A0A096NXV0_PAPAN Loading...

Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB , UniProt , Accession A0A096NXV0, Species PAPAN (Papio anubis, Olive baboon), Gene USP13, Length 863 aa.

						>A0A096NXV0_PAPAN|A0A096NXV0|USP13
MQRRGALFGMPGGSGGRKMAAGDIGELLVPHMPTIRVPRSGDRVYKNECAFSYDSPNSEGGLYVCMNTFLAFGREHVERHFRKTGQSVYMHLKRHVREKVRGASGGALPKRRNSKIFLDLDTDDDLNSDDYEYEDEAKLVIFPDHYEIALPNIEELPALVTIACDAVLSSKSPYRKQDPDTWENELPVSKYANNLTQLDNGVRIPPSGWKCARCDLRENLWLNLTDGSVLCGKWFFDSSGGNGHALEHYRDMGYPLAVKLGTITPDGADVYSFQEEEPVLDPHLAKHLAHFGIDMLHMHGTENGLQDNDIKPRVSEWEVIQESGTKLKPMYGPGYTGLKNLGNSCYLSSVMQAIFSIPEFQRAYVGNLPRIFDYSPLDPTQDFNTQMTKLGHGLLSGQYSKPPVKSELIEQVMKEEHKPQQNGISPRMFKAFVSKSHPEFSSNRQQDAQEFFLHLVNLVERNRIGSENPSDVFRFLVEERIQCCQTRKVRYTERVDYLMQLPVAMEAATNKDELIAYELTRREAEANRRPLPELVRAKIPFSACLQAFSEPENVDDFWSSALQAKSAGVKTSRFASFPEYLVVQIKKFTFGLDWVPKKFDVSIDMPDLLDINHLRARGLQPGEEELPDISPPIVIPDDSKDRLMNQLIDPSDIDESSVMQLAEMGFPLEACRKAVYFTGNMGAEVAFNWIIVHMEEPDFAEPLTMPGYGGAASAGASVFGATGLDNQPPEEIVAIITSMGFQRNQAIQALRATNNNLERALDWIFSHPEFEEDSDFVIEMENNANANIISEAKPEGPRVKDGSGTYELFAFISHMGTSTMSGHYICHIKKEGRWVIYNDHKVCASERPPKDLGYMYFYHRIPS
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	29.6	Very low	248 Å²	248	170 Å²	170	100%	1.222	89%	0.89	S	S	*	*				0	117.2	0	-73	171.6	166.2	0	0	105.8
2	Q	30.7	Very low	29.2	Very low	197 Å²	197	161.3 Å²	161.3	92%	0.921	87%	0.872	S	S	*	*			cis	-140	145.7	29.4	-106.6	164.7	-13.6	0	0	110
3	R	33	Very low	29.5	Very low	249 Å²	249	155.3 Å²	155.3	94%	0.94	87%	0.871	S	S	*	*			trans	-77.5	143.9	174	-72.8	173.5	168	-179.4	-4.4	111.2
4	R	31	Very low	29.5	Very low	252 Å²	252	152.6 Å²	152.6	95%	0.951	87%	0.868	S	S	*	*			trans	-162.8	120.4	141.8	-94.5	178.7	178.5	-175.2	-2.2	105.4
5	G	29.2	Very low	29.4	Very low	74 Å²	74	147.2 Å²	147.2	76%	0.763	86%	0.859	S	S	*	*			cis	103.3	83.9	15	0	0	0	0	0	111.3
6	A	29.6	Very low	29.7	Very low	94 Å²	94	143.1 Å²	143.1	78%	0.777	86%	0.857	S	S	*	*			trans	65.3	122	159.1	0	0	0	0	0	120.2
7	L	25.1	Very low	30	Very low	169 Å²	169	148.2 Å²	148.2	89%	0.885	86%	0.858	S	S	*	*				-178.1	107.8	104.6	-97.2	147.1	0	0	0	110.5	G9	L7-G9 PolarHBondContact O-N 2.85Å; L7-G9 VanDerWaalsContact O-N 3.17Å
8	F	32.1	Very low	30.6	Very low	213 Å²	213	151.6 Å²	151.6	93%	0.934	86%	0.861	S	S	*	*			trans	-62	105.7	155.9	-88.1	-96.2	0	0	0	107.7
9	G	23.7	Very low	31.6	Very low	65 Å²	65	147.8 Å²	147.8	67%	0.67	84%	0.836	S	S	*	*			trans	-88.8	108.2	162.8	0	0	0	0	0	108.7	L7	L7-G9 PolarHBondContact O-N 2.85Å; L7-G9 VanDerWaalsContact O-N 3.17Å
10	M	26.4	Very low	32.3	Very low	179 Å²	179	143.6 Å²	143.6	88%	0.882	82%	0.82	S	S	*	*			trans	-50.1	128.5	154.9	-71.9	-105.4	-166	0	0	108.2	G12	M10-G12 PolarHBondContact O-N 3Å; M10-G12 VanDerWaalsContact O-N 3.09Å
11	P	31	Very low	33	Very low	130 Å²	130	139.1 Å²	139.1	84%	0.844	80%	0.801	S	S	*	*			trans	-68	108.6	155.9	-4.4	21.6	0	0	0	105.8
12	G	25.1	Very low	33.8	Very low	66 Å²	66	129.6 Å²	129.6	68%	0.68	77%	0.767	S	S	*	*			trans	-52.8	143.5	170.2	0	0	0	0	0	110.2	M10 S14	M10-G12 PolarHBondContact O-N 3Å; M10-G12 VanDerWaalsContact O-N 3.09Å; G12-S14 PolarHBondContact O-N 2.98Å
13	G	33	Very low	35.3	Very low	83 Å²	83	123.7 Å²	123.7	86%	0.856	74%	0.741	S	S	*	*			trans	-46.8	112.5	-175	0	0	0	0	0	113.2	G15	G13-G15 PolarHBondContact O-N 3.19Å
14	S	29	Very low	36.9	Very low	118 Å²	118	112.5 Å²	112.5	83%	0.825	70%	0.7	S	S	*	*			trans	-73.6	102.5	154.3	53.8	0	0	0	0	106.7	G12 G16	G12-S14 PolarHBondContact O-N 2.98Å; S14-G16 PolarHBondContact O-N 3.05Å
15	G	28.7	Very low	38.5	Very low	71 Å²	71	101.3 Å²	101.3	73%	0.732	66%	0.664	S	S	*	*			trans	-49.1	133.8	172.6	0	0	0	0	0	110.4	G13 R17	G13-G15 PolarHBondContact O-N 3.19Å; G15-R17 PolarHBondContact O-N 3.04Å
16	G	33.5	Very low	40.4	Very low	81 Å²	81	104.8 Å²	104.8	84%	0.835	66%	0.66	S	S	*	*			trans	-55.7	100.5	174.5	0	0	0	0	0	110	S14 K18	S14-G16 PolarHBondContact O-N 3.05Å; G16-K18 PolarHBondContact O-N 2.99Å; G16-K18 VanDerWaalsContact O-N 3.12Å
17	R	35.7	Very low	42.5	Very low	230 Å²	230	103.4 Å²	103.4	87%	0.868	64%	0.639	S	S	*	*			trans	-70.9	100.1	162.5	-117.8	178.1	172.9	173.7	-3.4	105.5	G15 M19	G15-R17 PolarHBondContact O-N 3.04Å; R17-M19 PolarHBondContact O-N 3.03Å
18	K	40.6	Very low	45	Very low	210 Å²	210	95.4 Å²	95.4	91%	0.913	60%	0.597	S	S	*	*			trans	-63.3	104.9	163.8	-74.7	-172.8	174.2	-171.2	0	106.9	G16	G16-K18 PolarHBondContact O-N 2.99Å; G16-K18 VanDerWaalsContact O-N 3.12Å
19	M	48.9	Very low	47.2	Very low	79 Å²	79	89.1 Å²	89.1	39%	0.389	58%	0.576	S	S	.	*			trans	-70.1	153.2	170	-63	-147.4	-69.1	0	0	109.5	R17 D23 Y146	R17-M19 PolarHBondContact O-N 3.03Å; M19-D23 HydrophobicContact CB-CB 3.81Å; M19-D23 HydrophobicContact CE-CB 4.07Å; M19-D23 HydrophobicContact SD-CB 4.04Å; M19-Y146 HydrophobicContact CE-CE2 4.47Å
20	A	46.1	Very low	50	Low	63 Å²	63	90.2 Å²	90.2	52%	0.521	57%	0.572	S	S	.	*			trans	-74.5	158.6	-179.1	0	0	0	0	0	110.5	G22 D23	A20-G22 PolarHBondContact O-N 3.28Å; A20-D23 PolarHBondContact N-OD2 3Å; A20-D23 WeakPolarHBondContact O-CB 3.22Å; A20-D23 PolarHBondContact O-N 3.26Å
21	A	46.4	Very low	52.7	Low	50 Å²	50	84 Å²	84	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-52.2	-26.9	-178.4	0	0	0	0	0	114.8	E155	A21-E155 HydrophobicContact CB-CB 4.3Å; A21-E155 HydrophobicContact CB-CG 4Å
22	G	50.6	Low	55.1	Low	49 Å²	49	80.3 Å²	80.3	51%	0.505	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-35	173.6	0	0	0	0	0	114.2	A20 E26	A20-G22 PolarHBondContact O-N 3.28Å; G22-E26 PolarHBondContact O-N 3.48Å
23	D	63.1	Low	58	Low	72 Å²	72	82.6 Å²	82.6	39%	0.385	52%	0.515	S	S	.	.	H	α-helix	trans	-77.9	-30.6	-174.8	-58.5	-33.7	0	0	0	112.2	M19 A20 L27	M19-D23 HydrophobicContact CB-CB 3.81Å; M19-D23 HydrophobicContact CE-CB 4.07Å; M19-D23 HydrophobicContact SD-CB 4.04Å; A20-D23 PolarHBondContact N-OD2 3Å; A20-D23 WeakPolarHBondContact O-CB 3.22Å; A20-D23 PolarHBondContact O-N 3.26Å; D23-L27 PolarHBondContact O-N 3.32Å; D23-L27 VanDerWaalsContact O-N 3.14Å
24	I	65.8	Low	60.6	Low	14 Å²	14	80.8 Å²	80.8	7%	0.072	49%	0.488	C	S	.	.	H	α-helix	trans	-72	-39.5	177.3	-61.1	173.3	0	0	0	110.5	L27 L28 I148 L156	I24-L27 PolarHBondContact O-N 3.3Å; I24-L28 HydrophobicContact CG2-CD1 4.38Å; I24-L28 PolarHBondContact O-N 3.49Å; I24-I148 HydrophobicContact CG2-CD1 3.73Å; I24-I148 HydrophobicContact CG2-CG1 4.38Å; I24-L156 HydrophobicContact CG2-CD2 4.27Å
25	G	64.1	Low	63.5	Low	18 Å²	18	75.6 Å²	75.6	19%	0.186	45%	0.451	C	S	.	.	H	α-helix	trans	-60	-48.5	173	0	0	0	0	0	111.7	L27 L28 V29	G25-L27 VanDerWaalsContact C-N 3.3Å; G25-L27 PolarHBondContact O-N 3.27Å; G25-L28 PolarHBondContact O-N 3.5Å; G25-V29 VanDerWaalsContact O-CG2 3.24Å; G25-V29 WeakPolarHBondContact O-CG2 3.15Å; G25-V29 PolarHBondContact O-N 2.7Å; G25-V29 VanDerWaalsContact O-N 3.09Å
26	E	69.1	Low	66.6	Low	147 Å²	147	77.4 Å²	77.4	69%	0.687	44%	0.435	S	S	*	.	H	α-helix	trans	-60.9	-35.9	177.5	-73.9	-174.7	-178.9	0	0	113.1	G22 L28 P30	G22-E26 PolarHBondContact O-N 3.48Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.07Å; E26-P30 WeakPolarHBondContact O-CD 3.31Å
27	L	74.8	Confident	69.3	Low	65 Å²	65	75.5 Å²	75.5	34%	0.34	41%	0.407	S	S	.	.	H	α-helix	trans	-66.5	-33.2	176.6	-170.1	70.5	0	0	0	112.9	D23 I24 G25 I141 Y146	D23-L27 PolarHBondContact O-N 3.32Å; D23-L27 VanDerWaalsContact O-N 3.14Å; I24-L27 PolarHBondContact O-N 3.3Å; G25-L27 VanDerWaalsContact C-N 3.3Å; G25-L27 PolarHBondContact O-N 3.27Å; L27-I141 HydrophobicContact CD2-CD1 3.86Å; L27-I141 HydrophobicContact CG-CD1 4.1Å; L27-Y146 HydrophobicContact CD2-CD1 3.43Å; L27-Y146 VanDerWaalsContact CD2-CD1 3.43Å; L27-Y146 HydrophobicContact CD2-CE1 3.67Å; L27-Y146 HydrophobicContact CD2-CG 3.89Å
28	L	76.8	Confident	71.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-86.7	-22.7	-178.8	-76.7	169.9	0	0	0	113.6	I24 G25 E26 P30 H31 M32 L139 I141 I148 L156	I24-L28 HydrophobicContact CG2-CD1 4.38Å; I24-L28 PolarHBondContact O-N 3.49Å; G25-L28 PolarHBondContact O-N 3.5Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.07Å; L28-P30 VanDerWaalsContact C-CD 3.47Å; L28-H31 CarbonylContact O-C 3.55Å; L28-H31 PolarHBondContact O-N 2.94Å; L28-M32 WeakPolarHBondContact O-CG 3.48Å; L28-M32 PolarHBondContact O-N 2.81Å; L28-L139 HydrophobicContact CD1-CD2 4.25Å; L28-L139 HydrophobicContact CD2-CD2 3.86Å; L28-I141 HydrophobicContact CD2-CD1 3.53Å; L28-I141 HydrophobicContact CD2-CG1 4.25Å; L28-I141 HydrophobicContact CG-CD1 4.15Å; L28-I148 HydrophobicContact CD1-CD1 4.17Å; L28-L156 HydrophobicContact CD1-CD2 3.57Å
29	V	79.4	Confident	74.1	Confident	81 Å²	81	65 Å²	65	49%	0.491	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-46.4	-178.7	165.9	0	0	0	0	113.6	G25 H31 M32	G25-V29 VanDerWaalsContact O-CG2 3.24Å; G25-V29 WeakPolarHBondContact O-CG2 3.15Å; G25-V29 PolarHBondContact O-N 2.7Å; G25-V29 VanDerWaalsContact O-N 3.09Å; V29-H31 PolarHBondContact O-N 3.32Å; V29-M32 HydrophobicContact CB-CE 4.05Å; V29-M32 HydrophobicContact CG1-CE 4.38Å; V29-M32 HydrophobicContact CG2-CE 3.58Å; V29-M32 PolarHBondContact O-N 3.28Å
30	P	81.9	Confident	75.4	Confident	89 Å²	89	67.9 Å²	67.9	58%	0.578	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.9	178.9	-22.7	34.2	0	0	0	113.8	E26 L28	E26-P30 WeakPolarHBondContact O-CD 3.31Å; L28-P30 VanDerWaalsContact C-CD 3.47Å
31	H	83.9	Confident	76.9	Confident	47 Å²	47	68.2 Å²	68.2	22%	0.218	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-13.4	-173.4	-57	-55.5	0	0	0	113.6	L28 V29 P33 T34 S87 V88	L28-H31 CarbonylContact O-C 3.55Å; L28-H31 PolarHBondContact O-N 2.94Å; V29-H31 PolarHBondContact O-N 3.32Å; H31-P33 VanDerWaalsContact C-N 3.31Å; H31-T34 WeakPolarHBondContact O-CB 3.06Å; H31-T34 PolarHBondContact O-N 3.46Å; H31-T34 PolarHBondContact O-OG1 2.64Å; H31-S87 PolarHBondContact CE1-OG 2.82Å; H31-S87 PolarHBondContact ND1-OG 3.13Å; H31-V88 HydrophobicContact CB-CG2 3.46Å; H31-V88 VanDerWaalsContact CB-CG2 3.46Å
32	M	81.3	Confident	78.7	Confident	53 Å²	53	68.5 Å²	68.5	26%	0.261	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-49.9	-40.2	179	-78.4	-160.1	-80.8	0	0	114.7	L28 V29 T34 I35 P157	L28-M32 WeakPolarHBondContact O-CG 3.48Å; L28-M32 PolarHBondContact O-N 2.81Å; V29-M32 HydrophobicContact CB-CE 4.05Å; V29-M32 HydrophobicContact CG1-CE 4.38Å; V29-M32 HydrophobicContact CG2-CE 3.58Å; V29-M32 PolarHBondContact O-N 3.28Å; M32-T34 PolarHBondContact O-N 2.83Å; M32-T34 VanDerWaalsContact O-N 3.13Å; M32-I35 PolarHBondContact O-N 3.49Å; M32-I35 VanDerWaalsContact O-N 3.1Å; M32-P157 HydrophobicContact SD-CB 4.1Å; M32-P157 HydrophobicContact SD-CG 4.23Å
33	P	86.1	Confident	80.5	Confident	115 Å²	115	72 Å²	72	75%	0.747	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-62.3	-20.3	177.5	-24	35.3	0	0	0	114.5	H31	H31-P33 VanDerWaalsContact C-N 3.31Å
34	T	87.4	Confident	81.7	Confident	45 Å²	45	68.7 Å²	68.7	28%	0.276	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-90.7	-10	179.3	72.3	0	0	0	0	113	H31 M32 N67 Q86	H31-T34 WeakPolarHBondContact O-CB 3.06Å; H31-T34 PolarHBondContact O-N 3.46Å; H31-T34 PolarHBondContact O-OG1 2.64Å; M32-T34 PolarHBondContact O-N 2.83Å; M32-T34 VanDerWaalsContact O-N 3.13Å; T34-N67 WeakPolarHBondContact O-CA 3.28Å; T34-N67 WeakPolarHBondContact O-CB 3.35Å; T34-N67 VanDerWaalsContact O-CG 3.28Å; T34-N67 PolarHBondContact O-OD1 3.36Å; T34-Q86 PolarHBondContact OG1-NE2 3.29Å
35	I	89.9	Confident	82.9	Confident	9 Å²	9	68.6 Å²	68.6	5%	0.046	38%	0.376	C	S	.	.			trans	-88.4	118.8	179.8	-61.1	174	0	0	0	108.3	M32 M66 V88 V160 A163	M32-I35 PolarHBondContact O-N 3.49Å; M32-I35 VanDerWaalsContact O-N 3.1Å; I35-M66 HydrophobicContact CG1-CB 4.38Å; I35-M66 HydrophobicContact CG2-CB 4.37Å; I35-M66 HydrophobicContact CG2-CE 4.32Å; I35-V88 HydrophobicContact CD1-CG1 4.1Å; I35-V88 HydrophobicContact CG1-CB 4.46Å; I35-V88 HydrophobicContact CG1-CG1 4.31Å; I35-V160 HydrophobicContact CD1-CG1 4.49Å; I35-V160 HydrophobicContact CD1-CG2 3.84Å; I35-A163 HydrophobicContact CG2-CB 3.76Å
36	R	92.8	Very high	84	Confident	108 Å²	108	67.8 Å²	67.8	41%	0.408	37%	0.367	S	S	.	.			trans	-106.4	147.2	175	-72.6	-176.6	58.5	-161.4	-9.3	110.3	D42 M66 N67 F69	R36-D42 IonicContact NH2-OD1 3.81Å; R36-D42 IonicContact NH2-OD2 2.71Å; R36-M66 PolarHBondContact N-O 3.25Å; R36-N67 WeakPolarHBondContact CD-OD1 3.24Å; R36-N67 WeakPolarHBondContact CG-OD1 2.99Å; R36-F69 HydrophobicContact CB-CE1 4.26Å; R36-F69 HydrophobicContact CB-CZ 3.71Å; R36-F69 WeakPolarHBondContact O-CE1 3.15Å
37	V	90.6	Very high	84.8	Confident	42 Å²	42	61.8 Å²	61.8	26%	0.255	34%	0.34	S	S	.	.			trans	-92.5	124.5	170	-177.8	0	0	0	0	108.1	L159 I162 A163 A166	V37-L159 HydrophobicContact CG2-CD1 3.87Å; V37-I162 HydrophobicContact CG1-CG2 3.9Å; V37-I162 HydrophobicContact CG2-CG2 4.13Å; V37-A163 HydrophobicContact CG2-CB 3.97Å; V37-A166 HydrophobicContact CG1-CB 3.92Å
38	P	89.6	Confident	85.6	Confident	19 Å²	19	59.5 Å²	59.5	12%	0.123	33%	0.328	C	S	.	.			trans	-54.7	137.3	174.4	-24.1	30.4	0	0	0	112.7	V44 F69 A166 V167	P38-V44 HydrophobicContact CB-CG2 3.89Å; P38-V44 HydrophobicContact CG-CG2 4Å; P38-F69 HydrophobicContact CB-CE2 4.16Å; P38-F69 HydrophobicContact CB-CZ 4.15Å; P38-F69 HydrophobicContact CG-CD1 4Å; P38-F69 HydrophobicContact CG-CD2 4.45Å; P38-F69 HydrophobicContact CG-CE1 3.65Å; P38-F69 HydrophobicContact CG-CE2 4.12Å; P38-F69 HydrophobicContact CG-CG 4.39Å; P38-F69 HydrophobicContact CG-CZ 3.7Å; P38-A166 HydrophobicContact CG-CB 4.2Å; P38-V167 HydrophobicContact CG-CB 4.43Å; P38-V167 HydrophobicContact CG-CG2 3.49Å; P38-V167 VanDerWaalsContact CG-CG2 3.49Å
39	R	88	Confident	86.4	Confident	199 Å²	199	59.5 Å²	59.5	75%	0.751	33%	0.328	S	S	*	.			trans	-109.2	168.4	173.3	-58.7	-178.4	-178.3	-172.4	0.5	110.7	G41 D42	R39-G41 PolarHBondContact O-N 3.03Å; R39-D42 PolarHBondContact N-OD2 3.28Å; R39-D42 PolarHBondContact O-N 3.29Å
40	S	75.8	Confident	87.1	Confident	140 Å²	140	55.7 Å²	55.7	98%	0.979	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-10.3	-175.6	-48.3	0	0	0	0	116.4
41	G	76.9	Confident	87.7	Confident	71 Å²	71	51.8 Å²	51.8	73%	0.732	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-3.1	173.8	0	0	0	0	0	114.7	R39	R39-G41 PolarHBondContact O-N 3.03Å
42	D	85.3	Confident	88.2	Confident	56 Å²	56	49.8 Å²	49.8	30%	0.299	27%	0.27	S	S	.	.			trans	-80.7	138.1	179.6	-70.5	-38.8	0	0	0	110.4	R36 R39 F69	R36-D42 IonicContact NH2-OD1 3.81Å; R36-D42 IonicContact NH2-OD2 2.71Å; R39-D42 PolarHBondContact N-OD2 3.28Å; R39-D42 PolarHBondContact O-N 3.29Å; D42-F69 HydrophobicContact CB-CD2 3.97Å; D42-F69 HydrophobicContact CB-CE2 3.94Å
43	R	87.1	Confident	88.7	Confident	122 Å²	122	48.2 Å²	48.2	46%	0.46	26%	0.261	S	S	.	.			trans	-92.8	114.7	177.2	-68.9	178.2	-73	167	5	109.4	Y45 P173	R43-Y45 HydrophobicContact CB-CE2 3.86Å; R43-P173 HydrophobicContact CB-CB 4.27Å; R43-P173 HydrophobicContact CB-CG 4.36Å; R43-P173 HydrophobicContact CG-CB 4.43Å
44	V	90.2	Very high	89	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.231	C	C	.	.			trans	-103.6	107.3	-179.1	-178.7	0	0	0	0	110.5	P38 K46 F69 V167 S170 P173	P38-V44 HydrophobicContact CB-CG2 3.89Å; P38-V44 HydrophobicContact CG-CG2 4Å; V44-K46 PolarHBondContact O-N 3.3Å; V44-F69 HydrophobicContact CB-CB 4.24Å; V44-F69 HydrophobicContact CG1-CB 4.24Å; V44-F69 HydrophobicContact CG2-CB 3.96Å; V44-F69 HydrophobicContact CG2-CD2 4.34Å; V44-F69 HydrophobicContact CG2-CG 4.12Å; V44-V167 HydrophobicContact CG1-CG1 3.65Å; V44-S170 VanDerWaalsContact CB-OG 3.23Å; V44-S170 WeakPolarHBondContact CB-OG 3.27Å; V44-S170 WeakPolarHBondContact CG1-OG 3.15Å; V44-P173 WeakPolarHBondContact O-CD 3.36Å; V44-P173 WeakPolarHBondContact O-CG 3.34Å
45	Y	89.3	Confident	89.1	Confident	13 Å²	13	42.9 Å²	42.9	5%	0.051	23%	0.227	C	C	.	.			trans	-85	93.7	-179.7	-63.5	-92.3	0	0	0	109.4	R43 F69 L70 A71 P173 Y174 T380 M428	R43-Y45 HydrophobicContact CB-CE2 3.86Å; Y45-F69 PolarHBondContact N-O 2.87Å; Y45-L70 HydrophobicContact CD2-CD2 3.77Å; Y45-L70 HydrophobicContact CE2-CD2 3.89Å; Y45-A71 WeakPolarHBondContact O-CB 3.22Å; Y45-P173 HydrophobicContact CD1-CG 4.12Å; Y45-P173 HydrophobicContact CE1-CB 4.4Å; Y45-P173 HydrophobicContact CE1-CG 4.25Å; Y45-P173 HydrophobicContact CG-CG 4.31Å; Y45-Y174 WeakPolarHBondContact CE1-OH 3.26Å; Y45-T380 HydrophobicContact CD1-CG2 4.4Å; Y45-T380 HydrophobicContact CE1-CG2 4.08Å; Y45-T380 HydrophobicContact CE2-CG2 4.33Å; Y45-T380 PolarHBondContact OH-OG1 2.9Å; Y45-M428 HydrophobicContact CD1-CE 3.92Å; Y45-M428 HydrophobicContact CE1-CE 4.17Å
46	K	88.2	Confident	89	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.			trans	-109.6	-3.3	178.5	72.7	-174.1	-170.9	176.7	0	114.8	V44 P56 L62 V64 L92 D119 L120 L168 S170	V44-K46 PolarHBondContact O-N 3.3Å; K46-P56 WeakPolarHBondContact O-CG 3.45Å; K46-L62 VanDerWaalsContact O-CD2 3.31Å; K46-L62 WeakPolarHBondContact O-CD2 3.38Å; K46-V64 HydrophobicContact CB-CG2 4.43Å; K46-L92 HydrophobicContact CB-CD1 3.93Å; K46-D119 WeakPolarHBondContact CE-O 3.21Å; K46-D119 PolarHBondContact NZ-O 3.19Å; K46-D119 VanDerWaalsContact NZ-O 3.07Å; K46-L120 HydrophobicContact CG-CD2 4.2Å; K46-L120 WeakPolarHBondContact O-CD2 3.48Å; K46-L168 PolarHBondContact NZ-O 3.1Å; K46-S170 VanDerWaalsContact CE-O 3.25Å; K46-S170 WeakPolarHBondContact CE-O 3.44Å; K46-S170 PolarHBondContact NZ-O 2.71Å
47	N	85.8	Confident	88.6	Confident	22 Å²	22	41.4 Å²	41.4	12%	0.118	23%	0.227	C	C	.	.	S	Bend	trans	-104.1	-27.1	-173.4	-61.6	6.2	0	0	0	113.3	S55 L120 D121 S172	N47-S55 VanDerWaalsContact O-CB 3.29Å; N47-S55 WeakPolarHBondContact O-CB 3.38Å; N47-L120 WeakPolarHBondContact OD1-CD2 3.2Å; N47-D121 PolarHBondContact ND2-OD2 3.46Å; N47-S172 PolarHBondContact ND2-OG 3.23Å
48	E	90.8	Very high	88.5	Confident	16 Å²	16	40.8 Å²	40.8	8%	0.075	23%	0.225	C	C	.	.	S	Bend	trans	-151.3	140.6	-167.9	-170.1	-179.7	119.5	0	0	111.1	D54 A71 K389 M428	E48-D54 WeakPolarHBondContact CA-O 3.31Å; E48-A71 WeakPolarHBondContact O-CB 3.22Å; E48-K389 WeakPolarHBondContact OE1-CE 3.47Å; E48-K389 IonicContact OE1-NZ 2.73Å; E48-K389 PolarHBondContact OE1-NZ 3.27Å; E48-M428 WeakPolarHBondContact OE1-CB 3.3Å
49	C	94.3	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.			trans	-67.1	147	174.6	175.5	0	0	0	0	112.4	F51 S52 D54 L62 A71 G73 K389	C49-F51 VanDerWaalsContact C-N 3.33Å; C49-F51 PolarHBondContact O-N 2.62Å; C49-F51 PolarHBondContact SG-N 3.28Å; C49-S52 WeakPolarHBondContact CB-O 3.18Å; C49-S52 WeakPolarHBondContact CB-OG 3.42Å; C49-S52 PolarHBondContact SG-N 3.23Å; C49-S52 PolarHBondContact SG-OG 2.85Å; C49-D54 HydrophobicContact CB-CB 4.19Å; C49-D54 PolarHBondContact N-O 2.59Å; C49-L62 HydrophobicContact CB-CD1 3.89Å; C49-A71 CarbonylContact C-O 3.38Å; C49-A71 WeakPolarHBondContact CA-O 3.34Å; C49-G73 PolarHBondContact SG-N 2.96Å; C49-K389 PolarHBondContact O-NZ 3.03Å
50	A	94.1	Very high	88.1	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.008	23%	0.23	C	C	.	.	S	Bend	trans	-64.3	-31.2	174	0	0	0	0	0	114.4	A71 F72 P379 T380 Q386	A50-A71 PolarHBondContact N-O 3.27Å; A50-F72 HydrophobicContact CB-CD1 4.41Å; A50-F72 HydrophobicContact CB-CE1 4.03Å; A50-P379 HydrophobicContact CB-CB 4.34Å; A50-P379 HydrophobicContact CB-CG 4.28Å; A50-T380 HydrophobicContact CB-CG2 4.02Å; A50-Q386 PolarHBondContact O-NE2 3.13Å
51	F	94.5	Very high	88.9	Confident	7 Å²	7	32.7 Å²	32.7	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	-108.9	-21.2	-173.8	-67.2	-70.8	0	0	0	114.7	C49 F72 H76 F372 P379 T385 K389	C49-F51 VanDerWaalsContact C-N 3.33Å; C49-F51 PolarHBondContact O-N 2.62Å; C49-F51 PolarHBondContact SG-N 3.28Å; F51-F72 AromaticContact CD2-CD1 3.88Å; F51-F72 HydrophobicContact CD2-CD1 3.88Å; F51-F72 HydrophobicContact CD2-CE1 4.04Å; F51-F72 AromaticContact CE2-CD1 3.94Å; F51-F72 HydrophobicContact CE2-CD1 3.94Å; F51-F72 AromaticContact CE2-CE1 3.7Å; F51-F72 HydrophobicContact CE2-CE1 3.7Å; F51-H76 HydrophobicContact CB-CB 4.39Å; F51-H76 HydrophobicContact CD2-CB 4.01Å; F51-F372 HydrophobicContact CB-CE2 4.11Å; F51-F372 HydrophobicContact CB-CZ 4.17Å; F51-F372 HydrophobicContact CD1-CB 4.18Å; F51-F372 AromaticContact CD1-CD1 3.58Å; F51-F372 HydrophobicContact CD1-CD1 3.58Å; F51-F372 HydrophobicContact CD1-CD2 4.09Å; F51-F372 AromaticContact CD1-CE1 3.82Å; F51-F372 HydrophobicContact CD1-CE1 3.82Å; F51-F372 HydrophobicContact CD1-CE2 4.28Å; F51-F372 AromaticContact CD1-CG 3.71Å; F51-F372 HydrophobicContact CD1-CG 3.71Å; F51-F372 HydrophobicContact CD1-CZ 4.14Å; F51-F372 HydrophobicContact CE1-CB 4.07Å; F51-F372 AromaticContact CE1-CD1 3.99Å; F51-F372 HydrophobicContact CE1-CD1 3.99Å; F51-F372 HydrophobicContact CE1-CG 4.07Å; F51-F372 WeakPolarHBondContact O-CZ 3.44Å; F51-P379 HydrophobicContact CD1-CB 4.3Å; F51-P379 HydrophobicContact CE1-CB 3.65Å; F51-P379 HydrophobicContact CE1-CG 3.82Å; F51-P379 HydrophobicContact CE2-CB 4.39Å; F51-P379 HydrophobicContact CE2-CG 3.77Å; F51-P379 HydrophobicContact CZ-CB 3.71Å; F51-P379 HydrophobicContact CZ-CG 3.3Å; F51-T385 HydrophobicContact CD1-CG2 3.63Å; F51-T385 HydrophobicContact CE1-CG2 3.78Å; F51-K389 WeakPolarHBondContact O-CG 3.47Å
52	S	94.3	Very high	89.7	Confident	6 Å²	6	29.3 Å²	29.3	4%	0.042	15%	0.148	C	C	.	.	S	Bend	trans	-133.2	178.8	-179.6	68.4	0	0	0	0	110.9	C49 D54 K389	C49-S52 WeakPolarHBondContact CB-O 3.18Å; C49-S52 WeakPolarHBondContact CB-OG 3.42Å; C49-S52 PolarHBondContact SG-N 3.23Å; C49-S52 PolarHBondContact SG-OG 2.85Å; S52-D54 VanDerWaalsContact C-N 3.28Å; S52-D54 WeakPolarHBondContact OG-CB 3.5Å; S52-D54 PolarHBondContact OG-N 3.08Å; S52-D54 PolarHBondContact OG-OD2 3.13Å; S52-K389 WeakPolarHBondContact O-CE 3.24Å; S52-K389 PolarHBondContact O-NZ 3.24Å
53	Y	92.6	Very high	90.2	Very high	20 Å²	20	27.5 Å²	27.5	8%	0.078	14%	0.137	C	C	.	.			trans	-94.8	23.2	170.4	-66.4	-79.4	0	0	0	112.4	K389 L390 Y399 I424 S425	Y53-K389 HydrophobicContact CD2-CG 4.41Å; Y53-K389 HydrophobicContact CE2-CG 3.91Å; Y53-L390 WeakPolarHBondContact OH-CD1 3.38Å; Y53-Y399 HydrophobicContact CD2-CE2 4.23Å; Y53-Y399 PolarHBondContact N-OH 2.94Å; Y53-Y399 VanDerWaalsContact N-OH 3.15Å; Y53-I424 HydrophobicContact CD1-CB 4.18Å; Y53-I424 HydrophobicContact CD2-CB 4.02Å; Y53-I424 HydrophobicContact CD2-CD1 4.22Å; Y53-I424 HydrophobicContact CD2-CG2 3.92Å; Y53-I424 HydrophobicContact CE1-CB 4.34Å; Y53-I424 HydrophobicContact CE2-CB 4.18Å; Y53-I424 HydrophobicContact CE2-CD1 3.69Å; Y53-I424 HydrophobicContact CE2-CG1 4.31Å; Y53-I424 HydrophobicContact CE2-CG2 4.42Å; Y53-I424 HydrophobicContact CG-CB 4.01Å; Y53-I424 HydrophobicContact CG-CG2 4.09Å; Y53-S425 VanDerWaalsContact CE1-O 3.26Å; Y53-S425 WeakPolarHBondContact CE1-O 3.14Å
54	D	91.8	Very high	90.5	Very high	19 Å²	19	21.7 Å²	21.7	10%	0.102	12%	0.115	C	C	.	.			trans	-65.1	138.4	171.7	-62	-21.3	0	0	0	109.8	E48 C49 S52	E48-D54 WeakPolarHBondContact CA-O 3.31Å; C49-D54 HydrophobicContact CB-CB 4.19Å; C49-D54 PolarHBondContact N-O 2.59Å; S52-D54 VanDerWaalsContact C-N 3.28Å; S52-D54 WeakPolarHBondContact OG-CB 3.5Å; S52-D54 PolarHBondContact OG-N 3.08Å; S52-D54 PolarHBondContact OG-OD2 3.13Å
55	S	89.3	Confident	90.7	Very high	29 Å²	29	21.6 Å²	21.6	20%	0.203	12%	0.115	C	C	.	.			trans	-131.5	174.2	-179.9	70.8	0	0	0	0	109.6	N47 N57 S58	N47-S55 VanDerWaalsContact O-CB 3.29Å; N47-S55 WeakPolarHBondContact O-CB 3.38Å; S55-N57 PolarHBondContact O-N 3.47Å; S55-N57 PolarHBondContact OG-N 3.48Å; S55-S58 PolarHBondContact N-OG 3.36Å; S55-S58 WeakPolarHBondContact O-CB 3.41Å; S55-S58 PolarHBondContact O-N 3.26Å; S55-S58 PolarHBondContact O-OG 3.25Å
56	P	88	Confident	90.9	Very high	3 Å²	3	21 Å²	21	2%	0.019	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.3	173.9	-27.4	38.8	0	0	0	113.7	K46 S58 L62 L92 K93 R94 L120	K46-P56 WeakPolarHBondContact O-CG 3.45Å; P56-S58 VanDerWaalsContact C-N 3.27Å; P56-S58 PolarHBondContact O-N 3.27Å; P56-L62 HydrophobicContact CG-CB 4.24Å; P56-L62 HydrophobicContact CG-CD2 4.26Å; P56-L92 HydrophobicContact CB-CB 4.45Å; P56-L92 HydrophobicContact CG-CB 4.36Å; P56-K93 CarbonylContact O-C 3.49Å; P56-K93 WeakPolarHBondContact O-CA 3.45Å; P56-R94 HydrophobicContact CB-CB 4.34Å; P56-R94 PolarHBondContact O-N 2.88Å; P56-L120 HydrophobicContact CB-CD1 3.69Å; P56-L120 HydrophobicContact CG-CD1 3.69Å; P56-L120 HydrophobicContact CG-CD2 3.88Å; P56-L120 HydrophobicContact CG-CG 4.47Å
57	N	85.3	Confident	91.1	Very high	82 Å²	82	23.3 Å²	23.3	44%	0.439	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.4	175.9	-59.6	-13.4	0	0	0	113.3	S55 R94	S55-N57 PolarHBondContact O-N 3.47Å; S55-N57 PolarHBondContact OG-N 3.48Å; N57-R94 WeakPolarHBondContact OD1-CB 3.48Å; N57-R94 WeakPolarHBondContact OD1-CD 3.29Å; N57-R94 WeakPolarHBondContact OD1-CG 3.42Å
58	S	86.7	Confident	91.4	Very high	29 Å²	29	25 Å²	25	20%	0.203	14%	0.136	C	C	.	.	S	Bend	trans	-76.1	152.9	-178.9	-57.7	0	0	0	0	111	S55 P56 G60 G61	S55-S58 PolarHBondContact N-OG 3.36Å; S55-S58 WeakPolarHBondContact O-CB 3.41Å; S55-S58 PolarHBondContact O-N 3.26Å; S55-S58 PolarHBondContact O-OG 3.25Å; P56-S58 VanDerWaalsContact C-N 3.27Å; P56-S58 PolarHBondContact O-N 3.27Å; S58-G60 PolarHBondContact O-N 2.83Å; S58-G60 VanDerWaalsContact O-N 3.11Å; S58-G61 PolarHBondContact O-N 3.38Å
59	E	85.3	Confident	91.5	Very high	171 Å²	171	24.4 Å²	24.4	80%	0.799	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.5	-174.9	-170.9	-171.9	163.4	0	0	113.2	K93	E59-K93 WeakPolarHBondContact O-CE 3.27Å; E59-K93 PolarHBondContact O-NZ 3.13Å
60	G	85.8	Confident	91.5	Very high	17 Å²	17	24.7 Å²	24.7	18%	0.175	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.7	178.1	0	0	0	0	0	115.5	S58 H91	S58-G60 PolarHBondContact O-N 2.83Å; S58-G60 VanDerWaalsContact O-N 3.11Å; G60-H91 PolarHBondContact O-NE2 2.98Å
61	G	91	Very high	91.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.			trans	61	-164.2	-169.4	0	0	0	0	0	113.1	S58 L92	S58-G61 PolarHBondContact O-N 3.38Å; G61-L92 CarbonylContact C-O 3.23Å; G61-L92 VanDerWaalsContact CA-O 3.31Å; G61-L92 WeakPolarHBondContact CA-O 3.36Å
62	L	94.1	Very high	91.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.9	-175.2	-163.5	68.4	0	0	0	111.1	K46 C49 P56 A71 H91 L92	K46-L62 VanDerWaalsContact O-CD2 3.31Å; K46-L62 WeakPolarHBondContact O-CD2 3.38Å; C49-L62 HydrophobicContact CB-CD1 3.89Å; P56-L62 HydrophobicContact CG-CB 4.24Å; P56-L62 HydrophobicContact CG-CD2 4.26Å; L62-A71 HydrophobicContact CD1-CB 3.92Å; L62-A71 HydrophobicContact CD2-CB 3.57Å; L62-A71 HydrophobicContact CG-CB 3.66Å; L62-H91 CarbonylContact O-C 3.54Å; L62-H91 WeakPolarHBondContact O-CA 3.42Å; L62-L92 PolarHBondContact N-O 3.14Å; L62-L92 PolarHBondContact O-N 3.27Å
63	Y	95.3	Very high	91.6	Very high	18 Å²	18	24 Å²	24	7%	0.071	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108	-179.6	-63.1	-98.1	0	0	0	110.3	A71 F72 R74 V77 M90 H91 V140 F142	Y63-A71 CarbonylContact O-C 3.53Å; Y63-A71 WeakPolarHBondContact O-CA 3.41Å; Y63-F72 WeakPolarHBondContact CB-O 3.46Å; Y63-F72 PolarHBondContact N-O 3.36Å; Y63-F72 PolarHBondContact O-N 3.45Å; Y63-R74 HydrophobicContact CE2-CB 4.08Å; Y63-R74 HydrophobicContact CE2-CG 4.44Å; Y63-V77 HydrophobicContact CD1-CG2 4.3Å; Y63-V77 HydrophobicContact CD2-CB 4.24Å; Y63-V77 HydrophobicContact CD2-CG1 4.15Å; Y63-V77 HydrophobicContact CE2-CG1 4.41Å; Y63-V77 HydrophobicContact CG-CB 4.14Å; Y63-V77 HydrophobicContact CG-CG1 4.3Å; Y63-V77 HydrophobicContact CG-CG2 3.98Å; Y63-M90 CarbonylContact C-O 3.54Å; Y63-H91 HydrophobicContact CD1-CB 3.98Å; Y63-H91 AromaticContact CD1-CD2 3.86Å; Y63-H91 AromaticContact CD2-CD2 3.88Å; Y63-H91 HydrophobicContact CE1-CB 3.93Å; Y63-H91 AromaticContact CE1-CD2 3.51Å; Y63-H91 AromaticContact CE1-CG 3.89Å; Y63-H91 AromaticContact CE2-CD2 3.52Å; Y63-H91 AromaticContact CE2-NE2 3.91Å; Y63-H91 AromaticContact CZ-CD2 3.33Å; Y63-H91 AromaticContact CZ-NE2 3.77Å; Y63-V140 HydrophobicContact CE1-CB 4.35Å; Y63-V140 HydrophobicContact CE1-CG1 4.33Å; Y63-V140 HydrophobicContact CE1-CG2 4.15Å; Y63-F142 HydrophobicContact CD1-CE2 4.48Å
64	V	94.6	Very high	91.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.5	177.3	-174.1	0	0	0	0	109.7	K46 M66 L70 A71 Y89 M90 L92 V167	K46-V64 HydrophobicContact CB-CG2 4.43Å; V64-M66 PolarHBondContact O-N 2.99Å; V64-L70 CarbonylContact C-O 3.51Å; V64-L70 WeakPolarHBondContact CA-O 3.23Å; V64-A71 HydrophobicContact CG2-CB 4.42Å; V64-Y89 CarbonylContact O-C 2.98Å; V64-Y89 VanDerWaalsContact O-CA 3.26Å; V64-Y89 WeakPolarHBondContact O-CA 3.3Å; V64-M90 PolarHBondContact N-O 3.39Å; V64-M90 PolarHBondContact O-N 3.07Å; V64-L92 HydrophobicContact CG2-CD1 3.77Å; V64-L92 HydrophobicContact CG2-CG 4.39Å; V64-V167 HydrophobicContact CG1-CG1 3.98Å
65	C	94.6	Very high	91.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	123.7	175.7	173	0	0	0	0	110.8	N67 T68 F69 L70 F72 Y89	C65-N67 PolarHBondContact O-N 2.94Å; C65-N67 VanDerWaalsContact O-N 3.13Å; C65-N67 PolarHBondContact SG-N 3.43Å; C65-N67 VanDerWaalsContact SG-N 3.45Å; C65-T68 WeakPolarHBondContact CB-OG1 3.39Å; C65-T68 PolarHBondContact SG-N 3.49Å; C65-T68 PolarHBondContact SG-OG1 2.89Å; C65-F69 WeakPolarHBondContact O-CA 3.49Å; C65-F69 PolarHBondContact O-N 3.48Å; C65-L70 WeakPolarHBondContact CB-O 3.42Å; C65-L70 PolarHBondContact N-O 3.26Å; C65-F72 HydrophobicContact CB-CE2 4.26Å; C65-Y89 HydrophobicContact CB-CD1 4.12Å; C65-Y89 HydrophobicContact CB-CE1 4.03Å
66	M	92.7	Very high	91.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	1.3	-178.9	-65.8	-60.4	-71.7	0	0	114.2	I35 R36 V64 V88 M90 L139 A163 V167	I35-M66 HydrophobicContact CG1-CB 4.38Å; I35-M66 HydrophobicContact CG2-CB 4.37Å; I35-M66 HydrophobicContact CG2-CE 4.32Å; R36-M66 PolarHBondContact N-O 3.25Å; V64-M66 PolarHBondContact O-N 2.99Å; M66-V88 HydrophobicContact CB-CG1 4.29Å; M66-V88 HydrophobicContact CG-CG1 3.99Å; M66-V88 PolarHBondContact N-O 3.03Å; M66-M90 HydrophobicContact SD-CB 3.68Å; M66-L139 HydrophobicContact CG-CD1 4.08Å; M66-A163 HydrophobicContact CE-CB 3.73Å; M66-V167 HydrophobicContact CE-CG2 4.39Å; M66-V167 HydrophobicContact SD-CG2 4.31Å
67	N	92.6	Very high	92	Very high	49 Å²	49	37 Å²	37	26%	0.262	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-52.6	177.6	-169.1	17	0	0	0	112.4	T34 R36 C65	T34-N67 WeakPolarHBondContact O-CA 3.28Å; T34-N67 WeakPolarHBondContact O-CB 3.35Å; T34-N67 VanDerWaalsContact O-CG 3.28Å; T34-N67 PolarHBondContact O-OD1 3.36Å; R36-N67 WeakPolarHBondContact CD-OD1 3.24Å; R36-N67 WeakPolarHBondContact CG-OD1 2.99Å; C65-N67 PolarHBondContact O-N 2.94Å; C65-N67 VanDerWaalsContact O-N 3.13Å; C65-N67 PolarHBondContact SG-N 3.43Å; C65-N67 VanDerWaalsContact SG-N 3.45Å
68	T	91.6	Very high	92.3	Very high	57 Å²	57	37 Å²	37	35%	0.35	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.8	-175.1	59.9	0	0	0	0	113.4	C65 L70	C65-T68 WeakPolarHBondContact CB-OG1 3.39Å; C65-T68 PolarHBondContact SG-N 3.49Å; C65-T68 PolarHBondContact SG-OG1 2.89Å; T68-L70 PolarHBondContact O-N 3.25Å
69	F	94.1	Very high	92.5	Very high	5 Å²	5	38 Å²	38	2%	0.022	18%	0.178	C	C	.	.			trans	61.2	18.9	-177.4	-39.7	-52.4	0	0	0	114.7	R36 P38 D42 V44 Y45 C65 V167	R36-F69 HydrophobicContact CB-CE1 4.26Å; R36-F69 HydrophobicContact CB-CZ 3.71Å; R36-F69 WeakPolarHBondContact O-CE1 3.15Å; P38-F69 HydrophobicContact CB-CE2 4.16Å; P38-F69 HydrophobicContact CB-CZ 4.15Å; P38-F69 HydrophobicContact CG-CD1 4Å; P38-F69 HydrophobicContact CG-CD2 4.45Å; P38-F69 HydrophobicContact CG-CE1 3.65Å; P38-F69 HydrophobicContact CG-CE2 4.12Å; P38-F69 HydrophobicContact CG-CG 4.39Å; P38-F69 HydrophobicContact CG-CZ 3.7Å; D42-F69 HydrophobicContact CB-CD2 3.97Å; D42-F69 HydrophobicContact CB-CE2 3.94Å; V44-F69 HydrophobicContact CB-CB 4.24Å; V44-F69 HydrophobicContact CG1-CB 4.24Å; V44-F69 HydrophobicContact CG2-CB 3.96Å; V44-F69 HydrophobicContact CG2-CD2 4.34Å; V44-F69 HydrophobicContact CG2-CG 4.12Å; Y45-F69 PolarHBondContact N-O 2.87Å; C65-F69 WeakPolarHBondContact O-CA 3.49Å; C65-F69 PolarHBondContact O-N 3.48Å; F69-V167 HydrophobicContact CD1-CG2 4.24Å; F69-V167 HydrophobicContact CE1-CG2 4.4Å
70	L	94.2	Very high	92.9	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	14%	0.142	C	C	.	.			trans	-78.8	144.3	169.9	-61.4	176.5	0	0	0	110.7	Y45 V64 C65 T68 F72 L377 D378 T380	Y45-L70 HydrophobicContact CD2-CD2 3.77Å; Y45-L70 HydrophobicContact CE2-CD2 3.89Å; V64-L70 CarbonylContact C-O 3.51Å; V64-L70 WeakPolarHBondContact CA-O 3.23Å; C65-L70 WeakPolarHBondContact CB-O 3.42Å; C65-L70 PolarHBondContact N-O 3.26Å; T68-L70 PolarHBondContact O-N 3.25Å; L70-F72 HydrophobicContact CB-CE2 3.69Å; L70-F72 HydrophobicContact CB-CZ 3.61Å; L70-F72 HydrophobicContact CD1-CZ 4.12Å; L70-L377 WeakPolarHBondContact CD1-O 3.41Å; L70-D378 HydrophobicContact CD1-CB 4.33Å; L70-D378 WeakPolarHBondContact CD2-OD1 3.42Å; L70-T380 HydrophobicContact CD2-CG2 3.89Å
71	A	94.1	Very high	93.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.4	177.2	0	0	0	0	0	113	Y45 E48 C49 A50 L62 Y63 V64	Y45-A71 WeakPolarHBondContact O-CB 3.22Å; E48-A71 WeakPolarHBondContact O-CB 3.22Å; C49-A71 CarbonylContact C-O 3.38Å; C49-A71 WeakPolarHBondContact CA-O 3.34Å; A50-A71 PolarHBondContact N-O 3.27Å; L62-A71 HydrophobicContact CD1-CB 3.92Å; L62-A71 HydrophobicContact CD2-CB 3.57Å; L62-A71 HydrophobicContact CG-CB 3.66Å; Y63-A71 CarbonylContact O-C 3.53Å; Y63-A71 WeakPolarHBondContact O-CA 3.41Å; V64-A71 HydrophobicContact CG2-CB 4.42Å
72	F	95.4	Very high	93.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.5	177.7	-54.9	-76.5	0	0	0	110.4	A50 F51 Y63 C65 L70 H76 V77 H80 Y89	A50-F72 HydrophobicContact CB-CD1 4.41Å; A50-F72 HydrophobicContact CB-CE1 4.03Å; F51-F72 AromaticContact CD2-CD1 3.88Å; F51-F72 HydrophobicContact CD2-CD1 3.88Å; F51-F72 HydrophobicContact CD2-CE1 4.04Å; F51-F72 AromaticContact CE2-CD1 3.94Å; F51-F72 HydrophobicContact CE2-CD1 3.94Å; F51-F72 AromaticContact CE2-CE1 3.7Å; F51-F72 HydrophobicContact CE2-CE1 3.7Å; Y63-F72 WeakPolarHBondContact CB-O 3.46Å; Y63-F72 PolarHBondContact N-O 3.36Å; Y63-F72 PolarHBondContact O-N 3.45Å; C65-F72 HydrophobicContact CB-CE2 4.26Å; L70-F72 HydrophobicContact CB-CE2 3.69Å; L70-F72 HydrophobicContact CB-CZ 3.61Å; L70-F72 HydrophobicContact CD1-CZ 4.12Å; F72-H76 HydrophobicContact CB-CB 4.42Å; F72-V77 HydrophobicContact CB-CB 4Å; F72-H80 HydrophobicContact CD1-CB 4.17Å; F72-H80 HydrophobicContact CD2-CB 4.02Å; F72-H80 AromaticContact CD2-CG 3.98Å; F72-H80 HydrophobicContact CE1-CB 4.04Å; F72-H80 AromaticContact CE1-CD2 3.94Å; F72-H80 HydrophobicContact CE2-CB 3.87Å; F72-H80 AromaticContact CE2-CD2 3.41Å; F72-H80 VanDerWaalsContact CE2-CD2 3.41Å; F72-H80 WeakPolarHBondContact CE2-CD2 3.29Å; F72-H80 AromaticContact CE2-CE1 3.96Å; F72-H80 AromaticContact CE2-CG 3.39Å; F72-H80 AromaticContact CE2-ND1 3.76Å; F72-H80 AromaticContact CE2-NE2 3.76Å; F72-H80 HydrophobicContact CG-CB 4.17Å; F72-H80 HydrophobicContact CZ-CB 3.89Å; F72-H80 AromaticContact CZ-CD2 3.12Å; F72-H80 WeakPolarHBondContact CZ-CD2 3.48Å; F72-H80 AromaticContact CZ-CG 3.5Å; F72-H80 AromaticContact CZ-NE2 3.76Å; F72-Y89 HydrophobicContact CD2-CE1 4.25Å
73	G	93.9	Very high	93	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	167.9	168.4	0	0	0	0	0	110.8	C49 E75 H76 V77	C49-G73 PolarHBondContact SG-N 2.96Å; G73-E75 PolarHBondContact O-N 2.8Å; G73-E75 VanDerWaalsContact O-N 3.15Å; G73-H76 PolarHBondContact O-N 3.1Å; G73-V77 PolarHBondContact O-N 2.9Å
74	R	92.3	Very high	92.7	Very high	162 Å²	162	45.4 Å²	45.4	61%	0.611	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.6	-178	-175.6	179	179.3	-178	1.5	113.4	Y63 H76	Y63-R74 HydrophobicContact CE2-CB 4.08Å; Y63-R74 HydrophobicContact CE2-CG 4.44Å; R74-H76 VanDerWaalsContact C-N 3.31Å; R74-H76 PolarHBondContact O-N 3.1Å
75	E	90.8	Very high	92.5	Very high	154 Å²	154	47.9 Å²	47.9	72%	0.72	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.3	-179.4	-60.1	-170	166.8	0	0	113.6	G73	G73-E75 PolarHBondContact O-N 2.8Å; G73-E75 VanDerWaalsContact O-N 3.15Å
76	H	93.1	Very high	92.3	Very high	23 Å²	23	48.3 Å²	48.3	11%	0.106	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-18.3	-171.3	-60.7	-41.4	0	0	0	114	F51 F72 G73 R74 E78 R79 H80	F51-H76 HydrophobicContact CB-CB 4.39Å; F51-H76 HydrophobicContact CD2-CB 4.01Å; F72-H76 HydrophobicContact CB-CB 4.42Å; G73-H76 PolarHBondContact O-N 3.1Å; R74-H76 VanDerWaalsContact C-N 3.31Å; R74-H76 PolarHBondContact O-N 3.1Å; H76-E78 VanDerWaalsContact C-N 3.27Å; H76-E78 PolarHBondContact O-N 3.15Å; H76-R79 WeakPolarHBondContact O-CB 3.14Å; H76-R79 PolarHBondContact O-N 3.12Å; H76-H80 PolarHBondContact O-N 3.1Å
77	V	93.9	Very high	92.3	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-38.1	178.3	64.9	0	0	0	0	112	Y63 F72 G73 R79 H80 F81 Y89 F142	Y63-V77 HydrophobicContact CD1-CG2 4.3Å; Y63-V77 HydrophobicContact CD2-CB 4.24Å; Y63-V77 HydrophobicContact CD2-CG1 4.15Å; Y63-V77 HydrophobicContact CE2-CG1 4.41Å; Y63-V77 HydrophobicContact CG-CB 4.14Å; Y63-V77 HydrophobicContact CG-CG1 4.3Å; Y63-V77 HydrophobicContact CG-CG2 3.98Å; F72-V77 HydrophobicContact CB-CB 4Å; G73-V77 PolarHBondContact O-N 2.9Å; V77-R79 VanDerWaalsContact C-N 3.32Å; V77-R79 PolarHBondContact O-N 3.25Å; V77-H80 PolarHBondContact O-N 3.33Å; V77-F81 PolarHBondContact O-N 3.48Å; V77-Y89 HydrophobicContact CG2-CD1 3.85Å; V77-Y89 HydrophobicContact CG2-CD2 4.11Å; V77-Y89 HydrophobicContact CG2-CE1 3.8Å; V77-Y89 HydrophobicContact CG2-CE2 4.06Å; V77-Y89 HydrophobicContact CG2-CG 4.02Å; V77-F142 HydrophobicContact CB-CZ 4.31Å; V77-F142 HydrophobicContact CG1-CE1 4.15Å; V77-F142 HydrophobicContact CG1-CE2 4.45Å; V77-F142 HydrophobicContact CG1-CZ 3.58Å; V77-F142 HydrophobicContact CG2-CE2 3.8Å; V77-F142 HydrophobicContact CG2-CZ 3.72Å
78	E	91.8	Very high	92.3	Very high	83 Å²	83	46.3 Å²	46.3	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-68.6	-32.6	179.7	-157.1	-178.9	177.4	0	0	112	H76 F81 R82	H76-E78 VanDerWaalsContact C-N 3.27Å; H76-E78 PolarHBondContact O-N 3.15Å; E78-F81 PolarHBondContact O-N 3.43Å; E78-R82 VanDerWaalsContact O-CG 3.31Å; E78-R82 WeakPolarHBondContact O-CG 3.48Å; E78-R82 PolarHBondContact O-N 2.89Å; E78-R82 IonicContact OE1-CZ 3.61Å; E78-R82 IonicContact OE1-NE 2.77Å; E78-R82 IonicContact OE1-NH2 2.94Å; E78-R82 PolarHBondContact OE1-NH2 3.44Å; E78-R82 IonicContact OE2-CZ 3.18Å; E78-R82 IonicContact OE2-NH2 3.21Å; E78-R82 PolarHBondContact OE2-NH2 2.85Å
79	R	91.2	Very high	92.4	Very high	49 Å²	49	43.6 Å²	43.6	19%	0.185	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-47.3	171.4	176	-176.4	-83.5	139.6	-6.2	110.5	H76 V77 R82 K83 D373	H76-R79 WeakPolarHBondContact O-CB 3.14Å; H76-R79 PolarHBondContact O-N 3.12Å; V77-R79 VanDerWaalsContact C-N 3.32Å; V77-R79 PolarHBondContact O-N 3.25Å; R79-R82 PolarHBondContact O-N 2.88Å; R79-K83 WeakPolarHBondContact O-CB 3.38Å; R79-K83 PolarHBondContact O-N 2.81Å; R79-D373 IonicContact CZ-OD1 2.9Å; R79-D373 VanDerWaalsContact CZ-OD1 3.28Å; R79-D373 IonicContact NE-OD1 2.69Å; R79-D373 PolarHBondContact NE-OD1 3.38Å; R79-D373 IonicContact NH2-OD1 2.76Å; R79-D373 PolarHBondContact NH2-OD1 3.15Å
80	H	93.4	Very high	92.3	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-43.2	178.7	-179.2	-93.2	0	0	0	111.6	F72 H76 V77 K83 T84 Y89	F72-H80 HydrophobicContact CD1-CB 4.17Å; F72-H80 HydrophobicContact CD2-CB 4.02Å; F72-H80 AromaticContact CD2-CG 3.98Å; F72-H80 HydrophobicContact CE1-CB 4.04Å; F72-H80 AromaticContact CE1-CD2 3.94Å; F72-H80 HydrophobicContact CE2-CB 3.87Å; F72-H80 AromaticContact CE2-CD2 3.41Å; F72-H80 VanDerWaalsContact CE2-CD2 3.41Å; F72-H80 WeakPolarHBondContact CE2-CD2 3.29Å; F72-H80 AromaticContact CE2-CE1 3.96Å; F72-H80 AromaticContact CE2-CG 3.39Å; F72-H80 AromaticContact CE2-ND1 3.76Å; F72-H80 AromaticContact CE2-NE2 3.76Å; F72-H80 HydrophobicContact CG-CB 4.17Å; F72-H80 HydrophobicContact CZ-CB 3.89Å; F72-H80 AromaticContact CZ-CD2 3.12Å; F72-H80 WeakPolarHBondContact CZ-CD2 3.48Å; F72-H80 AromaticContact CZ-CG 3.5Å; F72-H80 AromaticContact CZ-NE2 3.76Å; H76-H80 PolarHBondContact O-N 3.1Å; V77-H80 PolarHBondContact O-N 3.33Å; H80-K83 PolarHBondContact O-N 2.8Å; H80-T84 PolarHBondContact CE1-OG1 2.95Å; H80-T84 VanDerWaalsContact CE1-OG1 3.29Å; H80-T84 PolarHBondContact ND1-OG1 3.41Å; H80-T84 WeakPolarHBondContact O-CB 2.88Å; H80-T84 PolarHBondContact O-N 3.42Å; H80-T84 PolarHBondContact O-OG1 3.26Å; H80-Y89 AromaticContact ND1-CE1 3.59Å; H80-Y89 AromaticContact ND1-CZ 3.64Å; H80-Y89 PolarHBondContact ND1-OH 3.49Å
81	F	92.6	Very high	92.3	Very high	46 Å²	46	43.7 Å²	43.7	20%	0.202	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-50.2	174.6	167.8	-116.5	0	0	0	112	V77 E78 K83 G85 Q86 Y89 F142 P143	V77-F81 PolarHBondContact O-N 3.48Å; E78-F81 PolarHBondContact O-N 3.43Å; F81-K83 VanDerWaalsContact C-N 3.27Å; F81-K83 PolarHBondContact O-N 2.89Å; F81-G85 VanDerWaalsContact O-CA 3.26Å; F81-G85 WeakPolarHBondContact O-CA 3.15Å; F81-G85 PolarHBondContact O-N 2.61Å; F81-Q86 VanDerWaalsContact CD2-O 3.24Å; F81-Q86 WeakPolarHBondContact CD2-O 3.43Å; F81-Y89 PolarHBondContact N-OH 3.35Å; F81-F142 HydrophobicContact CD1-CB 4.4Å; F81-F142 HydrophobicContact CD1-CD1 4.5Å; F81-F142 HydrophobicContact CD2-CB 4Å; F81-F142 HydrophobicContact CE2-CB 4.09Å; F81-F142 HydrophobicContact CG-CB 4.13Å; F81-F142 HydrophobicContact CZ-CB 4.34Å; F81-P143 HydrophobicContact CE1-CB 4.06Å; F81-P143 HydrophobicContact CZ-CB 4.1Å
82	R	91.3	Very high	92.1	Very high	175 Å²	175	43.7 Å²	43.7	66%	0.66	20%	0.204	S	C	*	.	H	α-helix	trans	-62.6	-34	179.4	-70.3	176.4	-166.2	146.3	0.6	112.9	E78 R79	E78-R82 VanDerWaalsContact O-CG 3.31Å; E78-R82 WeakPolarHBondContact O-CG 3.48Å; E78-R82 PolarHBondContact O-N 2.89Å; E78-R82 IonicContact OE1-CZ 3.61Å; E78-R82 IonicContact OE1-NE 2.77Å; E78-R82 IonicContact OE1-NH2 2.94Å; E78-R82 PolarHBondContact OE1-NH2 3.44Å; E78-R82 IonicContact OE2-CZ 3.18Å; E78-R82 IonicContact OE2-NH2 3.21Å; E78-R82 PolarHBondContact OE2-NH2 2.85Å; R79-R82 PolarHBondContact O-N 2.88Å
83	K	89.8	Confident	91.9	Very high	81 Å²	81	46 Å²	46	35%	0.352	22%	0.215	S	C	.	.	H	α-helix	trans	-81	-36.6	-176.7	-171.6	168.7	-174	157.7	0	113.6	R79 H80 F81 D373 S375	R79-K83 WeakPolarHBondContact O-CB 3.38Å; R79-K83 PolarHBondContact O-N 2.81Å; H80-K83 PolarHBondContact O-N 2.8Å; F81-K83 VanDerWaalsContact C-N 3.27Å; F81-K83 PolarHBondContact O-N 2.89Å; K83-D373 PolarHBondContact NZ-O 3.11Å; K83-S375 VanDerWaalsContact CE-O 3.28Å; K83-S375 WeakPolarHBondContact CE-O 3.46Å; K83-S375 PolarHBondContact NZ-O 2.9Å; K83-S375 PolarHBondContact NZ-OG 2.96Å; K83-S375 VanDerWaalsContact NZ-OG 3.1Å
84	T	90	Very high	91.5	Very high	52 Å²	52	46.7 Å²	46.7	32%	0.319	22%	0.217	S	C	.	.	H	α-helix	trans	-110.1	-17.2	-171.6	65.2	0	0	0	0	113.9	H80 Q86 L377	H80-T84 PolarHBondContact CE1-OG1 2.95Å; H80-T84 VanDerWaalsContact CE1-OG1 3.29Å; H80-T84 PolarHBondContact ND1-OG1 3.41Å; H80-T84 WeakPolarHBondContact O-CB 2.88Å; H80-T84 PolarHBondContact O-N 3.42Å; H80-T84 PolarHBondContact O-OG1 3.26Å; T84-Q86 PolarHBondContact O-N 3.08Å; T84-Q86 WeakPolarHBondContact OG1-CB 3.24Å; T84-Q86 PolarHBondContact OG1-N 3.04Å; T84-L377 HydrophobicContact CG2-CD2 3.8Å
85	G	89.4	Confident	91	Very high	53 Å²	53	41.9 Å²	41.9	55%	0.546	20%	0.201	S	C	.	.			trans	73.9	1.2	-170.2	0	0	0	0	0	114.3	F81 S87	F81-G85 VanDerWaalsContact O-CA 3.26Å; F81-G85 WeakPolarHBondContact O-CA 3.15Å; F81-G85 PolarHBondContact O-N 2.61Å; G85-S87 PolarHBondContact O-N 3.48Å
86	Q	91.3	Very high	90.3	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.042	19%	0.187	C	C	.	.			trans	-68.7	119.2	-178.7	-179.5	67.6	23.7	0	0	111.3	T34 F81 T84 V88 Y89	T34-Q86 PolarHBondContact OG1-NE2 3.29Å; F81-Q86 VanDerWaalsContact CD2-O 3.24Å; F81-Q86 WeakPolarHBondContact CD2-O 3.43Å; T84-Q86 PolarHBondContact O-N 3.08Å; T84-Q86 WeakPolarHBondContact OG1-CB 3.24Å; T84-Q86 PolarHBondContact OG1-N 3.04Å; Q86-V88 PolarHBondContact NE2-O 3.35Å; Q86-Y89 HydrophobicContact CG-CE2 4.46Å; Q86-Y89 WeakPolarHBondContact O-CE2 3.49Å; Q86-Y89 VanDerWaalsContact O-CZ 3.25Å; Q86-Y89 PolarHBondContact O-OH 3.2Å
87	S	90.8	Very high	89.2	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.042	21%	0.209	C	C	.	.			trans	-98.3	-24.3	-175.7	53.8	0	0	0	0	114.8	H31 G85 I141 F142	H31-S87 PolarHBondContact CE1-OG 2.82Å; H31-S87 PolarHBondContact ND1-OG 3.13Å; G85-S87 PolarHBondContact O-N 3.48Å; S87-I141 CarbonylContact O-C 3.56Å; S87-I141 WeakPolarHBondContact O-CA 3.03Å; S87-F142 WeakPolarHBondContact CB-O 3.41Å; S87-F142 PolarHBondContact O-N 2.83Å
88	V	92.6	Very high	87.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.1	-171.7	-173.9	0	0	0	0	111.6	H31 I35 M66 Q86 L139	H31-V88 HydrophobicContact CB-CG2 3.46Å; H31-V88 VanDerWaalsContact CB-CG2 3.46Å; I35-V88 HydrophobicContact CD1-CG1 4.1Å; I35-V88 HydrophobicContact CG1-CB 4.46Å; I35-V88 HydrophobicContact CG1-CG1 4.31Å; M66-V88 HydrophobicContact CB-CG1 4.29Å; M66-V88 HydrophobicContact CG-CG1 3.99Å; M66-V88 PolarHBondContact N-O 3.03Å; Q86-V88 PolarHBondContact NE2-O 3.35Å; V88-L139 HydrophobicContact CG1-CD1 3.64Å; V88-L139 HydrophobicContact CG1-CD2 4.18Å; V88-L139 HydrophobicContact CG1-CG 3.97Å
89	Y	93.8	Very high	86.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.2	179.1	-58.3	-97.3	0	0	0	111	V64 C65 F72 V77 H80 F81 Q86 V140 F142	V64-Y89 CarbonylContact O-C 2.98Å; V64-Y89 VanDerWaalsContact O-CA 3.26Å; V64-Y89 WeakPolarHBondContact O-CA 3.3Å; C65-Y89 HydrophobicContact CB-CD1 4.12Å; C65-Y89 HydrophobicContact CB-CE1 4.03Å; F72-Y89 HydrophobicContact CD2-CE1 4.25Å; V77-Y89 HydrophobicContact CG2-CD1 3.85Å; V77-Y89 HydrophobicContact CG2-CD2 4.11Å; V77-Y89 HydrophobicContact CG2-CE1 3.8Å; V77-Y89 HydrophobicContact CG2-CE2 4.06Å; V77-Y89 HydrophobicContact CG2-CG 4.02Å; H80-Y89 AromaticContact ND1-CE1 3.59Å; H80-Y89 AromaticContact ND1-CZ 3.64Å; H80-Y89 PolarHBondContact ND1-OH 3.49Å; F81-Y89 PolarHBondContact N-OH 3.35Å; Q86-Y89 HydrophobicContact CG-CE2 4.46Å; Q86-Y89 WeakPolarHBondContact O-CE2 3.49Å; Q86-Y89 VanDerWaalsContact O-CZ 3.25Å; Q86-Y89 PolarHBondContact O-OH 3.2Å; Y89-V140 PolarHBondContact N-O 2.76Å; Y89-V140 PolarHBondContact O-N 3.46Å; Y89-F142 AromaticContact CD2-CD2 3.52Å; Y89-F142 HydrophobicContact CD2-CD2 3.52Å; Y89-F142 AromaticContact CD2-CE2 3.7Å; Y89-F142 HydrophobicContact CD2-CE2 3.7Å; Y89-F142 AromaticContact CE2-CD2 3.69Å; Y89-F142 HydrophobicContact CE2-CD2 3.69Å; Y89-F142 HydrophobicContact CE2-CE2 4.07Å; Y89-F142 HydrophobicContact CE2-CG 4.39Å; Y89-F142 HydrophobicContact CG-CE2 4.46Å
90	M	92.4	Very high	84.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.6	165.8	-174.6	172.1	67.2	0	0	109.6	Y63 V64 M66 L92 K138 L150 V167 L168	Y63-M90 CarbonylContact C-O 3.54Å; V64-M90 PolarHBondContact N-O 3.39Å; V64-M90 PolarHBondContact O-N 3.07Å; M66-M90 HydrophobicContact SD-CB 3.68Å; M90-L92 HydrophobicContact CE-CD1 4.16Å; M90-L92 HydrophobicContact CE-CD2 3.8Å; M90-L92 HydrophobicContact CE-CG 4.2Å; M90-L92 HydrophobicContact CG-CD2 4.02Å; M90-L92 HydrophobicContact CG-CG 4.5Å; M90-L92 HydrophobicContact SD-CD2 4.16Å; M90-K138 CarbonylContact C-O 3.03Å; M90-K138 WeakPolarHBondContact CA-O 3.15Å; M90-L150 HydrophobicContact SD-CD1 4.41Å; M90-V167 HydrophobicContact CE-CB 3.64Å; M90-V167 HydrophobicContact CE-CG1 3.16Å; M90-L168 HydrophobicContact CE-CD2 3.88Å; M90-L168 HydrophobicContact CE-CG 4.13Å; M90-L168 HydrophobicContact SD-CD2 4Å; M90-L168 HydrophobicContact SD-CG 4.01Å
91	H	94	Very high	82.8	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.06	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.4	174.7	-179.6	-117.8	0	0	0	110.5	G60 L62 Y63 A137 K138 V140	G60-H91 PolarHBondContact O-NE2 2.98Å; L62-H91 CarbonylContact O-C 3.54Å; L62-H91 WeakPolarHBondContact O-CA 3.42Å; Y63-H91 HydrophobicContact CD1-CB 3.98Å; Y63-H91 AromaticContact CD1-CD2 3.86Å; Y63-H91 AromaticContact CD2-CD2 3.88Å; Y63-H91 HydrophobicContact CE1-CB 3.93Å; Y63-H91 AromaticContact CE1-CD2 3.51Å; Y63-H91 AromaticContact CE1-CG 3.89Å; Y63-H91 AromaticContact CE2-CD2 3.52Å; Y63-H91 AromaticContact CE2-NE2 3.91Å; Y63-H91 AromaticContact CZ-CD2 3.33Å; Y63-H91 AromaticContact CZ-NE2 3.77Å; H91-A137 CarbonylContact O-C 3.45Å; H91-A137 WeakPolarHBondContact O-CA 3.18Å; H91-K138 HydrophobicContact CB-CB 4.32Å; H91-K138 PolarHBondContact N-O 3.02Å; H91-K138 PolarHBondContact O-N 2.84Å; H91-V140 HydrophobicContact CB-CG2 3.63Å
92	L	91.2	Very high	80.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.8	-178.9	-60.4	178.3	0	0	0	109.3	K46 P56 G61 L62 V64 M90 L118 A137 L168	K46-L92 HydrophobicContact CB-CD1 3.93Å; P56-L92 HydrophobicContact CB-CB 4.45Å; P56-L92 HydrophobicContact CG-CB 4.36Å; G61-L92 CarbonylContact C-O 3.23Å; G61-L92 VanDerWaalsContact CA-O 3.31Å; G61-L92 WeakPolarHBondContact CA-O 3.36Å; L62-L92 PolarHBondContact N-O 3.14Å; L62-L92 PolarHBondContact O-N 3.27Å; V64-L92 HydrophobicContact CG2-CD1 3.77Å; V64-L92 HydrophobicContact CG2-CG 4.39Å; M90-L92 HydrophobicContact CE-CD1 4.16Å; M90-L92 HydrophobicContact CE-CD2 3.8Å; M90-L92 HydrophobicContact CE-CG 4.2Å; M90-L92 HydrophobicContact CG-CD2 4.02Å; M90-L92 HydrophobicContact CG-CG 4.5Å; M90-L92 HydrophobicContact SD-CD2 4.16Å; L92-L118 HydrophobicContact CD1-CD2 3.84Å; L92-L118 HydrophobicContact CD2-CD1 4.2Å; L92-L118 HydrophobicContact CD2-CD2 4Å; L92-L118 HydrophobicContact CG-CD2 4.36Å; L92-A137 HydrophobicContact CD2-CB 3.85Å; L92-L168 HydrophobicContact CD2-CD2 3.73Å
93	K	90.1	Very high	78.1	Confident	50 Å²	50	59 Å²	59	22%	0.217	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.3	177.9	-173.6	167.6	179.4	168	0	110.6	P56 E59 E136	P56-K93 CarbonylContact O-C 3.49Å; P56-K93 WeakPolarHBondContact O-CA 3.45Å; E59-K93 WeakPolarHBondContact O-CE 3.27Å; E59-K93 PolarHBondContact O-NZ 3.13Å; K93-E136 PolarHBondContact N-O 2.98Å; K93-E136 PolarHBondContact O-N 3.4Å
94	R	85.6	Confident	75.6	Confident	13 Å²	13	60.7 Å²	60.7	5%	0.049	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.1	175.4	174.9	167.9	-74	178	-2.6	108.8	P56 N57 L118 Y133 D135	P56-R94 HydrophobicContact CB-CB 4.34Å; P56-R94 PolarHBondContact O-N 2.88Å; N57-R94 WeakPolarHBondContact OD1-CB 3.48Å; N57-R94 WeakPolarHBondContact OD1-CD 3.29Å; N57-R94 WeakPolarHBondContact OD1-CG 3.42Å; R94-L118 PolarHBondContact NH2-O 3.46Å; R94-L118 VanDerWaalsContact NH2-O 3.1Å; R94-Y133 HydrophobicContact CG-CD1 4.05Å; R94-D135 VanDerWaalsContact CB-OD1 3.31Å; R94-D135 WeakPolarHBondContact CB-OD1 3.23Å; R94-D135 VanDerWaalsContact CG-OD1 3.3Å; R94-D135 WeakPolarHBondContact CG-OD1 3.41Å; R94-D135 IonicContact CZ-OD1 3.04Å; R94-D135 IonicContact CZ-OD2 2.9Å; R94-D135 IonicContact NE-OD1 2.86Å; R94-D135 PolarHBondContact NE-OD1 2.85Å; R94-D135 IonicContact NE-OD2 2.87Å; R94-D135 IonicContact NH2-OD1 3.1Å; R94-D135 PolarHBondContact NH2-OD1 2.8Å; R94-D135 IonicContact NH2-OD2 3.34Å; R94-D135 PolarHBondContact NH2-OD2 2.84Å
95	H	81.8	Confident	73.2	Confident	62 Å²	62	62 Å²	62	29%	0.287	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.3	174.1	-58.8	-89.9	0	0	0	108.7	E134 E136	H95-E134 HydrophobicContact CB-CB 4.3Å; H95-E134 PolarHBondContact N-O 2.8Å; H95-E134 PolarHBondContact O-N 3.22Å; H95-E136 IonicContact CD2-OE2 3.57Å; H95-E136 IonicContact CE1-OE2 3.61Å; H95-E136 IonicContact NE2-OE2 3.92Å; H95-E136 PolarHBondContact NE2-OE2 3.31Å
96	V	75.8	Confident	70.7	Confident	70 Å²	70	63.7 Å²	63.7	42%	0.424	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.5	176.6	-171	0	0	0	0	108.3	Y131 Y133	V96-Y131 HydrophobicContact CG1-CD1 3.72Å; V96-Y131 HydrophobicContact CG1-CG 4.18Å; V96-Y133 HydrophobicContact CB-CD1 4.44Å; V96-Y133 HydrophobicContact CB-CE1 4.36Å; V96-Y133 HydrophobicContact CG1-CD1 4.25Å; V96-Y133 HydrophobicContact CG1-CE1 3.85Å; V96-Y133 HydrophobicContact CG2-CD1 3.85Å; V96-Y133 HydrophobicContact CG2-CE1 3.74Å
97	R	71.6	Confident	67.8	Low	148 Å²	148	67.3 Å²	67.3	56%	0.558	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.4	174.1	-63.2	-171.1	-170.6	-175.3	12.8	109.7	Y131 E132 E134	R97-Y131 CarbonylContact O-C 3.58Å; R97-Y131 WeakPolarHBondContact O-CA 3.48Å; R97-E132 HydrophobicContact CB-CB 4.44Å; R97-E132 PolarHBondContact N-O 3.4Å; R97-E132 PolarHBondContact O-N 2.9Å; R97-E134 IonicContact CZ-OE2 3.87Å; R97-E134 IonicContact NE-OE2 2.82Å; R97-E134 IonicContact NH2-OE2 3.01Å; R97-E134 PolarHBondContact NH2-OE2 3.35Å
98	E	64.1	Low	65	Low	106 Å²	106	74.9 Å²	74.9	50%	0.495	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.6	174	-166.8	177.4	178.6	0	0	110.3	V100 Y131	E98-V100 PolarHBondContact O-N 2.9Å; E98-Y131 HydrophobicContact CB-CD1 4.28Å; E98-Y131 HydrophobicContact CB-CE1 4.22Å; E98-Y131 HydrophobicContact CG-CD1 4.47Å; E98-Y131 HydrophobicContact CG-CE1 4.18Å
99	K	64.7	Low	62.1	Low	82 Å²	82	80.7 Å²	80.7	36%	0.357	49%	0.494	S	S	.	.			trans	-70.5	116.3	175.1	-72.4	-177.5	-164.4	153.7	0	109.2	R101 D129 D130 E132	K99-R101 PolarHBondContact O-N 3Å; K99-D129 WeakPolarHBondContact CD-O 3.4Å; K99-D129 WeakPolarHBondContact CE-O 3.31Å; K99-D129 PolarHBondContact NZ-O 2.69Å; K99-D130 PolarHBondContact N-O 3.31Å; K99-E132 HydrophobicContact CD-CG 4.33Å; K99-E132 HydrophobicContact CG-CG 3.8Å
100	V	54.2	Low	59.1	Low	135 Å²	135	90 Å²	90	82%	0.818	54%	0.535	S	S	*	.			trans	-64.7	104.1	173.3	-176	0	0	0	0	109.3	E98 G102	E98-V100 PolarHBondContact O-N 2.9Å; V100-G102 PolarHBondContact O-N 3.26Å
101	R	51.7	Low	56.3	Low	197 Å²	197	101.5 Å²	101.5	74%	0.743	58%	0.578	S	S	*	*			trans	-73.9	90.1	170	-73.6	-171.5	-175.8	-160	2.6	109.5	K99 D130	K99-R101 PolarHBondContact O-N 3Å; R101-D130 IonicContact CZ-OD1 3.44Å; R101-D130 IonicContact NE-OD1 3.36Å; R101-D130 PolarHBondContact NE-OD1 3.24Å; R101-D130 IonicContact NH2-OD1 2.74Å; R101-D130 PolarHBondContact NH2-OD1 3.21Å; R101-D130 IonicContact NH2-OD2 3.91Å
102	G	44.3	Very low	53.3	Low	60 Å²	60	111 Å²	111	62%	0.619	61%	0.613	S	S	*	*			trans	171.6	128	167.1	0	0	0	0	0	116.8	V100	V100-G102 PolarHBondContact O-N 3.26Å
103	A	40.4	Very low	50.4	Low	101 Å²	101	118.1 Å²	118.1	84%	0.835	65%	0.652	S	S	*	*			trans	79.7	72.4	167.3	0	0	0	0	0	118.2
104	S	38.3	Very low	47.8	Very low	118 Å²	118	119.9 Å²	119.9	83%	0.825	67%	0.67	S	S	*	*			trans	-156	110.1	137.4	-73.1	0	0	0	0	109.7
105	G	38.3	Very low	45.6	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	71%	0.706	S	S	*	*			trans	-61.8	142.5	166.3	0	0	0	0	0	110.6	A107	G105-A107 PolarHBondContact O-N 3.03Å
106	G	38.8	Very low	44	Very low	90 Å²	90	130.2 Å²	130.2	93%	0.928	72%	0.719	S	S	*	*	S	Bend	trans	43.4	65.7	155.7	0	0	0	0	0	116.8
107	A	30.4	Very low	42.8	Very low	85 Å²	85	131 Å²	131	70%	0.702	72%	0.716	S	S	*	*			trans	-141.1	125.9	156.4	0	0	0	0	0	109	G105	G105-A107 PolarHBondContact O-N 3.03Å
108	L	31.5	Very low	42	Very low	164 Å²	164	124 Å²	124	86%	0.859	69%	0.69	S	S	*	*			trans	-42.5	136.8	174.5	-77.3	140.3	0	0	0	110.8	K110	L108-K110 PolarHBondContact O-N 3.49Å
109	P	31.3	Very low	41.5	Very low	123 Å²	123	122 Å²	122	80%	0.799	68%	0.683	S	S	*	*			trans	-60.2	110.3	-179.5	23.2	-30.2	0	0	0	108.8	R111	P109-R111 PolarHBondContact O-N 2.91Å
110	K	29.8	Very low	41.1	Very low	196 Å²	196	118.7 Å²	118.7	85%	0.852	67%	0.669	S	S	*	*			trans	-61.5	111.7	166.4	-86.5	-177.7	-179.4	178.5	0	106.5	L108 R112	L108-K110 PolarHBondContact O-N 3.49Å; K110-R112 PolarHBondContact O-N 3.03Å
111	R	34.1	Very low	40.9	Very low	240 Å²	240	115 Å²	115	91%	0.906	64%	0.644	S	S	*	*			trans	-44.3	107	164.3	-81.2	-176.3	171.1	-176.8	-3.8	108.6	P109	P109-R111 PolarHBondContact O-N 2.91Å
112	R	30.9	Very low	40.5	Very low	213 Å²	213	109.7 Å²	109.7	80%	0.804	63%	0.634	S	S	*	*			trans	-96.9	117.2	167.6	-97.1	-177	170	177.5	-2.4	107	K110 S114	K110-R112 PolarHBondContact O-N 3.03Å; R112-S114 VanDerWaalsContact C-N 3.32Å; R112-S114 PolarHBondContact O-N 2.75Å
113	N	30.1	Very low	40.3	Very low	150 Å²	150	109.8 Å²	109.8	80%	0.802	62%	0.62	S	S	*	*			trans	-71.9	84	172.4	-63.4	-22.7	0	0	0	108.8	K115	N113-K115 PolarHBondContact O-N 3.13Å
114	S	35.5	Very low	40.1	Very low	86 Å²	86	112.5 Å²	112.5	60%	0.601	62%	0.621	S	S	*	*			trans	-80.1	100.5	157.2	43.6	0	0	0	0	106.9	R112 I116	R112-S114 VanDerWaalsContact C-N 3.32Å; R112-S114 PolarHBondContact O-N 2.75Å; S114-I116 VanDerWaalsContact C-N 3.29Å; S114-I116 PolarHBondContact O-N 3.26Å
115	K	40.8	Very low	40.1	Very low	186 Å²	186	112.5 Å²	112.5	81%	0.809	61%	0.612	S	S	*	*			trans	-70.5	90.8	171.7	-78.3	-175.8	176.5	-178	0	107.9	N113 F117	N113-K115 PolarHBondContact O-N 3.13Å; K115-F117 WeakPolarHBondContact O-CD1 3.5Å; K115-F117 PolarHBondContact O-N 3.29Å
116	I	47.1	Very low	40.1	Very low	107 Å²	107	112.2 Å²	112.2	55%	0.549	59%	0.591	S	S	.	*			trans	-66.6	105.4	161.6	-59.7	169.2	0	0	0	105.5	S114	S114-I116 VanDerWaalsContact C-N 3.29Å; S114-I116 PolarHBondContact O-N 3.26Å
117	F	52	Low	40.1	Very low	86 Å²	86	113.1 Å²	113.1	38%	0.377	58%	0.575	S	S	.	*			trans	-105.6	-12.8	177.9	60	-95	0	0	0	112.5	K115 D119 D135 A137 L168	K115-F117 WeakPolarHBondContact O-CD1 3.5Å; K115-F117 PolarHBondContact O-N 3.29Å; F117-D119 PolarHBondContact O-N 2.96Å; F117-D135 HydrophobicContact CE1-CB 4.04Å; F117-D135 WeakPolarHBondContact CE1-O 3.17Å; F117-D135 HydrophobicContact CZ-CB 4.05Å; F117-D135 WeakPolarHBondContact CZ-O 3.41Å; F117-A137 HydrophobicContact CE2-CB 3.83Å; F117-A137 HydrophobicContact CZ-CB 4.07Å; F117-L168 HydrophobicContact CD2-CD1 3.98Å; F117-L168 HydrophobicContact CD2-CD2 4.04Å; F117-L168 HydrophobicContact CD2-CG 4.47Å; F117-L168 HydrophobicContact CE2-CD1 4.11Å; F117-L168 HydrophobicContact CE2-CD2 3.95Å
118	L	54.8	Low	40.9	Very low	1 Å²	1	113.1 Å²	113.1	1%	0.005	57%	0.57	C	S	.	*			trans	-89.2	99.2	173.6	-95.4	156.3	0	0	0	107.6	L92 R94 L120 D135 L168	L92-L118 HydrophobicContact CD1-CD2 3.84Å; L92-L118 HydrophobicContact CD2-CD1 4.2Å; L92-L118 HydrophobicContact CD2-CD2 4Å; L92-L118 HydrophobicContact CG-CD2 4.36Å; R94-L118 PolarHBondContact NH2-O 3.46Å; R94-L118 VanDerWaalsContact NH2-O 3.1Å; L118-L120 HydrophobicContact CB-CD1 3.94Å; L118-L120 HydrophobicContact CB-CG 3.91Å; L118-L120 HydrophobicContact CD1-CD1 4.35Å; L118-L120 HydrophobicContact CD2-CD1 3.97Å; L118-L120 HydrophobicContact CD2-CD2 4.08Å; L118-L120 HydrophobicContact CD2-CG 3.88Å; L118-L120 HydrophobicContact CG-CD1 4.3Å; L118-L120 HydrophobicContact CG-CG 4.45Å; L118-L120 PolarHBondContact O-N 3.42Å; L118-D135 HydrophobicContact CB-CB 4.25Å; L118-D135 WeakPolarHBondContact CB-OD2 3.33Å; L118-D135 HydrophobicContact CD1-CB 3.69Å; L118-L168 HydrophobicContact CD2-CD2 4.13Å; L118-L168 HydrophobicContact CG-CD2 4.19Å
119	D	53.4	Low	41.7	Very low	64 Å²	64	111.3 Å²	111.3	34%	0.342	56%	0.561	S	S	.	*			trans	-67.5	69.4	165.5	-178.4	39.4	0	0	0	108.8	K46 F117 R175	K46-D119 WeakPolarHBondContact CE-O 3.21Å; K46-D119 PolarHBondContact NZ-O 3.19Å; K46-D119 VanDerWaalsContact NZ-O 3.07Å; F117-D119 PolarHBondContact O-N 2.96Å; D119-R175 IonicContact OD1-NH1 2.76Å; D119-R175 IonicContact OD2-NH1 2.98Å
120	L	54.8	Low	42.7	Very low	13 Å²	13	107 Å²	107	7%	0.068	53%	0.531	C	S	.	.			trans	-98.6	124.5	171.1	-64.3	171.3	0	0	0	105.9	K46 N47 P56 L118 T122	K46-L120 HydrophobicContact CG-CD2 4.2Å; K46-L120 WeakPolarHBondContact O-CD2 3.48Å; N47-L120 WeakPolarHBondContact OD1-CD2 3.2Å; P56-L120 HydrophobicContact CB-CD1 3.69Å; P56-L120 HydrophobicContact CG-CD1 3.69Å; P56-L120 HydrophobicContact CG-CD2 3.88Å; P56-L120 HydrophobicContact CG-CG 4.47Å; L118-L120 HydrophobicContact CB-CD1 3.94Å; L118-L120 HydrophobicContact CB-CG 3.91Å; L118-L120 HydrophobicContact CD1-CD1 4.35Å; L118-L120 HydrophobicContact CD2-CD1 3.97Å; L118-L120 HydrophobicContact CD2-CD2 4.08Å; L118-L120 HydrophobicContact CD2-CG 3.88Å; L118-L120 HydrophobicContact CG-CD1 4.3Å; L118-L120 HydrophobicContact CG-CG 4.45Å; L118-L120 PolarHBondContact O-N 3.42Å; L120-T122 PolarHBondContact O-N 3.32Å
121	D	51	Low	44.3	Very low	57 Å²	57	101 Å²	101	31%	0.305	50%	0.504	S	S	.	.			trans	-45.2	109.6	173.6	-53.8	-31.5	0	0	0	108.4	N47 D123 R427	N47-D121 PolarHBondContact ND2-OD2 3.46Å; D121-D123 PolarHBondContact O-N 3.21Å; D121-R427 IonicContact OD2-CZ 2.69Å; D121-R427 IonicContact OD2-NH1 2.63Å; D121-R427 PolarHBondContact OD2-NH1 3.15Å
122	T	42.9	Very low	46.2	Very low	85 Å²	85	94.4 Å²	94.4	52%	0.521	48%	0.483	S	S	.	.			trans	-62.6	131.4	169.9	27.3	0	0	0	0	107.2	L120 D124	L120-T122 PolarHBondContact O-N 3.32Å; T122-D124 PolarHBondContact O-N 3.35Å
123	D	40.3	Very low	48.3	Very low	62 Å²	62	86.3 Å²	86.3	33%	0.332	45%	0.453	S	S	.	.			trans	-60.7	108.9	170.2	-105.2	-29.3	0	0	0	106.9	D121 D125 L126 K339	D121-D123 PolarHBondContact O-N 3.21Å; D123-D125 PolarHBondContact O-N 3.19Å; D123-L126 PolarHBondContact O-N 3.18Å; D123-K339 IonicContact OD1-NZ 3.91Å; D123-K339 PolarHBondContact OD1-NZ 2.84Å; D123-K339 IonicContact OD2-NZ 3.32Å; D123-K339 PolarHBondContact OD2-NZ 2.88Å
124	D	37	Very low	50.7	Low	158 Å²	158	84 Å²	84	85%	0.845	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-10.8	178.1	-80.9	-25	0	0	0	113.1	T122	T122-D124 PolarHBondContact O-N 3.35Å
125	D	37.9	Very low	52.9	Low	119 Å²	119	80.9 Å²	80.9	64%	0.636	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.6	-179.1	-74.9	-32.7	0	0	0	114.4	D123	D123-D125 PolarHBondContact O-N 3.19Å
126	L	37.7	Very low	55	Low	71 Å²	71	74.9 Å²	74.9	37%	0.372	39%	0.389	S	S	.	.	S	Bend	trans	-104.7	118	176.8	-66.2	171.3	0	0	0	108.9	D123 S128 Y131	D123-L126 PolarHBondContact O-N 3.18Å; L126-S128 VanDerWaalsContact C-N 3.35Å; L126-S128 PolarHBondContact O-N 2.96Å; L126-Y131 HydrophobicContact CB-CD2 4.49Å; L126-Y131 HydrophobicContact CB-CE2 4.49Å; L126-Y131 HydrophobicContact CD2-CE2 4.12Å
127	N	39.8	Very low	56.9	Low	109 Å²	109	70 Å²	70	58%	0.583	36%	0.364	S	S	*	.			trans	-47.5	101.3	167.1	-88.9	-28.4	0	0	0	109.2	D129 D130	N127-D129 PolarHBondContact O-N 3.22Å; N127-D130 PolarHBondContact O-N 3.25Å
128	S	46.2	Very low	58.8	Low	86 Å²	86	67.8 Å²	67.8	60%	0.601	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-50.7	-24.4	-178	163.7	0	0	0	0	112.3	L126 D130	L126-S128 VanDerWaalsContact C-N 3.35Å; L126-S128 PolarHBondContact O-N 2.96Å; S128-D130 VanDerWaalsContact C-N 3.32Å; S128-D130 PolarHBondContact O-N 3.08Å
129	D	48.7	Very low	60.4	Low	125 Å²	125	67.7 Å²	67.7	67%	0.668	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-67	-23.6	179.7	-77.3	-24	0	0	0	115.2	K99 N127	K99-D129 WeakPolarHBondContact CD-O 3.4Å; K99-D129 WeakPolarHBondContact CE-O 3.31Å; K99-D129 PolarHBondContact NZ-O 2.69Å; N127-D129 PolarHBondContact O-N 3.22Å
130	D	52.3	Low	62.2	Low	32 Å²	32	64.7 Å²	64.7	17%	0.171	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-96.1	-11.8	-174.4	-75.2	-27.4	0	0	0	114.6	K99 R101 N127 S128	K99-D130 PolarHBondContact N-O 3.31Å; R101-D130 IonicContact CZ-OD1 3.44Å; R101-D130 IonicContact NE-OD1 3.36Å; R101-D130 PolarHBondContact NE-OD1 3.24Å; R101-D130 IonicContact NH2-OD1 2.74Å; R101-D130 PolarHBondContact NH2-OD1 3.21Å; R101-D130 IonicContact NH2-OD2 3.91Å; N127-D130 PolarHBondContact O-N 3.25Å; S128-D130 VanDerWaalsContact C-N 3.32Å; S128-D130 PolarHBondContact O-N 3.08Å
131	Y	64.1	Low	63.8	Low	72 Å²	72	64.5 Å²	64.5	28%	0.282	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	144	-176.2	-61	-84.2	0	0	0	112.7	V96 R97 E98 L126	V96-Y131 HydrophobicContact CG1-CD1 3.72Å; V96-Y131 HydrophobicContact CG1-CG 4.18Å; R97-Y131 CarbonylContact O-C 3.58Å; R97-Y131 WeakPolarHBondContact O-CA 3.48Å; E98-Y131 HydrophobicContact CB-CD1 4.28Å; E98-Y131 HydrophobicContact CB-CE1 4.22Å; E98-Y131 HydrophobicContact CG-CD1 4.47Å; E98-Y131 HydrophobicContact CG-CE1 4.18Å; L126-Y131 HydrophobicContact CB-CD2 4.49Å; L126-Y131 HydrophobicContact CB-CE2 4.49Å; L126-Y131 HydrophobicContact CD2-CE2 4.12Å
132	E	72.8	Confident	65.5	Low	100 Å²	100	62.1 Å²	62.1	47%	0.467	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.2	166.8	-76.4	-177.8	178.6	0	0	109.1	R97 K99	R97-E132 HydrophobicContact CB-CB 4.44Å; R97-E132 PolarHBondContact N-O 3.4Å; R97-E132 PolarHBondContact O-N 2.9Å; K99-E132 HydrophobicContact CD-CG 4.33Å; K99-E132 HydrophobicContact CG-CG 3.8Å
133	Y	75.4	Confident	67.4	Low	43 Å²	43	61.9 Å²	61.9	17%	0.169	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.1	177.8	-61.2	-81.3	0	0	0	110.3	R94 V96	R94-Y133 HydrophobicContact CG-CD1 4.05Å; V96-Y133 HydrophobicContact CB-CD1 4.44Å; V96-Y133 HydrophobicContact CB-CE1 4.36Å; V96-Y133 HydrophobicContact CG1-CD1 4.25Å; V96-Y133 HydrophobicContact CG1-CE1 3.85Å; V96-Y133 HydrophobicContact CG2-CD1 3.85Å; V96-Y133 HydrophobicContact CG2-CE1 3.74Å
134	E	79.3	Confident	69.4	Low	103 Å²	103	66 Å²	66	48%	0.481	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112	174.9	-178.7	175.1	-154.2	0	0	109.2	H95 R97	H95-E134 HydrophobicContact CB-CB 4.3Å; H95-E134 PolarHBondContact N-O 2.8Å; H95-E134 PolarHBondContact O-N 3.22Å; R97-E134 IonicContact CZ-OE2 3.87Å; R97-E134 IonicContact NE-OE2 2.82Å; R97-E134 IonicContact NH2-OE2 3.01Å; R97-E134 PolarHBondContact NH2-OE2 3.35Å
135	D	82.3	Confident	71.6	Confident	20 Å²	20	62.9 Å²	62.9	11%	0.107	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.8	-176.7	-77.3	-28.2	0	0	0	111.3	R94 F117 L118	R94-D135 VanDerWaalsContact CB-OD1 3.31Å; R94-D135 WeakPolarHBondContact CB-OD1 3.23Å; R94-D135 VanDerWaalsContact CG-OD1 3.3Å; R94-D135 WeakPolarHBondContact CG-OD1 3.41Å; R94-D135 IonicContact CZ-OD1 3.04Å; R94-D135 IonicContact CZ-OD2 2.9Å; R94-D135 IonicContact NE-OD1 2.86Å; R94-D135 PolarHBondContact NE-OD1 2.85Å; R94-D135 IonicContact NE-OD2 2.87Å; R94-D135 IonicContact NH2-OD1 3.1Å; R94-D135 PolarHBondContact NH2-OD1 2.8Å; R94-D135 IonicContact NH2-OD2 3.34Å; R94-D135 PolarHBondContact NH2-OD2 2.84Å; F117-D135 HydrophobicContact CE1-CB 4.04Å; F117-D135 WeakPolarHBondContact CE1-O 3.17Å; F117-D135 HydrophobicContact CZ-CB 4.05Å; F117-D135 WeakPolarHBondContact CZ-O 3.41Å; L118-D135 HydrophobicContact CB-CB 4.25Å; L118-D135 WeakPolarHBondContact CB-OD2 3.33Å; L118-D135 HydrophobicContact CD1-CB 3.69Å
136	E	85.8	Confident	73.8	Confident	60 Å²	60	60.7 Å²	60.7	28%	0.28	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.1	-179.1	-175	-179.8	-167.8	0	0	109.8	K93 H95 K138	K93-E136 PolarHBondContact N-O 2.98Å; K93-E136 PolarHBondContact O-N 3.4Å; H95-E136 IonicContact CD2-OE2 3.57Å; H95-E136 IonicContact CE1-OE2 3.61Å; H95-E136 IonicContact NE2-OE2 3.92Å; H95-E136 PolarHBondContact NE2-OE2 3.31Å; E136-K138 WeakPolarHBondContact OE1-CE 3.4Å; E136-K138 IonicContact OE1-NZ 3.28Å; E136-K138 PolarHBondContact OE1-NZ 3.02Å
137	A	87.3	Confident	76.1	Confident	4 Å²	4	62.1 Å²	62.1	3%	0.033	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.3	174.9	0	0	0	0	0	111.1	H91 L92 F117 L150 L168	H91-A137 CarbonylContact O-C 3.45Å; H91-A137 WeakPolarHBondContact O-CA 3.18Å; L92-A137 HydrophobicContact CD2-CB 3.85Å; F117-A137 HydrophobicContact CE2-CB 3.83Å; F117-A137 HydrophobicContact CZ-CB 4.07Å; A137-L150 HydrophobicContact CB-CD1 4.23Å; A137-L150 WeakPolarHBondContact O-CB 3.36Å; A137-L150 PolarHBondContact O-N 2.78Å; A137-L150 VanDerWaalsContact O-N 3.1Å; A137-L168 HydrophobicContact CB-CD2 4.28Å
138	K	90.3	Very high	78.2	Confident	39 Å²	39	57.5 Å²	57.5	17%	0.17	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.6	-178.7	-69.6	170.2	165.5	171.5	0	110.7	M90 H91 E136 V140 E147 I148	M90-K138 CarbonylContact C-O 3.03Å; M90-K138 WeakPolarHBondContact CA-O 3.15Å; H91-K138 HydrophobicContact CB-CB 4.32Å; H91-K138 PolarHBondContact N-O 3.02Å; H91-K138 PolarHBondContact O-N 2.84Å; E136-K138 WeakPolarHBondContact OE1-CE 3.4Å; E136-K138 IonicContact OE1-NZ 3.28Å; E136-K138 PolarHBondContact OE1-NZ 3.02Å; K138-V140 HydrophobicContact CB-CG2 4.49Å; K138-E147 WeakPolarHBondContact CD-OE2 3.45Å; K138-E147 WeakPolarHBondContact CE-OE2 3.45Å; K138-E147 IonicContact NZ-OE2 2.85Å; K138-E147 PolarHBondContact NZ-OE2 2.78Å; K138-I148 CarbonylContact C-O 3.46Å; K138-I148 WeakPolarHBondContact CA-O 3.49Å
139	L	89.2	Confident	79.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.7	165.5	-163.9	72	0	0	0	108.8	L28 M66 V88 E147 I148 V160	L28-L139 HydrophobicContact CD1-CD2 4.25Å; L28-L139 HydrophobicContact CD2-CD2 3.86Å; M66-L139 HydrophobicContact CG-CD1 4.08Å; V88-L139 HydrophobicContact CG1-CD1 3.64Å; V88-L139 HydrophobicContact CG1-CD2 4.18Å; V88-L139 HydrophobicContact CG1-CG 3.97Å; L139-E147 CarbonylContact O-C 3.49Å; L139-E147 WeakPolarHBondContact O-CA 3.33Å; L139-I148 HydrophobicContact CB-CB 4.25Å; L139-I148 HydrophobicContact CD2-CD1 4.4Å; L139-I148 PolarHBondContact N-O 3.37Å; L139-I148 PolarHBondContact O-N 3.15Å; L139-V160 HydrophobicContact CD2-CG1 3.94Å
140	V	90.7	Very high	81	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.8	-177.9	-174.8	0	0	0	0	109.6	Y63 Y89 H91 K138 F142 Y146 E147	Y63-V140 HydrophobicContact CE1-CB 4.35Å; Y63-V140 HydrophobicContact CE1-CG1 4.33Å; Y63-V140 HydrophobicContact CE1-CG2 4.15Å; Y89-V140 PolarHBondContact N-O 2.76Å; Y89-V140 PolarHBondContact O-N 3.46Å; H91-V140 HydrophobicContact CB-CG2 3.63Å; K138-V140 HydrophobicContact CB-CG2 4.49Å; V140-F142 HydrophobicContact CG1-CD2 4.38Å; V140-F142 HydrophobicContact CG1-CE2 3.98Å; V140-Y146 WeakPolarHBondContact CA-O 3.47Å; V140-E147 HydrophobicContact CG2-CG 4.23Å
141	I	88.8	Confident	81.3	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.046	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.6	-179.5	-49.6	173.5	0	0	0	109.9	L27 L28 S87 H145 Y146 I148	L27-I141 HydrophobicContact CD2-CD1 3.86Å; L27-I141 HydrophobicContact CG-CD1 4.1Å; L28-I141 HydrophobicContact CD2-CD1 3.53Å; L28-I141 HydrophobicContact CD2-CG1 4.25Å; L28-I141 HydrophobicContact CG-CD1 4.15Å; S87-I141 CarbonylContact O-C 3.56Å; S87-I141 WeakPolarHBondContact O-CA 3.03Å; I141-H145 VanDerWaalsContact O-CA 3.32Å; I141-H145 WeakPolarHBondContact O-CA 3.25Å; I141-H145 PolarHBondContact O-N 2.93Å; I141-Y146 HydrophobicContact CD1-CD1 4.49Å; I141-Y146 PolarHBondContact N-O 3.07Å; I141-Y146 PolarHBondContact O-N 3.21Å; I141-I148 HydrophobicContact CD1-CD1 4.23Å
142	F	87.6	Confident	81	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.026	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	151.7	174.8	-76.4	-102.8	0	0	0	111.5	Y63 V77 F81 S87 Y89 V140 H145	Y63-F142 HydrophobicContact CD1-CE2 4.48Å; V77-F142 HydrophobicContact CB-CZ 4.31Å; V77-F142 HydrophobicContact CG1-CE1 4.15Å; V77-F142 HydrophobicContact CG1-CE2 4.45Å; V77-F142 HydrophobicContact CG1-CZ 3.58Å; V77-F142 HydrophobicContact CG2-CE2 3.8Å; V77-F142 HydrophobicContact CG2-CZ 3.72Å; F81-F142 HydrophobicContact CD1-CB 4.4Å; F81-F142 HydrophobicContact CD1-CD1 4.5Å; F81-F142 HydrophobicContact CD2-CB 4Å; F81-F142 HydrophobicContact CE2-CB 4.09Å; F81-F142 HydrophobicContact CG-CB 4.13Å; F81-F142 HydrophobicContact CZ-CB 4.34Å; S87-F142 WeakPolarHBondContact CB-O 3.41Å; S87-F142 PolarHBondContact O-N 2.83Å; Y89-F142 AromaticContact CD2-CD2 3.52Å; Y89-F142 HydrophobicContact CD2-CD2 3.52Å; Y89-F142 AromaticContact CD2-CE2 3.7Å; Y89-F142 HydrophobicContact CD2-CE2 3.7Å; Y89-F142 AromaticContact CE2-CD2 3.69Å; Y89-F142 HydrophobicContact CE2-CD2 3.69Å; Y89-F142 HydrophobicContact CE2-CE2 4.07Å; Y89-F142 HydrophobicContact CE2-CG 4.39Å; Y89-F142 HydrophobicContact CG-CE2 4.46Å; V140-F142 HydrophobicContact CG1-CD2 4.38Å; V140-F142 HydrophobicContact CG1-CE2 3.98Å; F142-H145 AromaticContact CD1-CE1 3.82Å; F142-H145 AromaticContact CD1-NE2 3.86Å; F142-H145 AromaticContact CE1-CD2 3.68Å; F142-H145 AromaticContact CE1-CE1 3.57Å; F142-H145 AromaticContact CE1-NE2 3.14Å; F142-H145 WeakPolarHBondContact CE1-NE2 3.4Å; F142-H145 AromaticContact CZ-CD2 3.83Å; F142-H145 AromaticContact CZ-NE2 3.72Å
143	P	82.6	Confident	80.1	Confident	80 Å²	80	54.9 Å²	54.9	52%	0.519	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.7	-12.8	7.5	34.4	-35.9	0	0	0	115.1	F81 H145	F81-P143 HydrophobicContact CE1-CB 4.06Å; F81-P143 HydrophobicContact CZ-CB 4.1Å; P143-H145 PolarHBondContact O-CE1 3.28Å; P143-H145 PolarHBondContact O-N 2.99Å; P143-H145 PolarHBondContact O-ND1 3.16Å
144	D	81.6	Confident	79.1	Confident	148 Å²	148	62.3 Å²	62.3	79%	0.791	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-1.6	-172.6	-62.7	-39.3	0	0	0	114.2	Y146	D144-Y146 PolarHBondContact O-N 2.68Å
145	H	83.8	Confident	78.3	Confident	94 Å²	94	61 Å²	61	44%	0.435	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	40	-177.6	-61	70.2	0	0	0	112.6	I141 F142 P143 E147	I141-H145 VanDerWaalsContact O-CA 3.32Å; I141-H145 WeakPolarHBondContact O-CA 3.25Å; I141-H145 PolarHBondContact O-N 2.93Å; F142-H145 AromaticContact CD1-CE1 3.82Å; F142-H145 AromaticContact CD1-NE2 3.86Å; F142-H145 AromaticContact CE1-CD2 3.68Å; F142-H145 AromaticContact CE1-CE1 3.57Å; F142-H145 AromaticContact CE1-NE2 3.14Å; F142-H145 WeakPolarHBondContact CE1-NE2 3.4Å; F142-H145 AromaticContact CZ-CD2 3.83Å; F142-H145 AromaticContact CZ-NE2 3.72Å; P143-H145 PolarHBondContact O-CE1 3.28Å; P143-H145 PolarHBondContact O-N 2.99Å; P143-H145 PolarHBondContact O-ND1 3.16Å; H145-E147 PolarHBondContact O-N 3.12Å
146	Y	84.5	Confident	77.8	Confident	73 Å²	73	60.9 Å²	60.9	29%	0.286	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.1	179.4	-171.5	-97.1	0	0	0	110.1	M19 L27 V140 I141 D144 I148	M19-Y146 HydrophobicContact CE-CE2 4.47Å; L27-Y146 HydrophobicContact CD2-CD1 3.43Å; L27-Y146 VanDerWaalsContact CD2-CD1 3.43Å; L27-Y146 HydrophobicContact CD2-CE1 3.67Å; L27-Y146 HydrophobicContact CD2-CG 3.89Å; V140-Y146 WeakPolarHBondContact CA-O 3.47Å; I141-Y146 HydrophobicContact CD1-CD1 4.49Å; I141-Y146 PolarHBondContact N-O 3.07Å; I141-Y146 PolarHBondContact O-N 3.21Å; D144-Y146 PolarHBondContact O-N 2.68Å; Y146-I148 HydrophobicContact CD1-CD1 4.25Å; Y146-I148 HydrophobicContact CD1-CG1 3.87Å; Y146-I148 HydrophobicContact CE1-CD1 4.13Å; Y146-I148 HydrophobicContact CE1-CG1 3.63Å
147	E	85.4	Confident	77.6	Confident	100 Å²	100	59.7 Å²	59.7	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.1	-176.7	-58.1	-173.6	-177	0	0	111.8	K138 L139 V140 H145	K138-E147 WeakPolarHBondContact CD-OE2 3.45Å; K138-E147 WeakPolarHBondContact CE-OE2 3.45Å; K138-E147 IonicContact NZ-OE2 2.85Å; K138-E147 PolarHBondContact NZ-OE2 2.78Å; L139-E147 CarbonylContact O-C 3.49Å; L139-E147 WeakPolarHBondContact O-CA 3.33Å; V140-E147 HydrophobicContact CG2-CG 4.23Å; H145-E147 PolarHBondContact O-N 3.12Å
148	I	83.4	Confident	77.3	Confident	12 Å²	12	63 Å²	63	6%	0.062	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.5	172.6	-55.8	163.2	0	0	0	107.8	I24 L28 K138 L139 I141 Y146 L156	I24-I148 HydrophobicContact CG2-CD1 3.73Å; I24-I148 HydrophobicContact CG2-CG1 4.38Å; L28-I148 HydrophobicContact CD1-CD1 4.17Å; K138-I148 CarbonylContact C-O 3.46Å; K138-I148 WeakPolarHBondContact CA-O 3.49Å; L139-I148 HydrophobicContact CB-CB 4.25Å; L139-I148 HydrophobicContact CD2-CD1 4.4Å; L139-I148 PolarHBondContact N-O 3.37Å; L139-I148 PolarHBondContact O-N 3.15Å; I141-I148 HydrophobicContact CD1-CD1 4.23Å; Y146-I148 HydrophobicContact CD1-CD1 4.25Å; Y146-I148 HydrophobicContact CD1-CG1 3.87Å; Y146-I148 HydrophobicContact CE1-CD1 4.13Å; Y146-I148 HydrophobicContact CE1-CG1 3.63Å; I148-L156 HydrophobicContact CG2-CD2 4.32Å
149	A	79.8	Confident	77	Confident	58 Å²	58	65 Å²	65	48%	0.479	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.3	-179.3	0	0	0	0	0	112.2	N152	A149-N152 PolarHBondContact O-N 3.44Å
150	L	74.3	Confident	76.7	Confident	36 Å²	36	65 Å²	65	19%	0.188	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	138.8	169.6	-61.8	169.8	0	0	0	108.6	M90 A137 L156 C164	M90-L150 HydrophobicContact SD-CD1 4.41Å; A137-L150 HydrophobicContact CB-CD1 4.23Å; A137-L150 WeakPolarHBondContact O-CB 3.36Å; A137-L150 PolarHBondContact O-N 2.78Å; A137-L150 VanDerWaalsContact O-N 3.1Å; L150-L156 HydrophobicContact CD2-CD1 3.7Å; L150-C164 HydrophobicContact CD1-CB 4.11Å
151	P	58.1	Low	76.4	Confident	102 Å²	102	65.8 Å²	65.8	66%	0.662	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	cis	-108.2	68.8	18.1	39.6	-30.3	0	0	0	112.9	I153	P151-I153 HydrophobicContact CB-CD1 3.64Å; P151-I153 HydrophobicContact CB-CG1 3.87Å; P151-I153 PolarHBondContact O-N 2.79Å
152	N	57.7	Low	76.2	Confident	86 Å²	86	69.9 Å²	69.9	46%	0.46	38%	0.381	S	S	.	.			trans	-76	55.4	162.1	-99.1	22.3	0	0	0	110.6	A149 E154 E155	A149-N152 PolarHBondContact O-N 3.44Å; N152-E154 PolarHBondContact O-N 3.39Å; N152-E155 PolarHBondContact ND2-OE2 2.94Å; N152-E155 PolarHBondContact O-N 2.84Å
153	I	54.8	Low	76.2	Confident	79 Å²	79	69.6 Å²	69.6	41%	0.405	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.3	-171.5	-70.8	168.2	0	0	0	112.4	P151 E155 T161	P151-I153 HydrophobicContact CB-CD1 3.64Å; P151-I153 HydrophobicContact CB-CG1 3.87Å; P151-I153 PolarHBondContact O-N 2.79Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 2.85Å; I153-T161 HydrophobicContact CB-CG2 4.45Å; I153-T161 HydrophobicContact CG1-CG2 4.34Å; I153-T161 HydrophobicContact CG2-CG2 3.63Å
154	E	53.3	Low	76.4	Confident	198 Å²	198	65.9 Å²	65.9	93%	0.925	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.8	-178.9	-64.3	-174.1	172.4	0	0	113.9	N152	N152-E154 PolarHBondContact O-N 3.39Å
155	E	63.7	Low	76.5	Confident	77 Å²	77	62.6 Å²	62.6	36%	0.36	34%	0.338	S	S	.	.	S	Bend	trans	-106.5	-7.1	-175	-62.2	179.3	160.7	0	0	113.5	A21 N152 I153	A21-E155 HydrophobicContact CB-CB 4.3Å; A21-E155 HydrophobicContact CB-CG 4Å; N152-E155 PolarHBondContact ND2-OE2 2.94Å; N152-E155 PolarHBondContact O-N 2.84Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 2.85Å
156	L	72.2	Confident	76.7	Confident	16 Å²	16	59.1 Å²	59.1	8%	0.084	33%	0.326	C	S	.	.	S	Bend	trans	-98.7	146.5	-177.8	-70.6	171.6	0	0	0	111.9	I24 L28 I148 L150 A158	I24-L156 HydrophobicContact CG2-CD2 4.27Å; L28-L156 HydrophobicContact CD1-CD2 3.57Å; I148-L156 HydrophobicContact CG2-CD2 4.32Å; L150-L156 HydrophobicContact CD2-CD1 3.7Å; L156-A158 PolarHBondContact O-N 3.47Å
157	P	80	Confident	76.8	Confident	36 Å²	36	55.7 Å²	55.7	23%	0.234	31%	0.312	C	S	.	.			trans	-56.2	139	171.1	-23	32.8	0	0	0	111.4	M32 L159 V160 T161	M32-P157 HydrophobicContact SD-CB 4.1Å; M32-P157 HydrophobicContact SD-CG 4.23Å; P157-L159 PolarHBondContact O-N 2.84Å; P157-V160 HydrophobicContact CB-CG2 4.24Å; P157-V160 HydrophobicContact CG-CG2 4.37Å; P157-V160 WeakPolarHBondContact O-CB 3.36Å; P157-V160 PolarHBondContact O-N 2.94Å; P157-T161 PolarHBondContact O-N 3.07Å
158	A	81.1	Confident	76.7	Confident	72 Å²	72	51.8 Å²	51.8	60%	0.595	30%	0.295	S	S	*	.	H	α-helix	trans	-52.3	-36.9	-174.3	0	0	0	0	0	113.9	L156 V160 T161 I162	L156-A158 PolarHBondContact O-N 3.47Å; A158-V160 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 3.28Å; A158-T161 PolarHBondContact O-N 3.43Å; A158-I162 WeakPolarHBondContact O-CD1 3.43Å; A158-I162 WeakPolarHBondContact O-CG1 3.41Å; A158-I162 PolarHBondContact O-N 2.9Å
159	L	83.9	Confident	76.7	Confident	81 Å²	81	55.3 Å²	55.3	42%	0.424	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-41.8	176.4	-179.2	66.2	0	0	0	112.4	V37 P157 A163	V37-L159 HydrophobicContact CG2-CD1 3.87Å; P157-L159 PolarHBondContact O-N 2.84Å; L159-A163 WeakPolarHBondContact O-CB 3.47Å; L159-A163 PolarHBondContact O-N 2.98Å
160	V	83.6	Confident	76.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.9	-42.8	-178.5	-177.7	0	0	0	0	110	I35 L139 P157 A158 A163 C164	I35-V160 HydrophobicContact CD1-CG1 4.49Å; I35-V160 HydrophobicContact CD1-CG2 3.84Å; L139-V160 HydrophobicContact CD2-CG1 3.94Å; P157-V160 HydrophobicContact CB-CG2 4.24Å; P157-V160 HydrophobicContact CG-CG2 4.37Å; P157-V160 WeakPolarHBondContact O-CB 3.36Å; P157-V160 PolarHBondContact O-N 2.94Å; A158-V160 VanDerWaalsContact C-N 3.34Å; A158-V160 PolarHBondContact O-N 3.28Å; V160-A163 PolarHBondContact O-N 2.8Å; V160-C164 PolarHBondContact O-N 3.1Å; V160-C164 PolarHBondContact O-SG 2.84Å; V160-C164 VanDerWaalsContact O-SG 3.37Å
161	T	83.3	Confident	76.9	Confident	18 Å²	18	56.9 Å²	56.9	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-50	174.7	-54.9	0	0	0	0	111.3	I153 P157 A158 A163 C164 D165	I153-T161 HydrophobicContact CB-CG2 4.45Å; I153-T161 HydrophobicContact CG1-CG2 4.34Å; I153-T161 HydrophobicContact CG2-CG2 3.63Å; P157-T161 PolarHBondContact O-N 3.07Å; A158-T161 PolarHBondContact O-N 3.43Å; T161-A163 VanDerWaalsContact C-N 3.29Å; T161-A163 PolarHBondContact O-N 3.28Å; T161-C164 PolarHBondContact O-N 2.98Å; T161-D165 PolarHBondContact O-N 2.81Å
162	I	85.1	Confident	77.6	Confident	96 Å²	96	52.2 Å²	52.2	49%	0.492	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-41	178	-67	163.9	0	0	0	110.8	V37 A158 A166	V37-I162 HydrophobicContact CG1-CG2 3.9Å; V37-I162 HydrophobicContact CG2-CG2 4.13Å; A158-I162 WeakPolarHBondContact O-CD1 3.43Å; A158-I162 WeakPolarHBondContact O-CG1 3.41Å; A158-I162 PolarHBondContact O-N 2.9Å; I162-A166 WeakPolarHBondContact O-CB 3.48Å; I162-A166 PolarHBondContact O-N 3.44Å
163	A	87.3	Confident	78.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-48	177	0	0	0	0	0	111.7	I35 V37 M66 L159 V160 T161 A166 V167	I35-A163 HydrophobicContact CG2-CB 3.76Å; V37-A163 HydrophobicContact CG2-CB 3.97Å; M66-A163 HydrophobicContact CE-CB 3.73Å; L159-A163 WeakPolarHBondContact O-CB 3.47Å; L159-A163 PolarHBondContact O-N 2.98Å; V160-A163 PolarHBondContact O-N 2.8Å; T161-A163 VanDerWaalsContact C-N 3.29Å; T161-A163 PolarHBondContact O-N 3.28Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-V167 VanDerWaalsContact O-CG2 3.24Å; A163-V167 WeakPolarHBondContact O-CG2 3.49Å; A163-V167 PolarHBondContact O-N 2.94Å
164	C	86.6	Confident	78.8	Confident	1 Å²	1	49 Å²	49	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-47.8	178.5	-72	0	0	0	0	111.9	L150 V160 T161 A166 V167 L168	L150-C164 HydrophobicContact CD1-CB 4.11Å; V160-C164 PolarHBondContact O-N 3.1Å; V160-C164 PolarHBondContact O-SG 2.84Å; V160-C164 VanDerWaalsContact O-SG 3.37Å; T161-C164 PolarHBondContact O-N 2.98Å; C164-A166 VanDerWaalsContact C-N 3.32Å; C164-A166 PolarHBondContact O-N 3.23Å; C164-V167 PolarHBondContact O-N 3.49Å; C164-L168 WeakPolarHBondContact O-CG 3.33Å; C164-L168 PolarHBondContact O-N 3.21Å
165	D	85.3	Confident	79.1	Confident	80 Å²	80	44.7 Å²	44.7	43%	0.428	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-39.8	178.1	-70.9	-18.6	0	0	0	111.5	T161 L168 S169	T161-D165 PolarHBondContact O-N 2.81Å; D165-L168 PolarHBondContact O-N 3.47Å; D165-S169 VanDerWaalsContact O-CB 3.29Å; D165-S169 WeakPolarHBondContact O-CB 3.45Å; D165-S169 PolarHBondContact O-N 2.78Å; D165-S169 PolarHBondContact O-OG 2.83Å
166	A	86.8	Confident	78.4	Confident	21 Å²	21	47.3 Å²	47.3	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-39.1	176.3	0	0	0	0	0	112.5	V37 P38 I162 A163 C164 S169 S170	V37-A166 HydrophobicContact CG1-CB 3.92Å; P38-A166 HydrophobicContact CG-CB 4.2Å; I162-A166 WeakPolarHBondContact O-CB 3.48Å; I162-A166 PolarHBondContact O-N 3.44Å; A163-A166 PolarHBondContact O-N 3.48Å; C164-A166 VanDerWaalsContact C-N 3.32Å; C164-A166 PolarHBondContact O-N 3.23Å; A166-S169 WeakPolarHBondContact CA-OG 3.47Å; A166-S169 PolarHBondContact O-OG 3.43Å; A166-S170 WeakPolarHBondContact O-CB 3.31Å; A166-S170 PolarHBondContact O-N 3.19Å
167	V	86.4	Confident	76.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-42.2	176.2	-178.2	0	0	0	0	110.7	P38 V44 V64 M66 F69 M90 A163 C164 S170	P38-V167 HydrophobicContact CG-CB 4.43Å; P38-V167 HydrophobicContact CG-CG2 3.49Å; P38-V167 VanDerWaalsContact CG-CG2 3.49Å; V44-V167 HydrophobicContact CG1-CG1 3.65Å; V64-V167 HydrophobicContact CG1-CG1 3.98Å; M66-V167 HydrophobicContact CE-CG2 4.39Å; M66-V167 HydrophobicContact SD-CG2 4.31Å; F69-V167 HydrophobicContact CD1-CG2 4.24Å; F69-V167 HydrophobicContact CE1-CG2 4.4Å; M90-V167 HydrophobicContact CE-CB 3.64Å; M90-V167 HydrophobicContact CE-CG1 3.16Å; A163-V167 VanDerWaalsContact O-CG2 3.24Å; A163-V167 WeakPolarHBondContact O-CG2 3.49Å; A163-V167 PolarHBondContact O-N 2.94Å; C164-V167 PolarHBondContact O-N 3.49Å; V167-S170 PolarHBondContact O-N 3.18Å; V167-S170 PolarHBondContact O-OG 3.36Å
168	L	84.8	Confident	74.2	Confident	19 Å²	19	60 Å²	60	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-41.5	178.2	-69.2	172.4	0	0	0	112.5	K46 M90 L92 F117 L118 A137 C164 D165	K46-L168 PolarHBondContact NZ-O 3.1Å; M90-L168 HydrophobicContact CE-CD2 3.88Å; M90-L168 HydrophobicContact CE-CG 4.13Å; M90-L168 HydrophobicContact SD-CD2 4Å; M90-L168 HydrophobicContact SD-CG 4.01Å; L92-L168 HydrophobicContact CD2-CD2 3.73Å; F117-L168 HydrophobicContact CD2-CD1 3.98Å; F117-L168 HydrophobicContact CD2-CD2 4.04Å; F117-L168 HydrophobicContact CD2-CG 4.47Å; F117-L168 HydrophobicContact CE2-CD1 4.11Å; F117-L168 HydrophobicContact CE2-CD2 3.95Å; L118-L168 HydrophobicContact CD2-CD2 4.13Å; L118-L168 HydrophobicContact CG-CD2 4.19Å; A137-L168 HydrophobicContact CB-CD2 4.28Å; C164-L168 WeakPolarHBondContact O-CG 3.33Å; C164-L168 PolarHBondContact O-N 3.21Å; D165-L168 PolarHBondContact O-N 3.47Å
169	S	83.4	Confident	71.8	Confident	86 Å²	86	61.8 Å²	61.8	60%	0.601	32%	0.32	S	S	*	.	H	α-helix	trans	-80.7	-14.4	179.9	60.7	0	0	0	0	114.9	D165 A166 K171	D165-S169 VanDerWaalsContact O-CB 3.29Å; D165-S169 WeakPolarHBondContact O-CB 3.45Å; D165-S169 PolarHBondContact O-N 2.78Å; D165-S169 PolarHBondContact O-OG 2.83Å; A166-S169 WeakPolarHBondContact CA-OG 3.47Å; A166-S169 PolarHBondContact O-OG 3.43Å; S169-K171 PolarHBondContact O-N 3.47Å
170	S	81.6	Confident	69.1	Low	20 Å²	20	62.2 Å²	62.2	14%	0.14	32%	0.322	C	S	.	.	S	Bend	trans	-59.3	136.2	178.4	66.1	0	0	0	0	111.9	V44 K46 A166 V167	V44-S170 VanDerWaalsContact CB-OG 3.23Å; V44-S170 WeakPolarHBondContact CB-OG 3.27Å; V44-S170 WeakPolarHBondContact CG1-OG 3.15Å; K46-S170 VanDerWaalsContact CE-O 3.25Å; K46-S170 WeakPolarHBondContact CE-O 3.44Å; K46-S170 PolarHBondContact NZ-O 2.71Å; A166-S170 WeakPolarHBondContact O-CB 3.31Å; A166-S170 PolarHBondContact O-N 3.19Å; V167-S170 PolarHBondContact O-N 3.18Å; V167-S170 PolarHBondContact O-OG 3.36Å
171	K	76.6	Confident	66.5	Low	107 Å²	107	68.3 Å²	68.3	47%	0.465	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-71.3	151.7	175.8	-63.9	-165.5	179.6	-163.6	0	110.4	S169 D180	S169-K171 PolarHBondContact O-N 3.47Å; K171-D180 VanDerWaalsContact NZ-CG 3.33Å; K171-D180 IonicContact NZ-OD1 2.86Å; K171-D180 PolarHBondContact NZ-OD1 3.05Å; K171-D180 IonicContact NZ-OD2 2.76Å; K171-D180 PolarHBondContact NZ-OD2 2.85Å
172	S	72.1	Confident	64.2	Low	4 Å²	4	78.1 Å²	78.1	3%	0.028	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-54	136	173.5	174.9	0	0	0	0	110.9	N47 Y174 R175	N47-S172 PolarHBondContact ND2-OG 3.23Å; S172-Y174 PolarHBondContact O-N 2.7Å; S172-Y174 PolarHBondContact OG-N 3.12Å; S172-R175 PolarHBondContact O-N 2.83Å; S172-R175 VanDerWaalsContact O-N 3.1Å
173	P	71.8	Confident	61.7	Low	41 Å²	41	83 Å²	83	27%	0.266	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.9	178.5	-22	33.4	0	0	0	113.6	R43 V44 Y45	R43-P173 HydrophobicContact CB-CB 4.27Å; R43-P173 HydrophobicContact CB-CG 4.36Å; R43-P173 HydrophobicContact CG-CB 4.43Å; V44-P173 WeakPolarHBondContact O-CD 3.36Å; V44-P173 WeakPolarHBondContact O-CG 3.34Å; Y45-P173 HydrophobicContact CD1-CG 4.12Å; Y45-P173 HydrophobicContact CE1-CB 4.4Å; Y45-P173 HydrophobicContact CE1-CG 4.25Å; Y45-P173 HydrophobicContact CG-CG 4.31Å
174	Y	66.9	Low	59.3	Low	55 Å²	55	88.9 Å²	88.9	22%	0.216	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-12.9	-176.5	-50.2	-66.1	0	0	0	113.2	Y45 S172 K176 R427 M428 A431	Y45-Y174 WeakPolarHBondContact CE1-OH 3.26Å; S172-Y174 PolarHBondContact O-N 2.7Å; S172-Y174 PolarHBondContact OG-N 3.12Å; Y174-K176 PolarHBondContact O-N 3.24Å; Y174-R427 HydrophobicContact CD1-CB 4.45Å; Y174-R427 HydrophobicContact CE1-CB 4.45Å; Y174-M428 WeakPolarHBondContact OH-CB 3.39Å; Y174-M428 VanDerWaalsContact OH-CE 3.29Å; Y174-M428 WeakPolarHBondContact OH-CE 3.35Å; Y174-A431 HydrophobicContact CD1-CB 4.43Å; Y174-A431 HydrophobicContact CE1-CB 4.25Å
175	R	58.4	Low	57.3	Low	108 Å²	108	98.3 Å²	98.3	41%	0.408	49%	0.491	S	S	.	.			trans	-80.9	101.6	176.3	-160.7	169.2	-176.7	171.1	2.9	107.1	D119 S172	D119-R175 IonicContact OD1-NH1 2.76Å; D119-R175 IonicContact OD2-NH1 2.98Å; S172-R175 PolarHBondContact O-N 2.83Å; S172-R175 VanDerWaalsContact O-N 3.1Å
176	K	49.1	Very low	56.2	Low	132 Å²	132	97.7 Å²	97.7	57%	0.574	49%	0.488	S	S	*	.			trans	-56.2	148.4	164.8	-74.9	-176	179.4	177.7	0	107.3	Y174 D178 S441	Y174-K176 PolarHBondContact O-N 3.24Å; K176-D178 PolarHBondContact O-N 2.86Å; K176-S441 PolarHBondContact NZ-O 3.35Å
177	Q	32.4	Very low	55.6	Low	197 Å²	197	99.8 Å²	99.8	92%	0.921	50%	0.499	S	S	*	.			trans	-64.4	74.4	177.2	-75	-179	-17.2	0	0	109.9
178	D	30.8	Very low	55.4	Low	123 Å²	123	103.6 Å²	103.6	66%	0.658	52%	0.523	S	S	*	.			trans	-78.6	130.1	157.1	-75.5	-43.7	0	0	0	106.5	K176 D180	K176-D178 PolarHBondContact O-N 2.86Å; D178-D180 PolarHBondContact O-N 3.1Å
179	P	31.2	Very low	55.4	Low	109 Å²	109	102.9 Å²	102.9	71%	0.708	52%	0.519	S	S	*	.			trans	-58	128.8	178.2	20.9	-29.2	0	0	0	109.2	T181	P179-T181 PolarHBondContact O-N 2.9Å
180	D	27.6	Very low	55.5	Low	89 Å²	89	106.4 Å²	106.4	48%	0.476	52%	0.523	S	S	.	.			trans	-46.9	105.8	-174.6	-69.8	-42.4	0	0	0	110.7	K171 D178 W182	K171-D180 VanDerWaalsContact NZ-CG 3.33Å; K171-D180 IonicContact NZ-OD1 2.86Å; K171-D180 PolarHBondContact NZ-OD1 3.05Å; K171-D180 IonicContact NZ-OD2 2.76Å; K171-D180 PolarHBondContact NZ-OD2 2.85Å; D178-D180 PolarHBondContact O-N 3.1Å; D180-W182 PolarHBondContact O-N 3.35Å; D180-W182 VanDerWaalsContact O-N 3.1Å
181	T	28.6	Very low	55.7	Low	128 Å²	128	109.4 Å²	109.4	79%	0.785	53%	0.532	S	S	*	.			trans	-70.4	100.9	168.8	14.3	0	0	0	0	107.4	P179 E183	P179-T181 PolarHBondContact O-N 2.9Å; T181-E183 PolarHBondContact O-N 3.1Å
182	W	36.4	Very low	56	Low	224 Å²	224	104.3 Å²	104.3	85%	0.848	51%	0.51	S	S	*	.			trans	-63.3	117.2	168.1	-70.6	-32.5	0	0	0	109.2	D180 N184	D180-W182 PolarHBondContact O-N 3.35Å; D180-W182 VanDerWaalsContact O-N 3.1Å; W182-N184 PolarHBondContact O-N 3.3Å
183	E	30.8	Very low	56.4	Low	199 Å²	199	109.2 Å²	109.2	93%	0.93	54%	0.536	S	S	*	.			trans	-66.3	79.4	167.5	-71.9	178	167.7	0	0	109.7	T181	T181-E183 PolarHBondContact O-N 3.1Å
184	N	37.6	Very low	56.9	Low	123 Å²	123	113.8 Å²	113.8	66%	0.658	56%	0.559	S	S	*	*			trans	-92.6	136.7	155.5	-77.2	-31.3	0	0	0	107.2	W182 L186	W182-N184 PolarHBondContact O-N 3.3Å; N184-L186 PolarHBondContact O-N 2.68Å
185	E	45.5	Very low	57.8	Low	199 Å²	199	112.3 Å²	112.3	93%	0.93	55%	0.554	S	S	*	*			trans	-50.9	111.8	168.5	-68.8	178.2	171.5	0	0	108.9
186	L	61.8	Low	59	Low	68 Å²	68	112 Å²	112	36%	0.356	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-67.9	129.5	-173.5	-69.1	177.9	0	0	0	110.1	N184 P278 L280	N184-L186 PolarHBondContact O-N 2.68Å; L186-P278 HydrophobicContact CD2-CB 3.65Å; L186-P278 HydrophobicContact CD2-CG 3.52Å; L186-L280 HydrophobicContact CB-CD1 4.23Å; L186-L280 HydrophobicContact CB-CD2 4.16Å; L186-L280 HydrophobicContact CB-CG 3.73Å; L186-L280 HydrophobicContact CD1-CD2 4.13Å; L186-L280 WeakPolarHBondContact O-CD1 3.44Å
187	P	73.7	Confident	60.9	Low	65 Å²	65	108 Å²	108	42%	0.422	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-69.8	143.3	176.4	28.1	-32.8	0	0	0	111	S189 V279 L280	P187-S189 PolarHBondContact O-N 3.15Å; P187-V279 CarbonylContact O-C 3.56Å; P187-V279 VanDerWaalsContact O-CA 3.3Å; P187-V279 WeakPolarHBondContact O-CA 3.18Å; P187-L280 PolarHBondContact O-N 3.2Å
188	V	82.3	Confident	63.5	Low	80 Å²	80	102 Å²	102	49%	0.485	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-66.4	130.7	171.2	173.9	0	0	0	0	109.6	L280 P282	V188-L280 WeakPolarHBondContact CA-O 3.26Å; V188-L280 HydrophobicContact CG2-CB 4.22Å; V188-P282 HydrophobicContact CG1-CG 3.69Å; V188-P282 HydrophobicContact CG2-CG 4.38Å
189	S	83.9	Confident	65.6	Low	3 Å²	3	101.9 Å²	101.9	2%	0.021	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-65.2	139.5	-178.7	-175.2	0	0	0	0	112.3	P187 Y191 A192 E275 L280	P187-S189 PolarHBondContact O-N 3.15Å; S189-Y191 PolarHBondContact O-N 2.91Å; S189-Y191 PolarHBondContact OG-N 2.85Å; S189-Y191 VanDerWaalsContact OG-N 3.15Å; S189-A192 PolarHBondContact O-N 3.1Å; S189-E275 PolarHBondContact OG-OE2 2.86Å; S189-L280 PolarHBondContact N-O 3.45Å
190	K	85.7	Confident	67.8	Low	160 Å²	160	100.3 Å²	100.3	70%	0.696	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.7	171	-66.3	167.9	-170.4	162.4	0	113.2	E275	K190-E275 WeakPolarHBondContact CD-OE1 3.47Å; K190-E275 WeakPolarHBondContact CG-OE1 3.37Å; K190-E275 PolarHBondContact N-OE1 2.87Å
191	Y	85.6	Confident	69.9	Low	83 Å²	83	98.9 Å²	98.9	33%	0.325	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-14.4	-174.6	-60.6	-79.1	0	0	0	113.5	S189 N193 N194 L195 P255 Q274 E275	S189-Y191 PolarHBondContact O-N 2.91Å; S189-Y191 PolarHBondContact OG-N 2.85Å; S189-Y191 VanDerWaalsContact OG-N 3.15Å; Y191-N193 VanDerWaalsContact C-N 3.3Å; Y191-N193 PolarHBondContact O-N 3.02Å; Y191-N194 CarbonylContact O-C 3.55Å; Y191-N194 PolarHBondContact O-N 2.86Å; Y191-L195 WeakPolarHBondContact O-CB 3.45Å; Y191-L195 PolarHBondContact O-N 2.64Å; Y191-P255 HydrophobicContact CD1-CB 4.34Å; Y191-P255 HydrophobicContact CD1-CG 4.01Å; Y191-P255 HydrophobicContact CD2-CB 4.15Å; Y191-P255 HydrophobicContact CG-CB 4.01Å; Y191-P255 HydrophobicContact CG-CG 3.88Å; Y191-Q274 HydrophobicContact CE2-CB 3.85Å; Y191-Q274 HydrophobicContact CE2-CG 3.62Å; Y191-Q274 VanDerWaalsContact OH-CG 3.24Å; Y191-Q274 WeakPolarHBondContact OH-CG 3.28Å; Y191-E275 HydrophobicContact CE2-CG 4.29Å
192	A	83	Confident	72.3	Confident	1 Å²	1	95.2 Å²	95.2	1%	0.008	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-57.5	-39.5	-177.8	0	0	0	0	0	113.1	S189 D281 H287	S189-A192 PolarHBondContact O-N 3.1Å; A192-D281 HydrophobicContact CB-CB 4.33Å; A192-D281 WeakPolarHBondContact CB-OD1 3.24Å; A192-H287 PolarHBondContact O-CE1 2.89Å; A192-H287 VanDerWaalsContact O-CE1 3.26Å
193	N	80.9	Confident	74.3	Confident	106 Å²	106	91.5 Å²	91.5	57%	0.567	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-78.6	-23.6	-177.6	-67.5	-23	0	0	0	114.2	Y191 H283	Y191-N193 VanDerWaalsContact C-N 3.3Å; Y191-N193 PolarHBondContact O-N 3.02Å; N193-H283 PolarHBondContact OD1-CE1 3.47Å; N193-H283 PolarHBondContact OD1-ND1 3.21Å
194	N	82.4	Confident	76.7	Confident	138 Å²	138	82.9 Å²	82.9	74%	0.738	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-118.8	18.8	-172.8	-64.7	-37.4	0	0	0	112	Y191 T196	Y191-N194 CarbonylContact O-C 3.55Å; Y191-N194 PolarHBondContact O-N 2.86Å; N194-T196 PolarHBondContact O-N 2.86Å
195	L	85.8	Confident	78.4	Confident	23 Å²	23	80.4 Å²	80.4	12%	0.12	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-69	116.8	-177.9	-169.1	71.7	0	0	0	109.7	Y191 Q197 L224 P255 L256	Y191-L195 WeakPolarHBondContact O-CB 3.45Å; Y191-L195 PolarHBondContact O-N 2.64Å; L195-Q197 HydrophobicContact CD2-CG 4.5Å; L195-L224 HydrophobicContact CD2-CB 3.53Å; L195-L224 HydrophobicContact CD2-CD1 4.42Å; L195-P255 HydrophobicContact CD1-CG 4.16Å; L195-L256 HydrophobicContact CD1-CB 4.32Å; L195-L256 HydrophobicContact CD1-CD1 4.1Å; L195-L256 HydrophobicContact CD1-CG 4.27Å; L195-L256 HydrophobicContact CD2-CD1 4.27Å
196	T	84.1	Confident	79.4	Confident	103 Å²	103	75.4 Å²	75.4	63%	0.632	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-84.2	120.8	171.9	53.1	0	0	0	0	109.2	N194 T225	N194-T196 PolarHBondContact O-N 2.86Å; T196-T225 WeakPolarHBondContact O-CG2 3.4Å; T196-T225 PolarHBondContact O-OG1 2.71Å
197	Q	88.6	Confident	79.8	Confident	46 Å²	46	73.2 Å²	73.2	22%	0.215	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-99.6	133.9	173.1	-54.5	-167.6	-82.5	0	0	110	L195 L224 T225 H287 H290 F291	L195-Q197 HydrophobicContact CD2-CG 4.5Å; Q197-L224 WeakPolarHBondContact CG-O 3.41Å; Q197-L224 PolarHBondContact NE2-O 3.15Å; Q197-T225 CarbonylContact C-O 3.6Å; Q197-T225 WeakPolarHBondContact CA-O 3.42Å; Q197-H287 PolarHBondContact NE2-O 3.12Å; Q197-H290 VanDerWaalsContact OE1-CB 3.27Å; Q197-F291 VanDerWaalsContact NE2-CE2 3.34Å
198	L	87.4	Confident	79.7	Confident	72 Å²	72	71.7 Å²	71.7	38%	0.377	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-83	132.6	179.2	-60	179.8	0	0	0	110.1	N200 T225 D226 Y254 H290	L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 3.34Å; L198-N200 VanDerWaalsContact O-N 3.09Å; L198-T225 HydrophobicContact CD1-CG2 4.42Å; L198-T225 HydrophobicContact CG-CG2 4.13Å; L198-T225 PolarHBondContact N-O 3.03Å; L198-D226 HydrophobicContact CD1-CB 4.08Å; L198-Y254 HydrophobicContact CD1-CE2 4.37Å; L198-H290 PolarHBondContact O-NE2 2.82Å
199	D	75.4	Confident	79.8	Confident	120 Å²	120	70.6 Å²	70.6	64%	0.642	39%	0.386	S	S	*	.			trans	-81.7	78	170.3	-98.2	-46.1	0	0	0	109.7	H290 R528	D199-H290 IonicContact OD1-CE1 3.82Å; D199-H290 PolarHBondContact OD1-CE1 2.83Å; D199-R528 IonicContact OD1-NH1 3.72Å; D199-R528 IonicContact OD1-NH2 3.61Å
200	N	77.3	Confident	79.9	Confident	76 Å²	76	74.9 Å²	74.9	41%	0.406	40%	0.404	S	S	.	.			trans	-102.6	3.8	178.7	63.6	-3.3	0	0	0	113.9	L198 V202 D226	L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 3.34Å; L198-N200 VanDerWaalsContact O-N 3.09Å; N200-V202 HydrophobicContact CB-CG2 4.42Å; N200-V202 VanDerWaalsContact CG-CG2 3.47Å; N200-V202 WeakPolarHBondContact ND2-CG2 3.37Å; N200-V202 PolarHBondContact O-N 3.05Å; N200-V202 WeakPolarHBondContact OD1-CB 3.26Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.23Å; N200-V202 PolarHBondContact OD1-N 3.17Å; N200-D226 PolarHBondContact ND2-O 2.81Å
201	G	70.9	Confident	80.1	Confident	59 Å²	59	67.6 Å²	67.6	61%	0.608	37%	0.373	S	S	*	.			trans	72.9	10	178.4	0	0	0	0	0	114.8
202	V	79.1	Confident	80.2	Confident	52 Å²	52	67.5 Å²	67.5	32%	0.315	39%	0.389	S	S	.	.			trans	-71.8	128.8	179.2	175.5	0	0	0	0	110.4	N200 I204	N200-V202 HydrophobicContact CB-CG2 4.42Å; N200-V202 VanDerWaalsContact CG-CG2 3.47Å; N200-V202 WeakPolarHBondContact ND2-CG2 3.37Å; N200-V202 PolarHBondContact O-N 3.05Å; N200-V202 WeakPolarHBondContact OD1-CB 3.26Å; N200-V202 WeakPolarHBondContact OD1-CG2 3.23Å; N200-V202 PolarHBondContact OD1-N 3.17Å; V202-I204 HydrophobicContact CG1-CD1 3.78Å; V202-I204 HydrophobicContact CG1-CG1 4.44Å
203	R	78.6	Confident	80.4	Confident	146 Å²	146	72.6 Å²	72.6	55%	0.551	41%	0.408	S	S	*	.			trans	-116.4	126.8	172.7	-75.5	-72.5	-173.2	-122.9	7.4	109	H290 F291	R203-H290 PolarHBondContact NH1-O 2.94Å; R203-F291 WeakPolarHBondContact CA-O 3.35Å
204	I	80.6	Confident	80.6	Confident	18 Å²	18	68.7 Å²	68.7	9%	0.092	39%	0.389	C	S	.	.			trans	-95.7	122.9	-178.5	-57.8	-62	0	0	0	108.8	V202 L222 G227 V229 F291 I293	V202-I204 HydrophobicContact CG1-CD1 3.78Å; V202-I204 HydrophobicContact CG1-CG1 4.44Å; I204-L222 HydrophobicContact CD1-CD1 3.75Å; I204-L222 HydrophobicContact CG1-CD1 3.74Å; I204-L222 HydrophobicContact CG1-CD2 4.23Å; I204-G227 WeakPolarHBondContact CD1-O 3.48Å; I204-V229 HydrophobicContact CD1-CG2 3.84Å; I204-F291 HydrophobicContact CG1-CB 4Å; I204-F291 PolarHBondContact N-O 3.02Å; I204-F291 VanDerWaalsContact N-O 3.12Å; I204-I293 HydrophobicContact CB-CD1 3.89Å; I204-I293 HydrophobicContact CB-CG1 4.26Å; I204-I293 HydrophobicContact CG2-CD1 3.88Å
205	P	73.9	Confident	80.7	Confident	70 Å²	70	68.1 Å²	68.1	46%	0.455	39%	0.386	S	S	.	.			trans	-65.6	158	174.8	28.4	-34	0	0	0	110.4	S207 W209	P205-S207 PolarHBondContact O-N 3.3Å; P205-W209 PolarHBondContact O-NE1 3.23Å
206	P	67.3	Low	80.5	Confident	94 Å²	94	69.8 Å²	69.8	61%	0.61	40%	0.395	S	S	*	.	S	Bend	trans	-72.6	-10.8	-178.8	28.6	-35.3	0	0	0	114.4	W209	P206-W209 VanDerWaalsContact O-CH2 3.25Å; P206-W209 WeakPolarHBondContact O-CH2 3.47Å; P206-W209 WeakPolarHBondContact O-CZ2 3.42Å
207	S	70.1	Confident	80.2	Confident	22 Å²	22	72.2 Å²	72.2	15%	0.154	39%	0.392	C	S	.	.	S	Bend	trans	-161.8	177.4	179.7	62.1	0	0	0	0	111	P205 S821	P205-S207 PolarHBondContact O-N 3.3Å; S207-S821 VanDerWaalsContact OG-CB 3.31Å; S207-S821 WeakPolarHBondContact OG-CB 3.46Å; S207-S821 PolarHBondContact OG-OG 3Å
208	G	71.4	Confident	79.4	Confident	34 Å²	34	77.3 Å²	77.3	35%	0.351	42%	0.416	S	S	.	.			trans	79.4	17.9	173.2	0	0	0	0	0	115.5
209	W	83.7	Confident	79.1	Confident	56 Å²	56	76.1 Å²	76.1	21%	0.212	41%	0.41	C	S	.	.			trans	-62.9	152.1	-175.4	-48.1	-69.1	0	0	0	113.3	P205 P206 L220 V229 L260	P205-W209 PolarHBondContact O-NE1 3.23Å; P206-W209 VanDerWaalsContact O-CH2 3.25Å; P206-W209 WeakPolarHBondContact O-CH2 3.47Å; P206-W209 WeakPolarHBondContact O-CZ2 3.42Å; W209-L220 VanDerWaalsContact C-CD1 3.49Å; W209-L220 HydrophobicContact CB-CD1 3.51Å; W209-L220 WeakPolarHBondContact O-CD1 3.38Å; W209-V229 HydrophobicContact CB-CG1 4.22Å; W209-L260 HydrophobicContact CB-CD1 4.07Å; W209-L260 HydrophobicContact CD2-CB 4Å; W209-L260 HydrophobicContact CD2-CD1 3.84Å; W209-L260 HydrophobicContact CD2-CD2 4.41Å; W209-L260 HydrophobicContact CD2-CG 4.32Å; W209-L260 HydrophobicContact CE3-CB 3.75Å; W209-L260 HydrophobicContact CE3-CD1 4.39Å; W209-L260 HydrophobicContact CG-CD1 3.68Å; W209-L260 HydrophobicContact CH2-CB 4.31Å; W209-L260 HydrophobicContact CZ2-CD2 4.12Å; W209-L260 HydrophobicContact CZ3-CB 3.92Å
210	K	86.7	Confident	79.7	Confident	94 Å²	94	70.6 Å²	70.6	41%	0.409	38%	0.38	S	S	.	.			trans	-139.1	144.2	175.6	-173.5	-172.9	177.9	-172.6	0	108.2	A212 C214 D215	K210-A212 PolarHBondContact O-N 3Å; K210-C214 WeakPolarHBondContact CE-O 3.49Å; K210-D215 WeakPolarHBondContact CE-OD1 3.39Å; K210-D215 IonicContact NZ-OD1 3.66Å; K210-D215 PolarHBondContact NZ-OD1 3.07Å
211	C	88.3	Confident	80.3	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.041	37%	0.368	C	S	.	.			trans	-59	134.7	173	-179.8	0	0	0	0	110.8	R213 C214 L216 L220 C231	C211-R213 PolarHBondContact O-N 3.02Å; C211-R213 PolarHBondContact SG-N 3.28Å; C211-R213 VanDerWaalsContact SG-N 3.43Å; C211-C214 VanDerWaalsContact SG-SG 3.6Å; C211-L216 HydrophobicContact CB-CB 4.49Å; C211-L216 PolarHBondContact N-O 2.84Å; C211-L220 HydrophobicContact CB-CD2 3.82Å; C211-C231 HydrophobicContact CB-CB 4.2Å; C211-C231 PolarHBondContact SG-N 3.41Å; C211-C231 VanDerWaalsContact SG-N 3.38Å
212	A	88	Confident	81.3	Confident	81 Å²	81	66 Å²	66	67%	0.669	34%	0.339	S	S	*	.	S	Bend	trans	-68.4	-18.5	178.3	0	0	0	0	0	113.9	K210 V229 L230	K210-A212 PolarHBondContact O-N 3Å; A212-V229 PolarHBondContact N-O 3.18Å; A212-L230 HydrophobicContact CB-CD2 3.96Å
213	R	86.9	Confident	82	Confident	108 Å²	108	63.8 Å²	63.8	41%	0.408	33%	0.325	S	S	.	.	S	Bend	trans	-106.8	-17	-179.2	-67.9	-171.6	-175.8	-171.4	-1.2	114.2	C211 L230 H244 E247 D251	C211-R213 PolarHBondContact O-N 3.02Å; C211-R213 PolarHBondContact SG-N 3.28Å; C211-R213 VanDerWaalsContact SG-N 3.43Å; R213-L230 HydrophobicContact CB-CD2 4.49Å; R213-L230 HydrophobicContact CG-CD2 3.97Å; R213-H244 HydrophobicContact CB-CB 4.33Å; R213-E247 IonicContact NH1-OE2 2.82Å; R213-E247 PolarHBondContact NH1-OE2 3.45Å; R213-D251 IonicContact CZ-OD2 2.73Å; R213-D251 IonicContact NH1-OD2 3.69Å; R213-D251 IonicContact NH2-OD2 3.79Å; R213-D251 PolarHBondContact NH2-OD2 3.4Å
214	C	86.8	Confident	82.6	Confident	24 Å²	24	56.8 Å²	56.8	16%	0.162	30%	0.299	C	S	.	.	S	Bend	trans	-150.3	-175.7	179.3	68.2	0	0	0	0	113.5	K210 C211 L216	K210-C214 WeakPolarHBondContact CE-O 3.49Å; C211-C214 VanDerWaalsContact SG-SG 3.6Å; C214-L216 VanDerWaalsContact C-N 3.34Å; C214-L216 PolarHBondContact O-N 3.48Å
215	D	84.6	Confident	83	Confident	127 Å²	127	56 Å²	56	68%	0.679	30%	0.295	S	S	*	.	S	Bend	trans	-87.4	5.2	-175.8	-62.9	-45.8	0	0	0	115.6	K210	K210-D215 WeakPolarHBondContact CE-OD1 3.39Å; K210-D215 IonicContact NZ-OD1 3.66Å; K210-D215 PolarHBondContact NZ-OD1 3.07Å
216	L	81.3	Confident	83.8	Confident	57 Å²	57	53.7 Å²	53.7	30%	0.298	28%	0.279	S	S	.	.			trans	-67.1	135.9	178.8	-70.9	173.4	0	0	0	111.8	C211 C214 C231	C211-L216 HydrophobicContact CB-CB 4.49Å; C211-L216 PolarHBondContact N-O 2.84Å; C214-L216 VanDerWaalsContact C-N 3.34Å; C214-L216 PolarHBondContact O-N 3.48Å; L216-C231 HydrophobicContact CB-CB 4.16Å; L216-C231 HydrophobicContact CD1-CB 3.69Å
217	R	77.9	Confident	84.8	Confident	154 Å²	154	49.4 Å²	49.4	58%	0.581	25%	0.252	S	S	*	.			trans	-114.1	-6.5	178.5	-64.4	179.9	176.4	-86.9	6.3	113.2
218	E	71.8	Confident	85.8	Confident	154 Å²	154	49.3 Å²	49.3	72%	0.72	25%	0.251	S	S	*	.	S	Bend	trans	-118	158.2	-178.9	-61.9	-172.7	170.3	0	0	110.5	L220	E218-L220 PolarHBondContact O-N 2.73Å
219	N	81.6	Confident	86.8	Confident	47 Å²	47	48.5 Å²	48.5	25%	0.251	24%	0.24	S	C	.	.	S	Bend	trans	53.4	51.8	-178.1	-162.4	-7.4	0	0	0	112.4	W221 C231 G232	N219-W221 PolarHBondContact OD1-NE1 2.71Å; N219-C231 CarbonylContact O-C 3.54Å; N219-C231 WeakPolarHBondContact O-CA 3.43Å; N219-G232 PolarHBondContact O-N 3.15Å
220	L	86.6	Confident	87.2	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	141.6	-178.1	-61.6	178.2	0	0	0	111.1	W209 C211 E218 V229 L230 C231 L260	W209-L220 VanDerWaalsContact C-CD1 3.49Å; W209-L220 HydrophobicContact CB-CD1 3.51Å; W209-L220 WeakPolarHBondContact O-CD1 3.38Å; C211-L220 HydrophobicContact CB-CD2 3.82Å; E218-L220 PolarHBondContact O-N 2.73Å; L220-V229 HydrophobicContact CB-CG1 4.09Å; L220-V229 HydrophobicContact CD1-CG1 4.16Å; L220-L230 CarbonylContact C-O 3.59Å; L220-L230 WeakPolarHBondContact CA-O 3.38Å; L220-C231 HydrophobicContact CD2-CB 4.1Å; L220-L260 HydrophobicContact CB-CB 4.33Å; L220-L260 HydrophobicContact CB-CD1 4.18Å; L220-L260 PolarHBondContact O-N 2.73Å
221	W	90.4	Very high	87.3	Confident	40 Å²	40	41.7 Å²	41.7	15%	0.152	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.7	-176.8	-64.9	79.1	0	0	0	108.6	N219 V229 L230 G232 A245 A257 V258 K259 Y271	N219-W221 PolarHBondContact OD1-NE1 2.71Å; W221-V229 WeakPolarHBondContact O-CA 3.45Å; W221-L230 PolarHBondContact N-O 2.71Å; W221-L230 PolarHBondContact O-N 3.31Å; W221-G232 VanDerWaalsContact CD1-CA 3.47Å; W221-A245 HydrophobicContact CB-CB 4.08Å; W221-A245 HydrophobicContact CG-CB 4.46Å; W221-A257 HydrophobicContact CB-CB 4.2Å; W221-A257 HydrophobicContact CE3-CB 4.29Å; W221-V258 CarbonylContact C-O 3.54Å; W221-V258 WeakPolarHBondContact CA-O 3.09Å; W221-K259 HydrophobicContact CD2-CB 4.27Å; W221-K259 HydrophobicContact CD2-CG 4.5Å; W221-K259 HydrophobicContact CE3-CB 3.97Å; W221-K259 HydrophobicContact CH2-CB 3.94Å; W221-K259 HydrophobicContact CH2-CD 4.2Å; W221-K259 HydrophobicContact CH2-CG 4.35Å; W221-K259 HydrophobicContact CZ2-CB 4.23Å; W221-K259 HydrophobicContact CZ2-CD 4Å; W221-K259 HydrophobicContact CZ2-CG 4.17Å; W221-K259 HydrophobicContact CZ3-CB 3.78Å; W221-Y271 HydrophobicContact CH2-CG 4.43Å; W221-Y271 HydrophobicContact CZ3-CG 4.31Å
222	L	92.2	Very high	87	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.4	174.1	173	68.2	0	0	0	108.8	I204 L224 G227 S228 V229 A257 V258 L260 L288 I293	I204-L222 HydrophobicContact CD1-CD1 3.75Å; I204-L222 HydrophobicContact CG1-CD1 3.74Å; I204-L222 HydrophobicContact CG1-CD2 4.23Å; L222-L224 PolarHBondContact O-N 3.4Å; L222-G227 WeakPolarHBondContact CD1-O 3.28Å; L222-S228 WeakPolarHBondContact CA-O 3.34Å; L222-V229 HydrophobicContact CD1-CG2 3.87Å; L222-A257 CarbonylContact O-C 3.49Å; L222-A257 WeakPolarHBondContact O-CA 3.07Å; L222-A257 WeakPolarHBondContact O-CB 3.37Å; L222-V258 HydrophobicContact CB-CG1 3.81Å; L222-V258 HydrophobicContact CD2-CG1 4.04Å; L222-V258 HydrophobicContact CG-CG1 4.22Å; L222-V258 PolarHBondContact N-O 3.04Å; L222-V258 PolarHBondContact O-N 3.03Å; L222-L260 HydrophobicContact CB-CD1 4.14Å; L222-L260 HydrophobicContact CB-CD2 3.82Å; L222-L260 HydrophobicContact CB-CG 3.9Å; L222-L260 HydrophobicContact CD2-CD2 4.23Å; L222-L288 HydrophobicContact CD2-CD2 4.14Å; L222-I293 HydrophobicContact CD2-CD1 3.79Å
223	N	92.8	Very high	86.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.4	174.3	-169.5	-73.1	0	0	0	110.6	T225 D226 G227 S228 Y254	N223-T225 VanDerWaalsContact C-N 3.26Å; N223-T225 PolarHBondContact O-N 2.9Å; N223-T225 VanDerWaalsContact OD1-CB 3.31Å; N223-T225 WeakPolarHBondContact OD1-CB 3.24Å; N223-T225 PolarHBondContact OD1-N 2.98Å; N223-D226 VanDerWaalsContact CB-OD1 3.31Å; N223-D226 WeakPolarHBondContact CB-OD1 3.49Å; N223-D226 PolarHBondContact OD1-OD1 2.73Å; N223-G227 WeakPolarHBondContact O-CA 3.49Å; N223-G227 PolarHBondContact O-N 3.21Å; N223-S228 VanDerWaalsContact CB-OG 3.29Å; N223-S228 WeakPolarHBondContact CB-OG 3.35Å; N223-S228 PolarHBondContact N-O 3.26Å; N223-Y254 WeakPolarHBondContact ND2-CB 3.37Å; N223-Y254 PolarHBondContact ND2-O 2.99Å; N223-Y254 WeakPolarHBondContact OD1-CB 3.38Å
224	L	90.9	Very high	84.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.8	-174.1	-65.9	179	0	0	0	113.4	L195 Q197 L222 L256 V258 V270 L284 H287 L288 F291	L195-L224 HydrophobicContact CD2-CB 3.53Å; L195-L224 HydrophobicContact CD2-CD1 4.42Å; Q197-L224 WeakPolarHBondContact CG-O 3.41Å; Q197-L224 PolarHBondContact NE2-O 3.15Å; L222-L224 PolarHBondContact O-N 3.4Å; L224-L256 HydrophobicContact CB-CB 4.38Å; L224-L256 HydrophobicContact CD1-CB 4.08Å; L224-L256 PolarHBondContact N-O 3.4Å; L224-V258 HydrophobicContact CD2-CB 4.21Å; L224-V258 HydrophobicContact CD2-CG1 3.69Å; L224-V258 HydrophobicContact CG-CG1 4.39Å; L224-V270 HydrophobicContact CD1-CG1 4.42Å; L224-L284 HydrophobicContact CD1-CD1 4.14Å; L224-H287 HydrophobicContact CD1-CB 4.5Å; L224-H287 HydrophobicContact CD2-CB 4.33Å; L224-L288 HydrophobicContact CD2-CD2 4.12Å; L224-F291 WeakPolarHBondContact O-CE2 3.38Å
225	T	90.9	Very high	83.3	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-47.8	177.2	-66.5	0	0	0	0	112.2	T196 Q197 L198 N223 Y254	T196-T225 WeakPolarHBondContact O-CG2 3.4Å; T196-T225 PolarHBondContact O-OG1 2.71Å; Q197-T225 CarbonylContact C-O 3.6Å; Q197-T225 WeakPolarHBondContact CA-O 3.42Å; L198-T225 HydrophobicContact CD1-CG2 4.42Å; L198-T225 HydrophobicContact CG-CG2 4.13Å; L198-T225 PolarHBondContact N-O 3.03Å; N223-T225 VanDerWaalsContact C-N 3.26Å; N223-T225 PolarHBondContact O-N 2.9Å; N223-T225 VanDerWaalsContact OD1-CB 3.31Å; N223-T225 WeakPolarHBondContact OD1-CB 3.24Å; N223-T225 PolarHBondContact OD1-N 2.98Å; T225-Y254 HydrophobicContact CG2-CD1 3.51Å; T225-Y254 HydrophobicContact CG2-CD2 3.79Å; T225-Y254 HydrophobicContact CG2-CE1 3.75Å; T225-Y254 HydrophobicContact CG2-CE2 4.02Å; T225-Y254 HydrophobicContact CG2-CG 3.56Å
226	D	89.7	Confident	81	Confident	20 Å²	20	50.9 Å²	50.9	11%	0.107	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-3	-171.2	75.3	-19.4	0	0	0	114.6	L198 N200 N223 S228 H248 Y254	L198-D226 HydrophobicContact CD1-CB 4.08Å; N200-D226 PolarHBondContact ND2-O 2.81Å; N223-D226 VanDerWaalsContact CB-OD1 3.31Å; N223-D226 WeakPolarHBondContact CB-OD1 3.49Å; N223-D226 PolarHBondContact OD1-OD1 2.73Å; D226-S228 VanDerWaalsContact C-N 3.27Å; D226-S228 PolarHBondContact O-N 3.4Å; D226-S228 WeakPolarHBondContact OD1-CB 3.34Å; D226-S228 PolarHBondContact OD1-N 2.98Å; D226-S228 PolarHBondContact OD1-OG 3.05Å; D226-S228 PolarHBondContact OD2-OG 3.07Å; D226-H248 IonicContact OD1-CE1 3.55Å; D226-H248 IonicContact OD2-CE1 2.68Å; D226-H248 PolarHBondContact OD2-CE1 3.47Å; D226-H248 IonicContact OD2-NE2 3.48Å; D226-H248 PolarHBondContact OD2-NE2 3.36Å; D226-H248 VanDerWaalsContact OD2-NE2 3.1Å; D226-Y254 HydrophobicContact CB-CD2 3.99Å; D226-Y254 HydrophobicContact CB-CE2 3.65Å
227	G	89.4	Confident	79.2	Confident	5 Å²	5	52.9 Å²	52.9	5%	0.052	24%	0.238	C	C	.	.			trans	73.7	16.3	178.3	0	0	0	0	0	114.2	I204 L222 N223 F291	I204-G227 WeakPolarHBondContact CD1-O 3.48Å; L222-G227 WeakPolarHBondContact CD1-O 3.28Å; N223-G227 WeakPolarHBondContact O-CA 3.49Å; N223-G227 PolarHBondContact O-N 3.21Å; G227-F291 VanDerWaalsContact N-CE1 3.31Å; G227-F291 VanDerWaalsContact N-CZ 3.29Å
228	S	90.7	Very high	77.8	Confident	20 Å²	20	51.1 Å²	51.1	14%	0.14	25%	0.249	C	C	.	.			trans	-68.8	134.8	174.1	56.2	0	0	0	0	111.5	L222 N223 D226 H248	L222-S228 WeakPolarHBondContact CA-O 3.34Å; N223-S228 VanDerWaalsContact CB-OG 3.29Å; N223-S228 WeakPolarHBondContact CB-OG 3.35Å; N223-S228 PolarHBondContact N-O 3.26Å; D226-S228 VanDerWaalsContact C-N 3.27Å; D226-S228 PolarHBondContact O-N 3.4Å; D226-S228 WeakPolarHBondContact OD1-CB 3.34Å; D226-S228 PolarHBondContact OD1-N 2.98Å; D226-S228 PolarHBondContact OD1-OG 3.05Å; D226-S228 PolarHBondContact OD2-OG 3.07Å; S228-H248 PolarHBondContact OG-CE1 2.96Å; S228-H248 PolarHBondContact OG-ND1 3.22Å
229	V	91.9	Very high	76.9	Confident	17 Å²	17	47.8 Å²	47.8	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.4	177.8	179.5	0	0	0	0	110.3	I204 W209 A212 L220 W221 L222 L260	I204-V229 HydrophobicContact CD1-CG2 3.84Å; W209-V229 HydrophobicContact CB-CG1 4.22Å; A212-V229 PolarHBondContact N-O 3.18Å; L220-V229 HydrophobicContact CB-CG1 4.09Å; L220-V229 HydrophobicContact CD1-CG1 4.16Å; W221-V229 WeakPolarHBondContact O-CA 3.45Å; L222-V229 HydrophobicContact CD1-CG2 3.87Å; V229-L260 HydrophobicContact CB-CD1 4.34Å; V229-L260 HydrophobicContact CG1-CD1 3.5Å; V229-L260 VanDerWaalsContact CG1-CD1 3.5Å; V229-L260 HydrophobicContact CG2-CD1 3.92Å
230	L	91.6	Very high	76	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.5	-169	-61.4	168.7	0	0	0	112.2	A212 R213 L220 W221 H244 A245 H248	A212-L230 HydrophobicContact CB-CD2 3.96Å; R213-L230 HydrophobicContact CB-CD2 4.49Å; R213-L230 HydrophobicContact CG-CD2 3.97Å; L220-L230 CarbonylContact C-O 3.59Å; L220-L230 WeakPolarHBondContact CA-O 3.38Å; W221-L230 PolarHBondContact N-O 2.71Å; W221-L230 PolarHBondContact O-N 3.31Å; L230-H244 HydrophobicContact CB-CB 4.19Å; L230-H244 HydrophobicContact CD2-CB 4.19Å; L230-A245 HydrophobicContact CB-CB 3.89Å; L230-H248 HydrophobicContact CD1-CB 3.16Å
231	C	89.5	Confident	75.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	148	-180	63.4	0	0	0	0	112.6	C211 L216 N219 L220 N242 H244 A245	C211-C231 HydrophobicContact CB-CB 4.2Å; C211-C231 PolarHBondContact SG-N 3.41Å; C211-C231 VanDerWaalsContact SG-N 3.38Å; L216-C231 HydrophobicContact CB-CB 4.16Å; L216-C231 HydrophobicContact CD1-CB 3.69Å; N219-C231 CarbonylContact O-C 3.54Å; N219-C231 WeakPolarHBondContact O-CA 3.43Å; L220-C231 HydrophobicContact CD2-CB 4.1Å; C231-N242 PolarHBondContact SG-N 3.39Å; C231-H244 PolarHBondContact O-N 3.44Å; C231-H244 PolarHBondContact SG-ND1 2.88Å; C231-A245 WeakPolarHBondContact O-CB 3.43Å; C231-A245 PolarHBondContact O-N 2.78Å
232	G	82.6	Confident	74.9	Confident	4 Å²	4	47.9 Å²	47.9	4%	0.041	25%	0.25	C	S	.	.			trans	-68.8	-173.6	-179.2	0	0	0	0	0	114.7	N219 W221 G241 N242 G243	N219-G232 PolarHBondContact O-N 3.15Å; W221-G232 VanDerWaalsContact CD1-CA 3.47Å; G232-G241 CarbonylContact O-C 3.56Å; G232-G241 WeakPolarHBondContact O-CA 3.32Å; G232-N242 PolarHBondContact O-N 3.04Å; G232-G243 VanDerWaalsContact O-CA 3.28Å; G232-G243 WeakPolarHBondContact O-CA 3.4Å; G232-G243 PolarHBondContact O-N 3.46Å
233	K	74.8	Confident	74.5	Confident	85 Å²	85	48.4 Å²	48.4	37%	0.37	26%	0.256	S	S	.	.			trans	-61.8	150.6	-175.9	-74.7	177	177.4	170.8	0	113.1	G240 G241 Y271	K233-G240 CarbonylContact O-C 3.59Å; K233-G240 WeakPolarHBondContact O-CA 3.15Å; K233-G241 CarbonylContact C-O 3.56Å; K233-G241 VanDerWaalsContact C-O 3.23Å; K233-G241 PolarHBondContact O-N 3.06Å; K233-Y271 PolarHBondContact NZ-OH 3.41Å
234	W	52.5	Low	74.4	Confident	164 Å²	164	49.5 Å²	49.5	62%	0.621	26%	0.261	S	S	*	.			trans	-77.9	130.3	173.3	-173.6	82	0	0	0	111.1	F236 G241	W234-F236 HydrophobicContact CH2-CB 4.29Å; W234-F236 AromaticContact CH2-CD2 3.78Å; W234-F236 HydrophobicContact CH2-CD2 3.78Å; W234-F236 HydrophobicContact CH2-CG 4.44Å; W234-F236 HydrophobicContact CZ3-CB 4.32Å; W234-F236 HydrophobicContact CZ3-CD2 4.25Å; W234-G241 WeakPolarHBondContact CA-O 3.39Å; W234-G241 VanDerWaalsContact CB-O 3.3Å; W234-G241 WeakPolarHBondContact CB-O 3.31Å; W234-G241 PolarHBondContact N-O 3.16Å
235	F	55.9	Low	74.2	Confident	96 Å²	96	49.8 Å²	49.8	42%	0.421	26%	0.263	S	S	.	.			trans	-113.5	143.5	172.6	-61.1	-63.9	0	0	0	108.7	D237 S238	F235-D237 WeakPolarHBondContact CB-OD1 3.38Å; F235-D237 PolarHBondContact O-N 2.8Å; F235-D237 VanDerWaalsContact O-N 3.08Å; F235-S238 PolarHBondContact O-N 3.1Å
236	F	36.8	Very low	74	Confident	191 Å²	191	51.5 Å²	51.5	84%	0.838	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.6	-176.5	-173.2	-96.5	0	0	0	113.3	W234	W234-F236 HydrophobicContact CH2-CB 4.29Å; W234-F236 AromaticContact CH2-CD2 3.78Å; W234-F236 HydrophobicContact CH2-CD2 3.78Å; W234-F236 HydrophobicContact CH2-CG 4.44Å; W234-F236 HydrophobicContact CZ3-CB 4.32Å; W234-F236 HydrophobicContact CZ3-CD2 4.25Å
237	D	43.2	Very low	74	Confident	99 Å²	99	54.3 Å²	54.3	53%	0.529	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	11	-178.5	61.9	9.1	0	0	0	114.1	F235 S239	F235-D237 WeakPolarHBondContact CB-OD1 3.38Å; F235-D237 PolarHBondContact O-N 2.8Å; F235-D237 VanDerWaalsContact O-N 3.08Å; D237-S239 PolarHBondContact O-N 3.13Å; D237-S239 PolarHBondContact OD1-N 2.98Å; D237-S239 VanDerWaalsContact OD1-N 3.11Å; D237-S239 PolarHBondContact OD1-OG 2.98Å; D237-S239 PolarHBondContact OD2-OG 2.8Å; D237-S239 VanDerWaalsContact OD2-OG 3.12Å
238	S	48.5	Very low	74	Confident	116 Å²	116	54.7 Å²	54.7	81%	0.811	29%	0.285	S	S	*	.	S	Bend	trans	61.8	5.1	-178.6	39.3	0	0	0	0	116.2	F235	F235-S238 PolarHBondContact O-N 3.1Å
239	S	53.5	Low	74	Confident	85 Å²	85	55.4 Å²	55.4	59%	0.594	29%	0.285	S	S	*	.			trans	-88.4	-0.4	173.2	11.5	0	0	0	0	114.2	D237	D237-S239 PolarHBondContact O-N 3.13Å; D237-S239 PolarHBondContact OD1-N 2.98Å; D237-S239 VanDerWaalsContact OD1-N 3.11Å; D237-S239 PolarHBondContact OD1-OG 2.98Å; D237-S239 PolarHBondContact OD2-OG 2.8Å; D237-S239 VanDerWaalsContact OD2-OG 3.12Å
240	G	62	Low	73.9	Confident	14 Å²	14	63.4 Å²	63.4	14%	0.144	31%	0.313	C	S	.	.	S	Bend	trans	-91.6	169.8	179	0	0	0	0	0	115.2	K233	K233-G240 CarbonylContact O-C 3.59Å; K233-G240 WeakPolarHBondContact O-CA 3.15Å
241	G	71.4	Confident	73.8	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.01	34%	0.338	C	S	.	.			trans	-81.9	179.5	167.9	0	0	0	0	0	112.2	G232 K233 W234 G243	G232-G241 CarbonylContact O-C 3.56Å; G232-G241 WeakPolarHBondContact O-CA 3.32Å; K233-G241 CarbonylContact C-O 3.56Å; K233-G241 VanDerWaalsContact C-O 3.23Å; K233-G241 PolarHBondContact O-N 3.06Å; W234-G241 WeakPolarHBondContact CA-O 3.39Å; W234-G241 VanDerWaalsContact CB-O 3.3Å; W234-G241 WeakPolarHBondContact CB-O 3.31Å; W234-G241 PolarHBondContact N-O 3.16Å; G241-G243 VanDerWaalsContact C-N 3.28Å; G241-G243 PolarHBondContact O-N 2.87Å
242	N	82.8	Confident	73.7	Confident	77 Å²	77	72.8 Å²	72.8	41%	0.412	36%	0.361	S	S	.	.			trans	-84.5	6.8	-179.5	-64.9	-17.8	0	0	0	114.4	C231 G232 H244	C231-N242 PolarHBondContact SG-N 3.39Å; G232-N242 PolarHBondContact O-N 3.04Å; N242-H244 VanDerWaalsContact C-N 3.32Å; N242-H244 PolarHBondContact O-N 3.3Å
243	G	83.8	Confident	74	Confident	11 Å²	11	74.8 Å²	74.8	11%	0.113	38%	0.382	C	S	.	.	S	Bend	trans	79.2	6.3	-179.8	0	0	0	0	0	115.4	G232 G241 A245 L246 E247	G232-G243 VanDerWaalsContact O-CA 3.28Å; G232-G243 WeakPolarHBondContact O-CA 3.4Å; G232-G243 PolarHBondContact O-N 3.46Å; G241-G243 VanDerWaalsContact C-N 3.28Å; G241-G243 PolarHBondContact O-N 2.87Å; G243-A245 VanDerWaalsContact C-N 3.25Å; G243-A245 PolarHBondContact O-N 3.47Å; G243-L246 WeakPolarHBondContact O-CB 3.35Å; G243-L246 PolarHBondContact O-N 3.44Å; G243-E247 PolarHBondContact O-N 3.24Å; G243-E247 VanDerWaalsContact O-N 3.08Å
244	H	89.3	Confident	74.8	Confident	27 Å²	27	73.3 Å²	73.3	13%	0.125	37%	0.374	C	S	.	.	H	α-helix	trans	-57.9	-32.3	-176.7	-66.5	138	0	0	0	114.3	R213 L230 C231 N242 L246 E247 H248	R213-H244 HydrophobicContact CB-CB 4.33Å; L230-H244 HydrophobicContact CB-CB 4.19Å; L230-H244 HydrophobicContact CD2-CB 4.19Å; C231-H244 PolarHBondContact O-N 3.44Å; C231-H244 PolarHBondContact SG-ND1 2.88Å; N242-H244 VanDerWaalsContact C-N 3.32Å; N242-H244 PolarHBondContact O-N 3.3Å; H244-L246 VanDerWaalsContact C-N 3.31Å; H244-L246 PolarHBondContact O-N 3.28Å; H244-E247 IonicContact CD2-OE2 3.71Å; H244-E247 PolarHBondContact CD2-OE2 2.94Å; H244-E247 PolarHBondContact O-N 3.18Å; H244-H248 VanDerWaalsContact O-CB 3.31Å; H244-H248 WeakPolarHBondContact O-CB 3.29Å; H244-H248 PolarHBondContact O-N 3.08Å
245	A	87	Confident	76.6	Confident	6 Å²	6	66.3 Å²	66.3	5%	0.05	35%	0.35	C	S	.	.	H	α-helix	trans	-65	-36.6	176.3	0	0	0	0	0	112	W221 L230 C231 G243 Y249 F273	W221-A245 HydrophobicContact CB-CB 4.08Å; W221-A245 HydrophobicContact CG-CB 4.46Å; L230-A245 HydrophobicContact CB-CB 3.89Å; C231-A245 WeakPolarHBondContact O-CB 3.43Å; C231-A245 PolarHBondContact O-N 2.78Å; G243-A245 VanDerWaalsContact C-N 3.25Å; G243-A245 PolarHBondContact O-N 3.47Å; A245-Y249 PolarHBondContact O-N 3.4Å; A245-Y249 VanDerWaalsContact O-N 3.12Å; A245-F273 HydrophobicContact CB-CE1 4.37Å; A245-F273 HydrophobicContact CB-CZ 3.74Å
246	L	87.8	Confident	78.3	Confident	37 Å²	37	61.7 Å²	61.7	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-73.4	-39.7	176	-178	66.9	0	0	0	111.7	G243 H244 H248 Y249 R250 F273	G243-L246 WeakPolarHBondContact O-CB 3.35Å; G243-L246 PolarHBondContact O-N 3.44Å; H244-L246 VanDerWaalsContact C-N 3.31Å; H244-L246 PolarHBondContact O-N 3.28Å; L246-H248 VanDerWaalsContact C-N 3.33Å; L246-Y249 HydrophobicContact CD1-CD1 4.22Å; L246-Y249 PolarHBondContact O-N 2.77Å; L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 3.03Å; L246-F273 HydrophobicContact CB-CE1 4.3Å; L246-F273 HydrophobicContact CD1-CD1 3.75Å; L246-F273 HydrophobicContact CD1-CE1 4.33Å
247	E	88.8	Confident	80.9	Confident	80 Å²	80	52.7 Å²	52.7	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-44.9	173.5	-68.8	-178.4	172.7	0	0	111.4	R213 G243 H244 Y249 R250 D251	R213-E247 IonicContact NH1-OE2 2.82Å; R213-E247 PolarHBondContact NH1-OE2 3.45Å; G243-E247 PolarHBondContact O-N 3.24Å; G243-E247 VanDerWaalsContact O-N 3.08Å; H244-E247 IonicContact CD2-OE2 3.71Å; H244-E247 PolarHBondContact CD2-OE2 2.94Å; H244-E247 PolarHBondContact O-N 3.18Å; E247-Y249 VanDerWaalsContact C-N 3.32Å; E247-Y249 PolarHBondContact O-N 2.72Å; E247-R250 WeakPolarHBondContact O-CA 3.24Å; E247-R250 WeakPolarHBondContact O-CB 3.46Å; E247-R250 PolarHBondContact O-N 2.99Å; E247-D251 VanDerWaalsContact O-CG 3.22Å; E247-D251 PolarHBondContact O-N 3.06Å
248	H	90.3	Very high	83.1	Confident	13 Å²	13	48 Å²	48	6%	0.06	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-39.6	177.4	-178.1	-96.9	0	0	0	112.8	D226 S228 L230 H244 L246 R250 D251 M252 Y254	D226-H248 IonicContact OD1-CE1 3.55Å; D226-H248 IonicContact OD2-CE1 2.68Å; D226-H248 PolarHBondContact OD2-CE1 3.47Å; D226-H248 IonicContact OD2-NE2 3.48Å; D226-H248 PolarHBondContact OD2-NE2 3.36Å; D226-H248 VanDerWaalsContact OD2-NE2 3.1Å; S228-H248 PolarHBondContact OG-CE1 2.96Å; S228-H248 PolarHBondContact OG-ND1 3.22Å; L230-H248 HydrophobicContact CD1-CB 3.16Å; H244-H248 VanDerWaalsContact O-CB 3.31Å; H244-H248 WeakPolarHBondContact O-CB 3.29Å; H244-H248 PolarHBondContact O-N 3.08Å; L246-H248 VanDerWaalsContact C-N 3.33Å; H248-R250 VanDerWaalsContact C-N 3.35Å; H248-D251 PolarHBondContact O-N 2.96Å; H248-M252 WeakPolarHBondContact O-CB 3.47Å; H248-M252 PolarHBondContact O-N 3.47Å; H248-Y254 AromaticContact CE1-CD2 3.77Å
249	Y	90.1	Very high	84.9	Confident	35 Å²	35	45.5 Å²	45.5	14%	0.137	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-41.3	170.1	163.5	-106.8	0	0	0	112.2	A245 L246 E247 D251 G253 Y254 F273 Q274	A245-Y249 PolarHBondContact O-N 3.4Å; A245-Y249 VanDerWaalsContact O-N 3.12Å; L246-Y249 HydrophobicContact CD1-CD1 4.22Å; L246-Y249 PolarHBondContact O-N 2.77Å; E247-Y249 VanDerWaalsContact C-N 3.32Å; E247-Y249 PolarHBondContact O-N 2.72Å; Y249-D251 VanDerWaalsContact C-N 3.3Å; Y249-D251 PolarHBondContact O-N 3.45Å; Y249-G253 WeakPolarHBondContact O-CA 3.35Å; Y249-G253 PolarHBondContact O-N 3.03Å; Y249-Y254 VanDerWaalsContact CD2-O 3.29Å; Y249-Y254 WeakPolarHBondContact CD2-O 3.44Å; Y249-F273 HydrophobicContact CD1-CB 3.4Å; Y249-F273 VanDerWaalsContact CD1-CB 3.4Å; Y249-F273 HydrophobicContact CD1-CG 4.09Å; Y249-F273 HydrophobicContact CD2-CB 3.62Å; Y249-F273 HydrophobicContact CD2-CD2 4.46Å; Y249-F273 HydrophobicContact CD2-CG 4.32Å; Y249-F273 HydrophobicContact CE1-CB 3.7Å; Y249-F273 HydrophobicContact CE2-CB 3.93Å; Y249-F273 HydrophobicContact CG-CB 3.32Å; Y249-F273 HydrophobicContact CG-CD2 4.16Å; Y249-F273 AromaticContact CG-CG 3.79Å; Y249-F273 HydrophobicContact CG-CG 3.79Å; Y249-Q274 HydrophobicContact CE2-CB 4.43Å; Y249-Q274 WeakPolarHBondContact OH-CA 3.29Å; Y249-Q274 PolarHBondContact OH-OE1 3.33Å
250	R	89.1	Confident	86.1	Confident	185 Å²	185	42.1 Å²	42.1	70%	0.698	22%	0.215	S	C	*	.	H	α-helix	trans	-63.6	-35.8	176.2	-72.5	174.8	174.6	172.7	-1	112.6	L246 E247 H248	L246-R250 WeakPolarHBondContact O-CG 3.47Å; L246-R250 PolarHBondContact O-N 3.03Å; E247-R250 WeakPolarHBondContact O-CA 3.24Å; E247-R250 WeakPolarHBondContact O-CB 3.46Å; E247-R250 PolarHBondContact O-N 2.99Å; H248-R250 VanDerWaalsContact C-N 3.35Å
251	D	89.6	Confident	86.5	Confident	104 Å²	104	44.4 Å²	44.4	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-75.5	-44.2	-179.1	-63.9	-24.7	0	0	0	111.8	R213 E247 H248 Y249	R213-D251 IonicContact CZ-OD2 2.73Å; R213-D251 IonicContact NH1-OD2 3.69Å; R213-D251 IonicContact NH2-OD2 3.79Å; R213-D251 PolarHBondContact NH2-OD2 3.4Å; E247-D251 VanDerWaalsContact O-CG 3.22Å; E247-D251 PolarHBondContact O-N 3.06Å; H248-D251 PolarHBondContact O-N 2.96Å; Y249-D251 VanDerWaalsContact C-N 3.3Å; Y249-D251 PolarHBondContact O-N 3.45Å
252	M	87.8	Confident	86.6	Confident	99 Å²	99	46.1 Å²	46.1	49%	0.488	25%	0.249	S	C	.	.	H	α-helix	trans	-107	-20	-168.1	-60.7	-59.8	-161.6	0	0	114.5	H248 Y254	H248-M252 WeakPolarHBondContact O-CB 3.47Å; H248-M252 PolarHBondContact O-N 3.47Å; M252-Y254 VanDerWaalsContact C-N 3.34Å; M252-Y254 HydrophobicContact CB-CD1 4.09Å; M252-Y254 HydrophobicContact CB-CD2 3.66Å; M252-Y254 HydrophobicContact CB-CE1 4Å; M252-Y254 HydrophobicContact CB-CE2 3.54Å; M252-Y254 HydrophobicContact CB-CG 3.91Å; M252-Y254 HydrophobicContact CG-CD2 4.34Å; M252-Y254 HydrophobicContact CG-CE2 3.94Å; M252-Y254 WeakPolarHBondContact O-CD1 3.28Å; M252-Y254 WeakPolarHBondContact O-CE1 3.48Å
253	G	88.6	Confident	86.2	Confident	46 Å²	46	43.8 Å²	43.8	47%	0.474	24%	0.236	S	C	.	.			trans	74.7	16.3	-177.3	0	0	0	0	0	115	Y249 P255	Y249-G253 WeakPolarHBondContact O-CA 3.35Å; Y249-G253 PolarHBondContact O-N 3.03Å; G253-P255 WeakPolarHBondContact O-CD 3.41Å
254	Y	92.8	Very high	85.3	Confident	53 Å²	53	46.2 Å²	46.2	21%	0.208	25%	0.249	C	C	.	.			trans	-83.1	111.2	-175.5	-58.7	-20.2	0	0	0	112.4	L198 N223 T225 D226 H248 Y249 M252	L198-Y254 HydrophobicContact CD1-CE2 4.37Å; N223-Y254 WeakPolarHBondContact ND2-CB 3.37Å; N223-Y254 PolarHBondContact ND2-O 2.99Å; N223-Y254 WeakPolarHBondContact OD1-CB 3.38Å; T225-Y254 HydrophobicContact CG2-CD1 3.51Å; T225-Y254 HydrophobicContact CG2-CD2 3.79Å; T225-Y254 HydrophobicContact CG2-CE1 3.75Å; T225-Y254 HydrophobicContact CG2-CE2 4.02Å; T225-Y254 HydrophobicContact CG2-CG 3.56Å; D226-Y254 HydrophobicContact CB-CD2 3.99Å; D226-Y254 HydrophobicContact CB-CE2 3.65Å; H248-Y254 AromaticContact CE1-CD2 3.77Å; Y249-Y254 VanDerWaalsContact CD2-O 3.29Å; Y249-Y254 WeakPolarHBondContact CD2-O 3.44Å; M252-Y254 VanDerWaalsContact C-N 3.34Å; M252-Y254 HydrophobicContact CB-CD1 4.09Å; M252-Y254 HydrophobicContact CB-CD2 3.66Å; M252-Y254 HydrophobicContact CB-CE1 4Å; M252-Y254 HydrophobicContact CB-CE2 3.54Å; M252-Y254 HydrophobicContact CB-CG 3.91Å; M252-Y254 HydrophobicContact CG-CD2 4.34Å; M252-Y254 HydrophobicContact CG-CE2 3.94Å; M252-Y254 WeakPolarHBondContact O-CD1 3.28Å; M252-Y254 WeakPolarHBondContact O-CE1 3.48Å
255	P	89.4	Confident	83.7	Confident	17 Å²	17	47.2 Å²	47.2	11%	0.11	26%	0.258	C	S	.	.			trans	-79.8	-28.3	-156.2	29.1	-35.5	0	0	0	115.1	Y191 L195 G253 S272 F273 Q274	Y191-P255 HydrophobicContact CD1-CB 4.34Å; Y191-P255 HydrophobicContact CD1-CG 4.01Å; Y191-P255 HydrophobicContact CD2-CB 4.15Å; Y191-P255 HydrophobicContact CG-CB 4.01Å; Y191-P255 HydrophobicContact CG-CG 3.88Å; L195-P255 HydrophobicContact CD1-CG 4.16Å; G253-P255 WeakPolarHBondContact O-CD 3.41Å; P255-S272 CarbonylContact O-C 3.58Å; P255-S272 WeakPolarHBondContact O-CA 3.41Å; P255-F273 PolarHBondContact O-N 3.1Å; P255-Q274 HydrophobicContact CB-CB 4.15Å
256	L	91.5	Very high	81.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.4	-170.3	-62.6	-177.9	0	0	0	112.2	L195 L224 V270 V279	L195-L256 HydrophobicContact CD1-CB 4.32Å; L195-L256 HydrophobicContact CD1-CD1 4.1Å; L195-L256 HydrophobicContact CD1-CG 4.27Å; L195-L256 HydrophobicContact CD2-CD1 4.27Å; L224-L256 HydrophobicContact CB-CB 4.38Å; L224-L256 HydrophobicContact CD1-CB 4.08Å; L224-L256 PolarHBondContact N-O 3.4Å; L256-V270 HydrophobicContact CD2-CG1 4.47Å; L256-V279 HydrophobicContact CD2-CG2 4.1Å
257	A	91.4	Very high	81	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.8	167.9	0	0	0	0	0	111.6	W221 L222 Y271 F273	W221-A257 HydrophobicContact CB-CB 4.2Å; W221-A257 HydrophobicContact CE3-CB 4.29Å; L222-A257 CarbonylContact O-C 3.49Å; L222-A257 WeakPolarHBondContact O-CA 3.07Å; L222-A257 WeakPolarHBondContact O-CB 3.37Å; A257-Y271 PolarHBondContact N-O 2.87Å; A257-Y271 PolarHBondContact O-N 3.41Å; A257-F273 HydrophobicContact CB-CE2 3.59Å; A257-F273 HydrophobicContact CB-CZ 4.21Å
258	V	90.5	Very high	80.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.9	175.8	63.4	0	0	0	0	109.6	W221 L222 L224 L260 I263 A268 D269 V270 L284 L288	W221-V258 CarbonylContact C-O 3.54Å; W221-V258 WeakPolarHBondContact CA-O 3.09Å; L222-V258 HydrophobicContact CB-CG1 3.81Å; L222-V258 HydrophobicContact CD2-CG1 4.04Å; L222-V258 HydrophobicContact CG-CG1 4.22Å; L222-V258 PolarHBondContact N-O 3.04Å; L222-V258 PolarHBondContact O-N 3.03Å; L224-V258 HydrophobicContact CD2-CB 4.21Å; L224-V258 HydrophobicContact CD2-CG1 3.69Å; L224-V258 HydrophobicContact CG-CG1 4.39Å; V258-L260 PolarHBondContact O-N 3.19Å; V258-I263 HydrophobicContact CG1-CD1 4.49Å; V258-I263 HydrophobicContact CG2-CD1 4.35Å; V258-I263 HydrophobicContact CG2-CG1 4.04Å; V258-A268 HydrophobicContact CG2-CB 3.55Å; V258-D269 WeakPolarHBondContact CA-O 3.48Å; V258-V270 HydrophobicContact CB-CG2 4.35Å; V258-V270 HydrophobicContact CG2-CG2 4.21Å; V258-L284 HydrophobicContact CG2-CD1 4.41Å; V258-L288 HydrophobicContact CG1-CD2 3.99Å
259	K	84.6	Confident	80	Confident	65 Å²	65	54.1 Å²	54.1	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126	177.5	-169.1	177.7	176.2	-169.7	0	109.8	W221 T262 D269	W221-K259 HydrophobicContact CD2-CB 4.27Å; W221-K259 HydrophobicContact CD2-CG 4.5Å; W221-K259 HydrophobicContact CE3-CB 3.97Å; W221-K259 HydrophobicContact CH2-CB 3.94Å; W221-K259 HydrophobicContact CH2-CD 4.2Å; W221-K259 HydrophobicContact CH2-CG 4.35Å; W221-K259 HydrophobicContact CZ2-CB 4.23Å; W221-K259 HydrophobicContact CZ2-CD 4Å; W221-K259 HydrophobicContact CZ2-CG 4.17Å; W221-K259 HydrophobicContact CZ3-CB 3.78Å; K259-T262 HydrophobicContact CB-CG2 4.47Å; K259-T262 HydrophobicContact CD-CG2 3.91Å; K259-T262 HydrophobicContact CG-CG2 4.25Å; K259-T262 PolarHBondContact O-OG1 2.85Å; K259-D269 HydrophobicContact CB-CB 4.06Å; K259-D269 PolarHBondContact N-O 3.04Å
260	L	79.2	Confident	79.8	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.068	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	131.1	175.9	-67.2	174	0	0	0	109.2	W209 L220 L222 V229 V258 I263	W209-L260 HydrophobicContact CB-CD1 4.07Å; W209-L260 HydrophobicContact CD2-CB 4Å; W209-L260 HydrophobicContact CD2-CD1 3.84Å; W209-L260 HydrophobicContact CD2-CD2 4.41Å; W209-L260 HydrophobicContact CD2-CG 4.32Å; W209-L260 HydrophobicContact CE3-CB 3.75Å; W209-L260 HydrophobicContact CE3-CD1 4.39Å; W209-L260 HydrophobicContact CG-CD1 3.68Å; W209-L260 HydrophobicContact CH2-CB 4.31Å; W209-L260 HydrophobicContact CZ2-CD2 4.12Å; W209-L260 HydrophobicContact CZ3-CB 3.92Å; L220-L260 HydrophobicContact CB-CB 4.33Å; L220-L260 HydrophobicContact CB-CD1 4.18Å; L220-L260 PolarHBondContact O-N 2.73Å; L222-L260 HydrophobicContact CB-CD1 4.14Å; L222-L260 HydrophobicContact CB-CD2 3.82Å; L222-L260 HydrophobicContact CB-CG 3.9Å; L222-L260 HydrophobicContact CD2-CD2 4.23Å; V229-L260 HydrophobicContact CB-CD1 4.34Å; V229-L260 HydrophobicContact CG1-CD1 3.5Å; V229-L260 VanDerWaalsContact CG1-CD1 3.5Å; V229-L260 HydrophobicContact CG2-CD1 3.92Å; V258-L260 PolarHBondContact O-N 3.19Å; L260-I263 HydrophobicContact CD2-CD1 4.06Å
261	G	70	Confident	79.7	Confident	63 Å²	63	45.5 Å²	45.5	65%	0.649	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-9	-174.5	0	0	0	0	0	115
262	T	73.3	Confident	79.7	Confident	36 Å²	36	40.6 Å²	40.6	22%	0.221	25%	0.247	C	C	.	.			trans	-112.1	6.9	175.3	59.6	0	0	0	0	112.7	K259 T264 A268 D269	K259-T262 HydrophobicContact CB-CG2 4.47Å; K259-T262 HydrophobicContact CD-CG2 3.91Å; K259-T262 HydrophobicContact CG-CG2 4.25Å; K259-T262 PolarHBondContact O-OG1 2.85Å; T262-T264 PolarHBondContact O-N 3.4Å; T262-A268 WeakPolarHBondContact O-CA 3.42Å; T262-D269 WeakPolarHBondContact CG2-OD2 3.36Å; T262-D269 PolarHBondContact OG1-N 3.29Å
263	I	75.6	Confident	79.6	Confident	28 Å²	28	36.4 Å²	36.4	14%	0.144	23%	0.226	C	C	.	.			trans	-77.5	116	179	-57.7	170.4	0	0	0	108.6	V258 L260 A268 L288	V258-I263 HydrophobicContact CG1-CD1 4.49Å; V258-I263 HydrophobicContact CG2-CD1 4.35Å; V258-I263 HydrophobicContact CG2-CG1 4.04Å; L260-I263 HydrophobicContact CD2-CD1 4.06Å; I263-A268 HydrophobicContact CB-CB 4.22Å; I263-A268 HydrophobicContact CG1-CB 3.83Å; I263-L288 HydrophobicContact CD1-CD1 4.27Å; I263-L288 HydrophobicContact CD1-CD2 4.2Å; I263-L288 HydrophobicContact CG2-CD1 3.91Å
264	T	65.6	Low	79.4	Confident	62 Å²	62	38.9 Å²	38.9	38%	0.38	23%	0.225	S	C	.	.			trans	-126	168.5	177.4	67.3	0	0	0	0	109.7	T262 D266 G267 M295	T262-T264 PolarHBondContact O-N 3.4Å; T264-D266 PolarHBondContact O-N 3.45Å; T264-D266 PolarHBondContact OG1-N 2.88Å; T264-G267 PolarHBondContact N-O 2.65Å; T264-G267 PolarHBondContact O-N 3.36Å; T264-G267 PolarHBondContact OG1-N 3.44Å; T264-G267 PolarHBondContact OG1-O 3.16Å; T264-M295 WeakPolarHBondContact O-CE 3.44Å
265	P	54.1	Low	78.8	Confident	48 Å²	48	38.5 Å²	38.5	31%	0.312	23%	0.225	S	C	.	.	S	Bend	trans	-56.8	-34.5	172.4	-22.3	31.6	0	0	0	113.2	M298	P265-M298 HydrophobicContact CG-CB 3.69Å
266	D	49.3	Very low	78.4	Confident	158 Å²	158	44.4 Å²	44.4	85%	0.845	25%	0.251	S	S	*	.	S	Bend	trans	-84.1	-17.2	-174	-57.3	-50.9	0	0	0	112.9	T264	T264-D266 PolarHBondContact O-N 3.45Å; T264-D266 PolarHBondContact OG1-N 2.88Å
267	G	69.9	Low	77.9	Confident	23 Å²	23	49.7 Å²	49.7	24%	0.237	28%	0.276	C	S	.	.			trans	160.2	-176.7	179.8	0	0	0	0	0	114.1	T264	T264-G267 PolarHBondContact N-O 2.65Å; T264-G267 PolarHBondContact O-N 3.36Å; T264-G267 PolarHBondContact OG1-N 3.44Å; T264-G267 PolarHBondContact OG1-O 3.16Å
268	A	77.1	Confident	77.3	Confident	18 Å²	18	52.8 Å²	52.8	15%	0.149	30%	0.296	C	S	.	.			trans	-149.6	156.1	170.8	0	0	0	0	0	111.2	V258 T262 I263 V270 L284	V258-A268 HydrophobicContact CG2-CB 3.55Å; T262-A268 WeakPolarHBondContact O-CA 3.42Å; I263-A268 HydrophobicContact CB-CB 4.22Å; I263-A268 HydrophobicContact CG1-CB 3.83Å; A268-V270 PolarHBondContact O-N 3.11Å; A268-V270 VanDerWaalsContact O-N 3.15Å; A268-L284 HydrophobicContact CB-CD2 3.75Å
269	D	79.8	Confident	77	Confident	82 Å²	82	52.9 Å²	52.9	44%	0.439	30%	0.297	S	S	.	.			trans	-66.5	109.2	171.3	-64.3	-10.3	0	0	0	110.8	V258 K259 T262	V258-D269 WeakPolarHBondContact CA-O 3.48Å; K259-D269 HydrophobicContact CB-CB 4.06Å; K259-D269 PolarHBondContact N-O 3.04Å; T262-D269 WeakPolarHBondContact CG2-OD2 3.36Å; T262-D269 PolarHBondContact OG1-N 3.29Å
270	V	85.8	Confident	76.9	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.5	174.3	-175.9	0	0	0	0	109.6	L224 L256 V258 A268 P278 V279 D281 L284	L224-V270 HydrophobicContact CD1-CG1 4.42Å; L256-V270 HydrophobicContact CD2-CG1 4.47Å; V258-V270 HydrophobicContact CB-CG2 4.35Å; V258-V270 HydrophobicContact CG2-CG2 4.21Å; A268-V270 PolarHBondContact O-N 3.11Å; A268-V270 VanDerWaalsContact O-N 3.15Å; V270-P278 WeakPolarHBondContact O-CA 3.25Å; V270-V279 HydrophobicContact CB-CG2 4.34Å; V270-V279 WeakPolarHBondContact CB-O 3.23Å; V270-V279 HydrophobicContact CG1-CG2 3.91Å; V270-V279 PolarHBondContact O-N 3.46Å; V270-D281 HydrophobicContact CG2-CB 4.31Å; V270-L284 HydrophobicContact CG2-CD1 3.81Å; V270-L284 HydrophobicContact CG2-CD2 4.07Å
271	Y	87.9	Confident	77.1	Confident	35 Å²	35	54 Å²	54	14%	0.137	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.6	177.5	-173.9	-90.7	0	0	0	110.6	W221 K233 A257 F273 E276	W221-Y271 HydrophobicContact CH2-CG 4.43Å; W221-Y271 HydrophobicContact CZ3-CG 4.31Å; K233-Y271 PolarHBondContact NZ-OH 3.41Å; A257-Y271 PolarHBondContact N-O 2.87Å; A257-Y271 PolarHBondContact O-N 3.41Å; Y271-F273 AromaticContact CD1-CD1 3.88Å; Y271-F273 HydrophobicContact CD1-CD1 3.88Å; Y271-F273 AromaticContact CD1-CE1 3.96Å; Y271-F273 HydrophobicContact CD1-CE1 3.96Å; Y271-F273 HydrophobicContact CD1-CG 4.18Å; Y271-F273 HydrophobicContact CD1-CZ 4.34Å; Y271-F273 AromaticContact CE1-CD1 3.63Å; Y271-F273 HydrophobicContact CE1-CD1 3.63Å; Y271-F273 AromaticContact CE1-CE1 3.97Å; Y271-F273 HydrophobicContact CE1-CE1 3.97Å; Y271-F273 HydrophobicContact CE1-CG 4.18Å; Y271-E276 PolarHBondContact OH-O 3.31Å
272	S	88.4	Confident	77.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.1	174.5	-179.4	0	0	0	0	109.4	P255 Q274 E275 E276 E277	P255-S272 CarbonylContact O-C 3.58Å; P255-S272 WeakPolarHBondContact O-CA 3.41Å; S272-Q274 PolarHBondContact O-N 2.98Å; S272-E275 VanDerWaalsContact CB-OE2 3.25Å; S272-E275 WeakPolarHBondContact CB-OE2 3.47Å; S272-E275 PolarHBondContact O-N 3.35Å; S272-E275 WeakPolarHBondContact OG-CB 3.36Å; S272-E275 WeakPolarHBondContact OG-CG 3.49Å; S272-E275 PolarHBondContact OG-N 3.3Å; S272-E275 PolarHBondContact OG-OE2 2.83Å; S272-E276 WeakPolarHBondContact O-CA 3.44Å; S272-E276 PolarHBondContact O-N 3.32Å; S272-E277 PolarHBondContact N-O 3.09Å; S272-E277 VanDerWaalsContact N-O 3.09Å; S272-E277 PolarHBondContact O-N 3.15Å
273	F	86	Confident	78.2	Confident	12 Å²	12	57 Å²	57	5%	0.053	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.9	176.6	-67.7	-73.4	0	0	0	113	A245 L246 Y249 P255 A257 Y271	A245-F273 HydrophobicContact CB-CE1 4.37Å; A245-F273 HydrophobicContact CB-CZ 3.74Å; L246-F273 HydrophobicContact CB-CE1 4.3Å; L246-F273 HydrophobicContact CD1-CD1 3.75Å; L246-F273 HydrophobicContact CD1-CE1 4.33Å; Y249-F273 HydrophobicContact CD1-CB 3.4Å; Y249-F273 VanDerWaalsContact CD1-CB 3.4Å; Y249-F273 HydrophobicContact CD1-CG 4.09Å; Y249-F273 HydrophobicContact CD2-CB 3.62Å; Y249-F273 HydrophobicContact CD2-CD2 4.46Å; Y249-F273 HydrophobicContact CD2-CG 4.32Å; Y249-F273 HydrophobicContact CE1-CB 3.7Å; Y249-F273 HydrophobicContact CE2-CB 3.93Å; Y249-F273 HydrophobicContact CG-CB 3.32Å; Y249-F273 HydrophobicContact CG-CD2 4.16Å; Y249-F273 AromaticContact CG-CG 3.79Å; Y249-F273 HydrophobicContact CG-CG 3.79Å; P255-F273 PolarHBondContact O-N 3.1Å; A257-F273 HydrophobicContact CB-CE2 3.59Å; A257-F273 HydrophobicContact CB-CZ 4.21Å; Y271-F273 AromaticContact CD1-CD1 3.88Å; Y271-F273 HydrophobicContact CD1-CD1 3.88Å; Y271-F273 AromaticContact CD1-CE1 3.96Å; Y271-F273 HydrophobicContact CD1-CE1 3.96Å; Y271-F273 HydrophobicContact CD1-CG 4.18Å; Y271-F273 HydrophobicContact CD1-CZ 4.34Å; Y271-F273 AromaticContact CE1-CD1 3.63Å; Y271-F273 HydrophobicContact CE1-CD1 3.63Å; Y271-F273 AromaticContact CE1-CE1 3.97Å; Y271-F273 HydrophobicContact CE1-CE1 3.97Å; Y271-F273 HydrophobicContact CE1-CG 4.18Å
274	Q	84.5	Confident	78.6	Confident	97 Å²	97	56.2 Å²	56.2	45%	0.453	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-32	180	-175.3	65.9	64.8	0	0	112.7	Y191 Y249 P255 S272	Y191-Q274 HydrophobicContact CE2-CB 3.85Å; Y191-Q274 HydrophobicContact CE2-CG 3.62Å; Y191-Q274 VanDerWaalsContact OH-CG 3.24Å; Y191-Q274 WeakPolarHBondContact OH-CG 3.28Å; Y249-Q274 HydrophobicContact CE2-CB 4.43Å; Y249-Q274 WeakPolarHBondContact OH-CA 3.29Å; Y249-Q274 PolarHBondContact OH-OE1 3.33Å; P255-Q274 HydrophobicContact CB-CB 4.15Å; S272-Q274 PolarHBondContact O-N 2.98Å
275	E	80.1	Confident	79.3	Confident	46 Å²	46	55.2 Å²	55.2	22%	0.215	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.3	176.5	-62.5	164.2	124.8	0	0	111.7	S189 K190 Y191 S272 E277	S189-E275 PolarHBondContact OG-OE2 2.86Å; K190-E275 WeakPolarHBondContact CD-OE1 3.47Å; K190-E275 WeakPolarHBondContact CG-OE1 3.37Å; K190-E275 PolarHBondContact N-OE1 2.87Å; Y191-E275 HydrophobicContact CE2-CG 4.29Å; S272-E275 VanDerWaalsContact CB-OE2 3.25Å; S272-E275 WeakPolarHBondContact CB-OE2 3.47Å; S272-E275 PolarHBondContact O-N 3.35Å; S272-E275 WeakPolarHBondContact OG-CB 3.36Å; S272-E275 WeakPolarHBondContact OG-CG 3.49Å; S272-E275 PolarHBondContact OG-N 3.3Å; S272-E275 PolarHBondContact OG-OE2 2.83Å; E275-E277 PolarHBondContact O-N 3.37Å
276	E	82.3	Confident	80.8	Confident	140 Å²	140	60.2 Å²	60.2	65%	0.654	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	22.9	-177.7	-59.9	-166.7	157	0	0	114.8	Y271 S272	Y271-E276 PolarHBondContact OH-O 3.31Å; S272-E276 WeakPolarHBondContact O-CA 3.44Å; S272-E276 PolarHBondContact O-N 3.32Å
277	E	79.8	Confident	82.6	Confident	111 Å²	111	53.3 Å²	53.3	52%	0.519	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.7	-173.9	-71.9	-178.6	175.3	0	0	111.4	S272 E275	S272-E277 PolarHBondContact N-O 3.09Å; S272-E277 VanDerWaalsContact N-O 3.09Å; S272-E277 PolarHBondContact O-N 3.15Å; E275-E277 PolarHBondContact O-N 3.37Å
278	P	79.5	Confident	83.3	Confident	67 Å²	67	52.2 Å²	52.2	44%	0.435	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.1	165.7	28.8	-33	0	0	0	110	L186 V270	L186-P278 HydrophobicContact CD2-CB 3.65Å; L186-P278 HydrophobicContact CD2-CG 3.52Å; V270-P278 WeakPolarHBondContact O-CA 3.25Å
279	V	84.6	Confident	83.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	158.3	-171.5	-67.9	0	0	0	0	111.2	P187 L256 V270	P187-V279 CarbonylContact O-C 3.56Å; P187-V279 VanDerWaalsContact O-CA 3.3Å; P187-V279 WeakPolarHBondContact O-CA 3.18Å; L256-V279 HydrophobicContact CD2-CG2 4.1Å; V270-V279 HydrophobicContact CB-CG2 4.34Å; V270-V279 WeakPolarHBondContact CB-O 3.23Å; V270-V279 HydrophobicContact CG1-CG2 3.91Å; V270-V279 PolarHBondContact O-N 3.46Å
280	L	82.5	Confident	83.9	Confident	86 Å²	86	52 Å²	52	45%	0.45	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-92.5	138.5	168.5	-64.7	174.5	0	0	0	111	L186 P187 V188 S189	L186-L280 HydrophobicContact CB-CD1 4.23Å; L186-L280 HydrophobicContact CB-CD2 4.16Å; L186-L280 HydrophobicContact CB-CG 3.73Å; L186-L280 HydrophobicContact CD1-CD2 4.13Å; L186-L280 WeakPolarHBondContact O-CD1 3.44Å; P187-L280 PolarHBondContact O-N 3.2Å; V188-L280 WeakPolarHBondContact CA-O 3.26Å; V188-L280 HydrophobicContact CG2-CB 4.22Å; S189-L280 PolarHBondContact N-O 3.45Å
281	D	82.9	Confident	83.9	Confident	14 Å²	14	51.8 Å²	51.8	8%	0.075	27%	0.27	C	S	.	.			trans	-114.4	102.5	171	178.4	6.7	0	0	0	110.2	A192 V270 H283 L284 H287	A192-D281 HydrophobicContact CB-CB 4.33Å; A192-D281 WeakPolarHBondContact CB-OD1 3.24Å; V270-D281 HydrophobicContact CG2-CB 4.31Å; D281-H283 PolarHBondContact O-N 3.38Å; D281-H283 VanDerWaalsContact O-N 3.12Å; D281-H283 WeakPolarHBondContact OD1-CA 3.4Å; D281-H283 PolarHBondContact OD1-N 3.12Å; D281-L284 HydrophobicContact CB-CB 4.08Å; D281-L284 VanDerWaalsContact O-CB 3.3Å; D281-L284 WeakPolarHBondContact O-CB 3.4Å; D281-L284 PolarHBondContact O-N 2.94Å; D281-L284 VanDerWaalsContact O-N 3.17Å; D281-L284 PolarHBondContact OD1-N 3.22Å; D281-L284 WeakPolarHBondContact OD2-CA 3.35Å; D281-H287 IonicContact OD1-CE1 3.66Å; D281-H287 IonicContact OD1-ND1 3.61Å; D281-H287 IonicContact OD2-CE1 3.48Å; D281-H287 PolarHBondContact OD2-CE1 2.86Å; D281-H287 IonicContact OD2-CG 3.82Å; D281-H287 IonicContact OD2-ND1 2.71Å; D281-H287 PolarHBondContact OD2-ND1 3.25Å
282	P	81.8	Confident	83.3	Confident	82 Å²	82	52.3 Å²	52.3	53%	0.532	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.7	177.9	-23.9	34.2	0	0	0	114.4	V188	V188-P282 HydrophobicContact CG1-CG 3.69Å; V188-P282 HydrophobicContact CG2-CG 4.38Å
283	H	84.9	Confident	82.9	Confident	80 Å²	80	53.6 Å²	53.6	37%	0.37	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	16.2	-178.5	-60.5	101.8	0	0	0	112.5	N193 D281 A285 K286 H287	N193-H283 PolarHBondContact OD1-CE1 3.47Å; N193-H283 PolarHBondContact OD1-ND1 3.21Å; D281-H283 PolarHBondContact O-N 3.38Å; D281-H283 VanDerWaalsContact O-N 3.12Å; D281-H283 WeakPolarHBondContact OD1-CA 3.4Å; D281-H283 PolarHBondContact OD1-N 3.12Å; H283-A285 VanDerWaalsContact C-N 3.27Å; H283-A285 PolarHBondContact O-N 3.21Å; H283-K286 WeakPolarHBondContact O-CA 3.33Å; H283-K286 WeakPolarHBondContact O-CB 3.2Å; H283-K286 PolarHBondContact O-N 3.45Å; H283-H287 PolarHBondContact O-N 2.83Å
284	L	84.4	Confident	82.2	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-52.7	-42.9	-174.9	-176.7	61.6	0	0	0	113.1	L224 V258 A268 V270 D281 K286 H287 L288 M295	L224-L284 HydrophobicContact CD1-CD1 4.14Å; V258-L284 HydrophobicContact CG2-CD1 4.41Å; A268-L284 HydrophobicContact CB-CD2 3.75Å; V270-L284 HydrophobicContact CG2-CD1 3.81Å; V270-L284 HydrophobicContact CG2-CD2 4.07Å; D281-L284 HydrophobicContact CB-CB 4.08Å; D281-L284 VanDerWaalsContact O-CB 3.3Å; D281-L284 WeakPolarHBondContact O-CB 3.4Å; D281-L284 PolarHBondContact O-N 2.94Å; D281-L284 VanDerWaalsContact O-N 3.17Å; D281-L284 PolarHBondContact OD1-N 3.22Å; D281-L284 WeakPolarHBondContact OD2-CA 3.35Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.28Å; L284-H287 PolarHBondContact O-N 2.87Å; L284-H287 VanDerWaalsContact O-N 3.15Å; L284-L288 HydrophobicContact CD1-CD1 3.98Å; L284-L288 HydrophobicContact CD1-CG 4Å; L284-L288 HydrophobicContact CD2-CD1 4.46Å; L284-L288 HydrophobicContact CG-CD1 3.87Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 WeakPolarHBondContact O-CG 3.3Å; L284-L288 PolarHBondContact O-N 2.71Å; L284-M295 HydrophobicContact CB-SD 4.18Å; L284-M295 HydrophobicContact CD2-CE 3.92Å; L284-M295 HydrophobicContact CD2-SD 4.02Å; L284-M295 HydrophobicContact CG-CE 4.36Å; L284-M295 HydrophobicContact CG-SD 3.77Å
285	A	80.5	Confident	81.1	Confident	42 Å²	42	52.6 Å²	52.6	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-39.6	178.1	0	0	0	0	0	112.4	H283 A289 M295	H283-A285 VanDerWaalsContact C-N 3.27Å; H283-A285 PolarHBondContact O-N 3.21Å; A285-A289 VanDerWaalsContact O-CB 3.26Å; A285-A289 WeakPolarHBondContact O-CB 3.38Å; A285-A289 PolarHBondContact O-N 3.31Å; A285-M295 WeakPolarHBondContact CA-SD 3.41Å; A285-M295 HydrophobicContact CB-CB 4.19Å; A285-M295 HydrophobicContact CB-CG 4.27Å; A285-M295 HydrophobicContact CB-SD 3.77Å; A285-M295 PolarHBondContact N-SD 3.43Å; A285-M295 VanDerWaalsContact N-SD 3.43Å
286	K	83.8	Confident	79.6	Confident	152 Å²	152	56.8 Å²	56.8	66%	0.661	31%	0.314	S	S	*	.	H	α-helix	trans	-70.4	-42	176.7	-174.8	-178.1	176.3	-172.6	0	111.2	H283 L284 A289 H290	H283-K286 WeakPolarHBondContact O-CA 3.33Å; H283-K286 WeakPolarHBondContact O-CB 3.2Å; H283-K286 PolarHBondContact O-N 3.45Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.28Å; K286-A289 PolarHBondContact O-N 3.16Å; K286-H290 PolarHBondContact O-N 2.87Å
287	H	87.1	Confident	77.8	Confident	13 Å²	13	57.8 Å²	57.8	6%	0.06	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-38.3	178.9	-64.5	151.6	0	0	0	112.6	A192 Q197 L224 D281 H283 L284 H290 F291	A192-H287 PolarHBondContact O-CE1 2.89Å; A192-H287 VanDerWaalsContact O-CE1 3.26Å; Q197-H287 PolarHBondContact NE2-O 3.12Å; L224-H287 HydrophobicContact CD1-CB 4.5Å; L224-H287 HydrophobicContact CD2-CB 4.33Å; D281-H287 IonicContact OD1-CE1 3.66Å; D281-H287 IonicContact OD1-ND1 3.61Å; D281-H287 IonicContact OD2-CE1 3.48Å; D281-H287 PolarHBondContact OD2-CE1 2.86Å; D281-H287 IonicContact OD2-CG 3.82Å; D281-H287 IonicContact OD2-ND1 2.71Å; D281-H287 PolarHBondContact OD2-ND1 3.25Å; H283-H287 PolarHBondContact O-N 2.83Å; L284-H287 PolarHBondContact O-N 2.87Å; L284-H287 VanDerWaalsContact O-N 3.15Å; H287-H290 WeakPolarHBondContact O-CB 3.28Å; H287-F291 WeakPolarHBondContact O-CD2 3.19Å
288	L	86.4	Confident	75.9	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-70.4	-38.7	175.3	-75.4	-179.9	0	0	0	111.9	L222 L224 V258 I263 L284 H290 F291 G292 I293 M295	L222-L288 HydrophobicContact CD2-CD2 4.14Å; L224-L288 HydrophobicContact CD2-CD2 4.12Å; V258-L288 HydrophobicContact CG1-CD2 3.99Å; I263-L288 HydrophobicContact CD1-CD1 4.27Å; I263-L288 HydrophobicContact CD1-CD2 4.2Å; I263-L288 HydrophobicContact CG2-CD1 3.91Å; L284-L288 HydrophobicContact CD1-CD1 3.98Å; L284-L288 HydrophobicContact CD1-CG 4Å; L284-L288 HydrophobicContact CD2-CD1 4.46Å; L284-L288 HydrophobicContact CG-CD1 3.87Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CB 3.41Å; L284-L288 WeakPolarHBondContact O-CG 3.3Å; L284-L288 PolarHBondContact O-N 2.71Å; L288-H290 PolarHBondContact O-N 3.4Å; L288-F291 PolarHBondContact O-N 3.07Å; L288-G292 PolarHBondContact O-N 2.93Å; L288-I293 CarbonylContact C-O 3.56Å; L288-I293 HydrophobicContact CB-CB 4Å; L288-I293 HydrophobicContact CB-CG2 4.12Å; L288-I293 WeakPolarHBondContact CB-O 3.39Å; L288-I293 HydrophobicContact CD1-CG2 4.34Å; L288-I293 HydrophobicContact CD2-CB 4.36Å; L288-I293 HydrophobicContact CD2-CD1 3.96Å; L288-I293 HydrophobicContact CD2-CG2 4.36Å; L288-I293 PolarHBondContact O-N 3.14Å; L288-M295 HydrophobicContact CB-CG 4.42Å; L288-M295 HydrophobicContact CD1-CG 3.64Å; L288-M295 HydrophobicContact CD1-SD 3.67Å
289	A	83.9	Confident	73.5	Confident	49 Å²	49	61.4 Å²	61.4	41%	0.405	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-31.9	177.9	0	0	0	0	0	112.6	A285 K286 F291 G292 I293	A285-A289 VanDerWaalsContact O-CB 3.26Å; A285-A289 WeakPolarHBondContact O-CB 3.38Å; A285-A289 PolarHBondContact O-N 3.31Å; K286-A289 PolarHBondContact O-N 3.16Å; A289-F291 VanDerWaalsContact C-N 3.25Å; A289-F291 PolarHBondContact O-N 3.33Å; A289-G292 PolarHBondContact O-N 3.46Å; A289-I293 WeakPolarHBondContact CA-O 3.37Å; A289-I293 PolarHBondContact N-O 2.94Å
290	H	84.8	Confident	70.9	Confident	48 Å²	48	64 Å²	64	22%	0.222	36%	0.358	C	S	.	.	H	α-helix	trans	-55	-40.9	174.1	-175	71.1	0	0	0	112.4	Q197 L198 D199 R203 K286 H287 L288 G292	Q197-H290 VanDerWaalsContact OE1-CB 3.27Å; L198-H290 PolarHBondContact O-NE2 2.82Å; D199-H290 IonicContact OD1-CE1 3.82Å; D199-H290 PolarHBondContact OD1-CE1 2.83Å; R203-H290 PolarHBondContact NH1-O 2.94Å; K286-H290 PolarHBondContact O-N 2.87Å; H287-H290 WeakPolarHBondContact O-CB 3.28Å; L288-H290 PolarHBondContact O-N 3.4Å; H290-G292 VanDerWaalsContact C-N 3.29Å; H290-G292 PolarHBondContact O-N 3.2Å
291	F	84.8	Confident	68.3	Low	0 Å²	0	66 Å²	66	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	6.2	178.6	-59.6	-65.6	0	0	0	113.9	Q197 R203 I204 L224 G227 H287 L288 A289	Q197-F291 VanDerWaalsContact NE2-CE2 3.34Å; R203-F291 WeakPolarHBondContact CA-O 3.35Å; I204-F291 HydrophobicContact CG1-CB 4Å; I204-F291 PolarHBondContact N-O 3.02Å; I204-F291 VanDerWaalsContact N-O 3.12Å; L224-F291 WeakPolarHBondContact O-CE2 3.38Å; G227-F291 VanDerWaalsContact N-CE1 3.31Å; G227-F291 VanDerWaalsContact N-CZ 3.29Å; H287-F291 WeakPolarHBondContact O-CD2 3.19Å; L288-F291 PolarHBondContact O-N 3.07Å; A289-F291 VanDerWaalsContact C-N 3.25Å; A289-F291 PolarHBondContact O-N 3.33Å
292	G	77	Confident	65.8	Low	46 Å²	46	73.8 Å²	73.8	47%	0.474	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	18.1	-178.4	0	0	0	0	0	114.2	L288 A289 H290	L288-G292 PolarHBondContact O-N 2.93Å; A289-G292 PolarHBondContact O-N 3.46Å; H290-G292 VanDerWaalsContact C-N 3.29Å; H290-G292 PolarHBondContact O-N 3.2Å
293	I	79.5	Confident	63.5	Low	26 Å²	26	77.6 Å²	77.6	13%	0.133	43%	0.425	C	S	.	.			trans	-101.2	107.3	174.6	-59.2	168.5	0	0	0	108.1	I204 L222 L288 A289	I204-I293 HydrophobicContact CB-CD1 3.89Å; I204-I293 HydrophobicContact CB-CG1 4.26Å; I204-I293 HydrophobicContact CG2-CD1 3.88Å; L222-I293 HydrophobicContact CD2-CD1 3.79Å; L288-I293 CarbonylContact C-O 3.56Å; L288-I293 HydrophobicContact CB-CB 4Å; L288-I293 HydrophobicContact CB-CG2 4.12Å; L288-I293 WeakPolarHBondContact CB-O 3.39Å; L288-I293 HydrophobicContact CD1-CG2 4.34Å; L288-I293 HydrophobicContact CD2-CB 4.36Å; L288-I293 HydrophobicContact CD2-CD1 3.96Å; L288-I293 HydrophobicContact CD2-CG2 4.36Å; L288-I293 PolarHBondContact O-N 3.14Å; A289-I293 WeakPolarHBondContact CA-O 3.37Å; A289-I293 PolarHBondContact N-O 2.94Å
294	D	71.1	Confident	60.7	Low	74 Å²	74	77.4 Å²	77.4	40%	0.396	44%	0.444	S	S	.	.			trans	-96.6	111.5	178.6	-164.6	-31.8	0	0	0	110.5	L296 H297	D294-L296 VanDerWaalsContact C-N 3.29Å; D294-L296 PolarHBondContact O-N 3.32Å; D294-L296 WeakPolarHBondContact OD1-CA 3.45Å; D294-L296 WeakPolarHBondContact OD1-CB 3.33Å; D294-L296 PolarHBondContact OD1-N 2.9Å; D294-H297 HydrophobicContact CB-CB 4.1Å; D294-H297 PolarHBondContact OD1-N 3.2Å; D294-H297 IonicContact OD2-CD2 2.7Å; D294-H297 PolarHBondContact OD2-CD2 2.78Å
295	M	62.3	Low	58.2	Low	15 Å²	15	84.9 Å²	84.9	7%	0.074	48%	0.484	C	S	.	.	S	Bend	trans	-67.5	-29.7	177.2	-65.7	-175.1	75.4	0	0	112.3	T264 L284 A285 L288	T264-M295 WeakPolarHBondContact O-CE 3.44Å; L284-M295 HydrophobicContact CB-SD 4.18Å; L284-M295 HydrophobicContact CD2-CE 3.92Å; L284-M295 HydrophobicContact CD2-SD 4.02Å; L284-M295 HydrophobicContact CG-CE 4.36Å; L284-M295 HydrophobicContact CG-SD 3.77Å; A285-M295 WeakPolarHBondContact CA-SD 3.41Å; A285-M295 HydrophobicContact CB-CB 4.19Å; A285-M295 HydrophobicContact CB-CG 4.27Å; A285-M295 HydrophobicContact CB-SD 3.77Å; A285-M295 PolarHBondContact N-SD 3.43Å; A285-M295 VanDerWaalsContact N-SD 3.43Å; L288-M295 HydrophobicContact CB-CG 4.42Å; L288-M295 HydrophobicContact CD1-CG 3.64Å; L288-M295 HydrophobicContact CD1-SD 3.67Å
296	L	47.1	Very low	55.8	Low	134 Å²	134	91.7 Å²	91.7	70%	0.702	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-86.1	-19.9	-174.2	-72.2	164.4	0	0	0	112.5	D294 M298 H299	D294-L296 VanDerWaalsContact C-N 3.29Å; D294-L296 PolarHBondContact O-N 3.32Å; D294-L296 WeakPolarHBondContact OD1-CA 3.45Å; D294-L296 WeakPolarHBondContact OD1-CB 3.33Å; D294-L296 PolarHBondContact OD1-N 2.9Å; L296-M298 PolarHBondContact O-N 3.44Å; L296-H299 PolarHBondContact O-N 2.79Å
297	H	44.3	Very low	53.2	Low	160 Å²	160	91.8 Å²	91.8	74%	0.741	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-76.8	1	171	-98.9	-74.1	0	0	0	114	D294	D294-H297 HydrophobicContact CB-CB 4.1Å; D294-H297 PolarHBondContact OD1-N 3.2Å; D294-H297 IonicContact OD2-CD2 2.7Å; D294-H297 PolarHBondContact OD2-CD2 2.78Å
298	M	41.2	Very low	50.6	Low	115 Å²	115	98.6 Å²	98.6	57%	0.567	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-92.5	-0.7	170.4	-74.2	-162.2	176.3	0	0	114.1	P265 L296	P265-M298 HydrophobicContact CG-CB 3.69Å; L296-M298 PolarHBondContact O-N 3.44Å
299	H	29.1	Very low	48	Very low	140 Å²	140	106.6 Å²	106.6	65%	0.648	60%	0.596	S	S	*	*	S	Bend	trans	-131.8	138	157.9	-105.9	51.4	0	0	0	108.6	L296 T301	L296-H299 PolarHBondContact O-N 2.79Å; H299-T301 PolarHBondContact O-N 2.85Å
300	G	29.1	Very low	45.7	Very low	57 Å²	57	111.1 Å²	111.1	59%	0.588	61%	0.612	S	S	*	*			trans	-49.8	135.2	165.8	0	0	0	0	0	109.6	E302	G300-E302 PolarHBondContact O-N 3.21Å; G300-E302 VanDerWaalsContact O-N 3.14Å
301	T	27.5	Very low	43.1	Very low	127 Å²	127	118 Å²	118	78%	0.779	64%	0.641	S	S	*	*			trans	-36.7	114.1	168.8	29.8	0	0	0	0	112.5	H299	H299-T301 PolarHBondContact O-N 2.85Å
302	E	32.3	Very low	40.7	Very low	178 Å²	178	123 Å²	123	83%	0.832	67%	0.673	S	S	*	*			trans	-120.2	96	152.7	-71.5	-162	170.6	0	0	109.8	G300	G300-E302 PolarHBondContact O-N 3.21Å; G300-E302 VanDerWaalsContact O-N 3.14Å
303	N	33	Very low	39.2	Very low	162 Å²	162	127.5 Å²	127.5	87%	0.866	68%	0.676	S	S	*	*			trans	51	115.3	144.6	-63	-25.9	0	0	0	122.2
304	G	25.4	Very low	37.8	Very low	75 Å²	75	130.6 Å²	130.6	77%	0.773	70%	0.696	S	S	*	*			trans	-160.7	73.8	154.4	0	0	0	0	0	112.8
305	L	31.8	Very low	37	Very low	170 Å²	170	129 Å²	129	89%	0.89	69%	0.69	S	S	*	*			trans	45.9	123.1	155.7	-69.2	158.9	0	0	0	121.3
306	Q	30.3	Very low	36.8	Very low	184 Å²	184	129.2 Å²	129.2	86%	0.86	69%	0.691	S	S	*	*			trans	87.5	83.9	148.9	-108.5	168.1	18.7	0	0	119.2
307	D	28.4	Very low	37.5	Very low	155 Å²	155	128.2 Å²	128.2	83%	0.829	68%	0.678	S	S	*	*				-159.1	121.9	105.4	-125.4	-12.2	0	0	0	110.1	D309	D307-D309 PolarHBondContact O-N 3.42Å
308	N	32.7	Very low	38.2	Very low	155 Å²	155	123.2 Å²	123.2	83%	0.829	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	98.2	-178.4	-75.6	-31.7	0	0	0	109
309	D	32.8	Very low	39.2	Very low	169 Å²	169	120.5 Å²	120.5	90%	0.904	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.5	20.9	147.5	-90	-20.1	0	0	0	114.6	D307	D307-D309 PolarHBondContact O-N 3.42Å
310	I	35.1	Very low	41	Very low	144 Å²	144	113.9 Å²	113.9	74%	0.738	61%	0.614	S	S	*	*			trans	-108	110.3	171.7	-57	174.6	0	0	0	108.3
311	K	29.9	Very low	42.9	Very low	191 Å²	191	113.2 Å²	113.2	83%	0.83	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-54.7	126.1	167.7	-74.7	-178.8	178.3	178.2	0	108.2	R313	K311-R313 PolarHBondContact O-N 3.14Å
312	P	34.3	Very low	44.8	Very low	105 Å²	105	107.6 Å²	107.6	68%	0.682	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-59.5	133.2	178.3	21.7	-29.7	0	0	0	109.6	V314	P312-V314 PolarHBondContact O-N 3.38Å
313	R	46.1	Very low	45.8	Very low	142 Å²	142	102.3 Å²	102.3	54%	0.536	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-72.1	120.9	-177.1	-65.4	170.7	172.7	-146.1	-14.6	108.5	K311 S315 L531	K311-R313 PolarHBondContact O-N 3.14Å; R313-S315 PolarHBondContact O-N 2.97Å; R313-L531 PolarHBondContact NH1-O 3.11Å; R313-L531 PolarHBondContact NH2-O 3.35Å; R313-L531 VanDerWaalsContact NH2-O 3.14Å
314	V	50.6	Low	46.9	Very low	91 Å²	91	98.4 Å²	98.4	55%	0.552	54%	0.541	S	S	*	.			trans	-74.8	111.6	-179.4	-171.9	0	0	0	0	109.5	P312 E318 V319	P312-V314 PolarHBondContact O-N 3.38Å; V314-E318 WeakPolarHBondContact CA-OE2 3.48Å; V314-E318 HydrophobicContact CG1-CB 4.12Å; V314-V319 HydrophobicContact CG1-CG2 3.57Å
315	S	54.7	Low	48.6	Very low	39 Å²	39	97.6 Å²	97.6	27%	0.273	52%	0.522	S	S	.	.			trans	-76.2	155.6	177.9	65.6	0	0	0	0	112.2	R313 W317 E318 V319	R313-S315 PolarHBondContact O-N 2.97Å; S315-W317 PolarHBondContact O-N 3.32Å; S315-W317 VanDerWaalsContact O-N 3.12Å; S315-E318 WeakPolarHBondContact CB-OE1 3.45Å; S315-E318 PolarHBondContact N-OE2 2.84Å; S315-E318 PolarHBondContact O-N 3.11Å; S315-E318 VanDerWaalsContact OG-CG 3.28Å; S315-E318 WeakPolarHBondContact OG-CG 3.26Å; S315-E318 PolarHBondContact OG-N 2.92Å; S315-E318 PolarHBondContact OG-OE1 3.39Å; S315-V319 PolarHBondContact O-N 3.37Å; S315-V319 VanDerWaalsContact O-N 3.09Å
316	E	57.3	Low	50.4	Low	21 Å²	21	99.2 Å²	99.2	10%	0.098	52%	0.521	C	S	.	.	H	α-helix	trans	-51.6	-34.7	170.7	177.1	-177.4	-177.3	0	0	111.2	V319 I320 K598 M815 G816	E316-V319 PolarHBondContact O-N 2.89Å; E316-I320 HydrophobicContact CG-CD1 3.65Å; E316-I320 HydrophobicContact CG-CG1 4.43Å; E316-I320 WeakPolarHBondContact O-CB 3.47Å; E316-I320 WeakPolarHBondContact O-CG1 3.3Å; E316-I320 PolarHBondContact O-N 3.36Å; E316-K598 IonicContact OE1-NZ 2.71Å; E316-M815 WeakPolarHBondContact OE1-CA 3.43Å; E316-G816 VanDerWaalsContact CD-N 3.26Å; E316-G816 PolarHBondContact OE1-N 3.28Å; E316-G816 WeakPolarHBondContact OE2-CA 3.47Å; E316-G816 PolarHBondContact OE2-N 2.9Å; E316-G816 VanDerWaalsContact OE2-N 3.11Å
317	W	62.5	Low	52.8	Low	113 Å²	113	91.9 Å²	91.9	43%	0.428	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-45.2	177.9	-70.2	72.1	0	0	0	112.7	S315 I320 Q321 M815 H823	S315-W317 PolarHBondContact O-N 3.32Å; S315-W317 VanDerWaalsContact O-N 3.12Å; W317-I320 PolarHBondContact O-N 2.69Å; W317-Q321 VanDerWaalsContact O-CB 3.27Å; W317-Q321 WeakPolarHBondContact O-CB 3.44Å; W317-Q321 WeakPolarHBondContact O-CG 3.27Å; W317-Q321 PolarHBondContact O-N 3.47Å; W317-M815 HydrophobicContact CB-CE 3.86Å; W317-M815 HydrophobicContact CD2-CE 3.55Å; W317-M815 HydrophobicContact CE3-CE 3.52Å; W317-M815 HydrophobicContact CG-CE 3.73Å; W317-M815 HydrophobicContact CZ3-CE 4.28Å; W317-H823 HydrophobicContact CH2-CB 3.39Å; W317-H823 HydrophobicContact CZ2-CB 4.05Å; W317-H823 HydrophobicContact CZ3-CB 3.85Å
318	E	58.4	Low	55.5	Low	54 Å²	54	91.6 Å²	91.6	25%	0.252	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-36.7	177	-74.3	155.2	-128.7	0	0	113.2	V314 S315 E322 S323	V314-E318 WeakPolarHBondContact CA-OE2 3.48Å; V314-E318 HydrophobicContact CG1-CB 4.12Å; S315-E318 WeakPolarHBondContact CB-OE1 3.45Å; S315-E318 PolarHBondContact N-OE2 2.84Å; S315-E318 PolarHBondContact O-N 3.11Å; S315-E318 VanDerWaalsContact OG-CG 3.28Å; S315-E318 WeakPolarHBondContact OG-CG 3.26Å; S315-E318 PolarHBondContact OG-N 2.92Å; S315-E318 PolarHBondContact OG-OE1 3.39Å; E318-E322 CarbonylContact O-C 3.59Å; E318-E322 WeakPolarHBondContact O-CA 3.32Å; E318-E322 PolarHBondContact O-N 2.63Å; E318-S323 PolarHBondContact O-N 3.44Å
319	V	61.5	Low	58.1	Low	59 Å²	59	87.2 Å²	87.2	36%	0.358	46%	0.459	S	S	.	.	H	α-helix	trans	-66.7	-49.3	176.1	-180	0	0	0	0	110	V314 S315 E316 E322 L852	V314-V319 HydrophobicContact CG1-CG2 3.57Å; S315-V319 PolarHBondContact O-N 3.37Å; S315-V319 VanDerWaalsContact O-N 3.09Å; E316-V319 PolarHBondContact O-N 2.89Å; V319-E322 PolarHBondContact O-N 2.95Å; V319-L852 HydrophobicContact CG1-CD1 4.15Å
320	I	67.7	Low	60.7	Low	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-75	-33.3	-171.2	-69.7	174.9	0	0	0	112.2	E316 W317 E322 M815 I825 H827 P849 L852	E316-I320 HydrophobicContact CG-CD1 3.65Å; E316-I320 HydrophobicContact CG-CG1 4.43Å; E316-I320 WeakPolarHBondContact O-CB 3.47Å; E316-I320 WeakPolarHBondContact O-CG1 3.3Å; E316-I320 PolarHBondContact O-N 3.36Å; W317-I320 PolarHBondContact O-N 2.69Å; I320-E322 VanDerWaalsContact C-N 3.34Å; I320-M815 HydrophobicContact CB-CE 4.05Å; I320-M815 HydrophobicContact CB-CG 4.16Å; I320-M815 HydrophobicContact CB-SD 4.31Å; I320-M815 HydrophobicContact CD1-CB 4.44Å; I320-M815 HydrophobicContact CD1-CG 3.79Å; I320-M815 HydrophobicContact CG2-CE 4.09Å; I320-M815 HydrophobicContact CG2-CG 3.64Å; I320-M815 HydrophobicContact CG2-SD 3.7Å; I320-I825 HydrophobicContact CG2-CD1 3.28Å; I320-I825 HydrophobicContact CG2-CG1 3.82Å; I320-I825 WeakPolarHBondContact O-CD1 3.36Å; I320-H827 PolarHBondContact O-CE1 2.89Å; I320-P849 HydrophobicContact CB-CG 4.36Å; I320-P849 HydrophobicContact CG1-CB 4.28Å; I320-P849 HydrophobicContact CG1-CG 4.29Å; I320-P849 HydrophobicContact CG2-CG 4.26Å; I320-L852 HydrophobicContact CD1-CB 4.11Å; I320-L852 HydrophobicContact CD1-CD1 3.96Å; I320-L852 HydrophobicContact CG1-CB 4.31Å; I320-L852 HydrophobicContact CG1-CD1 3.7Å
321	Q	68.3	Low	63.3	Low	43 Å²	43	75.8 Å²	75.8	20%	0.201	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.2	174.7	-61.8	-178.5	6.2	0	0	113.2	W317 S323 M815 I836 N838	W317-Q321 VanDerWaalsContact O-CB 3.27Å; W317-Q321 WeakPolarHBondContact O-CB 3.44Å; W317-Q321 WeakPolarHBondContact O-CG 3.27Å; W317-Q321 PolarHBondContact O-N 3.47Å; Q321-S323 WeakPolarHBondContact CB-OG 3.4Å; Q321-S323 PolarHBondContact O-N 3.07Å; Q321-M815 HydrophobicContact CG-CE 3.76Å; Q321-M815 HydrophobicContact CG-SD 4.27Å; Q321-I836 HydrophobicContact CB-CD1 4.47Å; Q321-N838 VanDerWaalsContact CD-ND2 3.31Å; Q321-N838 PolarHBondContact NE2-ND2 3.11Å; Q321-N838 VanDerWaalsContact NE2-ND2 3.15Å
322	E	67	Low	66.2	Low	9 Å²	9	67.3 Å²	67.3	4%	0.042	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	34.8	-170.9	-57.2	175.8	-117.6	0	0	113.2	E318 V319 I320 G324 T325 L327 S845 E846 R847	E318-E322 CarbonylContact O-C 3.59Å; E318-E322 WeakPolarHBondContact O-CA 3.32Å; E318-E322 PolarHBondContact O-N 2.63Å; V319-E322 PolarHBondContact O-N 2.95Å; I320-E322 VanDerWaalsContact C-N 3.34Å; E322-G324 PolarHBondContact O-N 2.82Å; E322-T325 PolarHBondContact O-N 3.38Å; E322-T325 PolarHBondContact O-OG1 3.33Å; E322-L327 HydrophobicContact CB-CD1 4.15Å; E322-L327 HydrophobicContact CB-CD2 4.03Å; E322-L327 HydrophobicContact CB-CG 4.35Å; E322-S845 WeakPolarHBondContact OE1-CA 3.39Å; E322-S845 WeakPolarHBondContact OE1-CB 3.45Å; E322-S845 PolarHBondContact OE1-OG 2.96Å; E322-E846 PolarHBondContact OE1-N 2.93Å; E322-E846 PolarHBondContact OE2-N 2.92Å; E322-R847 PolarHBondContact OE2-N 2.9Å
323	S	54.8	Low	69	Low	68 Å²	68	66.7 Å²	66.7	48%	0.476	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.7	-171.5	-55.3	0	0	0	0	114.2	E318 Q321 T325	E318-S323 PolarHBondContact O-N 3.44Å; Q321-S323 WeakPolarHBondContact CB-OG 3.4Å; Q321-S323 PolarHBondContact O-N 3.07Å; S323-T325 PolarHBondContact O-N 3.04Å
324	G	54.4	Low	71.2	Confident	79 Å²	79	60.2 Å²	60.2	81%	0.814	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.2	172.7	0	0	0	0	0	114.5	E322	E322-G324 PolarHBondContact O-N 2.82Å
325	T	63	Low	73.2	Confident	59 Å²	59	56.5 Å²	56.5	36%	0.362	31%	0.312	S	S	.	.	S	Bend	trans	-114.5	133.8	-178.1	-28.4	0	0	0	0	109	E322 S323 L327	E322-T325 PolarHBondContact O-N 3.38Å; E322-T325 PolarHBondContact O-OG1 3.33Å; S323-T325 PolarHBondContact O-N 3.04Å; T325-L327 PolarHBondContact O-N 3.33Å
326	K	69.6	Low	75.1	Confident	204 Å²	204	54.7 Å²	54.7	89%	0.887	30%	0.299	S	S	*	.			trans	-73.5	81.7	174.5	-69.8	-172.2	180	-177.7	0	109.6
327	L	80.3	Confident	76.8	Confident	30 Å²	30	53.7 Å²	53.7	16%	0.157	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63.3	142.3	178.7	-56.5	-175	0	0	0	111	E322 T325 P329 I836 C843 A844 E846	E322-L327 HydrophobicContact CB-CD1 4.15Å; E322-L327 HydrophobicContact CB-CD2 4.03Å; E322-L327 HydrophobicContact CB-CG 4.35Å; T325-L327 PolarHBondContact O-N 3.33Å; L327-P329 WeakPolarHBondContact O-CD 3.33Å; L327-I836 HydrophobicContact CD1-CG2 3.8Å; L327-C843 HydrophobicContact CB-CB 3.7Å; L327-C843 HydrophobicContact CD1-CB 3.93Å; L327-A844 WeakPolarHBondContact CD2-O 3.2Å; L327-E846 HydrophobicContact CD2-CG 4.49Å
328	K	84.8	Confident	78.2	Confident	148 Å²	148	48.3 Å²	48.3	64%	0.643	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-79.4	122	179.1	-177.7	178.8	175.4	-179.4	0	110.1	C843 A844	K328-C843 WeakPolarHBondContact O-CA 3.33Å; K328-A844 PolarHBondContact O-N 3.02Å
329	P	86.8	Confident	79.7	Confident	63 Å²	63	47.2 Å²	47.2	41%	0.409	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-60	141.4	171.9	-23.2	34.2	0	0	0	111.5	L327 Y331	L327-P329 WeakPolarHBondContact O-CD 3.33Å; P329-Y331 HydrophobicContact CB-CE2 3.89Å
330	M	88.2	Confident	80.8	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.069	27%	0.268	C	S	.	.			trans	-113.2	139.5	-177.9	-69.3	-60.2	-60.9	0	0	110	Y335 V842 A844	M330-Y335 HydrophobicContact CB-CD1 3.95Å; M330-Y335 HydrophobicContact CB-CG 4.19Å; M330-Y335 HydrophobicContact CE-CD1 4.27Å; M330-Y335 HydrophobicContact CE-CE1 3.95Å; M330-Y335 HydrophobicContact CE-CE2 4.2Å; M330-V842 HydrophobicContact CB-CG1 4.16Å; M330-V842 PolarHBondContact N-O 3.46Å; M330-A844 HydrophobicContact CG-CB 4.15Å; M330-A844 HydrophobicContact SD-CB 4.12Å
331	Y	89.8	Confident	81.4	Confident	59 Å²	59	49 Å²	49	23%	0.231	28%	0.276	C	S	.	.			trans	-136.3	158	-179.6	-57.4	-81.9	0	0	0	111.2	P329 Y335 S400 P402 P419 Q421	P329-Y331 HydrophobicContact CB-CE2 3.89Å; Y331-Y335 WeakPolarHBondContact O-CD2 3.41Å; Y331-S400 VanDerWaalsContact CA-OG 3.27Å; Y331-S400 WeakPolarHBondContact CA-OG 3.43Å; Y331-P402 HydrophobicContact CD2-CB 4.14Å; Y331-P402 HydrophobicContact CE2-CB 4.44Å; Y331-P402 HydrophobicContact CG-CB 4.31Å; Y331-P419 PolarHBondContact OH-O 3.46Å; Y331-Q421 HydrophobicContact CD1-CG 4.36Å; Y331-Q421 HydrophobicContact CE1-CB 4.11Å; Y331-Q421 HydrophobicContact CE1-CG 4.26Å
332	G	89.8	Confident	81.4	Confident	14 Å²	14	48.8 Å²	48.8	14%	0.144	29%	0.286	C	S	.	.	S	Bend	trans	110.6	-167.2	172.9	0	0	0	0	0	114.2	G334 Y335 S400	G332-G334 PolarHBondContact O-N 2.86Å; G332-Y335 PolarHBondContact O-N 2.85Å; G332-S400 WeakPolarHBondContact CA-O 3.29Å; G332-S400 PolarHBondContact N-O 3.39Å; G332-S400 PolarHBondContact N-OG 3.12Å
333	P	93.1	Very high	82	Confident	91 Å²	91	51.1 Å²	51.1	59%	0.591	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	124	-179.6	-28.2	37.3	0	0	0	112.2	Y335 L395	P333-Y335 VanDerWaalsContact C-N 3.26Å; P333-Y335 WeakPolarHBondContact O-CD2 3.45Å; P333-Y335 PolarHBondContact O-N 3.23Å; P333-L395 WeakPolarHBondContact CA-O 3.47Å; P333-L395 VanDerWaalsContact CB-O 3.28Å; P333-L395 WeakPolarHBondContact CB-O 3.48Å
334	G	92.3	Very high	83.6	Confident	7 Å²	7	47.9 Å²	47.9	7%	0.072	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	6.7	179.9	0	0	0	0	0	115.1	G332 L394 K830 Y837	G332-G334 PolarHBondContact O-N 2.86Å; G334-L394 VanDerWaalsContact CA-O 3.26Å; G334-L394 WeakPolarHBondContact CA-O 3.26Å; G334-L394 PolarHBondContact N-O 2.89Å; G334-L394 VanDerWaalsContact N-O 3.13Å; G334-K830 PolarHBondContact O-NZ 3.02Å; G334-Y837 PolarHBondContact O-OH 2.77Å
335	Y	94.3	Very high	85.3	Confident	13 Å²	13	44.3 Å²	44.3	5%	0.051	24%	0.238	C	C	.	.			trans	-114.4	25.5	176.2	-61.8	-67.4	0	0	0	112.4	M330 Y331 G332 P333 S400 Q421 K830 E831 R833 V835 V842	M330-Y335 HydrophobicContact CB-CD1 3.95Å; M330-Y335 HydrophobicContact CB-CG 4.19Å; M330-Y335 HydrophobicContact CE-CD1 4.27Å; M330-Y335 HydrophobicContact CE-CE1 3.95Å; M330-Y335 HydrophobicContact CE-CE2 4.2Å; Y331-Y335 WeakPolarHBondContact O-CD2 3.41Å; G332-Y335 PolarHBondContact O-N 2.85Å; P333-Y335 VanDerWaalsContact C-N 3.26Å; P333-Y335 WeakPolarHBondContact O-CD2 3.45Å; P333-Y335 PolarHBondContact O-N 3.23Å; Y335-S400 PolarHBondContact O-OG 3.1Å; Y335-S400 VanDerWaalsContact O-OG 3.04Å; Y335-Q421 PolarHBondContact O-OE1 3.21Å; Y335-Q421 VanDerWaalsContact O-OE1 3.04Å; Y335-K830 HydrophobicContact CE1-CD 4.16Å; Y335-E831 PolarHBondContact OH-OE2 3.29Å; Y335-R833 PolarHBondContact OH-NH2 2.81Å; Y335-V835 HydrophobicContact CD1-CG1 4.22Å; Y335-V835 HydrophobicContact CE1-CG1 4.31Å; Y335-V835 HydrophobicContact CE1-CG2 4.02Å; Y335-V842 HydrophobicContact CD1-CG1 4.36Å
336	T	94.1	Very high	86.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.			trans	-82.5	127.4	178.3	-55.2	0	0	0	0	111.6	Q352 G393 L394 S400 I424	T336-Q352 PolarHBondContact O-NE2 3.2Å; T336-G393 PolarHBondContact OG1-O 2.76Å; T336-L394 HydrophobicContact CG2-CD2 4.44Å; T336-L394 WeakPolarHBondContact O-CD2 3.37Å; T336-L394 PolarHBondContact OG1-O 2.83Å; T336-S400 WeakPolarHBondContact OG1-CB 3.33Å; T336-I424 HydrophobicContact CG2-CD1 4.32Å; T336-I424 HydrophobicContact CG2-CG1 4.3Å; T336-I424 HydrophobicContact CG2-CG2 3.92Å
337	G	92.3	Very high	88	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.			trans	-79.3	158.5	171.1	0	0	0	0	0	114.3	Q421 G423 I424 D839	G337-Q421 VanDerWaalsContact N-NE2 3.13Å; G337-G423 CarbonylContact O-C 3.56Å; G337-G423 WeakPolarHBondContact O-CA 3.45Å; G337-I424 PolarHBondContact O-N 3.03Å; G337-D839 CarbonylContact C-O 3.52Å; G337-D839 VanDerWaalsContact CA-O 3.3Å; G337-D839 WeakPolarHBondContact CA-O 3.36Å
338	L	92.8	Very high	88.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-112.2	120.5	179.3	-71.4	167.7	0	0	0	110.8	Q352 L390 L394 I424 P426 D839 H840	L338-Q352 HydrophobicContact CD1-CG 3.99Å; L338-L390 HydrophobicContact CD2-CD1 3.88Å; L338-L394 HydrophobicContact CD1-CD2 4.29Å; L338-L394 HydrophobicContact CD2-CD2 3.98Å; L338-L394 HydrophobicContact CG-CD2 3.98Å; L338-I424 CarbonylContact C-O 3.5Å; L338-I424 WeakPolarHBondContact CA-O 3.39Å; L338-I424 HydrophobicContact CD2-CD1 3.72Å; L338-I424 HydrophobicContact CD2-CG1 3.4Å; L338-I424 VanDerWaalsContact CD2-CG1 3.4Å; L338-P426 HydrophobicContact CD2-CB 4.35Å; L338-P426 HydrophobicContact CD2-CG 4.02Å; L338-D839 PolarHBondContact N-O 3.42Å; L338-D839 CarbonylContact O-C 3.59Å; L338-D839 WeakPolarHBondContact O-CA 3.31Å; L338-D839 VanDerWaalsContact O-CB 3.26Å; L338-D839 WeakPolarHBondContact O-CB 3.5Å; L338-H840 PolarHBondContact O-N 2.86Å
339	K	89.1	Confident	89.2	Confident	31 Å²	31	23.7 Å²	23.7	14%	0.135	14%	0.143	C	C	.	.			trans	-64	136.4	177.1	-68	-167.3	176.8	-167.1	0	111	D123 N422 I424	D123-K339 IonicContact OD1-NZ 3.91Å; D123-K339 PolarHBondContact OD1-NZ 2.84Å; D123-K339 IonicContact OD2-NZ 3.32Å; D123-K339 PolarHBondContact OD2-NZ 2.88Å; K339-N422 WeakPolarHBondContact CE-O 3.11Å; K339-N422 WeakPolarHBondContact CG-O 3.4Å; K339-I424 PolarHBondContact N-O 2.77Å
340	N	84.3	Confident	89.8	Confident	65 Å²	65	20.7 Å²	20.7	35%	0.348	12%	0.123	S	C	.	.			trans	-69.3	135.4	174.5	-163.1	-53.7	0	0	0	110.4	G342 N343 S344 D839	N340-G342 WeakPolarHBondContact OD1-CA 3.27Å; N340-G342 PolarHBondContact OD1-N 2.89Å; N340-N343 PolarHBondContact OD1-N 2.88Å; N340-N343 VanDerWaalsContact OD1-N 3.09Å; N340-S344 PolarHBondContact OD1-N 3.21Å; N340-D839 HydrophobicContact CB-CB 4.43Å; N340-D839 PolarHBondContact ND2-OD2 3.26Å
341	L	81.1	Confident	90.2	Very high	33 Å²	33	20 Å²	20	17%	0.173	12%	0.12	C	C	.	.			trans	-111.2	31.3	-177	-55.2	-179.5	0	0	0	112.3	S344 S425 P426 R427 K430	L341-S344 PolarHBondContact N-OG 3.25Å; L341-S425 VanDerWaalsContact CD2-OG 3.25Å; L341-S425 WeakPolarHBondContact CD2-OG 3.39Å; L341-P426 HydrophobicContact CD1-CG 4.12Å; L341-R427 HydrophobicContact CD1-CB 4.4Å; L341-R427 HydrophobicContact CD1-CG 3.87Å; L341-R427 HydrophobicContact CD2-CG 3.63Å; L341-R427 HydrophobicContact CG-CG 4.4Å; L341-K430 HydrophobicContact CB-CD 4.25Å; L341-K430 HydrophobicContact CD1-CB 4.18Å; L341-K430 HydrophobicContact CD1-CD 3.9Å; L341-K430 PolarHBondContact O-NZ 3.02Å
342	G	67.2	Low	90.6	Very high	38 Å²	38	17.5 Å²	17.5	39%	0.392	11%	0.11	S	C	.	.	S	Bend	trans	74.9	93.5	-168.5	0	0	0	0	0	110.5	N340 S344	N340-G342 WeakPolarHBondContact OD1-CA 3.27Å; N340-G342 PolarHBondContact OD1-N 2.89Å; G342-S344 PolarHBondContact O-N 2.92Å
343	N	81	Confident	90.9	Very high	58 Å²	58	16.8 Å²	16.8	31%	0.31	10%	0.103	S	C	.	.	S	Bend	trans	65.2	27.2	179.5	-58.3	-48.3	0	0	0	115.6	N340 Y346 N443 Q445	N340-N343 PolarHBondContact OD1-N 2.88Å; N340-N343 VanDerWaalsContact OD1-N 3.09Å; N343-Y346 VanDerWaalsContact O-CD1 3.22Å; N343-Y346 WeakPolarHBondContact O-CD1 3.45Å; N343-Y346 WeakPolarHBondContact O-CE1 3.43Å; N343-N443 PolarHBondContact ND2-O 3.49Å; N343-Q445 HydrophobicContact CB-CB 4.49Å; N343-Q445 HydrophobicContact CB-CG 3.64Å; N343-Q445 VanDerWaalsContact CG-CG 3.41Å; N343-Q445 VanDerWaalsContact OD1-CG 3.26Å; N343-Q445 WeakPolarHBondContact OD1-CG 3.34Å; N343-Q445 PolarHBondContact OD1-NE2 3.15Å
344	S	87.6	Confident	91.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.			trans	-91	10.9	-178.9	67.8	0	0	0	0	115	N340 L341 G342 Y346 L347 S348	N340-S344 PolarHBondContact OD1-N 3.21Å; L341-S344 PolarHBondContact N-OG 3.25Å; G342-S344 PolarHBondContact O-N 2.92Å; S344-Y346 VanDerWaalsContact C-N 3.26Å; S344-Y346 PolarHBondContact O-N 2.93Å; S344-L347 WeakPolarHBondContact O-CB 3.18Å; S344-L347 PolarHBondContact O-N 3.39Å; S344-L347 VanDerWaalsContact O-N 3.08Å; S344-S348 PolarHBondContact O-N 3.46Å; S344-S348 PolarHBondContact O-OG 3Å
345	C	89.9	Confident	91.4	Very high	4 Å²	4	12.2 Å²	12.2	3%	0.027	7%	0.072	C	C	.	.	H	α-helix	trans	-64.7	-26.9	-174.4	56.6	0	0	0	0	113.7	S348 S349 H823 Y824	C345-S348 PolarHBondContact O-N 3.05Å; C345-S349 WeakPolarHBondContact O-CB 3.37Å; C345-S349 PolarHBondContact O-N 3.39Å; C345-S349 PolarHBondContact O-OG 3.1Å; C345-H823 PolarHBondContact SG-ND1 2.84Å; C345-Y824 PolarHBondContact SG-N 2.86Å; C345-Y824 VanDerWaalsContact SG-N 3.4Å
346	Y	93.6	Very high	91.5	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-61.7	-45.5	171.3	66.4	-92.4	0	0	0	111.1	N343 S344 S349 V350 F440 Q446 F451	N343-Y346 VanDerWaalsContact O-CD1 3.22Å; N343-Y346 WeakPolarHBondContact O-CD1 3.45Å; N343-Y346 WeakPolarHBondContact O-CE1 3.43Å; S344-Y346 VanDerWaalsContact C-N 3.26Å; S344-Y346 PolarHBondContact O-N 2.93Å; Y346-S349 PolarHBondContact O-N 3Å; Y346-V350 WeakPolarHBondContact O-CG2 3.41Å; Y346-V350 PolarHBondContact O-N 2.83Å; Y346-V350 VanDerWaalsContact O-N 3.1Å; Y346-F440 AromaticContact CE2-CD1 3.78Å; Y346-F440 HydrophobicContact CE2-CD1 3.78Å; Y346-F440 HydrophobicContact CE2-CE1 4.02Å; Y346-Q446 WeakPolarHBondContact CB-O 3.35Å; Y346-Q446 HydrophobicContact CD1-CB 3.77Å; Y346-Q446 HydrophobicContact CD1-CG 4.46Å; Y346-Q446 HydrophobicContact CD2-CB 4.13Å; Y346-Q446 HydrophobicContact CE1-CB 3.6Å; Y346-Q446 HydrophobicContact CE1-CG 3.82Å; Y346-Q446 HydrophobicContact CE2-CB 4.02Å; Y346-Q446 HydrophobicContact CE2-CG 4.48Å; Y346-Q446 HydrophobicContact CG-CB 4.03Å; Y346-F451 HydrophobicContact CD2-CB 3.75Å; Y346-F451 HydrophobicContact CD2-CD1 4.19Å; Y346-F451 HydrophobicContact CD2-CD2 4.1Å; Y346-F451 AromaticContact CD2-CG 3.73Å; Y346-F451 HydrophobicContact CD2-CG 3.73Å; Y346-F451 HydrophobicContact CE2-CB 4.15Å; Y346-F451 AromaticContact CE2-CD2 3.73Å; Y346-F451 HydrophobicContact CE2-CD2 3.73Å; Y346-F451 HydrophobicContact CE2-CE2 4.29Å; Y346-F451 AromaticContact CE2-CG 3.87Å; Y346-F451 HydrophobicContact CE2-CG 3.87Å
347	L	95.1	Very high	91.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-47.9	176.5	179.1	158.3	0	0	0	109.6	S344 S349 V350 M351 P426 F429 K430 V433 F451	S344-L347 WeakPolarHBondContact O-CB 3.18Å; S344-L347 PolarHBondContact O-N 3.39Å; S344-L347 VanDerWaalsContact O-N 3.08Å; L347-S349 VanDerWaalsContact C-N 3.32Å; L347-S349 PolarHBondContact O-N 3.43Å; L347-V350 PolarHBondContact O-N 3.44Å; L347-M351 HydrophobicContact CD2-CG 4Å; L347-M351 HydrophobicContact CG-CG 4.22Å; L347-M351 WeakPolarHBondContact O-CB 3.28Å; L347-M351 VanDerWaalsContact O-CG 3.24Å; L347-M351 WeakPolarHBondContact O-CG 3.19Å; L347-M351 PolarHBondContact O-N 3.4Å; L347-P426 HydrophobicContact CD2-CG 4.22Å; L347-F429 HydrophobicContact CD1-CD1 4.12Å; L347-F429 HydrophobicContact CD1-CE1 4.11Å; L347-F429 HydrophobicContact CD2-CD1 4.27Å; L347-F429 HydrophobicContact CD2-CE1 4.32Å; L347-F429 HydrophobicContact CG-CE1 4.28Å; L347-K430 HydrophobicContact CD1-CB 4.08Å; L347-K430 HydrophobicContact CD1-CG 4.16Å; L347-V433 HydrophobicContact CD1-CG2 4.31Å; L347-F451 HydrophobicContact CB-CD1 4.5Å; L347-F451 HydrophobicContact CB-CE1 4.01Å; L347-F451 HydrophobicContact CB-CZ 4.03Å; L347-F451 HydrophobicContact CD1-CE2 4.14Å; L347-F451 HydrophobicContact CD1-CZ 3.76Å; L347-F451 HydrophobicContact CG-CE1 3.87Å; L347-F451 HydrophobicContact CG-CE2 4.35Å; L347-F451 HydrophobicContact CG-CZ 3.6Å
348	S	94.7	Very high	91.7	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-53.9	-50.5	178.1	-57.7	0	0	0	0	111.3	S344 C345 M351 Q352 D839	S344-S348 PolarHBondContact O-N 3.46Å; S344-S348 PolarHBondContact O-OG 3Å; C345-S348 PolarHBondContact O-N 3.05Å; S348-M351 PolarHBondContact O-N 2.59Å; S348-Q352 WeakPolarHBondContact O-CB 3.49Å; S348-Q352 WeakPolarHBondContact O-CG 3.32Å; S348-Q352 PolarHBondContact O-N 3.03Å; S348-D839 WeakPolarHBondContact CB-OD1 3.22Å; S348-D839 PolarHBondContact OG-OD1 2.86Å; S348-D839 VanDerWaalsContact OG-OD1 3.11Å
349	S	96.9	Very high	91.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-44.4	-175.7	-62.8	0	0	0	0	112.7	C345 Y346 L347 A353 Y824 I825	C345-S349 WeakPolarHBondContact O-CB 3.37Å; C345-S349 PolarHBondContact O-N 3.39Å; C345-S349 PolarHBondContact O-OG 3.1Å; Y346-S349 PolarHBondContact O-N 3Å; L347-S349 VanDerWaalsContact C-N 3.32Å; L347-S349 PolarHBondContact O-N 3.43Å; S349-A353 PolarHBondContact O-N 2.8Å; S349-Y824 VanDerWaalsContact OG-C 3.28Å; S349-Y824 PolarHBondContact OG-O 2.77Å; S349-I825 WeakPolarHBondContact OG-CA 3.4Å; S349-I825 PolarHBondContact OG-N 2.81Å
350	V	97.9	Very high	92	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-48.4	177.2	172.2	0	0	0	0	110.6	Y346 L347 Q352 A353 I354 A448 F451 F452 L455 I812	Y346-V350 WeakPolarHBondContact O-CG2 3.41Å; Y346-V350 PolarHBondContact O-N 2.83Å; Y346-V350 VanDerWaalsContact O-N 3.1Å; L347-V350 PolarHBondContact O-N 3.44Å; V350-Q352 VanDerWaalsContact C-N 3.32Å; V350-Q352 PolarHBondContact O-N 3.47Å; V350-A353 PolarHBondContact O-N 3.1Å; V350-A353 VanDerWaalsContact O-N 3.14Å; V350-I354 HydrophobicContact CG1-CG1 4.03Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.29Å; V350-I354 PolarHBondContact O-N 2.58Å; V350-A448 HydrophobicContact CG2-CB 4.08Å; V350-A448 WeakPolarHBondContact CG2-O 3.35Å; V350-F451 HydrophobicContact CB-CD1 3.84Å; V350-F451 HydrophobicContact CB-CE1 4.16Å; V350-F451 HydrophobicContact CG1-CD1 3.94Å; V350-F451 HydrophobicContact CG1-CE1 4.16Å; V350-F451 HydrophobicContact CG2-CD1 4.06Å; V350-F452 HydrophobicContact CG1-CB 4.2Å; V350-F452 HydrophobicContact CG1-CD2 4.35Å; V350-F452 HydrophobicContact CG2-CB 4.44Å; V350-L455 HydrophobicContact CG1-CD2 4.27Å; V350-I812 HydrophobicContact CB-CD1 4.46Å; V350-I812 HydrophobicContact CG2-CD1 3.8Å
351	M	97.6	Very high	92.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-33.3	-176.8	-63.8	-45.6	-60.4	0	0	112.9	L347 S348 F355 M387 L390 F429 F451 L455	L347-M351 HydrophobicContact CD2-CG 4Å; L347-M351 HydrophobicContact CG-CG 4.22Å; L347-M351 WeakPolarHBondContact O-CB 3.28Å; L347-M351 VanDerWaalsContact O-CG 3.24Å; L347-M351 WeakPolarHBondContact O-CG 3.19Å; L347-M351 PolarHBondContact O-N 3.4Å; S348-M351 PolarHBondContact O-N 2.59Å; M351-F355 HydrophobicContact CE-CD2 3.93Å; M351-F355 HydrophobicContact CE-CE2 3.37Å; M351-F355 HydrophobicContact CE-CZ 4.22Å; M351-F355 WeakPolarHBondContact O-CD2 3.35Å; M351-F355 PolarHBondContact O-N 2.85Å; M351-M387 HydrophobicContact CE-CE 4.11Å; M351-M387 HydrophobicContact CE-SD 3.86Å; M351-L390 HydrophobicContact CB-CD2 4.11Å; M351-L390 HydrophobicContact CE-CD2 3.71Å; M351-L390 HydrophobicContact CG-CD2 3.9Å; M351-F429 HydrophobicContact CE-CE1 4.23Å; M351-F429 HydrophobicContact CE-CZ 3.75Å; M351-F429 HydrophobicContact CG-CE1 3.94Å; M351-F429 HydrophobicContact CG-CZ 4.41Å; M351-F429 HydrophobicContact SD-CE1 3.94Å; M351-F429 HydrophobicContact SD-CZ 3.85Å; M351-F451 HydrophobicContact CG-CE1 4.35Å; M351-F451 HydrophobicContact SD-CE1 4.06Å; M351-F451 HydrophobicContact SD-CZ 4.45Å; M351-L455 HydrophobicContact CE-CD1 4.49Å; M351-L455 HydrophobicContact CE-CD2 4.06Å; M351-L455 HydrophobicContact SD-CD1 4.25Å; M351-L455 HydrophobicContact SD-CD2 3.5Å; M351-L455 VanDerWaalsContact SD-CD2 3.5Å
352	Q	97.2	Very high	93.1	Very high	6 Å²	6	19 Å²	19	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-63.2	-42.3	173.2	-70.6	-73.4	12	0	0	112	T336 L338 S348 V350 S356 I828 Y837	T336-Q352 PolarHBondContact O-NE2 3.2Å; L338-Q352 HydrophobicContact CD1-CG 3.99Å; S348-Q352 WeakPolarHBondContact O-CB 3.49Å; S348-Q352 WeakPolarHBondContact O-CG 3.32Å; S348-Q352 PolarHBondContact O-N 3.03Å; V350-Q352 VanDerWaalsContact C-N 3.32Å; V350-Q352 PolarHBondContact O-N 3.47Å; Q352-S356 PolarHBondContact O-N 3.44Å; Q352-S356 PolarHBondContact O-OG 3.22Å; Q352-I828 HydrophobicContact CB-CD1 3.98Å; Q352-I828 WeakPolarHBondContact O-CD1 3.45Å; Q352-Y837 HydrophobicContact CB-CG 4.4Å; Q352-Y837 VanDerWaalsContact CD-CD1 3.4Å; Q352-Y837 HydrophobicContact CG-CD1 4.04Å; Q352-Y837 HydrophobicContact CG-CG 4.19Å
353	A	97.3	Very high	94.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.9	-48.2	176.3	0	0	0	0	0	111.4	S349 V350 S356 F857	S349-A353 PolarHBondContact O-N 2.8Å; V350-A353 PolarHBondContact O-N 3.1Å; V350-A353 VanDerWaalsContact O-N 3.14Å; A353-S356 WeakPolarHBondContact O-CB 3.41Å; A353-S356 PolarHBondContact O-N 2.93Å; A353-S356 VanDerWaalsContact O-N 3.11Å; A353-F857 HydrophobicContact CB-CD2 4.42Å; A353-F857 HydrophobicContact CB-CE2 4.06Å; A353-F857 HydrophobicContact CB-CZ 4.2Å
354	I	97.6	Very high	94.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.5	-50.2	-179.1	-66.6	-65	0	0	0	112	V350 S356 I357 F360 F452 L455 F473	V350-I354 HydrophobicContact CG1-CG1 4.03Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.29Å; V350-I354 PolarHBondContact O-N 2.58Å; I354-S356 PolarHBondContact O-N 3.5Å; I354-S356 VanDerWaalsContact O-N 3.15Å; I354-I357 WeakPolarHBondContact O-CB 3.37Å; I354-I357 PolarHBondContact O-N 2.92Å; I354-F360 HydrophobicContact CG2-CB 4.18Å; I354-F360 HydrophobicContact CG2-CD1 3.35Å; I354-F360 HydrophobicContact CG2-CD2 4.12Å; I354-F360 HydrophobicContact CG2-CE1 3.67Å; I354-F360 HydrophobicContact CG2-CE2 4.4Å; I354-F360 HydrophobicContact CG2-CG 3.6Å; I354-F360 HydrophobicContact CG2-CZ 4.2Å; I354-F452 HydrophobicContact CD1-CD2 4.04Å; I354-F452 HydrophobicContact CD1-CE2 3.81Å; I354-L455 HydrophobicContact CG1-CD2 3.95Å; I354-F473 HydrophobicContact CD1-CE2 3.91Å; I354-F473 HydrophobicContact CD1-CZ 3.72Å
355	F	97.3	Very high	95.2	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.2	179.8	-77.9	-64.7	0	0	0	114	M351 Q361 Y364 M387 L390 L394	M351-F355 HydrophobicContact CE-CD2 3.93Å; M351-F355 HydrophobicContact CE-CE2 3.37Å; M351-F355 HydrophobicContact CE-CZ 4.22Å; M351-F355 WeakPolarHBondContact O-CD2 3.35Å; M351-F355 PolarHBondContact O-N 2.85Å; F355-Q361 VanDerWaalsContact O-CG 3.29Å; F355-Q361 WeakPolarHBondContact O-CG 3.44Å; F355-Q361 PolarHBondContact O-NE2 3.43Å; F355-Y364 HydrophobicContact CE1-CD2 4.48Å; F355-M387 HydrophobicContact CZ-CE 3.92Å; F355-M387 WeakPolarHBondContact CZ-O 3.46Å; F355-M387 HydrophobicContact CZ-SD 4.35Å; F355-L390 HydrophobicContact CD2-CG 4.32Å; F355-L390 HydrophobicContact CE2-CB 4.14Å; F355-L390 HydrophobicContact CE2-CD2 3.85Å; F355-L390 HydrophobicContact CE2-CG 3.73Å; F355-L394 HydrophobicContact CB-CD1 4.02Å; F355-L394 HydrophobicContact CD2-CD1 3.62Å; F355-L394 HydrophobicContact CE2-CD1 4.48Å; F355-L394 HydrophobicContact CG-CD1 4.13Å
356	S	96.7	Very high	95.2	Very high	12 Å²	12	19.3 Å²	19.3	8%	0.084	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.5	168.2	-59.8	0	0	0	0	112.5	Q352 A353 I354 F809 K830	Q352-S356 PolarHBondContact O-N 3.44Å; Q352-S356 PolarHBondContact O-OG 3.22Å; A353-S356 WeakPolarHBondContact O-CB 3.41Å; A353-S356 PolarHBondContact O-N 2.93Å; A353-S356 VanDerWaalsContact O-N 3.11Å; I354-S356 PolarHBondContact O-N 3.5Å; I354-S356 VanDerWaalsContact O-N 3.15Å; S356-F809 WeakPolarHBondContact O-CZ 3.01Å; S356-K830 WeakPolarHBondContact OG-CE 3.46Å; S356-K830 PolarHBondContact OG-NZ 3.37Å; S356-K830 VanDerWaalsContact OG-NZ 3.16Å
357	I	96.4	Very high	95	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-88.3	124	177.9	-65	168.4	0	0	0	110.1	I354 E359 F360 Q361 V472 F473 Y580 F809	I354-I357 WeakPolarHBondContact O-CB 3.37Å; I354-I357 PolarHBondContact O-N 2.92Å; I357-E359 VanDerWaalsContact C-N 3.27Å; I357-E359 HydrophobicContact CG2-CB 4.4Å; I357-E359 WeakPolarHBondContact CG2-OE2 3.39Å; I357-E359 PolarHBondContact O-N 3.29Å; I357-E359 VanDerWaalsContact O-N 3.16Å; I357-F360 HydrophobicContact CB-CD2 4.18Å; I357-F360 HydrophobicContact CG2-CD2 4.04Å; I357-F360 PolarHBondContact O-N 2.64Å; I357-Q361 WeakPolarHBondContact O-CG 3.39Å; I357-Q361 PolarHBondContact O-N 3.27Å; I357-V472 HydrophobicContact CG2-CG2 4.5Å; I357-F473 HydrophobicContact CD1-CE1 3.54Å; I357-F473 HydrophobicContact CD1-CZ 3.35Å; I357-Y580 HydrophobicContact CD1-CD1 4.19Å; I357-Y580 HydrophobicContact CD1-CE1 4.42Å; I357-Y580 HydrophobicContact CD1-CG 4.34Å; I357-Y580 HydrophobicContact CG1-CD1 4.17Å; I357-Y580 HydrophobicContact CG1-CE1 3.89Å; I357-Y580 HydrophobicContact CG1-CE2 4.45Å; I357-Y580 HydrophobicContact CG2-CD2 4.02Å; I357-Y580 HydrophobicContact CG2-CE2 3.62Å; I357-F809 HydrophobicContact CG1-CE1 3.91Å; I357-F809 HydrophobicContact CG1-CZ 4.2Å
358	P	94.3	Very high	94.8	Very high	45 Å²	45	23.9 Å²	23.9	29%	0.292	13%	0.134	S	C	.	.	H	α-helix	trans	-55.8	-34.2	-173.8	-29.2	37.6	0	0	0	115.3	Q361 R362 Y580	P358-Q361 WeakPolarHBondContact O-CB 3.34Å; P358-Q361 PolarHBondContact O-N 2.91Å; P358-R362 WeakPolarHBondContact O-CG 3.37Å; P358-R362 PolarHBondContact O-N 3.26Å; P358-Y580 VanDerWaalsContact CD-OH 3.26Å; P358-Y580 WeakPolarHBondContact CD-OH 3.34Å
359	E	93.5	Very high	94.6	Very high	22 Å²	22	27.2 Å²	27.2	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-42.2	-178.1	-69.9	65.6	-132.5	0	0	111.2	I357 Q361 R362 A363 V472	I357-E359 VanDerWaalsContact C-N 3.27Å; I357-E359 HydrophobicContact CG2-CB 4.4Å; I357-E359 WeakPolarHBondContact CG2-OE2 3.39Å; I357-E359 PolarHBondContact O-N 3.29Å; I357-E359 VanDerWaalsContact O-N 3.16Å; E359-Q361 VanDerWaalsContact C-N 3.35Å; E359-R362 VanDerWaalsContact CG-NH2 3.34Å; E359-R362 PolarHBondContact O-N 3.16Å; E359-R362 IonicContact OE1-CZ 3.07Å; E359-R362 IonicContact OE1-NH1 2.71Å; E359-R362 PolarHBondContact OE1-NH1 2.89Å; E359-R362 IonicContact OE1-NH2 2.81Å; E359-R362 PolarHBondContact OE1-NH2 3.43Å; E359-A363 VanDerWaalsContact O-CB 3.25Å; E359-A363 WeakPolarHBondContact O-CB 3.48Å; E359-A363 PolarHBondContact O-N 2.94Å; E359-V472 HydrophobicContact CB-CG1 3.62Å; E359-V472 HydrophobicContact CG-CG1 3.33Å
360	F	95	Very high	94.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-38.6	173	-78.2	-94.3	0	0	0	111.5	I354 I357 Y364 M387 V459 P469 V472 F473	I354-F360 HydrophobicContact CG2-CB 4.18Å; I354-F360 HydrophobicContact CG2-CD1 3.35Å; I354-F360 HydrophobicContact CG2-CD2 4.12Å; I354-F360 HydrophobicContact CG2-CE1 3.67Å; I354-F360 HydrophobicContact CG2-CE2 4.4Å; I354-F360 HydrophobicContact CG2-CG 3.6Å; I354-F360 HydrophobicContact CG2-CZ 4.2Å; I357-F360 HydrophobicContact CB-CD2 4.18Å; I357-F360 HydrophobicContact CG2-CD2 4.04Å; I357-F360 PolarHBondContact O-N 2.64Å; F360-Y364 HydrophobicContact CD1-CD2 4.27Å; F360-Y364 AromaticContact CD1-CE2 3.87Å; F360-Y364 HydrophobicContact CD1-CE2 3.87Å; F360-Y364 HydrophobicContact CE1-CE2 4.38Å; F360-Y364 WeakPolarHBondContact O-CD2 3.28Å; F360-Y364 PolarHBondContact O-N 3.24Å; F360-Y364 VanDerWaalsContact O-N 3.1Å; F360-M387 HydrophobicContact CD1-CE 4.49Å; F360-V459 HydrophobicContact CE1-CG2 4.24Å; F360-P469 HydrophobicContact CD1-CB 4.1Å; F360-P469 HydrophobicContact CD1-CG 4.33Å; F360-P469 HydrophobicContact CD2-CB 4.08Å; F360-P469 HydrophobicContact CE1-CB 4.08Å; F360-P469 HydrophobicContact CE1-CG 4.17Å; F360-P469 HydrophobicContact CE2-CB 4.04Å; F360-P469 WeakPolarHBondContact CE2-O 3.4Å; F360-P469 HydrophobicContact CG-CB 4.1Å; F360-P469 HydrophobicContact CZ-CB 4.03Å; F360-P469 HydrophobicContact CZ-CG 4.45Å; F360-V472 HydrophobicContact CE2-CG2 4.12Å; F360-F473 HydrophobicContact CE2-CD2 4.35Å; F360-F473 AromaticContact CE2-CE2 3.42Å; F360-F473 HydrophobicContact CE2-CE2 3.42Å; F360-F473 VanDerWaalsContact CE2-CE2 3.42Å; F360-F473 AromaticContact CE2-CZ 3.87Å; F360-F473 HydrophobicContact CE2-CZ 3.87Å; F360-F473 HydrophobicContact CZ-CD2 4.5Å; F360-F473 AromaticContact CZ-CE2 3.67Å; F360-F473 HydrophobicContact CZ-CE2 3.67Å; F360-F473 HydrophobicContact CZ-CZ 4.46Å
361	Q	95.2	Very high	94	Very high	62 Å²	62	36 Å²	36	29%	0.29	19%	0.19	S	C	.	.	I	π-helix	trans	-62.6	-45.6	175.4	-57.8	-178.9	0.1	0	0	111.4	F355 I357 P358 E359 V365 G366 L395	F355-Q361 VanDerWaalsContact O-CG 3.29Å; F355-Q361 WeakPolarHBondContact O-CG 3.44Å; F355-Q361 PolarHBondContact O-NE2 3.43Å; I357-Q361 WeakPolarHBondContact O-CG 3.39Å; I357-Q361 PolarHBondContact O-N 3.27Å; P358-Q361 WeakPolarHBondContact O-CB 3.34Å; P358-Q361 PolarHBondContact O-N 2.91Å; E359-Q361 VanDerWaalsContact C-N 3.35Å; Q361-V365 CarbonylContact O-C 3.6Å; Q361-V365 WeakPolarHBondContact O-CA 3.32Å; Q361-V365 VanDerWaalsContact O-CB 3.32Å; Q361-V365 WeakPolarHBondContact O-CB 3.23Å; Q361-V365 PolarHBondContact O-N 2.98Å; Q361-G366 PolarHBondContact O-N 3.5Å; Q361-L395 HydrophobicContact CB-CD1 4.08Å; Q361-L395 HydrophobicContact CG-CD1 3.55Å
362	R	93.3	Very high	93.8	Very high	140 Å²	140	36 Å²	36	53%	0.528	19%	0.19	S	C	.	.	I	π-helix	trans	-65.9	-45.3	178.2	-70.6	-168.9	-57	-88.7	10.1	111.7	P358 E359 G366 N367	P358-R362 WeakPolarHBondContact O-CG 3.37Å; P358-R362 PolarHBondContact O-N 3.26Å; E359-R362 VanDerWaalsContact CG-NH2 3.34Å; E359-R362 PolarHBondContact O-N 3.16Å; E359-R362 IonicContact OE1-CZ 3.07Å; E359-R362 IonicContact OE1-NH1 2.71Å; E359-R362 PolarHBondContact OE1-NH1 2.89Å; E359-R362 IonicContact OE1-NH2 2.81Å; E359-R362 PolarHBondContact OE1-NH2 3.43Å; R362-G366 WeakPolarHBondContact O-CA 3.47Å; R362-G366 PolarHBondContact O-N 3.29Å; R362-N367 PolarHBondContact O-N 2.89Å
363	A	92.1	Very high	93.4	Very high	16 Å²	16	40 Å²	40	13%	0.132	21%	0.211	C	C	.	.	I	π-helix	trans	-61.7	-47.8	-177.1	0	0	0	0	0	112.5	E359 N367 P469	E359-A363 VanDerWaalsContact O-CB 3.25Å; E359-A363 WeakPolarHBondContact O-CB 3.48Å; E359-A363 PolarHBondContact O-N 2.94Å; A363-N367 WeakPolarHBondContact O-CB 3.4Å; A363-N367 PolarHBondContact O-ND2 2.8Å; A363-N367 VanDerWaalsContact O-ND2 3.12Å; A363-P469 HydrophobicContact CB-CB 4.04Å; A363-P469 HydrophobicContact CB-CG 3.92Å
364	Y	94	Very high	93	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	25%	0.245	C	C	.	.	I	π-helix	trans	-99	-51.3	-174.2	-64.6	-77.6	0	0	0	113	F355 F360 L368 I371 F383 M387 T388 I464 P469	F355-Y364 HydrophobicContact CE1-CD2 4.48Å; F360-Y364 HydrophobicContact CD1-CD2 4.27Å; F360-Y364 AromaticContact CD1-CE2 3.87Å; F360-Y364 HydrophobicContact CD1-CE2 3.87Å; F360-Y364 HydrophobicContact CE1-CE2 4.38Å; F360-Y364 WeakPolarHBondContact O-CD2 3.28Å; F360-Y364 PolarHBondContact O-N 3.24Å; F360-Y364 VanDerWaalsContact O-N 3.1Å; Y364-L368 PolarHBondContact O-N 3.18Å; Y364-I371 HydrophobicContact CD1-CD1 4.46Å; Y364-F383 HydrophobicContact CE1-CE1 4.47Å; Y364-F383 WeakPolarHBondContact OH-CE1 3.11Å; Y364-M387 HydrophobicContact CD1-CB 3.47Å; Y364-M387 VanDerWaalsContact CD1-CB 3.47Å; Y364-M387 HydrophobicContact CD1-CG 4.41Å; Y364-M387 HydrophobicContact CD2-CE 4.15Å; Y364-M387 HydrophobicContact CE1-CB 3.48Å; Y364-M387 VanDerWaalsContact CE1-CB 3.48Å; Y364-M387 HydrophobicContact CE1-CE 4.41Å; Y364-M387 HydrophobicContact CE1-CG 3.95Å; Y364-M387 HydrophobicContact CE2-CE 3.72Å; Y364-M387 HydrophobicContact CG-CB 4.08Å; Y364-T388 WeakPolarHBondContact O-CG2 3.38Å; Y364-T388 PolarHBondContact O-OG1 3.39Å; Y364-I464 HydrophobicContact CD1-CD1 3.47Å; Y364-I464 VanDerWaalsContact CD1-CD1 3.47Å; Y364-I464 HydrophobicContact CE1-CD1 3.25Å; Y364-I464 HydrophobicContact CE1-CG1 4.4Å; Y364-I464 HydrophobicContact CG-CD1 4.37Å; Y364-P469 HydrophobicContact CE2-CG 3.93Å
365	V	93.3	Very high	92.7	Very high	34 Å²	34	49 Å²	49	21%	0.206	25%	0.248	C	C	.	.	I	π-helix	trans	-82.9	-36.6	-174.2	-175.3	0	0	0	0	111.8	Q361 N367 L368 G391 L395	Q361-V365 CarbonylContact O-C 3.6Å; Q361-V365 WeakPolarHBondContact O-CA 3.32Å; Q361-V365 VanDerWaalsContact O-CB 3.32Å; Q361-V365 WeakPolarHBondContact O-CB 3.23Å; Q361-V365 PolarHBondContact O-N 2.98Å; V365-N367 VanDerWaalsContact C-N 3.31Å; V365-N367 PolarHBondContact O-N 2.9Å; V365-L368 VanDerWaalsContact O-CB 3.27Å; V365-L368 WeakPolarHBondContact O-CB 3.43Å; V365-L368 PolarHBondContact O-N 3.04Å; V365-G391 VanDerWaalsContact CG2-C 3.44Å; V365-L395 HydrophobicContact CB-CD1 4.39Å; V365-L395 HydrophobicContact CG2-CD1 3.93Å
366	G	90.9	Very high	92.3	Very high	56 Å²	56	51.8 Å²	51.8	58%	0.577	27%	0.266	S	S	*	.	I	π-helix	trans	-64.2	-34.3	174.3	0	0	0	0	0	113.3	Q361 R362	Q361-G366 PolarHBondContact O-N 3.5Å; R362-G366 WeakPolarHBondContact O-CA 3.47Å; R362-G366 PolarHBondContact O-N 3.29Å
367	N	88.5	Confident	92	Very high	69 Å²	69	57 Å²	57	37%	0.369	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.9	178.2	-66.5	-43	0	0	0	114	R362 A363 V365 R370 I371	R362-N367 PolarHBondContact O-N 2.89Å; A363-N367 WeakPolarHBondContact O-CB 3.4Å; A363-N367 PolarHBondContact O-ND2 2.8Å; A363-N367 VanDerWaalsContact O-ND2 3.12Å; V365-N367 VanDerWaalsContact C-N 3.31Å; V365-N367 PolarHBondContact O-N 2.9Å; N367-R370 WeakPolarHBondContact O-CB 3.19Å; N367-R370 PolarHBondContact O-N 3.13Å; N367-I371 HydrophobicContact CB-CD1 4.08Å; N367-I371 HydrophobicContact CB-CG1 4.29Å; N367-I371 PolarHBondContact O-N 3.44Å
368	L	90.9	Very high	91.7	Very high	29 Å²	29	59.2 Å²	59.2	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-49.8	-48.1	-173.1	177.1	161.2	0	0	0	114.4	Y364 V365 R370 I371 F372 T388 H392	Y364-L368 PolarHBondContact O-N 3.18Å; V365-L368 VanDerWaalsContact O-CB 3.27Å; V365-L368 WeakPolarHBondContact O-CB 3.43Å; V365-L368 PolarHBondContact O-N 3.04Å; L368-R370 VanDerWaalsContact C-N 3.32Å; L368-R370 PolarHBondContact O-N 3.36Å; L368-I371 PolarHBondContact O-N 2.87Å; L368-F372 HydrophobicContact CD1-CE2 4.14Å; L368-F372 HydrophobicContact CD1-CZ 4.39Å; L368-F372 HydrophobicContact CD2-CD2 3.52Å; L368-F372 HydrophobicContact CD2-CE2 3.58Å; L368-F372 HydrophobicContact CD2-CG 4.39Å; L368-F372 HydrophobicContact CD2-CZ 4.45Å; L368-F372 HydrophobicContact CG-CD2 3.94Å; L368-F372 HydrophobicContact CG-CE2 3.7Å; L368-F372 HydrophobicContact CG-CZ 4.07Å; L368-F372 WeakPolarHBondContact O-CG 3.4Å; L368-F372 PolarHBondContact O-N 2.76Å; L368-T388 HydrophobicContact CB-CG2 3.73Å; L368-T388 HydrophobicContact CD1-CG2 3.99Å; L368-T388 HydrophobicContact CG-CG2 3.61Å; L368-H392 HydrophobicContact CD1-CB 3.73Å
369	P	90	Very high	91.6	Very high	74 Å²	74	57.2 Å²	57.2	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-44.1	179.7	-23.9	34.6	0	0	0	112	F372 D373	P369-F372 PolarHBondContact O-N 2.73Å; P369-D373 WeakPolarHBondContact O-CB 3.25Å; P369-D373 PolarHBondContact O-N 3.16Å
370	R	90.9	Very high	91.5	Very high	170 Å²	170	56.2 Å²	56.2	64%	0.642	29%	0.287	S	S	*	.	H	α-helix	trans	-63.2	-49.4	-180	-174.9	176.6	175.8	160.2	-2.2	110.9	N367 L368 F372 D373 Y374	N367-R370 WeakPolarHBondContact O-CB 3.19Å; N367-R370 PolarHBondContact O-N 3.13Å; L368-R370 VanDerWaalsContact C-N 3.32Å; L368-R370 PolarHBondContact O-N 3.36Å; R370-F372 VanDerWaalsContact C-N 3.31Å; R370-F372 PolarHBondContact O-N 2.78Å; R370-D373 PolarHBondContact O-N 2.76Å; R370-Y374 HydrophobicContact CG-CD2 3.66Å; R370-Y374 HydrophobicContact CG-CE2 3.82Å; R370-Y374 VanDerWaalsContact O-CD2 3.24Å; R370-Y374 WeakPolarHBondContact O-CD2 3.19Å; R370-Y374 PolarHBondContact O-N 2.84Å
371	I	91.8	Very high	91.2	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.077	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-45.1	-178.7	-65.6	169.3	0	0	0	110.5	Y364 N367 L368 Y374 S375 N384 T388 I464	Y364-I371 HydrophobicContact CD1-CD1 4.46Å; N367-I371 HydrophobicContact CB-CD1 4.08Å; N367-I371 HydrophobicContact CB-CG1 4.29Å; N367-I371 PolarHBondContact O-N 3.44Å; L368-I371 PolarHBondContact O-N 2.87Å; I371-Y374 PolarHBondContact O-N 2.87Å; I371-S375 PolarHBondContact O-N 2.97Å; I371-N384 HydrophobicContact CG2-CB 3.91Å; I371-T388 WeakPolarHBondContact CD1-OG1 3.31Å; I371-I464 HydrophobicContact CD1-CD1 3.81Å
372	F	92.9	Very high	91	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-34.1	179.3	-68.8	-9	0	0	0	113.5	F51 L368 P369 R370 S375 T385 T388	F51-F372 HydrophobicContact CB-CE2 4.11Å; F51-F372 HydrophobicContact CB-CZ 4.17Å; F51-F372 HydrophobicContact CD1-CB 4.18Å; F51-F372 AromaticContact CD1-CD1 3.58Å; F51-F372 HydrophobicContact CD1-CD1 3.58Å; F51-F372 HydrophobicContact CD1-CD2 4.09Å; F51-F372 AromaticContact CD1-CE1 3.82Å; F51-F372 HydrophobicContact CD1-CE1 3.82Å; F51-F372 HydrophobicContact CD1-CE2 4.28Å; F51-F372 AromaticContact CD1-CG 3.71Å; F51-F372 HydrophobicContact CD1-CG 3.71Å; F51-F372 HydrophobicContact CD1-CZ 4.14Å; F51-F372 HydrophobicContact CE1-CB 4.07Å; F51-F372 AromaticContact CE1-CD1 3.99Å; F51-F372 HydrophobicContact CE1-CD1 3.99Å; F51-F372 HydrophobicContact CE1-CG 4.07Å; F51-F372 WeakPolarHBondContact O-CZ 3.44Å; L368-F372 HydrophobicContact CD1-CE2 4.14Å; L368-F372 HydrophobicContact CD1-CZ 4.39Å; L368-F372 HydrophobicContact CD2-CD2 3.52Å; L368-F372 HydrophobicContact CD2-CE2 3.58Å; L368-F372 HydrophobicContact CD2-CG 4.39Å; L368-F372 HydrophobicContact CD2-CZ 4.45Å; L368-F372 HydrophobicContact CG-CD2 3.94Å; L368-F372 HydrophobicContact CG-CE2 3.7Å; L368-F372 HydrophobicContact CG-CZ 4.07Å; L368-F372 WeakPolarHBondContact O-CG 3.4Å; L368-F372 PolarHBondContact O-N 2.76Å; P369-F372 PolarHBondContact O-N 2.73Å; R370-F372 VanDerWaalsContact C-N 3.31Å; R370-F372 PolarHBondContact O-N 2.78Å; F372-S375 PolarHBondContact O-OG 2.87Å; F372-T385 HydrophobicContact CD1-CG2 4.08Å; F372-T385 HydrophobicContact CE1-CG2 3.91Å; F372-T388 HydrophobicContact CD1-CG2 4.2Å; F372-T388 HydrophobicContact CE1-CG2 3.54Å; F372-T388 HydrophobicContact CZ-CG2 3.83Å
373	D	89.8	Confident	91	Very high	89 Å²	89	50.5 Å²	50.5	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-70.4	-37.9	178.1	-67.8	-13.8	0	0	0	111.4	R79 K83 P369 R370	R79-D373 IonicContact CZ-OD1 2.9Å; R79-D373 VanDerWaalsContact CZ-OD1 3.28Å; R79-D373 IonicContact NE-OD1 2.69Å; R79-D373 PolarHBondContact NE-OD1 3.38Å; R79-D373 IonicContact NH2-OD1 2.76Å; R79-D373 PolarHBondContact NH2-OD1 3.15Å; K83-D373 PolarHBondContact NZ-O 3.11Å; P369-D373 WeakPolarHBondContact O-CB 3.25Å; P369-D373 PolarHBondContact O-N 3.16Å; R370-D373 PolarHBondContact O-N 2.76Å
374	Y	88.1	Confident	91.1	Very high	182 Å²	182	51.1 Å²	51.1	71%	0.714	27%	0.268	S	S	*	.	S	Bend	trans	-88.1	3.8	177.3	-71.5	-75.8	0	0	0	114.9	R370 I371	R370-Y374 HydrophobicContact CG-CD2 3.66Å; R370-Y374 HydrophobicContact CG-CE2 3.82Å; R370-Y374 VanDerWaalsContact O-CD2 3.24Å; R370-Y374 WeakPolarHBondContact O-CD2 3.19Å; R370-Y374 PolarHBondContact O-N 2.84Å; I371-Y374 PolarHBondContact O-N 2.87Å
375	S	91.3	Very high	91.1	Very high	8 Å²	8	51 Å²	51	6%	0.056	27%	0.268	C	S	.	.			trans	-54.4	157.5	178.7	79.6	0	0	0	0	112.4	K83 I371 F372	K83-S375 VanDerWaalsContact CE-O 3.28Å; K83-S375 WeakPolarHBondContact CE-O 3.46Å; K83-S375 PolarHBondContact NZ-O 2.9Å; K83-S375 PolarHBondContact NZ-OG 2.96Å; K83-S375 VanDerWaalsContact NZ-OG 3.1Å; I371-S375 PolarHBondContact O-N 2.97Å; F372-S375 PolarHBondContact O-OG 2.87Å
376	P	90.3	Very high	91.2	Very high	60 Å²	60	49.4 Å²	49.4	39%	0.39	26%	0.258	S	S	.	.			trans	-66.8	174.4	165.9	27.6	-32.9	0	0	0	111.7	D378 D382	P376-D378 PolarHBondContact O-N 2.85Å; P376-D382 HydrophobicContact CG-CB 3.62Å
377	L	88.8	Confident	91.4	Very high	122 Å²	122	46.8 Å²	46.8	64%	0.639	23%	0.23	S	C	*	.	S	Bend	trans	-61.4	-31.3	176.2	-69.3	174.8	0	0	0	112.7	L70 T84 P379	L70-L377 WeakPolarHBondContact CD1-O 3.41Å; T84-L377 HydrophobicContact CG2-CD2 3.8Å; L377-P379 WeakPolarHBondContact O-CD 3.18Å
378	D	91.3	Very high	91.7	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.241	21%	0.213	C	C	.	.			trans	-109	94.6	170.2	-177	-5	0	0	0	110	L70 P376 T380 Q381	L70-D378 HydrophobicContact CD1-CB 4.33Å; L70-D378 WeakPolarHBondContact CD2-OD1 3.42Å; P376-D378 PolarHBondContact O-N 2.85Å; D378-T380 PolarHBondContact O-N 3.49Å; D378-T380 VanDerWaalsContact OD1-CB 3.3Å; D378-T380 WeakPolarHBondContact OD1-CB 3.39Å; D378-T380 WeakPolarHBondContact OD1-CG2 3.03Å; D378-T380 PolarHBondContact OD1-N 3.44Å; D378-T380 PolarHBondContact OD1-OG1 3.3Å; D378-T380 PolarHBondContact OD2-OG1 2.94Å; D378-Q381 PolarHBondContact O-N 3.34Å; D378-Q381 WeakPolarHBondContact OD2-CG 3.28Å
379	P	92.6	Very high	92	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.019	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-72.5	-10.4	-178	-8.9	25	0	0	0	113.3	A50 F51 L377 Q381 D382 T385 Q386	A50-P379 HydrophobicContact CB-CB 4.34Å; A50-P379 HydrophobicContact CB-CG 4.28Å; F51-P379 HydrophobicContact CD1-CB 4.3Å; F51-P379 HydrophobicContact CE1-CB 3.65Å; F51-P379 HydrophobicContact CE1-CG 3.82Å; F51-P379 HydrophobicContact CE2-CB 4.39Å; F51-P379 HydrophobicContact CE2-CG 3.77Å; F51-P379 HydrophobicContact CZ-CB 3.71Å; F51-P379 HydrophobicContact CZ-CG 3.3Å; L377-P379 WeakPolarHBondContact O-CD 3.18Å; P379-Q381 PolarHBondContact O-N 3.03Å; P379-D382 PolarHBondContact O-N 2.71Å; P379-T385 HydrophobicContact CB-CG2 3.76Å; P379-Q386 PolarHBondContact O-NE2 2.85Å
380	T	90.2	Very high	92.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-73.4	-19.4	177.5	78.1	0	0	0	0	112.2	Y45 A50 L70 D378 M428	Y45-T380 HydrophobicContact CD1-CG2 4.4Å; Y45-T380 HydrophobicContact CE1-CG2 4.08Å; Y45-T380 HydrophobicContact CE2-CG2 4.33Å; Y45-T380 PolarHBondContact OH-OG1 2.9Å; A50-T380 HydrophobicContact CB-CG2 4.02Å; L70-T380 HydrophobicContact CD2-CG2 3.89Å; D378-T380 PolarHBondContact O-N 3.49Å; D378-T380 VanDerWaalsContact OD1-CB 3.3Å; D378-T380 WeakPolarHBondContact OD1-CB 3.39Å; D378-T380 WeakPolarHBondContact OD1-CG2 3.03Å; D378-T380 PolarHBondContact OD1-N 3.44Å; D378-T380 PolarHBondContact OD1-OG1 3.3Å; D378-T380 PolarHBondContact OD2-OG1 2.94Å; T380-M428 HydrophobicContact CG2-CE 3.81Å; T380-M428 HydrophobicContact CG2-SD 3.67Å
381	Q	89.3	Confident	92.6	Very high	53 Å²	53	30.6 Å²	30.6	25%	0.248	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-105.2	16.5	179.1	-57.3	-59.3	-64.1	0	0	112.3	D378 P379 F432	D378-Q381 PolarHBondContact O-N 3.34Å; D378-Q381 WeakPolarHBondContact OD2-CG 3.28Å; P379-Q381 PolarHBondContact O-N 3.03Å; Q381-F432 WeakPolarHBondContact O-CE2 3.43Å
382	D	91.7	Very high	92.8	Very high	29 Å²	29	32.6 Å²	32.6	16%	0.155	16%	0.161	C	C	.	.			trans	-111.2	122.1	179.2	179.2	46.5	0	0	0	111.5	P376 P379 N384 T385 Q386	P376-D382 HydrophobicContact CG-CB 3.62Å; P379-D382 PolarHBondContact O-N 2.71Å; D382-N384 PolarHBondContact O-N 3.3Å; D382-T385 PolarHBondContact O-N 2.77Å; D382-T385 WeakPolarHBondContact OD2-CB 3.5Å; D382-T385 PolarHBondContact OD2-N 2.94Å; D382-T385 PolarHBondContact OD2-OG1 3.14Å; D382-Q386 WeakPolarHBondContact O-CG 3.33Å; D382-Q386 PolarHBondContact O-N 2.88Å
383	F	92.2	Very high	92.9	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-48.2	-178.6	178	-105.6	0	0	0	111.5	Y364 T385 Q386 M387 F432 L455 L458 V459 N462	Y364-F383 HydrophobicContact CE1-CE1 4.47Å; Y364-F383 WeakPolarHBondContact OH-CE1 3.11Å; F383-T385 PolarHBondContact O-N 2.77Å; F383-Q386 PolarHBondContact O-N 3.44Å; F383-M387 HydrophobicContact CD1-CG 4.17Å; F383-M387 HydrophobicContact CD2-CG 4.13Å; F383-M387 HydrophobicContact CE1-CG 3.76Å; F383-M387 HydrophobicContact CE2-CG 3.71Å; F383-M387 HydrophobicContact CE2-SD 4.17Å; F383-M387 HydrophobicContact CG-CG 4.37Å; F383-M387 HydrophobicContact CZ-CE 4.42Å; F383-M387 HydrophobicContact CZ-CG 3.53Å; F383-M387 HydrophobicContact CZ-SD 4.02Å; F383-M387 WeakPolarHBondContact O-CB 3.32Å; F383-M387 WeakPolarHBondContact O-CG 3.41Å; F383-M387 PolarHBondContact O-N 2.99Å; F383-F432 HydrophobicContact CB-CD1 4.48Å; F383-F432 HydrophobicContact CB-CE1 3.53Å; F383-F432 HydrophobicContact CB-CZ 3.87Å; F383-F432 HydrophobicContact CD2-CD1 4.2Å; F383-F432 AromaticContact CD2-CE1 3.73Å; F383-F432 HydrophobicContact CD2-CE1 3.73Å; F383-F432 HydrophobicContact CG-CE1 4.12Å; F383-L455 HydrophobicContact CE2-CD1 4.39Å; F383-L455 HydrophobicContact CZ-CD1 4.4Å; F383-L458 HydrophobicContact CD2-CB 4.38Å; F383-L458 HydrophobicContact CE2-CB 3.72Å; F383-L458 HydrophobicContact CE2-CD1 4.2Å; F383-L458 HydrophobicContact CZ-CB 3.94Å; F383-V459 HydrophobicContact CE1-CG2 4.01Å; F383-V459 HydrophobicContact CZ-CG2 3.71Å; F383-N462 HydrophobicContact CB-CB 4.17Å; F383-N462 HydrophobicContact CD1-CB 3.35Å; F383-N462 HydrophobicContact CE1-CB 4Å; F383-N462 HydrophobicContact CG-CB 4.03Å
384	N	93.4	Very high	93.1	Very high	29 Å²	29	28.3 Å²	28.3	16%	0.155	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-40.4	-174.8	-70.6	-33.5	0	0	0	111.7	I371 D382 T388 N462 I464	I371-N384 HydrophobicContact CG2-CB 3.91Å; D382-N384 PolarHBondContact O-N 3.3Å; N384-T388 VanDerWaalsContact O-CB 3.25Å; N384-T388 WeakPolarHBondContact O-CB 3.41Å; N384-T388 PolarHBondContact O-N 3.43Å; N384-T388 PolarHBondContact O-OG1 3.27Å; N384-N462 PolarHBondContact OD1-O 3.23Å; N384-I464 HydrophobicContact CB-CD1 4.18Å; N384-I464 HydrophobicContact CB-CG1 4.39Å; N384-I464 WeakPolarHBondContact OD1-CD1 3.41Å; N384-I464 VanDerWaalsContact OD1-CG1 3.28Å; N384-I464 WeakPolarHBondContact OD1-CG1 3.12Å
385	T	94.4	Very high	93.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-46.9	173.3	-62.1	0	0	0	0	111.5	F51 F372 P379 D382 F383 T388 K389	F51-T385 HydrophobicContact CD1-CG2 3.63Å; F51-T385 HydrophobicContact CE1-CG2 3.78Å; F372-T385 HydrophobicContact CD1-CG2 4.08Å; F372-T385 HydrophobicContact CE1-CG2 3.91Å; P379-T385 HydrophobicContact CB-CG2 3.76Å; D382-T385 PolarHBondContact O-N 2.77Å; D382-T385 WeakPolarHBondContact OD2-CB 3.5Å; D382-T385 PolarHBondContact OD2-N 2.94Å; D382-T385 PolarHBondContact OD2-OG1 3.14Å; F383-T385 PolarHBondContact O-N 2.77Å; T385-T388 PolarHBondContact O-N 2.82Å; T385-K389 WeakPolarHBondContact O-CB 3.22Å; T385-K389 PolarHBondContact O-N 3.32Å
386	Q	95.4	Very high	93.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.9	-38.7	-178.8	-66.3	-50.1	-55.3	0	0	112.6	A50 P379 D382 F383 K389 L390 M428 F429 F432	A50-Q386 PolarHBondContact O-NE2 3.13Å; P379-Q386 PolarHBondContact O-NE2 2.85Å; D382-Q386 WeakPolarHBondContact O-CG 3.33Å; D382-Q386 PolarHBondContact O-N 2.88Å; F383-Q386 PolarHBondContact O-N 3.44Å; Q386-K389 PolarHBondContact O-N 3.38Å; Q386-L390 WeakPolarHBondContact O-CB 3.45Å; Q386-L390 PolarHBondContact O-N 3.46Å; Q386-M428 PolarHBondContact NE2-SD 2.98Å; Q386-M428 VanDerWaalsContact NE2-SD 3.37Å; Q386-M428 PolarHBondContact OE1-SD 3.11Å; Q386-M428 VanDerWaalsContact OE1-SD 3.32Å; Q386-F429 HydrophobicContact CB-CD2 4.11Å; Q386-F432 HydrophobicContact CG-CB 4.47Å
387	M	95.6	Very high	93.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-46.2	171.3	-78.3	-67.8	-74.7	0	0	111.5	M351 F355 F360 Y364 F383 L390 G391 F429 L455	M351-M387 HydrophobicContact CE-CE 4.11Å; M351-M387 HydrophobicContact CE-SD 3.86Å; F355-M387 HydrophobicContact CZ-CE 3.92Å; F355-M387 WeakPolarHBondContact CZ-O 3.46Å; F355-M387 HydrophobicContact CZ-SD 4.35Å; F360-M387 HydrophobicContact CD1-CE 4.49Å; Y364-M387 HydrophobicContact CD1-CB 3.47Å; Y364-M387 VanDerWaalsContact CD1-CB 3.47Å; Y364-M387 HydrophobicContact CD1-CG 4.41Å; Y364-M387 HydrophobicContact CD2-CE 4.15Å; Y364-M387 HydrophobicContact CE1-CB 3.48Å; Y364-M387 VanDerWaalsContact CE1-CB 3.48Å; Y364-M387 HydrophobicContact CE1-CE 4.41Å; Y364-M387 HydrophobicContact CE1-CG 3.95Å; Y364-M387 HydrophobicContact CE2-CE 3.72Å; Y364-M387 HydrophobicContact CG-CB 4.08Å; F383-M387 HydrophobicContact CD1-CG 4.17Å; F383-M387 HydrophobicContact CD2-CG 4.13Å; F383-M387 HydrophobicContact CE1-CG 3.76Å; F383-M387 HydrophobicContact CE2-CG 3.71Å; F383-M387 HydrophobicContact CE2-SD 4.17Å; F383-M387 HydrophobicContact CG-CG 4.37Å; F383-M387 HydrophobicContact CZ-CE 4.42Å; F383-M387 HydrophobicContact CZ-CG 3.53Å; F383-M387 HydrophobicContact CZ-SD 4.02Å; F383-M387 WeakPolarHBondContact O-CB 3.32Å; F383-M387 WeakPolarHBondContact O-CG 3.41Å; F383-M387 PolarHBondContact O-N 2.99Å; M387-L390 PolarHBondContact O-N 2.92Å; M387-G391 PolarHBondContact O-N 2.86Å; M387-F429 HydrophobicContact CG-CE2 4.15Å; M387-F429 HydrophobicContact SD-CE2 3.46Å; M387-F429 WeakPolarHBondContact SD-CE2 3.08Å; M387-F429 HydrophobicContact SD-CZ 3.85Å; M387-L455 HydrophobicContact CE-CD1 4.43Å; M387-L455 HydrophobicContact SD-CD1 4.11Å
388	T	95.8	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-43.6	178.9	-61	0	0	0	0	112	Y364 L368 I371 F372 N384 T385 G391 H392	Y364-T388 WeakPolarHBondContact O-CG2 3.38Å; Y364-T388 PolarHBondContact O-OG1 3.39Å; L368-T388 HydrophobicContact CB-CG2 3.73Å; L368-T388 HydrophobicContact CD1-CG2 3.99Å; L368-T388 HydrophobicContact CG-CG2 3.61Å; I371-T388 WeakPolarHBondContact CD1-OG1 3.31Å; F372-T388 HydrophobicContact CD1-CG2 4.2Å; F372-T388 HydrophobicContact CE1-CG2 3.54Å; F372-T388 HydrophobicContact CZ-CG2 3.83Å; N384-T388 VanDerWaalsContact O-CB 3.25Å; N384-T388 WeakPolarHBondContact O-CB 3.41Å; N384-T388 PolarHBondContact O-N 3.43Å; N384-T388 PolarHBondContact O-OG1 3.27Å; T385-T388 PolarHBondContact O-N 2.82Å; T388-G391 PolarHBondContact O-N 2.92Å; T388-H392 VanDerWaalsContact O-CB 3.26Å; T388-H392 WeakPolarHBondContact O-CB 3.45Å; T388-H392 PolarHBondContact O-N 3.04Å
389	K	96.6	Very high	93.1	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-58.4	-47.8	175.2	169.2	176.2	164.6	176.4	0	111.4	E48 C49 F51 S52 Y53 T385 Q386 H392 G393 M428	E48-K389 WeakPolarHBondContact OE1-CE 3.47Å; E48-K389 IonicContact OE1-NZ 2.73Å; E48-K389 PolarHBondContact OE1-NZ 3.27Å; C49-K389 PolarHBondContact O-NZ 3.03Å; F51-K389 WeakPolarHBondContact O-CG 3.47Å; S52-K389 WeakPolarHBondContact O-CE 3.24Å; S52-K389 PolarHBondContact O-NZ 3.24Å; Y53-K389 HydrophobicContact CD2-CG 4.41Å; Y53-K389 HydrophobicContact CE2-CG 3.91Å; T385-K389 WeakPolarHBondContact O-CB 3.22Å; T385-K389 PolarHBondContact O-N 3.32Å; Q386-K389 PolarHBondContact O-N 3.38Å; K389-H392 PolarHBondContact O-N 3.47Å; K389-G393 PolarHBondContact O-N 3.4Å; K389-M428 PolarHBondContact NZ-SD 3.46Å
390	L	96.8	Very high	92.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.6	-49.2	178.2	178.3	59.1	0	0	0	111.6	Y53 L338 M351 F355 Q386 M387 H392 G393 L394 I424 P426 F429	Y53-L390 WeakPolarHBondContact OH-CD1 3.38Å; L338-L390 HydrophobicContact CD2-CD1 3.88Å; M351-L390 HydrophobicContact CB-CD2 4.11Å; M351-L390 HydrophobicContact CE-CD2 3.71Å; M351-L390 HydrophobicContact CG-CD2 3.9Å; F355-L390 HydrophobicContact CD2-CG 4.32Å; F355-L390 HydrophobicContact CE2-CB 4.14Å; F355-L390 HydrophobicContact CE2-CD2 3.85Å; F355-L390 HydrophobicContact CE2-CG 3.73Å; Q386-L390 WeakPolarHBondContact O-CB 3.45Å; Q386-L390 PolarHBondContact O-N 3.46Å; M387-L390 PolarHBondContact O-N 2.92Å; L390-H392 VanDerWaalsContact C-N 3.34Å; L390-H392 PolarHBondContact O-N 2.93Å; L390-G393 PolarHBondContact O-N 3.14Å; L390-G393 VanDerWaalsContact O-N 3.16Å; L390-L394 HydrophobicContact CD1-CD1 4.15Å; L390-L394 HydrophobicContact CD1-CG 4.27Å; L390-L394 HydrophobicContact CG-CD1 4.23Å; L390-L394 WeakPolarHBondContact O-CG 3.35Å; L390-L394 PolarHBondContact O-N 2.88Å; L390-I424 HydrophobicContact CD1-CD1 3.96Å; L390-P426 HydrophobicContact CD1-CB 4.18Å; L390-F429 HydrophobicContact CD2-CD1 3.69Å; L390-F429 HydrophobicContact CD2-CD2 4.06Å; L390-F429 HydrophobicContact CD2-CE1 3.73Å; L390-F429 HydrophobicContact CD2-CE2 4.12Å; L390-F429 HydrophobicContact CD2-CG 3.85Å; L390-F429 HydrophobicContact CD2-CZ 3.95Å
391	G	96.3	Very high	92.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-43.4	177.8	0	0	0	0	0	112.6	V365 M387 T388 L394 L395	V365-G391 VanDerWaalsContact CG2-C 3.44Å; M387-G391 PolarHBondContact O-N 2.86Å; T388-G391 PolarHBondContact O-N 2.92Å; G391-L394 PolarHBondContact O-N 2.88Å; G391-L395 WeakPolarHBondContact O-CB 3.47Å; G391-L395 VanDerWaalsContact O-CG 3.28Å; G391-L395 WeakPolarHBondContact O-CG 3.47Å; G391-L395 PolarHBondContact O-N 3.32Å
392	H	95.9	Very high	91.8	Very high	57 Å²	57	26 Å²	26	26%	0.264	14%	0.136	S	C	.	.	H	α-helix	trans	-64.4	-41.6	175.1	-174.6	67.7	0	0	0	112.1	L368 T388 K389 L390 L394 L395 S396	L368-H392 HydrophobicContact CD1-CB 3.73Å; T388-H392 VanDerWaalsContact O-CB 3.26Å; T388-H392 WeakPolarHBondContact O-CB 3.45Å; T388-H392 PolarHBondContact O-N 3.04Å; K389-H392 PolarHBondContact O-N 3.47Å; L390-H392 VanDerWaalsContact C-N 3.34Å; L390-H392 PolarHBondContact O-N 2.93Å; H392-L394 VanDerWaalsContact C-N 3.28Å; H392-L394 PolarHBondContact O-N 2.91Å; H392-L395 PolarHBondContact O-N 3.36Å; H392-S396 WeakPolarHBondContact O-CB 3.31Å; H392-S396 PolarHBondContact O-N 3.44Å; H392-S396 PolarHBondContact O-OG 2.91Å
393	G	94.7	Very high	90.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-39.3	174.8	0	0	0	0	0	112.8	T336 K389 L390	T336-G393 PolarHBondContact OG1-O 2.76Å; K389-G393 PolarHBondContact O-N 3.4Å; L390-G393 PolarHBondContact O-N 3.14Å; L390-G393 VanDerWaalsContact O-N 3.16Å
394	L	95.6	Very high	89.1	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-74.9	-39.9	179	-68.1	174.8	0	0	0	113.3	G334 T336 L338 F355 L390 G391 H392 I424	G334-L394 VanDerWaalsContact CA-O 3.26Å; G334-L394 WeakPolarHBondContact CA-O 3.26Å; G334-L394 PolarHBondContact N-O 2.89Å; G334-L394 VanDerWaalsContact N-O 3.13Å; T336-L394 HydrophobicContact CG2-CD2 4.44Å; T336-L394 WeakPolarHBondContact O-CD2 3.37Å; T336-L394 PolarHBondContact OG1-O 2.83Å; L338-L394 HydrophobicContact CD1-CD2 4.29Å; L338-L394 HydrophobicContact CD2-CD2 3.98Å; L338-L394 HydrophobicContact CG-CD2 3.98Å; F355-L394 HydrophobicContact CB-CD1 4.02Å; F355-L394 HydrophobicContact CD2-CD1 3.62Å; F355-L394 HydrophobicContact CE2-CD1 4.48Å; F355-L394 HydrophobicContact CG-CD1 4.13Å; L390-L394 HydrophobicContact CD1-CD1 4.15Å; L390-L394 HydrophobicContact CD1-CG 4.27Å; L390-L394 HydrophobicContact CG-CD1 4.23Å; L390-L394 WeakPolarHBondContact O-CG 3.35Å; L390-L394 PolarHBondContact O-N 2.88Å; G391-L394 PolarHBondContact O-N 2.88Å; H392-L394 VanDerWaalsContact C-N 3.28Å; H392-L394 PolarHBondContact O-N 2.91Å; L394-I424 HydrophobicContact CD2-CD1 3.86Å; L394-I424 HydrophobicContact CG-CD1 4.04Å
395	L	95.4	Very high	86.9	Confident	33 Å²	33	37.4 Å²	37.4	17%	0.173	19%	0.193	C	C	.	.	H	α-helix	trans	-99.2	-21.2	-168.2	-59.7	175.5	0	0	0	114.7	P333 Q361 V365 G391 H392 G397	P333-L395 WeakPolarHBondContact CA-O 3.47Å; P333-L395 VanDerWaalsContact CB-O 3.28Å; P333-L395 WeakPolarHBondContact CB-O 3.48Å; Q361-L395 HydrophobicContact CB-CD1 4.08Å; Q361-L395 HydrophobicContact CG-CD1 3.55Å; V365-L395 HydrophobicContact CB-CD1 4.39Å; V365-L395 HydrophobicContact CG2-CD1 3.93Å; G391-L395 WeakPolarHBondContact O-CB 3.47Å; G391-L395 VanDerWaalsContact O-CG 3.28Å; G391-L395 WeakPolarHBondContact O-CG 3.47Å; G391-L395 PolarHBondContact O-N 3.32Å; H392-L395 PolarHBondContact O-N 3.36Å; L395-G397 VanDerWaalsContact C-N 3.32Å; L395-G397 PolarHBondContact O-N 3.38Å
396	S	92.6	Very high	84.6	Confident	40 Å²	40	41 Å²	41	28%	0.28	22%	0.219	S	C	.	.	S	Bend	trans	-67.3	-29.3	-176.2	59.5	0	0	0	0	114.3	H392 Q398	H392-S396 WeakPolarHBondContact O-CB 3.31Å; H392-S396 PolarHBondContact O-N 3.44Å; H392-S396 PolarHBondContact O-OG 2.91Å; S396-Q398 PolarHBondContact O-N 3.36Å; S396-Q398 PolarHBondContact OG-N 3.47Å
397	G	87.9	Confident	82.4	Confident	11 Å²	11	45.3 Å²	45.3	11%	0.113	24%	0.238	C	C	.	.	S	Bend	trans	76.9	-1.6	-170.6	0	0	0	0	0	114.4	L395 Y399 S400	L395-G397 VanDerWaalsContact C-N 3.32Å; L395-G397 PolarHBondContact O-N 3.38Å; G397-Y399 PolarHBondContact O-N 3.45Å; G397-S400 PolarHBondContact O-N 3.25Å
398	Q	86.3	Confident	80.1	Confident	77 Å²	77	49.3 Å²	49.3	36%	0.36	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35	178.9	-178.4	176.7	-2.9	0	0	112.3	S396 K401	S396-Q398 PolarHBondContact O-N 3.36Å; S396-Q398 PolarHBondContact OG-N 3.47Å; Q398-K401 VanDerWaalsContact O-CE 3.28Å; Q398-K401 WeakPolarHBondContact O-CE 3.48Å
399	Y	87.3	Confident	77.7	Confident	36 Å²	36	55.2 Å²	55.2	14%	0.141	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.8	-176.8	-50	-75.4	0	0	0	113.1	Y53 G397 Q421 I424	Y53-Y399 HydrophobicContact CD2-CE2 4.23Å; Y53-Y399 PolarHBondContact N-OH 2.94Å; Y53-Y399 VanDerWaalsContact N-OH 3.15Å; G397-Y399 PolarHBondContact O-N 3.45Å; Y399-Q421 PolarHBondContact O-NE2 3.17Å; Y399-I424 VanDerWaalsContact CB-CG2 3.43Å; Y399-I424 HydrophobicContact CD1-CG2 4.03Å; Y399-I424 HydrophobicContact CD2-CG2 3.66Å; Y399-I424 HydrophobicContact CE2-CG2 4.41Å; Y399-I424 HydrophobicContact CG-CG2 3.42Å; Y399-I424 VanDerWaalsContact CG-CG2 3.42Å
400	S	87.1	Confident	75.2	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	32%	0.317	C	S	.	.			trans	-134	69.4	178	-175.6	0	0	0	0	109.5	Y331 G332 Y335 T336 G397 Q421	Y331-S400 VanDerWaalsContact CA-OG 3.27Å; Y331-S400 WeakPolarHBondContact CA-OG 3.43Å; G332-S400 WeakPolarHBondContact CA-O 3.29Å; G332-S400 PolarHBondContact N-O 3.39Å; G332-S400 PolarHBondContact N-OG 3.12Å; Y335-S400 PolarHBondContact O-OG 3.1Å; Y335-S400 VanDerWaalsContact O-OG 3.04Å; T336-S400 WeakPolarHBondContact OG1-CB 3.33Å; G397-S400 PolarHBondContact O-N 3.25Å; S400-Q421 PolarHBondContact OG-OE1 2.77Å
401	K	82.3	Confident	72.8	Confident	141 Å²	141	64 Å²	64	61%	0.613	33%	0.331	S	S	*	.			trans	-105.5	140.5	178.9	-66.5	177.9	-177.8	171	0	110	Q398	Q398-K401 VanDerWaalsContact O-CE 3.28Å; Q398-K401 WeakPolarHBondContact O-CE 3.48Å
402	P	75.1	Confident	70.4	Confident	86 Å²	86	69.6 Å²	69.6	56%	0.558	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-66.3	151.6	171.5	29.9	-34.2	0	0	0	110.1	Y331	Y331-P402 HydrophobicContact CD2-CB 4.14Å; Y331-P402 HydrophobicContact CE2-CB 4.44Å; Y331-P402 HydrophobicContact CG-CB 4.31Å
403	P	66.9	Low	67.9	Low	29 Å²	29	74.6 Å²	74.6	19%	0.188	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-57.7	146.6	173.8	26	-35.5	0	0	0	111	E407 P419	P403-E407 WeakPolarHBondContact CA-OE2 3.43Å; P403-E407 WeakPolarHBondContact CB-OE2 3.49Å; P403-P419 HydrophobicContact CB-CB 4.25Å; P403-P419 HydrophobicContact CG-CB 3.72Å; P403-P419 HydrophobicContact CG-CG 4.09Å
404	V	59.3	Low	65.4	Low	93 Å²	93	79.9 Å²	79.9	56%	0.564	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-72.4	147.5	-174.3	-173.2	0	0	0	0	109.5	S406 E407 L408	V404-S406 PolarHBondContact O-N 2.87Å; V404-E407 PolarHBondContact N-OE2 3.06Å; V404-E407 WeakPolarHBondContact O-CB 3.42Å; V404-E407 PolarHBondContact O-N 3.46Å; V404-L408 PolarHBondContact O-N 3.2Å
405	K	48.7	Very low	62.6	Low	176 Å²	176	89.3 Å²	89.3	77%	0.765	46%	0.457	S	S	*	.	H	α-helix	trans	-53.8	-23.8	-176.9	-76.6	-177.4	177.6	178.9	0	115.4
406	S	45.6	Very low	60	Low	77 Å²	77	96 Å²	96	54%	0.538	49%	0.488	S	S	.	.	H	α-helix	trans	-71.3	-41	174	50	0	0	0	0	112.1	V404 L408 I409	V404-S406 PolarHBondContact O-N 2.87Å; S406-L408 VanDerWaalsContact C-N 3.3Å; S406-L408 PolarHBondContact O-N 2.75Å; S406-I409 PolarHBondContact O-N 3.04Å
407	E	49.1	Very low	57.5	Low	89 Å²	89	99.6 Å²	99.6	42%	0.416	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-36.1	175.7	-62.7	168.7	162.5	0	0	110.6	P403 V404 I409 E410 Q411	P403-E407 WeakPolarHBondContact CA-OE2 3.43Å; P403-E407 WeakPolarHBondContact CB-OE2 3.49Å; V404-E407 PolarHBondContact N-OE2 3.06Å; V404-E407 WeakPolarHBondContact O-CB 3.42Å; V404-E407 PolarHBondContact O-N 3.46Å; E407-I409 VanDerWaalsContact C-N 3.28Å; E407-I409 PolarHBondContact O-N 3.45Å; E407-E410 PolarHBondContact O-N 3.23Å; E407-Q411 WeakPolarHBondContact O-CB 3.36Å; E407-Q411 VanDerWaalsContact O-CD 3.24Å; E407-Q411 WeakPolarHBondContact O-CG 3.43Å; E407-Q411 PolarHBondContact O-N 2.82Å; E407-Q411 PolarHBondContact O-OE1 2.94Å
408	L	46	Very low	55.4	Low	84 Å²	84	107.1 Å²	107.1	44%	0.44	53%	0.529	S	S	.	.	H	α-helix	trans	-60	-31.6	175.8	-90.1	147.1	0	0	0	113.9	V404 S406 V412	V404-L408 PolarHBondContact O-N 3.2Å; S406-L408 VanDerWaalsContact C-N 3.3Å; S406-L408 PolarHBondContact O-N 2.75Å; L408-V412 WeakPolarHBondContact O-CG2 3.29Å; L408-V412 PolarHBondContact O-N 3.3Å
409	I	45.3	Very low	53.3	Low	124 Å²	124	106 Å²	106	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-81.2	-39.1	-178.3	-64.2	171.1	0	0	0	111	S406 E407	S406-I409 PolarHBondContact O-N 3.04Å; E407-I409 VanDerWaalsContact C-N 3.28Å; E407-I409 PolarHBondContact O-N 3.45Å
410	E	44.8	Very low	51.8	Low	126 Å²	126	109.2 Å²	109.2	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-74	-30.9	173.6	-88.1	174.3	147.7	0	0	112.8	E407 M413 K414	E407-E410 PolarHBondContact O-N 3.23Å; E410-M413 WeakPolarHBondContact O-CB 3.41Å; E410-M413 PolarHBondContact O-N 3.07Å; E410-M413 VanDerWaalsContact O-N 3.11Å; E410-K414 PolarHBondContact O-N 3.08Å
411	Q	45.9	Very low	50.7	Low	61 Å²	61	110 Å²	110	29%	0.285	55%	0.548	S	S	.	.	H	α-helix	trans	-71.3	-29.4	177.3	-76.4	165.5	-2.7	0	0	113.3	E407 M413 K414	E407-Q411 WeakPolarHBondContact O-CB 3.36Å; E407-Q411 VanDerWaalsContact O-CD 3.24Å; E407-Q411 WeakPolarHBondContact O-CG 3.43Å; E407-Q411 PolarHBondContact O-N 2.82Å; E407-Q411 PolarHBondContact O-OE1 2.94Å; Q411-M413 PolarHBondContact O-N 2.69Å; Q411-K414 CarbonylContact O-C 2.85Å; Q411-K414 PolarHBondContact O-N 3.02Å; Q411-K414 VanDerWaalsContact O-O 3.09Å
412	V	45.5	Very low	50.1	Low	118 Å²	118	108.9 Å²	108.9	72%	0.715	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.1	170.5	171.7	0	0	0	0	111.4	L408	L408-V412 WeakPolarHBondContact O-CG2 3.29Å; L408-V412 PolarHBondContact O-N 3.3Å
413	M	43.8	Very low	50.5	Low	162 Å²	162	105.3 Å²	105.3	80%	0.798	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-14.9	177.4	-58.6	-169.3	75.7	0	0	114	E410 Q411	E410-M413 WeakPolarHBondContact O-CB 3.41Å; E410-M413 PolarHBondContact O-N 3.07Å; E410-M413 VanDerWaalsContact O-N 3.11Å; Q411-M413 PolarHBondContact O-N 2.69Å
414	K	43.4	Very low	51.6	Low	111 Å²	111	104.1 Å²	104.1	48%	0.483	52%	0.52	S	S	.	.	S	Bend	trans	-118.9	87.4	174.6	-72.1	179.7	-178.5	173.1	0	108.8	E410 Q411 E416	E410-K414 PolarHBondContact O-N 3.08Å; Q411-K414 CarbonylContact O-C 2.85Å; Q411-K414 PolarHBondContact O-N 3.02Å; Q411-K414 VanDerWaalsContact O-O 3.09Å; K414-E416 PolarHBondContact O-N 3.26Å
415	E	36.5	Very low	53.2	Low	199 Å²	199	100.8 Å²	100.8	93%	0.93	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-0.3	-175.9	-79.9	-172.6	145.4	0	0	116.4
416	E	40	Very low	55.2	Low	174 Å²	174	92.4 Å²	92.4	81%	0.813	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-18.4	-171.6	-69	-175	159.5	0	0	115.9	K414	K414-E416 PolarHBondContact O-N 3.26Å
417	H	40.2	Very low	57.3	Low	115 Å²	115	92.3 Å²	92.3	53%	0.532	45%	0.452	S	S	.	.			trans	-110.2	88	-173.3	-70.5	69.8	0	0	0	112.1
418	K	43.5	Very low	59.3	Low	169 Å²	169	88.3 Å²	88.3	74%	0.735	43%	0.434	S	S	*	.			trans	-61.1	133.4	171.1	-73.5	176.6	-175.7	163	0	109.5	Q420	K418-Q420 PolarHBondContact O-N 3.17Å
419	P	44.1	Very low	61.6	Low	53 Å²	53	84.3 Å²	84.3	34%	0.344	41%	0.413	S	S	.	.			trans	-65.7	102.4	178	25.8	-32.7	0	0	0	109.9	Y331 P403	Y331-P419 PolarHBondContact OH-O 3.46Å; P403-P419 HydrophobicContact CB-CB 4.25Å; P403-P419 HydrophobicContact CG-CB 3.72Å; P403-P419 HydrophobicContact CG-CG 4.09Å
420	Q	54.1	Low	63.8	Low	104 Å²	104	79.2 Å²	79.2	49%	0.486	39%	0.386	S	S	.	.			trans	-85.6	138.7	171.5	-67.6	-174.6	17.6	0	0	109	K418 H840	K418-Q420 PolarHBondContact O-N 3.17Å; Q420-H840 PolarHBondContact OE1-NE2 3.34Å
421	Q	65.2	Low	65.8	Low	18 Å²	18	75.8 Å²	75.8	8%	0.084	38%	0.379	C	S	.	.			trans	-70.8	130.7	174	-166.6	-164.3	-63.1	0	0	109.1	Y331 Y335 G337 Y399 S400 G423	Y331-Q421 HydrophobicContact CD1-CG 4.36Å; Y331-Q421 HydrophobicContact CE1-CB 4.11Å; Y331-Q421 HydrophobicContact CE1-CG 4.26Å; Y335-Q421 PolarHBondContact O-OE1 3.21Å; Y335-Q421 VanDerWaalsContact O-OE1 3.04Å; G337-Q421 VanDerWaalsContact N-NE2 3.13Å; Y399-Q421 PolarHBondContact O-NE2 3.17Å; S400-Q421 PolarHBondContact OG-OE1 2.77Å; Q421-G423 PolarHBondContact O-N 3.37Å
422	N	68.4	Low	67.9	Low	118 Å²	118	74.5 Å²	74.5	63%	0.631	37%	0.373	S	S	*	.			trans	-63.3	-27.4	177.3	-68.1	-6	0	0	0	112.7	K339	K339-N422 WeakPolarHBondContact CE-O 3.11Å; K339-N422 WeakPolarHBondContact CG-O 3.4Å
423	G	83.5	Confident	70	Confident	12 Å²	12	69 Å²	69	12%	0.124	34%	0.339	C	S	.	.			trans	62.7	-161.7	178	0	0	0	0	0	113.6	G337 Q421	G337-G423 CarbonylContact O-C 3.56Å; G337-G423 WeakPolarHBondContact O-CA 3.45Å; Q421-G423 PolarHBondContact O-N 3.37Å
424	I	91.6	Very high	72	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.021	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-121.2	149.7	174.8	66.4	-171.5	0	0	0	110.8	Y53 T336 G337 L338 K339 L390 L394 Y399 P426	Y53-I424 HydrophobicContact CD1-CB 4.18Å; Y53-I424 HydrophobicContact CD2-CB 4.02Å; Y53-I424 HydrophobicContact CD2-CD1 4.22Å; Y53-I424 HydrophobicContact CD2-CG2 3.92Å; Y53-I424 HydrophobicContact CE1-CB 4.34Å; Y53-I424 HydrophobicContact CE2-CB 4.18Å; Y53-I424 HydrophobicContact CE2-CD1 3.69Å; Y53-I424 HydrophobicContact CE2-CG1 4.31Å; Y53-I424 HydrophobicContact CE2-CG2 4.42Å; Y53-I424 HydrophobicContact CG-CB 4.01Å; Y53-I424 HydrophobicContact CG-CG2 4.09Å; T336-I424 HydrophobicContact CG2-CD1 4.32Å; T336-I424 HydrophobicContact CG2-CG1 4.3Å; T336-I424 HydrophobicContact CG2-CG2 3.92Å; G337-I424 PolarHBondContact O-N 3.03Å; L338-I424 CarbonylContact C-O 3.5Å; L338-I424 WeakPolarHBondContact CA-O 3.39Å; L338-I424 HydrophobicContact CD2-CD1 3.72Å; L338-I424 HydrophobicContact CD2-CG1 3.4Å; L338-I424 VanDerWaalsContact CD2-CG1 3.4Å; K339-I424 PolarHBondContact N-O 2.77Å; L390-I424 HydrophobicContact CD1-CD1 3.96Å; L394-I424 HydrophobicContact CD2-CD1 3.86Å; L394-I424 HydrophobicContact CG-CD1 4.04Å; Y399-I424 VanDerWaalsContact CB-CG2 3.43Å; Y399-I424 HydrophobicContact CD1-CG2 4.03Å; Y399-I424 HydrophobicContact CD2-CG2 3.66Å; Y399-I424 HydrophobicContact CE2-CG2 4.41Å; Y399-I424 HydrophobicContact CG-CG2 3.42Å; Y399-I424 VanDerWaalsContact CG-CG2 3.42Å; I424-P426 WeakPolarHBondContact O-CD 3.42Å
425	S	91.1	Very high	73.8	Confident	22 Å²	22	62.1 Å²	62.1	15%	0.154	31%	0.306	C	S	.	.			trans	-106.3	100.8	179.9	-164.9	0	0	0	0	109.6	Y53 L341 R427	Y53-S425 VanDerWaalsContact CE1-O 3.26Å; Y53-S425 WeakPolarHBondContact CE1-O 3.14Å; L341-S425 VanDerWaalsContact CD2-OG 3.25Å; L341-S425 WeakPolarHBondContact CD2-OG 3.39Å; S425-R427 PolarHBondContact O-N 2.9Å; S425-R427 PolarHBondContact OG-NE 2.7Å
426	P	92.2	Very high	75.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.			trans	-79.9	45.4	-172.2	35.4	-39.2	0	0	0	113.1	L338 L341 L347 L390 I424 F429 K430	L338-P426 HydrophobicContact CD2-CB 4.35Å; L338-P426 HydrophobicContact CD2-CG 4.02Å; L341-P426 HydrophobicContact CD1-CG 4.12Å; L347-P426 HydrophobicContact CD2-CG 4.22Å; L390-P426 HydrophobicContact CD1-CB 4.18Å; I424-P426 WeakPolarHBondContact O-CD 3.42Å; P426-F429 HydrophobicContact CB-CB 4.29Å; P426-F429 PolarHBondContact O-N 2.76Å; P426-K430 WeakPolarHBondContact O-CB 3.39Å; P426-K430 PolarHBondContact O-N 3.38Å
427	R	89.6	Confident	77.6	Confident	76 Å²	76	51.5 Å²	51.5	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-63.7	-47.8	-174.4	-67.7	179.1	-176.1	-160	3.8	112.2	D121 Y174 L341 S425 F429 K430 A431	D121-R427 IonicContact OD2-CZ 2.69Å; D121-R427 IonicContact OD2-NH1 2.63Å; D121-R427 PolarHBondContact OD2-NH1 3.15Å; Y174-R427 HydrophobicContact CD1-CB 4.45Å; Y174-R427 HydrophobicContact CE1-CB 4.45Å; L341-R427 HydrophobicContact CD1-CB 4.4Å; L341-R427 HydrophobicContact CD1-CG 3.87Å; L341-R427 HydrophobicContact CD2-CG 3.63Å; L341-R427 HydrophobicContact CG-CG 4.4Å; S425-R427 PolarHBondContact O-N 2.9Å; S425-R427 PolarHBondContact OG-NE 2.7Å; R427-F429 VanDerWaalsContact C-N 3.33Å; R427-F429 PolarHBondContact O-N 3.19Å; R427-K430 PolarHBondContact O-N 3.38Å; R427-A431 WeakPolarHBondContact O-CB 3.28Å; R427-A431 PolarHBondContact O-N 2.98Å
428	M	90.8	Very high	79.3	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-41.7	179.1	-165.3	176.7	-71.9	0	0	111.5	Y45 E48 Y174 T380 Q386 K389 F432	Y45-M428 HydrophobicContact CD1-CE 3.92Å; Y45-M428 HydrophobicContact CE1-CE 4.17Å; E48-M428 WeakPolarHBondContact OE1-CB 3.3Å; Y174-M428 WeakPolarHBondContact OH-CB 3.39Å; Y174-M428 VanDerWaalsContact OH-CE 3.29Å; Y174-M428 WeakPolarHBondContact OH-CE 3.35Å; T380-M428 HydrophobicContact CG2-CE 3.81Å; T380-M428 HydrophobicContact CG2-SD 3.67Å; Q386-M428 PolarHBondContact NE2-SD 2.98Å; Q386-M428 VanDerWaalsContact NE2-SD 3.37Å; Q386-M428 PolarHBondContact OE1-SD 3.11Å; Q386-M428 VanDerWaalsContact OE1-SD 3.32Å; K389-M428 PolarHBondContact NZ-SD 3.46Å; M428-F432 WeakPolarHBondContact O-CB 3.42Å; M428-F432 PolarHBondContact O-N 3.41Å
429	F	93.2	Very high	81	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-51.5	175.6	178.3	-99.9	0	0	0	111.8	L347 M351 Q386 M387 L390 P426 R427 A431 F432 V433 F451 L455	L347-F429 HydrophobicContact CD1-CD1 4.12Å; L347-F429 HydrophobicContact CD1-CE1 4.11Å; L347-F429 HydrophobicContact CD2-CD1 4.27Å; L347-F429 HydrophobicContact CD2-CE1 4.32Å; L347-F429 HydrophobicContact CG-CE1 4.28Å; M351-F429 HydrophobicContact CE-CE1 4.23Å; M351-F429 HydrophobicContact CE-CZ 3.75Å; M351-F429 HydrophobicContact CG-CE1 3.94Å; M351-F429 HydrophobicContact CG-CZ 4.41Å; M351-F429 HydrophobicContact SD-CE1 3.94Å; M351-F429 HydrophobicContact SD-CZ 3.85Å; Q386-F429 HydrophobicContact CB-CD2 4.11Å; M387-F429 HydrophobicContact CG-CE2 4.15Å; M387-F429 HydrophobicContact SD-CE2 3.46Å; M387-F429 WeakPolarHBondContact SD-CE2 3.08Å; M387-F429 HydrophobicContact SD-CZ 3.85Å; L390-F429 HydrophobicContact CD2-CD1 3.69Å; L390-F429 HydrophobicContact CD2-CD2 4.06Å; L390-F429 HydrophobicContact CD2-CE1 3.73Å; L390-F429 HydrophobicContact CD2-CE2 4.12Å; L390-F429 HydrophobicContact CD2-CG 3.85Å; L390-F429 HydrophobicContact CD2-CZ 3.95Å; P426-F429 HydrophobicContact CB-CB 4.29Å; P426-F429 PolarHBondContact O-N 2.76Å; R427-F429 VanDerWaalsContact C-N 3.33Å; R427-F429 PolarHBondContact O-N 3.19Å; F429-A431 VanDerWaalsContact C-N 3.34Å; F429-A431 PolarHBondContact O-N 3.34Å; F429-F432 PolarHBondContact O-N 3Å; F429-F432 VanDerWaalsContact O-N 3.09Å; F429-V433 HydrophobicContact CD1-CG1 4.41Å; F429-V433 HydrophobicContact CD1-CG2 4.4Å; F429-V433 HydrophobicContact CD2-CG1 4.06Å; F429-V433 HydrophobicContact CE1-CG1 3.95Å; F429-V433 HydrophobicContact CE1-CG2 4.13Å; F429-V433 HydrophobicContact CE2-CG1 3.53Å; F429-V433 HydrophobicContact CG-CG1 4.47Å; F429-V433 HydrophobicContact CZ-CG1 3.49Å; F429-V433 VanDerWaalsContact CZ-CG1 3.49Å; F429-V433 HydrophobicContact CZ-CG2 4.49Å; F429-V433 WeakPolarHBondContact O-CG2 3.01Å; F429-V433 PolarHBondContact O-N 3.4Å; F429-F451 HydrophobicContact CE1-CZ 4.44Å; F429-L455 HydrophobicContact CZ-CD1 4.36Å
430	K	91.4	Very high	83	Confident	16 Å²	16	42.6 Å²	42.6	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-54.6	-50.1	176.4	-175.6	-172.9	-178.5	-167.9	0	110.5	L341 L347 P426 R427 F432 V433 S434 N443	L341-K430 HydrophobicContact CB-CD 4.25Å; L341-K430 HydrophobicContact CD1-CB 4.18Å; L341-K430 HydrophobicContact CD1-CD 3.9Å; L341-K430 PolarHBondContact O-NZ 3.02Å; L347-K430 HydrophobicContact CD1-CB 4.08Å; L347-K430 HydrophobicContact CD1-CG 4.16Å; P426-K430 WeakPolarHBondContact O-CB 3.39Å; P426-K430 PolarHBondContact O-N 3.38Å; R427-K430 PolarHBondContact O-N 3.38Å; K430-F432 PolarHBondContact O-N 3.27Å; K430-V433 PolarHBondContact O-N 2.94Å; K430-S434 WeakPolarHBondContact O-CB 3.28Å; K430-S434 PolarHBondContact O-N 2.87Å; K430-S434 PolarHBondContact O-OG 2.68Å; K430-N443 PolarHBondContact NZ-OD1 3.16Å
431	A	88.1	Confident	84.1	Confident	54 Å²	54	40.4 Å²	40.4	45%	0.446	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-34.3	179.7	0	0	0	0	0	112.9	Y174 R427 F429	Y174-A431 HydrophobicContact CD1-CB 4.43Å; Y174-A431 HydrophobicContact CE1-CB 4.25Å; R427-A431 WeakPolarHBondContact O-CB 3.28Å; R427-A431 PolarHBondContact O-N 2.98Å; F429-A431 VanDerWaalsContact C-N 3.34Å; F429-A431 PolarHBondContact O-N 3.34Å
432	F	89.9	Confident	84.6	Confident	34 Å²	34	40.6 Å²	40.6	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-74	-56.2	177.1	-176.2	-90.4	0	0	0	112.5	Q381 F383 Q386 M428 F429 K430 S434 K435	Q381-F432 WeakPolarHBondContact O-CE2 3.43Å; F383-F432 HydrophobicContact CB-CD1 4.48Å; F383-F432 HydrophobicContact CB-CE1 3.53Å; F383-F432 HydrophobicContact CB-CZ 3.87Å; F383-F432 HydrophobicContact CD2-CD1 4.2Å; F383-F432 AromaticContact CD2-CE1 3.73Å; F383-F432 HydrophobicContact CD2-CE1 3.73Å; F383-F432 HydrophobicContact CG-CE1 4.12Å; Q386-F432 HydrophobicContact CG-CB 4.47Å; M428-F432 WeakPolarHBondContact O-CB 3.42Å; M428-F432 PolarHBondContact O-N 3.41Å; F429-F432 PolarHBondContact O-N 3Å; F429-F432 VanDerWaalsContact O-N 3.09Å; K430-F432 PolarHBondContact O-N 3.27Å; F432-S434 PolarHBondContact O-N 3.13Å; F432-K435 WeakPolarHBondContact O-CB 3.39Å; F432-K435 PolarHBondContact O-N 3.01Å
433	V	89.5	Confident	84.8	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-24.9	-174.9	-60	0	0	0	0	112.7	L347 F429 K430 F451 H454 L458	L347-V433 HydrophobicContact CD1-CG2 4.31Å; F429-V433 HydrophobicContact CD1-CG1 4.41Å; F429-V433 HydrophobicContact CD1-CG2 4.4Å; F429-V433 HydrophobicContact CD2-CG1 4.06Å; F429-V433 HydrophobicContact CE1-CG1 3.95Å; F429-V433 HydrophobicContact CE1-CG2 4.13Å; F429-V433 HydrophobicContact CE2-CG1 3.53Å; F429-V433 HydrophobicContact CG-CG1 4.47Å; F429-V433 HydrophobicContact CZ-CG1 3.49Å; F429-V433 VanDerWaalsContact CZ-CG1 3.49Å; F429-V433 HydrophobicContact CZ-CG2 4.49Å; F429-V433 WeakPolarHBondContact O-CG2 3.01Å; F429-V433 PolarHBondContact O-N 3.4Å; K430-V433 PolarHBondContact O-N 2.94Å; V433-F451 HydrophobicContact CG2-CE2 3.99Å; V433-F451 HydrophobicContact CG2-CZ 4.27Å; V433-H454 PolarHBondContact O-NE2 2.73Å; V433-L458 HydrophobicContact CB-CD1 3.99Å; V433-L458 HydrophobicContact CG1-CD1 4.11Å
434	S	85.4	Confident	84.4	Confident	7 Å²	7	44 Å²	44	5%	0.049	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.5	176.4	-65.4	0	0	0	0	114.1	K430 F432 S436 H437 F440 S441	K430-S434 WeakPolarHBondContact O-CB 3.28Å; K430-S434 PolarHBondContact O-N 2.87Å; K430-S434 PolarHBondContact O-OG 2.68Å; F432-S434 PolarHBondContact O-N 3.13Å; S434-S436 PolarHBondContact O-N 2.9Å; S434-H437 PolarHBondContact O-N 3.4Å; S434-H437 VanDerWaalsContact O-N 3.17Å; S434-F440 VanDerWaalsContact CB-C 3.4Å; S434-F440 WeakPolarHBondContact CB-O 3.49Å; S434-F440 VanDerWaalsContact OG-C 3.32Å; S434-F440 WeakPolarHBondContact OG-CB 3.36Å; S434-F440 PolarHBondContact OG-O 3.18Å; S434-S441 WeakPolarHBondContact O-CB 3.34Å
435	K	81.7	Confident	83.6	Confident	122 Å²	122	47 Å²	47	53%	0.53	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	128	-174.6	-172.3	178	-179.6	-179.5	0	110.2	F432 H437	F432-K435 WeakPolarHBondContact O-CB 3.39Å; F432-K435 PolarHBondContact O-N 3.01Å; K435-H437 PolarHBondContact O-N 2.79Å
436	S	74.1	Confident	83.4	Confident	106 Å²	106	46.8 Å²	46.8	74%	0.741	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	5.4	-179	-50.3	0	0	0	0	116	S434	S434-S436 PolarHBondContact O-N 2.9Å
437	H	81.2	Confident	83.4	Confident	43 Å²	43	48.4 Å²	48.4	20%	0.199	26%	0.259	C	S	.	.			trans	-89	123.9	176.5	-163.2	-74	0	0	0	111	S434 K435 E439 F440 S441 H454	S434-H437 PolarHBondContact O-N 3.4Å; S434-H437 VanDerWaalsContact O-N 3.17Å; K435-H437 PolarHBondContact O-N 2.79Å; H437-E439 VanDerWaalsContact C-N 3.29Å; H437-E439 PolarHBondContact ND1-N 2.97Å; H437-E439 VanDerWaalsContact ND1-N 3.17Å; H437-E439 PolarHBondContact O-N 2.94Å; H437-F440 HydrophobicContact CB-CB 4.28Å; H437-F440 HydrophobicContact CB-CD2 4.16Å; H437-F440 AromaticContact CD2-CD2 3.66Å; H437-F440 AromaticContact CD2-CE2 3.98Å; H437-F440 AromaticContact CE1-CD2 3.42Å; H437-F440 VanDerWaalsContact CE1-CD2 3.42Å; H437-F440 WeakPolarHBondContact CE1-CD2 3.26Å; H437-F440 AromaticContact CE1-CE2 3.39Å; H437-F440 WeakPolarHBondContact CE1-CE2 3.07Å; H437-F440 AromaticContact CG-CD2 3.44Å; H437-F440 VanDerWaalsContact CG-CD2 3.44Å; H437-F440 AromaticContact ND1-CD2 3.28Å; H437-F440 VanDerWaalsContact ND1-CD2 3.28Å; H437-F440 WeakPolarHBondContact ND1-CD2 3.33Å; H437-F440 AromaticContact ND1-CE2 3.79Å; H437-F440 AromaticContact ND1-CG 3.98Å; H437-F440 PolarHBondContact ND1-N 2.96Å; H437-F440 AromaticContact NE2-CD2 3.66Å; H437-F440 AromaticContact NE2-CE2 3.52Å; H437-S441 WeakPolarHBondContact O-CB 3.26Å; H437-S441 PolarHBondContact O-N 3.37Å; H437-S441 VanDerWaalsContact O-N 3.08Å; H437-S441 PolarHBondContact O-OG 3.31Å; H437-H454 AromaticContact CD2-CE1 3.64Å; H437-H454 AromaticContact CD2-ND1 3.73Å
438	P	77.2	Confident	83.6	Confident	99 Å²	99	44.8 Å²	44.8	64%	0.643	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.2	-176.7	-25.7	33.9	0	0	0	113.8	R444	P438-R444 PolarHBondContact O-NH2 3.22Å
439	E	78	Confident	83.9	Confident	51 Å²	51	45.8 Å²	45.8	24%	0.238	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-64.6	178.6	-64.9	-63	133.7	0	0	112.3	H437 S441 S442 R444 Q446	H437-E439 VanDerWaalsContact C-N 3.29Å; H437-E439 PolarHBondContact ND1-N 2.97Å; H437-E439 VanDerWaalsContact ND1-N 3.17Å; H437-E439 PolarHBondContact O-N 2.94Å; E439-S441 VanDerWaalsContact C-N 3.31Å; E439-S441 PolarHBondContact O-N 2.97Å; E439-S442 PolarHBondContact O-N 2.93Å; E439-S442 PolarHBondContact O-OG 3.18Å; E439-R444 VanDerWaalsContact CD-NH1 3.27Å; E439-R444 IonicContact OE1-CZ 3.58Å; E439-R444 IonicContact OE1-NH1 3.45Å; E439-R444 PolarHBondContact OE1-NH1 2.72Å; E439-R444 IonicContact OE1-NH2 3.04Å; E439-R444 PolarHBondContact OE1-NH2 2.92Å; E439-R444 IonicContact OE2-CZ 3.04Å; E439-R444 IonicContact OE2-NE 3.58Å; E439-R444 PolarHBondContact OE2-NE 2.92Å; E439-R444 IonicContact OE2-NH1 3.52Å; E439-R444 PolarHBondContact OE2-NH1 2.84Å; E439-R444 IonicContact OE2-NH2 3.42Å; E439-R444 PolarHBondContact OE2-NH2 3.41Å; E439-Q446 PolarHBondContact O-NE2 2.92Å; E439-Q446 PolarHBondContact OE2-NE2 3.41Å; E439-Q446 PolarHBondContact OE2-OE1 3.5Å; E439-Q446 VanDerWaalsContact OE2-OE1 3.1Å
440	F	85.9	Confident	84	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.2	-171.1	-53.7	-59.6	0	0	0	115.5	Y346 S434 H437 S442 Q446 E450 F451 H454	Y346-F440 AromaticContact CE2-CD1 3.78Å; Y346-F440 HydrophobicContact CE2-CD1 3.78Å; Y346-F440 HydrophobicContact CE2-CE1 4.02Å; S434-F440 VanDerWaalsContact CB-C 3.4Å; S434-F440 WeakPolarHBondContact CB-O 3.49Å; S434-F440 VanDerWaalsContact OG-C 3.32Å; S434-F440 WeakPolarHBondContact OG-CB 3.36Å; S434-F440 PolarHBondContact OG-O 3.18Å; H437-F440 HydrophobicContact CB-CB 4.28Å; H437-F440 HydrophobicContact CB-CD2 4.16Å; H437-F440 AromaticContact CD2-CD2 3.66Å; H437-F440 AromaticContact CD2-CE2 3.98Å; H437-F440 AromaticContact CE1-CD2 3.42Å; H437-F440 VanDerWaalsContact CE1-CD2 3.42Å; H437-F440 WeakPolarHBondContact CE1-CD2 3.26Å; H437-F440 AromaticContact CE1-CE2 3.39Å; H437-F440 WeakPolarHBondContact CE1-CE2 3.07Å; H437-F440 AromaticContact CG-CD2 3.44Å; H437-F440 VanDerWaalsContact CG-CD2 3.44Å; H437-F440 AromaticContact ND1-CD2 3.28Å; H437-F440 VanDerWaalsContact ND1-CD2 3.28Å; H437-F440 WeakPolarHBondContact ND1-CD2 3.33Å; H437-F440 AromaticContact ND1-CE2 3.79Å; H437-F440 AromaticContact ND1-CG 3.98Å; H437-F440 PolarHBondContact ND1-N 2.96Å; H437-F440 AromaticContact NE2-CD2 3.66Å; H437-F440 AromaticContact NE2-CE2 3.52Å; F440-S442 PolarHBondContact O-N 3.44Å; F440-Q446 HydrophobicContact CD1-CB 4.11Å; F440-Q446 HydrophobicContact CD1-CG 3.9Å; F440-Q446 HydrophobicContact CE1-CB 3.85Å; F440-Q446 HydrophobicContact CE1-CG 4.1Å; F440-E450 HydrophobicContact CZ-CB 4.27Å; F440-E450 HydrophobicContact CZ-CG 3.95Å; F440-F451 AromaticContact CD1-CD2 3.96Å; F440-F451 HydrophobicContact CD1-CD2 3.96Å; F440-F451 HydrophobicContact CE1-CB 3.77Å; F440-F451 AromaticContact CE1-CD2 3.86Å; F440-F451 HydrophobicContact CE1-CD2 3.86Å; F440-F451 HydrophobicContact CE1-CG 4.3Å; F440-F451 HydrophobicContact CE2-CD2 4.48Å; F440-F451 HydrophobicContact CG-CD2 4.34Å; F440-F451 HydrophobicContact CZ-CB 3.91Å; F440-F451 HydrophobicContact CZ-CD2 4.16Å; F440-H454 HydrophobicContact CD2-CB 4.48Å; F440-H454 AromaticContact CD2-CD2 3.59Å; F440-H454 HydrophobicContact CE2-CB 3.73Å; F440-H454 AromaticContact CE2-CD2 3.72Å; F440-H454 AromaticContact CE2-CG 3.75Å; F440-H454 HydrophobicContact CZ-CB 4.4Å
441	S	79	Confident	84.2	Confident	58 Å²	58	48.5 Å²	48.5	41%	0.406	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.1	175.2	65.4	0	0	0	0	113.8	K176 S434 H437 E439	K176-S441 PolarHBondContact NZ-O 3.35Å; S434-S441 WeakPolarHBondContact O-CB 3.34Å; H437-S441 WeakPolarHBondContact O-CB 3.26Å; H437-S441 PolarHBondContact O-N 3.37Å; H437-S441 VanDerWaalsContact O-N 3.08Å; H437-S441 PolarHBondContact O-OG 3.31Å; E439-S441 VanDerWaalsContact C-N 3.31Å; E439-S441 PolarHBondContact O-N 2.97Å
442	S	74.8	Confident	84.6	Confident	22 Å²	22	46 Å²	46	15%	0.154	24%	0.242	C	C	.	.	S	Bend	trans	-84.8	161.9	172.6	70.3	0	0	0	0	111.4	E439 F440 R444	E439-S442 PolarHBondContact O-N 2.93Å; E439-S442 PolarHBondContact O-OG 3.18Å; F440-S442 PolarHBondContact O-N 3.44Å; S442-R444 VanDerWaalsContact C-N 3.29Å; S442-R444 VanDerWaalsContact OG-CG 3.26Å; S442-R444 WeakPolarHBondContact OG-CG 3.35Å; S442-R444 PolarHBondContact OG-NE 3.22Å
443	N	73.4	Confident	84.9	Confident	90 Å²	90	46.7 Å²	46.7	48%	0.481	25%	0.247	S	C	.	.	S	Bend	trans	-94.3	22.7	174.9	-71.3	-30.6	0	0	0	112.2	N343 K430	N343-N443 PolarHBondContact ND2-O 3.49Å; K430-N443 PolarHBondContact NZ-OD1 3.16Å
444	R	74	Confident	85.1	Confident	111 Å²	111	47.8 Å²	47.8	42%	0.419	25%	0.252	S	S	.	.	S	Bend	trans	-81.1	166.2	177	78.4	-175	132.5	151	-6	111.4	P438 E439 S442 Q446	P438-R444 PolarHBondContact O-NH2 3.22Å; E439-R444 VanDerWaalsContact CD-NH1 3.27Å; E439-R444 IonicContact OE1-CZ 3.58Å; E439-R444 IonicContact OE1-NH1 3.45Å; E439-R444 PolarHBondContact OE1-NH1 2.72Å; E439-R444 IonicContact OE1-NH2 3.04Å; E439-R444 PolarHBondContact OE1-NH2 2.92Å; E439-R444 IonicContact OE2-CZ 3.04Å; E439-R444 IonicContact OE2-NE 3.58Å; E439-R444 PolarHBondContact OE2-NE 2.92Å; E439-R444 IonicContact OE2-NH1 3.52Å; E439-R444 PolarHBondContact OE2-NH1 2.84Å; E439-R444 IonicContact OE2-NH2 3.42Å; E439-R444 PolarHBondContact OE2-NH2 3.41Å; S442-R444 VanDerWaalsContact C-N 3.29Å; S442-R444 VanDerWaalsContact OG-CG 3.26Å; S442-R444 WeakPolarHBondContact OG-CG 3.35Å; S442-R444 PolarHBondContact OG-NE 3.22Å; R444-Q446 HydrophobicContact CG-CG 4.45Å; R444-Q446 VanDerWaalsContact NE-NE2 3.2Å
445	Q	75.6	Confident	85.6	Confident	68 Å²	68	47.5 Å²	47.5	32%	0.318	25%	0.25	S	C	.	.			trans	-68.8	140	171.7	-65.1	-175.7	-3.1	0	0	110	N343 G822	N343-Q445 HydrophobicContact CB-CB 4.49Å; N343-Q445 HydrophobicContact CB-CG 3.64Å; N343-Q445 VanDerWaalsContact CG-CG 3.41Å; N343-Q445 VanDerWaalsContact OD1-CG 3.26Å; N343-Q445 WeakPolarHBondContact OD1-CG 3.34Å; N343-Q445 PolarHBondContact OD1-NE2 3.15Å; Q445-G822 PolarHBondContact NE2-O 3.18Å; Q445-G822 PolarHBondContact OE1-O 3.23Å
446	Q	86.5	Confident	86.1	Confident	17 Å²	17	41.8 Å²	41.8	8%	0.079	23%	0.225	C	C	.	.			trans	-133.6	161.2	-175.6	-60.6	-63.9	-0.8	0	0	111.5	Y346 E439 F440 R444 Y824	Y346-Q446 WeakPolarHBondContact CB-O 3.35Å; Y346-Q446 HydrophobicContact CD1-CB 3.77Å; Y346-Q446 HydrophobicContact CD1-CG 4.46Å; Y346-Q446 HydrophobicContact CD2-CB 4.13Å; Y346-Q446 HydrophobicContact CE1-CB 3.6Å; Y346-Q446 HydrophobicContact CE1-CG 3.82Å; Y346-Q446 HydrophobicContact CE2-CB 4.02Å; Y346-Q446 HydrophobicContact CE2-CG 4.48Å; Y346-Q446 HydrophobicContact CG-CB 4.03Å; E439-Q446 PolarHBondContact O-NE2 2.92Å; E439-Q446 PolarHBondContact OE2-NE2 3.41Å; E439-Q446 PolarHBondContact OE2-OE1 3.5Å; E439-Q446 VanDerWaalsContact OE2-OE1 3.1Å; F440-Q446 HydrophobicContact CD1-CB 4.11Å; F440-Q446 HydrophobicContact CD1-CG 3.9Å; F440-Q446 HydrophobicContact CE1-CB 3.85Å; F440-Q446 HydrophobicContact CE1-CG 4.1Å; R444-Q446 HydrophobicContact CG-CG 4.45Å; R444-Q446 VanDerWaalsContact NE-NE2 3.2Å; Q446-Y824 VanDerWaalsContact O-CE2 3.25Å; Q446-Y824 WeakPolarHBondContact O-CE2 3.47Å
447	D	91.9	Very high	86.9	Confident	34 Å²	34	40.3 Å²	40.3	18%	0.182	21%	0.209	C	C	.	.			trans	-78.8	137.5	178.9	-174.5	-93.1	0	0	0	112.3	Q449 E450 F451 Y824 Y854	D447-Q449 WeakPolarHBondContact OD1-CA 3.35Å; D447-Q449 VanDerWaalsContact OD1-CB 3.23Å; D447-Q449 WeakPolarHBondContact OD1-CB 3.33Å; D447-Q449 PolarHBondContact OD1-N 3.34Å; D447-E450 HydrophobicContact CB-CB 4.13Å; D447-E450 PolarHBondContact OD1-N 2.85Å; D447-E450 VanDerWaalsContact OD1-N 3.1Å; D447-F451 PolarHBondContact O-N 2.88Å; D447-F451 VanDerWaalsContact O-N 3.12Å; D447-Y824 PolarHBondContact OD2-OH 3.02Å; D447-Y854 PolarHBondContact OD1-OH 2.83Å; D447-Y854 VanDerWaalsContact OD1-OH 3.06Å; D447-Y854 VanDerWaalsContact OD2-CE1 3.29Å; D447-Y854 WeakPolarHBondContact OD2-CE1 3.47Å; D447-Y854 PolarHBondContact OD2-OH 2.73Å
448	A	94.6	Very high	87.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.5	-32.4	-178.5	0	0	0	0	0	113.1	V350 F452 I812 Y824 Y854 M855	V350-A448 HydrophobicContact CG2-CB 4.08Å; V350-A448 WeakPolarHBondContact CG2-O 3.35Å; A448-F452 WeakPolarHBondContact O-CB 3.41Å; A448-F452 PolarHBondContact O-N 3.15Å; A448-I812 HydrophobicContact CB-CG2 4.22Å; A448-Y824 HydrophobicContact CB-CD1 3.92Å; A448-Y824 HydrophobicContact CB-CE1 3.53Å; A448-Y824 HydrophobicContact CB-CE2 4.41Å; A448-Y824 HydrophobicContact CB-CG 4.47Å; A448-Y824 PolarHBondContact N-OH 3.03Å; A448-Y854 HydrophobicContact CB-CE1 4.4Å; A448-M855 HydrophobicContact CB-SD 3.96Å
449	Q	95.8	Very high	88.1	Confident	26 Å²	26	34.6 Å²	34.6	12%	0.121	17%	0.174	C	C	.	.	H	α-helix	trans	-73.9	-40.4	178.7	176.9	-90.5	-13.6	0	0	110.9	D447 F451 F452 L453 L498 Q584 Y854 M855	D447-Q449 WeakPolarHBondContact OD1-CA 3.35Å; D447-Q449 VanDerWaalsContact OD1-CB 3.23Å; D447-Q449 WeakPolarHBondContact OD1-CB 3.33Å; D447-Q449 PolarHBondContact OD1-N 3.34Å; Q449-F451 VanDerWaalsContact C-N 3.34Å; Q449-F451 PolarHBondContact O-N 3.45Å; Q449-F452 PolarHBondContact O-N 3.07Å; Q449-L453 PolarHBondContact O-N 2.62Å; Q449-L498 HydrophobicContact CG-CD2 3.88Å; Q449-L498 VanDerWaalsContact NE2-CD2 3.32Å; Q449-Q584 HydrophobicContact CG-CG 4.31Å; Q449-Y854 HydrophobicContact CB-CE1 4.21Å; Q449-M855 WeakPolarHBondContact CA-SD 3.37Å; Q449-M855 HydrophobicContact CB-CE 3.95Å; Q449-M855 HydrophobicContact CB-CG 4.36Å; Q449-M855 HydrophobicContact CB-SD 3.65Å; Q449-M855 HydrophobicContact CG-CE 4.25Å; Q449-M855 PolarHBondContact N-SD 3.36Å; Q449-M855 VanDerWaalsContact N-SD 3.4Å
450	E	95	Very high	88.5	Confident	72 Å²	72	32.9 Å²	32.9	34%	0.336	17%	0.166	S	C	.	.	H	α-helix	trans	-60.3	-45.8	173.4	-167	-176.4	167.8	0	0	110.9	F440 D447 F452 L453 H454	F440-E450 HydrophobicContact CZ-CB 4.27Å; F440-E450 HydrophobicContact CZ-CG 3.95Å; D447-E450 HydrophobicContact CB-CB 4.13Å; D447-E450 PolarHBondContact OD1-N 2.85Å; D447-E450 VanDerWaalsContact OD1-N 3.1Å; E450-F452 PolarHBondContact O-N 3.07Å; E450-L453 PolarHBondContact O-N 2.69Å; E450-H454 WeakPolarHBondContact O-CB 3.48Å; E450-H454 PolarHBondContact O-N 2.83Å
451	F	96.4	Very high	88.5	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-38.8	176.4	-177	-104.8	0	0	0	112.8	Y346 L347 V350 M351 F429 V433 F440 D447 Q449 H454 L455	Y346-F451 HydrophobicContact CD2-CB 3.75Å; Y346-F451 HydrophobicContact CD2-CD1 4.19Å; Y346-F451 HydrophobicContact CD2-CD2 4.1Å; Y346-F451 AromaticContact CD2-CG 3.73Å; Y346-F451 HydrophobicContact CD2-CG 3.73Å; Y346-F451 HydrophobicContact CE2-CB 4.15Å; Y346-F451 AromaticContact CE2-CD2 3.73Å; Y346-F451 HydrophobicContact CE2-CD2 3.73Å; Y346-F451 HydrophobicContact CE2-CE2 4.29Å; Y346-F451 AromaticContact CE2-CG 3.87Å; Y346-F451 HydrophobicContact CE2-CG 3.87Å; L347-F451 HydrophobicContact CB-CD1 4.5Å; L347-F451 HydrophobicContact CB-CE1 4.01Å; L347-F451 HydrophobicContact CB-CZ 4.03Å; L347-F451 HydrophobicContact CD1-CE2 4.14Å; L347-F451 HydrophobicContact CD1-CZ 3.76Å; L347-F451 HydrophobicContact CG-CE1 3.87Å; L347-F451 HydrophobicContact CG-CE2 4.35Å; L347-F451 HydrophobicContact CG-CZ 3.6Å; V350-F451 HydrophobicContact CB-CD1 3.84Å; V350-F451 HydrophobicContact CB-CE1 4.16Å; V350-F451 HydrophobicContact CG1-CD1 3.94Å; V350-F451 HydrophobicContact CG1-CE1 4.16Å; V350-F451 HydrophobicContact CG2-CD1 4.06Å; M351-F451 HydrophobicContact CG-CE1 4.35Å; M351-F451 HydrophobicContact SD-CE1 4.06Å; M351-F451 HydrophobicContact SD-CZ 4.45Å; F429-F451 HydrophobicContact CE1-CZ 4.44Å; V433-F451 HydrophobicContact CG2-CE2 3.99Å; V433-F451 HydrophobicContact CG2-CZ 4.27Å; F440-F451 AromaticContact CD1-CD2 3.96Å; F440-F451 HydrophobicContact CD1-CD2 3.96Å; F440-F451 HydrophobicContact CE1-CB 3.77Å; F440-F451 AromaticContact CE1-CD2 3.86Å; F440-F451 HydrophobicContact CE1-CD2 3.86Å; F440-F451 HydrophobicContact CE1-CG 4.3Å; F440-F451 HydrophobicContact CE2-CD2 4.48Å; F440-F451 HydrophobicContact CG-CD2 4.34Å; F440-F451 HydrophobicContact CZ-CB 3.91Å; F440-F451 HydrophobicContact CZ-CD2 4.16Å; D447-F451 PolarHBondContact O-N 2.88Å; D447-F451 VanDerWaalsContact O-N 3.12Å; Q449-F451 VanDerWaalsContact C-N 3.34Å; Q449-F451 PolarHBondContact O-N 3.45Å; F451-H454 PolarHBondContact O-N 3.46Å; F451-L455 WeakPolarHBondContact O-CB 3.14Å; F451-L455 PolarHBondContact O-N 3.29Å
452	F	97.3	Very high	88.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-48.2	175.1	168.2	-98.4	0	0	0	111.8	V350 I354 A448 Q449 E450 L455 V456 F473 L498 V582 M855 F857	V350-F452 HydrophobicContact CG1-CB 4.2Å; V350-F452 HydrophobicContact CG1-CD2 4.35Å; V350-F452 HydrophobicContact CG2-CB 4.44Å; I354-F452 HydrophobicContact CD1-CD2 4.04Å; I354-F452 HydrophobicContact CD1-CE2 3.81Å; A448-F452 WeakPolarHBondContact O-CB 3.41Å; A448-F452 PolarHBondContact O-N 3.15Å; Q449-F452 PolarHBondContact O-N 3.07Å; E450-F452 PolarHBondContact O-N 3.07Å; F452-L455 WeakPolarHBondContact O-CB 3.47Å; F452-L455 PolarHBondContact O-N 3.43Å; F452-V456 HydrophobicContact CD1-CG2 4.47Å; F452-V456 HydrophobicContact CD2-CG2 4.39Å; F452-V456 HydrophobicContact CE1-CG2 4.02Å; F452-V456 HydrophobicContact CE2-CG2 3.94Å; F452-V456 HydrophobicContact CZ-CG2 3.73Å; F452-V456 WeakPolarHBondContact O-CG2 3.44Å; F452-V456 PolarHBondContact O-N 3.42Å; F452-F473 HydrophobicContact CE2-CD2 4.27Å; F452-F473 AromaticContact CE2-CE2 3.94Å; F452-F473 HydrophobicContact CE2-CE2 3.94Å; F452-F473 HydrophobicContact CE2-CZ 4.08Å; F452-F473 HydrophobicContact CZ-CD1 4.42Å; F452-F473 HydrophobicContact CZ-CD2 4.01Å; F452-F473 HydrophobicContact CZ-CE2 4.16Å; F452-F473 HydrophobicContact CZ-CG 4.14Å; F452-F473 HydrophobicContact CZ-CZ 4.44Å; F452-L498 HydrophobicContact CD1-CD2 4.48Å; F452-V582 HydrophobicContact CE1-CG1 4.33Å; F452-V582 HydrophobicContact CE1-CG2 4.37Å; F452-V582 HydrophobicContact CE2-CG2 4.47Å; F452-V582 HydrophobicContact CZ-CG1 4.46Å; F452-V582 HydrophobicContact CZ-CG2 3.84Å; F452-M855 HydrophobicContact CB-CE 3.91Å; F452-M855 HydrophobicContact CD1-CE 4.08Å; F452-M855 HydrophobicContact CG-CE 3.99Å; F452-F857 HydrophobicContact CD2-CE1 4.5Å; F452-F857 HydrophobicContact CE2-CE1 4.11Å
453	L	95.3	Very high	89	Confident	50 Å²	50	40.9 Å²	40.9	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-64.2	-41.5	177.1	-77.5	-173.9	0	0	0	112.2	Q449 E450 L455 V456 N457 L498	Q449-L453 PolarHBondContact O-N 2.62Å; E450-L453 PolarHBondContact O-N 2.69Å; L453-L455 VanDerWaalsContact C-N 3.3Å; L453-L455 PolarHBondContact O-N 3.3Å; L453-V456 PolarHBondContact O-N 3.1Å; L453-N457 PolarHBondContact O-N 3.36Å; L453-N457 PolarHBondContact O-ND2 3.4Å; L453-L498 HydrophobicContact CD1-CD2 3.94Å; L453-L498 HydrophobicContact CD2-CD2 3.52Å; L453-L498 HydrophobicContact CG-CD2 3.7Å
454	H	94.8	Very high	88.8	Confident	25 Å²	25	38.3 Å²	38.3	12%	0.116	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-45	173.9	177.4	56.1	0	0	0	111.3	V433 H437 F440 E450 F451 N457 L458	V433-H454 PolarHBondContact O-NE2 2.73Å; H437-H454 AromaticContact CD2-CE1 3.64Å; H437-H454 AromaticContact CD2-ND1 3.73Å; F440-H454 HydrophobicContact CD2-CB 4.48Å; F440-H454 AromaticContact CD2-CD2 3.59Å; F440-H454 HydrophobicContact CE2-CB 3.73Å; F440-H454 AromaticContact CE2-CD2 3.72Å; F440-H454 AromaticContact CE2-CG 3.75Å; F440-H454 HydrophobicContact CZ-CB 4.4Å; E450-H454 WeakPolarHBondContact O-CB 3.48Å; E450-H454 PolarHBondContact O-N 2.83Å; F451-H454 PolarHBondContact O-N 3.46Å; H454-N457 PolarHBondContact O-N 3.49Å; H454-L458 WeakPolarHBondContact O-CG 3.41Å; H454-L458 PolarHBondContact O-N 2.98Å
455	L	94.6	Very high	88.5	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-46.2	175.7	-178.1	69.9	0	0	0	112.1	V350 M351 I354 F383 M387 F429 F451 F452 L453 N457 L458 V459	V350-L455 HydrophobicContact CG1-CD2 4.27Å; M351-L455 HydrophobicContact CE-CD1 4.49Å; M351-L455 HydrophobicContact CE-CD2 4.06Å; M351-L455 HydrophobicContact SD-CD1 4.25Å; M351-L455 HydrophobicContact SD-CD2 3.5Å; M351-L455 VanDerWaalsContact SD-CD2 3.5Å; I354-L455 HydrophobicContact CG1-CD2 3.95Å; F383-L455 HydrophobicContact CE2-CD1 4.39Å; F383-L455 HydrophobicContact CZ-CD1 4.4Å; M387-L455 HydrophobicContact CE-CD1 4.43Å; M387-L455 HydrophobicContact SD-CD1 4.11Å; F429-L455 HydrophobicContact CZ-CD1 4.36Å; F451-L455 WeakPolarHBondContact O-CB 3.14Å; F451-L455 PolarHBondContact O-N 3.29Å; F452-L455 WeakPolarHBondContact O-CB 3.47Å; F452-L455 PolarHBondContact O-N 3.43Å; L453-L455 VanDerWaalsContact C-N 3.3Å; L453-L455 PolarHBondContact O-N 3.3Å; L455-N457 VanDerWaalsContact C-N 3.29Å; L455-N457 PolarHBondContact O-N 2.92Å; L455-L458 WeakPolarHBondContact O-CB 3.47Å; L455-L458 PolarHBondContact O-N 3.45Å; L455-L458 VanDerWaalsContact O-N 3.11Å; L455-V459 VanDerWaalsContact O-CG2 3.32Å; L455-V459 WeakPolarHBondContact O-CG2 3.48Å; L455-V459 PolarHBondContact O-N 3.26Å
456	V	93.3	Very high	88	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-43.9	177.4	168.2	0	0	0	0	110.7	F452 L453 V459 E460 F473 Y497	F452-V456 HydrophobicContact CD1-CG2 4.47Å; F452-V456 HydrophobicContact CD2-CG2 4.39Å; F452-V456 HydrophobicContact CE1-CG2 4.02Å; F452-V456 HydrophobicContact CE2-CG2 3.94Å; F452-V456 HydrophobicContact CZ-CG2 3.73Å; F452-V456 WeakPolarHBondContact O-CG2 3.44Å; F452-V456 PolarHBondContact O-N 3.42Å; L453-V456 PolarHBondContact O-N 3.1Å; V456-V459 PolarHBondContact O-N 3.39Å; V456-E460 PolarHBondContact O-N 3.14Å; V456-F473 HydrophobicContact CG2-CD2 4.38Å; V456-Y497 HydrophobicContact CG1-CD1 3.78Å; V456-Y497 HydrophobicContact CG1-CD2 4.19Å; V456-Y497 HydrophobicContact CG1-CE1 3.8Å; V456-Y497 HydrophobicContact CG1-CE2 4.21Å; V456-Y497 HydrophobicContact CG1-CG 3.98Å
457	N	90.3	Very high	87.2	Confident	74 Å²	74	44.6 Å²	44.6	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-38.6	175.4	-72.6	-33.4	0	0	0	112.6	L453 H454 L455 V459 E460 R461	L453-N457 PolarHBondContact O-N 3.36Å; L453-N457 PolarHBondContact O-ND2 3.4Å; H454-N457 PolarHBondContact O-N 3.49Å; L455-N457 VanDerWaalsContact C-N 3.29Å; L455-N457 PolarHBondContact O-N 2.92Å; N457-V459 VanDerWaalsContact C-N 3.34Å; N457-E460 WeakPolarHBondContact O-CB 3.24Å; N457-E460 PolarHBondContact O-N 3.07Å; N457-R461 WeakPolarHBondContact O-CB 3.49Å; N457-R461 VanDerWaalsContact O-CG 3.26Å; N457-R461 WeakPolarHBondContact O-CG 3.46Å; N457-R461 PolarHBondContact O-N 2.78Å
458	L	91.4	Very high	86.9	Confident	22 Å²	22	43.4 Å²	43.4	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-39.6	174.1	-74.4	176.4	0	0	0	112	F383 V433 H454 L455 R461 N462	F383-L458 HydrophobicContact CD2-CB 4.38Å; F383-L458 HydrophobicContact CE2-CB 3.72Å; F383-L458 HydrophobicContact CE2-CD1 4.2Å; F383-L458 HydrophobicContact CZ-CB 3.94Å; V433-L458 HydrophobicContact CB-CD1 3.99Å; V433-L458 HydrophobicContact CG1-CD1 4.11Å; H454-L458 WeakPolarHBondContact O-CG 3.41Å; H454-L458 PolarHBondContact O-N 2.98Å; L455-L458 WeakPolarHBondContact O-CB 3.47Å; L455-L458 PolarHBondContact O-N 3.45Å; L455-L458 VanDerWaalsContact O-N 3.11Å; L458-R461 PolarHBondContact O-N 2.82Å; L458-N462 WeakPolarHBondContact O-CB 3.26Å; L458-N462 PolarHBondContact O-N 2.84Å; L458-N462 VanDerWaalsContact O-N 3.11Å; L458-N462 PolarHBondContact O-ND2 2.88Å
459	V	91.8	Very high	86.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-42.5	174.4	174.8	0	0	0	0	110.6	F360 F383 L455 V456 N457 R461 N462 R463 N468 P469 S470	F360-V459 HydrophobicContact CE1-CG2 4.24Å; F383-V459 HydrophobicContact CE1-CG2 4.01Å; F383-V459 HydrophobicContact CZ-CG2 3.71Å; L455-V459 VanDerWaalsContact O-CG2 3.32Å; L455-V459 WeakPolarHBondContact O-CG2 3.48Å; L455-V459 PolarHBondContact O-N 3.26Å; V456-V459 PolarHBondContact O-N 3.39Å; N457-V459 VanDerWaalsContact C-N 3.34Å; V459-R461 VanDerWaalsContact C-N 3.26Å; V459-R461 PolarHBondContact O-N 3.09Å; V459-N462 CarbonylContact O-C 3.49Å; V459-N462 PolarHBondContact O-N 3.06Å; V459-N462 VanDerWaalsContact O-N 3.14Å; V459-R463 PolarHBondContact O-N 3.28Å; V459-N468 WeakPolarHBondContact CG1-OD1 3.1Å; V459-P469 HydrophobicContact CG1-CG 3.79Å; V459-S470 WeakPolarHBondContact CB-OG 3.38Å; V459-S470 WeakPolarHBondContact CG1-OG 3.32Å
460	E	87.2	Confident	86.6	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.065	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-37.4	176.4	-159.4	62.3	-135.8	0	0	112.4	V456 N457 R463 N468 R474 F765	V456-E460 PolarHBondContact O-N 3.14Å; N457-E460 WeakPolarHBondContact O-CB 3.24Å; N457-E460 PolarHBondContact O-N 3.07Å; E460-R463 VanDerWaalsContact O-CG 3.29Å; E460-R463 WeakPolarHBondContact O-CG 3.47Å; E460-R463 IonicContact OE1-CZ 2.84Å; E460-R463 IonicContact OE1-NE 2.73Å; E460-R463 PolarHBondContact OE1-NE 3.46Å; E460-R463 IonicContact OE1-NH2 3.89Å; E460-R463 PolarHBondContact OE1-NH2 3.35Å; E460-N468 PolarHBondContact OE1-ND2 3.21Å; E460-N468 PolarHBondContact OE2-ND2 3.29Å; E460-R474 IonicContact OE1-NH2 2.64Å; E460-R474 PolarHBondContact OE1-NH2 3.08Å; E460-R474 IonicContact OE2-NH2 2.68Å; E460-R474 PolarHBondContact OE2-NH2 3.28Å; E460-F765 HydrophobicContact CG-CD1 4.03Å; E460-F765 HydrophobicContact CG-CE1 4.07Å; E460-F765 WeakPolarHBondContact O-CE1 3.09Å
461	R	86.1	Confident	86.4	Confident	83 Å²	83	40 Å²	40	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-75.1	-22.8	177.5	-72.6	169.1	177.3	175.6	-0.7	114	N457 L458 V459 D762 F765	N457-R461 WeakPolarHBondContact O-CB 3.49Å; N457-R461 VanDerWaalsContact O-CG 3.26Å; N457-R461 WeakPolarHBondContact O-CG 3.46Å; N457-R461 PolarHBondContact O-N 2.78Å; L458-R461 PolarHBondContact O-N 2.82Å; V459-R461 VanDerWaalsContact C-N 3.26Å; V459-R461 PolarHBondContact O-N 3.09Å; R461-D762 IonicContact CZ-OD1 2.73Å; R461-D762 IonicContact NH2-OD1 3.84Å; R461-D762 PolarHBondContact NH2-OD1 3.3Å; R461-F765 HydrophobicContact CB-CE2 4.4Å; R461-F765 HydrophobicContact CB-CZ 4.22Å; R461-F765 HydrophobicContact CG-CD2 4.23Å; R461-F765 HydrophobicContact CG-CE2 3.55Å; R461-F765 HydrophobicContact CG-CZ 3.77Å
462	N	85.8	Confident	86.3	Confident	50 Å²	50	40 Å²	40	27%	0.267	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	50.2	-173.6	-65.5	-87.6	0	0	0	111.3	F383 N384 L458 V459 I464	F383-N462 HydrophobicContact CB-CB 4.17Å; F383-N462 HydrophobicContact CD1-CB 3.35Å; F383-N462 HydrophobicContact CE1-CB 4Å; F383-N462 HydrophobicContact CG-CB 4.03Å; N384-N462 PolarHBondContact OD1-O 3.23Å; L458-N462 WeakPolarHBondContact O-CB 3.26Å; L458-N462 PolarHBondContact O-N 2.84Å; L458-N462 VanDerWaalsContact O-N 3.11Å; L458-N462 PolarHBondContact O-ND2 2.88Å; V459-N462 CarbonylContact O-C 3.49Å; V459-N462 PolarHBondContact O-N 3.06Å; V459-N462 VanDerWaalsContact O-N 3.14Å; N462-I464 PolarHBondContact O-N 3.07Å
463	R	79.1	Confident	86.3	Confident	116 Å²	116	40 Å²	40	44%	0.438	22%	0.216	S	C	.	.			trans	-57.1	135	-176.9	-60	-176.5	179.7	169.4	0.5	111.5	V459 E460	V459-R463 PolarHBondContact O-N 3.28Å; E460-R463 VanDerWaalsContact O-CG 3.29Å; E460-R463 WeakPolarHBondContact O-CG 3.47Å; E460-R463 IonicContact OE1-CZ 2.84Å; E460-R463 IonicContact OE1-NE 2.73Å; E460-R463 PolarHBondContact OE1-NE 3.46Å; E460-R463 IonicContact OE1-NH2 3.89Å; E460-R463 PolarHBondContact OE1-NH2 3.35Å
464	I	67.8	Low	86.2	Confident	36 Å²	36	38.4 Å²	38.4	19%	0.185	21%	0.206	C	C	.	.			trans	-99.2	103.6	174.4	-61.2	170.6	0	0	0	108.5	Y364 I371 N384 N462	Y364-I464 HydrophobicContact CD1-CD1 3.47Å; Y364-I464 VanDerWaalsContact CD1-CD1 3.47Å; Y364-I464 HydrophobicContact CE1-CD1 3.25Å; Y364-I464 HydrophobicContact CE1-CG1 4.4Å; Y364-I464 HydrophobicContact CG-CD1 4.37Å; I371-I464 HydrophobicContact CD1-CD1 3.81Å; N384-I464 HydrophobicContact CB-CD1 4.18Å; N384-I464 HydrophobicContact CB-CG1 4.39Å; N384-I464 WeakPolarHBondContact OD1-CD1 3.41Å; N384-I464 VanDerWaalsContact OD1-CG1 3.28Å; N384-I464 WeakPolarHBondContact OD1-CG1 3.12Å; N462-I464 PolarHBondContact O-N 3.07Å
465	G	68.4	Low	86.3	Confident	66 Å²	66	37.3 Å²	37.3	68%	0.68	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	-148.6	-178.5	0	0	0	0	0	112.2
466	S	64.4	Low	86.3	Confident	99 Å²	99	38.2 Å²	38.2	69%	0.692	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-19.7	-173.3	56.5	0	0	0	0	114.9	R798	S466-R798 PolarHBondContact O-NH1 3.04Å
467	E	69.1	Low	86.4	Confident	163 Å²	163	38.6 Å²	38.6	76%	0.762	21%	0.208	S	C	*	.			trans	-106	128.5	-178.4	-68.9	-174	175.9	0	0	110.2
468	N	86.3	Confident	86.6	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.053	19%	0.193	C	C	.	.			trans	-101.9	122.7	-180	-178.8	-12.2	0	0	0	109.8	V459 E460 S470 D471	V459-N468 WeakPolarHBondContact CG1-OD1 3.1Å; E460-N468 PolarHBondContact OE1-ND2 3.21Å; E460-N468 PolarHBondContact OE2-ND2 3.29Å; N468-S470 PolarHBondContact O-N 3.47Å; N468-S470 VanDerWaalsContact OD1-CB 3.3Å; N468-S470 WeakPolarHBondContact OD1-CB 3.39Å; N468-S470 PolarHBondContact OD1-N 3.12Å; N468-D471 VanDerWaalsContact O-CB 3.24Å; N468-D471 WeakPolarHBondContact O-CB 3.39Å; N468-D471 PolarHBondContact O-N 3Å
469	P	91.6	Very high	86.7	Confident	8 Å²	8	36 Å²	36	5%	0.052	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21.9	179.6	25.3	-32.4	0	0	0	113	F360 A363 Y364 V459 D471 V472	F360-P469 HydrophobicContact CD1-CB 4.1Å; F360-P469 HydrophobicContact CD1-CG 4.33Å; F360-P469 HydrophobicContact CD2-CB 4.08Å; F360-P469 HydrophobicContact CE1-CB 4.08Å; F360-P469 HydrophobicContact CE1-CG 4.17Å; F360-P469 HydrophobicContact CE2-CB 4.04Å; F360-P469 WeakPolarHBondContact CE2-O 3.4Å; F360-P469 HydrophobicContact CG-CB 4.1Å; F360-P469 HydrophobicContact CZ-CB 4.03Å; F360-P469 HydrophobicContact CZ-CG 4.45Å; A363-P469 HydrophobicContact CB-CB 4.04Å; A363-P469 HydrophobicContact CB-CG 3.92Å; Y364-P469 HydrophobicContact CE2-CG 3.93Å; V459-P469 HydrophobicContact CG1-CG 3.79Å; P469-D471 PolarHBondContact O-N 3.32Å; P469-V472 WeakPolarHBondContact O-CG2 3.41Å; P469-V472 PolarHBondContact O-N 2.89Å
470	S	91.7	Very high	86.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66.1	-18.6	173.6	-65.5	0	0	0	0	113.7	V459 N468 V472 F473 R474	V459-S470 WeakPolarHBondContact CB-OG 3.38Å; V459-S470 WeakPolarHBondContact CG1-OG 3.32Å; N468-S470 PolarHBondContact O-N 3.47Å; N468-S470 VanDerWaalsContact OD1-CB 3.3Å; N468-S470 WeakPolarHBondContact OD1-CB 3.39Å; N468-S470 PolarHBondContact OD1-N 3.12Å; S470-V472 PolarHBondContact O-N 3.09Å; S470-V472 VanDerWaalsContact O-N 3.08Å; S470-F473 PolarHBondContact O-N 3.4Å; S470-R474 PolarHBondContact O-N 2.94Å
471	D	91.6	Very high	87	Confident	19 Å²	19	39.2 Å²	39.2	10%	0.102	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62	-18.8	179.2	-63	-18.3	0	0	0	112.4	N468 P469 F473 R474	N468-D471 VanDerWaalsContact O-CB 3.24Å; N468-D471 WeakPolarHBondContact O-CB 3.39Å; N468-D471 PolarHBondContact O-N 3Å; P469-D471 PolarHBondContact O-N 3.32Å; D471-F473 PolarHBondContact O-N 3.37Å; D471-R474 PolarHBondContact O-N 3.41Å; D471-R474 IonicContact OD1-CZ 3.79Å; D471-R474 IonicContact OD1-NH1 3.13Å; D471-R474 PolarHBondContact OD1-NH1 3.4Å; D471-R474 IonicContact OD1-NH2 2.71Å; D471-R474 PolarHBondContact OD1-NH2 3.45Å
472	V	94.8	Very high	87.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-65.9	-28.2	175.7	-58	0	0	0	0	113.3	I357 E359 F360 P469 S470 P578 E579 Y580	I357-V472 HydrophobicContact CG2-CG2 4.5Å; E359-V472 HydrophobicContact CB-CG1 3.62Å; E359-V472 HydrophobicContact CG-CG1 3.33Å; F360-V472 HydrophobicContact CE2-CG2 4.12Å; P469-V472 WeakPolarHBondContact O-CG2 3.41Å; P469-V472 PolarHBondContact O-N 2.89Å; S470-V472 PolarHBondContact O-N 3.09Å; S470-V472 VanDerWaalsContact O-N 3.08Å; V472-P578 WeakPolarHBondContact O-CB 3.32Å; V472-E579 HydrophobicContact CB-CB 4.36Å; V472-E579 PolarHBondContact O-N 2.89Å; V472-Y580 HydrophobicContact CB-CD2 4.2Å; V472-Y580 HydrophobicContact CG2-CD2 4.41Å; V472-Y580 PolarHBondContact O-N 2.9Å
473	F	96.2	Very high	87.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-20.2	-179.8	-54.7	-57.8	0	0	0	112.2	I354 I357 F360 F452 V456 S470 D471 F475 Y497 Y580 V582 F857	I354-F473 HydrophobicContact CD1-CE2 3.91Å; I354-F473 HydrophobicContact CD1-CZ 3.72Å; I357-F473 HydrophobicContact CD1-CE1 3.54Å; I357-F473 HydrophobicContact CD1-CZ 3.35Å; F360-F473 HydrophobicContact CE2-CD2 4.35Å; F360-F473 AromaticContact CE2-CE2 3.42Å; F360-F473 HydrophobicContact CE2-CE2 3.42Å; F360-F473 VanDerWaalsContact CE2-CE2 3.42Å; F360-F473 AromaticContact CE2-CZ 3.87Å; F360-F473 HydrophobicContact CE2-CZ 3.87Å; F360-F473 HydrophobicContact CZ-CD2 4.5Å; F360-F473 AromaticContact CZ-CE2 3.67Å; F360-F473 HydrophobicContact CZ-CE2 3.67Å; F360-F473 HydrophobicContact CZ-CZ 4.46Å; F452-F473 HydrophobicContact CE2-CD2 4.27Å; F452-F473 AromaticContact CE2-CE2 3.94Å; F452-F473 HydrophobicContact CE2-CE2 3.94Å; F452-F473 HydrophobicContact CE2-CZ 4.08Å; F452-F473 HydrophobicContact CZ-CD1 4.42Å; F452-F473 HydrophobicContact CZ-CD2 4.01Å; F452-F473 HydrophobicContact CZ-CE2 4.16Å; F452-F473 HydrophobicContact CZ-CG 4.14Å; F452-F473 HydrophobicContact CZ-CZ 4.44Å; V456-F473 HydrophobicContact CG2-CD2 4.38Å; S470-F473 PolarHBondContact O-N 3.4Å; D471-F473 PolarHBondContact O-N 3.37Å; F473-F475 WeakPolarHBondContact O-CD1 3.35Å; F473-F475 PolarHBondContact O-N 2.62Å; F473-Y497 HydrophobicContact CB-CD1 4.12Å; F473-Y580 HydrophobicContact CE1-CG 4.48Å; F473-V582 HydrophobicContact CD1-CG2 3.58Å; F473-V582 HydrophobicContact CE1-CG2 3.94Å; F473-V582 HydrophobicContact CG-CG2 4.33Å; F473-F857 HydrophobicContact CE1-CD1 4.33Å; F473-F857 HydrophobicContact CE1-CE1 4.42Å
474	R	95.1	Very high	88.2	Confident	16 Å²	16	32.4 Å²	32.4	6%	0.06	19%	0.188	C	C	.	.			trans	-70.5	129.1	-172.5	-165.6	-176.4	-71	138.9	2.2	110.9	E460 S470 D471 V495 Y497 R798 V799	E460-R474 IonicContact OE1-NH2 2.64Å; E460-R474 PolarHBondContact OE1-NH2 3.08Å; E460-R474 IonicContact OE2-NH2 2.68Å; E460-R474 PolarHBondContact OE2-NH2 3.28Å; S470-R474 PolarHBondContact O-N 2.94Å; D471-R474 PolarHBondContact O-N 3.41Å; D471-R474 IonicContact OD1-CZ 3.79Å; D471-R474 IonicContact OD1-NH1 3.13Å; D471-R474 PolarHBondContact OD1-NH1 3.4Å; D471-R474 IonicContact OD1-NH2 2.71Å; D471-R474 PolarHBondContact OD1-NH2 3.45Å; R474-V495 HydrophobicContact CG-CG1 3.43Å; R474-V495 VanDerWaalsContact CG-CG1 3.43Å; R474-Y497 HydrophobicContact CB-CD1 4.11Å; R474-Y497 HydrophobicContact CB-CE1 3.74Å; R474-Y497 HydrophobicContact CG-CD1 4.46Å; R474-Y497 HydrophobicContact CG-CE1 3.9Å; R474-Y497 PolarHBondContact NE-OH 3.47Å; R474-Y497 PolarHBondContact NH2-OH 3.41Å; R474-R798 PolarHBondContact NH1-O 3.06Å; R474-R798 VanDerWaalsContact NH1-O 3.15Å; R474-V799 HydrophobicContact CG-CG1 3.98Å
475	F	95.5	Very high	89.2	Confident	2 Å²	2	37 Å²	37	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	166.7	172.3	66	-87.5	0	0	0	112.1	F473 V477 D496 F574 S576 P578 L581	F473-F475 WeakPolarHBondContact O-CD1 3.35Å; F473-F475 PolarHBondContact O-N 2.62Å; F475-V477 HydrophobicContact CD2-CG2 3.98Å; F475-V477 HydrophobicContact CE2-CG2 3.46Å; F475-V477 VanDerWaalsContact CE2-CG2 3.46Å; F475-V477 HydrophobicContact CZ-CG2 4.46Å; F475-D496 WeakPolarHBondContact CD1-O 3.06Å; F475-D496 HydrophobicContact CE1-CB 4.22Å; F475-D496 HydrophobicContact CE2-CB 3.95Å; F475-D496 HydrophobicContact CZ-CB 3.76Å; F475-D496 PolarHBondContact N-O 2.74Å; F475-D496 PolarHBondContact O-N 3.34Å; F475-F574 AromaticContact CD2-CD1 3.58Å; F475-F574 HydrophobicContact CD2-CD1 3.58Å; F475-F574 AromaticContact CD2-CE1 3.67Å; F475-F574 HydrophobicContact CD2-CE1 3.67Å; F475-F574 AromaticContact CE2-CD1 3.67Å; F475-F574 HydrophobicContact CE2-CD1 3.67Å; F475-F574 AromaticContact CE2-CE1 3.32Å; F475-F574 HydrophobicContact CE2-CE1 3.32Å; F475-F574 HydrophobicContact CE2-CZ 4.34Å; F475-F574 HydrophobicContact CG-CD1 4.43Å; F475-F574 HydrophobicContact CG-CE1 4.45Å; F475-F574 AromaticContact CZ-CE1 3.87Å; F475-F574 HydrophobicContact CZ-CE1 3.87Å; F475-S576 WeakPolarHBondContact CA-OG 2.94Å; F475-P578 HydrophobicContact CB-CB 4.13Å; F475-P578 HydrophobicContact CB-CG 4.09Å; F475-P578 HydrophobicContact CD1-CB 4.29Å; F475-P578 HydrophobicContact CD1-CG 3.81Å; F475-P578 HydrophobicContact CG-CG 4.21Å; F475-L581 HydrophobicContact CE1-CD1 4.47Å
476	L	95.6	Very high	90.2	Very high	21 Å²	21	36 Å²	36	11%	0.11	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.8	177.8	-67.1	174.1	0	0	0	110.5	R494 V495 A575 S576 P797 V799	L476-R494 WeakPolarHBondContact CA-O 3.47Å; L476-V495 HydrophobicContact CD2-CG2 3.77Å; L476-A575 HydrophobicContact CB-CB 3.67Å; L476-A575 PolarHBondContact O-N 3.1Å; L476-S576 PolarHBondContact N-OG 2.94Å; L476-S576 PolarHBondContact O-N 2.84Å; L476-P797 HydrophobicContact CD2-CG 4.03Å; L476-V799 HydrophobicContact CD1-CG2 3.99Å; L476-V799 HydrophobicContact CG-CG1 4.09Å; L476-V799 HydrophobicContact CG-CG2 4.31Å
477	V	94.8	Very high	91.5	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.4	169.8	179.9	0	0	0	0	108	F475 E479 E493 R494 D496 R573	F475-V477 HydrophobicContact CD2-CG2 3.98Å; F475-V477 HydrophobicContact CE2-CG2 3.46Å; F475-V477 VanDerWaalsContact CE2-CG2 3.46Å; F475-V477 HydrophobicContact CZ-CG2 4.46Å; V477-E479 HydrophobicContact CG1-CG 4.13Å; V477-E493 CarbonylContact O-C 3.42Å; V477-E493 WeakPolarHBondContact O-CA 3.13Å; V477-R494 HydrophobicContact CB-CG 3.97Å; V477-R494 PolarHBondContact N-O 2.97Å; V477-R494 PolarHBondContact O-N 3.31Å; V477-D496 HydrophobicContact CG2-CB 4.09Å; V477-R573 CarbonylContact C-O 3.57Å; V477-R573 WeakPolarHBondContact CA-O 3.41Å
478	E	95.2	Very high	92.6	Very high	16 Å²	16	35 Å²	35	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120	168	-174.4	-175.4	97.6	0	0	108.2	Y491 S572 R573 A575 A616 G618	E478-Y491 VanDerWaalsContact CD-CD1 3.49Å; E478-Y491 HydrophobicContact CG-CD1 3.73Å; E478-Y491 HydrophobicContact CG-CE1 4.4Å; E478-Y491 WeakPolarHBondContact OE1-CD1 3.5Å; E478-Y491 VanDerWaalsContact OE1-CE1 3.25Å; E478-Y491 WeakPolarHBondContact OE1-CE1 3.47Å; E478-S572 WeakPolarHBondContact O-CA 3.3Å; E478-R573 PolarHBondContact N-O 3.43Å; E478-R573 PolarHBondContact O-N 3.45Å; E478-A575 HydrophobicContact CB-CB 4.16Å; E478-A616 HydrophobicContact CB-CB 3.6Å; E478-A616 VanDerWaalsContact CD-CB 3.44Å; E478-A616 HydrophobicContact CG-CB 4.15Å; E478-A616 WeakPolarHBondContact OE1-CB 3.41Å; E478-A616 WeakPolarHBondContact OE2-CB 3.44Å; E478-G618 WeakPolarHBondContact OE2-CA 3.45Å; E478-G618 PolarHBondContact OE2-N 2.99Å
479	E	93.3	Very high	92.9	Very high	27 Å²	27	34.6 Å²	34.6	13%	0.126	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.3	170.8	-59.4	-167.5	158.5	0	0	109.1	V477 Y491 T492 R494 K570	V477-E479 HydrophobicContact CG1-CG 4.13Å; E479-Y491 WeakPolarHBondContact O-CA 3.3Å; E479-T492 PolarHBondContact N-O 2.92Å; E479-T492 PolarHBondContact O-N 3.1Å; E479-T492 PolarHBondContact O-OG1 3.48Å; E479-R494 IonicContact OE1-CZ 3.15Å; E479-R494 IonicContact OE1-NE 2.75Å; E479-R494 PolarHBondContact OE1-NE 2.86Å; E479-R494 IonicContact OE1-NH2 3.72Å; E479-K570 IonicContact OE1-NZ 2.69Å; E479-K570 PolarHBondContact OE1-NZ 2.85Å; E479-K570 VanDerWaalsContact OE1-NZ 3.15Å; E479-K570 WeakPolarHBondContact OE2-CE 3.48Å; E479-K570 IonicContact OE2-NZ 3.38Å; E479-K570 PolarHBondContact OE2-NZ 3.39Å
480	R	93.7	Very high	92.9	Very high	45 Å²	45	37.2 Å²	37.2	17%	0.17	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.3	176	-179.4	-175	178.4	-82.8	4.7	109.2	Q482 V489 R490 Y491 K570 T571 E623	R480-Q482 VanDerWaalsContact CZ-OE1 3.31Å; R480-V489 VanDerWaalsContact NH2-CG1 3.29Å; R480-R490 WeakPolarHBondContact CA-O 3.42Å; R480-Y491 HydrophobicContact CB-CD1 4.03Å; R480-Y491 HydrophobicContact CB-CE1 3.78Å; R480-Y491 VanDerWaalsContact CD-OH 3.23Å; R480-Y491 WeakPolarHBondContact CD-OH 3.44Å; R480-Y491 HydrophobicContact CG-CD1 4.21Å; R480-Y491 HydrophobicContact CG-CE1 3.67Å; R480-Y491 HydrophobicContact CG-CE2 4.2Å; R480-Y491 PolarHBondContact NE-OH 2.95Å; R480-Y491 VanDerWaalsContact NE-OH 3.08Å; R480-K570 CarbonylContact O-C 3.55Å; R480-K570 WeakPolarHBondContact O-CA 3.22Å; R480-T571 PolarHBondContact N-O 2.62Å; R480-T571 PolarHBondContact O-N 2.94Å; R480-E623 IonicContact CZ-OE1 2.86Å; R480-E623 IonicContact NE-OE1 2.64Å; R480-E623 PolarHBondContact NE-OE1 2.78Å; R480-E623 IonicContact NH2-OE1 2.74Å; R480-E623 PolarHBondContact NH2-OE1 3.49Å
481	I	92.1	Very high	92.9	Very high	37 Å²	37	39.4 Å²	39.4	19%	0.19	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.3	173	-59.7	174	0	0	0	108.6	V489 R490 F557 V569 K570	I481-V489 CarbonylContact O-C 3.6Å; I481-V489 VanDerWaalsContact O-CA 3.23Å; I481-V489 WeakPolarHBondContact O-CA 3.49Å; I481-R490 PolarHBondContact N-O 3.23Å; I481-R490 PolarHBondContact O-N 3Å; I481-F557 HydrophobicContact CG2-CD2 4.25Å; I481-F557 HydrophobicContact CG2-CE1 4.33Å; I481-F557 HydrophobicContact CG2-CE2 3.71Å; I481-F557 HydrophobicContact CG2-CZ 3.75Å; I481-V569 CarbonylContact C-O 3.6Å; I481-V569 WeakPolarHBondContact CA-O 3.19Å; I481-K570 HydrophobicContact CG1-CG 4.28Å
482	Q	92.9	Very high	92.9	Very high	47 Å²	47	41.4 Å²	41.4	22%	0.22	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.4	177.1	-177.9	-176	-37.5	0	0	110.7	R480 K488 V489 G568 V569	R480-Q482 VanDerWaalsContact CZ-OE1 3.31Å; Q482-K488 WeakPolarHBondContact CA-O 3.2Å; Q482-V489 HydrophobicContact CB-CG1 4.03Å; Q482-V489 HydrophobicContact CG-CG1 3.93Å; Q482-G568 CarbonylContact O-C 3.43Å; Q482-G568 WeakPolarHBondContact O-CA 3.49Å; Q482-V569 PolarHBondContact N-O 3.33Å; Q482-V569 PolarHBondContact O-N 3.24Å
483	C	91.6	Very high	92.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.4	169.4	177.9	0	0	0	0	110.4	Q485 T486 R487 K488 F557 S559 L626	C483-Q485 VanDerWaalsContact C-N 3.29Å; C483-Q485 PolarHBondContact O-N 2.71Å; C483-T486 WeakPolarHBondContact CB-OG1 3.35Å; C483-T486 PolarHBondContact SG-OG1 2.98Å; C483-R487 VanDerWaalsContact O-CA 3.22Å; C483-R487 WeakPolarHBondContact O-CA 3.43Å; C483-R487 PolarHBondContact O-N 2.94Å; C483-K488 PolarHBondContact N-O 2.64Å; C483-F557 HydrophobicContact CB-CE1 4.26Å; C483-S559 PolarHBondContact SG-OG 2.97Å; C483-L626 HydrophobicContact CB-CD2 4.31Å
484	C	90.1	Very high	92.5	Very high	58 Å²	58	52.3 Å²	52.3	39%	0.392	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.6	-178.1	-72.5	0	0	0	0	113.6	A567	C484-A567 HydrophobicContact CB-CB 4.29Å; C484-A567 WeakPolarHBondContact CB-O 3.35Å; C484-A567 PolarHBondContact N-O 2.91Å; C484-A567 PolarHBondContact SG-O 3.41Å; C484-A567 VanDerWaalsContact SG-O 3.4Å
485	Q	88.6	Confident	92.3	Very high	132 Å²	132	54.2 Å²	54.2	62%	0.617	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-48.6	-175.3	-62.4	179.6	11.3	0	0	112.5	C483 L562 S566	C483-Q485 VanDerWaalsContact C-N 3.29Å; C483-Q485 PolarHBondContact O-N 2.71Å; Q485-L562 HydrophobicContact CB-CD1 4.01Å; Q485-L562 HydrophobicContact CG-CD1 4.35Å; Q485-S566 VanDerWaalsContact CD-OG 3.23Å; Q485-S566 WeakPolarHBondContact CG-OG 3.25Å; Q485-S566 PolarHBondContact NE2-OG 3.13Å; Q485-S566 VanDerWaalsContact NE2-OG 3.07Å
486	T	90.2	Very high	92.3	Very high	45 Å²	45	55.7 Å²	55.7	28%	0.276	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.4	-176.9	61.1	0	0	0	0	113.1	C483 K488 A561 L562	C483-T486 WeakPolarHBondContact CB-OG1 3.35Å; C483-T486 PolarHBondContact SG-OG1 2.98Å; T486-K488 PolarHBondContact O-N 3.45Å; T486-K488 VanDerWaalsContact O-N 3.08Å; T486-K488 PolarHBondContact OG1-N 3.24Å; T486-A561 HydrophobicContact CG2-CB 3.98Å; T486-L562 HydrophobicContact CG2-CD1 4.33Å; T486-L562 HydrophobicContact CG2-CD2 3.38Å; T486-L562 HydrophobicContact CG2-CG 3.58Å
487	R	91.9	Very high	92.3	Very high	190 Å²	190	56.2 Å²	56.2	72%	0.717	26%	0.261	S	S	*	.			trans	59.1	8.9	-171.6	-56.7	-175.3	175.9	-175.5	-1.4	114.9	C483	C483-R487 VanDerWaalsContact O-CA 3.22Å; C483-R487 WeakPolarHBondContact O-CA 3.43Å; C483-R487 PolarHBondContact O-N 2.94Å
488	K	91.8	Very high	92.3	Very high	53 Å²	53	56 Å²	56	23%	0.23	26%	0.259	C	S	.	.			trans	-72.2	149.1	174	-65.7	-172	173	-163.9	0	110.7	Q482 C483 T486 A561 E624 L626	Q482-K488 WeakPolarHBondContact CA-O 3.2Å; C483-K488 PolarHBondContact N-O 2.64Å; T486-K488 PolarHBondContact O-N 3.45Å; T486-K488 VanDerWaalsContact O-N 3.08Å; T486-K488 PolarHBondContact OG1-N 3.24Å; K488-A561 HydrophobicContact CD-CB 3.73Å; K488-E624 CarbonylContact C-O 3.48Å; K488-E624 WeakPolarHBondContact CA-O 3.34Å; K488-E624 WeakPolarHBondContact CB-O 3.34Å; K488-E624 HydrophobicContact CD-CB 4.5Å; K488-E624 WeakPolarHBondContact CE-OE2 3.31Å; K488-E624 HydrophobicContact CG-CB 4.02Å; K488-E624 IonicContact NZ-OE2 2.94Å; K488-L626 HydrophobicContact CB-CD2 3.64Å; K488-L626 HydrophobicContact CB-CG 3.82Å
489	V	93.4	Very high	92.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155.9	-170.1	-60.9	0	0	0	0	112.2	R480 I481 Q482 Y491 L619 E623 E624 E625 L626	R480-V489 VanDerWaalsContact NH2-CG1 3.29Å; I481-V489 CarbonylContact O-C 3.6Å; I481-V489 VanDerWaalsContact O-CA 3.23Å; I481-V489 WeakPolarHBondContact O-CA 3.49Å; Q482-V489 HydrophobicContact CB-CG1 4.03Å; Q482-V489 HydrophobicContact CG-CG1 3.93Å; V489-Y491 HydrophobicContact CB-CE2 4.09Å; V489-Y491 HydrophobicContact CG2-CD2 4.24Å; V489-Y491 HydrophobicContact CG2-CE2 3.64Å; V489-L619 HydrophobicContact CG2-CD1 3.69Å; V489-E623 HydrophobicContact CG2-CB 3.84Å; V489-E624 PolarHBondContact N-O 3.47Å; V489-E625 CarbonylContact O-C 3.56Å; V489-E625 VanDerWaalsContact O-CA 3.24Å; V489-E625 WeakPolarHBondContact O-CA 3.48Å; V489-L626 PolarHBondContact O-N 3.17Å
490	R	90.9	Very high	92.4	Very high	63 Å²	63	58.1 Å²	58.1	24%	0.238	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135	167.6	-178.9	176.8	-69.2	157.5	-1	108.4	R480 I481 T492 L626 P627	R480-R490 WeakPolarHBondContact CA-O 3.42Å; I481-R490 PolarHBondContact N-O 3.23Å; I481-R490 PolarHBondContact O-N 3Å; R490-T492 HydrophobicContact CG-CG2 4.4Å; R490-L626 HydrophobicContact CB-CB 4.45Å; R490-L626 HydrophobicContact CB-CD1 4.07Å; R490-P627 PolarHBondContact NH2-O 3.24Å
491	Y	91.9	Very high	92.5	Very high	47 Å²	47	56 Å²	56	18%	0.184	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.7	175.5	-70.5	-95.9	0	0	0	109	E478 E479 R480 V489 G618 L619 E623	E478-Y491 VanDerWaalsContact CD-CD1 3.49Å; E478-Y491 HydrophobicContact CG-CD1 3.73Å; E478-Y491 HydrophobicContact CG-CE1 4.4Å; E478-Y491 WeakPolarHBondContact OE1-CD1 3.5Å; E478-Y491 VanDerWaalsContact OE1-CE1 3.25Å; E478-Y491 WeakPolarHBondContact OE1-CE1 3.47Å; E479-Y491 WeakPolarHBondContact O-CA 3.3Å; R480-Y491 HydrophobicContact CB-CD1 4.03Å; R480-Y491 HydrophobicContact CB-CE1 3.78Å; R480-Y491 VanDerWaalsContact CD-OH 3.23Å; R480-Y491 WeakPolarHBondContact CD-OH 3.44Å; R480-Y491 HydrophobicContact CG-CD1 4.21Å; R480-Y491 HydrophobicContact CG-CE1 3.67Å; R480-Y491 HydrophobicContact CG-CE2 4.2Å; R480-Y491 PolarHBondContact NE-OH 2.95Å; R480-Y491 VanDerWaalsContact NE-OH 3.08Å; V489-Y491 HydrophobicContact CB-CE2 4.09Å; V489-Y491 HydrophobicContact CG2-CD2 4.24Å; V489-Y491 HydrophobicContact CG2-CE2 3.64Å; Y491-G618 PolarHBondContact OH-O 2.79Å; Y491-L619 HydrophobicContact CD2-CB 4.3Å; Y491-L619 HydrophobicContact CD2-CD1 4.17Å; Y491-L619 HydrophobicContact CE2-CB 4.13Å; Y491-L619 HydrophobicContact CE2-CD1 3.74Å; Y491-E623 PolarHBondContact OH-OE2 3.09Å
492	T	90.8	Very high	92.6	Very high	60 Å²	60	56 Å²	56	37%	0.368	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.7	173.8	50.3	0	0	0	0	108.8	E479 R490	E479-T492 PolarHBondContact N-O 2.92Å; E479-T492 PolarHBondContact O-N 3.1Å; E479-T492 PolarHBondContact O-OG1 3.48Å; R490-T492 HydrophobicContact CG-CG2 4.4Å
493	E	91.7	Very high	92.7	Very high	124 Å²	124	54.7 Å²	54.7	58%	0.579	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.3	175.8	-66.1	-176.9	-176.3	0	0	110	V477	V477-E493 CarbonylContact O-C 3.42Å; V477-E493 WeakPolarHBondContact O-CA 3.13Å
494	R	90.8	Very high	92.7	Very high	106 Å²	106	55.8 Å²	55.8	40%	0.4	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.2	172.1	67.5	-178.5	-176	82.6	4	111.3	L476 V477 E479 D496	L476-R494 WeakPolarHBondContact CA-O 3.47Å; V477-R494 HydrophobicContact CB-CG 3.97Å; V477-R494 PolarHBondContact N-O 2.97Å; V477-R494 PolarHBondContact O-N 3.31Å; E479-R494 IonicContact OE1-CZ 3.15Å; E479-R494 IonicContact OE1-NE 2.75Å; E479-R494 PolarHBondContact OE1-NE 2.86Å; E479-R494 IonicContact OE1-NH2 3.72Å; R494-D496 IonicContact CZ-OD2 3.79Å; R494-D496 IonicContact NH1-OD2 3.38Å; R494-D496 PolarHBondContact NH1-OD2 2.95Å; R494-D496 IonicContact NH2-OD2 2.64Å
495	V	92.3	Very high	92.7	Very high	57 Å²	57	56.1 Å²	56.1	35%	0.345	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.5	173.7	178.7	0	0	0	0	109.8	R474 L476 Y497 P797	R474-V495 HydrophobicContact CG-CG1 3.43Å; R474-V495 VanDerWaalsContact CG-CG1 3.43Å; L476-V495 HydrophobicContact CD2-CG2 3.77Å; V495-Y497 HydrophobicContact CG1-CE2 4.38Å; V495-P797 HydrophobicContact CG2-CB 3.98Å; V495-P797 HydrophobicContact CG2-CG 3.58Å
496	D	94.6	Very high	92.7	Very high	32 Å²	32	57.9 Å²	57.9	17%	0.171	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	162.7	172	-147.4	-37.1	0	0	0	110.6	F475 V477 R494 L498	F475-D496 WeakPolarHBondContact CD1-O 3.06Å; F475-D496 HydrophobicContact CE1-CB 4.22Å; F475-D496 HydrophobicContact CE2-CB 3.95Å; F475-D496 HydrophobicContact CZ-CB 3.76Å; F475-D496 PolarHBondContact N-O 2.74Å; F475-D496 PolarHBondContact O-N 3.34Å; V477-D496 HydrophobicContact CG2-CB 4.09Å; R494-D496 IonicContact CZ-OD2 3.79Å; R494-D496 IonicContact NH1-OD2 3.38Å; R494-D496 PolarHBondContact NH1-OD2 2.95Å; R494-D496 IonicContact NH2-OD2 2.64Å; D496-L498 PolarHBondContact OD1-N 3.36Å
497	Y	95.3	Very high	92.8	Very high	33 Å²	33	57.4 Å²	57.4	13%	0.129	27%	0.274	C	S	.	.	S	Bend	trans	-122.2	-13.7	179.6	-63.2	-82.6	0	0	0	112.6	V456 F473 R474 V495	V456-Y497 HydrophobicContact CG1-CD1 3.78Å; V456-Y497 HydrophobicContact CG1-CD2 4.19Å; V456-Y497 HydrophobicContact CG1-CE1 3.8Å; V456-Y497 HydrophobicContact CG1-CE2 4.21Å; V456-Y497 HydrophobicContact CG1-CG 3.98Å; F473-Y497 HydrophobicContact CB-CD1 4.12Å; R474-Y497 HydrophobicContact CB-CD1 4.11Å; R474-Y497 HydrophobicContact CB-CE1 3.74Å; R474-Y497 HydrophobicContact CG-CD1 4.46Å; R474-Y497 HydrophobicContact CG-CE1 3.9Å; R474-Y497 PolarHBondContact NE-OH 3.47Å; R474-Y497 PolarHBondContact NH2-OH 3.41Å; V495-Y497 HydrophobicContact CG1-CE2 4.38Å
498	L	95.9	Very high	92.9	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.245	C	C	.	.			trans	-145	139.8	178.2	67	100.7	0	0	0	112	Q449 F452 L453 D496 Q500 V582 Q584	Q449-L498 HydrophobicContact CG-CD2 3.88Å; Q449-L498 VanDerWaalsContact NE2-CD2 3.32Å; F452-L498 HydrophobicContact CD1-CD2 4.48Å; L453-L498 HydrophobicContact CD1-CD2 3.94Å; L453-L498 HydrophobicContact CD2-CD2 3.52Å; L453-L498 HydrophobicContact CG-CD2 3.7Å; D496-L498 PolarHBondContact OD1-N 3.36Å; L498-Q500 HydrophobicContact CD1-CG 3.44Å; L498-Q500 VanDerWaalsContact CD1-CG 3.44Å; L498-V582 CarbonylContact C-O 3.51Å; L498-V582 WeakPolarHBondContact CA-O 3.07Å; L498-V582 HydrophobicContact CB-CB 4.12Å; L498-V582 HydrophobicContact CB-CG1 4.16Å; L498-Q584 HydrophobicContact CD1-CB 3.97Å
499	M	95.6	Very high	92.9	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.6	171.4	179.6	-169.2	178	0	0	109.5	L501 L545 F548 F574 L581 V582 V583 Q584	M499-L501 HydrophobicContact CE-CD1 3.67Å; M499-L501 PolarHBondContact O-N 3.28Å; M499-L545 HydrophobicContact CE-CD1 3.88Å; M499-F548 HydrophobicContact CE-CB 4.2Å; M499-F548 HydrophobicContact CE-CD1 3.56Å; M499-F548 HydrophobicContact CE-CD2 3.72Å; M499-F548 HydrophobicContact CE-CE1 3.78Å; M499-F548 HydrophobicContact CE-CE2 3.91Å; M499-F548 HydrophobicContact CE-CG 3.53Å; M499-F548 HydrophobicContact CE-CZ 3.94Å; M499-F548 HydrophobicContact CG-CD2 4.46Å; M499-F548 HydrophobicContact CG-CE2 3.94Å; M499-F548 HydrophobicContact CG-CZ 4.11Å; M499-F574 HydrophobicContact CB-CZ 4.2Å; M499-F574 HydrophobicContact CE-CE2 4.49Å; M499-F574 HydrophobicContact CG-CZ 3.93Å; M499-F574 HydrophobicContact SD-CE2 4.28Å; M499-F574 HydrophobicContact SD-CZ 3.79Å; M499-L581 HydrophobicContact CB-CD1 4.19Å; M499-V582 PolarHBondContact N-O 3.46Å; M499-V583 HydrophobicContact CB-CG2 4.42Å; M499-V583 CarbonylContact O-C 3.45Å; M499-V583 WeakPolarHBondContact O-CA 3.08Å; M499-V583 HydrophobicContact SD-CG2 4.3Å; M499-Q584 PolarHBondContact O-N 3.3Å
500	Q	95.3	Very high	92.9	Very high	80 Å²	80	51.7 Å²	51.7	37%	0.374	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	104.1	173.1	-60.3	-168.6	-28.2	0	0	110.7	L498 P502 K586	L498-Q500 HydrophobicContact CD1-CG 3.44Å; L498-Q500 VanDerWaalsContact CD1-CG 3.44Å; Q500-P502 WeakPolarHBondContact O-CD 3.3Å; Q500-K586 HydrophobicContact CB-CD 3.87Å; Q500-K586 HydrophobicContact CB-CG 4Å
501	L	95.5	Very high	92.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.3	-178.7	-168.4	72.3	0	0	0	110.6	M499 F541 C544 L545 F548 V583 Q584 I585 K586	M499-L501 HydrophobicContact CE-CD1 3.67Å; M499-L501 PolarHBondContact O-N 3.28Å; L501-F541 HydrophobicContact CD2-CD2 3.99Å; L501-F541 HydrophobicContact CD2-CE2 3.81Å; L501-C544 HydrophobicContact CD1-CB 4.11Å; L501-C544 HydrophobicContact CD2-CB 3.78Å; L501-C544 HydrophobicContact CG-CB 3.83Å; L501-L545 HydrophobicContact CD1-CD1 4.45Å; L501-F548 HydrophobicContact CD1-CB 4.3Å; L501-V583 HydrophobicContact CB-CG1 3.78Å; L501-V583 HydrophobicContact CD2-CG1 4.3Å; L501-Q584 PolarHBondContact N-O 3.26Å; L501-I585 HydrophobicContact CB-CD1 4.23Å; L501-I585 HydrophobicContact CD2-CD1 3.71Å; L501-K586 PolarHBondContact O-N 3.39Å
502	P	94.4	Very high	92.9	Very high	37 Å²	37	57.7 Å²	57.7	24%	0.24	30%	0.301	C	S	.	.			trans	-70	151.6	177.7	30.1	-34	0	0	0	111.5	Q500 C544 A547 F548	Q500-P502 WeakPolarHBondContact O-CD 3.3Å; P502-C544 WeakPolarHBondContact O-CB 3.43Å; P502-C544 PolarHBondContact O-SG 3.3Å; P502-A547 HydrophobicContact CG-CB 3.92Å; P502-F548 HydrophobicContact CG-CB 4.17Å
503	V	93.6	Very high	92.9	Very high	20 Å²	20	60.2 Å²	60.2	12%	0.121	31%	0.308	C	S	.	.			trans	-103.6	104.1	177.6	179.8	0	0	0	0	109.1	M505 I539 I585 K586 K587 F599 V601 I603	V503-M505 HydrophobicContact CG1-CG 4.4Å; V503-M505 HydrophobicContact CG1-SD 3.95Å; V503-M505 PolarHBondContact O-N 2.75Å; V503-I539 HydrophobicContact CG1-CD1 3.36Å; V503-I585 HydrophobicContact CG2-CG2 3.49Å; V503-I585 VanDerWaalsContact CG2-CG2 3.49Å; V503-K586 WeakPolarHBondContact CG2-O 3.25Å; V503-K587 HydrophobicContact CG2-CB 4.39Å; V503-F599 HydrophobicContact CB-CD2 4.49Å; V503-V601 HydrophobicContact CG1-CG1 4.07Å; V503-V601 HydrophobicContact CG1-CG2 4.19Å; V503-I603 HydrophobicContact CG1-CD1 4.37Å; V503-I603 HydrophobicContact CG2-CD1 4.05Å
504	A	91.8	Very high	92.7	Very high	22 Å²	22	55.9 Å²	55.9	18%	0.182	29%	0.289	C	S	.	.			trans	-79.4	82.5	178.7	0	0	0	0	0	110.8	E506 A507 A547	A504-E506 PolarHBondContact O-N 3.02Å; A504-E506 VanDerWaalsContact O-N 3.16Å; A504-A507 HydrophobicContact CB-CB 4.07Å; A504-A507 WeakPolarHBondContact O-CB 3.22Å; A504-A507 PolarHBondContact O-N 2.95Å; A504-A547 HydrophobicContact CB-CB 4.37Å
505	M	89.5	Confident	92.6	Very high	65 Å²	65	55.7 Å²	55.7	32%	0.32	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-56.6	-31.4	-179.7	-70.1	-62	-62	0	0	112.9	V503 A507 A508 A537 I539 F599 V601	V503-M505 HydrophobicContact CG1-CG 4.4Å; V503-M505 HydrophobicContact CG1-SD 3.95Å; V503-M505 PolarHBondContact O-N 2.75Å; M505-A507 PolarHBondContact O-N 2.92Å; M505-A508 WeakPolarHBondContact O-CB 3.27Å; M505-A508 PolarHBondContact O-N 3.42Å; M505-A537 HydrophobicContact CE-CB 4.04Å; M505-I539 HydrophobicContact SD-CD1 3.68Å; M505-F599 HydrophobicContact CE-CD1 4.41Å; M505-F599 HydrophobicContact CG-CD1 4.36Å; M505-F599 HydrophobicContact CG-CE1 4.09Å; M505-F599 HydrophobicContact CG-CE2 4.3Å; M505-F599 HydrophobicContact CG-CZ 4.03Å; M505-F599 HydrophobicContact SD-CB 4.42Å; M505-F599 HydrophobicContact SD-CD1 4.03Å; M505-F599 HydrophobicContact SD-CD2 4.49Å; M505-F599 HydrophobicContact SD-CE1 4.34Å; M505-F599 HydrophobicContact SD-CG 4.11Å; M505-V601 HydrophobicContact CE-CG1 4.34Å; M505-V601 HydrophobicContact SD-CG1 3.59Å; M505-V601 VanDerWaalsContact SD-CG1 3.59Å
506	E	89.7	Confident	92.5	Very high	169 Å²	169	55.7 Å²	55.7	79%	0.79	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67.4	-18.4	176.5	-64.3	144.7	-153.6	0	0	113.1	A504 A508 K511	A504-E506 PolarHBondContact O-N 3.02Å; A504-E506 VanDerWaalsContact O-N 3.16Å; E506-A508 VanDerWaalsContact C-N 3.32Å; E506-K511 WeakPolarHBondContact O-CE 3.26Å; E506-K511 PolarHBondContact O-NZ 3.04Å
507	A	92.6	Very high	92.2	Very high	36 Å²	36	55.2 Å²	55.2	30%	0.298	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-90.2	6.6	177.2	0	0	0	0	0	113.1	A504 M505 T509 P540 A543	A504-A507 HydrophobicContact CB-CB 4.07Å; A504-A507 WeakPolarHBondContact O-CB 3.22Å; A504-A507 PolarHBondContact O-N 2.95Å; M505-A507 PolarHBondContact O-N 2.92Å; A507-T509 PolarHBondContact O-N 2.87Å; A507-P540 WeakPolarHBondContact O-CD 3.39Å; A507-A543 HydrophobicContact CB-CB 3.47Å; A507-A543 VanDerWaalsContact CB-CB 3.47Å
508	A	92.6	Very high	91.8	Very high	13 Å²	13	57 Å²	57	11%	0.107	31%	0.306	C	S	.	.			trans	-58.2	131.5	179.6	0	0	0	0	0	111.8	M505 E506 K511 A537 K538 I539	M505-A508 WeakPolarHBondContact O-CB 3.27Å; M505-A508 PolarHBondContact O-N 3.42Å; E506-A508 VanDerWaalsContact C-N 3.32Å; A508-K511 HydrophobicContact CB-CG 3.94Å; A508-K511 WeakPolarHBondContact O-CE 3.49Å; A508-K511 WeakPolarHBondContact O-CG 3.48Å; A508-A537 HydrophobicContact CB-CB 4.26Å; A508-K538 CarbonylContact C-O 3.54Å; A508-K538 VanDerWaalsContact CA-O 3.31Å; A508-K538 WeakPolarHBondContact CA-O 3.41Å; A508-I539 HydrophobicContact CB-CG1 4.28Å
509	T	93.4	Very high	91.4	Very high	100 Å²	100	60.9 Å²	60.9	61%	0.613	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.5	-176.4	61.6	0	0	0	0	113.2	A507 K538 P540	A507-T509 PolarHBondContact O-N 2.87Å; T509-K538 PolarHBondContact N-O 2.85Å; T509-K538 PolarHBondContact OG1-O 3.42Å; T509-P540 HydrophobicContact CG2-CG 3.72Å
510	N	93.7	Very high	91	Very high	10 Å²	10	63.5 Å²	63.5	5%	0.053	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	39.9	-174.2	68.4	-34.2	0	0	0	113	D512 E513 L514 R536 K538	N510-D512 VanDerWaalsContact C-N 3.34Å; N510-D512 PolarHBondContact O-N 3.07Å; N510-E513 HydrophobicContact CB-CB 4.29Å; N510-E513 HydrophobicContact CB-CG 4.41Å; N510-E513 WeakPolarHBondContact CB-OE2 3.25Å; N510-E513 PolarHBondContact O-N 3.42Å; N510-L514 PolarHBondContact O-N 2.81Å; N510-R536 PolarHBondContact ND2-O 2.91Å; N510-K538 PolarHBondContact OD1-N 3.41Å
511	K	90.1	Very high	90.4	Very high	99 Å²	99	63.9 Å²	63.9	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-55.4	-45.1	-177.5	-69.1	177.4	-175.5	179.2	0	113.3	E506 A508 E513 L514 I515	E506-K511 WeakPolarHBondContact O-CE 3.26Å; E506-K511 PolarHBondContact O-NZ 3.04Å; A508-K511 HydrophobicContact CB-CG 3.94Å; A508-K511 WeakPolarHBondContact O-CE 3.49Å; A508-K511 WeakPolarHBondContact O-CG 3.48Å; K511-E513 VanDerWaalsContact C-N 3.35Å; K511-E513 PolarHBondContact O-N 2.8Å; K511-L514 PolarHBondContact O-N 3.04Å; K511-I515 VanDerWaalsContact O-CG1 3.3Å; K511-I515 WeakPolarHBondContact O-CG1 3.43Å; K511-I515 PolarHBondContact O-N 3.07Å
512	D	91.1	Very high	89.9	Confident	137 Å²	137	70.2 Å²	70.2	73%	0.733	37%	0.365	S	S	*	.	H	α-helix	trans	-65.4	-39.7	-177.3	-61.3	-30.7	0	0	0	111.8	N510 L514 I515 A516	N510-D512 VanDerWaalsContact C-N 3.34Å; N510-D512 PolarHBondContact O-N 3.07Å; D512-L514 VanDerWaalsContact C-N 3.35Å; D512-I515 PolarHBondContact O-N 2.5Å; D512-A516 PolarHBondContact O-N 2.81Å; D512-A516 VanDerWaalsContact O-N 3.07Å
513	E	91.2	Very high	89.5	Confident	113 Å²	113	73.6 Å²	73.6	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-41.3	174.8	-62.5	176.8	-177.9	0	0	111.4	N510 K511 A516 Y517 V535	N510-E513 HydrophobicContact CB-CB 4.29Å; N510-E513 HydrophobicContact CB-CG 4.41Å; N510-E513 WeakPolarHBondContact CB-OE2 3.25Å; N510-E513 PolarHBondContact O-N 3.42Å; K511-E513 VanDerWaalsContact C-N 3.35Å; K511-E513 PolarHBondContact O-N 2.8Å; E513-A516 PolarHBondContact O-N 3.15Å; E513-Y517 WeakPolarHBondContact O-CB 3.49Å; E513-Y517 PolarHBondContact O-N 3.19Å; E513-V535 HydrophobicContact CB-CG1 4.38Å
514	L	88.2	Confident	89	Confident	33 Å²	33	73 Å²	73	17%	0.173	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-42.7	179.2	-168.6	119.2	0	0	0	111.8	N510 K511 D512 A516 Y517 E518 A537	N510-L514 PolarHBondContact O-N 2.81Å; K511-L514 PolarHBondContact O-N 3.04Å; D512-L514 VanDerWaalsContact C-N 3.35Å; L514-A516 VanDerWaalsContact C-N 3.34Å; L514-A516 PolarHBondContact O-N 3.31Å; L514-Y517 PolarHBondContact O-N 2.95Å; L514-E518 WeakPolarHBondContact CD2-OE1 3.15Å; L514-E518 WeakPolarHBondContact O-CG 3.35Å; L514-E518 PolarHBondContact O-N 3.15Å; L514-A537 HydrophobicContact CD1-CB 3.67Å; L514-A537 VanDerWaalsContact CD1-N 3.27Å
515	I	88.8	Confident	88.3	Confident	102 Å²	102	76.6 Å²	76.6	52%	0.523	39%	0.388	S	S	.	.	H	α-helix	trans	-62.2	-43.7	176.5	-67.2	164.8	0	0	0	110.4	K511 D512 E518 L519	K511-I515 VanDerWaalsContact O-CG1 3.3Å; K511-I515 WeakPolarHBondContact O-CG1 3.43Å; K511-I515 PolarHBondContact O-N 3.07Å; D512-I515 PolarHBondContact O-N 2.5Å; I515-E518 PolarHBondContact O-N 2.97Å; I515-L519 WeakPolarHBondContact O-CB 3.35Å; I515-L519 PolarHBondContact O-N 2.8Å
516	A	90.4	Very high	87.9	Confident	56 Å²	56	77.3 Å²	77.3	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176.2	0	0	0	0	0	112	D512 E513 L514 L519 T520	D512-A516 PolarHBondContact O-N 2.81Å; D512-A516 VanDerWaalsContact O-N 3.07Å; E513-A516 PolarHBondContact O-N 3.15Å; L514-A516 VanDerWaalsContact C-N 3.34Å; L514-A516 PolarHBondContact O-N 3.31Å; A516-L519 PolarHBondContact O-N 3.18Å; A516-T520 WeakPolarHBondContact O-CG2 3.14Å; A516-T520 PolarHBondContact O-N 3.01Å; A516-T520 PolarHBondContact O-OG1 3.49Å
517	Y	88.4	Confident	87.7	Confident	23 Å²	23	73.8 Å²	73.8	9%	0.09	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-48.1	174.3	168.1	-103.6	0	0	0	112	E513 L514 L519 T520 R521 P532 E533 L534 V535	E513-Y517 WeakPolarHBondContact O-CB 3.49Å; E513-Y517 PolarHBondContact O-N 3.19Å; L514-Y517 PolarHBondContact O-N 2.95Å; Y517-L519 VanDerWaalsContact C-N 3.3Å; Y517-L519 PolarHBondContact O-N 3.14Å; Y517-T520 WeakPolarHBondContact CA-OG1 3.49Å; Y517-T520 PolarHBondContact O-N 2.97Å; Y517-T520 PolarHBondContact O-OG1 3.46Å; Y517-R521 VanDerWaalsContact O-CB 3.25Å; Y517-R521 WeakPolarHBondContact O-CB 3.42Å; Y517-R521 PolarHBondContact O-N 3.29Å; Y517-R521 WeakPolarHBondContact OH-CD 3.44Å; Y517-P532 HydrophobicContact CD2-CB 4.33Å; Y517-P532 HydrophobicContact CD2-CG 4Å; Y517-P532 HydrophobicContact CE2-CB 4.22Å; Y517-P532 HydrophobicContact CE2-CG 3.73Å; Y517-E533 WeakPolarHBondContact CD2-O 3.41Å; Y517-E533 WeakPolarHBondContact CE2-O 3.39Å; Y517-L534 HydrophobicContact CE1-CD1 4.16Å; Y517-L534 VanDerWaalsContact OH-CD1 3.29Å; Y517-L534 WeakPolarHBondContact OH-CD1 3.33Å; Y517-V535 HydrophobicContact CD1-CB 4.12Å; Y517-V535 HydrophobicContact CD2-CB 4.1Å; Y517-V535 HydrophobicContact CD2-CG2 3.92Å; Y517-V535 HydrophobicContact CG-CB 3.7Å; Y517-V535 HydrophobicContact CG-CG2 3.95Å
518	E	85.8	Confident	86.8	Confident	70 Å²	70	80.2 Å²	80.2	33%	0.327	41%	0.407	S	S	.	.	H	α-helix	trans	-63.1	-37.6	179.9	-74.5	-174.3	-177.4	0	0	112.7	L514 I515 R521 R522	L514-E518 WeakPolarHBondContact CD2-OE1 3.15Å; L514-E518 WeakPolarHBondContact O-CG 3.35Å; L514-E518 PolarHBondContact O-N 3.15Å; I515-E518 PolarHBondContact O-N 2.97Å; E518-R521 PolarHBondContact O-N 3.49Å; E518-R522 WeakPolarHBondContact O-CG 3.3Å; E518-R522 PolarHBondContact O-N 2.81Å; E518-R522 IonicContact OE2-NH2 3.86Å; E518-R522 PolarHBondContact OE2-NH2 3.47Å
519	L	88.1	Confident	86.1	Confident	86 Å²	86	87.8 Å²	87.8	45%	0.45	43%	0.433	S	S	.	.	H	α-helix	trans	-66.5	-48.5	178	-166	147.3	0	0	0	110.7	I515 A516 Y517 R521 R522 E523	I515-L519 WeakPolarHBondContact O-CB 3.35Å; I515-L519 PolarHBondContact O-N 2.8Å; A516-L519 PolarHBondContact O-N 3.18Å; Y517-L519 VanDerWaalsContact C-N 3.3Å; Y517-L519 PolarHBondContact O-N 3.14Å; L519-R521 VanDerWaalsContact C-N 3.3Å; L519-R521 PolarHBondContact O-N 3.45Å; L519-R522 PolarHBondContact O-N 2.84Å; L519-E523 HydrophobicContact CD2-CG 4.35Å; L519-E523 VanDerWaalsContact CD2-OE1 3.28Å; L519-E523 WeakPolarHBondContact CD2-OE1 3.46Å; L519-E523 WeakPolarHBondContact O-CG 3.38Å; L519-E523 PolarHBondContact O-N 3.24Å
520	T	87.4	Confident	85.2	Confident	61 Å²	61	87.5 Å²	87.5	37%	0.374	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-34.6	175.6	53.7	0	0	0	0	112.5	A516 Y517 E523 A524	A516-T520 WeakPolarHBondContact O-CG2 3.14Å; A516-T520 PolarHBondContact O-N 3.01Å; A516-T520 PolarHBondContact O-OG1 3.49Å; Y517-T520 WeakPolarHBondContact CA-OG1 3.49Å; Y517-T520 PolarHBondContact O-N 2.97Å; Y517-T520 PolarHBondContact O-OG1 3.46Å; T520-E523 PolarHBondContact O-N 2.7Å; T520-A524 WeakPolarHBondContact O-CB 3.47Å; T520-A524 PolarHBondContact O-N 3Å
521	R	82.8	Confident	84.3	Confident	89 Å²	89	90.9 Å²	90.9	34%	0.336	45%	0.45	S	S	.	.	H	α-helix	trans	-64.6	-48.8	174.8	-162.1	-168.5	86.7	-161.7	-2.9	111.3	Y517 E518 L519 E523 A524 E525 L531 P532	Y517-R521 VanDerWaalsContact O-CB 3.25Å; Y517-R521 WeakPolarHBondContact O-CB 3.42Å; Y517-R521 PolarHBondContact O-N 3.29Å; Y517-R521 WeakPolarHBondContact OH-CD 3.44Å; E518-R521 PolarHBondContact O-N 3.49Å; L519-R521 VanDerWaalsContact C-N 3.3Å; L519-R521 PolarHBondContact O-N 3.45Å; R521-E523 VanDerWaalsContact C-N 3.32Å; R521-E523 PolarHBondContact O-N 2.84Å; R521-A524 PolarHBondContact O-N 3.29Å; R521-E525 IonicContact CZ-OE1 3.78Å; R521-E525 IonicContact NE-OE1 3.28Å; R521-E525 PolarHBondContact NE-OE1 2.82Å; R521-E525 IonicContact NH2-OE1 3.43Å; R521-E525 WeakPolarHBondContact O-CG 3.48Å; R521-E525 PolarHBondContact O-N 2.8Å; R521-L531 HydrophobicContact CG-CD2 3.66Å; R521-P532 HydrophobicContact CB-CG 4.01Å; R521-P532 HydrophobicContact CG-CG 4.38Å
522	R	83.8	Confident	83.9	Confident	134 Å²	134	88 Å²	88	51%	0.506	44%	0.442	S	S	.	.	H	α-helix	trans	-61.8	-39.9	176.7	-74.1	-175.8	-135.3	126.3	3.1	111.9	E518 L519 E525 A526	E518-R522 WeakPolarHBondContact O-CG 3.3Å; E518-R522 PolarHBondContact O-N 2.81Å; E518-R522 IonicContact OE2-NH2 3.86Å; E518-R522 PolarHBondContact OE2-NH2 3.47Å; L519-R522 PolarHBondContact O-N 2.84Å; R522-E525 PolarHBondContact O-N 3.11Å; R522-A526 VanDerWaalsContact O-CB 3.3Å; R522-A526 WeakPolarHBondContact O-CB 3.15Å; R522-A526 PolarHBondContact O-N 2.93Å
523	E	86.2	Confident	83.3	Confident	107 Å²	107	89.4 Å²	89.4	50%	0.5	44%	0.444	S	S	.	.	H	α-helix	trans	-64.3	-40.8	174.1	-74.7	-179.2	176.9	0	0	112.1	L519 T520 R521 N527	L519-E523 HydrophobicContact CD2-CG 4.35Å; L519-E523 VanDerWaalsContact CD2-OE1 3.28Å; L519-E523 WeakPolarHBondContact CD2-OE1 3.46Å; L519-E523 WeakPolarHBondContact O-CG 3.38Å; L519-E523 PolarHBondContact O-N 3.24Å; T520-E523 PolarHBondContact O-N 2.7Å; R521-E523 VanDerWaalsContact C-N 3.32Å; R521-E523 PolarHBondContact O-N 2.84Å; E523-N527 VanDerWaalsContact O-CB 3.24Å; E523-N527 WeakPolarHBondContact O-CB 3.07Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 2.64Å; E523-N527 PolarHBondContact O-ND2 3.4Å
524	A	83.8	Confident	82.8	Confident	9 Å²	9	87 Å²	87	7%	0.074	43%	0.434	C	S	.	.	H	α-helix	trans	-65.1	-44.5	176.2	0	0	0	0	0	111.5	T520 R521 N527 R528 R529	T520-A524 WeakPolarHBondContact O-CB 3.47Å; T520-A524 PolarHBondContact O-N 3Å; R521-A524 PolarHBondContact O-N 3.29Å; A524-N527 CarbonylContact O-C 3.58Å; A524-N527 PolarHBondContact O-N 3.5Å; A524-R528 PolarHBondContact O-N 2.86Å; A524-R529 HydrophobicContact CB-CB 4.23Å; A524-R529 PolarHBondContact O-N 2.84Å
525	E	77.3	Confident	82.7	Confident	96 Å²	96	87.6 Å²	87.6	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-59.5	-49.1	175.6	-73	168	-169.4	0	0	111.5	R521 R522 N527 R528 L531	R521-E525 IonicContact CZ-OE1 3.78Å; R521-E525 IonicContact NE-OE1 3.28Å; R521-E525 PolarHBondContact NE-OE1 2.82Å; R521-E525 IonicContact NH2-OE1 3.43Å; R521-E525 WeakPolarHBondContact O-CG 3.48Å; R521-E525 PolarHBondContact O-N 2.8Å; R522-E525 PolarHBondContact O-N 3.11Å; E525-N527 VanDerWaalsContact C-N 3.33Å; E525-N527 PolarHBondContact O-N 3.27Å; E525-R528 PolarHBondContact O-N 3.48Å; E525-L531 HydrophobicContact CG-CD2 3.67Å
526	A	81.4	Confident	82.6	Confident	80 Å²	80	84.6 Å²	84.6	66%	0.661	42%	0.422	S	S	*	.	H	α-helix	trans	-63.2	-38.9	179.2	0	0	0	0	0	112.4	R522 R528	R522-A526 VanDerWaalsContact O-CB 3.3Å; R522-A526 WeakPolarHBondContact O-CB 3.15Å; R522-A526 PolarHBondContact O-N 2.93Å; A526-R528 VanDerWaalsContact C-N 3.33Å
527	N	83.8	Confident	82.6	Confident	96 Å²	96	82.1 Å²	82.1	51%	0.513	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	7.5	-179.4	-66	-55	0	0	0	113.8	E523 A524 E525 R529	E523-N527 VanDerWaalsContact O-CB 3.24Å; E523-N527 WeakPolarHBondContact O-CB 3.07Å; E523-N527 VanDerWaalsContact O-CG 3.31Å; E523-N527 PolarHBondContact O-N 2.64Å; E523-N527 PolarHBondContact O-ND2 3.4Å; A524-N527 CarbonylContact O-C 3.58Å; A524-N527 PolarHBondContact O-N 3.5Å; E525-N527 VanDerWaalsContact C-N 3.33Å; E525-N527 PolarHBondContact O-N 3.27Å; N527-R529 HydrophobicContact CB-CG 4.1Å; N527-R529 PolarHBondContact O-N 2.81Å; N527-R529 VanDerWaalsContact O-N 3.15Å
528	R	73.8	Confident	82.9	Confident	171 Å²	171	86.2 Å²	86.2	65%	0.645	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	34.1	-175.9	-55.5	-179.1	-179.4	-170.2	-1.5	113.2	D199 A524 E525 A526	D199-R528 IonicContact OD1-NH1 3.72Å; D199-R528 IonicContact OD1-NH2 3.61Å; A524-R528 PolarHBondContact O-N 2.86Å; E525-R528 PolarHBondContact O-N 3.48Å; A526-R528 VanDerWaalsContact C-N 3.33Å
529	R	79.3	Confident	83.3	Confident	171 Å²	171	83.1 Å²	83.1	65%	0.645	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-91.1	156.3	175.5	-71.5	-177.4	-175.5	176.5	2.3	110	A524 N527 L531	A524-R529 HydrophobicContact CB-CB 4.23Å; A524-R529 PolarHBondContact O-N 2.84Å; N527-R529 HydrophobicContact CB-CG 4.1Å; N527-R529 PolarHBondContact O-N 2.81Å; N527-R529 VanDerWaalsContact O-N 3.15Å; R529-L531 PolarHBondContact O-N 2.99Å
530	P	73.3	Confident	83.7	Confident	94 Å²	94	81.2 Å²	81.2	61%	0.61	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-66.4	135	179.8	31.2	-38.5	0	0	0	110.2
531	L	75	Confident	84	Confident	81 Å²	81	79.7 Å²	79.7	42%	0.424	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-56.6	145.6	-172.6	-67.1	167.8	0	0	0	112.2	R313 R521 E525 R529	R313-L531 PolarHBondContact NH1-O 3.11Å; R313-L531 PolarHBondContact NH2-O 3.35Å; R313-L531 VanDerWaalsContact NH2-O 3.14Å; R521-L531 HydrophobicContact CG-CD2 3.66Å; E525-L531 HydrophobicContact CG-CD2 3.67Å; R529-L531 PolarHBondContact O-N 2.99Å
532	P	81.5	Confident	84.5	Confident	39 Å²	39	79.5 Å²	79.5	25%	0.253	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-66.7	163.9	173.9	26.8	-32.1	0	0	0	112.1	Y517 R521 L534	Y517-P532 HydrophobicContact CD2-CB 4.33Å; Y517-P532 HydrophobicContact CD2-CG 4Å; Y517-P532 HydrophobicContact CE2-CB 4.22Å; Y517-P532 HydrophobicContact CE2-CG 3.73Å; R521-P532 HydrophobicContact CB-CG 4.01Å; R521-P532 HydrophobicContact CG-CG 4.38Å; P532-L534 PolarHBondContact O-N 3.11Å
533	E	78.3	Confident	85.1	Confident	166 Å²	166	74 Å²	74	78%	0.776	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-58.4	134.4	175.2	-173	176	178.7	0	0	110.9	Y517 V535	Y517-E533 WeakPolarHBondContact CD2-O 3.41Å; Y517-E533 WeakPolarHBondContact CE2-O 3.39Å; E533-V535 PolarHBondContact O-N 3.35Å
534	L	80.6	Confident	85.5	Confident	63 Å²	63	68.9 Å²	68.9	33%	0.33	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67.2	123.1	-171.2	-179.1	64.4	0	0	0	111.7	Y517 P532 R536	Y517-L534 HydrophobicContact CE1-CD1 4.16Å; Y517-L534 VanDerWaalsContact OH-CD1 3.29Å; Y517-L534 WeakPolarHBondContact OH-CD1 3.33Å; P532-L534 PolarHBondContact O-N 3.11Å; L534-R536 VanDerWaalsContact CD2-NH2 3.26Å; L534-R536 HydrophobicContact CG-CG 4.47Å
535	V	86.1	Confident	86	Confident	46 Å²	46	69.2 Å²	69.2	28%	0.279	36%	0.358	S	S	.	.			trans	-111.2	123	172.2	-178	0	0	0	0	109.2	E513 Y517 E533	E513-V535 HydrophobicContact CB-CG1 4.38Å; Y517-V535 HydrophobicContact CD1-CB 4.12Å; Y517-V535 HydrophobicContact CD2-CB 4.1Å; Y517-V535 HydrophobicContact CD2-CG2 3.92Å; Y517-V535 HydrophobicContact CG-CB 3.7Å; Y517-V535 HydrophobicContact CG-CG2 3.95Å; E533-V535 PolarHBondContact O-N 3.35Å
536	R	87.9	Confident	86.7	Confident	39 Å²	39	71 Å²	71	15%	0.147	37%	0.366	C	S	.	.			trans	-97.9	153.5	177.7	-65	-174.3	-179.9	90.2	1.4	111.7	N510 L534 K538 D600	N510-R536 PolarHBondContact ND2-O 2.91Å; L534-R536 VanDerWaalsContact CD2-NH2 3.26Å; L534-R536 HydrophobicContact CG-CG 4.47Å; R536-K538 PolarHBondContact O-N 3.14Å; R536-D600 VanDerWaalsContact CD-OD1 3.32Å; R536-D600 WeakPolarHBondContact CD-OD1 3.26Å; R536-D600 IonicContact CZ-OD1 2.83Å; R536-D600 IonicContact NE-OD1 3.74Å; R536-D600 PolarHBondContact NE-OD1 2.9Å; R536-D600 IonicContact NE-OD2 3.73Å
537	A	90.9	Very high	87.2	Confident	3 Å²	3	68.7 Å²	68.7	3%	0.025	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120	169.1	0	0	0	0	0	108.9	M505 A508 L514 I539 V601 S602	M505-A537 HydrophobicContact CE-CB 4.04Å; A508-A537 HydrophobicContact CB-CB 4.26Å; L514-A537 HydrophobicContact CD1-CB 3.67Å; L514-A537 VanDerWaalsContact CD1-N 3.27Å; A537-I539 HydrophobicContact CB-CG1 4.5Å; A537-V601 HydrophobicContact CB-CG1 4.21Å; A537-V601 WeakPolarHBondContact O-CA 3.31Å; A537-S602 PolarHBondContact O-N 3.24Å
538	K	93.8	Very high	87.6	Confident	109 Å²	109	66.2 Å²	66.2	47%	0.474	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.2	176.8	-67.4	177	-178.9	171.6	0	108.6	A508 T509 N510 R536 S602	A508-K538 CarbonylContact C-O 3.54Å; A508-K538 VanDerWaalsContact CA-O 3.31Å; A508-K538 WeakPolarHBondContact CA-O 3.41Å; T509-K538 PolarHBondContact N-O 2.85Å; T509-K538 PolarHBondContact OG1-O 3.42Å; N510-K538 PolarHBondContact OD1-N 3.41Å; R536-K538 PolarHBondContact O-N 3.14Å; K538-S602 WeakPolarHBondContact CA-O 3.36Å
539	I	94.6	Very high	88.4	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.309	C	S	.	.			trans	-114.7	123.3	-175.4	-61.3	171.6	0	0	0	108.4	V503 M505 A508 A537 F541 V601 S602 I603	V503-I539 HydrophobicContact CG1-CD1 3.36Å; M505-I539 HydrophobicContact SD-CD1 3.68Å; A508-I539 HydrophobicContact CB-CG1 4.28Å; A537-I539 HydrophobicContact CB-CG1 4.5Å; I539-F541 PolarHBondContact O-N 3.21Å; I539-V601 HydrophobicContact CD1-CB 4.09Å; I539-V601 HydrophobicContact CD1-CG1 3.68Å; I539-S602 PolarHBondContact N-O 3.02Å; I539-I603 HydrophobicContact CB-CG1 3.95Å; I539-I603 HydrophobicContact CG2-CG1 4.43Å
540	P	95.3	Very high	88.9	Confident	46 Å²	46	57 Å²	57	30%	0.299	31%	0.306	S	S	.	.			trans	-64.9	132.2	176.6	-20.5	33.1	0	0	0	111.3	A507 T509 S542 A543 C544	A507-P540 WeakPolarHBondContact O-CD 3.39Å; T509-P540 HydrophobicContact CG2-CG 3.72Å; P540-S542 PolarHBondContact O-N 3.48Å; P540-A543 HydrophobicContact CB-CB 4.44Å; P540-A543 WeakPolarHBondContact O-CB 3.4Å; P540-A543 PolarHBondContact O-N 3.45Å; P540-C544 PolarHBondContact O-N 2.94Å
541	F	94.8	Very high	89.8	Confident	30 Å²	30	56.1 Å²	56.1	13%	0.132	30%	0.3	C	S	.	.	H	α-helix	trans	-54.3	-37.2	175.2	167.7	-102.5	0	0	0	112.8	L501 I539 A543 C544 L545 I603 D604 M605 P606 L609	L501-F541 HydrophobicContact CD2-CD2 3.99Å; L501-F541 HydrophobicContact CD2-CE2 3.81Å; I539-F541 PolarHBondContact O-N 3.21Å; F541-A543 VanDerWaalsContact C-N 3.27Å; F541-A543 PolarHBondContact O-N 3.13Å; F541-C544 WeakPolarHBondContact O-CB 3.43Å; F541-C544 PolarHBondContact O-N 3.25Å; F541-C544 VanDerWaalsContact O-N 3.14Å; F541-L545 HydrophobicContact CE1-CB 4.48Å; F541-L545 HydrophobicContact CE1-CD2 4.13Å; F541-L545 HydrophobicContact CZ-CB 4.37Å; F541-L545 HydrophobicContact CZ-CD1 4.32Å; F541-L545 HydrophobicContact CZ-CD2 4.26Å; F541-L545 PolarHBondContact O-N 3.3Å; F541-I603 HydrophobicContact CB-CG2 4.15Å; F541-D604 WeakPolarHBondContact CB-O 3.01Å; F541-M605 HydrophobicContact CD2-CE 4.1Å; F541-M605 HydrophobicContact CD2-SD 3.59Å; F541-M605 VanDerWaalsContact CD2-SD 3.59Å; F541-M605 HydrophobicContact CE2-CE 3.97Å; F541-M605 HydrophobicContact CE2-SD 4.09Å; F541-P606 HydrophobicContact CD1-CG 3.85Å; F541-P606 HydrophobicContact CE1-CG 3.82Å; F541-P606 HydrophobicContact CG-CG 4.4Å; F541-P606 HydrophobicContact CZ-CG 4.34Å; F541-L609 HydrophobicContact CE1-CD1 3.6Å; F541-L609 HydrophobicContact CZ-CD1 3.44Å; F541-L609 VanDerWaalsContact CZ-CD1 3.44Å
542	S	94.2	Very high	90.6	Very high	84 Å²	84	58.3 Å²	58.3	59%	0.587	31%	0.308	S	S	*	.	H	α-helix	trans	-59.5	-35.7	177.2	44.4	0	0	0	0	113.1	P540 L545 Q546	P540-S542 PolarHBondContact O-N 3.48Å; S542-L545 PolarHBondContact O-N 3.37Å; S542-Q546 WeakPolarHBondContact O-CB 3.48Å; S542-Q546 PolarHBondContact O-N 3.34Å
543	A	94.8	Very high	91.1	Very high	18 Å²	18	62 Å²	62	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-69.7	-39.8	175.7	0	0	0	0	0	111.8	A507 P540 F541 Q546 A547	A507-A543 HydrophobicContact CB-CB 3.47Å; A507-A543 VanDerWaalsContact CB-CB 3.47Å; P540-A543 HydrophobicContact CB-CB 4.44Å; P540-A543 WeakPolarHBondContact O-CB 3.4Å; P540-A543 PolarHBondContact O-N 3.45Å; F541-A543 VanDerWaalsContact C-N 3.27Å; F541-A543 PolarHBondContact O-N 3.13Å; A543-Q546 PolarHBondContact O-N 2.92Å; A543-A547 WeakPolarHBondContact O-CB 3.26Å; A543-A547 PolarHBondContact O-N 2.81Å
544	C	94.8	Very high	91.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-42.2	173	-71.2	0	0	0	0	112.1	L501 P502 P540 F541 A547 F548	L501-C544 HydrophobicContact CD1-CB 4.11Å; L501-C544 HydrophobicContact CD2-CB 3.78Å; L501-C544 HydrophobicContact CG-CB 3.83Å; P502-C544 WeakPolarHBondContact O-CB 3.43Å; P502-C544 PolarHBondContact O-SG 3.3Å; P540-C544 PolarHBondContact O-N 2.94Å; F541-C544 WeakPolarHBondContact O-CB 3.43Å; F541-C544 PolarHBondContact O-N 3.25Å; F541-C544 VanDerWaalsContact O-N 3.14Å; C544-A547 PolarHBondContact O-N 3.18Å; C544-F548 PolarHBondContact O-N 2.91Å
545	L	93.8	Very high	91.9	Very high	17 Å²	17	59.6 Å²	59.6	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-68.2	-38.6	177.9	-166.7	65.3	0	0	0	112	M499 L501 F541 S542 F548 S549 I611 L614	M499-L545 HydrophobicContact CE-CD1 3.88Å; L501-L545 HydrophobicContact CD1-CD1 4.45Å; F541-L545 HydrophobicContact CE1-CB 4.48Å; F541-L545 HydrophobicContact CE1-CD2 4.13Å; F541-L545 HydrophobicContact CZ-CB 4.37Å; F541-L545 HydrophobicContact CZ-CD1 4.32Å; F541-L545 HydrophobicContact CZ-CD2 4.26Å; F541-L545 PolarHBondContact O-N 3.3Å; S542-L545 PolarHBondContact O-N 3.37Å; L545-F548 WeakPolarHBondContact O-CB 3.41Å; L545-F548 PolarHBondContact O-N 2.87Å; L545-S549 PolarHBondContact O-N 3.46Å; L545-I611 HydrophobicContact CD1-CG2 4.3Å; L545-I611 HydrophobicContact CD2-CG2 4.31Å; L545-L614 HydrophobicContact CD1-CD1 3.62Å; L545-L614 HydrophobicContact CG-CD1 4.13Å
546	Q	92.6	Very high	91.8	Very high	132 Å²	132	63.5 Å²	63.5	62%	0.617	34%	0.34	S	S	*	.	H	α-helix	trans	-61.5	-48.8	173.6	-178.2	177.6	-12.3	0	0	110.9	S542 A543 F548 S549 E550	S542-Q546 WeakPolarHBondContact O-CB 3.48Å; S542-Q546 PolarHBondContact O-N 3.34Å; A543-Q546 PolarHBondContact O-N 2.92Å; Q546-F548 VanDerWaalsContact C-N 3.26Å; Q546-F548 PolarHBondContact O-N 3.48Å; Q546-S549 CarbonylContact O-C 3.48Å; Q546-S549 PolarHBondContact O-N 2.98Å; Q546-S549 PolarHBondContact O-OG 3.24Å; Q546-E550 PolarHBondContact O-N 3.4Å
547	A	92.6	Very high	91.7	Very high	33 Å²	33	63 Å²	63	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-34	177.8	0	0	0	0	0	112.6	P502 A504 A543 C544 S549	P502-A547 HydrophobicContact CG-CB 3.92Å; A504-A547 HydrophobicContact CB-CB 4.37Å; A543-A547 WeakPolarHBondContact O-CB 3.26Å; A543-A547 PolarHBondContact O-N 2.81Å; C544-A547 PolarHBondContact O-N 3.18Å; A547-S549 VanDerWaalsContact C-N 3.3Å; A547-S549 PolarHBondContact O-N 3.46Å
548	F	91.7	Very high	91.3	Very high	44 Å²	44	64.8 Å²	64.8	19%	0.193	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-34.9	172.3	177.7	-93.8	0	0	0	112.9	M499 L501 P502 C544 L545 Q546 F574 L614	M499-F548 HydrophobicContact CE-CB 4.2Å; M499-F548 HydrophobicContact CE-CD1 3.56Å; M499-F548 HydrophobicContact CE-CD2 3.72Å; M499-F548 HydrophobicContact CE-CE1 3.78Å; M499-F548 HydrophobicContact CE-CE2 3.91Å; M499-F548 HydrophobicContact CE-CG 3.53Å; M499-F548 HydrophobicContact CE-CZ 3.94Å; M499-F548 HydrophobicContact CG-CD2 4.46Å; M499-F548 HydrophobicContact CG-CE2 3.94Å; M499-F548 HydrophobicContact CG-CZ 4.11Å; L501-F548 HydrophobicContact CD1-CB 4.3Å; P502-F548 HydrophobicContact CG-CB 4.17Å; C544-F548 PolarHBondContact O-N 2.91Å; L545-F548 WeakPolarHBondContact O-CB 3.41Å; L545-F548 PolarHBondContact O-N 2.87Å; Q546-F548 VanDerWaalsContact C-N 3.26Å; Q546-F548 PolarHBondContact O-N 3.48Å; F548-F574 HydrophobicContact CE1-CD2 4.46Å; F548-F574 AromaticContact CE1-CE2 3.71Å; F548-F574 HydrophobicContact CE1-CE2 3.71Å; F548-F574 HydrophobicContact CE1-CZ 4.4Å; F548-F574 HydrophobicContact CZ-CE2 4.03Å; F548-F574 HydrophobicContact CZ-CZ 4.3Å; F548-L614 HydrophobicContact CD1-CD1 4.35Å
549	S	90	Very high	90.9	Very high	23 Å²	23	59.6 Å²	59.6	16%	0.161	32%	0.322	C	S	.	.	H	α-helix	trans	-93.1	-5.2	-174.8	76.7	0	0	0	0	114.4	L545 Q546 A547 R573	L545-S549 PolarHBondContact O-N 3.46Å; Q546-S549 CarbonylContact O-C 3.48Å; Q546-S549 PolarHBondContact O-N 2.98Å; Q546-S549 PolarHBondContact O-OG 3.24Å; A547-S549 VanDerWaalsContact C-N 3.3Å; A547-S549 PolarHBondContact O-N 3.46Å; S549-R573 PolarHBondContact O-NH2 3Å; S549-R573 VanDerWaalsContact O-NH2 3.1Å
550	E	91.4	Very high	90.3	Very high	125 Å²	125	60.1 Å²	60.1	58%	0.584	33%	0.326	S	S	*	.	S	Bend	trans	-70.7	137.6	-175.6	-170.4	165.6	-161.8	0	0	110.5	Q546 E552	Q546-E550 PolarHBondContact O-N 3.4Å; E550-E552 PolarHBondContact O-N 2.87Å
551	P	91.9	Very high	89.7	Confident	75 Å²	75	59.5 Å²	59.5	49%	0.487	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65	126	175.5	-18.2	31.1	0	0	0	111.2	V569 K570	P551-V569 HydrophobicContact CB-CG1 3.45Å; P551-V569 VanDerWaalsContact CB-CG1 3.45Å; P551-K570 CarbonylContact C-O 3.53Å; P551-K570 WeakPolarHBondContact CA-O 3.43Å
552	E	91.4	Very high	89.1	Confident	127 Å²	127	60.8 Å²	60.8	59%	0.593	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.4	177.7	-175.1	179.4	-176.9	0	0	109.6	E550 V569 K570	E550-E552 PolarHBondContact O-N 2.87Å; E552-V569 WeakPolarHBondContact O-CA 3.43Å; E552-K570 PolarHBondContact N-O 2.89Å; E552-K570 PolarHBondContact O-N 2.86Å
553	N	92.4	Very high	88.5	Confident	116 Å²	116	60.8 Å²	60.8	62%	0.62	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.5	173.3	-65	-47	0	0	0	109.4
554	V	89.3	Confident	87.8	Confident	48 Å²	48	61.3 Å²	61.3	29%	0.291	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	104.2	174.9	-175.8	0	0	0	0	107.6	F557 G568 K570	V554-F557 HydrophobicContact CG1-CB 4.3Å; V554-G568 PolarHBondContact N-O 2.67Å; V554-G568 PolarHBondContact O-N 3.1Å; V554-K570 HydrophobicContact CG2-CB 3.84Å
555	D	85.4	Confident	87.2	Confident	132 Å²	132	67 Å²	67	71%	0.706	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	153.7	172.4	-62.9	-32.8	0	0	0	110.2	F557	D555-F557 PolarHBondContact O-N 2.8Å
556	D	85	Confident	86.9	Confident	128 Å²	128	66.7 Å²	66.7	68%	0.684	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.8	30.2	-179.8	-71	-18.4	0	0	0	115.7	W558	D556-W558 PolarHBondContact O-N 3.36Å
557	F	84.6	Confident	86.8	Confident	29 Å²	29	62.4 Å²	62.4	13%	0.127	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.4	174.7	171.6	-108.3	0	0	0	112.1	I481 C483 V554 D555 S559 K565 S566 L626	I481-F557 HydrophobicContact CG2-CD2 4.25Å; I481-F557 HydrophobicContact CG2-CE1 4.33Å; I481-F557 HydrophobicContact CG2-CE2 3.71Å; I481-F557 HydrophobicContact CG2-CZ 3.75Å; C483-F557 HydrophobicContact CB-CE1 4.26Å; V554-F557 HydrophobicContact CG1-CB 4.3Å; D555-F557 PolarHBondContact O-N 2.8Å; F557-S559 PolarHBondContact O-N 3.28Å; F557-K565 CarbonylContact O-C 3.51Å; F557-S566 WeakPolarHBondContact CA-O 3.48Å; F557-S566 WeakPolarHBondContact CB-O 3.26Å; F557-S566 PolarHBondContact N-O 2.88Å; F557-S566 PolarHBondContact O-N 3.35Å; F557-S566 VanDerWaalsContact O-O 3.11Å; F557-L626 HydrophobicContact CE1-CD1 4.28Å; F557-L626 HydrophobicContact CZ-CD1 3.95Å
558	W	83.1	Confident	86.7	Confident	39 Å²	39	60.8 Å²	60.8	15%	0.148	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	116.2	172.1	-177	-100.1	0	0	0	111.5	D556 Q563 K565 E695 E696	D556-W558 PolarHBondContact O-N 3.36Å; W558-Q563 WeakPolarHBondContact CH2-O 3.49Å; W558-Q563 HydrophobicContact CZ2-CB 4.29Å; W558-K565 HydrophobicContact CE3-CG 3.94Å; W558-K565 HydrophobicContact CZ3-CG 4.39Å; W558-E695 WeakPolarHBondContact CZ3-O 3.48Å; W558-E696 HydrophobicContact CH2-CB 4.2Å; W558-E696 HydrophobicContact CH2-CG 3.29Å; W558-E696 HydrophobicContact CZ2-CB 4.35Å; W558-E696 HydrophobicContact CZ2-CG 3.21Å; W558-E696 HydrophobicContact CZ3-CG 4.19Å
559	S	84.3	Confident	86.9	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111.4	178	179.9	0	0	0	0	110.6	C483 F557 A561 L562 Q563 A564	C483-S559 PolarHBondContact SG-OG 2.97Å; F557-S559 PolarHBondContact O-N 3.28Å; S559-A561 PolarHBondContact O-N 3.03Å; S559-L562 PolarHBondContact O-N 3.46Å; S559-Q563 WeakPolarHBondContact O-CA 3.39Å; S559-Q563 PolarHBondContact O-N 3.05Å; S559-A564 PolarHBondContact N-O 3.46Å
560	S	83	Confident	87	Confident	16 Å²	16	61.3 Å²	61.3	11%	0.112	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26	176.5	54.4	0	0	0	0	113.4	P627	S560-P627 VanDerWaalsContact CB-O 3.22Å; S560-P627 WeakPolarHBondContact CB-O 3.25Å; S560-P627 PolarHBondContact OG-O 3.37Å
561	A	83.1	Confident	87.1	Confident	33 Å²	33	56.4 Å²	56.4	27%	0.273	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-27.1	175.4	0	0	0	0	0	113.7	T486 K488 S559 L626 P627	T486-A561 HydrophobicContact CG2-CB 3.98Å; K488-A561 HydrophobicContact CD-CB 3.73Å; S559-A561 PolarHBondContact O-N 3.03Å; A561-L626 HydrophobicContact CB-CD2 3.81Å; A561-P627 HydrophobicContact CB-CG 4.4Å
562	L	82.4	Confident	87.1	Confident	58 Å²	58	54.2 Å²	54.2	30%	0.304	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-19.8	176.1	-65.3	171.6	0	0	0	112.5	Q485 T486 S559 A564	Q485-L562 HydrophobicContact CB-CD1 4.01Å; Q485-L562 HydrophobicContact CG-CD1 4.35Å; T486-L562 HydrophobicContact CG2-CD1 4.33Å; T486-L562 HydrophobicContact CG2-CD2 3.38Å; T486-L562 HydrophobicContact CG2-CG 3.58Å; S559-L562 PolarHBondContact O-N 3.46Å; L562-A564 HydrophobicContact CB-CB 4.26Å; L562-A564 PolarHBondContact O-N 3.48Å
563	Q	80.5	Confident	87.3	Confident	83 Å²	83	51.3 Å²	51.3	39%	0.388	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.7	-165.5	-55.5	-174.2	-74.5	0	0	111.5	W558 S559 H693	W558-Q563 WeakPolarHBondContact CH2-O 3.49Å; W558-Q563 HydrophobicContact CZ2-CB 4.29Å; S559-Q563 WeakPolarHBondContact O-CA 3.39Å; S559-Q563 PolarHBondContact O-N 3.05Å; Q563-H693 PolarHBondContact NE2-NE2 3.49Å
564	A	80.2	Confident	87.4	Confident	30 Å²	30	45.9 Å²	45.9	25%	0.248	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	161.8	-178.7	0	0	0	0	0	111.1	S559 L562	S559-A564 PolarHBondContact N-O 3.46Å; L562-A564 HydrophobicContact CB-CB 4.26Å; L562-A564 PolarHBondContact O-N 3.48Å
565	K	83.6	Confident	87.7	Confident	118 Å²	118	44.7 Å²	44.7	51%	0.513	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.3	169.4	-67.3	-173.9	179.3	-176.5	0	110.8	F557 W558	F557-K565 CarbonylContact O-C 3.51Å; W558-K565 HydrophobicContact CE3-CG 3.94Å; W558-K565 HydrophobicContact CZ3-CG 4.39Å
566	S	86.5	Confident	88.2	Confident	12 Å²	12	38.6 Å²	38.6	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-179.7	-178.8	-159.4	0	0	0	0	110.4	Q485 F557	Q485-S566 VanDerWaalsContact CD-OG 3.23Å; Q485-S566 WeakPolarHBondContact CG-OG 3.25Å; Q485-S566 PolarHBondContact NE2-OG 3.13Å; Q485-S566 VanDerWaalsContact NE2-OG 3.07Å; F557-S566 WeakPolarHBondContact CA-O 3.48Å; F557-S566 WeakPolarHBondContact CB-O 3.26Å; F557-S566 PolarHBondContact N-O 2.88Å; F557-S566 PolarHBondContact O-N 3.35Å; F557-S566 VanDerWaalsContact O-O 3.11Å
567	A	90.1	Very high	88.8	Confident	41 Å²	41	32.5 Å²	32.5	34%	0.339	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.9	167.9	0	0	0	0	0	109.7	C484	C484-A567 HydrophobicContact CB-CB 4.29Å; C484-A567 WeakPolarHBondContact CB-O 3.35Å; C484-A567 PolarHBondContact N-O 2.91Å; C484-A567 PolarHBondContact SG-O 3.41Å; C484-A567 VanDerWaalsContact SG-O 3.4Å
568	G	91.8	Very high	89.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	155.9	171.4	0	0	0	0	0	111.3	Q482 V554	Q482-G568 CarbonylContact O-C 3.43Å; Q482-G568 WeakPolarHBondContact O-CA 3.49Å; V554-G568 PolarHBondContact N-O 2.67Å; V554-G568 PolarHBondContact O-N 3.1Å
569	V	94.3	Very high	90	Very high	27 Å²	27	31.1 Å²	31.1	16%	0.164	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.6	167.4	175.5	0	0	0	0	108.1	I481 Q482 P551 E552	I481-V569 CarbonylContact C-O 3.6Å; I481-V569 WeakPolarHBondContact CA-O 3.19Å; Q482-V569 PolarHBondContact N-O 3.33Å; Q482-V569 PolarHBondContact O-N 3.24Å; P551-V569 HydrophobicContact CB-CG1 3.45Å; P551-V569 VanDerWaalsContact CB-CG1 3.45Å; E552-V569 WeakPolarHBondContact O-CA 3.43Å
570	K	93.3	Very high	90.6	Very high	50 Å²	50	31.4 Å²	31.4	22%	0.217	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.6	175.6	-173.9	176	-178.9	175.9	0	109.9	E479 R480 I481 P551 E552 V554	E479-K570 IonicContact OE1-NZ 2.69Å; E479-K570 PolarHBondContact OE1-NZ 2.85Å; E479-K570 VanDerWaalsContact OE1-NZ 3.15Å; E479-K570 WeakPolarHBondContact OE2-CE 3.48Å; E479-K570 IonicContact OE2-NZ 3.38Å; E479-K570 PolarHBondContact OE2-NZ 3.39Å; R480-K570 CarbonylContact O-C 3.55Å; R480-K570 WeakPolarHBondContact O-CA 3.22Å; I481-K570 HydrophobicContact CG1-CG 4.28Å; P551-K570 CarbonylContact C-O 3.53Å; P551-K570 WeakPolarHBondContact CA-O 3.43Å; E552-K570 PolarHBondContact N-O 2.89Å; E552-K570 PolarHBondContact O-N 2.86Å; V554-K570 HydrophobicContact CG2-CB 3.84Å
571	T	92.9	Very high	91.3	Very high	22 Å²	22	30.6 Å²	30.6	14%	0.135	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	130.5	173.5	-55.6	0	0	0	0	109.2	R480 R573	R480-T571 PolarHBondContact N-O 2.62Å; R480-T571 PolarHBondContact O-N 2.94Å; T571-R573 HydrophobicContact CG2-CG 4.46Å
572	S	92.6	Very high	92	Very high	29 Å²	29	29 Å²	29	20%	0.203	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.8	179.9	-57.3	0	0	0	0	110.7	E478	E478-S572 WeakPolarHBondContact O-CA 3.3Å
573	R	94.7	Very high	92.8	Very high	67 Å²	67	26.4 Å²	26.4	25%	0.253	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.7	179.3	-65.7	-66.6	167.2	158.2	-10.1	110.5	V477 E478 S549 T571 L614 A616	V477-R573 CarbonylContact C-O 3.57Å; V477-R573 WeakPolarHBondContact CA-O 3.41Å; E478-R573 PolarHBondContact N-O 3.43Å; E478-R573 PolarHBondContact O-N 3.45Å; S549-R573 PolarHBondContact O-NH2 3Å; S549-R573 VanDerWaalsContact O-NH2 3.1Å; T571-R573 HydrophobicContact CG2-CG 4.46Å; R573-L614 WeakPolarHBondContact CB-O 2.81Å; R573-L614 WeakPolarHBondContact CD-O 3.42Å; R573-L614 VanDerWaalsContact NH1-CD2 3.31Å; R573-A616 HydrophobicContact CB-CB 3.69Å
574	F	96	Very high	93.6	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111	177.1	-72.7	-93.7	0	0	0	110	F475 M499 F548 S576 F577 L581 I611 L614 R615 A616	F475-F574 AromaticContact CD2-CD1 3.58Å; F475-F574 HydrophobicContact CD2-CD1 3.58Å; F475-F574 AromaticContact CD2-CE1 3.67Å; F475-F574 HydrophobicContact CD2-CE1 3.67Å; F475-F574 AromaticContact CE2-CD1 3.67Å; F475-F574 HydrophobicContact CE2-CD1 3.67Å; F475-F574 AromaticContact CE2-CE1 3.32Å; F475-F574 HydrophobicContact CE2-CE1 3.32Å; F475-F574 HydrophobicContact CE2-CZ 4.34Å; F475-F574 HydrophobicContact CG-CD1 4.43Å; F475-F574 HydrophobicContact CG-CE1 4.45Å; F475-F574 AromaticContact CZ-CE1 3.87Å; F475-F574 HydrophobicContact CZ-CE1 3.87Å; M499-F574 HydrophobicContact CB-CZ 4.2Å; M499-F574 HydrophobicContact CE-CE2 4.49Å; M499-F574 HydrophobicContact CG-CZ 3.93Å; M499-F574 HydrophobicContact SD-CE2 4.28Å; M499-F574 HydrophobicContact SD-CZ 3.79Å; F548-F574 HydrophobicContact CE1-CD2 4.46Å; F548-F574 AromaticContact CE1-CE2 3.71Å; F548-F574 HydrophobicContact CE1-CE2 3.71Å; F548-F574 HydrophobicContact CE1-CZ 4.4Å; F548-F574 HydrophobicContact CZ-CE2 4.03Å; F548-F574 HydrophobicContact CZ-CZ 4.3Å; F574-S576 VanDerWaalsContact C-N 3.34Å; F574-F577 HydrophobicContact CB-CD1 3.84Å; F574-F577 HydrophobicContact CB-CE1 3.32Å; F574-F577 HydrophobicContact CB-CZ 3.93Å; F574-F577 AromaticContact CD1-CD1 3.98Å; F574-F577 HydrophobicContact CD1-CD1 3.98Å; F574-F577 AromaticContact CD1-CE1 3.96Å; F574-F577 HydrophobicContact CD1-CE1 3.96Å; F574-F577 AromaticContact CD2-CE1 3.84Å; F574-F577 HydrophobicContact CD2-CE1 3.84Å; F574-F577 AromaticContact CG-CD1 3.93Å; F574-F577 HydrophobicContact CG-CD1 3.93Å; F574-F577 AromaticContact CG-CE1 3.45Å; F574-F577 HydrophobicContact CG-CE1 3.45Å; F574-F577 VanDerWaalsContact CG-CE1 3.45Å; F574-F577 HydrophobicContact CG-CZ 4.4Å; F574-L581 HydrophobicContact CE1-CD1 4.11Å; F574-L581 HydrophobicContact CZ-CD1 4.43Å; F574-I611 HydrophobicContact CE2-CD1 4.4Å; F574-I611 HydrophobicContact CZ-CD1 4.49Å; F574-L614 HydrophobicContact CD2-CB 4.06Å; F574-L614 HydrophobicContact CE2-CD1 4.35Å; F574-L614 PolarHBondContact N-O 3.12Å; F574-L614 VanDerWaalsContact N-O 3.1Å; F574-R615 CarbonylContact O-C 3.52Å; F574-R615 WeakPolarHBondContact O-CA 3.43Å; F574-A616 WeakPolarHBondContact O-CB 3.36Å; F574-A616 PolarHBondContact O-N 3.24Å
575	A	95.5	Very high	94.3	Very high	22 Å²	22	21.8 Å²	21.8	18%	0.182	12%	0.115	C	C	.	.	S	Bend	trans	-69.7	-37	169.6	0	0	0	0	0	110.9	L476 E478 R615 A616	L476-A575 HydrophobicContact CB-CB 3.67Å; L476-A575 PolarHBondContact O-N 3.1Å; E478-A575 HydrophobicContact CB-CB 4.16Å; A575-R615 PolarHBondContact O-NH1 3.43Å; A575-R615 VanDerWaalsContact O-NH1 3.15Å; A575-A616 HydrophobicContact CB-CB 4.48Å
576	S	95.8	Very high	94.8	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	11%	0.111	C	C	.	.	S	Bend	trans	-133.7	159.9	172	72	0	0	0	0	112.3	F475 L476 F574 D801	F475-S576 WeakPolarHBondContact CA-OG 2.94Å; L476-S576 PolarHBondContact N-OG 2.94Å; L476-S576 PolarHBondContact O-N 2.84Å; F574-S576 VanDerWaalsContact C-N 3.34Å; S576-D801 WeakPolarHBondContact CA-OD1 3.41Å
577	F	96.9	Very high	94.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.			trans	-113.4	124.6	177.5	-77.8	-42.9	0	0	0	110.4	F574 I611 R615 D801 Y806 R860	F574-F577 HydrophobicContact CB-CD1 3.84Å; F574-F577 HydrophobicContact CB-CE1 3.32Å; F574-F577 HydrophobicContact CB-CZ 3.93Å; F574-F577 AromaticContact CD1-CD1 3.98Å; F574-F577 HydrophobicContact CD1-CD1 3.98Å; F574-F577 AromaticContact CD1-CE1 3.96Å; F574-F577 HydrophobicContact CD1-CE1 3.96Å; F574-F577 AromaticContact CD2-CE1 3.84Å; F574-F577 HydrophobicContact CD2-CE1 3.84Å; F574-F577 AromaticContact CG-CD1 3.93Å; F574-F577 HydrophobicContact CG-CD1 3.93Å; F574-F577 AromaticContact CG-CE1 3.45Å; F574-F577 HydrophobicContact CG-CE1 3.45Å; F574-F577 VanDerWaalsContact CG-CE1 3.45Å; F574-F577 HydrophobicContact CG-CZ 4.4Å; F577-I611 HydrophobicContact CD1-CD1 3.84Å; F577-I611 HydrophobicContact CD1-CG1 4.28Å; F577-I611 HydrophobicContact CE1-CD1 3.49Å; F577-I611 VanDerWaalsContact CE1-CD1 3.49Å; F577-I611 HydrophobicContact CE1-CG1 3.72Å; F577-I611 HydrophobicContact CZ-CD1 4.33Å; F577-I611 HydrophobicContact CZ-CG1 4.08Å; F577-I611 VanDerWaalsContact CZ-O 3.23Å; F577-I611 WeakPolarHBondContact CZ-O 3.35Å; F577-R615 HydrophobicContact CE2-CB 3.89Å; F577-R615 HydrophobicContact CE2-CG 4.41Å; F577-R615 HydrophobicContact CZ-CB 4.04Å; F577-D801 PolarHBondContact N-OD1 2.9Å; F577-Y806 VanDerWaalsContact CB-OH 3.26Å; F577-Y806 WeakPolarHBondContact CB-OH 3.29Å; F577-R860 PolarHBondContact O-NH1 3.27Å
578	P	96.3	Very high	94.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.			trans	-72.5	169	-177.5	31.4	-35.1	0	0	0	112.3	V472 F475 L581 Y806 R860	V472-P578 WeakPolarHBondContact O-CB 3.32Å; F475-P578 HydrophobicContact CB-CB 4.13Å; F475-P578 HydrophobicContact CB-CG 4.09Å; F475-P578 HydrophobicContact CD1-CB 4.29Å; F475-P578 HydrophobicContact CD1-CG 3.81Å; F475-P578 HydrophobicContact CG-CG 4.21Å; P578-L581 HydrophobicContact CG-CB 4.02Å; P578-L581 HydrophobicContact CG-CD1 3.94Å; P578-Y806 VanDerWaalsContact CD-OH 3.31Å; P578-Y806 WeakPolarHBondContact CD-OH 3.16Å; P578-Y806 WeakPolarHBondContact O-CE1 3.49Å; P578-Y806 PolarHBondContact O-OH 2.89Å; P578-R860 PolarHBondContact O-NH1 2.91Å
579	E	95.7	Very high	94.2	Very high	39 Å²	39	24.6 Å²	24.6	18%	0.182	12%	0.124	C	C	.	.	S	Bend	trans	-74.4	-37.9	174.5	-171.6	165.5	-143.7	0	0	110.9	V472 K800 R860	V472-E579 HydrophobicContact CB-CB 4.36Å; V472-E579 PolarHBondContact O-N 2.89Å; E579-K800 IonicContact OE2-NZ 3.43Å; E579-K800 PolarHBondContact OE2-NZ 3.08Å; E579-K800 VanDerWaalsContact OE2-NZ 3.1Å; E579-R860 VanDerWaalsContact O-CB 3.32Å; E579-R860 WeakPolarHBondContact O-CB 3.4Å; E579-R860 PolarHBondContact O-N 3.22Å
580	Y	97.2	Very high	93.3	Very high	6 Å²	6	29.3 Å²	29.3	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	111.3	168.6	-76.9	-96.1	0	0	0	109.8	I357 P358 V472 F473 F809 Y858 H859	I357-Y580 HydrophobicContact CD1-CD1 4.19Å; I357-Y580 HydrophobicContact CD1-CE1 4.42Å; I357-Y580 HydrophobicContact CD1-CG 4.34Å; I357-Y580 HydrophobicContact CG1-CD1 4.17Å; I357-Y580 HydrophobicContact CG1-CE1 3.89Å; I357-Y580 HydrophobicContact CG1-CE2 4.45Å; I357-Y580 HydrophobicContact CG2-CD2 4.02Å; I357-Y580 HydrophobicContact CG2-CE2 3.62Å; P358-Y580 VanDerWaalsContact CD-OH 3.26Å; P358-Y580 WeakPolarHBondContact CD-OH 3.34Å; V472-Y580 HydrophobicContact CB-CD2 4.2Å; V472-Y580 HydrophobicContact CG2-CD2 4.41Å; V472-Y580 PolarHBondContact O-N 2.9Å; F473-Y580 HydrophobicContact CE1-CG 4.48Å; Y580-F809 HydrophobicContact CD1-CD1 4.26Å; Y580-F809 AromaticContact CE1-CD1 3.85Å; Y580-F809 HydrophobicContact CE1-CD1 3.85Å; Y580-F809 HydrophobicContact CE1-CD2 4.36Å; Y580-F809 HydrophobicContact CE1-CE1 4.09Å; Y580-F809 AromaticContact CE1-CG 3.98Å; Y580-F809 HydrophobicContact CE1-CG 3.98Å; Y580-F809 HydrophobicContact CE1-CZ 4.42Å; Y580-Y858 CarbonylContact C-O 3.59Å; Y580-Y858 VanDerWaalsContact CA-O 3.26Å; Y580-Y858 WeakPolarHBondContact CA-O 3.38Å; Y580-H859 HydrophobicContact CD1-CB 4.07Å; Y580-H859 HydrophobicContact CE1-CB 3.67Å; Y580-H859 AromaticContact CE1-CD2 3.73Å; Y580-H859 AromaticContact CE1-CG 3.87Å; Y580-H859 AromaticContact CE2-CD2 3.49Å; Y580-H859 VanDerWaalsContact CE2-CD2 3.49Å; Y580-H859 WeakPolarHBondContact CE2-CD2 3.43Å; Y580-H859 AromaticContact CZ-CD2 3.3Å; Y580-H859 AromaticContact CZ-CG 3.82Å; Y580-H859 AromaticContact CZ-NE2 4Å
581	L	97.9	Very high	92.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.2	174.3	178.3	68.8	0	0	0	109.8	F475 M499 F574 P578 V583 L609 I611 Y806 Y858	F475-L581 HydrophobicContact CE1-CD1 4.47Å; M499-L581 HydrophobicContact CB-CD1 4.19Å; F574-L581 HydrophobicContact CE1-CD1 4.11Å; F574-L581 HydrophobicContact CZ-CD1 4.43Å; P578-L581 HydrophobicContact CG-CB 4.02Å; P578-L581 HydrophobicContact CG-CD1 3.94Å; L581-V583 HydrophobicContact CD2-CG2 4.05Å; L581-V583 HydrophobicContact CG-CG2 3.94Å; L581-L609 HydrophobicContact CD2-CD2 4.08Å; L581-I611 HydrophobicContact CD2-CD1 3.61Å; L581-Y806 HydrophobicContact CB-CD1 4.02Å; L581-Y806 HydrophobicContact CB-CE1 3.61Å; L581-Y806 HydrophobicContact CD2-CD2 4.49Å; L581-Y806 HydrophobicContact CD2-CE2 4.22Å; L581-Y858 PolarHBondContact N-O 3.15Å; L581-Y858 PolarHBondContact O-N 3.41Å
582	V	98.3	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.1	173.2	-172.6	0	0	0	0	108.9	F452 F473 L498 M499 M855 Y856 F857	F452-V582 HydrophobicContact CE1-CG1 4.33Å; F452-V582 HydrophobicContact CE1-CG2 4.37Å; F452-V582 HydrophobicContact CE2-CG2 4.47Å; F452-V582 HydrophobicContact CZ-CG1 4.46Å; F452-V582 HydrophobicContact CZ-CG2 3.84Å; F473-V582 HydrophobicContact CD1-CG2 3.58Å; F473-V582 HydrophobicContact CE1-CG2 3.94Å; F473-V582 HydrophobicContact CG-CG2 4.33Å; L498-V582 CarbonylContact C-O 3.51Å; L498-V582 WeakPolarHBondContact CA-O 3.07Å; L498-V582 HydrophobicContact CB-CB 4.12Å; L498-V582 HydrophobicContact CB-CG1 4.16Å; M499-V582 PolarHBondContact N-O 3.46Å; V582-M855 HydrophobicContact CG1-CE 4.05Å; V582-Y856 CarbonylContact C-O 3.57Å; V582-Y856 WeakPolarHBondContact CA-O 3.06Å; V582-F857 HydrophobicContact CG1-CD1 4.47Å; V582-F857 HydrophobicContact CG1-CE1 4.13Å; V582-F857 HydrophobicContact CG1-CZ 4.35Å; V582-F857 HydrophobicContact CG2-CD1 3.76Å; V582-F857 HydrophobicContact CG2-CE1 3.77Å
583	V	97.9	Very high	90.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.2	180	-174.6	0	0	0	0	109.6	M499 L501 L581 I585 M605 M855 Y856 Y858	M499-V583 HydrophobicContact CB-CG2 4.42Å; M499-V583 CarbonylContact O-C 3.45Å; M499-V583 WeakPolarHBondContact O-CA 3.08Å; M499-V583 HydrophobicContact SD-CG2 4.3Å; L501-V583 HydrophobicContact CB-CG1 3.78Å; L501-V583 HydrophobicContact CD2-CG1 4.3Å; L581-V583 HydrophobicContact CD2-CG2 4.05Å; L581-V583 HydrophobicContact CG-CG2 3.94Å; V583-I585 HydrophobicContact CG1-CD1 4.45Å; V583-M605 HydrophobicContact CG1-CE 4.38Å; V583-M855 CarbonylContact O-C 3.55Å; V583-M855 WeakPolarHBondContact O-CA 3.29Å; V583-Y856 PolarHBondContact N-O 3.22Å; V583-Y856 PolarHBondContact O-N 2.89Å; V583-Y858 HydrophobicContact CG2-CD2 4.1Å; V583-Y858 HydrophobicContact CG2-CE2 4.37Å
584	Q	97.3	Very high	89.6	Confident	14 Å²	14	44.8 Å²	44.8	7%	0.065	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.5	171.5	-178.6	-170.6	19.6	0	0	109.3	Q449 L498 M499 L501 K586 Y854	Q449-Q584 HydrophobicContact CG-CG 4.31Å; L498-Q584 HydrophobicContact CD1-CB 3.97Å; M499-Q584 PolarHBondContact O-N 3.3Å; L501-Q584 PolarHBondContact N-O 3.26Å; Q584-K586 PolarHBondContact O-N 2.64Å; Q584-Y854 HydrophobicContact CG-CE2 3.78Å; Q584-Y854 PolarHBondContact NE2-OH 3.17Å
585	I	96.3	Very high	88.2	Confident	3 Å²	3	48 Å²	48	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.1	170.3	-51.8	-57.8	0	0	0	108.7	L501 V503 V583 K587 I603 M605 Y854 Y856	L501-I585 HydrophobicContact CB-CD1 4.23Å; L501-I585 HydrophobicContact CD2-CD1 3.71Å; V503-I585 HydrophobicContact CG2-CG2 3.49Å; V503-I585 VanDerWaalsContact CG2-CG2 3.49Å; V583-I585 HydrophobicContact CG1-CD1 4.45Å; I585-K587 HydrophobicContact CG2-CB 4.09Å; I585-K587 PolarHBondContact O-N 2.82Å; I585-I603 HydrophobicContact CG2-CD1 3.72Å; I585-M605 HydrophobicContact CD1-CE 4.11Å; I585-M605 HydrophobicContact CD1-SD 3.95Å; I585-Y854 PolarHBondContact N-O 2.96Å; I585-Y856 HydrophobicContact CD1-CD2 4.23Å; I585-Y856 HydrophobicContact CD1-CE2 4.03Å; I585-Y856 HydrophobicContact CG1-CD2 4.04Å; I585-Y856 HydrophobicContact CG1-CE2 3.59Å
586	K	93.4	Very high	87.1	Confident	97 Å²	97	50 Å²	50	42%	0.422	25%	0.248	S	C	.	.			trans	-75.3	62.2	176.1	-61.2	-172.5	84.2	155.4	0	111.4	Q500 L501 V503 Q584 F588	Q500-K586 HydrophobicContact CB-CD 3.87Å; Q500-K586 HydrophobicContact CB-CG 4Å; L501-K586 PolarHBondContact O-N 3.39Å; V503-K586 WeakPolarHBondContact CG2-O 3.25Å; Q584-K586 PolarHBondContact O-N 2.64Å; K586-F588 PolarHBondContact O-N 3.32Å
587	K	88	Confident	86	Confident	7 Å²	7	55.1 Å²	55.1	3%	0.03	27%	0.269	C	S	.	.			trans	-85.5	33	-179.6	64.6	-176.9	177.1	-171	0	113.5	V503 I585 K598 F599 V601 L852 G853 Y854	V503-K587 HydrophobicContact CG2-CB 4.39Å; I585-K587 HydrophobicContact CG2-CB 4.09Å; I585-K587 PolarHBondContact O-N 2.82Å; K587-K598 CarbonylContact O-C 3.59Å; K587-K598 WeakPolarHBondContact O-CA 3.44Å; K587-F599 HydrophobicContact CB-CB 4.14Å; K587-F599 PolarHBondContact O-N 3.11Å; K587-V601 HydrophobicContact CB-CG2 4.25Å; K587-L852 PolarHBondContact NZ-O 3.5Å; K587-L852 VanDerWaalsContact NZ-O 3.07Å; K587-G853 PolarHBondContact NZ-O 3.28Å; K587-Y854 HydrophobicContact CG-CD2 4.43Å
588	F	84.9	Confident	85.3	Confident	67 Å²	67	56.1 Å²	56.1	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.3	177.9	-53.3	-74.9	0	0	0	109.9	K586 K597 K598 T819 Y854	K586-F588 PolarHBondContact O-N 3.32Å; F588-K597 WeakPolarHBondContact CA-O 3.1Å; F588-K598 HydrophobicContact CD1-CB 4.03Å; F588-K598 HydrophobicContact CD1-CG 4.13Å; F588-K598 HydrophobicContact CE1-CB 4.03Å; F588-K598 HydrophobicContact CE1-CD 4.31Å; F588-K598 HydrophobicContact CE1-CG 3.81Å; F588-T819 HydrophobicContact CD1-CG2 3.86Å; F588-T819 HydrophobicContact CE1-CG2 4.29Å; F588-Y854 HydrophobicContact CD2-CE2 4.41Å; F588-Y854 HydrophobicContact CE2-CD2 4.17Å; F588-Y854 AromaticContact CE2-CE2 3.5Å; F588-Y854 HydrophobicContact CE2-CE2 3.5Å; F588-Y854 VanDerWaalsContact CE2-CE2 3.5Å; F588-Y854 AromaticContact CE2-CZ 3.84Å; F588-Y854 HydrophobicContact CZ-CE2 4.27Å
589	T	83.4	Confident	84.7	Confident	59 Å²	59	58.6 Å²	58.6	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	171.6	176.4	-166.1	0	0	0	0	110.7	P596 K597 F599	T589-P596 CarbonylContact O-C 3.47Å; T589-P596 WeakPolarHBondContact O-CA 3.46Å; T589-K597 HydrophobicContact CG2-CB 4.48Å; T589-K597 PolarHBondContact N-O 3Å; T589-K597 PolarHBondContact O-N 2.91Å; T589-F599 VanDerWaalsContact CB-CZ 3.45Å; T589-F599 HydrophobicContact CG2-CD1 4.22Å; T589-F599 HydrophobicContact CG2-CE1 3.39Å; T589-F599 HydrophobicContact CG2-CE2 3.86Å; T589-F599 HydrophobicContact CG2-CZ 3.19Å
590	F	76	Confident	84	Confident	125 Å²	125	58.6 Å²	58.6	55%	0.548	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.8	169.9	-68.5	-72.7	0	0	0	111	W594 P596	F590-W594 HydrophobicContact CB-CE3 4.18Å; F590-W594 HydrophobicContact CD1-CE3 4.34Å; F590-W594 WeakPolarHBondContact CD1-O 3.37Å; F590-W594 HydrophobicContact CD2-CE3 4.45Å; F590-W594 HydrophobicContact CG-CE3 4.07Å; F590-P596 HydrophobicContact CD1-CG 4.32Å; F590-P596 HydrophobicContact CE1-CG 4.01Å
591	G	73.3	Confident	83.7	Confident	14 Å²	14	58.8 Å²	58.8	14%	0.144	29%	0.287	C	S	.	.			trans	-70.4	175.2	165.5	0	0	0	0	0	112.3	D593 W594 V595	G591-D593 PolarHBondContact O-N 3.18Å; G591-D593 VanDerWaalsContact O-N 3.11Å; G591-W594 PolarHBondContact O-N 2.97Å; G591-V595 PolarHBondContact N-O 2.9Å
592	L	75.1	Confident	83.5	Confident	184 Å²	184	59.7 Å²	59.7	96%	0.963	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.5	176.8	-64.3	172.4	0	0	0	113.4
593	D	77.7	Confident	83.4	Confident	99 Å²	99	59.9 Å²	59.9	53%	0.529	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	10.5	179.6	55.4	-15.6	0	0	0	113.2	G591 V595	G591-D593 PolarHBondContact O-N 3.18Å; G591-D593 VanDerWaalsContact O-N 3.11Å; D593-V595 HydrophobicContact CB-CG2 4.28Å; D593-V595 VanDerWaalsContact CG-CG2 3.45Å; D593-V595 PolarHBondContact O-N 3.01Å; D593-V595 VanDerWaalsContact O-N 3.15Å; D593-V595 PolarHBondContact OD1-N 3.04Å; D593-V595 WeakPolarHBondContact OD2-CG2 3.44Å
594	W	68.4	Low	83.1	Confident	197 Å²	197	65.5 Å²	65.5	75%	0.746	33%	0.325	S	S	*	.	S	Bend	trans	60.6	14.6	-172.8	-57.9	94.4	0	0	0	114.4	F590 G591 P596	F590-W594 HydrophobicContact CB-CE3 4.18Å; F590-W594 HydrophobicContact CD1-CE3 4.34Å; F590-W594 WeakPolarHBondContact CD1-O 3.37Å; F590-W594 HydrophobicContact CD2-CE3 4.45Å; F590-W594 HydrophobicContact CG-CE3 4.07Å; G591-W594 PolarHBondContact O-N 2.97Å; W594-P596 WeakPolarHBondContact O-CD 3.43Å
595	V	66.9	Low	83	Confident	70 Å²	70	65 Å²	65	42%	0.424	32%	0.322	S	S	.	.			trans	-77.4	124.2	171.5	177.3	0	0	0	0	108.4	G591 D593 K597	G591-V595 PolarHBondContact N-O 2.9Å; D593-V595 HydrophobicContact CB-CG2 4.28Å; D593-V595 VanDerWaalsContact CG-CG2 3.45Å; D593-V595 PolarHBondContact O-N 3.01Å; D593-V595 VanDerWaalsContact O-N 3.15Å; D593-V595 PolarHBondContact OD1-N 3.04Å; D593-V595 WeakPolarHBondContact OD2-CG2 3.44Å; V595-K597 PolarHBondContact O-N 3.06Å
596	P	71.8	Confident	83	Confident	64 Å²	64	66.5 Å²	66.5	42%	0.416	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.2	177.7	-21.2	32.1	0	0	0	111.2	T589 F590 W594 T819	T589-P596 CarbonylContact O-C 3.47Å; T589-P596 WeakPolarHBondContact O-CA 3.46Å; F590-P596 HydrophobicContact CD1-CG 4.32Å; F590-P596 HydrophobicContact CE1-CG 4.01Å; W594-P596 WeakPolarHBondContact O-CD 3.43Å; P596-T819 HydrophobicContact CB-CG2 4.1Å; P596-T819 VanDerWaalsContact O-CG2 3.3Å; P596-T819 WeakPolarHBondContact O-CG2 3.38Å; P596-T819 PolarHBondContact O-OG1 2.93Å
597	K	74.3	Confident	83.1	Confident	110 Å²	110	65 Å²	65	48%	0.478	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.9	178.1	-68.5	-177.6	-178.2	179.3	0	110.4	F588 T589 V595 T819	F588-K597 WeakPolarHBondContact CA-O 3.1Å; T589-K597 HydrophobicContact CG2-CB 4.48Å; T589-K597 PolarHBondContact N-O 3Å; T589-K597 PolarHBondContact O-N 2.91Å; V595-K597 PolarHBondContact O-N 3.06Å; K597-T819 VanDerWaalsContact C-CG2 3.43Å
598	K	82.4	Confident	83.5	Confident	22 Å²	22	70.3 Å²	70.3	10%	0.096	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.4	170.7	-175.3	-177	176.7	-173.3	0	108.3	E316 K587 F588 D600 H814 G816 T819	E316-K598 IonicContact OE1-NZ 2.71Å; K587-K598 CarbonylContact O-C 3.59Å; K587-K598 WeakPolarHBondContact O-CA 3.44Å; F588-K598 HydrophobicContact CD1-CB 4.03Å; F588-K598 HydrophobicContact CD1-CG 4.13Å; F588-K598 HydrophobicContact CE1-CB 4.03Å; F588-K598 HydrophobicContact CE1-CD 4.31Å; F588-K598 HydrophobicContact CE1-CG 3.81Å; K598-D600 PolarHBondContact O-N 2.86Å; K598-H814 PolarHBondContact NZ-ND1 3.18Å; K598-H814 PolarHBondContact NZ-O 2.88Å; K598-G816 WeakPolarHBondContact CD-O 3.49Å; K598-G816 WeakPolarHBondContact CE-O 3.17Å; K598-G816 PolarHBondContact NZ-O 3.31Å; K598-T819 HydrophobicContact CB-CG2 3.96Å
599	F	83.6	Confident	84	Confident	52 Å²	52	67.5 Å²	67.5	23%	0.228	35%	0.346	C	S	.	.			trans	-73.8	110.4	164.2	-67.6	-45	0	0	0	108.4	V503 M505 K587 T589 V601	V503-F599 HydrophobicContact CB-CD2 4.49Å; M505-F599 HydrophobicContact CE-CD1 4.41Å; M505-F599 HydrophobicContact CG-CD1 4.36Å; M505-F599 HydrophobicContact CG-CE1 4.09Å; M505-F599 HydrophobicContact CG-CE2 4.3Å; M505-F599 HydrophobicContact CG-CZ 4.03Å; M505-F599 HydrophobicContact SD-CB 4.42Å; M505-F599 HydrophobicContact SD-CD1 4.03Å; M505-F599 HydrophobicContact SD-CD2 4.49Å; M505-F599 HydrophobicContact SD-CE1 4.34Å; M505-F599 HydrophobicContact SD-CG 4.11Å; K587-F599 HydrophobicContact CB-CB 4.14Å; K587-F599 PolarHBondContact O-N 3.11Å; T589-F599 VanDerWaalsContact CB-CZ 3.45Å; T589-F599 HydrophobicContact CG2-CD1 4.22Å; T589-F599 HydrophobicContact CG2-CE1 3.39Å; T589-F599 HydrophobicContact CG2-CE2 3.86Å; T589-F599 HydrophobicContact CG2-CZ 3.19Å; F599-V601 VanDerWaalsContact C-N 3.3Å; F599-V601 HydrophobicContact CB-CG1 3.79Å; F599-V601 HydrophobicContact CB-CG2 4.48Å; F599-V601 PolarHBondContact O-N 3.06Å; F599-V601 VanDerWaalsContact O-N 3.09Å
600	D	80.9	Confident	84.6	Confident	39 Å²	39	69.1 Å²	69.1	21%	0.209	35%	0.352	C	S	.	.			trans	-82.9	80.5	172.5	-166.4	10.9	0	0	0	109.3	R536 K598	R536-D600 VanDerWaalsContact CD-OD1 3.32Å; R536-D600 WeakPolarHBondContact CD-OD1 3.26Å; R536-D600 IonicContact CZ-OD1 2.83Å; R536-D600 IonicContact NE-OD1 3.74Å; R536-D600 PolarHBondContact NE-OD1 2.9Å; R536-D600 IonicContact NE-OD2 3.73Å; K598-D600 PolarHBondContact O-N 2.86Å
601	V	89.9	Confident	85.5	Confident	9 Å²	9	63.2 Å²	63.2	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.5	-173.3	-64.1	0	0	0	0	110.9	V503 M505 A537 I539 K587 F599 I603	V503-V601 HydrophobicContact CG1-CG1 4.07Å; V503-V601 HydrophobicContact CG1-CG2 4.19Å; M505-V601 HydrophobicContact CE-CG1 4.34Å; M505-V601 HydrophobicContact SD-CG1 3.59Å; M505-V601 VanDerWaalsContact SD-CG1 3.59Å; A537-V601 HydrophobicContact CB-CG1 4.21Å; A537-V601 WeakPolarHBondContact O-CA 3.31Å; I539-V601 HydrophobicContact CD1-CB 4.09Å; I539-V601 HydrophobicContact CD1-CG1 3.68Å; K587-V601 HydrophobicContact CB-CG2 4.25Å; F599-V601 VanDerWaalsContact C-N 3.3Å; F599-V601 HydrophobicContact CB-CG1 3.79Å; F599-V601 HydrophobicContact CB-CG2 4.48Å; F599-V601 PolarHBondContact O-N 3.06Å; F599-V601 VanDerWaalsContact O-N 3.09Å; V601-I603 HydrophobicContact CG2-CD1 3.9Å; V601-I603 HydrophobicContact CG2-CG1 4.26Å
602	S	94	Very high	86.6	Confident	20 Å²	20	65.4 Å²	65.4	14%	0.14	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.4	170	169.6	0	0	0	0	107.6	A537 K538 I539 D851	A537-S602 PolarHBondContact O-N 3.24Å; K538-S602 WeakPolarHBondContact CA-O 3.36Å; I539-S602 PolarHBondContact N-O 3.02Å; S602-D851 WeakPolarHBondContact CA-O 3.5Å; S602-D851 WeakPolarHBondContact CB-OD2 3.33Å; S602-D851 PolarHBondContact OG-OD2 3.18Å
603	I	95.1	Very high	87.4	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.015	31%	0.314	C	S	.	.			trans	-123.7	105.3	178.8	-63.5	162.2	0	0	0	107.5	V503 I539 F541 I585 V601 M605 D851	V503-I603 HydrophobicContact CG1-CD1 4.37Å; V503-I603 HydrophobicContact CG2-CD1 4.05Å; I539-I603 HydrophobicContact CB-CG1 3.95Å; I539-I603 HydrophobicContact CG2-CG1 4.43Å; F541-I603 HydrophobicContact CB-CG2 4.15Å; I585-I603 HydrophobicContact CG2-CD1 3.72Å; V601-I603 HydrophobicContact CG2-CD1 3.9Å; V601-I603 HydrophobicContact CG2-CG1 4.26Å; I603-M605 HydrophobicContact CG2-SD 3.87Å; I603-M605 PolarHBondContact O-N 3.27Å; I603-D851 PolarHBondContact N-O 3.26Å; I603-D851 WeakPolarHBondContact O-CA 3.35Å
604	D	92.6	Very high	88.2	Confident	121 Å²	121	57.6 Å²	57.6	65%	0.647	29%	0.289	S	S	*	.			trans	-67.8	101	179.8	-170.5	24.9	0	0	0	110.6	F541	F541-D604 WeakPolarHBondContact CB-O 3.01Å
605	M	95.4	Very high	89.5	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.266	C	S	.	.			trans	-80.9	129.1	-178.1	-66.3	-64.2	-72.9	0	0	110.3	F541 V583 I585 I603 Y856 Y858	F541-M605 HydrophobicContact CD2-CE 4.1Å; F541-M605 HydrophobicContact CD2-SD 3.59Å; F541-M605 VanDerWaalsContact CD2-SD 3.59Å; F541-M605 HydrophobicContact CE2-CE 3.97Å; F541-M605 HydrophobicContact CE2-SD 4.09Å; V583-M605 HydrophobicContact CG1-CE 4.38Å; I585-M605 HydrophobicContact CD1-CE 4.11Å; I585-M605 HydrophobicContact CD1-SD 3.95Å; I603-M605 HydrophobicContact CG2-SD 3.87Å; I603-M605 PolarHBondContact O-N 3.27Å; M605-Y856 HydrophobicContact CB-CD1 4.14Å; M605-Y856 HydrophobicContact CB-CE1 3.83Å; M605-Y856 HydrophobicContact CE-CD1 4.46Å; M605-Y856 HydrophobicContact CE-CD2 3.95Å; M605-Y856 HydrophobicContact CE-CE2 4.32Å; M605-Y856 HydrophobicContact CE-CG 4.03Å; M605-Y856 HydrophobicContact CG-CD1 3.99Å; M605-Y856 HydrophobicContact CG-CD2 4.26Å; M605-Y856 HydrophobicContact CG-CE1 3.52Å; M605-Y856 HydrophobicContact CG-CE2 3.81Å; M605-Y856 HydrophobicContact CG-CG 4.34Å; M605-Y856 HydrophobicContact SD-CE2 4.42Å; M605-Y858 HydrophobicContact CE-CE2 4.05Å
606	P	95.9	Very high	90.8	Very high	35 Å²	35	49 Å²	49	23%	0.227	25%	0.253	C	S	.	.			trans	-71.4	143.5	-172.8	30.3	-36.8	0	0	0	112.4	F541 L608 L609 Y858	F541-P606 HydrophobicContact CD1-CG 3.85Å; F541-P606 HydrophobicContact CE1-CG 3.82Å; F541-P606 HydrophobicContact CG-CG 4.4Å; F541-P606 HydrophobicContact CZ-CG 4.34Å; P606-L608 VanDerWaalsContact C-N 3.26Å; P606-L608 WeakPolarHBondContact CB-O 3.47Å; P606-L608 PolarHBondContact O-N 2.91Å; P606-L609 HydrophobicContact CG-CB 4.43Å; P606-L609 HydrophobicContact CG-CD1 4.21Å; P606-Y858 VanDerWaalsContact O-CE1 3.27Å; P606-Y858 WeakPolarHBondContact O-CE1 3.25Å; P606-Y858 PolarHBondContact O-OH 2.77Å
607	D	94.9	Very high	91.7	Very high	66 Å²	66	55.7 Å²	55.7	35%	0.353	27%	0.27	S	S	.	.	S	Bend	trans	-67.8	-29.7	172.3	-72.7	-50.2	0	0	0	112.3	E807 L808 K850	D607-E807 CarbonylContact O-C 3.54Å; D607-E807 VanDerWaalsContact O-CA 3.28Å; D607-E807 WeakPolarHBondContact O-CA 3.37Å; D607-L808 PolarHBondContact O-N 3.25Å; D607-K850 IonicContact OD1-NZ 3.28Å; D607-K850 PolarHBondContact OD1-NZ 3.39Å; D607-K850 IonicContact OD2-NZ 3.1Å; D607-K850 PolarHBondContact OD2-NZ 3.17Å
608	L	96.6	Very high	92.6	Very high	119 Å²	119	51.5 Å²	51.5	62%	0.623	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.8	176.6	-67.3	172.3	0	0	0	109.1	P606 Y806 E807 I861	P606-L608 VanDerWaalsContact C-N 3.26Å; P606-L608 WeakPolarHBondContact CB-O 3.47Å; P606-L608 PolarHBondContact O-N 2.91Å; L608-Y806 CarbonylContact C-O 3.58Å; L608-Y806 WeakPolarHBondContact CA-O 3.43Å; L608-E807 HydrophobicContact CD2-CB 4.26Å; L608-E807 HydrophobicContact CD2-CG 4.31Å; L608-I861 HydrophobicContact CD2-CD1 3.77Å
609	L	96.3	Very high	93	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.7	-175.9	176.1	62.6	0	0	0	110.1	F541 L581 P606 I611 T805 Y806 Y858	F541-L609 HydrophobicContact CE1-CD1 3.6Å; F541-L609 HydrophobicContact CZ-CD1 3.44Å; F541-L609 VanDerWaalsContact CZ-CD1 3.44Å; L581-L609 HydrophobicContact CD2-CD2 4.08Å; P606-L609 HydrophobicContact CG-CB 4.43Å; P606-L609 HydrophobicContact CG-CD1 4.21Å; L609-I611 HydrophobicContact CD1-CG2 3.71Å; L609-I611 HydrophobicContact CD2-CG2 4.25Å; L609-I611 HydrophobicContact CG-CG2 3.88Å; L609-T805 CarbonylContact O-C 3.53Å; L609-T805 WeakPolarHBondContact O-CA 3.46Å; L609-Y806 PolarHBondContact N-O 2.84Å; L609-Y806 PolarHBondContact O-N 2.89Å; L609-Y858 HydrophobicContact CB-CD1 3.85Å; L609-Y858 HydrophobicContact CB-CE1 3.65Å; L609-Y858 HydrophobicContact CD2-CD1 4.07Å; L609-Y858 HydrophobicContact CD2-CD2 4.18Å; L609-Y858 HydrophobicContact CD2-CE1 4.08Å; L609-Y858 HydrophobicContact CD2-CE2 4.19Å; L609-Y858 HydrophobicContact CD2-CG 4.11Å; L609-Y858 HydrophobicContact CG-CE1 4.5Å
610	D	95.8	Very high	93.4	Very high	92 Å²	92	54.9 Å²	54.9	49%	0.492	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111	171.5	-176.8	2.6	0	0	0	110.3	N612 H613	D610-N612 WeakPolarHBondContact OD1-CB 3.28Å; D610-N612 PolarHBondContact OD1-N 3.03Å; D610-N612 PolarHBondContact OD1-ND2 3.04Å; D610-H613 PolarHBondContact O-CE1 3.09Å
611	I	95.8	Very high	93.8	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.308	C	S	.	.			trans	-116.4	17.2	178	57.6	169.2	0	0	0	112.4	L545 F574 F577 L581 L609 H613 L614 G804 Y806	L545-I611 HydrophobicContact CD1-CG2 4.3Å; L545-I611 HydrophobicContact CD2-CG2 4.31Å; F574-I611 HydrophobicContact CE2-CD1 4.4Å; F574-I611 HydrophobicContact CZ-CD1 4.49Å; F577-I611 HydrophobicContact CD1-CD1 3.84Å; F577-I611 HydrophobicContact CD1-CG1 4.28Å; F577-I611 HydrophobicContact CE1-CD1 3.49Å; F577-I611 VanDerWaalsContact CE1-CD1 3.49Å; F577-I611 HydrophobicContact CE1-CG1 3.72Å; F577-I611 HydrophobicContact CZ-CD1 4.33Å; F577-I611 HydrophobicContact CZ-CG1 4.08Å; F577-I611 VanDerWaalsContact CZ-O 3.23Å; F577-I611 WeakPolarHBondContact CZ-O 3.35Å; L581-I611 HydrophobicContact CD2-CD1 3.61Å; L609-I611 HydrophobicContact CD1-CG2 3.71Å; L609-I611 HydrophobicContact CD2-CG2 4.25Å; L609-I611 HydrophobicContact CG-CG2 3.88Å; I611-H613 PolarHBondContact O-N 3.13Å; I611-H613 VanDerWaalsContact O-N 3.1Å; I611-L614 HydrophobicContact CB-CD1 4.18Å; I611-L614 HydrophobicContact CB-CG 4.44Å; I611-L614 HydrophobicContact CG2-CD1 4.18Å; I611-L614 WeakPolarHBondContact O-CB 3.39Å; I611-L614 PolarHBondContact O-N 3.15Å; I611-G804 WeakPolarHBondContact CG1-O 3.37Å; I611-G804 PolarHBondContact N-O 3.28Å; I611-Y806 HydrophobicContact CD1-CD2 4.47Å; I611-Y806 HydrophobicContact CD1-CE2 3.81Å; I611-Y806 HydrophobicContact CG1-CD2 4.3Å; I611-Y806 HydrophobicContact CG1-CE2 3.86Å
612	N	94.5	Very high	93.7	Very high	60 Å²	60	63 Å²	63	32%	0.321	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-57.1	-30.7	179.3	-77	-70.5	0	0	0	113.2	D610 L614 R615 G804 T805	D610-N612 WeakPolarHBondContact OD1-CB 3.28Å; D610-N612 PolarHBondContact OD1-N 3.03Å; D610-N612 PolarHBondContact OD1-ND2 3.04Å; N612-L614 PolarHBondContact O-N 2.94Å; N612-R615 VanDerWaalsContact O-CB 3.26Å; N612-R615 WeakPolarHBondContact O-CB 3.17Å; N612-R615 PolarHBondContact O-N 3.2Å; N612-R615 VanDerWaalsContact O-N 3.12Å; N612-G804 WeakPolarHBondContact OD1-CA 3.21Å; N612-G804 PolarHBondContact OD1-N 2.83Å; N612-T805 WeakPolarHBondContact ND2-CG2 3.32Å
613	H	93.5	Very high	93.6	Very high	117 Å²	117	64.3 Å²	64.3	54%	0.542	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-66.9	-14.5	175.9	66.4	-84.1	0	0	0	113.8	D610 I611	D610-H613 PolarHBondContact O-CE1 3.09Å; I611-H613 PolarHBondContact O-N 3.13Å; I611-H613 VanDerWaalsContact O-N 3.1Å
614	L	94.4	Very high	93.4	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.01	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-91.8	-0.1	174.4	-58.3	-175.8	0	0	0	113.4	L545 F548 R573 F574 I611 N612 A616	L545-L614 HydrophobicContact CD1-CD1 3.62Å; L545-L614 HydrophobicContact CG-CD1 4.13Å; F548-L614 HydrophobicContact CD1-CD1 4.35Å; R573-L614 WeakPolarHBondContact CB-O 2.81Å; R573-L614 WeakPolarHBondContact CD-O 3.42Å; R573-L614 VanDerWaalsContact NH1-CD2 3.31Å; F574-L614 HydrophobicContact CD2-CB 4.06Å; F574-L614 HydrophobicContact CE2-CD1 4.35Å; F574-L614 PolarHBondContact N-O 3.12Å; F574-L614 VanDerWaalsContact N-O 3.1Å; I611-L614 HydrophobicContact CB-CD1 4.18Å; I611-L614 HydrophobicContact CB-CG 4.44Å; I611-L614 HydrophobicContact CG2-CD1 4.18Å; I611-L614 WeakPolarHBondContact O-CB 3.39Å; I611-L614 PolarHBondContact O-N 3.15Å; N612-L614 PolarHBondContact O-N 2.94Å; L614-A616 PolarHBondContact O-N 2.97Å
615	R	95.2	Very high	93.3	Very high	70 Å²	70	70 Å²	70	26%	0.264	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-63.7	132.4	176.1	-175.7	169.4	-81.4	-88.3	7.6	110.4	F574 A575 F577 N612 D801 G802	F574-R615 CarbonylContact O-C 3.52Å; F574-R615 WeakPolarHBondContact O-CA 3.43Å; A575-R615 PolarHBondContact O-NH1 3.43Å; A575-R615 VanDerWaalsContact O-NH1 3.15Å; F577-R615 HydrophobicContact CE2-CB 3.89Å; F577-R615 HydrophobicContact CE2-CG 4.41Å; F577-R615 HydrophobicContact CZ-CB 4.04Å; N612-R615 VanDerWaalsContact O-CB 3.26Å; N612-R615 WeakPolarHBondContact O-CB 3.17Å; N612-R615 PolarHBondContact O-N 3.2Å; N612-R615 VanDerWaalsContact O-N 3.12Å; R615-D801 IonicContact CZ-OD1 3.48Å; R615-D801 IonicContact CZ-OD2 3.67Å; R615-D801 IonicContact NH1-OD1 3.75Å; R615-D801 PolarHBondContact NH1-OD1 3.01Å; R615-D801 IonicContact NH1-OD2 3.63Å; R615-D801 PolarHBondContact NH1-OD2 3.42Å; R615-D801 VanDerWaalsContact NH2-CG 3.33Å; R615-D801 IonicContact NH2-OD1 2.84Å; R615-D801 PolarHBondContact NH2-OD1 3.4Å; R615-D801 IonicContact NH2-OD2 3.89Å; R615-D801 PolarHBondContact NH2-OD2 3.29Å; R615-G802 PolarHBondContact NH2-O 3.29Å
616	A	93.6	Very high	92.9	Very high	16 Å²	16	70.3 Å²	70.3	13%	0.132	38%	0.375	C	S	.	.			trans	-68.6	159.6	176.9	0	0	0	0	0	111	E478 R573 F574 A575 L614	E478-A616 HydrophobicContact CB-CB 3.6Å; E478-A616 VanDerWaalsContact CD-CB 3.44Å; E478-A616 HydrophobicContact CG-CB 4.15Å; E478-A616 WeakPolarHBondContact OE1-CB 3.41Å; E478-A616 WeakPolarHBondContact OE2-CB 3.44Å; R573-A616 HydrophobicContact CB-CB 3.69Å; F574-A616 WeakPolarHBondContact O-CB 3.36Å; F574-A616 PolarHBondContact O-N 3.24Å; A575-A616 HydrophobicContact CB-CB 4.48Å; L614-A616 PolarHBondContact O-N 2.97Å
617	R	91.6	Very high	92.2	Very high	206 Å²	206	71.3 Å²	71.3	78%	0.777	38%	0.381	S	S	*	.			trans	-126.8	1.1	-176.5	-60	-174.2	180	-164.8	-0.5	112.7	Q620	R617-Q620 PolarHBondContact O-NE2 2.84Å
618	G	91.7	Very high	91	Very high	22 Å²	22	74.3 Å²	74.3	23%	0.227	40%	0.398	C	S	.	.			trans	62.6	-165.9	-171	0	0	0	0	0	113	E478 Y491 Q620	E478-G618 WeakPolarHBondContact OE2-CA 3.45Å; E478-G618 PolarHBondContact OE2-N 2.99Å; Y491-G618 PolarHBondContact OH-O 2.79Å; G618-Q620 PolarHBondContact O-N 2.76Å; G618-Q620 PolarHBondContact O-NE2 3.32Å
619	L	91.7	Very high	89.3	Confident	76 Å²	76	73.4 Å²	73.4	40%	0.398	39%	0.393	S	S	.	.	S	Bend	trans	-58.4	124.9	173.3	-176.1	69.9	0	0	0	110.9	V489 Y491 E623 E625	V489-L619 HydrophobicContact CG2-CD1 3.69Å; Y491-L619 HydrophobicContact CD2-CB 4.3Å; Y491-L619 HydrophobicContact CD2-CD1 4.17Å; Y491-L619 HydrophobicContact CE2-CB 4.13Å; Y491-L619 HydrophobicContact CE2-CD1 3.74Å; L619-E623 HydrophobicContact CD1-CB 3.74Å; L619-E625 HydrophobicContact CD1-CG 3.97Å; L619-E625 HydrophobicContact CD2-CG 4.04Å; L619-E625 WeakPolarHBondContact CD2-OE1 3.29Å
620	Q	92.8	Very high	87.1	Confident	68 Å²	68	77.5 Å²	77.5	32%	0.318	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-90	150.9	-179.9	-60.7	-55.7	-76.4	0	0	112.4	R617 G618 G622 E623	R617-Q620 PolarHBondContact O-NE2 2.84Å; G618-Q620 PolarHBondContact O-N 2.76Å; G618-Q620 PolarHBondContact O-NE2 3.32Å; Q620-G622 PolarHBondContact O-N 3.38Å; Q620-G622 VanDerWaalsContact O-N 3.13Å; Q620-E623 HydrophobicContact CB-CG 4.2Å; Q620-E623 WeakPolarHBondContact CB-OE2 3.27Å; Q620-E623 PolarHBondContact N-OE2 2.78Å; Q620-E623 PolarHBondContact O-N 2.8Å; Q620-E623 VanDerWaalsContact O-N 3.08Å
621	P	88.4	Confident	84.9	Confident	134 Å²	134	74.1 Å²	74.1	87%	0.87	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	118.4	171.5	-22.9	33.2	0	0	0	111.6
622	G	87.9	Confident	82.8	Confident	84 Å²	84	79.4 Å²	79.4	87%	0.866	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.6	-2.6	-178.7	0	0	0	0	0	114.8	Q620	Q620-G622 PolarHBondContact O-N 3.38Å; Q620-G622 VanDerWaalsContact O-N 3.13Å
623	E	91.9	Very high	80.7	Confident	48 Å²	48	81 Å²	81	22%	0.224	45%	0.447	C	S	.	.			trans	-87.2	140.1	166.6	-66.4	-179.6	138.9	0	0	110.6	R480 V489 Y491 L619 Q620	R480-E623 IonicContact CZ-OE1 2.86Å; R480-E623 IonicContact NE-OE1 2.64Å; R480-E623 PolarHBondContact NE-OE1 2.78Å; R480-E623 IonicContact NH2-OE1 2.74Å; R480-E623 PolarHBondContact NH2-OE1 3.49Å; V489-E623 HydrophobicContact CG2-CB 3.84Å; Y491-E623 PolarHBondContact OH-OE2 3.09Å; L619-E623 HydrophobicContact CD1-CB 3.74Å; Q620-E623 HydrophobicContact CB-CG 4.2Å; Q620-E623 WeakPolarHBondContact CB-OE2 3.27Å; Q620-E623 PolarHBondContact N-OE2 2.78Å; Q620-E623 PolarHBondContact O-N 2.8Å; Q620-E623 VanDerWaalsContact O-N 3.08Å
624	E	90.7	Very high	78.5	Confident	125 Å²	125	79.5 Å²	79.5	58%	0.584	45%	0.446	S	S	*	.			trans	-105.2	133.1	175.2	-71	-177.8	-170.1	0	0	109.7	K488 V489	K488-E624 CarbonylContact C-O 3.48Å; K488-E624 WeakPolarHBondContact CA-O 3.34Å; K488-E624 WeakPolarHBondContact CB-O 3.34Å; K488-E624 HydrophobicContact CD-CB 4.5Å; K488-E624 WeakPolarHBondContact CE-OE2 3.31Å; K488-E624 HydrophobicContact CG-CB 4.02Å; K488-E624 IonicContact NZ-OE2 2.94Å; V489-E624 PolarHBondContact N-O 3.47Å
625	E	89.9	Confident	76.1	Confident	118 Å²	118	86.2 Å²	86.2	55%	0.551	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-74.2	147.5	178.8	-70.2	-173.9	163.9	0	0	112.5	V489 L619	V489-E625 CarbonylContact O-C 3.56Å; V489-E625 VanDerWaalsContact O-CA 3.24Å; V489-E625 WeakPolarHBondContact O-CA 3.48Å; L619-E625 HydrophobicContact CD1-CG 3.97Å; L619-E625 HydrophobicContact CD2-CG 4.04Å; L619-E625 WeakPolarHBondContact CD2-OE1 3.29Å
626	L	86.9	Confident	73.5	Confident	9 Å²	9	86.1 Å²	86.1	5%	0.047	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-66.6	130.9	169.3	-79.2	167.6	0	0	0	109.1	C483 K488 V489 R490 F557 A561	C483-L626 HydrophobicContact CB-CD2 4.31Å; K488-L626 HydrophobicContact CB-CD2 3.64Å; K488-L626 HydrophobicContact CB-CG 3.82Å; V489-L626 PolarHBondContact O-N 3.17Å; R490-L626 HydrophobicContact CB-CB 4.45Å; R490-L626 HydrophobicContact CB-CD1 4.07Å; F557-L626 HydrophobicContact CE1-CD1 4.28Å; F557-L626 HydrophobicContact CZ-CD1 3.95Å; A561-L626 HydrophobicContact CB-CD2 3.81Å
627	P	82.9	Confident	71	Confident	56 Å²	56	93.5 Å²	93.5	36%	0.364	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-53.7	151.2	174.5	-23.8	33	0	0	0	111.9	R490 S560 A561	R490-P627 PolarHBondContact NH2-O 3.24Å; S560-P627 VanDerWaalsContact CB-O 3.22Å; S560-P627 WeakPolarHBondContact CB-O 3.25Å; S560-P627 PolarHBondContact OG-O 3.37Å; A561-P627 HydrophobicContact CB-CG 4.4Å
628	D	69.8	Low	68.6	Low	130 Å²	130	89.9 Å²	89.9	70%	0.695	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-63.1	151	170.5	-68.9	-36.7	0	0	0	110.6	S630	D628-S630 PolarHBondContact O-N 3.39Å; D628-S630 VanDerWaalsContact O-N 3.13Å
629	I	59.3	Low	66.3	Low	100 Å²	100	94 Å²	94	51%	0.513	55%	0.547	S	S	.	.	S	Bend	trans	-69.6	-10.2	-172	-60.7	166	0	0	0	111.3	P631	I629-P631 VanDerWaalsContact O-CD 3.29Å; I629-P631 WeakPolarHBondContact O-CD 2.98Å
630	S	51.3	Low	64	Low	93 Å²	93	99.7 Å²	99.7	65%	0.65	57%	0.569	S	S	*	*	S	Bend	trans	-72.3	116.3	175.7	-41.1	0	0	0	0	111.1	D628	D628-S630 PolarHBondContact O-N 3.39Å; D628-S630 VanDerWaalsContact O-N 3.13Å
631	P	50	Low	61.4	Low	21 Å²	21	101.4 Å²	101.4	14%	0.136	58%	0.58	C	S	.	*	P	Polyproline II helix	trans	-61.1	132.2	171.8	-16	28.1	0	0	0	109.2	I629 I633 F677 W689	I629-P631 VanDerWaalsContact O-CD 3.29Å; I629-P631 WeakPolarHBondContact O-CD 2.98Å; P631-I633 PolarHBondContact O-N 2.99Å; P631-F677 HydrophobicContact CB-CD1 4.02Å; P631-F677 HydrophobicContact CB-CE1 4.19Å; P631-F677 HydrophobicContact CB-CG 4.46Å; P631-F677 HydrophobicContact CG-CD1 4.15Å; P631-F677 HydrophobicContact CG-CE1 3.96Å; P631-F677 HydrophobicContact CG-CE2 4.35Å; P631-F677 HydrophobicContact CG-CG 4.43Å; P631-F677 HydrophobicContact CG-CZ 4.08Å; P631-W689 HydrophobicContact CG-CZ2 4.36Å
632	P	50.2	Low	59.1	Low	112 Å²	112	105 Å²	105	73%	0.727	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-60.7	131	170.5	24	-30.7	0	0	0	109	V634	P632-V634 PolarHBondContact O-N 2.79Å
633	I	51.1	Low	56.6	Low	94 Å²	94	108.9 Å²	108.9	48%	0.482	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-57.7	127.5	171.9	-61.4	171.1	0	0	0	107.3	P631 I635	P631-I633 PolarHBondContact O-N 2.99Å; I633-I635 PolarHBondContact O-N 2.73Å
634	V	47.8	Very low	54	Low	86 Å²	86	114.3 Å²	114.3	52%	0.521	60%	0.603	S	S	.	*			trans	-69.5	102.3	177.2	-177.6	0	0	0	0	108.1	P632 F677	P632-V634 PolarHBondContact O-N 2.79Å; V634-F677 PolarHBondContact N-O 3.19Å
635	I	44	Very low	51.7	Low	142 Å²	142	112.8 Å²	112.8	73%	0.728	60%	0.6	S	S	*	*			trans	-92.3	124.1	173.3	-52.6	175.6	0	0	0	107.8	I633	I633-I635 PolarHBondContact O-N 2.73Å
636	P	41	Very low	49.2	Very low	69 Å²	69	115.4 Å²	115.4	45%	0.448	61%	0.612	S	S	.	*			trans	-60.9	144.1	176	-20.4	31.2	0	0	0	112.1	D638 M681	P636-D638 PolarHBondContact O-N 2.98Å; P636-M681 HydrophobicContact CG-CE 4.43Å; P636-M681 HydrophobicContact CG-SD 4.29Å
637	D	39.2	Very low	46.9	Very low	170 Å²	170	122.4 Å²	122.4	91%	0.909	65%	0.648	S	S	*	*	S	Bend	trans	-74.6	15.2	-177	-144.8	7.5	0	0	0	113.9
638	D	42.2	Very low	45	Very low	131 Å²	131	124.6 Å²	124.6	70%	0.701	66%	0.656	S	S	*	*			trans	-98.5	112.6	-178	-95.3	-29.9	0	0	0	112.3	P636 K640	P636-D638 PolarHBondContact O-N 2.98Å; D638-K640 PolarHBondContact O-N 3.09Å
639	S	43.3	Very low	43.5	Very low	109 Å²	109	123.5 Å²	123.5	76%	0.762	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	18.9	-172.9	46.1	0	0	0	0	116.3
640	K	42.8	Very low	42.7	Very low	195 Å²	195	122.8 Å²	122.8	85%	0.848	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	-16.5	-179.6	-83.7	-176.7	176.3	174.7	0	116.5	D638	D638-K640 PolarHBondContact O-N 3.09Å
641	D	38.7	Very low	42.6	Very low	103 Å²	103	122.6 Å²	122.6	55%	0.551	65%	0.65	S	S	*	*			trans	-100.7	8	-177.9	-71.4	-22.3	0	0	0	114.5	L643 M644	D641-L643 PolarHBondContact O-N 3.45Å; D641-M644 PolarHBondContact O-N 3.4Å
642	R	40.3	Very low	43.1	Very low	211 Å²	211	127.3 Å²	127.3	80%	0.796	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-16.5	-179.7	-102.1	-174	169.8	-172.7	-3.1	115.5
643	L	36.5	Very low	44.2	Very low	165 Å²	165	124.1 Å²	124.1	86%	0.864	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-8.7	-177.1	-94.1	148	0	0	0	114.4	D641	D641-L643 PolarHBondContact O-N 3.45Å
644	M	37.2	Very low	45.5	Very low	161 Å²	161	122.3 Å²	122.3	79%	0.793	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-25.8	177.5	-112	-177.7	164.8	0	0	113.5	D641	D641-M644 PolarHBondContact O-N 3.4Å
645	N	42.1	Very low	47.1	Very low	94 Å²	94	121.9 Å²	121.9	50%	0.503	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-93.4	3.4	-174.4	-72.6	-17.6	0	0	0	115.5	L647 I648	N645-L647 VanDerWaalsContact C-N 3.29Å; N645-I648 HydrophobicContact CB-CD1 4.5Å
646	Q	36.5	Very low	49	Very low	172 Å²	172	118.3 Å²	118.3	80%	0.804	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-86	5.6	174.5	-80.5	-172.7	-21.1	0	0	114
647	L	38	Very low	50.9	Low	157 Å²	157	115.4 Å²	115.4	82%	0.822	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-135.3	38.4	-178.3	-73.9	159.8	0	0	0	111.9	N645 D649	N645-L647 VanDerWaalsContact C-N 3.29Å; L647-D649 PolarHBondContact O-N 3.44Å
648	I	43.1	Very low	53	Low	101 Å²	101	107.3 Å²	107.3	52%	0.518	56%	0.56	S	S	.	*			trans	-75.3	99.9	172.2	-57.5	177.1	0	0	0	107.8	N645	N645-I648 HydrophobicContact CB-CD1 4.5Å
649	D	39.2	Very low	55	Low	107 Å²	107	106.2 Å²	106.2	57%	0.572	55%	0.552	S	S	*	*			trans	-60.9	140.3	169.8	-150.8	4.2	0	0	0	108.9	L647 S651	L647-D649 PolarHBondContact O-N 3.44Å; D649-S651 PolarHBondContact O-N 2.99Å
650	P	43.3	Very low	57.1	Low	85 Å²	85	106 Å²	106	55%	0.552	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-0.2	-174.7	-23.7	35.2	0	0	0	116	M705	P650-M705 HydrophobicContact CB-CE 3.86Å; P650-M705 HydrophobicContact CG-CE 4.02Å
651	S	47.6	Very low	59	Low	89 Å²	89	96.8 Å²	96.8	62%	0.622	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-17	-171.4	-45.3	0	0	0	0	114	D649	D649-S651 PolarHBondContact O-N 2.99Å
652	D	60.7	Low	61.2	Low	120 Å²	120	93.5 Å²	93.5	64%	0.642	49%	0.486	S	S	*	.			trans	-117	52.9	-165.8	-71.9	-21.6	0	0	0	112.7	N680	D652-N680 PolarHBondContact O-ND2 3.24Å
653	I	73	Confident	63.5	Low	46 Å²	46	91.2 Å²	91.2	24%	0.236	48%	0.484	C	S	.	.			trans	-71.8	126.5	159.5	-62.4	178.4	0	0	0	106.8	E655 V658 V675	I653-E655 VanDerWaalsContact C-N 3.31Å; I653-E655 PolarHBondContact O-N 3.06Å; I653-V658 HydrophobicContact CG2-CG2 3.77Å; I653-V675 HydrophobicContact CG2-CB 4.24Å; I653-V675 HydrophobicContact CG2-CG1 3.8Å
654	D	79.5	Confident	65.7	Low	55 Å²	55	88.8 Å²	88.8	29%	0.294	47%	0.47	S	S	.	.			trans	-68.1	88.8	177.4	177.4	23	0	0	0	111.2	S656 S657 V658 V675 N680	D654-S656 VanDerWaalsContact CG-OG 3.31Å; D654-S656 PolarHBondContact O-N 2.86Å; D654-S656 VanDerWaalsContact O-N 3.1Å; D654-S656 WeakPolarHBondContact OD1-CB 3.16Å; D654-S656 PolarHBondContact OD1-N 3.49Å; D654-S656 VanDerWaalsContact OD1-N 3.13Å; D654-S656 PolarHBondContact OD1-OG 2.96Å; D654-S656 PolarHBondContact OD2-OG 3.31Å; D654-S657 PolarHBondContact O-N 3.17Å; D654-S657 VanDerWaalsContact O-N 3.1Å; D654-S657 VanDerWaalsContact OD2-CB 3.28Å; D654-S657 WeakPolarHBondContact OD2-CB 3.36Å; D654-S657 PolarHBondContact OD2-N 2.9Å; D654-S657 PolarHBondContact OD2-OG 3.1Å; D654-V658 WeakPolarHBondContact O-CG2 3.44Å; D654-V658 PolarHBondContact O-N 3.44Å; D654-V658 VanDerWaalsContact O-N 3.1Å; D654-V675 HydrophobicContact CB-CG1 4.31Å; D654-N680 PolarHBondContact N-OD1 3.23Å
655	E	81.4	Confident	67.8	Low	78 Å²	78	84.2 Å²	84.2	36%	0.364	46%	0.464	S	S	.	.	H	α-helix	trans	-58.9	-21.6	179.2	-75.2	-72.4	173.9	0	0	112.4	I653 V658 M659 R672	I653-E655 VanDerWaalsContact C-N 3.31Å; I653-E655 PolarHBondContact O-N 3.06Å; E655-V658 PolarHBondContact O-N 3.12Å; E655-M659 WeakPolarHBondContact O-CB 3.48Å; E655-M659 VanDerWaalsContact O-CG 3.27Å; E655-M659 WeakPolarHBondContact O-CG 3.41Å; E655-M659 PolarHBondContact O-N 2.69Å; E655-R672 IonicContact OE1-CZ 3.19Å; E655-R672 IonicContact OE1-NE 3.31Å; E655-R672 PolarHBondContact OE1-NE 3.28Å; E655-R672 VanDerWaalsContact OE1-NE 3.13Å; E655-R672 IonicContact OE1-NH2 3.25Å; E655-R672 PolarHBondContact OE1-NH2 3.43Å; E655-R672 IonicContact OE2-NH2 2.7Å
656	S	83.5	Confident	69.8	Low	67 Å²	67	81.8 Å²	81.8	47%	0.469	45%	0.449	S	S	.	.	H	α-helix	trans	-70.4	-42.2	175.7	79.2	0	0	0	0	112.1	D654 Q660	D654-S656 VanDerWaalsContact CG-OG 3.31Å; D654-S656 PolarHBondContact O-N 2.86Å; D654-S656 VanDerWaalsContact O-N 3.1Å; D654-S656 WeakPolarHBondContact OD1-CB 3.16Å; D654-S656 PolarHBondContact OD1-N 3.49Å; D654-S656 VanDerWaalsContact OD1-N 3.13Å; D654-S656 PolarHBondContact OD1-OG 2.96Å; D654-S656 PolarHBondContact OD2-OG 3.31Å; S656-Q660 WeakPolarHBondContact O-CG 3.24Å; S656-Q660 PolarHBondContact O-N 3.11Å; S656-Q660 VanDerWaalsContact O-N 3.12Å
657	S	81.9	Confident	72.1	Confident	7 Å²	7	76.4 Å²	76.4	5%	0.049	43%	0.429	C	S	.	.	H	α-helix	trans	-67.7	-38.1	172.3	-68.9	0	0	0	0	111.5	D654 Q660 L661 A683	D654-S657 PolarHBondContact O-N 3.17Å; D654-S657 VanDerWaalsContact O-N 3.1Å; D654-S657 VanDerWaalsContact OD2-CB 3.28Å; D654-S657 WeakPolarHBondContact OD2-CB 3.36Å; D654-S657 PolarHBondContact OD2-N 2.9Å; D654-S657 PolarHBondContact OD2-OG 3.1Å; S657-Q660 PolarHBondContact O-N 2.71Å; S657-L661 VanDerWaalsContact O-CG 3.29Å; S657-L661 WeakPolarHBondContact O-CG 3.46Å; S657-L661 PolarHBondContact O-N 2.91Å; S657-L661 VanDerWaalsContact O-N 3.15Å; S657-A683 PolarHBondContact OG-N 3.24Å
658	V	83.3	Confident	74.3	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-61.4	-46.9	174.9	174.2	0	0	0	0	111.3	I653 D654 E655 L661 A662 L668 C671 R672 V675	I653-V658 HydrophobicContact CG2-CG2 3.77Å; D654-V658 WeakPolarHBondContact O-CG2 3.44Å; D654-V658 PolarHBondContact O-N 3.44Å; D654-V658 VanDerWaalsContact O-N 3.1Å; E655-V658 PolarHBondContact O-N 3.12Å; V658-L661 PolarHBondContact O-N 2.7Å; V658-A662 WeakPolarHBondContact O-CB 3.26Å; V658-A662 PolarHBondContact O-N 3.45Å; V658-L668 HydrophobicContact CG1-CD1 3.68Å; V658-L668 HydrophobicContact CG1-CG 4.39Å; V658-C671 HydrophobicContact CB-CB 4.44Å; V658-C671 HydrophobicContact CG1-CB 3.85Å; V658-R672 HydrophobicContact CG1-CG 3.75Å; V658-R672 HydrophobicContact CG2-CG 3.99Å; V658-V675 HydrophobicContact CG2-CB 4.1Å; V658-V675 HydrophobicContact CG2-CG1 4.4Å; V658-V675 HydrophobicContact CG2-CG2 3.82Å
659	M	83.4	Confident	76.2	Confident	108 Å²	108	70.1 Å²	70.1	53%	0.532	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-40.4	178.9	-77.6	-178.4	61.7	0	0	112.3	E655 L661 A662 E663	E655-M659 WeakPolarHBondContact O-CB 3.48Å; E655-M659 VanDerWaalsContact O-CG 3.27Å; E655-M659 WeakPolarHBondContact O-CG 3.41Å; E655-M659 PolarHBondContact O-N 2.69Å; M659-L661 VanDerWaalsContact C-N 3.33Å; M659-L661 PolarHBondContact O-N 3.27Å; M659-A662 PolarHBondContact O-N 2.94Å; M659-E663 WeakPolarHBondContact O-CG 3.5Å; M659-E663 PolarHBondContact O-N 3.44Å
660	Q	86.4	Confident	78.2	Confident	106 Å²	106	65 Å²	65	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-43.5	175.6	-75.3	176.5	11.9	0	0	111.9	S656 S657 E663 M664 A683	S656-Q660 WeakPolarHBondContact O-CG 3.24Å; S656-Q660 PolarHBondContact O-N 3.11Å; S656-Q660 VanDerWaalsContact O-N 3.12Å; S657-Q660 PolarHBondContact O-N 2.71Å; Q660-E663 PolarHBondContact O-N 3.07Å; Q660-M664 WeakPolarHBondContact O-CG 3.15Å; Q660-M664 PolarHBondContact O-N 3.08Å; Q660-A683 HydrophobicContact CB-CB 4.4Å
661	L	84.4	Confident	80.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-69.1	-36.9	177.2	-65	167.3	0	0	0	111.7	S657 V658 M659 M664 F666 C671 V675 A683 A686 F687 I690	S657-L661 VanDerWaalsContact O-CG 3.29Å; S657-L661 WeakPolarHBondContact O-CG 3.46Å; S657-L661 PolarHBondContact O-N 2.91Å; S657-L661 VanDerWaalsContact O-N 3.15Å; V658-L661 PolarHBondContact O-N 2.7Å; M659-L661 VanDerWaalsContact C-N 3.33Å; M659-L661 PolarHBondContact O-N 3.27Å; L661-M664 HydrophobicContact CD2-SD 4.31Å; L661-M664 WeakPolarHBondContact O-CB 3.2Å; L661-M664 PolarHBondContact O-N 3.43Å; L661-F666 VanDerWaalsContact O-CD2 3.31Å; L661-F666 WeakPolarHBondContact O-CD2 3.33Å; L661-F666 PolarHBondContact O-N 3.05Å; L661-C671 HydrophobicContact CB-CB 3.95Å; L661-C671 WeakPolarHBondContact CB-SG 3.34Å; L661-C671 HydrophobicContact CD1-CB 4.39Å; L661-V675 HydrophobicContact CD1-CG2 4.16Å; L661-A683 HydrophobicContact CG-CB 4.47Å; L661-A686 HydrophobicContact CD1-CB 3.6Å; L661-F687 HydrophobicContact CD2-CB 3.74Å; L661-F687 HydrophobicContact CD2-CD2 4.14Å; L661-F687 HydrophobicContact CD2-CG 4.45Å; L661-I690 HydrophobicContact CB-CD1 4.25Å; L661-I690 HydrophobicContact CD1-CD1 3.91Å; L661-I690 HydrophobicContact CD2-CD1 4.18Å; L661-I690 HydrophobicContact CG-CD1 4.34Å
662	A	84.8	Confident	81.8	Confident	33 Å²	33	59.9 Å²	59.9	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-65.8	-37.6	174.9	0	0	0	0	0	112.3	V658 M659 M664 G665 L668	V658-A662 WeakPolarHBondContact O-CB 3.26Å; V658-A662 PolarHBondContact O-N 3.45Å; M659-A662 PolarHBondContact O-N 2.94Å; A662-M664 PolarHBondContact O-N 3.28Å; A662-G665 WeakPolarHBondContact O-CA 3.23Å; A662-G665 PolarHBondContact O-N 3.38Å; A662-L668 HydrophobicContact CB-CD1 3.92Å
663	E	87.1	Confident	82.9	Confident	163 Å²	163	55.3 Å²	55.3	76%	0.762	30%	0.298	S	S	*	.	H	α-helix	trans	-64	-27.8	173.8	-77.1	-177.4	178.6	0	0	112.6	M659 Q660 G665	M659-E663 WeakPolarHBondContact O-CG 3.5Å; M659-E663 PolarHBondContact O-N 3.44Å; Q660-E663 PolarHBondContact O-N 3.07Å; E663-G665 PolarHBondContact O-N 3.09Å
664	M	83.3	Confident	83.2	Confident	114 Å²	114	53.1 Å²	53.1	56%	0.562	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-6	171.9	-63.9	174	71.8	0	0	113.3	Q660 L661 A662 F666 F687	Q660-M664 WeakPolarHBondContact O-CG 3.15Å; Q660-M664 PolarHBondContact O-N 3.08Å; L661-M664 HydrophobicContact CD2-SD 4.31Å; L661-M664 WeakPolarHBondContact O-CB 3.2Å; L661-M664 PolarHBondContact O-N 3.43Å; A662-M664 PolarHBondContact O-N 3.28Å; M664-F666 HydrophobicContact CB-CD2 4.04Å; M664-F666 HydrophobicContact CB-CE2 3.96Å; M664-F666 HydrophobicContact CE-CE2 4.43Å; M664-F687 HydrophobicContact CE-CD2 3.63Å; M664-F687 HydrophobicContact CE-CE2 3.3Å; M664-F687 HydrophobicContact CE-CZ 4Å; M664-F687 HydrophobicContact SD-CD2 4.22Å; M664-F687 HydrophobicContact SD-CE2 4.43Å
665	G	80.8	Confident	83.4	Confident	65 Å²	65	50.6 Å²	50.6	67%	0.67	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	8.5	174.9	0	0	0	0	0	115.1	A662 E663	A662-G665 WeakPolarHBondContact O-CA 3.23Å; A662-G665 PolarHBondContact O-N 3.38Å; E663-G665 PolarHBondContact O-N 3.09Å
666	F	84.6	Confident	83.4	Confident	44 Å²	44	50 Å²	50	19%	0.193	27%	0.268	C	S	.	.			trans	-81.6	149.1	176.3	-60.5	-66.7	0	0	0	112.2	L661 M664 L668 C671 F687 I690 M694	L661-F666 VanDerWaalsContact O-CD2 3.31Å; L661-F666 WeakPolarHBondContact O-CD2 3.33Å; L661-F666 PolarHBondContact O-N 3.05Å; M664-F666 HydrophobicContact CB-CD2 4.04Å; M664-F666 HydrophobicContact CB-CE2 3.96Å; M664-F666 HydrophobicContact CE-CE2 4.43Å; F666-L668 PolarHBondContact O-N 3.35Å; F666-C671 VanDerWaalsContact CB-SG 3.56Å; F666-F687 AromaticContact CE2-CD2 3.64Å; F666-F687 HydrophobicContact CE2-CD2 3.64Å; F666-F687 AromaticContact CE2-CE2 3.52Å; F666-F687 HydrophobicContact CE2-CE2 3.52Å; F666-F687 HydrophobicContact CZ-CD2 4.06Å; F666-F687 AromaticContact CZ-CE2 3.62Å; F666-F687 HydrophobicContact CZ-CE2 3.62Å; F666-I690 HydrophobicContact CB-CD1 4.41Å; F666-I690 HydrophobicContact CD1-CG2 3.58Å; F666-I690 HydrophobicContact CD2-CD1 4.25Å; F666-I690 HydrophobicContact CD2-CG2 4.29Å; F666-I690 HydrophobicContact CE1-CG2 3.55Å; F666-I690 HydrophobicContact CE2-CG2 4.3Å; F666-I690 HydrophobicContact CG-CD1 4.29Å; F666-I690 HydrophobicContact CG-CG2 3.97Å; F666-I690 HydrophobicContact CZ-CG2 3.94Å; F666-M694 HydrophobicContact CE1-CE 4.24Å
667	P	85.6	Confident	83.1	Confident	58 Å²	58	48.4 Å²	48.4	38%	0.377	25%	0.253	S	S	.	.			trans	-59	134.8	175.5	-21.5	32.5	0	0	0	111.9	E669 A670 C671 F699 A700	P667-E669 VanDerWaalsContact C-N 3.33Å; P667-E669 PolarHBondContact O-N 3.4Å; P667-A670 HydrophobicContact CB-CB 4.08Å; P667-A670 HydrophobicContact CG-CB 4.44Å; P667-A670 WeakPolarHBondContact O-CA 3.36Å; P667-A670 VanDerWaalsContact O-CB 3.3Å; P667-A670 WeakPolarHBondContact O-CB 3.28Å; P667-A670 PolarHBondContact O-N 2.84Å; P667-C671 PolarHBondContact O-N 2.93Å; P667-C671 PolarHBondContact O-SG 2.89Å; P667-F699 HydrophobicContact CG-CE1 4.38Å; P667-A700 HydrophobicContact CB-CB 4.01Å; P667-A700 HydrophobicContact CG-CB 4.16Å
668	L	83.4	Confident	83	Confident	74 Å²	74	48.3 Å²	48.3	39%	0.387	25%	0.252	S	S	.	.	H	α-helix	trans	-56.8	-42.6	-173.5	-171.2	72.3	0	0	0	113.3	V658 A662 F666 A670 C671 R672	V658-L668 HydrophobicContact CG1-CD1 3.68Å; V658-L668 HydrophobicContact CG1-CG 4.39Å; A662-L668 HydrophobicContact CB-CD1 3.92Å; F666-L668 PolarHBondContact O-N 3.35Å; L668-A670 VanDerWaalsContact C-N 3.32Å; L668-A670 PolarHBondContact O-N 2.78Å; L668-C671 WeakPolarHBondContact O-CB 3.25Å; L668-C671 PolarHBondContact O-N 2.9Å; L668-R672 WeakPolarHBondContact O-CG 3.45Å; L668-R672 PolarHBondContact O-N 3.47Å
669	E	83.2	Confident	82.7	Confident	53 Å²	53	49.9 Å²	49.9	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-33.2	179.1	-63.3	-53.3	133.6	0	0	112.2	P667 R672 K673	P667-E669 VanDerWaalsContact C-N 3.33Å; P667-E669 PolarHBondContact O-N 3.4Å; E669-R672 PolarHBondContact O-N 3.35Å; E669-R672 IonicContact OE1-CZ 3.57Å; E669-R672 IonicContact OE1-NH1 2.91Å; E669-R672 PolarHBondContact OE1-NH1 2.72Å; E669-K673 WeakPolarHBondContact O-CG 3.14Å; E669-K673 PolarHBondContact O-N 3.35Å
670	A	80.8	Confident	82.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-38.9	173.5	0	0	0	0	0	111.8	P667 L668 K673 A674 F699	P667-A670 HydrophobicContact CB-CB 4.08Å; P667-A670 HydrophobicContact CG-CB 4.44Å; P667-A670 WeakPolarHBondContact O-CA 3.36Å; P667-A670 VanDerWaalsContact O-CB 3.3Å; P667-A670 WeakPolarHBondContact O-CB 3.28Å; P667-A670 PolarHBondContact O-N 2.84Å; L668-A670 VanDerWaalsContact C-N 3.32Å; L668-A670 PolarHBondContact O-N 2.78Å; A670-K673 PolarHBondContact O-N 3.14Å; A670-A674 WeakPolarHBondContact O-CB 3.4Å; A670-A674 PolarHBondContact O-N 2.72Å; A670-F699 WeakPolarHBondContact CA-O 3.42Å; A670-F699 HydrophobicContact CB-CD1 3.75Å; A670-F699 HydrophobicContact CB-CD2 3.99Å; A670-F699 HydrophobicContact CB-CE1 3.41Å; A670-F699 VanDerWaalsContact CB-CE1 3.41Å; A670-F699 HydrophobicContact CB-CE2 3.68Å; A670-F699 HydrophobicContact CB-CG 4.01Å; A670-F699 HydrophobicContact CB-CZ 3.36Å; A670-F699 WeakPolarHBondContact CB-O 3.03Å
671	C	83.6	Confident	82	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-42	173	-59.6	0	0	0	0	111.7	V658 L661 F666 P667 L668 A674 V675	V658-C671 HydrophobicContact CB-CB 4.44Å; V658-C671 HydrophobicContact CG1-CB 3.85Å; L661-C671 HydrophobicContact CB-CB 3.95Å; L661-C671 WeakPolarHBondContact CB-SG 3.34Å; L661-C671 HydrophobicContact CD1-CB 4.39Å; F666-C671 VanDerWaalsContact CB-SG 3.56Å; P667-C671 PolarHBondContact O-N 2.93Å; P667-C671 PolarHBondContact O-SG 2.89Å; L668-C671 WeakPolarHBondContact O-CB 3.25Å; L668-C671 PolarHBondContact O-N 2.9Å; C671-A674 PolarHBondContact O-N 2.88Å; C671-V675 WeakPolarHBondContact O-CB 3.41Å; C671-V675 VanDerWaalsContact O-CG2 3.31Å; C671-V675 WeakPolarHBondContact O-CG2 3.3Å; C671-V675 PolarHBondContact O-N 2.9Å
672	R	83.8	Confident	81.7	Confident	65 Å²	65	48.1 Å²	48.1	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-44.5	174.1	-72.7	178.6	168.3	144.1	0.2	112	E655 V658 L668 E669 A674 V675 Y676	E655-R672 IonicContact OE1-CZ 3.19Å; E655-R672 IonicContact OE1-NE 3.31Å; E655-R672 PolarHBondContact OE1-NE 3.28Å; E655-R672 VanDerWaalsContact OE1-NE 3.13Å; E655-R672 IonicContact OE1-NH2 3.25Å; E655-R672 PolarHBondContact OE1-NH2 3.43Å; E655-R672 IonicContact OE2-NH2 2.7Å; V658-R672 HydrophobicContact CG1-CG 3.75Å; V658-R672 HydrophobicContact CG2-CG 3.99Å; L668-R672 WeakPolarHBondContact O-CG 3.45Å; L668-R672 PolarHBondContact O-N 3.47Å; E669-R672 PolarHBondContact O-N 3.35Å; E669-R672 IonicContact OE1-CZ 3.57Å; E669-R672 IonicContact OE1-NH1 2.91Å; E669-R672 PolarHBondContact OE1-NH1 2.72Å; R672-A674 PolarHBondContact O-N 2.83Å; R672-V675 PolarHBondContact O-N 2.8Å; R672-Y676 VanDerWaalsContact O-CB 3.3Å; R672-Y676 WeakPolarHBondContact O-CB 3.45Å; R672-Y676 PolarHBondContact O-N 2.69Å
673	K	82.4	Confident	81.4	Confident	24 Å²	24	47.3 Å²	47.3	10%	0.104	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-47.3	173.8	-74.8	-178.7	163.8	175.5	0	111.7	E669 A670 V675 Y676 F677 W689 D698 E701 L703	E669-K673 WeakPolarHBondContact O-CG 3.14Å; E669-K673 PolarHBondContact O-N 3.35Å; A670-K673 PolarHBondContact O-N 3.14Å; K673-V675 PolarHBondContact O-N 2.8Å; K673-Y676 PolarHBondContact O-N 2.81Å; K673-F677 HydrophobicContact CB-CD2 4.35Å; K673-F677 HydrophobicContact CB-CE2 4.45Å; K673-F677 WeakPolarHBondContact O-CD2 3.31Å; K673-F677 PolarHBondContact O-N 3.33Å; K673-W689 HydrophobicContact CB-CH2 4.17Å; K673-W689 HydrophobicContact CB-CZ3 4.26Å; K673-D698 PolarHBondContact NZ-O 3.43Å; K673-E701 WeakPolarHBondContact CD-O 3.48Å; K673-E701 WeakPolarHBondContact CE-O 3.44Å; K673-E701 PolarHBondContact NZ-O 3.47Å; K673-L703 HydrophobicContact CB-CD1 4.22Å; K673-L703 HydrophobicContact CG-CB 3.93Å; K673-L703 HydrophobicContact CG-CD1 3.78Å; K673-L703 HydrophobicContact CG-CG 4.24Å
674	A	80.3	Confident	81.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-45.8	-180	0	0	0	0	0	112.7	A670 C671 R672 Y676 T678 A686 W689 I690	A670-A674 WeakPolarHBondContact O-CB 3.4Å; A670-A674 PolarHBondContact O-N 2.72Å; C671-A674 PolarHBondContact O-N 2.88Å; R672-A674 PolarHBondContact O-N 2.83Å; A674-Y676 VanDerWaalsContact C-N 3.32Å; A674-Y676 PolarHBondContact O-N 3.14Å; A674-T678 VanDerWaalsContact O-CB 3.31Å; A674-T678 WeakPolarHBondContact O-CB 3.44Å; A674-T678 WeakPolarHBondContact O-CG2 3.46Å; A674-T678 PolarHBondContact O-N 2.75Å; A674-T678 PolarHBondContact O-OG1 3.22Å; A674-A686 HydrophobicContact CB-CB 3.98Å; A674-W689 HydrophobicContact CB-CB 4.48Å; A674-W689 HydrophobicContact CB-CD2 4.12Å; A674-W689 HydrophobicContact CB-CE3 3.4Å; A674-W689 HydrophobicContact CB-CZ3 3.98Å; A674-I690 HydrophobicContact CB-CD1 3.92Å; A674-I690 HydrophobicContact CB-CG1 3.51Å
675	V	82.9	Confident	81.1	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-37	178.1	171.6	0	0	0	0	111.1	I653 D654 V658 L661 C671 R672 K673 T678 G679 N680 A686	I653-V675 HydrophobicContact CG2-CB 4.24Å; I653-V675 HydrophobicContact CG2-CG1 3.8Å; D654-V675 HydrophobicContact CB-CG1 4.31Å; V658-V675 HydrophobicContact CG2-CB 4.1Å; V658-V675 HydrophobicContact CG2-CG1 4.4Å; V658-V675 HydrophobicContact CG2-CG2 3.82Å; L661-V675 HydrophobicContact CD1-CG2 4.16Å; C671-V675 WeakPolarHBondContact O-CB 3.41Å; C671-V675 VanDerWaalsContact O-CG2 3.31Å; C671-V675 WeakPolarHBondContact O-CG2 3.3Å; C671-V675 PolarHBondContact O-N 2.9Å; R672-V675 PolarHBondContact O-N 2.8Å; K673-V675 PolarHBondContact O-N 2.8Å; V675-T678 PolarHBondContact O-OG1 2.76Å; V675-G679 PolarHBondContact O-N 2.87Å; V675-N680 WeakPolarHBondContact CG1-OD1 3.47Å; V675-N680 PolarHBondContact O-N 3.35Å; V675-A686 HydrophobicContact CG2-CB 3.8Å
676	Y	82.6	Confident	81.1	Confident	65 Å²	65	41.6 Å²	41.6	26%	0.255	22%	0.22	S	C	.	.	H	α-helix	trans	-66.6	-53.5	175.5	179.5	-93.5	0	0	0	113.1	R672 K673 A674 T678 G679 L703 M705	R672-Y676 VanDerWaalsContact O-CB 3.3Å; R672-Y676 WeakPolarHBondContact O-CB 3.45Å; R672-Y676 PolarHBondContact O-N 2.69Å; K673-Y676 PolarHBondContact O-N 2.81Å; A674-Y676 VanDerWaalsContact C-N 3.32Å; A674-Y676 PolarHBondContact O-N 3.14Å; Y676-T678 PolarHBondContact O-N 3.26Å; Y676-G679 PolarHBondContact O-N 3.25Å; Y676-L703 HydrophobicContact CD1-CD1 3.46Å; Y676-L703 VanDerWaalsContact CD1-CD1 3.46Å; Y676-L703 HydrophobicContact CD1-CD2 4.3Å; Y676-L703 HydrophobicContact CD1-CG 4.49Å; Y676-L703 HydrophobicContact CD2-CD1 4.39Å; Y676-L703 HydrophobicContact CD2-CD2 4.48Å; Y676-L703 HydrophobicContact CE1-CD1 4.17Å; Y676-L703 HydrophobicContact CE1-CD2 4.3Å; Y676-L703 HydrophobicContact CG-CD1 3.57Å; Y676-L703 HydrophobicContact CG-CD2 4.35Å; Y676-M705 HydrophobicContact CD2-SD 4.25Å; Y676-M705 HydrophobicContact CE1-SD 4.49Å; Y676-M705 HydrophobicContact CE2-CE 3.52Å; Y676-M705 HydrophobicContact CE2-SD 3.48Å; Y676-M705 WeakPolarHBondContact CE2-SD 3.25Å; Y676-M705 VanDerWaalsContact CZ-SD 3.6Å
677	F	77.2	Confident	81	Confident	35 Å²	35	42.4 Å²	42.4	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-70.1	-20.9	-177.4	-75.6	-66.8	0	0	0	113.5	P631 V634 K673 W689 L703	P631-F677 HydrophobicContact CB-CD1 4.02Å; P631-F677 HydrophobicContact CB-CE1 4.19Å; P631-F677 HydrophobicContact CB-CG 4.46Å; P631-F677 HydrophobicContact CG-CD1 4.15Å; P631-F677 HydrophobicContact CG-CE1 3.96Å; P631-F677 HydrophobicContact CG-CE2 4.35Å; P631-F677 HydrophobicContact CG-CG 4.43Å; P631-F677 HydrophobicContact CG-CZ 4.08Å; V634-F677 PolarHBondContact N-O 3.19Å; K673-F677 HydrophobicContact CB-CD2 4.35Å; K673-F677 HydrophobicContact CB-CE2 4.45Å; K673-F677 WeakPolarHBondContact O-CD2 3.31Å; K673-F677 PolarHBondContact O-N 3.33Å; F677-W689 HydrophobicContact CB-CZ2 3.99Å; F677-W689 AromaticContact CD2-CH2 3.94Å; F677-W689 HydrophobicContact CD2-CH2 3.94Å; F677-W689 AromaticContact CD2-CZ2 3.51Å; F677-W689 HydrophobicContact CD2-CZ2 3.51Å; F677-W689 HydrophobicContact CE2-CZ2 4.29Å; F677-W689 AromaticContact CG-CZ2 3.97Å; F677-W689 HydrophobicContact CG-CZ2 3.97Å; F677-L703 HydrophobicContact CE2-CD1 4.13Å
678	T	79.4	Confident	80.8	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.025	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.7	171.2	59.9	0	0	0	0	113.5	A674 V675 Y676 N680 M681 V685 W689	A674-T678 VanDerWaalsContact O-CB 3.31Å; A674-T678 WeakPolarHBondContact O-CB 3.44Å; A674-T678 WeakPolarHBondContact O-CG2 3.46Å; A674-T678 PolarHBondContact O-N 2.75Å; A674-T678 PolarHBondContact O-OG1 3.22Å; V675-T678 PolarHBondContact O-OG1 2.76Å; Y676-T678 PolarHBondContact O-N 3.26Å; T678-N680 PolarHBondContact O-N 3.44Å; T678-M681 WeakPolarHBondContact O-CB 3.28Å; T678-M681 WeakPolarHBondContact O-CG 3.41Å; T678-M681 PolarHBondContact O-N 3.05Å; T678-V685 HydrophobicContact CG2-CG1 3.91Å; T678-W689 HydrophobicContact CG2-CB 3.64Å; T678-W689 HydrophobicContact CG2-CG 3.94Å
679	G	77.1	Confident	80.8	Confident	34 Å²	34	42 Å²	42	35%	0.351	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	38.6	175.6	0	0	0	0	0	114.3	V675 Y676 M681	V675-G679 PolarHBondContact O-N 2.87Å; Y676-G679 PolarHBondContact O-N 3.25Å; G679-M681 VanDerWaalsContact C-N 3.27Å; G679-M681 PolarHBondContact O-N 3.37Å
680	N	79.3	Confident	80.7	Confident	55 Å²	55	39.4 Å²	39.4	29%	0.294	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	30.1	-179	-62.4	-38	0	0	0	115	D652 D654 V675 T678 G682	D652-N680 PolarHBondContact O-ND2 3.24Å; D654-N680 PolarHBondContact N-OD1 3.23Å; V675-N680 WeakPolarHBondContact CG1-OD1 3.47Å; V675-N680 PolarHBondContact O-N 3.35Å; T678-N680 PolarHBondContact O-N 3.44Å; N680-G682 PolarHBondContact O-N 2.93Å
681	M	75.6	Confident	80.7	Confident	99 Å²	99	43.2 Å²	43.2	49%	0.488	23%	0.225	S	C	.	.			trans	-75.3	14.6	-179.9	-68.8	-179.1	71.9	0	0	114.9	P636 T678 G679 V685	P636-M681 HydrophobicContact CG-CE 4.43Å; P636-M681 HydrophobicContact CG-SD 4.29Å; T678-M681 WeakPolarHBondContact O-CB 3.28Å; T678-M681 WeakPolarHBondContact O-CG 3.41Å; T678-M681 PolarHBondContact O-N 3.05Å; G679-M681 VanDerWaalsContact C-N 3.27Å; G679-M681 PolarHBondContact O-N 3.37Å; M681-V685 HydrophobicContact CB-CB 4.23Å; M681-V685 HydrophobicContact CB-CG1 4.35Å; M681-V685 HydrophobicContact CB-CG2 4.17Å
682	G	77.9	Confident	80.3	Confident	24 Å²	24	47.4 Å²	47.4	25%	0.247	25%	0.25	C	C	.	.			trans	95.6	163.4	177.3	0	0	0	0	0	115.1	N680 E684 V685 A686	N680-G682 PolarHBondContact O-N 2.93Å; G682-E684 VanDerWaalsContact C-N 3.31Å; G682-E684 PolarHBondContact O-N 3.44Å; G682-V685 PolarHBondContact O-N 3.42Å; G682-A686 PolarHBondContact O-N 3.32Å
683	A	79.4	Confident	79.9	Confident	16 Å²	16	44.9 Å²	44.9	13%	0.132	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-32.8	-173.1	0	0	0	0	0	114.7	S657 Q660 L661 F687	S657-A683 PolarHBondContact OG-N 3.24Å; Q660-A683 HydrophobicContact CB-CB 4.4Å; L661-A683 HydrophobicContact CG-CB 4.47Å; A683-F687 VanDerWaalsContact O-CB 3.27Å; A683-F687 WeakPolarHBondContact O-CB 3.38Å; A683-F687 PolarHBondContact O-N 2.92Å
684	E	80.8	Confident	79.7	Confident	164 Å²	164	47.8 Å²	47.8	77%	0.766	26%	0.256	S	S	*	.	H	α-helix	trans	-69.1	-38.9	-179.4	-65.3	-174.7	175	0	0	113	G682 F687 N688	G682-E684 VanDerWaalsContact C-N 3.31Å; G682-E684 PolarHBondContact O-N 3.44Å; E684-F687 PolarHBondContact O-N 2.96Å; E684-N688 PolarHBondContact O-N 2.88Å; E684-N688 PolarHBondContact O-ND2 3.45Å
685	V	81.6	Confident	79.2	Confident	58 Å²	58	54.6 Å²	54.6	35%	0.352	29%	0.288	S	S	.	.	H	α-helix	trans	-72.6	-41.2	178.5	-175.1	0	0	0	0	109.9	T678 M681 G682 F687 N688 W689	T678-V685 HydrophobicContact CG2-CG1 3.91Å; M681-V685 HydrophobicContact CB-CB 4.23Å; M681-V685 HydrophobicContact CB-CG1 4.35Å; M681-V685 HydrophobicContact CB-CG2 4.17Å; G682-V685 PolarHBondContact O-N 3.42Å; V685-F687 VanDerWaalsContact C-N 3.34Å; V685-F687 PolarHBondContact O-N 3.48Å; V685-N688 PolarHBondContact O-N 2.96Å; V685-W689 PolarHBondContact O-N 3.25Å
686	A	82.3	Confident	78.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-35.5	173.1	0	0	0	0	0	112.5	L661 A674 V675 G682 W689 I690	L661-A686 HydrophobicContact CD1-CB 3.6Å; A674-A686 HydrophobicContact CB-CB 3.98Å; V675-A686 HydrophobicContact CG2-CB 3.8Å; G682-A686 PolarHBondContact O-N 3.32Å; A686-W689 WeakPolarHBondContact O-CB 3.32Å; A686-W689 PolarHBondContact O-N 3.46Å; A686-I690 WeakPolarHBondContact O-CG1 3.38Å; A686-I690 PolarHBondContact O-N 3.46Å
687	F	82	Confident	78	Confident	60 Å²	60	56.9 Å²	56.9	26%	0.263	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-44.4	172.7	178.6	-103.7	0	0	0	112.2	L661 M664 F666 A683 E684 V685 W689 I690 I691	L661-F687 HydrophobicContact CD2-CB 3.74Å; L661-F687 HydrophobicContact CD2-CD2 4.14Å; L661-F687 HydrophobicContact CD2-CG 4.45Å; M664-F687 HydrophobicContact CE-CD2 3.63Å; M664-F687 HydrophobicContact CE-CE2 3.3Å; M664-F687 HydrophobicContact CE-CZ 4Å; M664-F687 HydrophobicContact SD-CD2 4.22Å; M664-F687 HydrophobicContact SD-CE2 4.43Å; F666-F687 AromaticContact CE2-CD2 3.64Å; F666-F687 HydrophobicContact CE2-CD2 3.64Å; F666-F687 AromaticContact CE2-CE2 3.52Å; F666-F687 HydrophobicContact CE2-CE2 3.52Å; F666-F687 HydrophobicContact CZ-CD2 4.06Å; F666-F687 AromaticContact CZ-CE2 3.62Å; F666-F687 HydrophobicContact CZ-CE2 3.62Å; A683-F687 VanDerWaalsContact O-CB 3.27Å; A683-F687 WeakPolarHBondContact O-CB 3.38Å; A683-F687 PolarHBondContact O-N 2.92Å; E684-F687 PolarHBondContact O-N 2.96Å; V685-F687 VanDerWaalsContact C-N 3.34Å; V685-F687 PolarHBondContact O-N 3.48Å; F687-W689 VanDerWaalsContact C-N 3.31Å; F687-W689 PolarHBondContact O-N 2.67Å; F687-I690 WeakPolarHBondContact O-CB 3.35Å; F687-I690 PolarHBondContact O-N 2.82Å; F687-I691 HydrophobicContact CD1-CD1 3.7Å; F687-I691 HydrophobicContact CE1-CD1 3.18Å; F687-I691 HydrophobicContact CE1-CG1 4.23Å; F687-I691 HydrophobicContact CE2-CD1 4.26Å; F687-I691 HydrophobicContact CG-CD1 4.44Å; F687-I691 HydrophobicContact CZ-CD1 3.51Å; F687-I691 HydrophobicContact CZ-CG1 4.24Å; F687-I691 WeakPolarHBondContact O-CG1 3.17Å; F687-I691 PolarHBondContact O-N 2.98Å
688	N	82.1	Confident	77.6	Confident	100 Å²	100	58.8 Å²	58.8	54%	0.535	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-37.9	175.5	-71.7	-36.7	0	0	0	111.8	E684 V685 I691 V692	E684-N688 PolarHBondContact O-N 2.88Å; E684-N688 PolarHBondContact O-ND2 3.45Å; V685-N688 PolarHBondContact O-N 2.96Å; N688-I691 PolarHBondContact O-N 3.37Å; N688-V692 WeakPolarHBondContact O-CG2 3.42Å; N688-V692 PolarHBondContact O-N 2.82Å
689	W	82.1	Confident	77.2	Confident	23 Å²	23	59.3 Å²	59.3	9%	0.087	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-45.7	173.6	-170.8	96.7	0	0	0	111.4	P631 K673 A674 F677 T678 V685 A686 F687 I691 V692 H693 F699	P631-W689 HydrophobicContact CG-CZ2 4.36Å; K673-W689 HydrophobicContact CB-CH2 4.17Å; K673-W689 HydrophobicContact CB-CZ3 4.26Å; A674-W689 HydrophobicContact CB-CB 4.48Å; A674-W689 HydrophobicContact CB-CD2 4.12Å; A674-W689 HydrophobicContact CB-CE3 3.4Å; A674-W689 HydrophobicContact CB-CZ3 3.98Å; F677-W689 HydrophobicContact CB-CZ2 3.99Å; F677-W689 AromaticContact CD2-CH2 3.94Å; F677-W689 HydrophobicContact CD2-CH2 3.94Å; F677-W689 AromaticContact CD2-CZ2 3.51Å; F677-W689 HydrophobicContact CD2-CZ2 3.51Å; F677-W689 HydrophobicContact CE2-CZ2 4.29Å; F677-W689 AromaticContact CG-CZ2 3.97Å; F677-W689 HydrophobicContact CG-CZ2 3.97Å; T678-W689 HydrophobicContact CG2-CB 3.64Å; T678-W689 HydrophobicContact CG2-CG 3.94Å; V685-W689 PolarHBondContact O-N 3.25Å; A686-W689 WeakPolarHBondContact O-CB 3.32Å; A686-W689 PolarHBondContact O-N 3.46Å; F687-W689 VanDerWaalsContact C-N 3.31Å; F687-W689 PolarHBondContact O-N 2.67Å; W689-I691 VanDerWaalsContact C-N 3.31Å; W689-I691 PolarHBondContact O-N 2.68Å; W689-V692 PolarHBondContact O-N 3.01Å; W689-V692 VanDerWaalsContact O-N 3.14Å; W689-H693 AromaticContact CD1-CE1 3.63Å; W689-H693 AromaticContact CD1-ND1 3.84Å; W689-H693 HydrophobicContact CD2-CB 4.32Å; W689-H693 AromaticContact CD2-CG 3.93Å; W689-H693 AromaticContact CD2-ND1 3.59Å; W689-H693 AromaticContact CE2-CD2 3.81Å; W689-H693 AromaticContact CE2-CE1 3.67Å; W689-H693 AromaticContact CE2-CG 3.67Å; W689-H693 AromaticContact CE2-ND1 3.54Å; W689-H693 AromaticContact CE2-NE2 3.83Å; W689-H693 HydrophobicContact CE3-CB 4.02Å; W689-H693 AromaticContact CG-ND1 3.8Å; W689-H693 HydrophobicContact CH2-CB 3.82Å; W689-H693 AromaticContact CH2-CG 3.94Å; W689-H693 HydrophobicContact CZ2-CB 4.11Å; W689-H693 AromaticContact CZ2-CD2 3.62Å; W689-H693 AromaticContact CZ2-CG 3.68Å; W689-H693 HydrophobicContact CZ3-CB 3.78Å; W689-H693 AromaticContact NE1-CE1 3.36Å; W689-H693 PolarHBondContact NE1-CE1 2.98Å; W689-H693 AromaticContact NE1-ND1 3.68Å; W689-H693 AromaticContact NE1-NE2 3.63Å; W689-H693 PolarHBondContact O-N 3.07Å; W689-H693 PolarHBondContact O-ND1 2.7Å; W689-F699 HydrophobicContact CZ3-CD2 4.38Å; W689-F699 HydrophobicContact CZ3-CE2 4.23Å
690	I	81.5	Confident	76.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-45.9	175.1	-76.8	169.3	0	0	0	111	L661 F666 A674 A686 F687 V692 H693 M694 F699	L661-I690 HydrophobicContact CB-CD1 4.25Å; L661-I690 HydrophobicContact CD1-CD1 3.91Å; L661-I690 HydrophobicContact CD2-CD1 4.18Å; L661-I690 HydrophobicContact CG-CD1 4.34Å; F666-I690 HydrophobicContact CB-CD1 4.41Å; F666-I690 HydrophobicContact CD1-CG2 3.58Å; F666-I690 HydrophobicContact CD2-CD1 4.25Å; F666-I690 HydrophobicContact CD2-CG2 4.29Å; F666-I690 HydrophobicContact CE1-CG2 3.55Å; F666-I690 HydrophobicContact CE2-CG2 4.3Å; F666-I690 HydrophobicContact CG-CD1 4.29Å; F666-I690 HydrophobicContact CG-CG2 3.97Å; F666-I690 HydrophobicContact CZ-CG2 3.94Å; A674-I690 HydrophobicContact CB-CD1 3.92Å; A674-I690 HydrophobicContact CB-CG1 3.51Å; A686-I690 WeakPolarHBondContact O-CG1 3.38Å; A686-I690 PolarHBondContact O-N 3.46Å; F687-I690 WeakPolarHBondContact O-CB 3.35Å; F687-I690 PolarHBondContact O-N 2.82Å; I690-V692 PolarHBondContact O-N 2.98Å; I690-H693 PolarHBondContact O-N 2.98Å; I690-M694 HydrophobicContact CG2-CE 4.5Å; I690-M694 WeakPolarHBondContact O-CA 3.24Å; I690-M694 WeakPolarHBondContact O-CB 3.2Å; I690-M694 PolarHBondContact O-N 3.12Å; I690-F699 HydrophobicContact CB-CE2 4.3Å; I690-F699 HydrophobicContact CB-CZ 4.2Å; I690-F699 HydrophobicContact CG1-CE2 4.1Å; I690-F699 HydrophobicContact CG1-CZ 4.06Å; I690-F699 HydrophobicContact CG2-CE2 4.18Å; I690-F699 HydrophobicContact CG2-CZ 3.64Å
691	I	80.1	Confident	76.3	Confident	80 Å²	80	62.9 Å²	62.9	41%	0.41	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-38.2	-179.4	-70.4	168.7	0	0	0	112	F687 N688 W689 M694	F687-I691 HydrophobicContact CD1-CD1 3.7Å; F687-I691 HydrophobicContact CE1-CD1 3.18Å; F687-I691 HydrophobicContact CE1-CG1 4.23Å; F687-I691 HydrophobicContact CE2-CD1 4.26Å; F687-I691 HydrophobicContact CG-CD1 4.44Å; F687-I691 HydrophobicContact CZ-CD1 3.51Å; F687-I691 HydrophobicContact CZ-CG1 4.24Å; F687-I691 WeakPolarHBondContact O-CG1 3.17Å; F687-I691 PolarHBondContact O-N 2.98Å; N688-I691 PolarHBondContact O-N 3.37Å; W689-I691 VanDerWaalsContact C-N 3.31Å; W689-I691 PolarHBondContact O-N 2.68Å; I691-M694 HydrophobicContact CB-CE 4.26Å; I691-M694 HydrophobicContact CG1-CE 4Å
692	V	76.3	Confident	76.1	Confident	87 Å²	87	62.2 Å²	62.2	53%	0.527	34%	0.339	S	S	.	.	H	α-helix	trans	-75.8	-33.1	-179.4	175.5	0	0	0	0	112	N688 W689 I690	N688-V692 WeakPolarHBondContact O-CG2 3.42Å; N688-V692 PolarHBondContact O-N 2.82Å; W689-V692 PolarHBondContact O-N 3.01Å; W689-V692 VanDerWaalsContact O-N 3.14Å; I690-V692 PolarHBondContact O-N 2.98Å
693	H	74.7	Confident	75.6	Confident	13 Å²	13	62.8 Å²	62.8	6%	0.06	34%	0.336	C	S	.	.	H	α-helix	trans	-106.9	0.9	-171.6	-58.9	73.3	0	0	0	113.2	Q563 W689 I690 E695 E696 F699	Q563-H693 PolarHBondContact NE2-NE2 3.49Å; W689-H693 AromaticContact CD1-CE1 3.63Å; W689-H693 AromaticContact CD1-ND1 3.84Å; W689-H693 HydrophobicContact CD2-CB 4.32Å; W689-H693 AromaticContact CD2-CG 3.93Å; W689-H693 AromaticContact CD2-ND1 3.59Å; W689-H693 AromaticContact CE2-CD2 3.81Å; W689-H693 AromaticContact CE2-CE1 3.67Å; W689-H693 AromaticContact CE2-CG 3.67Å; W689-H693 AromaticContact CE2-ND1 3.54Å; W689-H693 AromaticContact CE2-NE2 3.83Å; W689-H693 HydrophobicContact CE3-CB 4.02Å; W689-H693 AromaticContact CG-ND1 3.8Å; W689-H693 HydrophobicContact CH2-CB 3.82Å; W689-H693 AromaticContact CH2-CG 3.94Å; W689-H693 HydrophobicContact CZ2-CB 4.11Å; W689-H693 AromaticContact CZ2-CD2 3.62Å; W689-H693 AromaticContact CZ2-CG 3.68Å; W689-H693 HydrophobicContact CZ3-CB 3.78Å; W689-H693 AromaticContact NE1-CE1 3.36Å; W689-H693 PolarHBondContact NE1-CE1 2.98Å; W689-H693 AromaticContact NE1-ND1 3.68Å; W689-H693 AromaticContact NE1-NE2 3.63Å; W689-H693 PolarHBondContact O-N 3.07Å; W689-H693 PolarHBondContact O-ND1 2.7Å; I690-H693 PolarHBondContact O-N 2.98Å; H693-E695 PolarHBondContact O-N 2.99Å; H693-E695 VanDerWaalsContact O-N 3.13Å; H693-E696 HydrophobicContact CB-CG 4.4Å; H693-E696 IonicContact CD2-OE1 3.69Å; H693-E696 PolarHBondContact CD2-OE1 3.34Å; H693-E696 VanDerWaalsContact CD2-OE1 3.25Å; H693-E696 IonicContact CD2-OE2 3.75Å; H693-E696 VanDerWaalsContact O-CB 3.24Å; H693-E696 WeakPolarHBondContact O-CB 3.32Å; H693-E696 PolarHBondContact O-N 2.97Å; H693-F699 HydrophobicContact CB-CD2 4.37Å; H693-F699 WeakPolarHBondContact O-CD2 3.35Å
694	M	78.1	Confident	74.6	Confident	84 Å²	84	68.4 Å²	68.4	41%	0.414	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.9	-176.4	65.2	166.4	74.4	0	0	114.6	F666 I690 I691 E696 F699	F666-M694 HydrophobicContact CE1-CE 4.24Å; I690-M694 HydrophobicContact CG2-CE 4.5Å; I690-M694 WeakPolarHBondContact O-CA 3.24Å; I690-M694 WeakPolarHBondContact O-CB 3.2Å; I690-M694 PolarHBondContact O-N 3.12Å; I691-M694 HydrophobicContact CB-CE 4.26Å; I691-M694 HydrophobicContact CG1-CE 4Å; M694-E696 VanDerWaalsContact C-N 3.34Å; M694-F699 HydrophobicContact CB-CD1 4.4Å; M694-F699 HydrophobicContact CB-CE1 4.05Å; M694-F699 HydrophobicContact CB-CE2 4.28Å; M694-F699 HydrophobicContact CB-CZ 4Å
695	E	70.5	Confident	73	Confident	143 Å²	143	63.7 Å²	63.7	67%	0.668	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.7	176.4	-61.1	-169.5	166.9	0	0	112.9	W558 H693	W558-E695 WeakPolarHBondContact CZ3-O 3.48Å; H693-E695 PolarHBondContact O-N 2.99Å; H693-E695 VanDerWaalsContact O-N 3.13Å
696	E	73.2	Confident	70.6	Confident	35 Å²	35	67 Å²	67	16%	0.164	37%	0.371	C	S	.	.			trans	-66.2	137.1	174.7	-77.6	-177.9	169.9	0	0	111.2	W558 H693 M694 D698 F699	W558-E696 HydrophobicContact CH2-CB 4.2Å; W558-E696 HydrophobicContact CH2-CG 3.29Å; W558-E696 HydrophobicContact CZ2-CB 4.35Å; W558-E696 HydrophobicContact CZ2-CG 3.21Å; W558-E696 HydrophobicContact CZ3-CG 4.19Å; H693-E696 HydrophobicContact CB-CG 4.4Å; H693-E696 IonicContact CD2-OE1 3.69Å; H693-E696 PolarHBondContact CD2-OE1 3.34Å; H693-E696 VanDerWaalsContact CD2-OE1 3.25Å; H693-E696 IonicContact CD2-OE2 3.75Å; H693-E696 VanDerWaalsContact O-CB 3.24Å; H693-E696 WeakPolarHBondContact O-CB 3.32Å; H693-E696 PolarHBondContact O-N 2.97Å; M694-E696 VanDerWaalsContact C-N 3.34Å; E696-D698 PolarHBondContact O-N 3.26Å; E696-F699 HydrophobicContact CB-CB 4.1Å; E696-F699 WeakPolarHBondContact O-CB 3.46Å; E696-F699 PolarHBondContact O-N 3.27Å; E696-F699 VanDerWaalsContact O-N 3.16Å
697	P	66.4	Low	68.4	Low	81 Å²	81	70.5 Å²	70.5	53%	0.526	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.9	177.9	22.5	-30.4	0	0	0	112.1	F699	P697-F699 VanDerWaalsContact C-N 3.32Å
698	D	68.8	Low	65.8	Low	74 Å²	74	77.9 Å²	77.9	40%	0.396	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	5.2	-176.9	-53.8	-12	0	0	0	112.2	K673 E696 A700 E701	K673-D698 PolarHBondContact NZ-O 3.43Å; E696-D698 PolarHBondContact O-N 3.26Å; D698-A700 PolarHBondContact O-N 3.04Å; D698-A700 VanDerWaalsContact O-N 3.12Å; D698-E701 PolarHBondContact O-N 2.84Å
699	F	70.9	Confident	63.5	Low	16 Å²	16	77.5 Å²	77.5	7%	0.07	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.7	-172.8	176.3	-111.8	0	0	0	112.6	P667 A670 W689 I690 H693 M694 E696 P697	P667-F699 HydrophobicContact CG-CE1 4.38Å; A670-F699 WeakPolarHBondContact CA-O 3.42Å; A670-F699 HydrophobicContact CB-CD1 3.75Å; A670-F699 HydrophobicContact CB-CD2 3.99Å; A670-F699 HydrophobicContact CB-CE1 3.41Å; A670-F699 VanDerWaalsContact CB-CE1 3.41Å; A670-F699 HydrophobicContact CB-CE2 3.68Å; A670-F699 HydrophobicContact CB-CG 4.01Å; A670-F699 HydrophobicContact CB-CZ 3.36Å; A670-F699 WeakPolarHBondContact CB-O 3.03Å; W689-F699 HydrophobicContact CZ3-CD2 4.38Å; W689-F699 HydrophobicContact CZ3-CE2 4.23Å; I690-F699 HydrophobicContact CB-CE2 4.3Å; I690-F699 HydrophobicContact CB-CZ 4.2Å; I690-F699 HydrophobicContact CG1-CE2 4.1Å; I690-F699 HydrophobicContact CG1-CZ 4.06Å; I690-F699 HydrophobicContact CG2-CE2 4.18Å; I690-F699 HydrophobicContact CG2-CZ 3.64Å; H693-F699 HydrophobicContact CB-CD2 4.37Å; H693-F699 WeakPolarHBondContact O-CD2 3.35Å; M694-F699 HydrophobicContact CB-CD1 4.4Å; M694-F699 HydrophobicContact CB-CE1 4.05Å; M694-F699 HydrophobicContact CB-CE2 4.28Å; M694-F699 HydrophobicContact CB-CZ 4Å; E696-F699 HydrophobicContact CB-CB 4.1Å; E696-F699 WeakPolarHBondContact O-CB 3.46Å; E696-F699 PolarHBondContact O-N 3.27Å; E696-F699 VanDerWaalsContact O-N 3.16Å; P697-F699 VanDerWaalsContact C-N 3.32Å
700	A	66.3	Low	60.8	Low	54 Å²	54	79.4 Å²	79.4	45%	0.446	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	0.3	-178.5	0	0	0	0	0	114.5	P667 D698	P667-A700 HydrophobicContact CB-CB 4.01Å; P667-A700 HydrophobicContact CG-CB 4.16Å; D698-A700 PolarHBondContact O-N 3.04Å; D698-A700 VanDerWaalsContact O-N 3.12Å
701	E	72.8	Confident	58.4	Low	110 Å²	110	83.9 Å²	83.9	51%	0.514	52%	0.518	S	S	.	.	S	Bend	trans	-75.9	155.5	177.4	-66.4	-161.4	157	0	0	111.7	K673 D698	K673-E701 WeakPolarHBondContact CD-O 3.48Å; K673-E701 WeakPolarHBondContact CE-O 3.44Å; K673-E701 PolarHBondContact NZ-O 3.47Å; D698-E701 PolarHBondContact O-N 2.84Å
702	P	70.7	Confident	55.9	Low	84 Å²	84	85 Å²	85	55%	0.545	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-61.9	149.4	176.4	-16.5	29.9	0	0	0	111.7	T704	P702-T704 PolarHBondContact O-N 2.98Å
703	L	67.6	Low	53.6	Low	36 Å²	36	86.9 Å²	86.9	19%	0.188	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-77.9	116.1	176.6	-166.9	146.7	0	0	0	110.5	K673 Y676 F677 M705	K673-L703 HydrophobicContact CB-CD1 4.22Å; K673-L703 HydrophobicContact CG-CB 3.93Å; K673-L703 HydrophobicContact CG-CD1 3.78Å; K673-L703 HydrophobicContact CG-CG 4.24Å; Y676-L703 HydrophobicContact CD1-CD1 3.46Å; Y676-L703 VanDerWaalsContact CD1-CD1 3.46Å; Y676-L703 HydrophobicContact CD1-CD2 4.3Å; Y676-L703 HydrophobicContact CD1-CG 4.49Å; Y676-L703 HydrophobicContact CD2-CD1 4.39Å; Y676-L703 HydrophobicContact CD2-CD2 4.48Å; Y676-L703 HydrophobicContact CE1-CD1 4.17Å; Y676-L703 HydrophobicContact CE1-CD2 4.3Å; Y676-L703 HydrophobicContact CG-CD1 3.57Å; Y676-L703 HydrophobicContact CG-CD2 4.35Å; F677-L703 HydrophobicContact CE2-CD1 4.13Å; L703-M705 HydrophobicContact CD2-CG 3.8Å; L703-M705 HydrophobicContact CD2-SD 3.21Å; L703-M705 WeakPolarHBondContact CD2-SD 3.02Å
704	T	57.1	Low	51.3	Low	134 Å²	134	91 Å²	91	82%	0.822	59%	0.592	S	S	*	*			trans	-89.5	110.3	174.3	26.8	0	0	0	0	110.3	P702	P702-T704 PolarHBondContact O-N 2.98Å
705	M	47.6	Very low	48.8	Very low	66 Å²	66	91.1 Å²	91.1	33%	0.325	62%	0.615	S	S	.	*			trans	-77.7	129.1	179.7	-66.4	-68.1	-79.7	0	0	111.1	P650 Y676 L703 G707	P650-M705 HydrophobicContact CB-CE 3.86Å; P650-M705 HydrophobicContact CG-CE 4.02Å; Y676-M705 HydrophobicContact CD2-SD 4.25Å; Y676-M705 HydrophobicContact CE1-SD 4.49Å; Y676-M705 HydrophobicContact CE2-CE 3.52Å; Y676-M705 HydrophobicContact CE2-SD 3.48Å; Y676-M705 WeakPolarHBondContact CE2-SD 3.25Å; Y676-M705 VanDerWaalsContact CZ-SD 3.6Å; L703-M705 HydrophobicContact CD2-CG 3.8Å; L703-M705 HydrophobicContact CD2-SD 3.21Å; L703-M705 WeakPolarHBondContact CD2-SD 3.02Å; M705-G707 PolarHBondContact O-N 2.76Å; M705-G707 VanDerWaalsContact O-N 3.07Å
706	P	32.5	Very low	46.6	Very low	128 Å²	128	89.2 Å²	89.2	83%	0.831	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	105.6	171	-6.5	21.4	0	0	0	108.7
707	G	35.1	Very low	44.4	Very low	73 Å²	73	93 Å²	93	75%	0.753	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	141	-2.9	172.6	0	0	0	0	0	117.4	M705	M705-G707 PolarHBondContact O-N 2.76Å; M705-G707 VanDerWaalsContact O-N 3.07Å
708	Y	27.9	Very low	42.4	Very low	215 Å²	215	95.3 Å²	95.3	84%	0.843	67%	0.666	S	S	*	*			trans	-143.1	105.7	173.8	-130.8	-98.9	0	0	0	110.6	G710	Y708-G710 PolarHBondContact O-N 2.84Å
709	G	33.3	Very low	40.4	Very low	91 Å²	91	101.7 Å²	101.7	94%	0.938	69%	0.691	S	S	*	*			trans	-62.8	97.5	168	0	0	0	0	0	109.7
710	G	26.4	Very low	38.4	Very low	63 Å²	63	104.8 Å²	104.8	65%	0.649	73%	0.727	S	S	*	*			trans	-126.3	115.2	176.4	0	0	0	0	0	109.5	Y708	Y708-G710 PolarHBondContact O-N 2.84Å
711	A	30.4	Very low	36.5	Very low	95 Å²	95	107 Å²	107	79%	0.785	75%	0.745	S	S	*	*			trans	-50	140	179.4	0	0	0	0	0	113	S713	A711-S713 PolarHBondContact O-N 2.92Å
712	A	28.3	Very low	34.4	Very low	104 Å²	104	108.5 Å²	108.5	86%	0.86	76%	0.762	S	S	*	*			trans	-56.9	119.2	169.8	0	0	0	0	0	110.5	A714	A712-A714 PolarHBondContact O-N 2.85Å
713	S	27.4	Very low	32.8	Very low	126 Å²	126	108.1 Å²	108.1	88%	0.881	77%	0.773	S	S	*	*			trans	-66	102.3	177.8	-46.7	0	0	0	0	111.4	A711	A711-S713 PolarHBondContact O-N 2.92Å
714	A	26.1	Very low	31.3	Very low	99 Å²	99	113.9 Å²	113.9	82%	0.818	80%	0.803	S	S	*	*			trans	-105	119.2	154.8	0	0	0	0	0	108.2	A712	A712-A714 PolarHBondContact O-N 2.85Å
715	G	25.5	Very low	30.5	Very low	86 Å²	86	113.8 Å²	113.8	89%	0.887	80%	0.798	S	S	*	*			trans	-61.5	143.9	-159.7	0	0	0	0	0	117.1
716	A	25	Very low	30.8	Very low	103 Å²	103	118 Å²	118	85%	0.851	82%	0.822	S	S	*	*			trans	-140	117.3	158.1	0	0	0	0	0	109.2
717	S	25.9	Very low	32.3	Very low	115 Å²	115	117.8 Å²	117.8	80%	0.804	81%	0.81	S	S	*	*			trans	-89.4	131.5	158.3	53.3	0	0	0	0	108.9
718	V	25.5	Very low	34.3	Very low	129 Å²	129	114.6 Å²	114.6	78%	0.782	78%	0.776	S	S	*	*			trans	153.2	102.9	133.3	170.6	0	0	0	0	109.1
719	F	27.1	Very low	37	Very low	209 Å²	209	107.4 Å²	107.4	92%	0.917	76%	0.755	S	S	*	*			trans	21.9	117.8	150.1	-72.8	-90.2	0	0	0	120.8
720	G	27.1	Very low	39.5	Very low	80 Å²	80	107.4 Å²	107.4	83%	0.825	73%	0.731	S	S	*	*				116.4	80.3	129.1	0	0	0	0	0	117.1
721	A	26.4	Very low	42.1	Very low	100 Å²	100	112.1 Å²	112.1	83%	0.826	74%	0.736	S	S	*	*			trans	-162	119.1	146.4	0	0	0	0	0	110.3
722	T	29.5	Very low	44.6	Very low	143 Å²	143	109.3 Å²	109.3	88%	0.877	71%	0.707	S	S	*	*			trans	-58.6	142.2	165.2	42.9	0	0	0	0	110.7
723	G	36.7	Very low	47.4	Very low	75 Å²	75	104.4 Å²	104.4	77%	0.773	67%	0.667	S	S	*	*			trans	-55.2	140.5	-168.8	0	0	0	0	0	116.1
724	L	35.9	Very low	50	Low	157 Å²	157	100.9 Å²	100.9	82%	0.822	65%	0.645	S	S	*	*			trans	-161.6	129.3	153.1	-94.3	157.2	0	0	0	106.3
725	D	41.9	Very low	52.7	Low	133 Å²	133	99.5 Å²	99.5	71%	0.711	62%	0.624	S	S	*	*			trans	58.9	85.4	165.9	-57.6	-25.6	0	0	0	120	Q727	D725-Q727 PolarHBondContact O-N 3.3Å
726	N	54.1	Low	55.4	Low	154 Å²	154	95.4 Å²	95.4	82%	0.824	58%	0.581	S	S	*	*			trans	-91.2	38	156.9	-134.4	16.9	0	0	0	110.8
727	Q	63	Low	58.1	Low	124 Å²	124	93.2 Å²	93.2	58%	0.579	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-91.4	133.5	174.3	-71.8	-154.3	-25.2	0	0	109.8	D725	D725-Q727 PolarHBondContact O-N 3.3Å
728	P	77.5	Confident	60.5	Low	6 Å²	6	92.4 Å²	92.4	4%	0.039	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-57.9	147.6	174.6	20.6	-29	0	0	0	110.5	E730 V733 I747 L750 N755	P728-E730 PolarHBondContact O-N 3.33Å; P728-V733 HydrophobicContact CB-CG2 4.16Å; P728-V733 HydrophobicContact CG-CG2 3.89Å; P728-I747 HydrophobicContact CG-CB 4.21Å; P728-I747 HydrophobicContact CG-CG1 4Å; P728-I747 HydrophobicContact CG-CG2 3.99Å; P728-L750 HydrophobicContact CB-CB 3.7Å; P728-L750 HydrophobicContact CB-CD1 3.65Å; P728-L750 HydrophobicContact CB-CG 4.27Å; P728-L750 HydrophobicContact CG-CB 4.16Å; P728-L750 HydrophobicContact CG-CD1 4.17Å; P728-N755 WeakPolarHBondContact CB-OD1 3.47Å
729	P	84	Confident	62.7	Low	63 Å²	63	90.2 Å²	90.2	41%	0.409	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-53.3	126	179.7	-24.8	32.9	0	0	0	111.8	E731 I732 V733	P729-E731 PolarHBondContact O-N 3.39Å; P729-E731 VanDerWaalsContact O-N 3.15Å; P729-I732 HydrophobicContact CB-CD1 3.94Å; P729-I732 HydrophobicContact CB-CG1 4.05Å; P729-I732 HydrophobicContact CG-CD1 3.84Å; P729-I732 HydrophobicContact CG-CG1 4.49Å; P729-I732 WeakPolarHBondContact O-CB 3.24Å; P729-I732 PolarHBondContact O-N 3.18Å; P729-V733 PolarHBondContact O-N 2.88Å
730	E	85.3	Confident	64.7	Low	91 Å²	91	83.5 Å²	83.5	43%	0.425	52%	0.523	S	S	.	.	H	α-helix	trans	-59.4	-30.3	-173.9	-172.2	65.9	-170.1	0	0	112.7	P728 I732 V733 A734 R743	P728-E730 PolarHBondContact O-N 3.33Å; E730-I732 VanDerWaalsContact C-N 3.32Å; E730-I732 PolarHBondContact O-N 3.05Å; E730-V733 PolarHBondContact O-N 2.75Å; E730-A734 WeakPolarHBondContact O-CB 3.41Å; E730-A734 PolarHBondContact O-N 3.04Å; E730-R743 IonicContact OE1-CZ 3.21Å; E730-R743 IonicContact OE1-NH1 2.78Å; E730-R743 PolarHBondContact OE1-NH1 3.42Å; E730-R743 IonicContact OE1-NH2 3.55Å; E730-R743 PolarHBondContact OE1-NH2 2.71Å; E730-R743 IonicContact OE2-CZ 3.25Å; E730-R743 IonicContact OE2-NH2 3.46Å; E730-R743 PolarHBondContact OE2-NH2 3.44Å
731	E	82.3	Confident	67.2	Low	163 Å²	163	80.6 Å²	80.6	76%	0.762	49%	0.488	S	S	*	.	H	α-helix	trans	-60.8	-40.5	174.2	-64.6	-179.7	-178.8	0	0	111.9	P729 A734 I735	P729-E731 PolarHBondContact O-N 3.39Å; P729-E731 VanDerWaalsContact O-N 3.15Å; E731-A734 PolarHBondContact O-N 3.34Å; E731-I735 VanDerWaalsContact O-CG1 3.3Å; E731-I735 WeakPolarHBondContact O-CG1 3.48Å; E731-I735 PolarHBondContact O-N 3.45Å
732	I	83.3	Confident	69.9	Low	35 Å²	35	80.2 Å²	80.2	18%	0.179	47%	0.469	C	S	.	.	H	α-helix	trans	-73.8	-39.1	-179.6	-54.4	177.8	0	0	0	110	P729 E730 A734 I735 I736 L750 L757	P729-I732 HydrophobicContact CB-CD1 3.94Å; P729-I732 HydrophobicContact CB-CG1 4.05Å; P729-I732 HydrophobicContact CG-CD1 3.84Å; P729-I732 HydrophobicContact CG-CG1 4.49Å; P729-I732 WeakPolarHBondContact O-CB 3.24Å; P729-I732 PolarHBondContact O-N 3.18Å; E730-I732 VanDerWaalsContact C-N 3.32Å; E730-I732 PolarHBondContact O-N 3.05Å; I732-A734 VanDerWaalsContact C-N 3.31Å; I732-A734 PolarHBondContact O-N 3.44Å; I732-I735 PolarHBondContact O-N 2.95Å; I732-I736 HydrophobicContact CG2-CD1 4.48Å; I732-I736 WeakPolarHBondContact O-CG1 3.2Å; I732-I736 PolarHBondContact O-N 3.36Å; I732-I736 VanDerWaalsContact O-N 3.09Å; I732-L750 HydrophobicContact CB-CD1 4.19Å; I732-L750 HydrophobicContact CG2-CD1 3.81Å; I732-L750 HydrophobicContact CG2-CD2 3.51Å; I732-L750 HydrophobicContact CG2-CG 4.31Å; I732-L757 HydrophobicContact CG2-CB 3.89Å; I732-L757 HydrophobicContact CG2-CD1 3.72Å; I732-L757 HydrophobicContact CG2-CG 4.27Å
733	V	85.3	Confident	72.3	Confident	2 Å²	2	79 Å²	79	1%	0.012	45%	0.449	C	S	.	.	H	α-helix	trans	-60.4	-42.6	172.7	178	0	0	0	0	110.7	P728 P729 E730 I736 T737 R743 A746 I747 L750	P728-V733 HydrophobicContact CB-CG2 4.16Å; P728-V733 HydrophobicContact CG-CG2 3.89Å; P729-V733 PolarHBondContact O-N 2.88Å; E730-V733 PolarHBondContact O-N 2.75Å; V733-I736 PolarHBondContact O-N 3.16Å; V733-T737 WeakPolarHBondContact O-CB 3.34Å; V733-T737 PolarHBondContact O-N 3.22Å; V733-T737 PolarHBondContact O-OG1 2.97Å; V733-R743 HydrophobicContact CG1-CG 3.89Å; V733-A746 HydrophobicContact CG1-CB 4.23Å; V733-I747 HydrophobicContact CG1-CG1 4.31Å; V733-I747 HydrophobicContact CG2-CG1 4.08Å; V733-L750 HydrophobicContact CG2-CD1 3.79Å
734	A	83	Confident	74.4	Confident	52 Å²	52	81.1 Å²	81.1	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-38.5	177.5	0	0	0	0	0	112.4	E730 E731 I732 T737 S738	E730-A734 WeakPolarHBondContact O-CB 3.41Å; E730-A734 PolarHBondContact O-N 3.04Å; E731-A734 PolarHBondContact O-N 3.34Å; I732-A734 VanDerWaalsContact C-N 3.31Å; I732-A734 PolarHBondContact O-N 3.44Å; A734-T737 PolarHBondContact O-N 3.47Å; A734-S738 VanDerWaalsContact O-CB 3.28Å; A734-S738 WeakPolarHBondContact O-CB 3.29Å; A734-S738 PolarHBondContact O-N 3.42Å; A734-S738 PolarHBondContact O-OG 2.83Å
735	I	81.9	Confident	76.5	Confident	70 Å²	70	74.4 Å²	74.4	36%	0.359	41%	0.407	S	S	.	.	H	α-helix	trans	-59.9	-52.1	174.1	-69.9	164.1	0	0	0	110.3	E731 I732 T737 S738 M739 L757	E731-I735 VanDerWaalsContact O-CG1 3.3Å; E731-I735 WeakPolarHBondContact O-CG1 3.48Å; E731-I735 PolarHBondContact O-N 3.45Å; I732-I735 PolarHBondContact O-N 2.95Å; I735-T737 VanDerWaalsContact C-N 3.34Å; I735-T737 PolarHBondContact O-N 2.93Å; I735-S738 PolarHBondContact O-N 2.85Å; I735-S738 PolarHBondContact O-OG 3.24Å; I735-M739 HydrophobicContact CG2-CE 3.89Å; I735-M739 WeakPolarHBondContact O-CG 3.17Å; I735-M739 PolarHBondContact O-N 2.99Å; I735-M739 VanDerWaalsContact O-N 3.16Å; I735-L757 HydrophobicContact CD1-CD2 4.39Å; I735-L757 HydrophobicContact CG2-CD1 4.15Å; I735-L757 HydrophobicContact CG2-CD2 4.31Å
736	I	82.3	Confident	78.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-64.2	-40.8	-179.5	-61.6	175.2	0	0	0	110.9	I732 V733 S738 M739 F741 A746 L750 L757 A760 L761 I764	I732-I736 HydrophobicContact CG2-CD1 4.48Å; I732-I736 WeakPolarHBondContact O-CG1 3.2Å; I732-I736 PolarHBondContact O-N 3.36Å; I732-I736 VanDerWaalsContact O-N 3.09Å; V733-I736 PolarHBondContact O-N 3.16Å; I736-S738 VanDerWaalsContact C-N 3.3Å; I736-S738 PolarHBondContact O-N 3.05Å; I736-M739 WeakPolarHBondContact O-CB 3.47Å; I736-M739 PolarHBondContact O-N 2.8Å; I736-M739 VanDerWaalsContact O-N 3.11Å; I736-F741 HydrophobicContact CG2-CB 3.93Å; I736-F741 HydrophobicContact CG2-CD2 3.82Å; I736-F741 HydrophobicContact CG2-CG 4.22Å; I736-A746 HydrophobicContact CB-CB 3.78Å; I736-A746 HydrophobicContact CD1-CB 4.3Å; I736-A746 HydrophobicContact CG2-CB 3.54Å; I736-L750 HydrophobicContact CD1-CD1 3.94Å; I736-L750 HydrophobicContact CD1-CD2 4.15Å; I736-L750 HydrophobicContact CD1-CG 3.91Å; I736-L757 HydrophobicContact CD1-CD1 4.07Å; I736-L757 HydrophobicContact CG1-CD1 3.73Å; I736-A760 HydrophobicContact CD1-CB 4.08Å; I736-L761 HydrophobicContact CG1-CD2 4Å; I736-L761 HydrophobicContact CG2-CD2 4.43Å; I736-I764 HydrophobicContact CD1-CD1 4.39Å; I736-I764 HydrophobicContact CG2-CD1 3.49Å; I736-I764 VanDerWaalsContact CG2-CD1 3.49Å
737	T	82.9	Confident	80	Confident	56 Å²	56	62 Å²	62	34%	0.344	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-37.1	176.7	-52	0	0	0	0	111.4	V733 A734 I735 M739 G740 F741	V733-T737 WeakPolarHBondContact O-CB 3.34Å; V733-T737 PolarHBondContact O-N 3.22Å; V733-T737 PolarHBondContact O-OG1 2.97Å; A734-T737 PolarHBondContact O-N 3.47Å; I735-T737 VanDerWaalsContact C-N 3.34Å; I735-T737 PolarHBondContact O-N 2.93Å; T737-M739 PolarHBondContact O-N 3.36Å; T737-G740 PolarHBondContact O-N 3.26Å; T737-F741 WeakPolarHBondContact CA-O 3.47Å
738	S	76.6	Confident	80.9	Confident	99 Å²	99	60 Å²	60	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-68.8	-21.4	176.2	75.6	0	0	0	0	113.7	A734 I735 I736 G740	A734-S738 VanDerWaalsContact O-CB 3.28Å; A734-S738 WeakPolarHBondContact O-CB 3.29Å; A734-S738 PolarHBondContact O-N 3.42Å; A734-S738 PolarHBondContact O-OG 2.83Å; I735-S738 PolarHBondContact O-N 2.85Å; I735-S738 PolarHBondContact O-OG 3.24Å; I736-S738 VanDerWaalsContact C-N 3.3Å; I736-S738 PolarHBondContact O-N 3.05Å; S738-G740 PolarHBondContact O-N 2.94Å
739	M	71.3	Confident	81.2	Confident	83 Å²	83	59.7 Å²	59.7	41%	0.409	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-2.6	170.9	-65.6	178.8	177.7	0	0	112.8	I735 I736 T737 F741 L761	I735-M739 HydrophobicContact CG2-CE 3.89Å; I735-M739 WeakPolarHBondContact O-CG 3.17Å; I735-M739 PolarHBondContact O-N 2.99Å; I735-M739 VanDerWaalsContact O-N 3.16Å; I736-M739 WeakPolarHBondContact O-CB 3.47Å; I736-M739 PolarHBondContact O-N 2.8Å; I736-M739 VanDerWaalsContact O-N 3.11Å; T737-M739 PolarHBondContact O-N 3.36Å; M739-F741 HydrophobicContact CB-CD2 4.06Å; M739-F741 HydrophobicContact CB-CE2 4.12Å; M739-L761 HydrophobicContact CE-CD1 4.01Å; M739-L761 HydrophobicContact SD-CD1 3.91Å; M739-L761 HydrophobicContact SD-CD2 3.47Å; M739-L761 WeakPolarHBondContact SD-CD2 3.49Å; M739-L761 HydrophobicContact SD-CG 4.36Å
740	G	69.5	Low	81.3	Confident	67 Å²	67	56.7 Å²	56.7	69%	0.691	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.2	3.7	174.1	0	0	0	0	0	115	T737 S738	T737-G740 PolarHBondContact O-N 3.26Å; S738-G740 PolarHBondContact O-N 2.94Å
741	F	79.7	Confident	81.3	Confident	20 Å²	20	60 Å²	60	9%	0.088	32%	0.318	C	S	.	.			trans	-87.1	153.9	179.4	-62.2	-68.1	0	0	0	112.6	I736 T737 M739 I764 F765	I736-F741 HydrophobicContact CG2-CB 3.93Å; I736-F741 HydrophobicContact CG2-CD2 3.82Å; I736-F741 HydrophobicContact CG2-CG 4.22Å; T737-F741 WeakPolarHBondContact CA-O 3.47Å; M739-F741 HydrophobicContact CB-CD2 4.06Å; M739-F741 HydrophobicContact CB-CE2 4.12Å; F741-I764 HydrophobicContact CD1-CG2 3.56Å; F741-I764 HydrophobicContact CD2-CG2 4.38Å; F741-I764 HydrophobicContact CE1-CG2 3.33Å; F741-I764 HydrophobicContact CE2-CG2 4.19Å; F741-I764 HydrophobicContact CG-CG2 4.08Å; F741-I764 HydrophobicContact CZ-CG2 3.68Å; F741-F765 HydrophobicContact CE2-CE2 4.22Å; F741-F765 AromaticContact CE2-CZ 3.84Å; F741-F765 HydrophobicContact CE2-CZ 3.84Å; F741-F765 HydrophobicContact CZ-CD1 4.43Å; F741-F765 AromaticContact CZ-CE1 3.68Å; F741-F765 HydrophobicContact CZ-CE1 3.68Å; F741-F765 HydrophobicContact CZ-CE2 4.04Å; F741-F765 AromaticContact CZ-CZ 3.42Å; F741-F765 HydrophobicContact CZ-CZ 3.42Å; F741-F765 VanDerWaalsContact CZ-CZ 3.42Å
742	Q	82	Confident	81.4	Confident	91 Å²	91	54.9 Å²	54.9	43%	0.425	30%	0.303	S	S	.	.			trans	-70.2	147.8	174.9	-64.7	-167.5	7.9	0	0	111.3	N744 Q745 A746	Q742-N744 VanDerWaalsContact C-N 3.27Å; Q742-N744 PolarHBondContact O-N 2.88Å; Q742-Q745 HydrophobicContact CB-CB 4.48Å; Q742-Q745 WeakPolarHBondContact O-CB 3.42Å; Q742-Q745 PolarHBondContact O-N 2.99Å; Q742-Q745 VanDerWaalsContact O-N 3.17Å; Q742-A746 PolarHBondContact O-N 3.1Å
743	R	80.6	Confident	81.5	Confident	119 Å²	119	53.5 Å²	53.5	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-56.1	-39	-180	-176	-179.2	177.9	113.6	6.5	113	E730 V733 A746 I747	E730-R743 IonicContact OE1-CZ 3.21Å; E730-R743 IonicContact OE1-NH1 2.78Å; E730-R743 PolarHBondContact OE1-NH1 3.42Å; E730-R743 IonicContact OE1-NH2 3.55Å; E730-R743 PolarHBondContact OE1-NH2 2.71Å; E730-R743 IonicContact OE2-CZ 3.25Å; E730-R743 IonicContact OE2-NH2 3.46Å; E730-R743 PolarHBondContact OE2-NH2 3.44Å; V733-R743 HydrophobicContact CG1-CG 3.89Å; R743-A746 PolarHBondContact O-N 3.39Å; R743-I747 HydrophobicContact CG-CD1 4.15Å; R743-I747 WeakPolarHBondContact O-CG1 3.48Å; R743-I747 PolarHBondContact O-N 2.78Å; R743-I747 VanDerWaalsContact O-N 3.1Å
744	N	80.6	Confident	81.5	Confident	118 Å²	118	60.1 Å²	60.1	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-66.7	-42.1	-179.6	-68.6	-21.5	0	0	0	111.8	Q742 I747 Q748	Q742-N744 VanDerWaalsContact C-N 3.27Å; Q742-N744 PolarHBondContact O-N 2.88Å; N744-I747 PolarHBondContact O-N 3.29Å; N744-Q748 PolarHBondContact O-N 3Å
745	Q	80.6	Confident	81.5	Confident	17 Å²	17	60.5 Å²	60.5	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-43.3	175.9	-169.7	-176.7	23.5	0	0	111.3	Q742 I747 Q748 A749 I764	Q742-Q745 HydrophobicContact CB-CB 4.48Å; Q742-Q745 WeakPolarHBondContact O-CB 3.42Å; Q742-Q745 PolarHBondContact O-N 2.99Å; Q742-Q745 VanDerWaalsContact O-N 3.17Å; Q745-I747 VanDerWaalsContact C-N 3.33Å; Q745-I747 PolarHBondContact O-N 3.25Å; Q745-Q748 PolarHBondContact O-N 3.3Å; Q745-A749 WeakPolarHBondContact O-CB 3.48Å; Q745-A749 PolarHBondContact O-N 3.41Å; Q745-I764 HydrophobicContact CG-CG1 4.4Å; Q745-I764 HydrophobicContact CG-CG2 4.47Å
746	A	84	Confident	81.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-43.4	174.9	0	0	0	0	0	112.2	V733 I736 Q742 R743 L750	V733-A746 HydrophobicContact CG1-CB 4.23Å; I736-A746 HydrophobicContact CB-CB 3.78Å; I736-A746 HydrophobicContact CD1-CB 4.3Å; I736-A746 HydrophobicContact CG2-CB 3.54Å; Q742-A746 PolarHBondContact O-N 3.1Å; R743-A746 PolarHBondContact O-N 3.39Å; A746-L750 WeakPolarHBondContact O-CB 2.93Å; A746-L750 WeakPolarHBondContact O-CD1 3.41Å; A746-L750 VanDerWaalsContact O-CG 3.24Å; A746-L750 WeakPolarHBondContact O-CG 3.13Å; A746-L750 PolarHBondContact O-N 3.27Å
747	I	84.1	Confident	81.6	Confident	25 Å²	25	62.9 Å²	62.9	13%	0.128	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-41.9	178.2	-68.5	166.8	0	0	0	111.1	P728 V733 R743 N744 Q745 L750 R751	P728-I747 HydrophobicContact CG-CB 4.21Å; P728-I747 HydrophobicContact CG-CG1 4Å; P728-I747 HydrophobicContact CG-CG2 3.99Å; V733-I747 HydrophobicContact CG1-CG1 4.31Å; V733-I747 HydrophobicContact CG2-CG1 4.08Å; R743-I747 HydrophobicContact CG-CD1 4.15Å; R743-I747 WeakPolarHBondContact O-CG1 3.48Å; R743-I747 PolarHBondContact O-N 2.78Å; R743-I747 VanDerWaalsContact O-N 3.1Å; N744-I747 PolarHBondContact O-N 3.29Å; Q745-I747 VanDerWaalsContact C-N 3.33Å; Q745-I747 PolarHBondContact O-N 3.25Å; I747-L750 PolarHBondContact O-N 2.85Å; I747-R751 VanDerWaalsContact O-CG 3.31Å; I747-R751 WeakPolarHBondContact O-CG 3.4Å; I747-R751 PolarHBondContact O-N 2.77Å
748	Q	82.7	Confident	81.5	Confident	82 Å²	82	66.9 Å²	66.9	38%	0.383	35%	0.354	S	S	.	.	H	α-helix	trans	-66.3	-43.9	179.7	-172.9	172.9	-0.7	0	0	111.9	N744 Q745 L750 R751 A752 W763	N744-Q748 PolarHBondContact O-N 3Å; Q745-Q748 PolarHBondContact O-N 3.3Å; Q748-L750 PolarHBondContact O-N 3.1Å; Q748-R751 WeakPolarHBondContact O-CB 3.38Å; Q748-R751 PolarHBondContact O-N 2.91Å; Q748-A752 PolarHBondContact O-N 3.01Å; Q748-W763 HydrophobicContact CG-CH2 4.25Å; Q748-W763 HydrophobicContact CG-CZ3 4.49Å
749	A	83.9	Confident	81.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-45.5	175.6	0	0	0	0	0	112	Q745 R751 A752 T753 A760 W763 I764	Q745-A749 WeakPolarHBondContact O-CB 3.48Å; Q745-A749 PolarHBondContact O-N 3.41Å; A749-R751 VanDerWaalsContact C-N 3.3Å; A749-R751 PolarHBondContact O-N 3.25Å; A749-A752 PolarHBondContact O-N 3.5Å; A749-T753 WeakPolarHBondContact O-CG2 3.44Å; A749-T753 PolarHBondContact O-N 3.49Å; A749-T753 VanDerWaalsContact O-N 3.07Å; A749-T753 PolarHBondContact O-OG1 3.31Å; A749-A760 HydrophobicContact CB-CB 4.05Å; A749-W763 HydrophobicContact CB-CE3 3.72Å; A749-W763 HydrophobicContact CB-CZ3 4.33Å; A749-I764 HydrophobicContact CB-CD1 3.62Å; A749-I764 HydrophobicContact CB-CG1 3.35Å
750	L	85.9	Confident	82.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-34.6	177.3	-71.6	165.8	0	0	0	112.1	P728 I732 V733 I736 A746 I747 Q748 T753 N754 N755 A760	P728-L750 HydrophobicContact CB-CB 3.7Å; P728-L750 HydrophobicContact CB-CD1 3.65Å; P728-L750 HydrophobicContact CB-CG 4.27Å; P728-L750 HydrophobicContact CG-CB 4.16Å; P728-L750 HydrophobicContact CG-CD1 4.17Å; I732-L750 HydrophobicContact CB-CD1 4.19Å; I732-L750 HydrophobicContact CG2-CD1 3.81Å; I732-L750 HydrophobicContact CG2-CD2 3.51Å; I732-L750 HydrophobicContact CG2-CG 4.31Å; V733-L750 HydrophobicContact CG2-CD1 3.79Å; I736-L750 HydrophobicContact CD1-CD1 3.94Å; I736-L750 HydrophobicContact CD1-CD2 4.15Å; I736-L750 HydrophobicContact CD1-CG 3.91Å; A746-L750 WeakPolarHBondContact O-CB 2.93Å; A746-L750 WeakPolarHBondContact O-CD1 3.41Å; A746-L750 VanDerWaalsContact O-CG 3.24Å; A746-L750 WeakPolarHBondContact O-CG 3.13Å; A746-L750 PolarHBondContact O-N 3.27Å; I747-L750 PolarHBondContact O-N 2.85Å; Q748-L750 PolarHBondContact O-N 3.1Å; L750-T753 PolarHBondContact O-N 2.86Å; L750-N754 PolarHBondContact O-N 3.47Å; L750-N755 WeakPolarHBondContact O-CA 3.3Å; L750-N755 PolarHBondContact O-N 3.31Å; L750-A760 HydrophobicContact CD2-CB 3.6Å; L750-A760 HydrophobicContact CG-CB 3.98Å
751	R	85.6	Confident	83	Confident	162 Å²	162	63 Å²	63	61%	0.611	30%	0.3	S	S	*	.	H	α-helix	trans	-65.8	-43.4	172.6	-76.3	174.9	177	177	1.4	112.1	I747 Q748 A749 T753	I747-R751 VanDerWaalsContact O-CG 3.31Å; I747-R751 WeakPolarHBondContact O-CG 3.4Å; I747-R751 PolarHBondContact O-N 2.77Å; Q748-R751 WeakPolarHBondContact O-CB 3.38Å; Q748-R751 PolarHBondContact O-N 2.91Å; A749-R751 VanDerWaalsContact C-N 3.3Å; A749-R751 PolarHBondContact O-N 3.25Å; R751-T753 PolarHBondContact O-N 3.32Å
752	A	83.4	Confident	83.1	Confident	55 Å²	55	65.9 Å²	65.9	46%	0.455	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-25.3	179	0	0	0	0	0	112.8	Q748 A749 W763	Q748-A752 PolarHBondContact O-N 3.01Å; A749-A752 PolarHBondContact O-N 3.5Å; A752-W763 HydrophobicContact CB-CD2 4.13Å; A752-W763 HydrophobicContact CB-CG 4.29Å; A752-W763 HydrophobicContact CB-CZ2 4.3Å
753	T	86.1	Confident	83.2	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.031	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	16.6	-173.4	66.8	0	0	0	0	114.5	A749 L750 R751 N755 N756 R759 A760 W763	A749-T753 WeakPolarHBondContact O-CG2 3.44Å; A749-T753 PolarHBondContact O-N 3.49Å; A749-T753 VanDerWaalsContact O-N 3.07Å; A749-T753 PolarHBondContact O-OG1 3.31Å; L750-T753 PolarHBondContact O-N 2.86Å; R751-T753 PolarHBondContact O-N 3.32Å; T753-N755 VanDerWaalsContact C-N 3.34Å; T753-N755 PolarHBondContact O-N 3.5Å; T753-N756 WeakPolarHBondContact O-CB 3.39Å; T753-N756 PolarHBondContact O-N 3.45Å; T753-N756 PolarHBondContact OG1-O 2.85Å; T753-R759 HydrophobicContact CG2-CB 3.85Å; T753-R759 WeakPolarHBondContact CG2-O 3.28Å; T753-A760 WeakPolarHBondContact OG1-CA 3.43Å; T753-A760 WeakPolarHBondContact OG1-CB 2.88Å; T753-A760 PolarHBondContact OG1-N 3.15Å; T753-W763 HydrophobicContact CG2-CB 3.81Å; T753-W763 HydrophobicContact CG2-CG 4.2Å
754	N	84.6	Confident	83.3	Confident	142 Å²	142	58.3 Å²	58.3	76%	0.759	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	45.5	177.9	-160.2	25.1	0	0	0	112.8	L750 N756	L750-N754 PolarHBondContact O-N 3.47Å; N754-N756 PolarHBondContact O-N 2.8Å
755	N	83.1	Confident	83.1	Confident	59 Å²	59	55.2 Å²	55.2	32%	0.316	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	19.1	-179.9	-56.9	-45.7	0	0	0	115.3	P728 L750 T753	P728-N755 WeakPolarHBondContact CB-OD1 3.47Å; L750-N755 WeakPolarHBondContact O-CA 3.3Å; L750-N755 PolarHBondContact O-N 3.31Å; T753-N755 VanDerWaalsContact C-N 3.34Å; T753-N755 PolarHBondContact O-N 3.5Å
756	N	84.8	Confident	83.1	Confident	69 Å²	69	58 Å²	58	37%	0.369	29%	0.287	S	S	.	.			trans	-83.5	116.1	173.5	-175.2	-55	0	0	0	110.2	T753 N754 E758 R759 A760	T753-N756 WeakPolarHBondContact O-CB 3.39Å; T753-N756 PolarHBondContact O-N 3.45Å; T753-N756 PolarHBondContact OG1-O 2.85Å; N754-N756 PolarHBondContact O-N 2.8Å; N756-E758 PolarHBondContact O-N 3.26Å; N756-E758 PolarHBondContact OD1-N 3.39Å; N756-E758 VanDerWaalsContact OD1-N 3.07Å; N756-R759 HydrophobicContact CB-CB 4.18Å; N756-R759 HydrophobicContact CB-CG 4.39Å; N756-R759 PolarHBondContact OD1-N 3.04Å; N756-R759 VanDerWaalsContact OD1-N 3.12Å; N756-A760 VanDerWaalsContact O-CB 3.23Å; N756-A760 WeakPolarHBondContact O-CB 3.47Å; N756-A760 PolarHBondContact O-N 2.82Å
757	L	81.6	Confident	82.7	Confident	51 Å²	51	61.4 Å²	61.4	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-57.3	-48.4	-178.1	172.8	61.4	0	0	0	112.9	I732 I735 I736 A760 L761	I732-L757 HydrophobicContact CG2-CB 3.89Å; I732-L757 HydrophobicContact CG2-CD1 3.72Å; I732-L757 HydrophobicContact CG2-CG 4.27Å; I735-L757 HydrophobicContact CD1-CD2 4.39Å; I735-L757 HydrophobicContact CG2-CD1 4.15Å; I735-L757 HydrophobicContact CG2-CD2 4.31Å; I736-L757 HydrophobicContact CD1-CD1 4.07Å; I736-L757 HydrophobicContact CG1-CD1 3.73Å; L757-A760 PolarHBondContact O-N 3.49Å; L757-L761 HydrophobicContact CD1-CD1 4.06Å; L757-L761 HydrophobicContact CD1-CG 4.15Å; L757-L761 HydrophobicContact CG-CD1 4.34Å; L757-L761 WeakPolarHBondContact O-CG 3.3Å; L757-L761 PolarHBondContact O-N 3.01Å
758	E	82.1	Confident	81.5	Confident	140 Å²	140	63.1 Å²	63.1	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-63.8	-47.1	-175.2	-64.6	-179.8	172.2	0	0	110.6	N756 A760 L761 D762	N756-E758 PolarHBondContact O-N 3.26Å; N756-E758 PolarHBondContact OD1-N 3.39Å; N756-E758 VanDerWaalsContact OD1-N 3.07Å; E758-A760 VanDerWaalsContact C-N 3.34Å; E758-A760 PolarHBondContact O-N 3.37Å; E758-L761 PolarHBondContact O-N 3.45Å; E758-D762 PolarHBondContact O-N 2.99Å; E758-D762 VanDerWaalsContact O-N 3.1Å
759	R	84.3	Confident	80.1	Confident	150 Å²	150	66.9 Å²	66.9	57%	0.566	33%	0.333	S	S	*	.	H	α-helix	trans	-65.4	-38.1	175.9	-67.7	-174.7	66.3	-170.3	-0.9	112	T753 N756 L761 D762 W763	T753-R759 HydrophobicContact CG2-CB 3.85Å; T753-R759 WeakPolarHBondContact CG2-O 3.28Å; N756-R759 HydrophobicContact CB-CB 4.18Å; N756-R759 HydrophobicContact CB-CG 4.39Å; N756-R759 PolarHBondContact OD1-N 3.04Å; N756-R759 VanDerWaalsContact OD1-N 3.12Å; R759-L761 VanDerWaalsContact C-N 3.32Å; R759-D762 PolarHBondContact O-N 3.41Å; R759-W763 WeakPolarHBondContact O-CB 3.38Å; R759-W763 PolarHBondContact O-N 3.03Å
760	A	83.6	Confident	78.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-42.1	178.1	0	0	0	0	0	111.2	I736 A749 L750 T753 N756 L757 E758 W763 I764	I736-A760 HydrophobicContact CD1-CB 4.08Å; A749-A760 HydrophobicContact CB-CB 4.05Å; L750-A760 HydrophobicContact CD2-CB 3.6Å; L750-A760 HydrophobicContact CG-CB 3.98Å; T753-A760 WeakPolarHBondContact OG1-CA 3.43Å; T753-A760 WeakPolarHBondContact OG1-CB 2.88Å; T753-A760 PolarHBondContact OG1-N 3.15Å; N756-A760 VanDerWaalsContact O-CB 3.23Å; N756-A760 WeakPolarHBondContact O-CB 3.47Å; N756-A760 PolarHBondContact O-N 2.82Å; L757-A760 PolarHBondContact O-N 3.49Å; E758-A760 VanDerWaalsContact C-N 3.34Å; E758-A760 PolarHBondContact O-N 3.37Å; A760-W763 PolarHBondContact O-N 2.97Å; A760-I764 VanDerWaalsContact O-CG1 3.28Å; A760-I764 WeakPolarHBondContact O-CG1 3.48Å; A760-I764 PolarHBondContact O-N 3.22Å
761	L	80.5	Confident	76.5	Confident	18 Å²	18	75 Å²	75	9%	0.094	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-49.4	173.8	-69.8	172.6	0	0	0	110.9	I736 M739 L757 E758 R759 W763 I764 F765	I736-L761 HydrophobicContact CG1-CD2 4Å; I736-L761 HydrophobicContact CG2-CD2 4.43Å; M739-L761 HydrophobicContact CE-CD1 4.01Å; M739-L761 HydrophobicContact SD-CD1 3.91Å; M739-L761 HydrophobicContact SD-CD2 3.47Å; M739-L761 WeakPolarHBondContact SD-CD2 3.49Å; M739-L761 HydrophobicContact SD-CG 4.36Å; L757-L761 HydrophobicContact CD1-CD1 4.06Å; L757-L761 HydrophobicContact CD1-CG 4.15Å; L757-L761 HydrophobicContact CG-CD1 4.34Å; L757-L761 WeakPolarHBondContact O-CG 3.3Å; L757-L761 PolarHBondContact O-N 3.01Å; E758-L761 PolarHBondContact O-N 3.45Å; R759-L761 VanDerWaalsContact C-N 3.32Å; L761-W763 PolarHBondContact O-N 2.83Å; L761-I764 PolarHBondContact O-N 2.94Å; L761-I764 VanDerWaalsContact O-N 3.15Å; L761-F765 WeakPolarHBondContact O-CD2 3.47Å; L761-F765 PolarHBondContact O-N 3.1Å; L761-F765 VanDerWaalsContact O-N 3.07Å
762	D	81.6	Confident	74.5	Confident	80 Å²	80	71.4 Å²	71.4	43%	0.428	36%	0.36	S	S	.	.	H	α-helix	trans	-59.8	-36.5	177.2	-71.8	-17.5	0	0	0	112.5	R461 E758 R759 S766	R461-D762 IonicContact CZ-OD1 2.73Å; R461-D762 IonicContact NH2-OD1 3.84Å; R461-D762 PolarHBondContact NH2-OD1 3.3Å; E758-D762 PolarHBondContact O-N 2.99Å; E758-D762 VanDerWaalsContact O-N 3.1Å; R759-D762 PolarHBondContact O-N 3.41Å; D762-S766 WeakPolarHBondContact O-CB 3.21Å; D762-S766 PolarHBondContact O-N 2.81Å; D762-S766 PolarHBondContact O-OG 2.92Å
763	W	83.9	Confident	72.3	Confident	50 Å²	50	74.1 Å²	74.1	19%	0.189	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-44.9	175.6	-168.3	89.3	0	0	0	111.6	Q748 A749 A752 T753 R759 A760 L761 F765 S766 H767 F770	Q748-W763 HydrophobicContact CG-CH2 4.25Å; Q748-W763 HydrophobicContact CG-CZ3 4.49Å; A749-W763 HydrophobicContact CB-CE3 3.72Å; A749-W763 HydrophobicContact CB-CZ3 4.33Å; A752-W763 HydrophobicContact CB-CD2 4.13Å; A752-W763 HydrophobicContact CB-CG 4.29Å; A752-W763 HydrophobicContact CB-CZ2 4.3Å; T753-W763 HydrophobicContact CG2-CB 3.81Å; T753-W763 HydrophobicContact CG2-CG 4.2Å; R759-W763 WeakPolarHBondContact O-CB 3.38Å; R759-W763 PolarHBondContact O-N 3.03Å; A760-W763 PolarHBondContact O-N 2.97Å; L761-W763 PolarHBondContact O-N 2.83Å; W763-F765 PolarHBondContact O-N 2.89Å; W763-S766 WeakPolarHBondContact CA-OG 3.31Å; W763-S766 PolarHBondContact O-N 2.86Å; W763-S766 PolarHBondContact O-OG 3.38Å; W763-H767 AromaticContact CD1-CE1 3.75Å; W763-H767 AromaticContact CD1-ND1 3.85Å; W763-H767 AromaticContact CD2-ND1 3.95Å; W763-H767 AromaticContact CE2-CG 3.89Å; W763-H767 AromaticContact CE2-ND1 3.8Å; W763-H767 HydrophobicContact CE3-CB 4.42Å; W763-H767 HydrophobicContact CH2-CB 4.18Å; W763-H767 HydrophobicContact CZ2-CB 4.28Å; W763-H767 AromaticContact CZ2-CG 3.97Å; W763-H767 HydrophobicContact CZ3-CB 4.26Å; W763-H767 AromaticContact NE1-CE1 3.51Å; W763-H767 AromaticContact NE1-ND1 3.71Å; W763-H767 AromaticContact NE1-NE2 3.8Å; W763-H767 WeakPolarHBondContact O-CB 3.39Å; W763-H767 PolarHBondContact O-N 3.04Å; W763-H767 PolarHBondContact O-ND1 2.96Å; W763-F770 AromaticContact CH2-CD2 3.97Å; W763-F770 HydrophobicContact CH2-CD2 3.97Å; W763-F770 AromaticContact CH2-CE2 3.91Å; W763-F770 HydrophobicContact CH2-CE2 3.91Å; W763-F770 HydrophobicContact CZ2-CE2 4.36Å
764	I	83	Confident	70	Confident	2 Å²	2	75.7 Å²	75.7	1%	0.01	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-46.9	177.5	-68.6	165.4	0	0	0	111	I736 F741 Q745 A749 A760 L761 S766 H767	I736-I764 HydrophobicContact CD1-CD1 4.39Å; I736-I764 HydrophobicContact CG2-CD1 3.49Å; I736-I764 VanDerWaalsContact CG2-CD1 3.49Å; F741-I764 HydrophobicContact CD1-CG2 3.56Å; F741-I764 HydrophobicContact CD2-CG2 4.38Å; F741-I764 HydrophobicContact CE1-CG2 3.33Å; F741-I764 HydrophobicContact CE2-CG2 4.19Å; F741-I764 HydrophobicContact CG-CG2 4.08Å; F741-I764 HydrophobicContact CZ-CG2 3.68Å; Q745-I764 HydrophobicContact CG-CG1 4.4Å; Q745-I764 HydrophobicContact CG-CG2 4.47Å; A749-I764 HydrophobicContact CB-CD1 3.62Å; A749-I764 HydrophobicContact CB-CG1 3.35Å; A760-I764 VanDerWaalsContact O-CG1 3.28Å; A760-I764 WeakPolarHBondContact O-CG1 3.48Å; A760-I764 PolarHBondContact O-N 3.22Å; L761-I764 PolarHBondContact O-N 2.94Å; L761-I764 VanDerWaalsContact O-N 3.15Å; I764-S766 VanDerWaalsContact C-N 3.3Å; I764-S766 PolarHBondContact O-N 3.48Å; I764-H767 CarbonylContact O-C 3.58Å; I764-H767 PolarHBondContact O-N 3.39Å
765	F	76.9	Confident	67.7	Low	52 Å²	52	74.5 Å²	74.5	23%	0.228	37%	0.371	C	S	.	.	H	α-helix	trans	-70	-26.5	-179.5	-72.7	-70.3	0	0	0	113.5	E460 R461 F741 L761 W763	E460-F765 HydrophobicContact CG-CD1 4.03Å; E460-F765 HydrophobicContact CG-CE1 4.07Å; E460-F765 WeakPolarHBondContact O-CE1 3.09Å; R461-F765 HydrophobicContact CB-CE2 4.4Å; R461-F765 HydrophobicContact CB-CZ 4.22Å; R461-F765 HydrophobicContact CG-CD2 4.23Å; R461-F765 HydrophobicContact CG-CE2 3.55Å; R461-F765 HydrophobicContact CG-CZ 3.77Å; F741-F765 HydrophobicContact CE2-CE2 4.22Å; F741-F765 AromaticContact CE2-CZ 3.84Å; F741-F765 HydrophobicContact CE2-CZ 3.84Å; F741-F765 HydrophobicContact CZ-CD1 4.43Å; F741-F765 AromaticContact CZ-CE1 3.68Å; F741-F765 HydrophobicContact CZ-CE1 3.68Å; F741-F765 HydrophobicContact CZ-CE2 4.04Å; F741-F765 AromaticContact CZ-CZ 3.42Å; F741-F765 HydrophobicContact CZ-CZ 3.42Å; F741-F765 VanDerWaalsContact CZ-CZ 3.42Å; L761-F765 WeakPolarHBondContact O-CD2 3.47Å; L761-F765 PolarHBondContact O-N 3.1Å; L761-F765 VanDerWaalsContact O-N 3.07Å; W763-F765 PolarHBondContact O-N 2.89Å
766	S	79.1	Confident	65.3	Low	76 Å²	76	79.7 Å²	79.7	53%	0.531	39%	0.391	S	S	.	.	H	α-helix	trans	-86	-13.1	176	51.9	0	0	0	0	113.8	D762 W763 I764 P768	D762-S766 WeakPolarHBondContact O-CB 3.21Å; D762-S766 PolarHBondContact O-N 2.81Å; D762-S766 PolarHBondContact O-OG 2.92Å; W763-S766 WeakPolarHBondContact CA-OG 3.31Å; W763-S766 PolarHBondContact O-N 2.86Å; W763-S766 PolarHBondContact O-OG 3.38Å; I764-S766 VanDerWaalsContact C-N 3.3Å; I764-S766 PolarHBondContact O-N 3.48Å; S766-P768 VanDerWaalsContact C-CD 3.41Å
767	H	75.6	Confident	62.9	Low	72 Å²	72	81.4 Å²	81.4	33%	0.333	40%	0.404	S	S	.	.			trans	-127.9	60.6	179.7	-59.1	71.9	0	0	0	111.5	W763 I764 E769 F770	W763-H767 AromaticContact CD1-CE1 3.75Å; W763-H767 AromaticContact CD1-ND1 3.85Å; W763-H767 AromaticContact CD2-ND1 3.95Å; W763-H767 AromaticContact CE2-CG 3.89Å; W763-H767 AromaticContact CE2-ND1 3.8Å; W763-H767 HydrophobicContact CE3-CB 4.42Å; W763-H767 HydrophobicContact CH2-CB 4.18Å; W763-H767 HydrophobicContact CZ2-CB 4.28Å; W763-H767 AromaticContact CZ2-CG 3.97Å; W763-H767 HydrophobicContact CZ3-CB 4.26Å; W763-H767 AromaticContact NE1-CE1 3.51Å; W763-H767 AromaticContact NE1-ND1 3.71Å; W763-H767 AromaticContact NE1-NE2 3.8Å; W763-H767 WeakPolarHBondContact O-CB 3.39Å; W763-H767 PolarHBondContact O-N 3.04Å; W763-H767 PolarHBondContact O-ND1 2.96Å; I764-H767 CarbonylContact O-C 3.58Å; I764-H767 PolarHBondContact O-N 3.39Å; H767-E769 PolarHBondContact O-N 3.46Å; H767-F770 HydrophobicContact CB-CD2 4.13Å; H767-F770 HydrophobicContact CB-CE2 4.37Å
768	P	59.8	Low	60.7	Low	60 Å²	60	85.6 Å²	85.6	39%	0.39	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-68.1	-18.6	-179.5	29.9	-35.5	0	0	0	113.2	S766 F770 E771	S766-P768 VanDerWaalsContact C-CD 3.41Å; P768-F770 PolarHBondContact O-N 3.34Å; P768-E771 WeakPolarHBondContact O-CB 3.32Å; P768-E771 PolarHBondContact O-N 2.7Å
769	E	52.1	Low	58.2	Low	162 Å²	162	87 Å²	87	76%	0.757	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-58.3	-24.1	-175.3	-53.5	-177.6	-164.9	0	0	113.2	H767 E771	H767-E769 PolarHBondContact O-N 3.46Å; E769-E771 VanDerWaalsContact C-N 3.29Å; E769-E771 PolarHBondContact O-N 2.7Å
770	F	50.5	Low	55.7	Low	84 Å²	84	87.9 Å²	87.9	37%	0.368	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-76.9	-6.4	175.6	-69.6	-79.4	0	0	0	114.5	W763 H767 P768	W763-F770 AromaticContact CH2-CD2 3.97Å; W763-F770 HydrophobicContact CH2-CD2 3.97Å; W763-F770 AromaticContact CH2-CE2 3.91Å; W763-F770 HydrophobicContact CH2-CE2 3.91Å; W763-F770 HydrophobicContact CZ2-CE2 4.36Å; H767-F770 HydrophobicContact CB-CD2 4.13Å; H767-F770 HydrophobicContact CB-CE2 4.37Å; P768-F770 PolarHBondContact O-N 3.34Å
771	E	45.5	Very low	53.3	Low	86 Å²	86	96.5 Å²	96.5	40%	0.402	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-66.5	-38.9	172.3	-75	-169	162	0	0	111.3	P768 E769 S774	P768-E771 WeakPolarHBondContact O-CB 3.32Å; P768-E771 PolarHBondContact O-N 2.7Å; E769-E771 VanDerWaalsContact C-N 3.29Å; E769-E771 PolarHBondContact O-N 2.7Å; E771-S774 PolarHBondContact O-OG 3.09Å
772	E	41.9	Very low	51.2	Low	87 Å²	87	102.7 Å²	102.7	41%	0.407	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-30.5	-168.5	-61.7	-168.6	169.2	0	0	113.9	S774 E795	E772-S774 PolarHBondContact O-N 2.98Å; E772-E795 PolarHBondContact OE2-N 3.41Å
773	D	39	Very low	49	Very low	111 Å²	111	106 Å²	106	59%	0.594	54%	0.536	S	S	*	.	H	α-helix	trans	-65.8	-25.6	-179.4	-83.5	-19.8	0	0	0	112.6	V777	D773-V777 WeakPolarHBondContact O-CG2 3.39Å
774	S	36.5	Very low	46.6	Very low	39 Å²	39	108.2 Å²	108.2	27%	0.273	57%	0.565	S	S	.	*	H	α-helix	trans	-77.7	-29.6	-175.5	68.1	0	0	0	0	114.5	E771 E772	E771-S774 PolarHBondContact O-OG 3.09Å; E772-S774 PolarHBondContact O-N 2.98Å
775	D	35.8	Very low	44.2	Very low	116 Å²	116	115.7 Å²	115.7	62%	0.62	61%	0.605	S	S	*	*	H	α-helix	trans	-78	-24.5	175.5	-83.4	-12.4	0	0	0	111.7
776	F	32.7	Very low	42.1	Very low	168 Å²	168	117.2 Å²	117.2	74%	0.737	63%	0.627	S	S	*	*	H	α-helix	trans	-76.4	-25.7	-179.2	-128.1	-90.8	0	0	0	113.8
777	V	35.3	Very low	39.9	Very low	106 Å²	106	120.8 Å²	120.8	64%	0.642	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-18.9	-175	-142.7	0	0	0	0	113.4	D773	D773-V777 WeakPolarHBondContact O-CG2 3.39Å
778	I	35.1	Very low	37.7	Very low	139 Å²	139	125 Å²	125	71%	0.713	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-21.4	-174.7	-60.9	178.4	0	0	0	112.4
779	E	29.5	Very low	36.3	Very low	168 Å²	168	130 Å²	130	79%	0.785	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-86.3	-9	179.9	-69.6	-162.2	154.3	0	0	114.8	E781	E779-E781 PolarHBondContact O-N 3.47Å
780	M	31.5	Very low	35.2	Very low	169 Å²	169	126.9 Å²	126.9	83%	0.833	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-80.1	-9.5	-178.5	-96.5	-173.3	152.6	0	0	115.5
781	E	33.9	Very low	34.3	Very low	182 Å²	182	132.3 Å²	132.3	85%	0.85	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-87.8	-5	177.8	-80.4	-167.3	157.1	0	0	114.7	E779	E779-E781 PolarHBondContact O-N 3.47Å
782	N	36.7	Very low	33.5	Very low	147 Å²	147	132.4 Å²	132.4	79%	0.786	72%	0.723	S	S	*	*	S	Bend	trans	-131.7	14.5	-169.2	-92.6	-30.4	0	0	0	118.7
783	N	34	Very low	33	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	74%	0.743	S	S	*	*			trans	-143.6	98.1	170.1	-107.2	-24.7	0	0	0	114.3	N785	N783-N785 VanDerWaalsContact C-N 3.32Å; N783-N785 PolarHBondContact O-N 3.17Å
784	A	34.8	Very low	32.9	Very low	97 Å²	97	137.4 Å²	137.4	80%	0.802	75%	0.75	S	S	*	*			trans	-72	87.1	158.2	0	0	0	0	0	109.3
785	N	32.1	Very low	33.3	Very low	158 Å²	158	143.2 Å²	143.2	85%	0.845	77%	0.773	S	S	*	*			trans	-166	115.2	149.3	-92.7	-30.7	0	0	0	110.4	N783	N783-N785 VanDerWaalsContact C-N 3.32Å; N783-N785 PolarHBondContact O-N 3.17Å
786	A	33.5	Very low	34.4	Very low	85 Å²	85	140.3 Å²	140.3	70%	0.702	77%	0.77	S	S	*	*			trans	-76.7	160.9	-177.2	0	0	0	0	0	113.7
787	N	31.6	Very low	36.3	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	75%	0.753	S	S	*	*			trans	92	89.3	157.8	-56.9	-25.8	0	0	0	117.3
788	I	30.7	Very low	38.5	Very low	162 Å²	162	138.7 Å²	138.7	83%	0.831	76%	0.755	S	S	*	*				-171.2	103.2	111.2	-80.8	146.2	0	0	0	105.1
789	I	30.7	Very low	41	Very low	165 Å²	165	134.2 Å²	134.2	85%	0.846	73%	0.734	S	S	*	*			trans	-101.3	100.6	170	-61.4	173.4	0	0	0	105.7
790	S	28.3	Very low	43.8	Very low	95 Å²	95	130.1 Å²	130.1	66%	0.664	71%	0.714	S	S	*	*			trans	-74.3	126.2	154.1	50.5	0	0	0	0	107.1	A792	S790-A792 VanDerWaalsContact C-N 3.33Å; S790-A792 PolarHBondContact O-N 3.12Å
791	E	31.6	Very low	46.8	Very low	198 Å²	198	125.8 Å²	125.8	93%	0.925	69%	0.694	S	S	*	*			trans	-55.2	93.3	169.9	-68.2	172.2	158.1	0	0	109.8
792	A	28.4	Very low	49.6	Very low	88 Å²	88	118.2 Å²	118.2	73%	0.727	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-90.9	116.8	166.7	0	0	0	0	0	107.1	S790	S790-A792 VanDerWaalsContact C-N 3.33Å; S790-A792 PolarHBondContact O-N 3.12Å
793	K	31.1	Very low	52.3	Low	191 Å²	191	112.4 Å²	112.4	83%	0.83	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-57.7	146.9	166	-78	-178.9	171.8	-174	0	109	E795	K793-E795 PolarHBondContact O-N 2.92Å
794	P	37.7	Very low	55.2	Low	113 Å²	113	105.3 Å²	105.3	73%	0.734	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-53.2	139.5	172.5	22.2	-31.3	0	0	0	110	G796	P794-G796 PolarHBondContact O-N 3.1Å
795	E	44	Very low	58.2	Low	161 Å²	161	102.7 Å²	102.7	75%	0.752	57%	0.572	S	S	*	*			trans	-70.9	114.5	-177.2	-79.9	-169.1	161.8	0	0	108.2	E772 K793	E772-E795 PolarHBondContact OE2-N 3.41Å; K793-E795 PolarHBondContact O-N 2.92Å
796	G	60.4	Low	61.3	Low	54 Å²	54	95.2 Å²	95.2	56%	0.557	53%	0.532	S	S	*	.			trans	-64.3	175.2	179.1	0	0	0	0	0	113.3	P794 R798	P794-G796 PolarHBondContact O-N 3.1Å; G796-R798 PolarHBondContact O-N 3.05Å
797	P	72.4	Confident	64.3	Low	60 Å²	60	94.8 Å²	94.8	39%	0.39	52%	0.515	S	S	.	.	S	Bend	trans	-54	136.2	-179.6	22.3	-33.7	0	0	0	112	L476 V495 V799	L476-P797 HydrophobicContact CD2-CG 4.03Å; V495-P797 HydrophobicContact CG2-CB 3.98Å; V495-P797 HydrophobicContact CG2-CG 3.58Å; P797-V799 PolarHBondContact O-N 3.43Å
798	R	79.9	Confident	67.5	Low	180 Å²	180	87.7 Å²	87.7	68%	0.679	48%	0.477	S	S	*	.			trans	-57.9	112.3	-178.5	-66.7	-177	-178.7	174.6	2.8	111.1	S466 R474 G796	S466-R798 PolarHBondContact O-NH1 3.04Å; R474-R798 PolarHBondContact NH1-O 3.06Å; R474-R798 VanDerWaalsContact NH1-O 3.15Å; G796-R798 PolarHBondContact O-N 3.05Å
799	V	88.1	Confident	70.6	Confident	46 Å²	46	81.2 Å²	81.2	28%	0.279	44%	0.443	S	S	.	.			trans	-131.2	141.6	177.4	-69.1	0	0	0	0	111.5	R474 L476 P797 D801	R474-V799 HydrophobicContact CG-CG1 3.98Å; L476-V799 HydrophobicContact CD1-CG2 3.99Å; L476-V799 HydrophobicContact CG-CG1 4.09Å; L476-V799 HydrophobicContact CG-CG2 4.31Å; P797-V799 PolarHBondContact O-N 3.43Å; V799-D801 PolarHBondContact O-N 2.86Å
800	K	88.9	Confident	73.8	Confident	81 Å²	81	73.3 Å²	73.3	35%	0.352	40%	0.403	S	S	.	.			trans	-97	84.5	179.3	-66.9	-175.9	-177	179.4	0	111.3	E579 R860	E579-K800 IonicContact OE2-NZ 3.43Å; E579-K800 PolarHBondContact OE2-NZ 3.08Å; E579-K800 VanDerWaalsContact OE2-NZ 3.1Å; K800-R860 PolarHBondContact O-NH1 3.47Å
801	D	93	Very high	77.1	Confident	79 Å²	79	68.8 Å²	68.8	42%	0.422	37%	0.371	S	S	.	.			trans	-73	154.5	-179.4	-161.6	20.4	0	0	0	113.5	S576 F577 R615 V799	S576-D801 WeakPolarHBondContact CA-OD1 3.41Å; F577-D801 PolarHBondContact N-OD1 2.9Å; R615-D801 IonicContact CZ-OD1 3.48Å; R615-D801 IonicContact CZ-OD2 3.67Å; R615-D801 IonicContact NH1-OD1 3.75Å; R615-D801 PolarHBondContact NH1-OD1 3.01Å; R615-D801 IonicContact NH1-OD2 3.63Å; R615-D801 PolarHBondContact NH1-OD2 3.42Å; R615-D801 VanDerWaalsContact NH2-CG 3.33Å; R615-D801 IonicContact NH2-OD1 2.84Å; R615-D801 PolarHBondContact NH2-OD1 3.4Å; R615-D801 IonicContact NH2-OD2 3.89Å; R615-D801 PolarHBondContact NH2-OD2 3.29Å; V799-D801 PolarHBondContact O-N 2.86Å
802	G	92.7	Very high	80.3	Confident	22 Å²	22	59.4 Å²	59.4	23%	0.227	33%	0.327	C	S	.	.			trans	-171.2	-167.3	-179.2	0	0	0	0	0	114	R615	R615-G802 PolarHBondContact NH2-O 3.29Å
803	S	94.6	Very high	83.4	Confident	26 Å²	26	55.2 Å²	55.2	18%	0.182	29%	0.292	C	S	.	.			trans	-65.4	146.4	174.4	55.8	0	0	0	0	111.7	T805 R860 I861	S803-T805 PolarHBondContact O-N 3.12Å; S803-T805 VanDerWaalsContact O-N 3.13Å; S803-T805 PolarHBondContact OG-OG1 3.37Å; S803-T805 VanDerWaalsContact OG-OG1 3.1Å; S803-R860 WeakPolarHBondContact O-CD 3.33Å; S803-R860 WeakPolarHBondContact O-CG 3.42Å; S803-I861 PolarHBondContact OG-O 2.85Å
804	G	94.6	Very high	86.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-80.6	27.2	174.9	0	0	0	0	0	114	I611 N612	I611-G804 WeakPolarHBondContact CG1-O 3.37Å; I611-G804 PolarHBondContact N-O 3.28Å; N612-G804 WeakPolarHBondContact OD1-CA 3.21Å; N612-G804 PolarHBondContact OD1-N 2.83Å
805	T	97.1	Very high	88.2	Confident	42 Å²	42	41.2 Å²	41.2	26%	0.258	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.4	-179.5	50.5	0	0	0	0	110.5	L609 N612 S803 I861	L609-T805 CarbonylContact O-C 3.53Å; L609-T805 WeakPolarHBondContact O-CA 3.46Å; N612-T805 WeakPolarHBondContact ND2-CG2 3.32Å; S803-T805 PolarHBondContact O-N 3.12Å; S803-T805 VanDerWaalsContact O-N 3.13Å; S803-T805 PolarHBondContact OG-OG1 3.37Å; S803-T805 VanDerWaalsContact OG-OG1 3.1Å; T805-I861 PolarHBondContact O-N 2.92Å
806	Y	97.7	Very high	89.2	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	156.8	-174.1	-57.4	-99.5	0	0	0	112.9	F577 P578 L581 L608 L609 I611 H859 R860	F577-Y806 VanDerWaalsContact CB-OH 3.26Å; F577-Y806 WeakPolarHBondContact CB-OH 3.29Å; P578-Y806 VanDerWaalsContact CD-OH 3.31Å; P578-Y806 WeakPolarHBondContact CD-OH 3.16Å; P578-Y806 WeakPolarHBondContact O-CE1 3.49Å; P578-Y806 PolarHBondContact O-OH 2.89Å; L581-Y806 HydrophobicContact CB-CD1 4.02Å; L581-Y806 HydrophobicContact CB-CE1 3.61Å; L581-Y806 HydrophobicContact CD2-CD2 4.49Å; L581-Y806 HydrophobicContact CD2-CE2 4.22Å; L608-Y806 CarbonylContact C-O 3.58Å; L608-Y806 WeakPolarHBondContact CA-O 3.43Å; L609-Y806 PolarHBondContact N-O 2.84Å; L609-Y806 PolarHBondContact O-N 2.89Å; I611-Y806 HydrophobicContact CD1-CD2 4.47Å; I611-Y806 HydrophobicContact CD1-CE2 3.81Å; I611-Y806 HydrophobicContact CG1-CD2 4.3Å; I611-Y806 HydrophobicContact CG1-CE2 3.86Å; Y806-H859 CarbonylContact C-O 3.59Å; Y806-H859 VanDerWaalsContact CA-O 3.29Å; Y806-H859 WeakPolarHBondContact CA-O 3.41Å; Y806-R860 HydrophobicContact CD1-CB 3.89Å; Y806-R860 HydrophobicContact CE1-CB 3.78Å; Y806-R860 HydrophobicContact CE1-CG 4.32Å
807	E	97.3	Very high	89.5	Confident	76 Å²	76	36.4 Å²	36.4	36%	0.355	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.5	167.5	-173.2	-178.2	-171.7	0	0	109.9	D607 L608 F809 K829 Y858 H859 I861	D607-E807 CarbonylContact O-C 3.54Å; D607-E807 VanDerWaalsContact O-CA 3.28Å; D607-E807 WeakPolarHBondContact O-CA 3.37Å; L608-E807 HydrophobicContact CD2-CB 4.26Å; L608-E807 HydrophobicContact CD2-CG 4.31Å; E807-F809 PolarHBondContact O-N 2.89Å; E807-K829 IonicContact OE1-NZ 2.73Å; E807-K829 PolarHBondContact OE1-NZ 3.14Å; E807-Y858 CarbonylContact O-C 3.6Å; E807-Y858 WeakPolarHBondContact O-CA 3.42Å; E807-H859 PolarHBondContact N-O 3.01Å; E807-H859 PolarHBondContact O-N 3.21Å; E807-I861 HydrophobicContact CB-CD1 4.37Å; E807-I861 HydrophobicContact CB-CG1 4.22Å
808	L	97.5	Very high	89.3	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	119.6	175.7	-178.5	66.8	0	0	0	110.4	D607 W834 K850 Y856 Y858	D607-L808 PolarHBondContact O-N 3.25Å; L808-W834 HydrophobicContact CD2-CH2 3.82Å; L808-W834 HydrophobicContact CD2-CZ2 3.89Å; L808-W834 HydrophobicContact CG-CH2 3.87Å; L808-W834 HydrophobicContact CG-CZ2 4.17Å; L808-K850 HydrophobicContact CD2-CD 3.79Å; L808-K850 HydrophobicContact CD2-CG 4.22Å; L808-Y856 HydrophobicContact CD1-CD1 3.93Å; L808-Y858 HydrophobicContact CB-CD1 4.22Å; L808-Y858 HydrophobicContact CB-CE1 3.82Å; L808-Y858 HydrophobicContact CD1-CD1 4.46Å; L808-Y858 HydrophobicContact CD1-CD2 4.33Å; L808-Y858 HydrophobicContact CD1-CE1 4.09Å; L808-Y858 HydrophobicContact CD1-CE2 3.94Å
809	F	96.8	Very high	88.7	Confident	26 Å²	26	28.6 Å²	28.6	11%	0.114	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-47	-174.9	162.4	-102.2	0	0	0	112.4	S356 I357 Y580 E807 I828 K829 F857 H859	S356-F809 WeakPolarHBondContact O-CZ 3.01Å; I357-F809 HydrophobicContact CG1-CE1 3.91Å; I357-F809 HydrophobicContact CG1-CZ 4.2Å; Y580-F809 HydrophobicContact CD1-CD1 4.26Å; Y580-F809 AromaticContact CE1-CD1 3.85Å; Y580-F809 HydrophobicContact CE1-CD1 3.85Å; Y580-F809 HydrophobicContact CE1-CD2 4.36Å; Y580-F809 HydrophobicContact CE1-CE1 4.09Å; Y580-F809 AromaticContact CE1-CG 3.98Å; Y580-F809 HydrophobicContact CE1-CG 3.98Å; Y580-F809 HydrophobicContact CE1-CZ 4.42Å; E807-F809 PolarHBondContact O-N 2.89Å; F809-I828 HydrophobicContact CE2-CG2 4.39Å; F809-I828 HydrophobicContact CZ-CG2 4.2Å; F809-K829 WeakPolarHBondContact O-CB 3.42Å; F809-K829 PolarHBondContact O-N 2.9Å; F809-F857 WeakPolarHBondContact CA-O 3.44Å; F809-F857 WeakPolarHBondContact CB-O 3.34Å; F809-F857 HydrophobicContact CD1-CB 3.94Å; F809-F857 PolarHBondContact N-O 3.29Å; F809-H859 HydrophobicContact CB-CB 3.96Å
810	A	98.1	Very high	87.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	162.7	-179.6	0	0	0	0	0	111.4	H827 I828 F857	A810-H827 CarbonylContact C-O 3.59Å; A810-H827 WeakPolarHBondContact CA-O 3.39Å; A810-H827 WeakPolarHBondContact CB-O 3.44Å; A810-I828 HydrophobicContact CB-CB 4.3Å; A810-I828 HydrophobicContact CB-CG1 3.91Å; A810-I828 HydrophobicContact CB-CG2 4.27Å; A810-F857 HydrophobicContact CB-CB 4.17Å; A810-F857 HydrophobicContact CB-CD2 4.29Å; A810-F857 PolarHBondContact N-O 3.48Å; A810-F857 VanDerWaalsContact N-O 3.15Å; A810-F857 PolarHBondContact O-N 3.29Å
811	F	98.1	Very high	86.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.3	167.8	64.1	-86.6	0	0	0	111.6	S813 C826 H827 W834 P848 P849 K850 M855 Y856	F811-S813 WeakPolarHBondContact CE2-OG 3.29Å; F811-C826 WeakPolarHBondContact O-CA 3.43Å; F811-C826 PolarHBondContact O-SG 3.32Å; F811-H827 HydrophobicContact CD1-CB 3.89Å; F811-H827 HydrophobicContact CD2-CB 4.31Å; F811-H827 HydrophobicContact CE1-CB 3.4Å; F811-H827 HydrophobicContact CE2-CB 3.88Å; F811-H827 AromaticContact CE2-CG 3.85Å; F811-H827 AromaticContact CE2-ND1 3.49Å; F811-H827 WeakPolarHBondContact CE2-ND1 3.39Å; F811-H827 HydrophobicContact CG-CB 4.31Å; F811-H827 HydrophobicContact CZ-CB 3.39Å; F811-H827 AromaticContact CZ-CG 3.47Å; F811-H827 VanDerWaalsContact CZ-CG 3.47Å; F811-H827 AromaticContact CZ-ND1 3.57Å; F811-H827 PolarHBondContact N-O 2.92Å; F811-H827 PolarHBondContact O-N 2.82Å; F811-W834 AromaticContact CD1-CH2 3.89Å; F811-W834 HydrophobicContact CD1-CH2 3.89Å; F811-W834 AromaticContact CD1-CZ3 3.73Å; F811-W834 HydrophobicContact CD1-CZ3 3.73Å; F811-W834 HydrophobicContact CE1-CE3 4.15Å; F811-W834 AromaticContact CE1-CH2 3.92Å; F811-W834 HydrophobicContact CE1-CH2 3.92Å; F811-W834 AromaticContact CE1-CZ3 3.63Å; F811-W834 HydrophobicContact CE1-CZ3 3.63Å; F811-P848 HydrophobicContact CE1-CB 4.1Å; F811-P848 HydrophobicContact CZ-CB 3.97Å; F811-P849 HydrophobicContact CE2-CG 4.23Å; F811-P849 HydrophobicContact CZ-CG 4.34Å; F811-K850 HydrophobicContact CE1-CG 3.89Å; F811-K850 HydrophobicContact CZ-CG 4.26Å; F811-M855 CarbonylContact C-O 3.56Å; F811-M855 WeakPolarHBondContact CA-O 3.34Å; F811-M855 WeakPolarHBondContact CB-O 3.48Å; F811-Y856 HydrophobicContact CB-CD1 3.4Å; F811-Y856 HydrophobicContact CB-CE1 3.69Å; F811-Y856 HydrophobicContact CB-CG 4.01Å; F811-Y856 HydrophobicContact CD2-CE1 4.35Å; F811-Y856 HydrophobicContact CG-CD1 4.11Å; F811-Y856 AromaticContact CG-CE1 3.98Å; F811-Y856 HydrophobicContact CG-CE1 3.98Å
812	I	97.8	Very high	85.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.9	176.6	-62.5	172.4	0	0	0	107.6	V350 A448 Y824 I825 C826 Y854 M855 F857	V350-I812 HydrophobicContact CB-CD1 4.46Å; V350-I812 HydrophobicContact CG2-CD1 3.8Å; A448-I812 HydrophobicContact CB-CG2 4.22Å; I812-Y824 HydrophobicContact CG2-CD1 3.66Å; I812-Y824 HydrophobicContact CG2-CE1 4.26Å; I812-I825 WeakPolarHBondContact CA-O 3.41Å; I812-C826 HydrophobicContact CG1-CB 4.27Å; I812-Y854 WeakPolarHBondContact O-CA 3.35Å; I812-Y854 WeakPolarHBondContact O-CB 3.31Å; I812-Y854 PolarHBondContact O-N 2.75Å; I812-M855 HydrophobicContact CB-CB 4.34Å; I812-M855 PolarHBondContact N-O 3.47Å; I812-M855 PolarHBondContact O-N 3.26Å; I812-M855 VanDerWaalsContact O-N 3.14Å; I812-F857 HydrophobicContact CD1-CE2 3.85Å; I812-F857 HydrophobicContact CD1-CZ 4.28Å; I812-F857 HydrophobicContact CG1-CE2 4.14Å
813	S	94.3	Very high	84.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.9	179.9	-60.4	0	0	0	0	110.3	F811 Y824 I825	F811-S813 WeakPolarHBondContact CE2-OG 3.29Å; S813-Y824 WeakPolarHBondContact O-CA 3.36Å; S813-I825 PolarHBondContact N-O 3.15Å; S813-I825 PolarHBondContact O-N 2.93Å; S813-I825 VanDerWaalsContact O-N 3.14Å
814	H	88.8	Confident	84.6	Confident	10 Å²	10	25.1 Å²	25.1	5%	0.046	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.7	166.5	-178.8	-118.1	0	0	0	109.2	K598 S818 G822 Y824	K598-H814 PolarHBondContact NZ-ND1 3.18Å; K598-H814 PolarHBondContact NZ-O 2.88Å; H814-S818 PolarHBondContact CE1-O 2.92Å; H814-G822 VanDerWaalsContact NE2-CA 3.35Å; H814-G822 WeakPolarHBondContact NE2-CA 3.31Å; H814-Y824 HydrophobicContact CB-CD1 4.08Å; H814-Y824 HydrophobicContact CB-CE1 3.5Å; H814-Y824 VanDerWaalsContact CB-CE1 3.5Å; H814-Y824 AromaticContact CD2-CE1 3.85Å; H814-Y824 AromaticContact CD2-CE2 3.59Å; H814-Y824 AromaticContact CD2-CZ 3.46Å; H814-Y824 VanDerWaalsContact CD2-CZ 3.46Å; H814-Y824 AromaticContact CG-CE1 4Å; H814-Y824 AromaticContact CG-CZ 3.89Å
815	M	79.3	Confident	84.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.8	-180	-55.4	167.4	65.5	0	0	110.4	E316 W317 I320 Q321 G822 H823 I825	E316-M815 WeakPolarHBondContact OE1-CA 3.43Å; W317-M815 HydrophobicContact CB-CE 3.86Å; W317-M815 HydrophobicContact CD2-CE 3.55Å; W317-M815 HydrophobicContact CE3-CE 3.52Å; W317-M815 HydrophobicContact CG-CE 3.73Å; W317-M815 HydrophobicContact CZ3-CE 4.28Å; I320-M815 HydrophobicContact CB-CE 4.05Å; I320-M815 HydrophobicContact CB-CG 4.16Å; I320-M815 HydrophobicContact CB-SD 4.31Å; I320-M815 HydrophobicContact CD1-CB 4.44Å; I320-M815 HydrophobicContact CD1-CG 3.79Å; I320-M815 HydrophobicContact CG2-CE 4.09Å; I320-M815 HydrophobicContact CG2-CG 3.64Å; I320-M815 HydrophobicContact CG2-SD 3.7Å; Q321-M815 HydrophobicContact CG-CE 3.76Å; Q321-M815 HydrophobicContact CG-SD 4.27Å; M815-G822 CarbonylContact O-C 3.58Å; M815-G822 WeakPolarHBondContact O-CA 3.22Å; M815-H823 HydrophobicContact CB-CB 4.38Å; M815-H823 WeakPolarHBondContact CB-O 3.03Å; M815-H823 WeakPolarHBondContact CG-O 3.11Å; M815-H823 PolarHBondContact N-O 3.15Å; M815-H823 PolarHBondContact O-N 2.85Å; M815-H823 HydrophobicContact SD-CB 4.43Å; M815-I825 HydrophobicContact SD-CD1 4.31Å; M815-I825 HydrophobicContact SD-CG1 4.1Å; M815-I825 HydrophobicContact SD-CG2 3.95Å
816	G	66.6	Low	84.5	Confident	12 Å²	12	23.1 Å²	23.1	12%	0.124	13%	0.132	C	C	.	.	S	Bend	trans	119.8	154.8	175.6	0	0	0	0	0	113	E316 K598	E316-G816 VanDerWaalsContact CD-N 3.26Å; E316-G816 PolarHBondContact OE1-N 3.28Å; E316-G816 WeakPolarHBondContact OE2-CA 3.47Å; E316-G816 PolarHBondContact OE2-N 2.9Å; E316-G816 VanDerWaalsContact OE2-N 3.11Å; K598-G816 WeakPolarHBondContact CD-O 3.49Å; K598-G816 WeakPolarHBondContact CE-O 3.17Å; K598-G816 PolarHBondContact NZ-O 3.31Å
817	T	66.3	Low	84.5	Confident	102 Å²	102	23.1 Å²	23.1	63%	0.626	13%	0.132	S	C	*	.	S	Bend	trans	-89	-11	-173	54	0	0	0	0	114.1
818	S	67.6	Low	84.5	Confident	32 Å²	32	19.5 Å²	19.5	22%	0.224	12%	0.115	C	C	.	.			trans	-85.9	151.6	179.5	-179.3	0	0	0	0	111.7	H814 M820 S821	H814-S818 PolarHBondContact CE1-O 2.92Å; S818-M820 PolarHBondContact OG-N 3.43Å; S818-M820 VanDerWaalsContact OG-N 3.1Å; S818-S821 PolarHBondContact OG-N 3.32Å
819	T	67.4	Low	84.4	Confident	45 Å²	45	22 Å²	22	28%	0.276	13%	0.126	S	C	.	.	S	Bend	trans	-84.5	-23.8	169.1	49.1	0	0	0	0	112.5	F588 P596 K597 K598	F588-T819 HydrophobicContact CD1-CG2 3.86Å; F588-T819 HydrophobicContact CE1-CG2 4.29Å; P596-T819 HydrophobicContact CB-CG2 4.1Å; P596-T819 VanDerWaalsContact O-CG2 3.3Å; P596-T819 WeakPolarHBondContact O-CG2 3.38Å; P596-T819 PolarHBondContact O-OG1 2.93Å; K597-T819 VanDerWaalsContact C-CG2 3.43Å; K598-T819 HydrophobicContact CB-CG2 3.96Å
820	M	62.8	Low	84.2	Confident	112 Å²	112	22.3 Å²	22.3	55%	0.552	13%	0.127	S	C	*	.	S	Bend	trans	-94.2	-10.2	-176.1	-59.2	-172.9	71.5	0	0	112.9	S818	S818-M820 PolarHBondContact OG-N 3.43Å; S818-M820 VanDerWaalsContact OG-N 3.1Å
821	S	64.7	Low	83.8	Confident	21 Å²	21	29.8 Å²	29.8	15%	0.147	16%	0.162	C	C	.	.			trans	-156	150.3	179.9	57.1	0	0	0	0	114.5	S207 S818	S207-S821 VanDerWaalsContact OG-CB 3.31Å; S207-S821 WeakPolarHBondContact OG-CB 3.46Å; S207-S821 PolarHBondContact OG-OG 3Å; S818-S821 PolarHBondContact OG-N 3.32Å
822	G	71.1	Confident	83.2	Confident	14 Å²	14	32.9 Å²	32.9	14%	0.144	19%	0.194	C	C	.	.			trans	173.8	-164.7	171.8	0	0	0	0	0	111.5	Q445 H814 M815	Q445-G822 PolarHBondContact NE2-O 3.18Å; Q445-G822 PolarHBondContact OE1-O 3.23Å; H814-G822 VanDerWaalsContact NE2-CA 3.35Å; H814-G822 WeakPolarHBondContact NE2-CA 3.31Å; M815-G822 CarbonylContact O-C 3.58Å; M815-G822 WeakPolarHBondContact O-CA 3.22Å
823	H	82.1	Confident	83	Confident	23 Å²	23	37.5 Å²	37.5	11%	0.106	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136	179.1	-172.2	61.1	0	0	0	111.1	W317 C345 M815 N838 D839	W317-H823 HydrophobicContact CH2-CB 3.39Å; W317-H823 HydrophobicContact CZ2-CB 4.05Å; W317-H823 HydrophobicContact CZ3-CB 3.85Å; C345-H823 PolarHBondContact SG-ND1 2.84Å; M815-H823 HydrophobicContact CB-CB 4.38Å; M815-H823 WeakPolarHBondContact CB-O 3.03Å; M815-H823 WeakPolarHBondContact CG-O 3.11Å; M815-H823 PolarHBondContact N-O 3.15Å; M815-H823 PolarHBondContact O-N 2.85Å; M815-H823 HydrophobicContact SD-CB 4.43Å; H823-N838 PolarHBondContact NE2-OD1 3.3Å; H823-D839 IonicContact CE1-OD2 3.59Å; H823-D839 PolarHBondContact CE1-OD2 2.97Å
824	Y	90.2	Very high	83.1	Confident	11 Å²	11	38.8 Å²	38.8	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.7	179.5	-79.2	-74.9	0	0	0	111	C345 S349 Q446 D447 A448 I812 S813 H814 Y854	C345-Y824 PolarHBondContact SG-N 2.86Å; C345-Y824 VanDerWaalsContact SG-N 3.4Å; S349-Y824 VanDerWaalsContact OG-C 3.28Å; S349-Y824 PolarHBondContact OG-O 2.77Å; Q446-Y824 VanDerWaalsContact O-CE2 3.25Å; Q446-Y824 WeakPolarHBondContact O-CE2 3.47Å; D447-Y824 PolarHBondContact OD2-OH 3.02Å; A448-Y824 HydrophobicContact CB-CD1 3.92Å; A448-Y824 HydrophobicContact CB-CE1 3.53Å; A448-Y824 HydrophobicContact CB-CE2 4.41Å; A448-Y824 HydrophobicContact CB-CG 4.47Å; A448-Y824 PolarHBondContact N-OH 3.03Å; I812-Y824 HydrophobicContact CG2-CD1 3.66Å; I812-Y824 HydrophobicContact CG2-CE1 4.26Å; S813-Y824 WeakPolarHBondContact O-CA 3.36Å; H814-Y824 HydrophobicContact CB-CD1 4.08Å; H814-Y824 HydrophobicContact CB-CE1 3.5Å; H814-Y824 VanDerWaalsContact CB-CE1 3.5Å; H814-Y824 AromaticContact CD2-CE1 3.85Å; H814-Y824 AromaticContact CD2-CE2 3.59Å; H814-Y824 AromaticContact CD2-CZ 3.46Å; H814-Y824 VanDerWaalsContact CD2-CZ 3.46Å; H814-Y824 AromaticContact CG-CE1 4Å; H814-Y824 AromaticContact CG-CZ 3.89Å; Y824-Y854 AromaticContact CE1-CD1 3.88Å; Y824-Y854 HydrophobicContact CE1-CD1 3.88Å; Y824-Y854 HydrophobicContact CE1-CE1 4.38Å
825	I	93	Very high	83.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.1	168.6	65.3	157.6	0	0	0	110.1	I320 S349 I812 S813 M815 H827 I836 N838	I320-I825 HydrophobicContact CG2-CD1 3.28Å; I320-I825 HydrophobicContact CG2-CG1 3.82Å; I320-I825 WeakPolarHBondContact O-CD1 3.36Å; S349-I825 WeakPolarHBondContact OG-CA 3.4Å; S349-I825 PolarHBondContact OG-N 2.81Å; I812-I825 WeakPolarHBondContact CA-O 3.41Å; S813-I825 PolarHBondContact N-O 3.15Å; S813-I825 PolarHBondContact O-N 2.93Å; S813-I825 VanDerWaalsContact O-N 3.14Å; M815-I825 HydrophobicContact SD-CD1 4.31Å; M815-I825 HydrophobicContact SD-CG1 4.1Å; M815-I825 HydrophobicContact SD-CG2 3.95Å; I825-H827 VanDerWaalsContact CD1-CE1 3.46Å; I825-H827 WeakPolarHBondContact CD1-CE1 3.26Å; I825-I836 HydrophobicContact CD1-CD1 3.59Å; I825-I836 HydrophobicContact CD1-CG1 4.02Å; I825-N838 HydrophobicContact CG2-CB 3.85Å
826	C	96.5	Very high	84.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.3	177.5	-172.6	0	0	0	0	111.4	F811 I812 I828 Y837	F811-C826 WeakPolarHBondContact O-CA 3.43Å; F811-C826 PolarHBondContact O-SG 3.32Å; I812-C826 HydrophobicContact CG1-CB 4.27Å; C826-I828 WeakPolarHBondContact SG-CG1 3.3Å; C826-Y837 PolarHBondContact N-O 3.02Å; C826-Y837 PolarHBondContact O-N 3.33Å
827	H	97.8	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.1	168.9	-73.2	87.5	0	0	0	109	I320 A810 F811 I825 W834 V835	I320-H827 PolarHBondContact O-CE1 2.89Å; A810-H827 CarbonylContact C-O 3.59Å; A810-H827 WeakPolarHBondContact CA-O 3.39Å; A810-H827 WeakPolarHBondContact CB-O 3.44Å; F811-H827 HydrophobicContact CD1-CB 3.89Å; F811-H827 HydrophobicContact CD2-CB 4.31Å; F811-H827 HydrophobicContact CE1-CB 3.4Å; F811-H827 HydrophobicContact CE2-CB 3.88Å; F811-H827 AromaticContact CE2-CG 3.85Å; F811-H827 AromaticContact CE2-ND1 3.49Å; F811-H827 WeakPolarHBondContact CE2-ND1 3.39Å; F811-H827 HydrophobicContact CG-CB 4.31Å; F811-H827 HydrophobicContact CZ-CB 3.39Å; F811-H827 AromaticContact CZ-CG 3.47Å; F811-H827 VanDerWaalsContact CZ-CG 3.47Å; F811-H827 AromaticContact CZ-ND1 3.57Å; F811-H827 PolarHBondContact N-O 2.92Å; F811-H827 PolarHBondContact O-N 2.82Å; I825-H827 VanDerWaalsContact CD1-CE1 3.46Å; I825-H827 WeakPolarHBondContact CD1-CE1 3.26Å; H827-W834 HydrophobicContact CB-CE3 3.95Å; H827-W834 HydrophobicContact CB-CZ3 4.05Å; H827-V835 WeakPolarHBondContact CA-O 3.4Å
828	I	97.8	Very high	86.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132	-176.7	-54.5	167.2	0	0	0	108.8	Q352 F809 A810 C826 K830 V835 Y837	Q352-I828 HydrophobicContact CB-CD1 3.98Å; Q352-I828 WeakPolarHBondContact O-CD1 3.45Å; F809-I828 HydrophobicContact CE2-CG2 4.39Å; F809-I828 HydrophobicContact CZ-CG2 4.2Å; A810-I828 HydrophobicContact CB-CB 4.3Å; A810-I828 HydrophobicContact CB-CG1 3.91Å; A810-I828 HydrophobicContact CB-CG2 4.27Å; C826-I828 WeakPolarHBondContact SG-CG1 3.3Å; I828-K830 HydrophobicContact CG2-CD 4.49Å; I828-K830 HydrophobicContact CG2-CG 3.88Å; I828-K830 PolarHBondContact O-N 3.34Å; I828-V835 PolarHBondContact N-O 3.43Å; I828-V835 PolarHBondContact O-N 3.35Å; I828-Y837 HydrophobicContact CB-CE2 4.12Å; I828-Y837 HydrophobicContact CD1-CD2 3.85Å; I828-Y837 HydrophobicContact CD1-CE2 3.8Å; I828-Y837 HydrophobicContact CG1-CD2 4.25Å; I828-Y837 HydrophobicContact CG1-CE2 4.23Å
829	K	95.9	Very high	87.7	Confident	55 Å²	55	33.4 Å²	33.4	24%	0.239	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	109.7	173.3	-166.2	178.6	-175.8	-179.7	0	109.1	E807 F809 R833 W834	E807-K829 IonicContact OE1-NZ 2.73Å; E807-K829 PolarHBondContact OE1-NZ 3.14Å; F809-K829 WeakPolarHBondContact O-CB 3.42Å; F809-K829 PolarHBondContact O-N 2.9Å; K829-R833 CarbonylContact C-O 3.57Å; K829-R833 WeakPolarHBondContact CA-O 3.42Å; K829-W834 HydrophobicContact CB-CD2 4.17Å; K829-W834 HydrophobicContact CB-CE3 4.2Å; K829-W834 HydrophobicContact CB-CH2 4.18Å; K829-W834 HydrophobicContact CB-CZ2 4.14Å; K829-W834 HydrophobicContact CB-CZ3 4.21Å; K829-W834 HydrophobicContact CD-CZ2 4.34Å
830	K	92.4	Very high	88.5	Confident	31 Å²	31	33.1 Å²	33.1	14%	0.135	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.1	177.1	-64.7	-168.3	178.4	-179.6	0	109.5	G334 Y335 S356 I828 G832 R833 Y837	G334-K830 PolarHBondContact O-NZ 3.02Å; Y335-K830 HydrophobicContact CE1-CD 4.16Å; S356-K830 WeakPolarHBondContact OG-CE 3.46Å; S356-K830 PolarHBondContact OG-NZ 3.37Å; S356-K830 VanDerWaalsContact OG-NZ 3.16Å; I828-K830 HydrophobicContact CG2-CD 4.49Å; I828-K830 HydrophobicContact CG2-CG 3.88Å; I828-K830 PolarHBondContact O-N 3.34Å; K830-G832 PolarHBondContact O-N 3.44Å; K830-G832 VanDerWaalsContact O-N 3.13Å; K830-R833 PolarHBondContact N-O 3.09Å; K830-R833 WeakPolarHBondContact O-CG 3.45Å; K830-R833 PolarHBondContact O-N 2.94Å; K830-R833 VanDerWaalsContact O-O 3.04Å; K830-Y837 WeakPolarHBondContact CD-OH 3.48Å; K830-Y837 WeakPolarHBondContact CE-OH 3.38Å; K830-Y837 PolarHBondContact NZ-OH 2.91Å
831	E	88.6	Confident	89.6	Confident	157 Å²	157	32.5 Å²	32.5	73%	0.734	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.6	177.7	-52.5	176.2	155.6	0	0	113.1	Y335 R833	Y335-E831 PolarHBondContact OH-OE2 3.29Å; E831-R833 VanDerWaalsContact C-N 3.3Å; E831-R833 PolarHBondContact O-N 2.95Å; E831-R833 IonicContact OE2-CZ 2.95Å; E831-R833 IonicContact OE2-NE 3.73Å; E831-R833 IonicContact OE2-NH2 3.03Å; E831-R833 PolarHBondContact OE2-NH2 3.03Å
832	G	87.3	Confident	90.8	Very high	66 Å²	66	31.9 Å²	31.9	68%	0.68	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	1	-179.5	0	0	0	0	0	116	K830	K830-G832 PolarHBondContact O-N 3.44Å; K830-G832 VanDerWaalsContact O-N 3.13Å
833	R	93.3	Very high	91.7	Very high	97 Å²	97	32.4 Å²	32.4	37%	0.366	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.3	177.5	54.4	175.5	168	-174	-3.4	111.9	Y335 K829 K830 E831	Y335-R833 PolarHBondContact OH-NH2 2.81Å; K829-R833 CarbonylContact C-O 3.57Å; K829-R833 WeakPolarHBondContact CA-O 3.42Å; K830-R833 PolarHBondContact N-O 3.09Å; K830-R833 WeakPolarHBondContact O-CG 3.45Å; K830-R833 PolarHBondContact O-N 2.94Å; K830-R833 VanDerWaalsContact O-O 3.04Å; E831-R833 VanDerWaalsContact C-N 3.3Å; E831-R833 PolarHBondContact O-N 2.95Å; E831-R833 IonicContact OE2-CZ 2.95Å; E831-R833 IonicContact OE2-NE 3.73Å; E831-R833 IonicContact OE2-NH2 3.03Å; E831-R833 PolarHBondContact OE2-NH2 3.03Å
834	W	96.1	Very high	92.2	Very high	26 Å²	26	32.4 Å²	32.4	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140	174.6	-74.9	98	0	0	0	111.1	L808 F811 H827 K829 S845 P848	L808-W834 HydrophobicContact CD2-CH2 3.82Å; L808-W834 HydrophobicContact CD2-CZ2 3.89Å; L808-W834 HydrophobicContact CG-CH2 3.87Å; L808-W834 HydrophobicContact CG-CZ2 4.17Å; F811-W834 AromaticContact CD1-CH2 3.89Å; F811-W834 HydrophobicContact CD1-CH2 3.89Å; F811-W834 AromaticContact CD1-CZ3 3.73Å; F811-W834 HydrophobicContact CD1-CZ3 3.73Å; F811-W834 HydrophobicContact CE1-CE3 4.15Å; F811-W834 AromaticContact CE1-CH2 3.92Å; F811-W834 HydrophobicContact CE1-CH2 3.92Å; F811-W834 AromaticContact CE1-CZ3 3.63Å; F811-W834 HydrophobicContact CE1-CZ3 3.63Å; H827-W834 HydrophobicContact CB-CE3 3.95Å; H827-W834 HydrophobicContact CB-CZ3 4.05Å; K829-W834 HydrophobicContact CB-CD2 4.17Å; K829-W834 HydrophobicContact CB-CE3 4.2Å; K829-W834 HydrophobicContact CB-CH2 4.18Å; K829-W834 HydrophobicContact CB-CZ2 4.14Å; K829-W834 HydrophobicContact CB-CZ3 4.21Å; K829-W834 HydrophobicContact CD-CZ2 4.34Å; W834-S845 PolarHBondContact O-N 2.98Å; W834-P848 HydrophobicContact CB-CB 4.37Å; W834-P848 HydrophobicContact CB-CG 4.21Å; W834-P848 HydrophobicContact CD2-CB 4.17Å; W834-P848 HydrophobicContact CD2-CG 4.03Å; W834-P848 HydrophobicContact CE3-CB 4.47Å; W834-P848 HydrophobicContact CG-CB 4.12Å; W834-P848 HydrophobicContact CG-CG 3.72Å
835	V	95.7	Very high	92.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128	179.7	-177.2	0	0	0	0	108.4	Y335 H827 I828 Y837 V842 C843	Y335-V835 HydrophobicContact CD1-CG1 4.22Å; Y335-V835 HydrophobicContact CE1-CG1 4.31Å; Y335-V835 HydrophobicContact CE1-CG2 4.02Å; H827-V835 WeakPolarHBondContact CA-O 3.4Å; I828-V835 PolarHBondContact N-O 3.43Å; I828-V835 PolarHBondContact O-N 3.35Å; V835-Y837 HydrophobicContact CB-CE2 3.82Å; V835-Y837 HydrophobicContact CG1-CD2 4.18Å; V835-Y837 HydrophobicContact CG1-CE2 3.49Å; V835-Y837 VanDerWaalsContact CG1-CE2 3.49Å; V835-V842 HydrophobicContact CG1-CG1 3.69Å; V835-C843 CarbonylContact C-O 3.56Å; V835-C843 WeakPolarHBondContact CA-O 3.49Å; V835-C843 VanDerWaalsContact CG1-O 3.25Å; V835-C843 WeakPolarHBondContact CG1-O 3.37Å
836	I	94.8	Very high	92	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.7	175.6	-179.4	173.5	0	0	0	109.3	Q321 L327 I825 V842 C843	Q321-I836 HydrophobicContact CB-CD1 4.47Å; L327-I836 HydrophobicContact CD1-CG2 3.8Å; I825-I836 HydrophobicContact CD1-CD1 3.59Å; I825-I836 HydrophobicContact CD1-CG1 4.02Å; I836-V842 WeakPolarHBondContact O-CA 3.29Å; I836-C843 HydrophobicContact CG2-CB 3.76Å; I836-C843 WeakPolarHBondContact CG2-O 3.43Å; I836-C843 PolarHBondContact N-O 3.36Å; I836-C843 PolarHBondContact O-N 2.74Å; I836-C843 VanDerWaalsContact O-N 3.07Å
837	Y	94.1	Very high	91.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	107.8	172.6	-64.4	-99.7	0	0	0	107.7	G334 Q352 C826 I828 K830 V835 V842	G334-Y837 PolarHBondContact O-OH 2.77Å; Q352-Y837 HydrophobicContact CB-CG 4.4Å; Q352-Y837 VanDerWaalsContact CD-CD1 3.4Å; Q352-Y837 HydrophobicContact CG-CD1 4.04Å; Q352-Y837 HydrophobicContact CG-CG 4.19Å; C826-Y837 PolarHBondContact N-O 3.02Å; C826-Y837 PolarHBondContact O-N 3.33Å; I828-Y837 HydrophobicContact CB-CE2 4.12Å; I828-Y837 HydrophobicContact CD1-CD2 3.85Å; I828-Y837 HydrophobicContact CD1-CE2 3.8Å; I828-Y837 HydrophobicContact CG1-CD2 4.25Å; I828-Y837 HydrophobicContact CG1-CE2 4.23Å; K830-Y837 WeakPolarHBondContact CD-OH 3.48Å; K830-Y837 WeakPolarHBondContact CE-OH 3.38Å; K830-Y837 PolarHBondContact NZ-OH 2.91Å; V835-Y837 HydrophobicContact CB-CE2 3.82Å; V835-Y837 HydrophobicContact CG1-CD2 4.18Å; V835-Y837 HydrophobicContact CG1-CE2 3.49Å; V835-Y837 VanDerWaalsContact CG1-CE2 3.49Å; Y837-V842 HydrophobicContact CD1-CB 4.39Å; Y837-V842 HydrophobicContact CD1-CG1 3.8Å; Y837-V842 HydrophobicContact CD1-CG2 3.72Å; Y837-V842 HydrophobicContact CE1-CB 4.45Å; Y837-V842 HydrophobicContact CE1-CG1 3.52Å; Y837-V842 HydrophobicContact CE1-CG2 4.03Å; Y837-V842 HydrophobicContact CG-CG1 4.43Å
838	N	90.7	Very high	91.2	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.102	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	88.7	177.3	-177.7	1.1	0	0	0	107.9	Q321 H823 I825 H840 K841	Q321-N838 VanDerWaalsContact CD-ND2 3.31Å; Q321-N838 PolarHBondContact NE2-ND2 3.11Å; Q321-N838 VanDerWaalsContact NE2-ND2 3.15Å; H823-N838 PolarHBondContact NE2-OD1 3.3Å; I825-N838 HydrophobicContact CG2-CB 3.85Å; N838-H840 PolarHBondContact O-N 2.74Å; N838-H840 VanDerWaalsContact O-N 3.13Å; N838-K841 HydrophobicContact CB-CB 4.47Å; N838-K841 PolarHBondContact N-O 2.8Å; N838-K841 WeakPolarHBondContact O-CB 3.44Å; N838-K841 PolarHBondContact O-N 3.05Å
839	D	89.6	Confident	90.9	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.07	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-115.9	-171.1	-68.2	-34.7	0	0	0	111.4	G337 L338 N340 S348 H823 K841	G337-D839 CarbonylContact C-O 3.52Å; G337-D839 VanDerWaalsContact CA-O 3.3Å; G337-D839 WeakPolarHBondContact CA-O 3.36Å; L338-D839 PolarHBondContact N-O 3.42Å; L338-D839 CarbonylContact O-C 3.59Å; L338-D839 WeakPolarHBondContact O-CA 3.31Å; L338-D839 VanDerWaalsContact O-CB 3.26Å; L338-D839 WeakPolarHBondContact O-CB 3.5Å; N340-D839 HydrophobicContact CB-CB 4.43Å; N340-D839 PolarHBondContact ND2-OD2 3.26Å; S348-D839 WeakPolarHBondContact CB-OD1 3.22Å; S348-D839 PolarHBondContact OG-OD1 2.86Å; S348-D839 VanDerWaalsContact OG-OD1 3.11Å; H823-D839 IonicContact CE1-OD2 3.59Å; H823-D839 PolarHBondContact CE1-OD2 2.97Å; D839-K841 VanDerWaalsContact C-N 3.31Å
840	H	84.2	Confident	90.8	Very high	39 Å²	39	49.1 Å²	49.1	18%	0.181	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.3	-178.8	65	-69.5	0	0	0	113.3	L338 Q420 N838	L338-H840 PolarHBondContact O-N 2.86Å; Q420-H840 PolarHBondContact OE1-NE2 3.34Å; N838-H840 PolarHBondContact O-N 2.74Å; N838-H840 VanDerWaalsContact O-N 3.13Å
841	K	85.6	Confident	90.9	Very high	99 Å²	99	50 Å²	50	43%	0.43	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.3	-179.2	-62.7	178.9	-178.8	173.1	0	110.3	N838 D839	N838-K841 HydrophobicContact CB-CB 4.47Å; N838-K841 PolarHBondContact N-O 2.8Å; N838-K841 WeakPolarHBondContact O-CB 3.44Å; N838-K841 PolarHBondContact O-N 3.05Å; D839-K841 VanDerWaalsContact C-N 3.31Å
842	V	90.9	Very high	91.1	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.7	177.2	-171.2	0	0	0	0	109.5	M330 Y335 V835 I836 Y837	M330-V842 HydrophobicContact CB-CG1 4.16Å; M330-V842 PolarHBondContact N-O 3.46Å; Y335-V842 HydrophobicContact CD1-CG1 4.36Å; V835-V842 HydrophobicContact CG1-CG1 3.69Å; I836-V842 WeakPolarHBondContact O-CA 3.29Å; Y837-V842 HydrophobicContact CD1-CB 4.39Å; Y837-V842 HydrophobicContact CD1-CG1 3.8Å; Y837-V842 HydrophobicContact CD1-CG2 3.72Å; Y837-V842 HydrophobicContact CE1-CB 4.45Å; Y837-V842 HydrophobicContact CE1-CG1 3.52Å; Y837-V842 HydrophobicContact CE1-CG2 4.03Å; Y837-V842 HydrophobicContact CG-CG1 4.43Å
843	C	89.6	Confident	91.3	Very high	26 Å²	26	39.9 Å²	39.9	18%	0.176	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.8	-175	-61.1	0	0	0	0	111.7	L327 K328 V835 I836 S845	L327-C843 HydrophobicContact CB-CB 3.7Å; L327-C843 HydrophobicContact CD1-CB 3.93Å; K328-C843 WeakPolarHBondContact O-CA 3.33Å; V835-C843 CarbonylContact C-O 3.56Å; V835-C843 WeakPolarHBondContact CA-O 3.49Å; V835-C843 VanDerWaalsContact CG1-O 3.25Å; V835-C843 WeakPolarHBondContact CG1-O 3.37Å; I836-C843 HydrophobicContact CG2-CB 3.76Å; I836-C843 WeakPolarHBondContact CG2-O 3.43Å; I836-C843 PolarHBondContact N-O 3.36Å; I836-C843 PolarHBondContact O-N 2.74Å; I836-C843 VanDerWaalsContact O-N 3.07Å; C843-S845 PolarHBondContact O-N 3.41Å
844	A	91.4	Very high	91.5	Very high	22 Å²	22	35.4 Å²	35.4	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	124.8	167.5	0	0	0	0	0	109.2	L327 K328 M330	L327-A844 WeakPolarHBondContact CD2-O 3.2Å; K328-A844 PolarHBondContact O-N 3.02Å; M330-A844 HydrophobicContact CG-CB 4.15Å; M330-A844 HydrophobicContact SD-CB 4.12Å
845	S	91.5	Very high	91.5	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.084	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.4	177.1	162.1	0	0	0	0	108.9	E322 W834 C843	E322-S845 WeakPolarHBondContact OE1-CA 3.39Å; E322-S845 WeakPolarHBondContact OE1-CB 3.45Å; E322-S845 PolarHBondContact OE1-OG 2.96Å; W834-S845 PolarHBondContact O-N 2.98Å; C843-S845 PolarHBondContact O-N 3.41Å
846	E	88.4	Confident	91.7	Very high	135 Å²	135	34.2 Å²	34.2	63%	0.631	16%	0.163	S	C	*	.	S	Bend	trans	-95.6	-39.6	-179.4	-66.1	-166.9	166	0	0	111.3	E322 L327	E322-E846 PolarHBondContact OE1-N 2.93Å; E322-E846 PolarHBondContact OE2-N 2.92Å; L327-E846 HydrophobicContact CD2-CG 4.49Å
847	R	87.8	Confident	91.8	Very high	203 Å²	203	33.8 Å²	33.8	77%	0.766	16%	0.161	S	C	*	.	S	Bend	trans	-129.7	76.6	-178.4	-64.3	-176	-175	-176.2	2	109.6	E322	E322-R847 PolarHBondContact OE2-N 2.9Å
848	P	90.6	Very high	92	Very high	21 Å²	21	33.6 Å²	33.6	14%	0.136	16%	0.16	C	C	.	.			trans	-61.1	131.9	-178.1	26.1	-36.3	0	0	0	110.6	F811 W834 K850	F811-P848 HydrophobicContact CE1-CB 4.1Å; F811-P848 HydrophobicContact CZ-CB 3.97Å; W834-P848 HydrophobicContact CB-CB 4.37Å; W834-P848 HydrophobicContact CB-CG 4.21Å; W834-P848 HydrophobicContact CD2-CB 4.17Å; W834-P848 HydrophobicContact CD2-CG 4.03Å; W834-P848 HydrophobicContact CE3-CB 4.47Å; W834-P848 HydrophobicContact CG-CB 4.12Å; W834-P848 HydrophobicContact CG-CG 3.72Å; P848-K850 HydrophobicContact CB-CG 4.27Å; P848-K850 HydrophobicContact CG-CG 4.23Å; P848-K850 PolarHBondContact O-N 2.71Å
849	P	91.2	Very high	92.3	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.039	17%	0.168	C	C	.	.			trans	-77.7	63.1	-178.9	36.4	-41.9	0	0	0	111.1	I320 F811 D851 L852	I320-P849 HydrophobicContact CB-CG 4.36Å; I320-P849 HydrophobicContact CG1-CB 4.28Å; I320-P849 HydrophobicContact CG1-CG 4.29Å; I320-P849 HydrophobicContact CG2-CG 4.26Å; F811-P849 HydrophobicContact CE2-CG 4.23Å; F811-P849 HydrophobicContact CZ-CG 4.34Å; P849-D851 PolarHBondContact O-N 3.12Å; P849-L852 HydrophobicContact CB-CD1 4.36Å; P849-L852 PolarHBondContact O-N 3.48Å; P849-L852 VanDerWaalsContact O-N 3.15Å
850	K	93.5	Very high	92.7	Very high	41 Å²	41	36.6 Å²	36.6	18%	0.178	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.5	-175.1	-62.5	-177.3	-123.5	171.7	0	113.5	D607 L808 F811 P848 Y856	D607-K850 IonicContact OD1-NZ 3.28Å; D607-K850 PolarHBondContact OD1-NZ 3.39Å; D607-K850 IonicContact OD2-NZ 3.1Å; D607-K850 PolarHBondContact OD2-NZ 3.17Å; L808-K850 HydrophobicContact CD2-CD 3.79Å; L808-K850 HydrophobicContact CD2-CG 4.22Å; F811-K850 HydrophobicContact CE1-CG 3.89Å; F811-K850 HydrophobicContact CZ-CG 4.26Å; P848-K850 HydrophobicContact CB-CG 4.27Å; P848-K850 HydrophobicContact CG-CG 4.23Å; P848-K850 PolarHBondContact O-N 2.71Å; K850-Y856 VanDerWaalsContact O-CE1 3.28Å; K850-Y856 WeakPolarHBondContact O-CE1 3.3Å; K850-Y856 PolarHBondContact O-OH 2.63Å
851	D	93.2	Very high	93.1	Very high	48 Å²	48	37.8 Å²	37.8	26%	0.257	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.7	-178.9	66.1	-53.9	0	0	0	113.9	S602 I603 P849	S602-D851 WeakPolarHBondContact CA-O 3.5Å; S602-D851 WeakPolarHBondContact CB-OD2 3.33Å; S602-D851 PolarHBondContact OG-OD2 3.18Å; I603-D851 PolarHBondContact N-O 3.26Å; I603-D851 WeakPolarHBondContact O-CA 3.35Å; P849-D851 PolarHBondContact O-N 3.12Å
852	L	92.6	Very high	92.8	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.042	19%	0.193	C	C	.	.	S	Bend	trans	-109.7	-1.7	-174.4	-57.6	-179.8	0	0	0	113.8	V319 I320 K587 P849	V319-L852 HydrophobicContact CG1-CD1 4.15Å; I320-L852 HydrophobicContact CD1-CB 4.11Å; I320-L852 HydrophobicContact CD1-CD1 3.96Å; I320-L852 HydrophobicContact CG1-CB 4.31Å; I320-L852 HydrophobicContact CG1-CD1 3.7Å; K587-L852 PolarHBondContact NZ-O 3.5Å; K587-L852 VanDerWaalsContact NZ-O 3.07Å; P849-L852 HydrophobicContact CB-CD1 4.36Å; P849-L852 PolarHBondContact O-N 3.48Å; P849-L852 VanDerWaalsContact O-N 3.15Å
853	G	93.5	Very high	91.1	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.031	25%	0.247	C	C	.	.			trans	-59.8	162.5	177.9	0	0	0	0	0	113.5	K587 Y856	K587-G853 PolarHBondContact NZ-O 3.28Å; G853-Y856 VanDerWaalsContact CA-CZ 3.47Å; G853-Y856 WeakPolarHBondContact CA-OH 3.45Å; G853-Y856 PolarHBondContact N-OH 3.03Å; G853-Y856 PolarHBondContact O-OH 3.07Å
854	Y	95.7	Very high	91.2	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.012	25%	0.251	C	S	.	.	S	Bend	trans	-112.5	-48.6	179.6	169.7	-133.3	0	0	0	111.4	D447 A448 Q449 Q584 I585 K587 F588 I812 Y824	D447-Y854 PolarHBondContact OD1-OH 2.83Å; D447-Y854 VanDerWaalsContact OD1-OH 3.06Å; D447-Y854 VanDerWaalsContact OD2-CE1 3.29Å; D447-Y854 WeakPolarHBondContact OD2-CE1 3.47Å; D447-Y854 PolarHBondContact OD2-OH 2.73Å; A448-Y854 HydrophobicContact CB-CE1 4.4Å; Q449-Y854 HydrophobicContact CB-CE1 4.21Å; Q584-Y854 HydrophobicContact CG-CE2 3.78Å; Q584-Y854 PolarHBondContact NE2-OH 3.17Å; I585-Y854 PolarHBondContact N-O 2.96Å; K587-Y854 HydrophobicContact CG-CD2 4.43Å; F588-Y854 HydrophobicContact CD2-CE2 4.41Å; F588-Y854 HydrophobicContact CE2-CD2 4.17Å; F588-Y854 AromaticContact CE2-CE2 3.5Å; F588-Y854 HydrophobicContact CE2-CE2 3.5Å; F588-Y854 VanDerWaalsContact CE2-CE2 3.5Å; F588-Y854 AromaticContact CE2-CZ 3.84Å; F588-Y854 HydrophobicContact CZ-CE2 4.27Å; I812-Y854 WeakPolarHBondContact O-CA 3.35Å; I812-Y854 WeakPolarHBondContact O-CB 3.31Å; I812-Y854 PolarHBondContact O-N 2.75Å; Y824-Y854 AromaticContact CE1-CD1 3.88Å; Y824-Y854 HydrophobicContact CE1-CD1 3.88Å; Y824-Y854 HydrophobicContact CE1-CE1 4.38Å
855	M	97.7	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.2	174.7	-61.6	174.4	71.5	0	0	109.4	A448 Q449 F452 V582 V583 F811 I812 F857	A448-M855 HydrophobicContact CB-SD 3.96Å; Q449-M855 WeakPolarHBondContact CA-SD 3.37Å; Q449-M855 HydrophobicContact CB-CE 3.95Å; Q449-M855 HydrophobicContact CB-CG 4.36Å; Q449-M855 HydrophobicContact CB-SD 3.65Å; Q449-M855 HydrophobicContact CG-CE 4.25Å; Q449-M855 PolarHBondContact N-SD 3.36Å; Q449-M855 VanDerWaalsContact N-SD 3.4Å; F452-M855 HydrophobicContact CB-CE 3.91Å; F452-M855 HydrophobicContact CD1-CE 4.08Å; F452-M855 HydrophobicContact CG-CE 3.99Å; V582-M855 HydrophobicContact CG1-CE 4.05Å; V583-M855 CarbonylContact O-C 3.55Å; V583-M855 WeakPolarHBondContact O-CA 3.29Å; F811-M855 CarbonylContact C-O 3.56Å; F811-M855 WeakPolarHBondContact CA-O 3.34Å; F811-M855 WeakPolarHBondContact CB-O 3.48Å; I812-M855 HydrophobicContact CB-CB 4.34Å; I812-M855 PolarHBondContact N-O 3.47Å; I812-M855 PolarHBondContact O-N 3.26Å; I812-M855 VanDerWaalsContact O-N 3.14Å; M855-F857 HydrophobicContact CB-CE2 4.48Å
856	Y	98.4	Very high	91.2	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.5	179.8	-62.4	-98.6	0	0	0	109.7	V582 V583 I585 M605 L808 F811 K850 G853	V582-Y856 CarbonylContact C-O 3.57Å; V582-Y856 WeakPolarHBondContact CA-O 3.06Å; V583-Y856 PolarHBondContact N-O 3.22Å; V583-Y856 PolarHBondContact O-N 2.89Å; I585-Y856 HydrophobicContact CD1-CD2 4.23Å; I585-Y856 HydrophobicContact CD1-CE2 4.03Å; I585-Y856 HydrophobicContact CG1-CD2 4.04Å; I585-Y856 HydrophobicContact CG1-CE2 3.59Å; M605-Y856 HydrophobicContact CB-CD1 4.14Å; M605-Y856 HydrophobicContact CB-CE1 3.83Å; M605-Y856 HydrophobicContact CE-CD1 4.46Å; M605-Y856 HydrophobicContact CE-CD2 3.95Å; M605-Y856 HydrophobicContact CE-CE2 4.32Å; M605-Y856 HydrophobicContact CE-CG 4.03Å; M605-Y856 HydrophobicContact CG-CD1 3.99Å; M605-Y856 HydrophobicContact CG-CD2 4.26Å; M605-Y856 HydrophobicContact CG-CE1 3.52Å; M605-Y856 HydrophobicContact CG-CE2 3.81Å; M605-Y856 HydrophobicContact CG-CG 4.34Å; M605-Y856 HydrophobicContact SD-CE2 4.42Å; L808-Y856 HydrophobicContact CD1-CD1 3.93Å; F811-Y856 HydrophobicContact CB-CD1 3.4Å; F811-Y856 HydrophobicContact CB-CE1 3.69Å; F811-Y856 HydrophobicContact CB-CG 4.01Å; F811-Y856 HydrophobicContact CD2-CE1 4.35Å; F811-Y856 HydrophobicContact CG-CD1 4.11Å; F811-Y856 AromaticContact CG-CE1 3.98Å; F811-Y856 HydrophobicContact CG-CE1 3.98Å; K850-Y856 VanDerWaalsContact O-CE1 3.28Å; K850-Y856 WeakPolarHBondContact O-CE1 3.3Å; K850-Y856 PolarHBondContact O-OH 2.63Å; G853-Y856 VanDerWaalsContact CA-CZ 3.47Å; G853-Y856 WeakPolarHBondContact CA-OH 3.45Å; G853-Y856 PolarHBondContact N-OH 3.03Å; G853-Y856 PolarHBondContact O-OH 3.07Å
857	F	98.3	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.8	177.2	-63.4	-99.8	0	0	0	107.8	A353 F452 F473 V582 F809 A810 I812 M855	A353-F857 HydrophobicContact CB-CD2 4.42Å; A353-F857 HydrophobicContact CB-CE2 4.06Å; A353-F857 HydrophobicContact CB-CZ 4.2Å; F452-F857 HydrophobicContact CD2-CE1 4.5Å; F452-F857 HydrophobicContact CE2-CE1 4.11Å; F473-F857 HydrophobicContact CE1-CD1 4.33Å; F473-F857 HydrophobicContact CE1-CE1 4.42Å; V582-F857 HydrophobicContact CG1-CD1 4.47Å; V582-F857 HydrophobicContact CG1-CE1 4.13Å; V582-F857 HydrophobicContact CG1-CZ 4.35Å; V582-F857 HydrophobicContact CG2-CD1 3.76Å; V582-F857 HydrophobicContact CG2-CE1 3.77Å; F809-F857 WeakPolarHBondContact CA-O 3.44Å; F809-F857 WeakPolarHBondContact CB-O 3.34Å; F809-F857 HydrophobicContact CD1-CB 3.94Å; F809-F857 PolarHBondContact N-O 3.29Å; A810-F857 HydrophobicContact CB-CB 4.17Å; A810-F857 HydrophobicContact CB-CD2 4.29Å; A810-F857 PolarHBondContact N-O 3.48Å; A810-F857 VanDerWaalsContact N-O 3.15Å; A810-F857 PolarHBondContact O-N 3.29Å; I812-F857 HydrophobicContact CD1-CE2 3.85Å; I812-F857 HydrophobicContact CD1-CZ 4.28Å; I812-F857 HydrophobicContact CG1-CE2 4.14Å; M855-F857 HydrophobicContact CB-CE2 4.48Å
858	Y	98.1	Very high	91.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.2	179.9	-83.6	-86.4	0	0	0	109.2	Y580 L581 V583 M605 P606 L609 E807 L808	Y580-Y858 CarbonylContact C-O 3.59Å; Y580-Y858 VanDerWaalsContact CA-O 3.26Å; Y580-Y858 WeakPolarHBondContact CA-O 3.38Å; L581-Y858 PolarHBondContact N-O 3.15Å; L581-Y858 PolarHBondContact O-N 3.41Å; V583-Y858 HydrophobicContact CG2-CD2 4.1Å; V583-Y858 HydrophobicContact CG2-CE2 4.37Å; M605-Y858 HydrophobicContact CE-CE2 4.05Å; P606-Y858 VanDerWaalsContact O-CE1 3.27Å; P606-Y858 WeakPolarHBondContact O-CE1 3.25Å; P606-Y858 PolarHBondContact O-OH 2.77Å; L609-Y858 HydrophobicContact CB-CD1 3.85Å; L609-Y858 HydrophobicContact CB-CE1 3.65Å; L609-Y858 HydrophobicContact CD2-CD1 4.07Å; L609-Y858 HydrophobicContact CD2-CD2 4.18Å; L609-Y858 HydrophobicContact CD2-CE1 4.08Å; L609-Y858 HydrophobicContact CD2-CE2 4.19Å; L609-Y858 HydrophobicContact CD2-CG 4.11Å; L609-Y858 HydrophobicContact CG-CE1 4.5Å; E807-Y858 CarbonylContact O-C 3.6Å; E807-Y858 WeakPolarHBondContact O-CA 3.42Å; L808-Y858 HydrophobicContact CB-CD1 4.22Å; L808-Y858 HydrophobicContact CB-CE1 3.82Å; L808-Y858 HydrophobicContact CD1-CD1 4.46Å; L808-Y858 HydrophobicContact CD1-CD2 4.33Å; L808-Y858 HydrophobicContact CD1-CE1 4.09Å; L808-Y858 HydrophobicContact CD1-CE2 3.94Å
859	H	97.1	Very high	91.7	Very high	60 Å²	60	36.7 Å²	36.7	28%	0.278	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.7	177.7	177.8	-131.3	0	0	0	110	Y580 Y806 E807 F809 I861	Y580-H859 HydrophobicContact CD1-CB 4.07Å; Y580-H859 HydrophobicContact CE1-CB 3.67Å; Y580-H859 AromaticContact CE1-CD2 3.73Å; Y580-H859 AromaticContact CE1-CG 3.87Å; Y580-H859 AromaticContact CE2-CD2 3.49Å; Y580-H859 VanDerWaalsContact CE2-CD2 3.49Å; Y580-H859 WeakPolarHBondContact CE2-CD2 3.43Å; Y580-H859 AromaticContact CZ-CD2 3.3Å; Y580-H859 AromaticContact CZ-CG 3.82Å; Y580-H859 AromaticContact CZ-NE2 4Å; Y806-H859 CarbonylContact C-O 3.59Å; Y806-H859 VanDerWaalsContact CA-O 3.29Å; Y806-H859 WeakPolarHBondContact CA-O 3.41Å; E807-H859 PolarHBondContact N-O 3.01Å; E807-H859 PolarHBondContact O-N 3.21Å; F809-H859 HydrophobicContact CB-CB 3.96Å; H859-I861 PolarHBondContact O-N 3.06Å
860	R	96.6	Very high	91.7	Very high	35 Å²	35	38.9 Å²	38.9	13%	0.132	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.7	-178.9	-172.7	170.8	60.5	-149.3	2.1	110.4	F577 P578 E579 K800 S803 Y806 P862	F577-R860 PolarHBondContact O-NH1 3.27Å; P578-R860 PolarHBondContact O-NH1 2.91Å; E579-R860 VanDerWaalsContact O-CB 3.32Å; E579-R860 WeakPolarHBondContact O-CB 3.4Å; E579-R860 PolarHBondContact O-N 3.22Å; K800-R860 PolarHBondContact O-NH1 3.47Å; S803-R860 WeakPolarHBondContact O-CD 3.33Å; S803-R860 WeakPolarHBondContact O-CG 3.42Å; Y806-R860 HydrophobicContact CD1-CB 3.89Å; Y806-R860 HydrophobicContact CE1-CB 3.78Å; Y806-R860 HydrophobicContact CE1-CG 4.32Å; R860-P862 WeakPolarHBondContact O-CD 3.24Å
861	I	93.3	Very high	91.5	Very high	64 Å²	64	38.8 Å²	38.8	33%	0.328	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-76.3	122.9	175	-58.3	174.1	0	0	0	107.4	L608 S803 T805 E807 H859 S863	L608-I861 HydrophobicContact CD2-CD1 3.77Å; S803-I861 PolarHBondContact OG-O 2.85Å; T805-I861 PolarHBondContact O-N 2.92Å; E807-I861 HydrophobicContact CB-CD1 4.37Å; E807-I861 HydrophobicContact CB-CG1 4.22Å; H859-I861 PolarHBondContact O-N 3.06Å; I861-S863 PolarHBondContact O-N 3.32Å
862	P	79.4	Confident	91.4	Very high	112 Å²	112	38 Å²	38	73%	0.727	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-55.3	134	175.1	-21.4	31.6	0	0	0	109.7	R860	R860-P862 WeakPolarHBondContact O-CD 3.24Å
863	S	56.3	Low	91.3	Very high	170 Å²	170	40.7 Å²	40.7	100%	1.189	25%	0.246	S	C	*	.			trans	-79.3	0	179.7	31.7	0	0	0	0	112.7	I861	I861-S863 PolarHBondContact O-N 3.32Å

Retrieved 863 of 863 residues in 260 ms (Link to these results)

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