 HydrophobicContact CB-CD1 3.92Å; E593-L671 HydrophobicContact CG-CD1 4.08Å; E593-L671 WeakPolarHBondContact O-CD1 3.35Å; E593-R672 PolarHBondContact O-N 2.84Å
594	E	87	Confident	68.3	Low	131 Å²	131	98.9 Å²	98.9	61%	0.612	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.6	177.3	-72.9	-168.8	165.8	0	0	109.2	A592 R672	A592-E594 PolarHBondContact O-N 3.26Å; A592-E594 VanDerWaalsContact O-N 3.12Å; E594-R672 CarbonylContact C-O 3.56Å; E594-R672 WeakPolarHBondContact CA-O 3.48Å; E594-R672 HydrophobicContact CG-CB 4.04Å; E594-R672 IonicContact OE1-NE 3.31Å
595	K	89.7	Confident	70.7	Confident	88 Å²	88	92.9 Å²	92.9	38%	0.383	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.3	-178.4	-171.3	173.2	-179.3	-179.7	0	110	L671 R672 V673 N674	K595-L671 HydrophobicContact CB-CD1 4.09Å; K595-R672 PolarHBondContact N-O 2.64Å; K595-V673 CarbonylContact O-C 3.59Å; K595-V673 VanDerWaalsContact O-CA 3.28Å; K595-V673 WeakPolarHBondContact O-CA 3.33Å; K595-N674 PolarHBondContact O-N 3.33Å
596	L	90.2	Very high	73.4	Confident	92 Å²	92	89.2 Å²	89.2	48%	0.482	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.9	171.1	-167.6	67.8	0	0	0	109.1	Y598 N674 H676	L596-Y598 HydrophobicContact CD2-CE2 3.73Å; L596-Y598 WeakPolarHBondContact CD2-OH 3.27Å; L596-Y598 HydrophobicContact CG-CE2 3.98Å; L596-N674 HydrophobicContact CD1-CB 3.92Å; L596-H676 VanDerWaalsContact CD1-CD2 3.4Å; L596-H676 WeakPolarHBondContact CD1-CD2 3.45Å
597	M	88.9	Confident	76.1	Confident	49 Å²	49	82.7 Å²	82.7	24%	0.241	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.5	-179.6	-168.9	147	-174.5	0	0	110.7	T605 L606 L607 V673 N674 M675 H676	M597-T605 HydrophobicContact CE-CG2 3.88Å; M597-L606 WeakPolarHBondContact CE-O 3.3Å; M597-L607 HydrophobicContact CG-CD2 4.48Å; M597-L607 HydrophobicContact SD-CD2 3.77Å; M597-V673 HydrophobicContact CB-CG1 3.85Å; M597-N674 PolarHBondContact N-O 3.25Å; M597-M675 CarbonylContact O-C 3.6Å; M597-M675 WeakPolarHBondContact O-CA 3.41Å; M597-H676 PolarHBondContact O-N 3.35Å
598	Y	87.4	Confident	78.7	Confident	120 Å²	120	80.2 Å²	80.2	47%	0.471	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.8	174	-64.8	-87.5	0	0	0	109	L596 H676 L678	L596-Y598 HydrophobicContact CD2-CE2 3.73Å; L596-Y598 WeakPolarHBondContact CD2-OH 3.27Å; L596-Y598 HydrophobicContact CG-CE2 3.98Å; Y598-H676 CarbonylContact C-O 3.59Å; Y598-H676 WeakPolarHBondContact CA-O 3.45Å; Y598-H676 HydrophobicContact CD1-CB 3.7Å; Y598-H676 HydrophobicContact CE1-CB 3.89Å; Y598-L678 HydrophobicContact CD1-CD1 4.47Å; Y598-L678 HydrophobicContact CD1-CD2 4.45Å; Y598-L678 HydrophobicContact CD1-CG 4.49Å
599	S	86.7	Confident	81.1	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.028	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	159.6	172.2	-177.3	0	0	0	0	109.6	T605 V649 H676 V677 L678	S599-T605 WeakPolarHBondContact CB-OG1 3.48Å; S599-T605 PolarHBondContact OG-OG1 3.37Å; S599-V649 WeakPolarHBondContact OG-CG2 3.48Å; S599-H676 PolarHBondContact N-O 3.47Å; S599-V677 CarbonylContact O-C 3.57Å; S599-V677 WeakPolarHBondContact O-CA 3.28Å; S599-L678 PolarHBondContact O-N 2.77Å
600	I	86.1	Confident	83.3	Confident	18 Å²	18	67.4 Å²	67.4	9%	0.092	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142	178.6	-53	171	0	0	0	107	N603 L678 L683 V746	I600-N603 HydrophobicContact CB-CB 4.47Å; I600-N603 VanDerWaalsContact O-CB 3.28Å; I600-N603 WeakPolarHBondContact O-CB 3.33Å; I600-N603 PolarHBondContact O-N 3.13Å; I600-L678 WeakPolarHBondContact CA-O 3.28Å; I600-L683 HydrophobicContact CB-CD1 4.28Å; I600-L683 HydrophobicContact CD1-CD1 3.62Å; I600-L683 HydrophobicContact CG1-CD1 3.73Å; I600-L683 HydrophobicContact CG2-CD1 3.6Å; I600-V746 HydrophobicContact CD1-CB 4.42Å; I600-V746 HydrophobicContact CD1-CG1 3.88Å; I600-V746 HydrophobicContact CD1-CG2 3.6Å
601	E	86.1	Confident	85.2	Confident	54 Å²	54	63.6 Å²	63.6	25%	0.252	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	142.6	175.4	-165.3	154.3	-130	0	0	111.3	N603 V649 S651 V677 L678	E601-N603 PolarHBondContact O-N 3.38Å; E601-N603 VanDerWaalsContact O-N 3.09Å; E601-V649 WeakPolarHBondContact CA-O 3.39Å; E601-S651 PolarHBondContact OE1-N 2.85Å; E601-S651 VanDerWaalsContact OE1-N 3.1Å; E601-S651 PolarHBondContact OE1-OG 2.88Å; E601-V677 HydrophobicContact CB-CG1 4.37Å; E601-L678 PolarHBondContact N-O 2.63Å
602	S	82.7	Confident	86.5	Confident	71 Å²	71	61.6 Å²	61.6	50%	0.497	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	-8.4	-175	-52.3	0	0	0	0	116.6	H648 V649	S602-H648 PolarHBondContact O-ND1 3.15Å; S602-V649 PolarHBondContact N-O 2.81Å
603	N	84.6	Confident	87.6	Confident	29 Å²	29	61.3 Å²	61.3	16%	0.155	30%	0.301	C	S	.	.			trans	-74	157.7	173.6	-75.5	9.2	0	0	0	112.9	I600 E601 H648 V649 Y740	I600-N603 HydrophobicContact CB-CB 4.47Å; I600-N603 VanDerWaalsContact O-CB 3.28Å; I600-N603 WeakPolarHBondContact O-CB 3.33Å; I600-N603 PolarHBondContact O-N 3.13Å; E601-N603 PolarHBondContact O-N 3.38Å; E601-N603 VanDerWaalsContact O-N 3.09Å; N603-H648 WeakPolarHBondContact O-CA 3.35Å; N603-V649 WeakPolarHBondContact O-CG2 3.27Å; N603-V649 PolarHBondContact O-N 3.23Å; N603-Y740 HydrophobicContact CB-CE2 4.24Å; N603-Y740 VanDerWaalsContact CG-CE2 3.44Å; N603-Y740 PolarHBondContact ND2-OH 3.49Å; N603-Y740 WeakPolarHBondContact OD1-CE2 3.48Å; N603-Y740 VanDerWaalsContact OD1-CZ 3.31Å; N603-Y740 PolarHBondContact OD1-OH 2.94Å
604	T	88.2	Confident	88.1	Confident	41 Å²	41	58 Å²	58	25%	0.252	29%	0.288	S	S	.	.			trans	-78.9	138.7	161.9	-52.7	0	0	0	0	110.4	L645 F646 L647 I738	T604-L645 HydrophobicContact CG2-CD1 3.63Å; T604-F646 CarbonylContact C-O 3.52Å; T604-F646 WeakPolarHBondContact CA-O 3.48Å; T604-F646 VanDerWaalsContact CG2-O 3.25Å; T604-F646 WeakPolarHBondContact CG2-O 3.4Å; T604-L647 WeakPolarHBondContact CA-O 3.41Å; T604-L647 PolarHBondContact N-O 3.08Å; T604-L647 PolarHBondContact OG1-O 3.4Å; T604-I738 HydrophobicContact CG2-CD1 4.21Å
605	T	90.3	Very high	88.2	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	132.4	-179.6	-65.7	0	0	0	0	111	M597 S599 L607 F646 M675	M597-T605 HydrophobicContact CE-CG2 3.88Å; S599-T605 WeakPolarHBondContact CB-OG1 3.48Å; S599-T605 PolarHBondContact OG-OG1 3.37Å; T605-L607 HydrophobicContact CG2-CD2 4.1Å; T605-F646 PolarHBondContact N-O 2.73Å; T605-F646 PolarHBondContact O-N 2.82Å; T605-M675 HydrophobicContact CG2-CE 4.19Å
606	L	91.9	Very high	88.2	Confident	61 Å²	61	50.2 Å²	50.2	32%	0.319	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120	176.1	178.8	64.4	0	0	0	110.2	M597 E608 L644 L645	M597-L606 WeakPolarHBondContact CE-O 3.3Å; L606-E608 HydrophobicContact CD2-CG 3.6Å; L606-E608 HydrophobicContact CG-CG 3.73Å; L606-E608 PolarHBondContact O-N 2.95Å; L606-L644 CarbonylContact C-O 3.56Å; L606-L644 WeakPolarHBondContact CA-O 3.42Å; L606-L645 HydrophobicContact CB-CD1 4.18Å; L606-L645 HydrophobicContact CD1-CB 4.08Å; L606-L645 HydrophobicContact CD1-CD1 4.43Å
607	L	92.8	Very high	88.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	96.3	166.8	-49.6	-172.9	0	0	0	108	M597 T605 W620 G643 L644 F646 Y657 V673 M675	M597-L607 HydrophobicContact CG-CD2 4.48Å; M597-L607 HydrophobicContact SD-CD2 3.77Å; T605-L607 HydrophobicContact CG2-CD2 4.1Å; L607-W620 HydrophobicContact CB-CH2 3.84Å; L607-W620 HydrophobicContact CB-CZ2 4.33Å; L607-W620 HydrophobicContact CB-CZ3 4.36Å; L607-W620 VanDerWaalsContact O-CZ2 3.25Å; L607-W620 WeakPolarHBondContact O-CZ2 3.36Å; L607-G643 CarbonylContact O-C 3.55Å; L607-G643 WeakPolarHBondContact O-CA 3.19Å; L607-L644 HydrophobicContact CB-CB 4.25Å; L607-L644 HydrophobicContact CD1-CD1 4.44Å; L607-L644 PolarHBondContact N-O 3.45Å; L607-L644 PolarHBondContact O-N 2.72Å; L607-F646 HydrophobicContact CD1-CE2 3.76Å; L607-F646 HydrophobicContact CD1-CZ 4.48Å; L607-F646 HydrophobicContact CG-CD2 4.4Å; L607-F646 HydrophobicContact CG-CE2 3.95Å; L607-Y657 HydrophobicContact CD1-CD1 4.05Å; L607-Y657 HydrophobicContact CD1-CD2 3.74Å; L607-Y657 HydrophobicContact CD1-CE1 4.47Å; L607-Y657 HydrophobicContact CD1-CE2 4.19Å; L607-Y657 HydrophobicContact CD1-CG 3.66Å; L607-V673 HydrophobicContact CD2-CG1 4.13Å; L607-M675 HydrophobicContact CD1-SD 4.17Å; L607-M675 HydrophobicContact CD2-SD 4.08Å
608	E	91.3	Very high	88.1	Confident	115 Å²	115	51.1 Å²	51.1	54%	0.537	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.1	-178.4	-65.5	-179.9	162.9	0	0	111.8	L606 H642 L671	L606-E608 HydrophobicContact CD2-CG 3.6Å; L606-E608 HydrophobicContact CG-CG 3.73Å; L606-E608 PolarHBondContact O-N 2.95Å; E608-H642 WeakPolarHBondContact CA-O 3.08Å; E608-L671 WeakPolarHBondContact O-CD2 3.41Å
609	C	89.8	Confident	88.2	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.041	24%	0.241	C	C	.	.			trans	-147.6	103.5	166.7	-175.7	0	0	0	0	109	W620 H642 C659 L671	C609-W620 HydrophobicContact CB-CH2 3.8Å; C609-W620 HydrophobicContact CB-CZ2 3.25Å; C609-H642 CarbonylContact C-O 3.5Å; C609-H642 PolarHBondContact N-O 3.04Å; C609-H642 CarbonylContact O-C 3.51Å; C609-C659 HydrophobicContact CB-CB 3.67Å; C609-C659 WeakPolarHBondContact CB-SG 3.47Å; C609-C659 WeakPolarHBondContact SG-CB 3.47Å; C609-C659 CovalentContact SG-SG 2.02Å; C609-C659 PolarHBondContact SG-SG 3.44Å; C609-L671 HydrophobicContact CB-CD2 4.41Å
610	V	86.8	Confident	88.5	Confident	87 Å²	87	46.9 Å²	46.9	53%	0.527	24%	0.24	S	C	.	.			trans	-111.5	114.1	-177.8	-176.5	0	0	0	0	108.6	H642	V610-H642 HydrophobicContact CG2-CB 4.26Å
611	P	86.7	Confident	88.8	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.091	24%	0.243	C	C	.	.			trans	-69.8	151.4	176.8	31	-35.9	0	0	0	110.7	S613 A616 V618 T661 L670	P611-S613 VanDerWaalsContact C-N 3.35Å; P611-S613 WeakPolarHBondContact CG-O 3.33Å; P611-A616 HydrophobicContact CB-CB 4.17Å; P611-A616 HydrophobicContact CG-CB 4.46Å; P611-V618 HydrophobicContact CG-CG2 3.71Å; P611-T661 HydrophobicContact CB-CG2 3.82Å; P611-L670 HydrophobicContact CB-CD1 4Å
612	R	84.3	Confident	89.2	Confident	149 Å²	149	46.1 Å²	46.1	56%	0.562	24%	0.236	S	C	*	.	S	Bend	trans	-66.6	-39.4	173	-173.3	-178.5	-70.4	-136.1	6	112	I39 L527 Y528	I39-R612 HydrophobicContact CD1-CG 4.48Å; L527-R612 VanDerWaalsContact O-CD 3.3Å; L527-R612 WeakPolarHBondContact O-CD 3.47Å; L527-R612 PolarHBondContact O-NH1 2.99Å; Y528-R612 WeakPolarHBondContact O-CD 3.13Å
613	S	89.2	Confident	89.5	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.063	22%	0.224	C	C	.	.			trans	-83.3	122.9	172.7	178	0	0	0	0	110	R38 P611 Q615 A616 E663	R38-S613 WeakPolarHBondContact CG-OG 3.34Å; R38-S613 CarbonylContact O-C 3.5Å; R38-S613 VanDerWaalsContact O-CA 3.24Å; R38-S613 WeakPolarHBondContact O-CA 3.32Å; P611-S613 VanDerWaalsContact C-N 3.35Å; P611-S613 WeakPolarHBondContact CG-O 3.33Å; S613-Q615 PolarHBondContact O-N 3.34Å; S613-Q615 PolarHBondContact OG-N 3.08Å; S613-Q615 VanDerWaalsContact OG-N 3.16Å; S613-A616 PolarHBondContact O-N 2.94Å; S613-E663 WeakPolarHBondContact CB-OE1 3.19Å; S613-E663 PolarHBondContact OG-OE1 3.31Å
614	L	89.6	Confident	89.3	Confident	66 Å²	66	48.5 Å²	48.5	35%	0.346	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.7	171.9	-50	175.4	0	0	0	112.6	P37 R38 R40	P37-L614 HydrophobicContact CG-CD1 4.23Å; P37-L614 WeakPolarHBondContact O-CB 3.03Å; R38-L614 PolarHBondContact O-N 2.95Å; R40-L614 HydrophobicContact CB-CD1 3.88Å
615	Q	89	Confident	88.6	Confident	39 Å²	39	50.9 Å²	50.9	18%	0.182	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-14.1	173	-58.8	178.2	-7	0	0	111.9	S34 Y36 R38 L484 S613	S34-Q615 WeakPolarHBondContact OG-CG 2.99Å; S34-Q615 PolarHBondContact OG-NE2 2.72Å; Y36-Q615 WeakPolarHBondContact O-CG 3.03Å; Y36-Q615 PolarHBondContact O-NE2 3.4Å; R38-Q615 HydrophobicContact CB-CG 4.42Å; L484-Q615 PolarHBondContact O-NE2 3.36Å; L484-Q615 VanDerWaalsContact O-NE2 3.1Å; S613-Q615 PolarHBondContact O-N 3.34Å; S613-Q615 PolarHBondContact OG-N 3.08Å; S613-Q615 VanDerWaalsContact OG-N 3.16Å
616	A	88.9	Confident	87.8	Confident	15 Å²	15	53.4 Å²	53.4	12%	0.124	30%	0.299	C	S	.	.	S	Bend	trans	-77.3	134.9	-179.9	0	0	0	0	0	111.6	P611 S613 T661 E663	P611-A616 HydrophobicContact CB-CB 4.17Å; P611-A616 HydrophobicContact CG-CB 4.46Å; S613-A616 PolarHBondContact O-N 2.94Å; A616-T661 HydrophobicContact CB-CG2 4.41Å; A616-E663 HydrophobicContact CB-CB 4.12Å
617	K	88.8	Confident	87.4	Confident	138 Å²	138	56.6 Å²	56.6	60%	0.6	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.7	171.8	-174.5	-177.1	179.3	-169.8	0	109.6	L619 T661 V662	K617-L619 HydrophobicContact CD-CD2 4.15Å; K617-L619 HydrophobicContact CG-CD2 4.35Å; K617-T661 CarbonylContact O-C 3.59Å; K617-T661 VanDerWaalsContact O-CA 3.26Å; K617-T661 WeakPolarHBondContact O-CA 3.34Å; K617-V662 PolarHBondContact N-O 2.8Å; K617-V662 PolarHBondContact O-N 3.1Å
618	V	89	Confident	87	Confident	23 Å²	23	61.1 Å²	61.1	14%	0.139	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.8	174.7	-174.9	0	0	0	0	110	P611 C659 Q660 T661	P611-V618 HydrophobicContact CG-CG2 3.71Å; V618-C659 VanDerWaalsContact CG1-SG 3.54Å; V618-Q660 CarbonylContact C-O 3.57Å; V618-T661 HydrophobicContact CG2-CG2 4.34Å
619	L	90.5	Very high	86.9	Confident	31 Å²	31	60 Å²	60	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.2	175	-60	178.3	0	0	0	109	K617 F621 Q660 V662	K617-L619 HydrophobicContact CD-CD2 4.15Å; K617-L619 HydrophobicContact CG-CD2 4.35Å; L619-F621 HydrophobicContact CB-CE2 3.79Å; L619-F621 HydrophobicContact CB-CZ 4.28Å; L619-F621 HydrophobicContact CD1-CZ 4.45Å; L619-Q660 PolarHBondContact N-O 2.71Å; L619-Q660 PolarHBondContact O-N 3.27Å; L619-V662 HydrophobicContact CD1-CG2 3.63Å; L619-V662 HydrophobicContact CG-CG2 4.37Å
620	W	92.9	Very high	87	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.2	179.2	-77.6	94.1	0	0	0	110.9	L607 C609 E630 V631 L644 V658 C659 V673	L607-W620 HydrophobicContact CB-CH2 3.84Å; L607-W620 HydrophobicContact CB-CZ2 4.33Å; L607-W620 HydrophobicContact CB-CZ3 4.36Å; L607-W620 VanDerWaalsContact O-CZ2 3.25Å; L607-W620 WeakPolarHBondContact O-CZ2 3.36Å; C609-W620 HydrophobicContact CB-CH2 3.8Å; C609-W620 HydrophobicContact CB-CZ2 3.25Å; W620-E630 WeakPolarHBondContact O-CA 3.35Å; W620-V631 HydrophobicContact CB-CB 4.02Å; W620-V631 HydrophobicContact CB-CG2 4.17Å; W620-V631 PolarHBondContact O-N 2.02Å; W620-L644 HydrophobicContact CB-CD1 3.72Å; W620-L644 HydrophobicContact CB-CD2 4.01Å; W620-L644 HydrophobicContact CB-CG 4.03Å; W620-L644 HydrophobicContact CD2-CD1 3.53Å; W620-L644 HydrophobicContact CD2-CD2 4.36Å; W620-L644 HydrophobicContact CD2-CG 3.56Å; W620-L644 HydrophobicContact CE3-CD1 3.72Å; W620-L644 HydrophobicContact CE3-CG 4.2Å; W620-L644 HydrophobicContact CG-CD1 3.56Å; W620-L644 HydrophobicContact CG-CD2 3.74Å; W620-L644 HydrophobicContact CG-CG 3.47Å; W620-L644 VanDerWaalsContact CG-CG 3.47Å; W620-L644 HydrophobicContact CZ2-CG 4.37Å; W620-L644 HydrophobicContact CZ3-CD1 4.45Å; W620-V658 WeakPolarHBondContact CA-O 3.47Å; W620-C659 HydrophobicContact CD2-CB 4.17Å; W620-C659 HydrophobicContact CE3-CB 4Å; W620-C659 HydrophobicContact CH2-CB 3.88Å; W620-C659 HydrophobicContact CZ2-CB 4.03Å; W620-C659 HydrophobicContact CZ3-CB 3.85Å; W620-V673 HydrophobicContact CH2-CG2 4.34Å; W620-V673 HydrophobicContact CZ3-CG2 4.39Å
621	F	92.6	Very high	87.1	Confident	32 Å²	32	61.5 Å²	61.5	14%	0.14	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.8	177	-60.3	-91.3	0	0	0	110.1	L619 K628 H629 E630 Y657 V658 Q660	L619-F621 HydrophobicContact CB-CE2 3.79Å; L619-F621 HydrophobicContact CB-CZ 4.28Å; L619-F621 HydrophobicContact CD1-CZ 4.45Å; F621-K628 HydrophobicContact CB-CB 4.17Å; F621-K628 HydrophobicContact CD1-CB 4.16Å; F621-K628 HydrophobicContact CG-CB 4.4Å; F621-H629 CarbonylContact C-O 3.58Å; F621-H629 VanDerWaalsContact CA-O 3.25Å; F621-H629 WeakPolarHBondContact CA-O 3.49Å; F621-E630 HydrophobicContact CD1-CB 4.05Å; F621-E630 HydrophobicContact CE1-CB 3.85Å; F621-E630 HydrophobicContact CE1-CG 4.23Å; F621-Y657 CarbonylContact O-C 3.55Å; F621-Y657 VanDerWaalsContact O-CA 3.32Å; F621-Y657 WeakPolarHBondContact O-CA 3.25Å; F621-V658 HydrophobicContact CB-CB 4.39Å; F621-V658 PolarHBondContact N-O 3.37Å; F621-V658 PolarHBondContact O-N 3.02Å; F621-Q660 HydrophobicContact CD2-CB 4.49Å; F621-Q660 HydrophobicContact CD2-CG 4.08Å; F621-Q660 HydrophobicContact CE2-CB 4.15Å; F621-Q660 HydrophobicContact CE2-CG 4.09Å; F621-Q660 VanDerWaalsContact CE2-OE1 3.23Å
622	L	92.5	Very high	87.2	Confident	23 Å²	23	70.3 Å²	70.3	12%	0.12	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.9	168	-179.8	58.7	0	0	0	108.1	K624 H629 V631 Y657	L622-K624 HydrophobicContact CD2-CD 3.92Å; L622-K624 VanDerWaalsContact CD2-CE 3.49Å; L622-K624 HydrophobicContact CD2-CG 4.44Å; L622-K624 HydrophobicContact CG-CD 4.16Å; L622-K624 HydrophobicContact CG-CG 4.15Å; L622-H629 PolarHBondContact N-O 3.01Å; L622-H629 PolarHBondContact O-N 3.34Å; L622-V631 HydrophobicContact CB-CG2 4.06Å; L622-Y657 HydrophobicContact CB-CE1 4.37Å; L622-Y657 HydrophobicContact CD1-CD1 4.21Å; L622-Y657 HydrophobicContact CD1-CD2 4.21Å; L622-Y657 HydrophobicContact CD1-CE1 3.92Å; L622-Y657 HydrophobicContact CD1-CE2 3.91Å; L622-Y657 HydrophobicContact CD1-CG 4.35Å
623	E	89.5	Confident	87.2	Confident	52 Å²	52	65.4 Å²	65.4	24%	0.243	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	110.8	179.1	-169.6	164.4	-147.1	0	0	109.2	E627 M656 V658 R672	E623-E627 WeakPolarHBondContact CA-O 3.32Å; E623-M656 HydrophobicContact CB-CB 4.15Å; E623-M656 HydrophobicContact CB-CG 4.16Å; E623-M656 PolarHBondContact N-O 3.47Å; E623-V658 HydrophobicContact CB-CG2 4.41Å; E623-R672 IonicContact OE2-CZ 2.63Å; E623-R672 IonicContact OE2-NH1 2.67Å; E623-R672 PolarHBondContact OE2-NH1 3.42Å; E623-R672 IonicContact OE2-NH2 3.3Å; E623-R672 PolarHBondContact OE2-NH2 3.15Å
624	K	81.1	Confident	87.1	Confident	99 Å²	99	69.2 Å²	69.2	43%	0.43	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.3	179.4	-83.3	177.9	172	172.6	0	108.9	L622 G626 E627	L622-K624 HydrophobicContact CD2-CD 3.92Å; L622-K624 VanDerWaalsContact CD2-CE 3.49Å; L622-K624 HydrophobicContact CD2-CG 4.44Å; L622-K624 HydrophobicContact CG-CD 4.16Å; L622-K624 HydrophobicContact CG-CG 4.15Å; K624-G626 PolarHBondContact O-N 3.02Å; K624-E627 PolarHBondContact N-O 2.83Å; K624-E627 PolarHBondContact O-N 2.76Å; K624-E627 VanDerWaalsContact O-N 3.08Å
625	G	73.5	Confident	87	Confident	91 Å²	91	75.3 Å²	75.3	94%	0.938	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	22.3	176.6	0	0	0	0	0	115.4	E627	G625-E627 VanDerWaalsContact C-N 3.33Å
626	G	73.4	Confident	87.1	Confident	67 Å²	67	75.1 Å²	75.1	69%	0.691	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-5.9	-176.1	0	0	0	0	0	114.7	K624	K624-G626 PolarHBondContact O-N 3.02Å
627	E	82.4	Confident	87.2	Confident	128 Å²	128	74.8 Å²	74.8	60%	0.598	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	145.7	172.3	-66.4	-168.7	168.1	0	0	111.4	E623 K624 G625 H629	E623-E627 WeakPolarHBondContact CA-O 3.32Å; K624-E627 PolarHBondContact N-O 2.83Å; K624-E627 PolarHBondContact O-N 2.76Å; K624-E627 VanDerWaalsContact O-N 3.08Å; G625-E627 VanDerWaalsContact C-N 3.33Å; E627-H629 IonicContact OE2-CE1 3.57Å; E627-H629 IonicContact OE2-NE2 3.66Å
628	K	86	Confident	87.2	Confident	95 Å²	95	71.7 Å²	71.7	41%	0.413	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.3	176	-70.2	-178.5	-178.8	176.5	0	109.5	F621	F621-K628 HydrophobicContact CB-CB 4.17Å; F621-K628 HydrophobicContact CD1-CB 4.16Å; F621-K628 HydrophobicContact CG-CB 4.4Å
629	H	89.1	Confident	87.2	Confident	93 Å²	93	73.7 Å²	73.7	43%	0.431	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.3	174.3	-56.8	-74.2	0	0	0	109.8	F621 L622 E627 V631	F621-H629 CarbonylContact C-O 3.58Å; F621-H629 VanDerWaalsContact CA-O 3.25Å; F621-H629 WeakPolarHBondContact CA-O 3.49Å; L622-H629 PolarHBondContact N-O 3.01Å; L622-H629 PolarHBondContact O-N 3.34Å; E627-H629 IonicContact OE2-CE1 3.57Å; E627-H629 IonicContact OE2-NE2 3.66Å; H629-V631 PolarHBondContact O-N 2.83Å
630	E	90.9	Very high	86.9	Confident	97 Å²	97	74.6 Å²	74.6	45%	0.453	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	127.3	176.5	-171.5	-179	-168.8	0	0	110.1	W620 F621 R632	W620-E630 WeakPolarHBondContact O-CA 3.35Å; F621-E630 HydrophobicContact CD1-CB 4.05Å; F621-E630 HydrophobicContact CE1-CB 3.85Å; F621-E630 HydrophobicContact CE1-CG 4.23Å; E630-R632 PolarHBondContact O-N 2.91Å
631	V	90.2	Very high	86.1	Confident	26 Å²	26	78.4 Å²	78.4	16%	0.158	43%	0.432	C	S	.	.			trans	-75.7	111.4	176.7	-178.2	0	0	0	0	108	W620 L622 H629 V637 L644 Y657	W620-V631 HydrophobicContact CB-CB 4.02Å; W620-V631 HydrophobicContact CB-CG2 4.17Å; W620-V631 PolarHBondContact O-N 2.02Å; L622-V631 HydrophobicContact CB-CG2 4.06Å; H629-V631 PolarHBondContact O-N 2.83Å; V631-V637 HydrophobicContact CG1-CG1 4.35Å; V631-L644 HydrophobicContact CB-CD1 4.34Å; V631-L644 HydrophobicContact CG1-CD1 4.01Å; V631-L644 HydrophobicContact CG1-CD2 4.08Å; V631-L644 HydrophobicContact CG2-CD1 4.3Å; V631-Y657 HydrophobicContact CG2-CD1 4.16Å; V631-Y657 HydrophobicContact CG2-CE1 4.16Å
632	R	87.5	Confident	85.4	Confident	199 Å²	199	82.1 Å²	82.1	75%	0.751	45%	0.45	S	S	*	.			trans	-94	136.5	171.5	-63.7	-174.2	177.7	-167.5	-0.5	109.1	E630	E630-R632 PolarHBondContact O-N 2.91Å
633	G	85.6	Confident	85.2	Confident	47 Å²	47	81 Å²	81	49%	0.485	44%	0.444	S	S	.	.			trans	-65.8	147.7	176	0	0	0	0	0	111.7	V637	G633-V637 CarbonylContact C-O 3.44Å; G633-V637 WeakPolarHBondContact CA-O 3.25Å
634	D	87.2	Confident	85.3	Confident	88 Å²	88	78.6 Å²	78.6	47%	0.471	43%	0.432	S	S	.	.			trans	-135.9	-171.3	172.9	67.9	18.7	0	0	0	109.7	R636 V637	D634-R636 PolarHBondContact O-N 3.12Å; D634-R636 VanDerWaalsContact O-N 3.1Å; D634-R636 WeakPolarHBondContact OD1-CA 3.07Å; D634-R636 WeakPolarHBondContact OD1-CB 3.16Å; D634-R636 PolarHBondContact OD1-N 3.31Å; D634-V637 PolarHBondContact N-O 3.39Å; D634-V637 PolarHBondContact OD1-N 3.44Å
635	E	85.8	Confident	85.9	Confident	194 Å²	194	76 Å²	76	91%	0.907	42%	0.423	S	S	*	.	S	Bend	trans	-60.7	-19	179.3	-65.5	-176.9	170.8	0	0	113.6	L647	E635-L647 WeakPolarHBondContact O-CD1 3.37Å
636	R	90.9	Very high	86.8	Confident	36 Å²	36	71.9 Å²	71.9	14%	0.136	38%	0.379	C	S	.	.	S	Bend	trans	-108.8	-30.2	-175.1	-177.2	-177.7	68.3	89.7	-1.4	112.5	D634 F646 L647 H648 D653	D634-R636 PolarHBondContact O-N 3.12Å; D634-R636 VanDerWaalsContact O-N 3.1Å; D634-R636 WeakPolarHBondContact OD1-CA 3.07Å; D634-R636 WeakPolarHBondContact OD1-CB 3.16Å; D634-R636 PolarHBondContact OD1-N 3.31Å; R636-F646 CarbonylContact O-C 3.5Å; R636-L647 WeakPolarHBondContact O-CB 3.28Å; R636-L647 PolarHBondContact O-N 2.97Å; R636-H648 WeakPolarHBondContact CD-O 3.14Å; R636-H648 HydrophobicContact CG-CB 4.27Å; R636-H648 WeakPolarHBondContact CG-O 3.34Å; R636-H648 PolarHBondContact NH1-O 3.31Å; R636-D653 IonicContact CZ-OD1 2.91Å; R636-D653 IonicContact CZ-OD2 3.76Å; R636-D653 VanDerWaalsContact NH1-CG 3.34Å; R636-D653 IonicContact NH1-OD1 2.75Å; R636-D653 PolarHBondContact NH1-OD1 2.89Å; R636-D653 IonicContact NH1-OD2 3.92Å; R636-D653 PolarHBondContact NH1-OD2 2.82Å; R636-D653 IonicContact NH2-OD1 3.77Å; R636-D653 PolarHBondContact NH2-OD1 2.8Å; R636-D653 IonicContact NH2-OD2 3.01Å
637	V	91.2	Very high	87.6	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.042	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	106.1	-178.1	-173.6	0	0	0	0	108.7	V631 G633 D634 L645 F646	V631-V637 HydrophobicContact CG1-CG1 4.35Å; G633-V637 CarbonylContact C-O 3.44Å; G633-V637 WeakPolarHBondContact CA-O 3.25Å; D634-V637 PolarHBondContact N-O 3.39Å; D634-V637 PolarHBondContact OD1-N 3.44Å; V637-L645 CarbonylContact C-O 3.59Å; V637-L645 WeakPolarHBondContact CA-O 3.47Å; V637-F646 HydrophobicContact CG1-CD1 4.42Å; V637-F646 HydrophobicContact CG1-CE1 4.17Å; V637-F646 HydrophobicContact CG1-CZ 4.21Å; V637-F646 HydrophobicContact CG2-CD1 3.62Å; V637-F646 HydrophobicContact CG2-CE1 3.68Å; V637-F646 HydrophobicContact CG2-CG 4.42Å
638	I	89.6	Confident	87.9	Confident	73 Å²	73	70.6 Å²	70.6	37%	0.374	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.7	179.7	-54.4	177.8	0	0	0	108.8	T640 L645 L647	I638-T640 HydrophobicContact CG2-CG2 3.93Å; I638-L645 HydrophobicContact CB-CB 4.29Å; I638-L645 HydrophobicContact CD1-CD2 4.41Å; I638-L645 PolarHBondContact N-O 3.17Å; I638-L645 PolarHBondContact O-N 2.97Å; I638-L647 HydrophobicContact CD1-CD1 4.14Å; I638-L647 HydrophobicContact CD1-CD2 4.08Å; I638-L647 HydrophobicContact CD1-CG 4.24Å
639	V	88.1	Confident	88.1	Confident	66 Å²	66	66.1 Å²	66.1	40%	0.4	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.3	172.9	-173.8	0	0	0	0	108.6	L644	V639-L644 HydrophobicContact CB-CD2 4.18Å; V639-L644 HydrophobicContact CG1-CD2 4.1Å; V639-L644 HydrophobicContact CG2-CD2 3.69Å
640	T	83.8	Confident	88.2	Confident	49 Å²	49	68.7 Å²	68.7	30%	0.301	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	167.6	179.4	75.7	0	0	0	0	111	I638 H642 G643	I638-T640 HydrophobicContact CG2-CG2 3.93Å; T640-H642 PolarHBondContact O-N 2.8Å; T640-H642 PolarHBondContact OG1-N 2.76Å; T640-H642 VanDerWaalsContact OG1-N 3.15Å; T640-G643 PolarHBondContact N-O 3.08Å; T640-G643 PolarHBondContact O-N 2.89Å; T640-G643 PolarHBondContact OG1-N 2.9Å; T640-G643 VanDerWaalsContact OG1-N 3.08Å; T640-G643 PolarHBondContact OG1-O 2.84Å
641	S	76.2	Confident	88	Confident	84 Å²	84	65.9 Å²	65.9	59%	0.587	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.5	170.4	52.3	0	0	0	0	113.9
642	H	77.9	Confident	87.9	Confident	111 Å²	111	68.3 Å²	68.3	51%	0.514	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-8.6	-177.9	-62.9	-71.6	0	0	0	113.5	E608 C609 V610 T640	E608-H642 WeakPolarHBondContact CA-O 3.08Å; C609-H642 CarbonylContact C-O 3.5Å; C609-H642 PolarHBondContact N-O 3.04Å; C609-H642 CarbonylContact O-C 3.51Å; V610-H642 HydrophobicContact CG2-CB 4.26Å; T640-H642 PolarHBondContact O-N 2.8Å; T640-H642 PolarHBondContact OG1-N 2.76Å; T640-H642 VanDerWaalsContact OG1-N 3.15Å
643	G	88.6	Confident	88	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.5	-171.2	-174.9	0	0	0	0	0	115	L607 T640	L607-G643 CarbonylContact O-C 3.55Å; L607-G643 WeakPolarHBondContact O-CA 3.19Å; T640-G643 PolarHBondContact N-O 3.08Å; T640-G643 PolarHBondContact O-N 2.89Å; T640-G643 PolarHBondContact OG1-N 2.9Å; T640-G643 VanDerWaalsContact OG1-N 3.08Å; T640-G643 PolarHBondContact OG1-O 2.84Å
644	L	92.4	Very high	88.3	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.6	174.4	-65.1	176.8	0	0	0	110.9	L606 L607 W620 V631 V639 F646 Y657	L606-L644 CarbonylContact C-O 3.56Å; L606-L644 WeakPolarHBondContact CA-O 3.42Å; L607-L644 HydrophobicContact CB-CB 4.25Å; L607-L644 HydrophobicContact CD1-CD1 4.44Å; L607-L644 PolarHBondContact N-O 3.45Å; L607-L644 PolarHBondContact O-N 2.72Å; W620-L644 HydrophobicContact CB-CD1 3.72Å; W620-L644 HydrophobicContact CB-CD2 4.01Å; W620-L644 HydrophobicContact CB-CG 4.03Å; W620-L644 HydrophobicContact CD2-CD1 3.53Å; W620-L644 HydrophobicContact CD2-CD2 4.36Å; W620-L644 HydrophobicContact CD2-CG 3.56Å; W620-L644 HydrophobicContact CE3-CD1 3.72Å; W620-L644 HydrophobicContact CE3-CG 4.2Å; W620-L644 HydrophobicContact CG-CD1 3.56Å; W620-L644 HydrophobicContact CG-CD2 3.74Å; W620-L644 HydrophobicContact CG-CG 3.47Å; W620-L644 VanDerWaalsContact CG-CG 3.47Å; W620-L644 HydrophobicContact CZ2-CG 4.37Å; W620-L644 HydrophobicContact CZ3-CD1 4.45Å; V631-L644 HydrophobicContact CB-CD1 4.34Å; V631-L644 HydrophobicContact CG1-CD1 4.01Å; V631-L644 HydrophobicContact CG1-CD2 4.08Å; V631-L644 HydrophobicContact CG2-CD1 4.3Å; V639-L644 HydrophobicContact CB-CD2 4.18Å; V639-L644 HydrophobicContact CG1-CD2 4.1Å; V639-L644 HydrophobicContact CG2-CD2 3.69Å; L644-F646 HydrophobicContact CB-CE2 3.98Å; L644-F646 HydrophobicContact CD1-CE2 4.46Å; L644-Y657 HydrophobicContact CD1-CD1 3.87Å; L644-Y657 HydrophobicContact CD1-CE1 4.23Å
645	L	92.9	Very high	88.5	Confident	46 Å²	46	55.7 Å²	55.7	24%	0.241	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.3	174.5	178.8	65.6	0	0	0	110.2	T604 L606 V637 I638 L647	T604-L645 HydrophobicContact CG2-CD1 3.63Å; L606-L645 HydrophobicContact CB-CD1 4.18Å; L606-L645 HydrophobicContact CD1-CB 4.08Å; L606-L645 HydrophobicContact CD1-CD1 4.43Å; V637-L645 CarbonylContact C-O 3.59Å; V637-L645 WeakPolarHBondContact CA-O 3.47Å; I638-L645 HydrophobicContact CB-CB 4.29Å; I638-L645 HydrophobicContact CD1-CD2 4.41Å; I638-L645 PolarHBondContact N-O 3.17Å; I638-L645 PolarHBondContact O-N 2.97Å; L645-L647 HydrophobicContact CD2-CD2 4.09Å; L645-L647 HydrophobicContact CG-CD2 4.31Å
646	F	92.9	Very high	88.8	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.8	168.3	-65.5	-102	0	0	0	108.2	T604 T605 L607 R636 V637 L644 V649 D653 Y657 M675	T604-F646 CarbonylContact C-O 3.52Å; T604-F646 WeakPolarHBondContact CA-O 3.48Å; T604-F646 VanDerWaalsContact CG2-O 3.25Å; T604-F646 WeakPolarHBondContact CG2-O 3.4Å; T605-F646 PolarHBondContact N-O 2.73Å; T605-F646 PolarHBondContact O-N 2.82Å; L607-F646 HydrophobicContact CD1-CE2 3.76Å; L607-F646 HydrophobicContact CD1-CZ 4.48Å; L607-F646 HydrophobicContact CG-CD2 4.4Å; L607-F646 HydrophobicContact CG-CE2 3.95Å; R636-F646 CarbonylContact O-C 3.5Å; V637-F646 HydrophobicContact CG1-CD1 4.42Å; V637-F646 HydrophobicContact CG1-CE1 4.17Å; V637-F646 HydrophobicContact CG1-CZ 4.21Å; V637-F646 HydrophobicContact CG2-CD1 3.62Å; V637-F646 HydrophobicContact CG2-CE1 3.68Å; V637-F646 HydrophobicContact CG2-CG 4.42Å; L644-F646 HydrophobicContact CB-CE2 3.98Å; L644-F646 HydrophobicContact CD1-CE2 4.46Å; F646-V649 HydrophobicContact CB-CG2 3.58Å; F646-V649 HydrophobicContact CD1-CG2 4.45Å; F646-V649 HydrophobicContact CG-CG2 4.12Å; F646-D653 HydrophobicContact CD1-CB 4.47Å; F646-D653 HydrophobicContact CE1-CB 4.03Å; F646-Y657 AromaticContact CZ-CE1 3.83Å; F646-Y657 HydrophobicContact CZ-CE1 3.83Å; F646-Y657 AromaticContact CZ-CZ 3.73Å; F646-M675 HydrophobicContact CE2-SD 4.45Å
647	L	90.6	Very high	88.9	Confident	56 Å²	56	46.7 Å²	46.7	29%	0.293	26%	0.258	S	S	.	.	S	Bend	trans	-70.3	-42.2	174.4	-62.7	-177.8	0	0	0	111.2	T604 E635 R636 I638 L645	T604-L647 WeakPolarHBondContact CA-O 3.41Å; T604-L647 PolarHBondContact N-O 3.08Å; T604-L647 PolarHBondContact OG1-O 3.4Å; E635-L647 WeakPolarHBondContact O-CD1 3.37Å; R636-L647 WeakPolarHBondContact O-CB 3.28Å; R636-L647 PolarHBondContact O-N 2.97Å; I638-L647 HydrophobicContact CD1-CD1 4.14Å; I638-L647 HydrophobicContact CD1-CD2 4.08Å; I638-L647 HydrophobicContact CD1-CG 4.24Å; L645-L647 HydrophobicContact CD2-CD2 4.09Å; L645-L647 HydrophobicContact CG-CD2 4.31Å
648	H	88.4	Confident	89	Confident	112 Å²	112	46.3 Å²	46.3	52%	0.519	26%	0.256	S	S	.	.	S	Bend	trans	-136.9	115.7	174.6	-58.5	-64.5	0	0	0	110.1	S602 N603 R636	S602-H648 PolarHBondContact O-ND1 3.15Å; N603-H648 WeakPolarHBondContact O-CA 3.35Å; R636-H648 WeakPolarHBondContact CD-O 3.14Å; R636-H648 HydrophobicContact CG-CB 4.27Å; R636-H648 WeakPolarHBondContact CG-O 3.34Å; R636-H648 PolarHBondContact NH1-O 3.31Å
649	V	90.2	Very high	89.1	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	24%	0.238	C	C	.	.			trans	-80.6	139.9	179.2	173.2	0	0	0	0	111.2	S599 E601 S602 N603 F646 M675 V677	S599-V649 WeakPolarHBondContact OG-CG2 3.48Å; E601-V649 WeakPolarHBondContact CA-O 3.39Å; S602-V649 PolarHBondContact N-O 2.81Å; N603-V649 WeakPolarHBondContact O-CG2 3.27Å; N603-V649 PolarHBondContact O-N 3.23Å; F646-V649 HydrophobicContact CB-CG2 3.58Å; F646-V649 HydrophobicContact CD1-CG2 4.45Å; F646-V649 HydrophobicContact CG-CG2 4.12Å; V649-M675 HydrophobicContact CB-CE 4.22Å; V649-M675 HydrophobicContact CG1-CE 3.47Å; V649-M675 VanDerWaalsContact CG1-CE 3.47Å; V649-M675 HydrophobicContact CG2-CE 3.61Å; V649-V677 HydrophobicContact CG1-CB 4.23Å; V649-V677 HydrophobicContact CG1-CG1 3.68Å; V649-V677 HydrophobicContact CG1-CG2 3.49Å; V649-V677 VanDerWaalsContact CG1-CG2 3.49Å
650	R	90.9	Very high	89.3	Confident	146 Å²	146	41 Å²	41	55%	0.551	23%	0.225	S	C	*	.			trans	-116.6	153.3	176.4	-64.7	-179.2	175.7	-177.9	0.1	110.1	S652 D653	R650-S652 PolarHBondContact O-N 3.18Å; R650-D653 PolarHBondContact N-OD2 2.82Å; R650-D653 WeakPolarHBondContact O-CB 3.39Å; R650-D653 PolarHBondContact O-N 3.06Å
651	S	87.4	Confident	89.5	Confident	39 Å²	39	39.3 Å²	39.3	27%	0.273	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-51.1	-30.4	172.5	-66.5	0	0	0	0	113.9	E601 D653 A654	E601-S651 PolarHBondContact OE1-N 2.85Å; E601-S651 VanDerWaalsContact OE1-N 3.1Å; E601-S651 PolarHBondContact OE1-OG 2.88Å; S651-D653 VanDerWaalsContact C-N 3.31Å; S651-D653 PolarHBondContact O-N 3.26Å; S651-A654 PolarHBondContact O-N 2.96Å
652	S	88.4	Confident	90.1	Very high	77 Å²	77	37.2 Å²	37.2	54%	0.538	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-75.7	-11.2	178.1	54.7	0	0	0	0	115.4	R650 A654	R650-S652 PolarHBondContact O-N 3.18Å; S652-A654 VanDerWaalsContact C-N 3.28Å
653	D	89.9	Confident	90.7	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.064	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-81.7	-9.3	175.7	-57.7	-42	0	0	0	112.3	R636 F646 R650 S651 G655 Y657	R636-D653 IonicContact CZ-OD1 2.91Å; R636-D653 IonicContact CZ-OD2 3.76Å; R636-D653 VanDerWaalsContact NH1-CG 3.34Å; R636-D653 IonicContact NH1-OD1 2.75Å; R636-D653 PolarHBondContact NH1-OD1 2.89Å; R636-D653 IonicContact NH1-OD2 3.92Å; R636-D653 PolarHBondContact NH1-OD2 2.82Å; R636-D653 IonicContact NH2-OD1 3.77Å; R636-D653 PolarHBondContact NH2-OD1 2.8Å; R636-D653 IonicContact NH2-OD2 3.01Å; F646-D653 HydrophobicContact CD1-CB 4.47Å; F646-D653 HydrophobicContact CE1-CB 4.03Å; R650-D653 PolarHBondContact N-OD2 2.82Å; R650-D653 WeakPolarHBondContact O-CB 3.39Å; R650-D653 PolarHBondContact O-N 3.06Å; S651-D653 VanDerWaalsContact C-N 3.31Å; S651-D653 PolarHBondContact O-N 3.26Å; D653-G655 PolarHBondContact O-N 3.27Å; D653-Y657 WeakPolarHBondContact O-CE2 3.38Å; D653-Y657 PolarHBondContact O-OH 2.83Å
654	A	90.3	Very high	90.6	Very high	39 Å²	39	36.7 Å²	36.7	32%	0.322	20%	0.196	S	C	.	.			trans	-60.4	136.5	175.9	0	0	0	0	0	110.8	S651 S652 M675 V677	S651-A654 PolarHBondContact O-N 2.96Å; S652-A654 VanDerWaalsContact C-N 3.28Å; A654-M675 VanDerWaalsContact CA-O 3.27Å; A654-M675 WeakPolarHBondContact CA-O 3.25Å; A654-V677 HydrophobicContact CB-CB 4.34Å; A654-V677 HydrophobicContact CB-CG2 4.01Å
655	G	91.4	Very high	90.2	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.9	-176.6	-179.7	0	0	0	0	0	114.4	D653 M675	D653-G655 PolarHBondContact O-N 3.27Å; G655-M675 PolarHBondContact N-O 3.44Å; G655-M675 PolarHBondContact O-N 3.12Å
656	M	92.5	Very high	89.9	Confident	34 Å²	34	38.9 Å²	38.9	17%	0.167	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.4	179.4	177	94.6	-71.5	0	0	109.9	E623 V658 R672 V673 N674	E623-M656 HydrophobicContact CB-CB 4.15Å; E623-M656 HydrophobicContact CB-CG 4.16Å; E623-M656 PolarHBondContact N-O 3.47Å; M656-V658 HydrophobicContact CG-CG2 4.28Å; M656-R672 HydrophobicContact CE-CB 3.93Å; M656-R672 HydrophobicContact SD-CB 4.13Å; M656-R672 PolarHBondContact SD-NH2 3.37Å; M656-R672 VanDerWaalsContact SD-NH2 3.45Å; M656-V673 WeakPolarHBondContact CE-O 3.14Å; M656-N674 VanDerWaalsContact CE-CA 3.47Å; M656-N674 HydrophobicContact CE-CB 3.62Å
657	Y	93.9	Very high	89.7	Confident	6 Å²	6	42.4 Å²	42.4	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.5	172.6	-68.1	-94.7	0	0	0	110	L607 F621 L622 V631 L644 F646 D653 R672 V673 M675	L607-Y657 HydrophobicContact CD1-CD1 4.05Å; L607-Y657 HydrophobicContact CD1-CD2 3.74Å; L607-Y657 HydrophobicContact CD1-CE1 4.47Å; L607-Y657 HydrophobicContact CD1-CE2 4.19Å; L607-Y657 HydrophobicContact CD1-CG 3.66Å; F621-Y657 CarbonylContact O-C 3.55Å; F621-Y657 VanDerWaalsContact O-CA 3.32Å; F621-Y657 WeakPolarHBondContact O-CA 3.25Å; L622-Y657 HydrophobicContact CB-CE1 4.37Å; L622-Y657 HydrophobicContact CD1-CD1 4.21Å; L622-Y657 HydrophobicContact CD1-CD2 4.21Å; L622-Y657 HydrophobicContact CD1-CE1 3.92Å; L622-Y657 HydrophobicContact CD1-CE2 3.91Å; L622-Y657 HydrophobicContact CD1-CG 4.35Å; V631-Y657 HydrophobicContact CG2-CD1 4.16Å; V631-Y657 HydrophobicContact CG2-CE1 4.16Å; L644-Y657 HydrophobicContact CD1-CD1 3.87Å; L644-Y657 HydrophobicContact CD1-CE1 4.23Å; F646-Y657 AromaticContact CZ-CE1 3.83Å; F646-Y657 HydrophobicContact CZ-CE1 3.83Å; F646-Y657 AromaticContact CZ-CZ 3.73Å; D653-Y657 WeakPolarHBondContact O-CE2 3.38Å; D653-Y657 PolarHBondContact O-OH 2.83Å; Y657-R672 CarbonylContact O-C 3.54Å; Y657-R672 WeakPolarHBondContact O-CA 3.41Å; Y657-V673 PolarHBondContact N-O 2.89Å; Y657-V673 PolarHBondContact O-N 2.89Å; Y657-M675 HydrophobicContact CD2-CB 4Å; Y657-M675 HydrophobicContact CE2-CB 3.91Å; Y657-M675 HydrophobicContact CE2-SD 3.93Å
658	V	92.7	Very high	89.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.2	-179.6	-175.1	0	0	0	0	108.3	W620 F621 E623 M656 Q660 T669 R672	W620-V658 WeakPolarHBondContact CA-O 3.47Å; F621-V658 HydrophobicContact CB-CB 4.39Å; F621-V658 PolarHBondContact N-O 3.37Å; F621-V658 PolarHBondContact O-N 3.02Å; E623-V658 HydrophobicContact CB-CG2 4.41Å; M656-V658 HydrophobicContact CG-CG2 4.28Å; V658-Q660 HydrophobicContact CG1-CG 4.06Å; V658-T669 HydrophobicContact CG1-CG2 3.43Å; V658-T669 VanDerWaalsContact CG1-CG2 3.43Å; V658-R672 HydrophobicContact CG1-CG 4.44Å; V658-R672 HydrophobicContact CG2-CG 4.4Å
659	C	92.4	Very high	89.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.1	172.1	179.8	0	0	0	0	109.8	C609 V618 W620 L670 L671	C609-C659 HydrophobicContact CB-CB 3.67Å; C609-C659 WeakPolarHBondContact CB-SG 3.47Å; C609-C659 WeakPolarHBondContact SG-CB 3.47Å; C609-C659 CovalentContact SG-SG 2.02Å; C609-C659 PolarHBondContact SG-SG 3.44Å; V618-C659 VanDerWaalsContact CG1-SG 3.54Å; W620-C659 HydrophobicContact CD2-CB 4.17Å; W620-C659 HydrophobicContact CE3-CB 4Å; W620-C659 HydrophobicContact CH2-CB 3.88Å; W620-C659 HydrophobicContact CZ2-CB 4.03Å; W620-C659 HydrophobicContact CZ3-CB 3.85Å; C659-L670 PolarHBondContact O-N 3.45Å; C659-L671 HydrophobicContact CB-CB 4.09Å; C659-L671 PolarHBondContact N-O 3.48Å
660	Q	90.8	Very high	89.2	Confident	27 Å²	27	39.9 Å²	39.9	13%	0.126	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.6	174.5	-59.6	-166.4	-35.6	0	0	110.7	V618 L619 F621 V658 V667 H668 T669	V618-Q660 CarbonylContact C-O 3.57Å; L619-Q660 PolarHBondContact N-O 2.71Å; L619-Q660 PolarHBondContact O-N 3.27Å; F621-Q660 HydrophobicContact CD2-CB 4.49Å; F621-Q660 HydrophobicContact CD2-CG 4.08Å; F621-Q660 HydrophobicContact CE2-CB 4.15Å; F621-Q660 HydrophobicContact CE2-CG 4.09Å; F621-Q660 VanDerWaalsContact CE2-OE1 3.23Å; V658-Q660 HydrophobicContact CG1-CG 4.06Å; Q660-V667 HydrophobicContact CB-CG1 4.38Å; Q660-H668 CarbonylContact C-O 3.54Å; Q660-H668 VanDerWaalsContact CA-O 3.23Å; Q660-H668 WeakPolarHBondContact CA-O 3.42Å; Q660-T669 HydrophobicContact CG-CG2 4.43Å; Q660-T669 PolarHBondContact NE2-OG1 2.82Å
661	T	88.9	Confident	89.1	Confident	13 Å²	13	33.6 Å²	33.6	8%	0.08	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.6	172.7	53.3	0	0	0	0	111.1	P611 A616 K617 V618 V667 H668 L670	P611-T661 HydrophobicContact CB-CG2 3.82Å; A616-T661 HydrophobicContact CB-CG2 4.41Å; K617-T661 CarbonylContact O-C 3.59Å; K617-T661 VanDerWaalsContact O-CA 3.26Å; K617-T661 WeakPolarHBondContact O-CA 3.34Å; V618-T661 HydrophobicContact CG2-CG2 4.34Å; T661-V667 CarbonylContact O-C 3.47Å; T661-V667 VanDerWaalsContact O-CA 3.3Å; T661-V667 WeakPolarHBondContact O-CA 3.48Å; T661-H668 PolarHBondContact N-O 2.84Å; T661-H668 PolarHBondContact O-N 2.96Å; T661-H668 PolarHBondContact OG1-O 2.79Å; T661-L670 HydrophobicContact CG2-CD1 3.34Å; T661-L670 HydrophobicContact CG2-CG 3.79Å
662	V	89	Confident	89.4	Confident	41 Å²	41	34.4 Å²	34.4	25%	0.248	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.5	174.1	-171.5	0	0	0	0	109.4	K617 L619 Y666 V667	K617-V662 PolarHBondContact N-O 2.8Å; K617-V662 PolarHBondContact O-N 3.1Å; L619-V662 HydrophobicContact CD1-CG2 3.63Å; L619-V662 HydrophobicContact CG-CG2 4.37Å; V662-Y666 VanDerWaalsContact CA-O 3.32Å; V662-Y666 WeakPolarHBondContact CA-O 3.4Å; V662-V667 HydrophobicContact CG2-CG2 4.13Å
663	E	89.8	Confident	89.6	Confident	15 Å²	15	30.8 Å²	30.8	7%	0.07	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124	178.1	-173.2	176.7	-147.9	0	0	109.4	R38 L537 S613 A616 G665 Y666	R38-E663 IonicContact CZ-OE1 2.96Å; R38-E663 IonicContact CZ-OE2 3.34Å; R38-E663 IonicContact NH1-OE1 3.74Å; R38-E663 PolarHBondContact NH1-OE1 3.28Å; R38-E663 IonicContact NH1-OE2 3.48Å; R38-E663 PolarHBondContact NH1-OE2 3.09Å; R38-E663 IonicContact NH2-OE2 2.8Å; R38-E663 PolarHBondContact NH2-OE2 2.79Å; R38-E663 VanDerWaalsContact NH2-OE2 3.15Å; L537-E663 HydrophobicContact CD1-CB 4.35Å; L537-E663 HydrophobicContact CD2-CB 4.35Å; L537-E663 HydrophobicContact CD2-CG 4.12Å; L537-E663 WeakPolarHBondContact CD2-O 3.27Å; S613-E663 WeakPolarHBondContact CB-OE1 3.19Å; S613-E663 PolarHBondContact OG-OE1 3.31Å; A616-E663 HydrophobicContact CB-CB 4.12Å; E663-G665 PolarHBondContact O-N 3.47Å; E663-G665 VanDerWaalsContact O-N 3.09Å; E663-Y666 PolarHBondContact N-O 2.71Å; E663-Y666 WeakPolarHBondContact O-CB 3.35Å; E663-Y666 PolarHBondContact O-N 3.49Å
664	H	86.3	Confident	89.7	Confident	85 Å²	85	33 Å²	33	39%	0.394	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	39.4	-176	-62.2	84.3	0	0	0	113.8	L537 R539 Y666	L537-H664 HydrophobicContact CD2-CB 3.84Å; R539-H664 PolarHBondContact NH1-NE2 2.99Å; R539-H664 VanDerWaalsContact NH1-NE2 3.11Å; H664-Y666 PolarHBondContact O-N 2.77Å
665	G	85.2	Confident	89.8	Confident	57 Å²	57	31.1 Å²	31.1	59%	0.588	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	-5.6	-179	0	0	0	0	0	115.4	E663	E663-G665 PolarHBondContact O-N 3.47Å; E663-G665 VanDerWaalsContact O-N 3.09Å
666	Y	86.7	Confident	89.8	Confident	34 Å²	34	33.9 Å²	33.9	13%	0.133	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.3	173.1	-170.4	-92.4	0	0	0	110.6	A533 L537 A575 V576 V662 E663 H664 H668	A533-Y666 HydrophobicContact CB-CD1 3.98Å; A533-Y666 HydrophobicContact CB-CD2 4.17Å; A533-Y666 HydrophobicContact CB-CE1 3.43Å; A533-Y666 VanDerWaalsContact CB-CE1 3.43Å; A533-Y666 HydrophobicContact CB-CE2 3.65Å; A533-Y666 HydrophobicContact CB-CG 4.33Å; A533-Y666 WeakPolarHBondContact CB-OH 3.48Å; L537-Y666 HydrophobicContact CD1-CD1 4.06Å; L537-Y666 HydrophobicContact CD1-CG 4.28Å; A575-Y666 HydrophobicContact CB-CD2 3.86Å; A575-Y666 HydrophobicContact CB-CE2 4.45Å; A575-Y666 HydrophobicContact CB-CG 4.17Å; V576-Y666 HydrophobicContact CG2-CD2 3.89Å; V576-Y666 HydrophobicContact CG2-CG 4.5Å; V662-Y666 VanDerWaalsContact CA-O 3.32Å; V662-Y666 WeakPolarHBondContact CA-O 3.4Å; E663-Y666 PolarHBondContact N-O 2.71Å; E663-Y666 WeakPolarHBondContact O-CB 3.35Å; E663-Y666 PolarHBondContact O-N 3.49Å; H664-Y666 PolarHBondContact O-N 2.77Å; Y666-H668 HydrophobicContact CD1-CB 4.3Å; Y666-H668 HydrophobicContact CE1-CB 3.94Å
667	V	87.8	Confident	89.7	Confident	77 Å²	77	33.4 Å²	33.4	47%	0.467	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.8	178.9	-174.1	0	0	0	0	109.9	Q660 T661 V662	Q660-V667 HydrophobicContact CB-CG1 4.38Å; T661-V667 CarbonylContact O-C 3.47Å; T661-V667 VanDerWaalsContact O-CA 3.3Å; T661-V667 WeakPolarHBondContact O-CA 3.48Å; V662-V667 HydrophobicContact CG2-CG2 4.13Å
668	H	84.6	Confident	89.4	Confident	36 Å²	36	35.3 Å²	35.3	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130	178.8	-169	172.2	0	0	0	109.9	D534 Q660 T661 Y666	D534-H668 IonicContact OD1-ND1 3.6Å; Q660-H668 CarbonylContact C-O 3.54Å; Q660-H668 VanDerWaalsContact CA-O 3.23Å; Q660-H668 WeakPolarHBondContact CA-O 3.42Å; T661-H668 PolarHBondContact N-O 2.84Å; T661-H668 PolarHBondContact O-N 2.96Å; T661-H668 PolarHBondContact OG1-O 2.79Å; Y666-H668 HydrophobicContact CD1-CB 4.3Å; Y666-H668 HydrophobicContact CE1-CB 3.94Å
669	T	88	Confident	88.8	Confident	33 Å²	33	41.7 Å²	41.7	20%	0.202	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	112.1	168.9	-55.4	0	0	0	0	110	A592 V658 Q660 R672	A592-T669 HydrophobicContact CB-CG2 3.72Å; V658-T669 HydrophobicContact CG1-CG2 3.43Å; V658-T669 VanDerWaalsContact CG1-CG2 3.43Å; Q660-T669 HydrophobicContact CG-CG2 4.43Å; Q660-T669 PolarHBondContact NE2-OG1 2.82Å; T669-R672 HydrophobicContact CG2-CG 4.36Å
670	L	85.8	Confident	87.7	Confident	48 Å²	48	46.3 Å²	46.3	25%	0.251	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-44.8	-177.2	-70.3	-171.7	0	0	0	113.2	E593 P611 C659 T661	E593-L670 PolarHBondContact N-O 2.83Å; P611-L670 HydrophobicContact CB-CD1 4Å; C659-L670 PolarHBondContact O-N 3.45Å; T661-L670 HydrophobicContact CG2-CD1 3.34Å; T661-L670 HydrophobicContact CG2-CG 3.79Å
671	L	89.8	Confident	86.5	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	140.2	-167.9	-176.7	75.3	0	0	0	110.3	E593 K595 E608 C609 C659 V673	E593-L671 HydrophobicContact CB-CD1 3.92Å; E593-L671 HydrophobicContact CG-CD1 4.08Å; E593-L671 WeakPolarHBondContact O-CD1 3.35Å; K595-L671 HydrophobicContact CB-CD1 4.09Å; E608-L671 WeakPolarHBondContact O-CD2 3.41Å; C609-L671 HydrophobicContact CB-CD2 4.41Å; C659-L671 HydrophobicContact CB-CB 4.09Å; C659-L671 PolarHBondContact N-O 3.48Å; L671-V673 HydrophobicContact CD2-CG2 3.37Å; L671-V673 HydrophobicContact CG-CG2 3.67Å
672	R	92.4	Very high	85.3	Confident	56 Å²	56	55.8 Å²	55.8	21%	0.211	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.2	170.5	-66.5	173.3	69.1	82.4	10	108	A592 E593 E594 K595 E623 M656 Y657 V658 T669	A592-R672 HydrophobicContact CB-CG 4.06Å; E593-R672 PolarHBondContact O-N 2.84Å; E594-R672 CarbonylContact C-O 3.56Å; E594-R672 WeakPolarHBondContact CA-O 3.48Å; E594-R672 HydrophobicContact CG-CB 4.04Å; E594-R672 IonicContact OE1-NE 3.31Å; K595-R672 PolarHBondContact N-O 2.64Å; E623-R672 IonicContact OE2-CZ 2.63Å; E623-R672 IonicContact OE2-NH1 2.67Å; E623-R672 PolarHBondContact OE2-NH1 3.42Å; E623-R672 IonicContact OE2-NH2 3.3Å; E623-R672 PolarHBondContact OE2-NH2 3.15Å; M656-R672 HydrophobicContact CE-CB 3.93Å; M656-R672 HydrophobicContact SD-CB 4.13Å; M656-R672 PolarHBondContact SD-NH2 3.37Å; M656-R672 VanDerWaalsContact SD-NH2 3.45Å; Y657-R672 CarbonylContact O-C 3.54Å; Y657-R672 WeakPolarHBondContact O-CA 3.41Å; V658-R672 HydrophobicContact CG1-CG 4.44Å; V658-R672 HydrophobicContact CG2-CG 4.4Å; T669-R672 HydrophobicContact CG2-CG 4.36Å
673	V	93.4	Very high	84	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.8	-178.6	-172.4	0	0	0	0	110.5	K595 M597 L607 W620 M656 Y657 L671 M675	K595-V673 CarbonylContact O-C 3.59Å; K595-V673 VanDerWaalsContact O-CA 3.28Å; K595-V673 WeakPolarHBondContact O-CA 3.33Å; M597-V673 HydrophobicContact CB-CG1 3.85Å; L607-V673 HydrophobicContact CD2-CG1 4.13Å; W620-V673 HydrophobicContact CH2-CG2 4.34Å; W620-V673 HydrophobicContact CZ3-CG2 4.39Å; M656-V673 WeakPolarHBondContact CE-O 3.14Å; Y657-V673 PolarHBondContact N-O 2.89Å; Y657-V673 PolarHBondContact O-N 2.89Å; L671-V673 HydrophobicContact CD2-CG2 3.37Å; L671-V673 HydrophobicContact CG-CG2 3.67Å; V673-M675 PolarHBondContact O-N 2.91Å
674	N	93.2	Very high	82.5	Confident	58 Å²	58	59 Å²	59	31%	0.31	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	102.1	173.3	-173.6	9.5	0	0	0	108.7	K595 L596 M597 M656 H676	K595-N674 PolarHBondContact O-N 3.33Å; L596-N674 HydrophobicContact CD1-CB 3.92Å; M597-N674 PolarHBondContact N-O 3.25Å; M656-N674 VanDerWaalsContact CE-CA 3.47Å; M656-N674 HydrophobicContact CE-CB 3.62Å; N674-H676 PolarHBondContact ND2-NE2 3Å
675	M	92.4	Very high	81.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.3	-176.7	-176	174.6	173.7	0	0	110.2	M597 T605 L607 F646 V649 A654 G655 Y657 V673 V677	M597-M675 CarbonylContact O-C 3.6Å; M597-M675 WeakPolarHBondContact O-CA 3.41Å; T605-M675 HydrophobicContact CG2-CE 4.19Å; L607-M675 HydrophobicContact CD1-SD 4.17Å; L607-M675 HydrophobicContact CD2-SD 4.08Å; F646-M675 HydrophobicContact CE2-SD 4.45Å; V649-M675 HydrophobicContact CB-CE 4.22Å; V649-M675 HydrophobicContact CG1-CE 3.47Å; V649-M675 VanDerWaalsContact CG1-CE 3.47Å; V649-M675 HydrophobicContact CG2-CE 3.61Å; A654-M675 VanDerWaalsContact CA-O 3.27Å; A654-M675 WeakPolarHBondContact CA-O 3.25Å; G655-M675 PolarHBondContact N-O 3.44Å; G655-M675 PolarHBondContact O-N 3.12Å; Y657-M675 HydrophobicContact CD2-CB 4Å; Y657-M675 HydrophobicContact CE2-CB 3.91Å; Y657-M675 HydrophobicContact CE2-SD 3.93Å; V673-M675 PolarHBondContact O-N 2.91Å; M675-V677 HydrophobicContact CE-CG2 4.06Å; M675-V677 HydrophobicContact CG-CG2 4.49Å
676	H	91.1	Very high	79.8	Confident	75 Å²	75	58.7 Å²	58.7	35%	0.347	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.8	169.9	-71	-80.8	0	0	0	110.1	L596 M597 Y598 S599 N674	L596-H676 VanDerWaalsContact CD1-CD2 3.4Å; L596-H676 WeakPolarHBondContact CD1-CD2 3.45Å; M597-H676 PolarHBondContact O-N 3.35Å; Y598-H676 CarbonylContact C-O 3.59Å; Y598-H676 WeakPolarHBondContact CA-O 3.45Å; Y598-H676 HydrophobicContact CD1-CB 3.7Å; Y598-H676 HydrophobicContact CE1-CB 3.89Å; S599-H676 PolarHBondContact N-O 3.47Å; N674-H676 PolarHBondContact ND2-NE2 3Å
677	V	90	Very high	78.1	Confident	24 Å²	24	59.5 Å²	59.5	15%	0.145	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119.4	177.1	-176.7	0	0	0	0	109.3	S599 E601 V649 A654 M675	S599-V677 CarbonylContact O-C 3.57Å; S599-V677 WeakPolarHBondContact O-CA 3.28Å; E601-V677 HydrophobicContact CB-CG1 4.37Å; V649-V677 HydrophobicContact CG1-CB 4.23Å; V649-V677 HydrophobicContact CG1-CG1 3.68Å; V649-V677 HydrophobicContact CG1-CG2 3.49Å; V649-V677 VanDerWaalsContact CG1-CG2 3.49Å; A654-V677 HydrophobicContact CB-CB 4.34Å; A654-V677 HydrophobicContact CB-CG2 4.01Å; M675-V677 HydrophobicContact CE-CG2 4.06Å; M675-V677 HydrophobicContact CG-CG2 4.49Å
678	L	87	Confident	76.3	Confident	47 Å²	47	62.4 Å²	62.4	25%	0.246	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.1	175.7	-59.3	177	0	0	0	109	Y598 S599 I600 E601 L683	Y598-L678 HydrophobicContact CD1-CD1 4.47Å; Y598-L678 HydrophobicContact CD1-CD2 4.45Å; Y598-L678 HydrophobicContact CD1-CG 4.49Å; S599-L678 PolarHBondContact O-N 2.77Å; I600-L678 WeakPolarHBondContact CA-O 3.28Å; E601-L678 PolarHBondContact N-O 2.63Å; L678-L683 HydrophobicContact CB-CD1 4.36Å
679	R	80.8	Confident	74.6	Confident	133 Å²	133	69.2 Å²	69.2	50%	0.502	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.4	142.2	171.5	-64.7	-175.2	-178	173.1	2.1	110	E681 I682	R679-E681 PolarHBondContact O-N 3.45Å; R679-I682 HydrophobicContact CB-CD1 4.12Å; R679-I682 HydrophobicContact CB-CG1 4.27Å; R679-I682 PolarHBondContact O-N 2.92Å; R679-I682 VanDerWaalsContact O-N 3.15Å
680	E	68.1	Low	72.4	Confident	98 Å²	98	72.2 Å²	72.2	46%	0.458	36%	0.358	S	S	.	.	H	α-helix	trans	-58.7	-36.3	-178.6	-166.3	172.7	177.3	0	0	112.3	I682 L683 Q684	E680-I682 VanDerWaalsContact C-N 3.31Å; E680-I682 PolarHBondContact O-N 2.92Å; E680-L683 WeakPolarHBondContact O-CB 3.45Å; E680-L683 PolarHBondContact O-N 2.82Å; E680-Q684 WeakPolarHBondContact O-CG 3.46Å; E680-Q684 PolarHBondContact O-N 3.03Å
681	E	66.4	Low	70.6	Confident	144 Å²	144	78 Å²	78	67%	0.673	39%	0.389	S	S	*	.	H	α-helix	trans	-60.3	-35.9	178.2	-61.7	170.4	176.1	0	0	113.5	R679 Q684 T685	R679-E681 PolarHBondContact O-N 3.45Å; E681-Q684 PolarHBondContact O-N 2.74Å; E681-T685 PolarHBondContact O-N 3.1Å; E681-T685 PolarHBondContact O-OG1 2.84Å
682	I	64.6	Low	68.2	Low	94 Å²	94	84 Å²	84	48%	0.482	42%	0.422	S	S	.	.	H	α-helix	trans	-73.4	-35.1	-178.6	-61.7	173.7	0	0	0	110.4	R679 E680 T685 A686	R679-I682 HydrophobicContact CB-CD1 4.12Å; R679-I682 HydrophobicContact CB-CG1 4.27Å; R679-I682 PolarHBondContact O-N 2.92Å; R679-I682 VanDerWaalsContact O-N 3.15Å; E680-I682 VanDerWaalsContact C-N 3.31Å; E680-I682 PolarHBondContact O-N 2.92Å; I682-T685 WeakPolarHBondContact CA-OG1 3.42Å; I682-T685 PolarHBondContact O-OG1 3.17Å; I682-A686 WeakPolarHBondContact O-CB 3.49Å; I682-A686 PolarHBondContact O-N 3.21Å
683	L	60.3	Low	66	Low	21 Å²	21	84.7 Å²	84.7	11%	0.11	45%	0.445	C	S	.	.	H	α-helix	trans	-67.5	-42.7	172.5	-82.2	154	0	0	0	110.9	I600 L678 E680 A686 M687 Y749	I600-L683 HydrophobicContact CB-CD1 4.28Å; I600-L683 HydrophobicContact CD1-CD1 3.62Å; I600-L683 HydrophobicContact CG1-CD1 3.73Å; I600-L683 HydrophobicContact CG2-CD1 3.6Å; L678-L683 HydrophobicContact CB-CD1 4.36Å; E680-L683 WeakPolarHBondContact O-CB 3.45Å; E680-L683 PolarHBondContact O-N 2.82Å; L683-A686 PolarHBondContact O-N 3.48Å; L683-M687 WeakPolarHBondContact O-CB 3.38Å; L683-M687 WeakPolarHBondContact O-CG 3.42Å; L683-M687 PolarHBondContact O-N 3.25Å; L683-Y749 HydrophobicContact CD2-CD1 3.58Å; L683-Y749 HydrophobicContact CD2-CD2 4.06Å; L683-Y749 HydrophobicContact CD2-CE1 3.73Å; L683-Y749 HydrophobicContact CD2-CE2 4.2Å; L683-Y749 HydrophobicContact CD2-CG 3.75Å
684	Q	58.1	Low	63.3	Low	103 Å²	103	92.4 Å²	92.4	48%	0.481	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-41.8	176.5	-65.7	-143.5	8.9	0	0	112.4	E680 E681 M687 H688	E680-Q684 WeakPolarHBondContact O-CG 3.46Å; E680-Q684 PolarHBondContact O-N 3.03Å; E681-Q684 PolarHBondContact O-N 2.74Å; Q684-M687 PolarHBondContact O-N 3.23Å; Q684-H688 WeakPolarHBondContact O-CB 3.27Å; Q684-H688 PolarHBondContact O-N 3.44Å; Q684-H688 PolarHBondContact O-ND1 2.78Å
685	T	58.1	Low	61	Low	93 Å²	93	93.8 Å²	93.8	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-69.1	-32.2	175.9	26.4	0	0	0	0	113.4	E681 I682 M687	E681-T685 PolarHBondContact O-N 3.1Å; E681-T685 PolarHBondContact O-OG1 2.84Å; I682-T685 WeakPolarHBondContact CA-OG1 3.42Å; I682-T685 PolarHBondContact O-OG1 3.17Å; T685-M687 VanDerWaalsContact C-N 3.33Å
686	A	58.3	Low	58.2	Low	43 Å²	43	97.9 Å²	97.9	36%	0.355	55%	0.549	S	S	.	.	H	α-helix	trans	-72.3	-27	173.2	0	0	0	0	0	113.1	I682 L683 Y749	I682-A686 WeakPolarHBondContact O-CB 3.49Å; I682-A686 PolarHBondContact O-N 3.21Å; L683-A686 PolarHBondContact O-N 3.48Å; A686-Y749 HydrophobicContact CB-CD2 4.38Å; A686-Y749 HydrophobicContact CB-CE2 3.66Å
687	M	50.2	Low	55.9	Low	50 Å²	50	99.9 Å²	99.9	25%	0.246	57%	0.571	C	S	.	*	H	α-helix	trans	-78.6	-30.1	175.3	-68	-83.8	-80.4	0	0	112.9	L683 Q684 T685 K745	L683-M687 WeakPolarHBondContact O-CB 3.38Å; L683-M687 WeakPolarHBondContact O-CG 3.42Å; L683-M687 PolarHBondContact O-N 3.25Å; Q684-M687 PolarHBondContact O-N 3.23Å; T685-M687 VanDerWaalsContact C-N 3.33Å; M687-K745 HydrophobicContact CE-CB 3.91Å; M687-K745 HydrophobicContact CE-CD 4.42Å; M687-K745 HydrophobicContact CE-CG 4.1Å
688	H	50.6	Low	53.1	Low	138 Å²	138	103.3 Å²	103.3	64%	0.639	60%	0.602	S	S	*	*			trans	-96.4	9.8	-175.4	-72.8	88	0	0	0	115.4	Q684 P690	Q684-H688 WeakPolarHBondContact O-CB 3.27Å; Q684-H688 PolarHBondContact O-N 3.44Å; Q684-H688 PolarHBondContact O-ND1 2.78Å; H688-P690 WeakPolarHBondContact O-CD 3.47Å; H688-P690 VanDerWaalsContact O-N 3.13Å
689	K	48.3	Very low	50.5	Low	180 Å²	180	109.4 Å²	109.4	78%	0.783	63%	0.629	S	S	*	*			trans	-67.3	109.7	167.9	-91.2	-172.6	174.7	-178	0	108.9	N691	K689-N691 PolarHBondContact O-N 2.77Å
690	P	41.2	Very low	48	Very low	96 Å²	96	108.9 Å²	108.9	62%	0.623	65%	0.645	S	S	*	*			trans	-66.7	136.4	173.4	-6.7	25	0	0	0	107.3	H688 D692	H688-P690 WeakPolarHBondContact O-CD 3.47Å; H688-P690 VanDerWaalsContact O-N 3.13Å; P690-D692 PolarHBondContact O-N 3.43Å
691	N	48.7	Very low	46.1	Very low	169 Å²	169	113.1 Å²	113.1	90%	0.904	66%	0.664	S	S	*	*			trans	-75.5	71.9	165.7	-161	50.1	0	0	0	107	K689 G693	K689-N691 PolarHBondContact O-N 2.77Å; N691-G693 PolarHBondContact O-N 3.25Å; N691-G693 VanDerWaalsContact O-N 3.08Å
692	D	38.8	Very low	44.2	Very low	141 Å²	141	111.2 Å²	111.2	75%	0.754	67%	0.667	S	S	*	*			trans	-70.5	105.1	169.9	-80.8	-25.7	0	0	0	107.1	P690 D694	P690-D692 PolarHBondContact O-N 3.43Å; D692-D694 PolarHBondContact O-N 2.99Å
693	G	46.3	Very low	42.5	Very low	69 Å²	69	114 Å²	114	71%	0.711	68%	0.681	S	S	*	*			trans	-65.4	115.5	170.8	0	0	0	0	0	109.1	N691	N691-G693 PolarHBondContact O-N 3.25Å; N691-G693 VanDerWaalsContact O-N 3.08Å
694	D	36.4	Very low	41.1	Very low	165 Å²	165	121.1 Å²	121.1	88%	0.882	72%	0.718	S	S	*	*			trans	-143.5	138.8	134.4	-113.6	-20.8	0	0	0	109.9	D692 A696	D692-D694 PolarHBondContact O-N 2.99Å; D694-A696 PolarHBondContact O-N 3.48Å
695	G	44.7	Very low	39.8	Very low	87 Å²	87	123.2 Å²	123.2	90%	0.897	73%	0.732	S	S	*	*			trans	-66.8	94.5	-172.9	0	0	0	0	0	112.5
696	A	34.7	Very low	38.3	Very low	86 Å²	86	124.7 Å²	124.7	71%	0.711	74%	0.743	S	S	*	*	S	Bend	trans	-153.6	135.4	154.4	0	0	0	0	0	109.4	D694 A698	D694-A696 PolarHBondContact O-N 3.48Å; A696-A698 PolarHBondContact O-N 3.36Å
697	S	41.8	Very low	36.9	Very low	116 Å²	116	127.1 Å²	127.1	81%	0.811	76%	0.763	S	S	*	*			trans	-52.7	103.1	-178	51.4	0	0	0	0	113.1	Q699	S697-Q699 PolarHBondContact O-N 3.39Å; S697-Q699 VanDerWaalsContact O-N 3.09Å
698	A	32.5	Very low	35.9	Very low	97 Å²	97	130.7 Å²	130.7	80%	0.802	79%	0.79	S	S	*	*			trans	-74.1	98.2	165.8	0	0	0	0	0	109	A696 C700	A696-A698 PolarHBondContact O-N 3.36Å; A698-C700 PolarHBondContact O-N 3.45Å
699	Q	32.4	Very low	34.9	Very low	175 Å²	175	128.1 Å²	128.1	82%	0.818	79%	0.793	S	S	*	*			trans	-52	124.4	160.9	-86.1	164.7	-34.3	0	0	108.9	S697 H701	S697-Q699 PolarHBondContact O-N 3.39Å; S697-Q699 VanDerWaalsContact O-N 3.09Å; Q699-H701 PolarHBondContact O-N 3.04Å
700	C	27	Very low	34.3	Very low	122 Å²	122	126.1 Å²	126.1	82%	0.824	80%	0.798	S	S	*	*			trans	-59.1	108.8	167.2	-67.6	0	0	0	0	108.4	A698 S702	A698-C700 PolarHBondContact O-N 3.45Å; C700-S702 PolarHBondContact O-N 3.04Å
701	H	29	Very low	33.7	Very low	186 Å²	186	126.8 Å²	126.8	86%	0.861	81%	0.805	S	S	*	*			trans	-58.4	115.5	166	-88.3	-69	0	0	0	108.5	Q699 I703	Q699-H701 PolarHBondContact O-N 3.04Å; H701-I703 PolarHBondContact O-N 3.21Å
702	S	26.9	Very low	32.8	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	80%	0.802	S	S	*	*			trans	-65.7	110	175.6	-36	0	0	0	0	107.9	C700 L704	C700-S702 PolarHBondContact O-N 3.04Å; S702-L704 PolarHBondContact O-N 3.06Å
703	I	29.2	Very low	32.3	Very low	153 Å²	153	125.4 Å²	125.4	79%	0.785	80%	0.802	S	S	*	*			trans	-73	109.7	156.3	-63.2	176.4	0	0	0	104.9	H701 L705	H701-I703 PolarHBondContact O-N 3.21Å; I703-L705 PolarHBondContact O-N 3.49Å
704	L	30.7	Very low	31.4	Very low	169 Å²	169	127.9 Å²	127.9	89%	0.885	81%	0.806	S	S	*	*			trans	-57	102.5	173.8	-80.8	142.2	0	0	0	109.5	S702	S702-L704 PolarHBondContact O-N 3.06Å
705	L	29.1	Very low	31.1	Very low	147 Å²	147	131.2 Å²	131.2	77%	0.77	81%	0.806	S	S	*	*			trans	-108.7	137.4	157.7	-83	156.2	0	0	0	107.2	I703 A707	I703-L705 PolarHBondContact O-N 3.49Å; L705-A707 PolarHBondContact O-N 2.94Å
706	P	27.9	Very low	30.6	Very low	125 Å²	125	131.6 Å²	131.6	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-62.8	134.9	178	-14.1	27.4	0	0	0	110.3
707	A	28.6	Very low	30.4	Very low	94 Å²	94	135.9 Å²	135.9	78%	0.777	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67	137	176.5	0	0	0	0	0	111	L705	L705-A707 PolarHBondContact O-N 2.94Å
708	P	28.6	Very low	29.6	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71	140.4	163.4	5.1	8.3	0	0	0	109.9
709	A	31.2	Very low	29.4	Very low	85 Å²	85	140.3 Å²	140.3	70%	0.702	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-56.7	159.4	175.3	0	0	0	0	0	112.8	S711	A709-S711 PolarHBondContact O-N 3.47Å
710	P	33.8	Very low	29.4	Very low	137 Å²	137	137.7 Å²	137.7	89%	0.89	80%	0.804	S	S	*	*			trans	-79.2	114.9	-173.8	31.4	-30.2	0	0	0	110.6
711	S	28.6	Very low	29.5	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	81%	0.805	S	S	*	*			trans	-123.7	109.6	166.6	68.2	0	0	0	0	111.6	A709	A709-S711 PolarHBondContact O-N 3.47Å
712	V	31.2	Very low	29.5	Very low	139 Å²	139	133.6 Å²	133.6	84%	0.842	79%	0.793	S	S	*	*			trans	33.6	118.4	146.9	-167.2	0	0	0	0	118.6
713	N	28.4	Very low	29.6	Very low	142 Å²	142	134 Å²	134	76%	0.759	79%	0.794	S	S	*	*			trans	-37.3	120.5	168.4	-103.3	-30.7	0	0	0	115.2	R715	N713-R715 PolarHBondContact O-N 3.4Å
714	P	27.3	Very low	29.8	Very low	121 Å²	121	131.3 Å²	131.3	79%	0.786	80%	0.795	S	S	*	*			trans	-93.6	80.5	158.7	33.7	-25.4	0	0	0	108.9
715	R	30.1	Very low	30.2	Very low	236 Å²	236	127.8 Å²	127.8	89%	0.891	78%	0.784	S	S	*	*			trans	-103.7	54.8	162.1	-104.7	-167.2	-174.7	-165.9	4	110	N713	N713-R715 PolarHBondContact O-N 3.4Å
716	S	33.8	Very low	30.4	Very low	95 Å²	95	126.4 Å²	126.4	66%	0.664	78%	0.777	S	S	*	*	S	Bend	trans	-168.8	107.3	162.6	54.4	0	0	0	0	107.9
717	L	29.4	Very low	30.8	Very low	176 Å²	176	125.4 Å²	125.4	92%	0.921	77%	0.773	S	S	*	*			trans	139.6	70.1	166.8	-76.3	154.4	0	0	0	109.6
718	Q	26.6	Very low	31.3	Very low	190 Å²	190	130.7 Å²	130.7	89%	0.888	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-91.8	123.9	153.5	-87.6	179	-36	0	0	107.6
719	P	28	Very low	31.8	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-68.7	143.7	157.1	-8.5	24.3	0	0	0	109.2
720	P	31.1	Very low	32.2	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.7	137.4	174.5	26.7	-31.1	0	0	0	110.9	V722	P720-V722 PolarHBondContact O-N 3.07Å
721	S	29.8	Very low	32.7	Very low	119 Å²	119	134.7 Å²	134.7	83%	0.832	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-48.8	122.6	179.6	49.7	0	0	0	0	114.4
722	V	28.1	Very low	33.4	Very low	103 Å²	103	134.3 Å²	134.3	62%	0.624	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-80.9	137.1	159.6	-176.4	0	0	0	0	108.3	P720 A724	P720-V722 PolarHBondContact O-N 3.07Å; V722-A724 PolarHBondContact O-N 3Å
723	P	30.9	Very low	34.2	Very low	114 Å²	114	133.5 Å²	133.5	74%	0.74	72%	0.716	S	S	*	*			trans	-67.4	112.9	164.1	-7.3	22.9	0	0	0	108.2	S725	P723-S725 PolarHBondContact O-N 3.4Å
724	A	32.3	Very low	35.2	Very low	97 Å²	97	132 Å²	132	80%	0.802	70%	0.703	S	S	*	*			trans	-68.9	99.6	172.8	0	0	0	0	0	109.4	V722	V722-A724 PolarHBondContact O-N 3Å
725	S	39.1	Very low	36.2	Very low	94 Å²	94	127 Å²	127	66%	0.657	67%	0.67	S	S	*	*			trans	-132.9	117.7	160.3	63.2	0	0	0	0	109.7	P723	P723-S725 PolarHBondContact O-N 3.4Å
726	N	33.8	Very low	37.2	Very low	118 Å²	118	123.3 Å²	123.3	63%	0.631	66%	0.662	S	S	*	*	S	Bend	trans	101.5	-5.2	164.1	-57.5	-7.3	0	0	0	120.2	R728	N726-R728 VanDerWaalsContact C-N 3.29Å; N726-R728 PolarHBondContact O-N 3.32Å
727	S	36.3	Very low	37.9	Very low	105 Å²	105	125.8 Å²	125.8	73%	0.734	67%	0.667	S	S	*	*	H	α-helix	trans	-74.3	-18.2	169.6	61.5	0	0	0	0	114
728	R	38.8	Very low	38.7	Very low	204 Å²	204	120.9 Å²	120.9	77%	0.77	64%	0.642	S	S	*	*	H	α-helix	trans	-84.2	-10.5	-179.7	-87.1	-176.4	171.6	-173	-6.1	115	N726	N726-R728 VanDerWaalsContact C-N 3.29Å; N726-R728 PolarHBondContact O-N 3.32Å
729	L	40	Very low	39.4	Very low	103 Å²	103	115.1 Å²	115.1	54%	0.539	63%	0.633	S	S	.	*	H	α-helix	trans	-93.9	-38.6	-172.9	-77.6	159	0	0	0	112.7	Y731 K732 E733	L729-Y731 PolarHBondContact O-N 2.95Å; L729-K732 PolarHBondContact O-N 3.09Å; L729-K732 VanDerWaalsContact O-N 3.12Å; L729-E733 PolarHBondContact O-N 3.14Å
730	W	39.4	Very low	40.6	Very low	179 Å²	179	112.2 Å²	112.2	68%	0.678	61%	0.608	S	S	*	*	H	α-helix	trans	-64	-40.1	-176.7	-180	69	0	0	0	113.8	K732 E733 F734	W730-K732 VanDerWaalsContact C-N 3.26Å; W730-K732 PolarHBondContact O-N 3.21Å; W730-E733 PolarHBondContact O-N 2.84Å; W730-F734 HydrophobicContact CZ2-CD2 4.02Å; W730-F734 HydrophobicContact CZ2-CE2 4.18Å; W730-F734 PolarHBondContact O-N 3.26Å; W730-F734 VanDerWaalsContact O-N 3.15Å
731	Y	44.5	Very low	41.6	Very low	148 Å²	148	110.1 Å²	110.1	58%	0.58	61%	0.608	S	S	*	*	H	α-helix	trans	-61.7	-32.6	174.9	171	-106.8	0	0	0	112.6	L729 F734 L735	L729-Y731 PolarHBondContact O-N 2.95Å; Y731-F734 PolarHBondContact O-N 2.71Å; Y731-L735 HydrophobicContact CD1-CD1 3.79Å; Y731-L735 HydrophobicContact CD1-CG 4.33Å; Y731-L735 HydrophobicContact CD2-CD1 4.49Å; Y731-L735 HydrophobicContact CD2-CG 4.23Å; Y731-L735 HydrophobicContact CE1-CD1 3.21Å; Y731-L735 HydrophobicContact CE1-CG 3.97Å; Y731-L735 HydrophobicContact CE2-CD1 3.99Å; Y731-L735 HydrophobicContact CE2-CD2 3.91Å; Y731-L735 HydrophobicContact CE2-CG 3.84Å; Y731-L735 HydrophobicContact CG-CD1 4.41Å; Y731-L735 HydrophobicContact CG-CG 4.47Å; Y731-L735 WeakPolarHBondContact O-CB 3.09Å; Y731-L735 VanDerWaalsContact O-CG 3.27Å; Y731-L735 WeakPolarHBondContact O-CG 3.5Å; Y731-L735 PolarHBondContact O-N 3.15Å
732	K	41.6	Very low	42.7	Very low	102 Å²	102	107.8 Å²	107.8	44%	0.443	59%	0.586	S	S	.	*	H	α-helix	trans	-71.9	-37.9	-179.6	-68.8	-170.1	175.4	-159.4	0	112.3	L729 W730 Q736 E747	L729-K732 PolarHBondContact O-N 3.09Å; L729-K732 VanDerWaalsContact O-N 3.12Å; W730-K732 VanDerWaalsContact C-N 3.26Å; W730-K732 PolarHBondContact O-N 3.21Å; K732-Q736 PolarHBondContact O-N 3.26Å; K732-E747 IonicContact NZ-OE2 4Å
733	E	48.2	Very low	43.9	Very low	123 Å²	123	104.9 Å²	104.9	58%	0.575	57%	0.573	S	S	*	*	H	α-helix	trans	-69.1	-37.5	175.1	-66.6	-179.2	166.2	0	0	111.2	L729 W730 Q736 L737	L729-E733 PolarHBondContact O-N 3.14Å; W730-E733 PolarHBondContact O-N 2.84Å; E733-Q736 PolarHBondContact O-N 3.45Å; E733-L737 PolarHBondContact O-N 3.44Å
734	F	49.9	Very low	45	Very low	111 Å²	111	107.3 Å²	107.3	49%	0.487	57%	0.574	S	S	.	*	H	α-helix	trans	-68.4	-39.1	176.3	-138.1	-88	0	0	0	112.8	W730 Y731 Q736 L737 I738	W730-F734 HydrophobicContact CZ2-CD2 4.02Å; W730-F734 HydrophobicContact CZ2-CE2 4.18Å; W730-F734 PolarHBondContact O-N 3.26Å; W730-F734 VanDerWaalsContact O-N 3.15Å; Y731-F734 PolarHBondContact O-N 2.71Å; F734-Q736 VanDerWaalsContact C-N 3.34Å; F734-Q736 PolarHBondContact O-N 3.36Å; F734-L737 PolarHBondContact O-N 3.23Å; F734-I738 HydrophobicContact CD1-CG2 4.29Å; F734-I738 HydrophobicContact CE1-CG2 4.4Å; F734-I738 WeakPolarHBondContact O-CG1 3.05Å; F734-I738 PolarHBondContact O-N 3.07Å
735	L	48.9	Very low	46	Very low	16 Å²	16	107.5 Å²	107.5	8%	0.084	56%	0.557	C	S	.	*	H	α-helix	trans	-63.5	-36.3	175.1	-77.8	-179.4	0	0	0	112.9	Y731 I738 Y740 A743	Y731-L735 HydrophobicContact CD1-CD1 3.79Å; Y731-L735 HydrophobicContact CD1-CG 4.33Å; Y731-L735 HydrophobicContact CD2-CD1 4.49Å; Y731-L735 HydrophobicContact CD2-CG 4.23Å; Y731-L735 HydrophobicContact CE1-CD1 3.21Å; Y731-L735 HydrophobicContact CE1-CG 3.97Å; Y731-L735 HydrophobicContact CE2-CD1 3.99Å; Y731-L735 HydrophobicContact CE2-CD2 3.91Å; Y731-L735 HydrophobicContact CE2-CG 3.84Å; Y731-L735 HydrophobicContact CG-CD1 4.41Å; Y731-L735 HydrophobicContact CG-CG 4.47Å; Y731-L735 WeakPolarHBondContact O-CB 3.09Å; Y731-L735 VanDerWaalsContact O-CG 3.27Å; Y731-L735 WeakPolarHBondContact O-CG 3.5Å; Y731-L735 PolarHBondContact O-N 3.15Å; L735-I738 HydrophobicContact CD2-CD1 4.01Å; L735-I738 WeakPolarHBondContact O-CG1 3.32Å; L735-Y740 HydrophobicContact CD2-CD2 4.36Å; L735-Y740 HydrophobicContact CD2-CG 4.29Å; L735-Y740 WeakPolarHBondContact O-CB 3.46Å; L735-Y740 PolarHBondContact O-N 3.15Å; L735-Y740 VanDerWaalsContact O-N 3.14Å; L735-A743 HydrophobicContact CD1-CB 4.36Å
736	Q	50.6	Low	46.5	Very low	157 Å²	157	105.1 Å²	105.1	73%	0.734	54%	0.539	S	S	*	.	H	α-helix	trans	-68.9	-34.2	174.4	-90.6	178.9	-28.6	0	0	112.6	K732 E733 F734	K732-Q736 PolarHBondContact O-N 3.26Å; E733-Q736 PolarHBondContact O-N 3.45Å; F734-Q736 VanDerWaalsContact C-N 3.34Å; F734-Q736 PolarHBondContact O-N 3.36Å
737	L	47.5	Very low	47.5	Very low	147 Å²	147	104 Å²	104	77%	0.77	53%	0.53	S	S	*	.	H	α-helix	trans	-72.6	-26	179	-93.5	148.3	0	0	0	114	E733 F734	E733-L737 PolarHBondContact O-N 3.44Å; F734-L737 PolarHBondContact O-N 3.23Å
738	I	47	Very low	48.2	Very low	74 Å²	74	103.7 Å²	103.7	38%	0.379	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.2	178.3	65.6	-175.3	0	0	0	113.8	T604 F734 L735	T604-I738 HydrophobicContact CG2-CD1 4.21Å; F734-I738 HydrophobicContact CD1-CG2 4.29Å; F734-I738 HydrophobicContact CE1-CG2 4.4Å; F734-I738 WeakPolarHBondContact O-CG1 3.05Å; F734-I738 PolarHBondContact O-N 3.07Å; L735-I738 HydrophobicContact CD2-CD1 4.01Å; L735-I738 WeakPolarHBondContact O-CG1 3.32Å
739	G	42.4	Very low	48.9	Very low	69 Å²	69	96.6 Å²	96.6	71%	0.711	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	28	172.6	0	0	0	0	0	115.6	G741	G739-G741 PolarHBondContact O-N 3.1Å
740	Y	53.3	Low	49.5	Very low	53 Å²	53	94 Å²	94	21%	0.208	48%	0.48	C	S	.	.			trans	-84	104.1	-177.1	-147.8	-90.4	0	0	0	112.9	N603 L735 A743	N603-Y740 HydrophobicContact CB-CE2 4.24Å; N603-Y740 VanDerWaalsContact CG-CE2 3.44Å; N603-Y740 PolarHBondContact ND2-OH 3.49Å; N603-Y740 WeakPolarHBondContact OD1-CE2 3.48Å; N603-Y740 VanDerWaalsContact OD1-CZ 3.31Å; N603-Y740 PolarHBondContact OD1-OH 2.94Å; L735-Y740 HydrophobicContact CD2-CD2 4.36Å; L735-Y740 HydrophobicContact CD2-CG 4.29Å; L735-Y740 WeakPolarHBondContact O-CB 3.46Å; L735-Y740 PolarHBondContact O-N 3.15Å; L735-Y740 VanDerWaalsContact O-N 3.14Å; Y740-A743 HydrophobicContact CD1-CB 3.71Å; Y740-A743 HydrophobicContact CE1-CB 4.04Å
741	G	51.2	Low	50.2	Low	77 Å²	77	92 Å²	92	79%	0.794	48%	0.479	S	S	*	.	S	Bend	trans	-82.4	-15.9	-179.3	0	0	0	0	0	116.5	G739	G739-G741 PolarHBondContact O-N 3.1Å
742	D	53.2	Low	50.7	Low	69 Å²	69	91.3 Å²	91.3	37%	0.369	48%	0.475	S	S	.	.			trans	-128.5	23.7	-163.8	-98.6	-15.7	0	0	0	115.6	Q744 K745	D742-Q744 PolarHBondContact O-N 3.16Å; D742-Q744 VanDerWaalsContact O-N 3.15Å; D742-K745 HydrophobicContact CB-CD 4.44Å; D742-K745 PolarHBondContact O-N 3Å; D742-K745 VanDerWaalsContact O-N 3.1Å; D742-K745 WeakPolarHBondContact OD1-CD 3.37Å; D742-K745 WeakPolarHBondContact OD1-CE 3.49Å; D742-K745 IonicContact OD1-NZ 3.5Å; D742-K745 PolarHBondContact OD1-NZ 3.09Å; D742-K745 IonicContact OD2-NZ 3.99Å; D742-K745 PolarHBondContact OD2-NZ 3.08Å
743	A	53	Low	51	Low	42 Å²	42	90.4 Å²	90.4	35%	0.347	48%	0.478	S	S	.	.	H	α-helix	trans	-57.3	-32.5	-177.5	0	0	0	0	0	114.2	L735 Y740 E747	L735-A743 HydrophobicContact CD1-CB 4.36Å; Y740-A743 HydrophobicContact CD1-CB 3.71Å; Y740-A743 HydrophobicContact CE1-CB 4.04Å; A743-E747 PolarHBondContact O-N 2.97Å
744	Q	52.9	Low	50.8	Low	165 Å²	165	93 Å²	93	77%	0.771	48%	0.482	S	S	*	.	H	α-helix	trans	-66.1	-35.8	178.5	-85.1	178.5	-32.2	0	0	113	D742 E747 E748	D742-Q744 PolarHBondContact O-N 3.16Å; D742-Q744 VanDerWaalsContact O-N 3.15Å; Q744-E747 PolarHBondContact O-N 3.41Å; Q744-E748 PolarHBondContact O-N 3.06Å; Q744-E748 VanDerWaalsContact O-N 3.16Å
745	K	53.4	Low	50.7	Low	101 Å²	101	91.6 Å²	91.6	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-70.7	-33.8	-177.1	-69.9	-179	-171.7	152.4	0	112.5	M687 D742 Y749	M687-K745 HydrophobicContact CE-CB 3.91Å; M687-K745 HydrophobicContact CE-CD 4.42Å; M687-K745 HydrophobicContact CE-CG 4.1Å; D742-K745 HydrophobicContact CB-CD 4.44Å; D742-K745 PolarHBondContact O-N 3Å; D742-K745 VanDerWaalsContact O-N 3.1Å; D742-K745 WeakPolarHBondContact OD1-CD 3.37Å; D742-K745 WeakPolarHBondContact OD1-CE 3.49Å; D742-K745 IonicContact OD1-NZ 3.5Å; D742-K745 PolarHBondContact OD1-NZ 3.09Å; D742-K745 IonicContact OD2-NZ 3.99Å; D742-K745 PolarHBondContact OD2-NZ 3.08Å; K745-Y749 PolarHBondContact O-N 3.32Å; K745-Y749 VanDerWaalsContact O-N 3.07Å
746	V	50.4	Low	50.5	Low	44 Å²	44	95.1 Å²	95.1	27%	0.267	51%	0.511	S	S	.	.	H	α-helix	trans	-71	-38.6	177.7	-179.9	0	0	0	0	111.3	I600 E748 Y749 C750	I600-V746 HydrophobicContact CD1-CB 4.42Å; I600-V746 HydrophobicContact CD1-CG1 3.88Å; I600-V746 HydrophobicContact CD1-CG2 3.6Å; V746-E748 VanDerWaalsContact C-N 3.34Å; V746-Y749 PolarHBondContact O-N 3.32Å; V746-C750 WeakPolarHBondContact O-CB 3.05Å; V746-C750 PolarHBondContact O-N 2.7Å; V746-C750 PolarHBondContact O-SG 2.97Å; V746-C750 VanDerWaalsContact O-SG 3.39Å
747	E	54.2	Low	50	Low	96 Å²	96	94 Å²	94	45%	0.449	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-41.4	175.6	-159.4	164	-159.4	0	0	110.4	K732 A743 Q744 C750 E751	K732-E747 IonicContact NZ-OE2 4Å; A743-E747 PolarHBondContact O-N 2.97Å; Q744-E747 PolarHBondContact O-N 3.41Å; E747-C750 PolarHBondContact O-N 3.31Å; E747-E751 WeakPolarHBondContact O-CG 3.41Å; E747-E751 PolarHBondContact O-N 2.77Å
748	E	52.7	Low	49.6	Very low	98 Å²	98	95.7 Å²	95.7	46%	0.458	51%	0.512	S	S	.	.	H	α-helix	trans	-65.5	-39.1	177.1	-146	-168.7	153.4	0	0	113.2	Q744 V746 R752	Q744-E748 PolarHBondContact O-N 3.06Å; Q744-E748 VanDerWaalsContact O-N 3.16Å; V746-E748 VanDerWaalsContact C-N 3.34Å; E748-R752 WeakPolarHBondContact O-CB 3.47Å; E748-R752 PolarHBondContact O-N 2.91Å; E748-R752 VanDerWaalsContact O-N 3.08Å; E748-R752 IonicContact OE1-CZ 2.84Å; E748-R752 IonicContact OE1-NH2 3.02Å; E748-R752 PolarHBondContact OE1-NH2 2.75Å; E748-R752 IonicContact OE2-NH2 2.83Å
749	Y	52.4	Low	49.2	Very low	55 Å²	55	100.2 Å²	100.2	22%	0.216	53%	0.528	C	S	.	.	H	α-helix	trans	-65.6	-46.7	174.2	176.5	-100.8	0	0	0	111.9	L683 A686 K745 V746 E751 R752 V753	L683-Y749 HydrophobicContact CD2-CD1 3.58Å; L683-Y749 HydrophobicContact CD2-CD2 4.06Å; L683-Y749 HydrophobicContact CD2-CE1 3.73Å; L683-Y749 HydrophobicContact CD2-CE2 4.2Å; L683-Y749 HydrophobicContact CD2-CG 3.75Å; A686-Y749 HydrophobicContact CB-CD2 4.38Å; A686-Y749 HydrophobicContact CB-CE2 3.66Å; K745-Y749 PolarHBondContact O-N 3.32Å; K745-Y749 VanDerWaalsContact O-N 3.07Å; V746-Y749 PolarHBondContact O-N 3.32Å; Y749-E751 VanDerWaalsContact C-N 3.32Å; Y749-E751 PolarHBondContact O-N 3Å; Y749-R752 WeakPolarHBondContact O-CB 3.17Å; Y749-R752 PolarHBondContact O-N 3.33Å; Y749-V753 HydrophobicContact CD1-CG2 4.25Å; Y749-V753 HydrophobicContact CD2-CG2 4.09Å; Y749-V753 HydrophobicContact CE1-CG2 3.85Å; Y749-V753 HydrophobicContact CE2-CG2 3.67Å; Y749-V753 HydrophobicContact CG-CG2 4.37Å; Y749-V753 WeakPolarHBondContact O-CG2 3.4Å; Y749-V753 PolarHBondContact O-N 2.83Å
750	C	53	Low	49	Very low	48 Å²	48	107.5 Å²	107.5	32%	0.324	53%	0.534	S	S	.	.	H	α-helix	trans	-60.5	-40.3	177.1	-75.2	0	0	0	0	111.8	V746 E747 R752 V753 W754	V746-C750 WeakPolarHBondContact O-CB 3.05Å; V746-C750 PolarHBondContact O-N 2.7Å; V746-C750 PolarHBondContact O-SG 2.97Å; V746-C750 VanDerWaalsContact O-SG 3.39Å; E747-C750 PolarHBondContact O-N 3.31Å; C750-R752 VanDerWaalsContact C-N 3.32Å; C750-R752 PolarHBondContact O-N 3.28Å; C750-V753 PolarHBondContact O-N 2.98Å; C750-W754 HydrophobicContact CB-CE3 4.12Å; C750-W754 HydrophobicContact CB-CZ3 4.23Å; C750-W754 WeakPolarHBondContact O-CB 3.07Å; C750-W754 PolarHBondContact O-N 3.47Å
751	E	54.4	Low	48.2	Very low	138 Å²	138	114 Å²	114	65%	0.645	56%	0.564	S	S	*	*	H	α-helix	trans	-64.7	-34.4	173.5	-74.6	-160.7	152.3	0	0	113	E747 Y749 C755	E747-E751 WeakPolarHBondContact O-CG 3.41Å; E747-E751 PolarHBondContact O-N 2.77Å; Y749-E751 VanDerWaalsContact C-N 3.32Å; Y749-E751 PolarHBondContact O-N 3Å; E751-C755 PolarHBondContact O-SG 3.04Å
752	R	53.5	Low	47.3	Very low	132 Å²	132	119 Å²	119	50%	0.498	56%	0.564	S	S	.	*	H	α-helix	trans	-70.6	-40.6	177.5	-126.2	176.8	-85.7	-176.5	-6.1	112.5	E748 Y749 C750	E748-R752 WeakPolarHBondContact O-CB 3.47Å; E748-R752 PolarHBondContact O-N 2.91Å; E748-R752 VanDerWaalsContact O-N 3.08Å; E748-R752 IonicContact OE1-CZ 2.84Å; E748-R752 IonicContact OE1-NH2 3.02Å; E748-R752 PolarHBondContact OE1-NH2 2.75Å; E748-R752 IonicContact OE2-NH2 2.83Å; Y749-R752 WeakPolarHBondContact O-CB 3.17Å; Y749-R752 PolarHBondContact O-N 3.33Å; C750-R752 VanDerWaalsContact C-N 3.32Å; C750-R752 PolarHBondContact O-N 3.28Å
753	V	48.3	Very low	46.3	Very low	84 Å²	84	121.7 Å²	121.7	51%	0.509	58%	0.583	S	S	.	*	H	α-helix	trans	-81.6	-37.5	-175.4	177.9	0	0	0	0	112.8	Y749 C750 C755	Y749-V753 HydrophobicContact CD1-CG2 4.25Å; Y749-V753 HydrophobicContact CD2-CG2 4.09Å; Y749-V753 HydrophobicContact CE1-CG2 3.85Å; Y749-V753 HydrophobicContact CE2-CG2 3.67Å; Y749-V753 HydrophobicContact CG-CG2 4.37Å; Y749-V753 WeakPolarHBondContact O-CG2 3.4Å; Y749-V753 PolarHBondContact O-N 2.83Å; C750-V753 PolarHBondContact O-N 2.98Å; V753-C755 VanDerWaalsContact C-N 3.28Å; V753-C755 PolarHBondContact O-N 2.91Å
754	W	45.3	Very low	45.3	Very low	178 Å²	178	129.3 Å²	129.3	67%	0.674	61%	0.608	S	S	*	*	S	Bend	trans	-83.3	7.8	-178.8	-95	-77.9	0	0	0	115	C750 S756	C750-W754 HydrophobicContact CB-CE3 4.12Å; C750-W754 HydrophobicContact CB-CZ3 4.23Å; C750-W754 WeakPolarHBondContact O-CB 3.07Å; C750-W754 PolarHBondContact O-N 3.47Å; W754-S756 PolarHBondContact O-N 2.93Å
755	C	46.7	Very low	44.2	Very low	81 Å²	81	132.5 Å²	132.5	55%	0.547	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	36.4	-176.6	-103.6	0	0	0	0	115.9	E751 V753	E751-C755 PolarHBondContact O-SG 3.04Å; V753-C755 VanDerWaalsContact C-N 3.28Å; V753-C755 PolarHBondContact O-N 2.91Å
756	S	45.8	Very low	43.3	Very low	90 Å²	90	137.1 Å²	137.1	63%	0.629	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-21	176	65.3	0	0	0	0	114.9	W754	W754-S756 PolarHBondContact O-N 2.93Å
757	D	39.1	Very low	42.3	Very low	133 Å²	133	146 Å²	146	71%	0.711	66%	0.663	S	S	*	*	S	Bend	trans	-99	-18.9	-172.7	-98.7	-20.4	0	0	0	116.3
758	K	38.3	Very low	41	Very low	183 Å²	183	148.1 Å²	148.1	80%	0.796	68%	0.683	S	S	*	*	S	Bend	trans	-82.6	-20.6	-179.2	-75.2	-176.9	-179.2	171.9	0	114.1
759	K	39.5	Very low	39.9	Very low	169 Å²	169	148 Å²	148	74%	0.735	69%	0.692	S	S	*	*	S	Bend	trans	-88.9	-23.2	-178.9	-76.9	-175.6	179.3	176.2	0	114.1	K761 K762	K759-K761 VanDerWaalsContact C-N 3.3Å; K759-K761 PolarHBondContact O-N 3.08Å; K759-K762 PolarHBondContact O-N 3.25Å
760	R	37.4	Very low	38.7	Very low	221 Å²	221	153.6 Å²	153.6	83%	0.834	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-15.1	179	-121.2	176	174.6	179.9	-1.8	114.8
761	K	36.9	Very low	37.5	Very low	189 Å²	189	155.3 Å²	155.3	82%	0.822	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-8.1	176.7	-85.4	179.1	177.2	170.9	0	115.2	K759	K759-K761 VanDerWaalsContact C-N 3.3Å; K759-K761 PolarHBondContact O-N 3.08Å
762	K	32.9	Very low	36.2	Very low	184 Å²	184	152 Å²	152	80%	0.8	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-17	-179.1	-84	-175.3	174.5	-179.8	0	114.6	K759	K759-K762 PolarHBondContact O-N 3.25Å
763	T	32.6	Very low	35	Very low	125 Å²	125	153.4 Å²	153.4	77%	0.767	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	2.9	-173.9	-16.3	0	0	0	0	115.4
764	K	31.6	Very low	34.1	Very low	201 Å²	201	156.7 Å²	156.7	87%	0.874	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	18.7	176.8	-96.3	-169.3	178.1	-175.3	0	114.9
765	R	30.7	Very low	33.3	Very low	233 Å²	233	157.8 Å²	157.8	88%	0.879	78%	0.783	S	S	*	*	S	Bend	trans	-132.9	31.6	-176.7	-104.2	-171.3	-177.5	-171.3	1.2	116.3
766	K	34.4	Very low	32.6	Very low	198 Å²	198	157.7 Å²	157.7	86%	0.861	80%	0.796	S	S	*	*			trans	-140.8	92.1	159	-81	-172.1	176.1	-179.4	0	108.5
767	Y	28.7	Very low	31.8	Very low	230 Å²	230	164.1 Å²	164.1	90%	0.902	81%	0.813	S	S	*	*			trans	-176	144.2	131.8	-113.7	-89.3	0	0	0	109.5
768	V	27.5	Very low	31.4	Very low	141 Å²	141	161.4 Å²	161.4	86%	0.855	82%	0.817	S	S	*	*			trans	92.7	116.7	175.1	-162.8	0	0	0	0	117
769	S	27.9	Very low	31.3	Very low	94 Å²	94	165.1 Å²	165.1	66%	0.657	83%	0.826	S	S	*	*			trans	-110	164.6	174.5	177	0	0	0	0	109.2
770	L	28.7	Very low	30.8	Very low	173 Å²	173	160.6 Å²	160.6	91%	0.906	83%	0.826	S	S	*	*			trans	94.3	121.7	155.8	-76.9	130	0	0	0	120.8
771	G	27.1	Very low	30.4	Very low	84 Å²	84	159.2 Å²	159.2	87%	0.866	83%	0.829	S	S	*	*			trans	111	116.7	164.4	0	0	0	0	0	112.6
772	G	27.9	Very low	30.2	Very low	69 Å²	69	158.3 Å²	158.3	71%	0.711	83%	0.828	S	S	*	*			cis	165.1	137.2	2.1	0	0	0	0	0	107.9
773	E	27.9	Very low	30	Very low	162 Å²	162	156.7 Å²	156.7	76%	0.757	83%	0.829	S	S	*	*			trans	62.6	140.6	161.2	-57.2	-165.6	121.8	0	0	119.5
774	K	29.9	Very low	29.8	Very low	152 Å²	152	155.4 Å²	155.4	66%	0.661	82%	0.824	S	S	*	*			cis	-169.9	144.4	1.6	-116.7	168.7	177.4	152.8	0	109
775	K	28.7	Very low	29.7	Very low	201 Å²	201	154.4 Å²	154.4	87%	0.874	82%	0.823	S	S	*	*			trans	62	134.2	151.2	-64.2	179.9	174.7	-176.2	0	118
776	G	30.3	Very low	29.5	Very low	80 Å²	80	155.1 Å²	155.1	83%	0.825	83%	0.825	S	S	*	*			cis	148.6	123.5	12	0	0	0	0	0	107.2
777	K	30.8	Very low	29.2	Very low	224 Å²	224	149.8 Å²	149.8	97%	0.974	82%	0.818	S	S	*	*			trans	-96.1	133	171.3	-134.2	-178.7	-172.6	178.2	0	107.4
778	G	30.2	Very low	30.2	Very low	77 Å²	77	144 Å²	144	79%	0.794	81%	0.809	S	S	*	*			trans	-142	123.6	168.3	0	0	0	0	0	109.7
779	R	35.3	Very low	30.4	Very low	261 Å²	261	148.3 Å²	148.3	99%	0.985	81%	0.81	S	S	*	*			trans	-95.2	141.9	166.2	-112.2	-178.8	170.5	179.9	-4.4	107.1
780	G	29.7	Very low	30.6	Very low	73 Å²	73	151.5 Å²	151.5	75%	0.753	81%	0.814	S	S	*	*			trans	168.6	112.1	165.9	0	0	0	0	0	114.3
781	E	29.6	Very low	30.7	Very low	192 Å²	192	149 Å²	149	90%	0.897	81%	0.806	S	S	*	*			trans	46.2	133.2	142.5	-72.2	171.6	163.8	0	0	125.2
782	E	31.5	Very low	31.1	Very low	170 Å²	170	153.3 Å²	153.3	79%	0.794	80%	0.801	S	S	*	*			trans	28.1	136.7	145.2	-82.9	-176.9	165.1	0	0	125.7
783	N	28.5	Very low	31.4	Very low	151 Å²	151	156.4 Å²	156.4	81%	0.807	80%	0.801	S	S	*	*			trans	93.6	141.1	143.2	-80.1	-25.4	0	0	0	122.7
784	S	28.7	Very low	31.8	Very low	97 Å²	97	159 Å²	159	68%	0.678	83%	0.829	S	S	*	*			trans	94.7	100.7	157.5	175.4	0	0	0	0	120
785	H	29.1	Very low	31.9	Very low	181 Å²	181	159.4 Å²	159.4	84%	0.838	84%	0.837	S	S	*	*			trans	60.9	129.4	133.8	-62.8	-65.6	0	0	0	122.7
786	R	28	Very low	32.1	Very low	248 Å²	248	157.2 Å²	157.2	94%	0.936	84%	0.835	S	S	*	*			trans	109.7	117.1	133.9	-139.7	171.3	-168.4	167	2	116.9
787	A	28	Very low	32.2	Very low	86 Å²	86	161.5 Å²	161.5	71%	0.711	84%	0.836	S	S	*	*			trans	-76.8	-168	169.2	0	0	0	0	0	112
788	P	49.1	Very low	32.3	Very low	109 Å²	109	157.8 Å²	157.8	71%	0.708	83%	0.828	S	S	*	*			cis	-129.6	-179	-42.1	28	-7.8	0	0	0	112.4
789	R	30.8	Very low	32.4	Very low	231 Å²	231	162.9 Å²	162.9	87%	0.872	83%	0.83	S	S	*	*			trans	141.7	115	142.3	-80.2	173.6	-178.4	-170.6	1	111.1
790	H	32.3	Very low	32.2	Very low	160 Å²	160	156.3 Å²	156.3	74%	0.741	82%	0.82	S	S	*	*				90.6	145.3	77.2	-117.5	-73.3	0	0	0	113.8
791	T	31.2	Very low	32.4	Very low	121 Å²	121	162.3 Å²	162.3	74%	0.742	82%	0.824	S	S	*	*			trans	83.9	109.6	169.1	67.4	0	0	0	0	116.6
792	F	35.2	Very low	32.6	Very low	174 Å²	174	160 Å²	160	76%	0.763	82%	0.819	S	S	*	*				94.2	139.4	60	-97.7	-75.4	0	0	0	113
793	D	33.8	Very low	32.7	Very low	135 Å²	135	159.2 Å²	159.2	72%	0.722	82%	0.821	S	S	*	*			trans	76.3	102	160.2	-57.4	-26.6	0	0	0	119.3
794	T	37.8	Very low	33.1	Very low	217 Å²	217	159.9 Å²	159.9	100%	1.331	82%	0.822	S	S	*	*				-171.2	0	80.1	10.2	0	0	0	0	111.4

Retrieved 794 of 794 residues in 2162.3 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).