A0A096NSD0_PAPAN Loading...

Matrix metalloproteinase-14

Endopeptidase that degrades various components of the extracellular matrix such as collagen. Essential for pericellular collagenolysis and modeling of skeletal and extraskeletal connective tissues during development. Activates progelatinase A/MMP2, thereby acting as a positive regulator of cell growth and migration. Involved in the formation of the fibrovascular tissues in association with pro-MMP2. May be involved in actin cytoskeleton reorganization by cleaving PTK7. Acts as a regulator of Notch signaling by mediating cleavage and inhibition of DLL1. Cleaves ADGRB1 to release vasculostatin-40 which inhibits angiogenesis. Acts as a negative regulator of the GDF15-GFRAL aversive response by mediating cleavage and inactivation of GFRAL.

AlphaFold DB (A0A2K5TRG6), UniProt , Accession A0A096NSD0, Species PAPAN (Papio anubis, Olive baboon), Gene MMP14, Length 582 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	39.6	Very low	237 Å²	237	151.2 Å²	151.2	100%	1.167	84%	0.843	S	S	*	*				0	127.4	0	-74	147.5	75.9	0	0	108.1
2	S	34.2	Very low	38.9	Very low	123 Å²	123	152.6 Å²	152.6	86%	0.86	85%	0.846	S	S	*	*			trans	59.6	156.9	161.3	-59.8	0	0	0	0	120.9
3	P	52.5	Low	38.3	Very low	118 Å²	118	152.9 Å²	152.9	77%	0.766	84%	0.844	S	S	*	*			trans	-138	-178.5	-145.8	43.3	-25.2	0	0	0	118
4	A	39.1	Very low	39.1	Very low	88 Å²	88	149.6 Å²	149.6	73%	0.727	83%	0.833	S	S	*	*			trans	74.1	165	146	0	0	0	0	0	120
5	P	50.2	Low	38.7	Very low	125 Å²	125	150.8 Å²	150.8	81%	0.812	84%	0.836	S	S	*	*			cis	-139.3	-177	-39.9	37.1	-19	0	0	0	116.6
6	R	39.2	Very low	38.5	Very low	234 Å²	234	151.1 Å²	151.1	88%	0.883	83%	0.834	S	S	*	*			trans	-44.7	171.2	163.9	-80	-178.9	-174.1	178	3.4	116.6
7	P	47.8	Very low	38.4	Very low	119 Å²	119	151.1 Å²	151.1	77%	0.773	84%	0.84	S	S	*	*			cis	-144.3	-163.5	37.7	46.7	-25.7	0	0	0	115.3
8	S	32.3	Very low	38.2	Very low	114 Å²	114	152.6 Å²	152.6	80%	0.797	85%	0.845	S	S	*	*			cis	-153.8	-162.6	2	-152.4	0	0	0	0	113
9	R	41.2	Very low	37.7	Very low	234 Å²	234	148 Å²	148	88%	0.883	84%	0.836	S	S	*	*			trans	-133.8	150.2	164.3	-79.3	177.6	161.8	-178	-6.6	110.6
10	C	30.9	Very low	37.4	Very low	119 Å²	119	147.4 Å²	147.4	80%	0.804	84%	0.836	S	S	*	*			trans	174.8	124.6	131.9	-101.2	0	0	0	0	116.2
11	L	35.9	Very low	37	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	84%	0.837	S	S	*	*				29.7	121.1	126.7	-86.3	149	0	0	0	122
12	L	31.6	Very low	37.1	Very low	168 Å²	168	141.9 Å²	141.9	88%	0.88	82%	0.823	S	S	*	*				173.3	174	107.6	-96.4	155.8	0	0	0	113.8
13	L	30.4	Very low	36.9	Very low	157 Å²	157	140 Å²	140	82%	0.822	81%	0.814	S	S	*	*			trans	-111.7	-173.1	-158.8	-125	142.4	0	0	0	112.5
14	P	49.5	Very low	36	Very low	106 Å²	106	139.9 Å²	139.9	69%	0.688	82%	0.816	S	S	*	*				-92.7	175.9	-122.6	43.3	-29.4	0	0	0	116
15	L	33.6	Very low	35.7	Very low	168 Å²	168	143.5 Å²	143.5	88%	0.88	82%	0.822	S	S	*	*			trans	-149.5	146.9	160.1	-117.3	134.2	0	0	0	113.1
16	L	35.8	Very low	34.8	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	82%	0.817	S	S	*	*			trans	-69.4	146.7	-176.3	-71.6	74.4	0	0	0	112.3
17	T	35.8	Very low	34.3	Very low	151 Å²	151	133.9 Å²	133.9	93%	0.926	81%	0.805	S	S	*	*			trans	-131.4	140.7	144.5	43.5	0	0	0	0	110.3
18	L	35	Very low	33.5	Very low	179 Å²	179	134.8 Å²	134.8	94%	0.937	81%	0.808	S	S	*	*			trans	-108.1	130.5	-175	-168.8	84.6	0	0	0	107.7
19	G	29.2	Very low	33.4	Very low	65 Å²	65	137.5 Å²	137.5	67%	0.67	81%	0.808	S	S	*	*			trans	176.5	104.9	178.3	0	0	0	0	0	116.8
20	T	31.1	Very low	33.2	Very low	136 Å²	136	131 Å²	131	83%	0.834	80%	0.799	S	S	*	*			trans	51.2	87.1	155.6	56.2	0	0	0	0	118.2	L22	T20-L22 PolarHBondContact O-N 3.06Å
21	A	30.4	Very low	34	Very low	104 Å²	104	130.7 Å²	130.7	86%	0.86	80%	0.798	S	S	*	*			trans	-70.7	103.1	150.7	0	0	0	0	0	109.5	A23	A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.29Å; A21-A23 VanDerWaalsContact O-N 3.09Å
22	L	32.6	Very low	35.4	Very low	165 Å²	165	129.5 Å²	129.5	86%	0.864	80%	0.797	S	S	*	*			trans	-70.6	96.3	159.1	-101	143.8	0	0	0	107.2	T20 S24	T20-L22 PolarHBondContact O-N 3.06Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 3.46Å
23	A	31.8	Very low	37.8	Very low	82 Å²	82	124 Å²	124	68%	0.678	77%	0.766	S	S	*	*			trans	-64.3	97.2	166.6	0	0	0	0	0	108	A21 L25	A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.29Å; A21-A23 VanDerWaalsContact O-N 3.09Å; A23-L25 PolarHBondContact O-N 3.31Å
24	S	31.9	Very low	40.4	Very low	117 Å²	117	118.6 Å²	118.6	82%	0.818	74%	0.742	S	S	*	*			trans	-62.9	93.3	160.3	39.1	0	0	0	0	107.3	L22 G26	L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 3.46Å; S24-G26 PolarHBondContact O-N 3.45Å
25	L	33.9	Very low	42.2	Very low	163 Å²	163	114.3 Å²	114.3	85%	0.853	71%	0.714	S	S	*	*			trans	-57.5	91	160.7	-81.1	140.2	0	0	0	106.9	A23 S27	A23-L25 PolarHBondContact O-N 3.31Å; L25-S27 PolarHBondContact O-N 3Å
26	G	30.3	Very low	44.6	Very low	68 Å²	68	109.8 Å²	109.8	70%	0.701	69%	0.688	S	S	*	*			trans	-60.8	93.4	161.7	0	0	0	0	0	106.5	S24 T28	S24-G26 PolarHBondContact O-N 3.45Å; G26-T28 VanDerWaalsContact C-N 3.31Å; G26-T28 PolarHBondContact O-N 3.39Å
27	S	29.2	Very low	46.9	Very low	89 Å²	89	104.8 Å²	104.8	62%	0.622	67%	0.67	S	S	*	*			trans	-63.8	98.5	172.6	56.5	0	0	0	0	107.1	L25 Q29	L25-S27 PolarHBondContact O-N 3Å; S27-Q29 PolarHBondContact O-N 3.12Å
28	T	30.8	Very low	49.3	Very low	139 Å²	139	98.2 Å²	98.2	85%	0.853	63%	0.628	S	S	*	*			trans	-59	91.2	153.5	36.7	0	0	0	0	106.4	G26 S30	G26-T28 VanDerWaalsContact C-N 3.31Å; G26-T28 PolarHBondContact O-N 3.39Å; T28-S30 PolarHBondContact O-N 3.2Å
29	Q	31.6	Very low	51.9	Low	170 Å²	170	89.7 Å²	89.7	79%	0.794	58%	0.583	S	S	*	*			trans	-66.5	90	167.8	-71.3	-171.2	15.6	0	0	106.8	S27 S31	S27-Q29 PolarHBondContact O-N 3.12Å; Q29-S31 VanDerWaalsContact C-N 3.33Å; Q29-S31 PolarHBondContact O-N 3.25Å
30	S	36.3	Very low	54.5	Low	98 Å²	98	88.4 Å²	88.4	69%	0.685	56%	0.56	S	S	*	*			trans	-60.2	107.8	150.8	60.3	0	0	0	0	105.3	T28 T32	T28-S30 PolarHBondContact O-N 3.2Å; S30-T32 PolarHBondContact O-N 3.41Å
31	S	48.3	Very low	57	Low	113 Å²	113	86 Å²	86	79%	0.79	54%	0.539	S	S	*	.			trans	-56.7	105.8	175.9	43.6	0	0	0	0	108.1	Q29 F33	Q29-S31 VanDerWaalsContact C-N 3.33Å; Q29-S31 PolarHBondContact O-N 3.25Å; S31-F33 PolarHBondContact O-N 3.29Å
32	T	64.8	Low	59.7	Low	127 Å²	127	81.2 Å²	81.2	78%	0.779	50%	0.499	S	S	*	.			trans	-69.2	99.6	-179.7	-57.1	0	0	0	0	107.7	S30 S34	S30-T32 PolarHBondContact O-N 3.41Å; T32-S34 PolarHBondContact O-N 3.3Å
33	F	80.9	Confident	62.1	Low	52 Å²	52	73.9 Å²	73.9	23%	0.228	46%	0.463	C	S	.	.			trans	-45.8	114.9	179.1	178.3	-85.7	0	0	0	111	S31 P35 W38 M85 M88 R89	S31-F33 PolarHBondContact O-N 3.29Å; F33-P35 HydrophobicContact CE1-CG 4.19Å; F33-W38 HydrophobicContact CE2-CB 4.43Å; F33-W38 AromaticContact CE2-CD1 3.63Å; F33-W38 HydrophobicContact CE2-CG 4.26Å; F33-W38 HydrophobicContact CZ-CB 3.91Å; F33-W38 AromaticContact CZ-CD1 3.53Å; F33-W38 AromaticContact CZ-CG 3.8Å; F33-W38 HydrophobicContact CZ-CG 3.8Å; F33-M85 HydrophobicContact CD1-CE 3.62Å; F33-M85 HydrophobicContact CE1-CE 3.88Å; F33-M85 HydrophobicContact CE1-SD 4.35Å; F33-M88 HydrophobicContact CE1-CB 4.07Å; F33-M88 HydrophobicContact CE1-SD 3.94Å; F33-M88 HydrophobicContact CZ-CB 3.62Å; F33-M88 HydrophobicContact CZ-CG 4.4Å; F33-M88 HydrophobicContact CZ-SD 4.08Å; F33-R89 HydrophobicContact CD2-CG 4.37Å; F33-R89 HydrophobicContact CE2-CG 4.42Å
34	S	86	Confident	64.6	Low	43 Å²	43	70.9 Å²	70.9	30%	0.301	43%	0.434	S	S	.	.			trans	-103.1	116.1	179.2	165.7	0	0	0	0	110.3	T32 E36 A37 W38	T32-S34 PolarHBondContact O-N 3.3Å; S34-E36 PolarHBondContact O-N 3Å; S34-E36 PolarHBondContact OG-N 2.96Å; S34-E36 PolarHBondContact OG-OE2 3.25Å; S34-A37 PolarHBondContact O-N 3.33Å; S34-A37 PolarHBondContact OG-N 3.45Å; S34-A37 VanDerWaalsContact OG-N 3.16Å; S34-W38 PolarHBondContact O-N 2.94Å; S34-W38 VanDerWaalsContact O-N 3.07Å
35	P	86.1	Confident	66.9	Low	16 Å²	16	65.8 Å²	65.8	10%	0.104	40%	0.397	C	S	.	.	H	α-helix	trans	-56.8	-32.4	171.7	-26.7	37.2	0	0	0	112.9	F33 L39 A80 M85 M88	F33-P35 HydrophobicContact CE1-CG 4.19Å; P35-L39 VanDerWaalsContact O-CB 3.29Å; P35-L39 WeakPolarHBondContact O-CB 3.47Å; P35-L39 WeakPolarHBondContact O-CD1 3.37Å; P35-L39 WeakPolarHBondContact O-CG 3.33Å; P35-L39 PolarHBondContact O-N 3.03Å; P35-A80 HydrophobicContact CG-CB 4.39Å; P35-M85 HydrophobicContact CG-CE 3.87Å; P35-M85 HydrophobicContact CG-SD 3.56Å; P35-M85 VanDerWaalsContact CG-SD 3.56Å; P35-M88 HydrophobicContact CB-CE 4.09Å; P35-M88 HydrophobicContact CB-SD 3.94Å; P35-M88 HydrophobicContact CG-SD 4.41Å
36	E	84.1	Confident	68.6	Low	73 Å²	73	61.5 Å²	61.5	34%	0.341	38%	0.379	S	S	.	.	H	α-helix	trans	-72.8	-35.2	-178.9	-55.5	73.3	-161.4	0	0	112.4	S34 Q40 L61	S34-E36 PolarHBondContact O-N 3Å; S34-E36 PolarHBondContact OG-N 2.96Å; S34-E36 PolarHBondContact OG-OE2 3.25Å; E36-Q40 WeakPolarHBondContact O-CG 3.4Å; E36-Q40 PolarHBondContact O-N 3.37Å; E36-Q40 PolarHBondContact O-NE2 3.06Å; E36-L61 HydrophobicContact CG-CD1 4.12Å; E36-L61 HydrophobicContact CG-CD2 4.21Å
37	A	84.2	Confident	70.2	Confident	51 Å²	51	63.9 Å²	63.9	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-69.1	-48.5	172	0	0	0	0	0	110.4	S34 L39 Q40 Q41	S34-A37 PolarHBondContact O-N 3.33Å; S34-A37 PolarHBondContact OG-N 3.45Å; S34-A37 VanDerWaalsContact OG-N 3.16Å; A37-L39 PolarHBondContact O-N 3.08Å; A37-Q40 WeakPolarHBondContact O-CB 3.39Å; A37-Q40 PolarHBondContact O-N 3.44Å; A37-Q41 PolarHBondContact O-N 3.05Å
38	W	88.1	Confident	71.4	Confident	12 Å²	12	61.2 Å²	61.2	5%	0.045	37%	0.369	C	S	.	.	H	α-helix	trans	-55.9	-46.6	176.5	-171.6	101.8	0	0	0	111.9	F33 S34 Q40 Q41 Y42 Y44 M68 Y72 M88	F33-W38 HydrophobicContact CE2-CB 4.43Å; F33-W38 AromaticContact CE2-CD1 3.63Å; F33-W38 HydrophobicContact CE2-CG 4.26Å; F33-W38 HydrophobicContact CZ-CB 3.91Å; F33-W38 AromaticContact CZ-CD1 3.53Å; F33-W38 AromaticContact CZ-CG 3.8Å; F33-W38 HydrophobicContact CZ-CG 3.8Å; S34-W38 PolarHBondContact O-N 2.94Å; S34-W38 VanDerWaalsContact O-N 3.07Å; W38-Q40 PolarHBondContact O-N 3.3Å; W38-Q41 PolarHBondContact O-N 3.43Å; W38-Y42 AromaticContact CD1-CE2 3.68Å; W38-Y42 AromaticContact CD2-CD2 3.57Å; W38-Y42 HydrophobicContact CD2-CD2 3.57Å; W38-Y42 AromaticContact CD2-CE2 3.96Å; W38-Y42 HydrophobicContact CD2-CE2 3.96Å; W38-Y42 AromaticContact CE2-CD2 3.48Å; W38-Y42 VanDerWaalsContact CE2-CD2 3.48Å; W38-Y42 AromaticContact CE2-CE2 3.6Å; W38-Y42 AromaticContact CE3-CD2 3.95Å; W38-Y42 HydrophobicContact CE3-CD2 3.95Å; W38-Y42 AromaticContact CG-CD2 3.98Å; W38-Y42 HydrophobicContact CG-CD2 3.98Å; W38-Y42 HydrophobicContact CG-CE2 4Å; W38-Y42 HydrophobicContact CH2-CD2 4.08Å; W38-Y42 AromaticContact CZ2-CD2 3.77Å; W38-Y42 HydrophobicContact CZ2-CD2 3.77Å; W38-Y42 HydrophobicContact CZ2-CE2 4.12Å; W38-Y42 HydrophobicContact CZ3-CD2 4.16Å; W38-Y42 AromaticContact NE1-CD2 3.88Å; W38-Y42 AromaticContact NE1-CE2 3.49Å; W38-Y42 WeakPolarHBondContact O-CD2 3.33Å; W38-Y42 PolarHBondContact O-N 2.64Å; W38-Y42 VanDerWaalsContact O-N 3.09Å; W38-Y44 HydrophobicContact CH2-CE2 4.37Å; W38-Y44 HydrophobicContact CZ3-CD2 4.12Å; W38-Y44 HydrophobicContact CZ3-CE2 4.06Å; W38-M68 HydrophobicContact CH2-CE 3.94Å; W38-M68 HydrophobicContact CH2-CG 3.9Å; W38-M68 HydrophobicContact CZ3-CE 4.04Å; W38-M68 HydrophobicContact CZ3-CG 3.82Å; W38-Y72 AromaticContact CH2-CE2 3.61Å; W38-Y72 HydrophobicContact CH2-CE2 3.61Å; W38-Y72 AromaticContact CH2-CZ 3.71Å; W38-Y72 VanDerWaalsContact CH2-OH 3.27Å; W38-Y72 WeakPolarHBondContact CH2-OH 3.41Å; W38-Y72 HydrophobicContact CZ2-CE2 4.03Å; W38-M88 HydrophobicContact CD2-CB 4.27Å; W38-M88 HydrophobicContact CD2-CG 3.97Å; W38-M88 HydrophobicContact CD2-SD 4.33Å; W38-M88 HydrophobicContact CE3-CE 3.92Å; W38-M88 HydrophobicContact CE3-CG 4.12Å; W38-M88 HydrophobicContact CE3-SD 4.33Å; W38-M88 HydrophobicContact CH2-CG 4.42Å; W38-M88 HydrophobicContact CZ2-CB 4.39Å; W38-M88 HydrophobicContact CZ2-CG 4.22Å; W38-M88 HydrophobicContact CZ3-CE 4.29Å; W38-M88 HydrophobicContact CZ3-CG 4.38Å; W38-M88 PolarHBondContact NE1-O 3.28Å
39	L	88.4	Confident	71.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-66	-25	178.7	-73.5	165.1	0	0	0	113.2	P35 A37 Y44 L45 L61 A64 I65 M68 M88	P35-L39 VanDerWaalsContact O-CB 3.29Å; P35-L39 WeakPolarHBondContact O-CB 3.47Å; P35-L39 WeakPolarHBondContact O-CD1 3.37Å; P35-L39 WeakPolarHBondContact O-CG 3.33Å; P35-L39 PolarHBondContact O-N 3.03Å; A37-L39 PolarHBondContact O-N 3.08Å; L39-Y44 HydrophobicContact CD2-CD2 4.02Å; L39-Y44 HydrophobicContact CD2-CG 3.85Å; L39-Y44 CarbonylContact O-C 3.6Å; L39-Y44 WeakPolarHBondContact O-CA 3.36Å; L39-Y44 WeakPolarHBondContact O-CB 3.46Å; L39-Y44 PolarHBondContact O-N 2.79Å; L39-L45 HydrophobicContact CB-CB 4.48Å; L39-L45 HydrophobicContact CB-CD1 3.78Å; L39-L45 HydrophobicContact CB-CG 3.98Å; L39-L45 HydrophobicContact CD1-CD1 4.31Å; L39-L45 PolarHBondContact O-N 2.81Å; L39-L61 HydrophobicContact CD1-CD1 3.6Å; L39-A64 HydrophobicContact CD1-CB 4.34Å; L39-A64 HydrophobicContact CD2-CB 4.45Å; L39-I65 HydrophobicContact CD1-CG1 3.67Å; L39-M68 HydrophobicContact CD2-CB 4.2Å; L39-M88 HydrophobicContact CD1-CE 4.27Å; L39-M88 HydrophobicContact CD2-CE 4.12Å; L39-M88 HydrophobicContact CG-CE 4.02Å
40	Q	83.4	Confident	72.5	Confident	39 Å²	39	59.9 Å²	59.9	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-77.4	-46.9	172.6	-75.1	170.8	95.6	0	0	111.5	E36 A37 W38 Y42 G43 L45	E36-Q40 WeakPolarHBondContact O-CG 3.4Å; E36-Q40 PolarHBondContact O-N 3.37Å; E36-Q40 PolarHBondContact O-NE2 3.06Å; A37-Q40 WeakPolarHBondContact O-CB 3.39Å; A37-Q40 PolarHBondContact O-N 3.44Å; W38-Q40 PolarHBondContact O-N 3.3Å; Q40-Y42 PolarHBondContact O-N 2.91Å; Q40-G43 PolarHBondContact O-N 3.24Å; Q40-G43 VanDerWaalsContact O-N 3.14Å; Q40-L45 HydrophobicContact CG-CB 3.62Å; Q40-L45 HydrophobicContact CG-CD1 4.4Å
41	Q	83.8	Confident	72.7	Confident	85 Å²	85	66.3 Å²	66.3	40%	0.397	37%	0.37	S	S	.	.	H	α-helix	trans	-52	-44.4	177	-176.3	176.3	1.9	0	0	111.4	A37 W38	A37-Q41 PolarHBondContact O-N 3.05Å; W38-Q41 PolarHBondContact O-N 3.43Å
42	Y	87.3	Confident	72.7	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.016	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	16.5	-177.1	-57.7	-64.2	0	0	0	115.3	W38 Q40 Y44 R92 G94 D97	W38-Y42 AromaticContact CD1-CE2 3.68Å; W38-Y42 AromaticContact CD2-CD2 3.57Å; W38-Y42 HydrophobicContact CD2-CD2 3.57Å; W38-Y42 AromaticContact CD2-CE2 3.96Å; W38-Y42 HydrophobicContact CD2-CE2 3.96Å; W38-Y42 AromaticContact CE2-CD2 3.48Å; W38-Y42 VanDerWaalsContact CE2-CD2 3.48Å; W38-Y42 AromaticContact CE2-CE2 3.6Å; W38-Y42 AromaticContact CE3-CD2 3.95Å; W38-Y42 HydrophobicContact CE3-CD2 3.95Å; W38-Y42 AromaticContact CG-CD2 3.98Å; W38-Y42 HydrophobicContact CG-CD2 3.98Å; W38-Y42 HydrophobicContact CG-CE2 4Å; W38-Y42 HydrophobicContact CH2-CD2 4.08Å; W38-Y42 AromaticContact CZ2-CD2 3.77Å; W38-Y42 HydrophobicContact CZ2-CD2 3.77Å; W38-Y42 HydrophobicContact CZ2-CE2 4.12Å; W38-Y42 HydrophobicContact CZ3-CD2 4.16Å; W38-Y42 AromaticContact NE1-CD2 3.88Å; W38-Y42 AromaticContact NE1-CE2 3.49Å; W38-Y42 WeakPolarHBondContact O-CD2 3.33Å; W38-Y42 PolarHBondContact O-N 2.64Å; W38-Y42 VanDerWaalsContact O-N 3.09Å; Q40-Y42 PolarHBondContact O-N 2.91Å; Y42-Y44 WeakPolarHBondContact O-CD2 3.42Å; Y42-Y44 PolarHBondContact O-N 3.28Å; Y42-R92 VanDerWaalsContact CZ-CD 3.48Å; Y42-R92 VanDerWaalsContact CZ-NE 3.29Å; Y42-G94 WeakPolarHBondContact CE1-O 3.33Å; Y42-D97 PolarHBondContact O-N 3.4Å
43	G	83.6	Confident	72	Confident	10 Å²	10	62.8 Å²	62.8	10%	0.103	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	12.2	168.8	0	0	0	0	0	116.5	Q40	Q40-G43 PolarHBondContact O-N 3.24Å; Q40-G43 VanDerWaalsContact O-N 3.14Å
44	Y	83.8	Confident	70.3	Confident	19 Å²	19	66.7 Å²	66.7	8%	0.075	37%	0.366	C	S	.	.	S	Bend	trans	-81.2	-24.7	173.9	-64.5	-86.3	0	0	0	113.2	W38 L39 Y42 A64 A67 M68 Y72 D97 K98	W38-Y44 HydrophobicContact CH2-CE2 4.37Å; W38-Y44 HydrophobicContact CZ3-CD2 4.12Å; W38-Y44 HydrophobicContact CZ3-CE2 4.06Å; L39-Y44 HydrophobicContact CD2-CD2 4.02Å; L39-Y44 HydrophobicContact CD2-CG 3.85Å; L39-Y44 CarbonylContact O-C 3.6Å; L39-Y44 WeakPolarHBondContact O-CA 3.36Å; L39-Y44 WeakPolarHBondContact O-CB 3.46Å; L39-Y44 PolarHBondContact O-N 2.79Å; Y42-Y44 WeakPolarHBondContact O-CD2 3.42Å; Y42-Y44 PolarHBondContact O-N 3.28Å; Y44-A64 WeakPolarHBondContact O-CB 3.22Å; Y44-A67 HydrophobicContact CD1-CB 4.35Å; Y44-M68 HydrophobicContact CD1-CB 3.79Å; Y44-M68 HydrophobicContact CD2-CB 4.37Å; Y44-M68 HydrophobicContact CE1-CB 3.55Å; Y44-M68 HydrophobicContact CE1-CG 4.35Å; Y44-M68 HydrophobicContact CE2-CB 4.13Å; Y44-M68 HydrophobicContact CE2-CG 4.21Å; Y44-M68 HydrophobicContact CG-CB 4.21Å; Y44-Y72 VanDerWaalsContact OH-CE1 3.32Å; Y44-Y72 WeakPolarHBondContact OH-CE1 3.43Å; Y44-D97 HydrophobicContact CE2-CB 3.93Å; Y44-D97 WeakPolarHBondContact CE2-OD2 3.47Å; Y44-D97 VanDerWaalsContact OH-CB 3.32Å; Y44-D97 WeakPolarHBondContact OH-CB 3.31Å; Y44-D97 PolarHBondContact OH-OD2 2.8Å; Y44-K98 HydrophobicContact CD1-CD 4.2Å; Y44-K98 HydrophobicContact CE1-CD 4.22Å
45	L	81.4	Confident	68.6	Low	10 Å²	10	73.4 Å²	73.4	5%	0.052	39%	0.392	C	S	.	.	S	Bend	trans	-123.9	143.8	172.3	-71.8	175.1	0	0	0	109.5	L39 Q40 L61 A64	L39-L45 HydrophobicContact CB-CB 4.48Å; L39-L45 HydrophobicContact CB-CD1 3.78Å; L39-L45 HydrophobicContact CB-CG 3.98Å; L39-L45 HydrophobicContact CD1-CD1 4.31Å; L39-L45 PolarHBondContact O-N 2.81Å; Q40-L45 HydrophobicContact CG-CB 3.62Å; Q40-L45 HydrophobicContact CG-CD1 4.4Å; L45-L61 HydrophobicContact CD1-CD1 4.06Å; L45-A64 HydrophobicContact CD2-CB 3.6Å; L45-A64 HydrophobicContact CG-CB 3.79Å
46	P	69.5	Low	67.2	Low	73 Å²	73	76 Å²	76	47%	0.474	40%	0.4	S	S	.	.			trans	-66	145.4	173.2	29	-34.4	0	0	0	110.4	G48 R56	P46-G48 PolarHBondContact O-N 3.02Å; P46-R56 PolarHBondContact O-NH2 3.45Å
47	P	62.1	Low	65.9	Low	119 Å²	119	74.9 Å²	74.9	77%	0.773	40%	0.4	S	S	*	.			trans	-59.5	139.8	170.1	27.2	-34.2	0	0	0	109.4
48	G	54.3	Low	64.7	Low	32 Å²	32	77.7 Å²	77.7	33%	0.33	41%	0.414	S	S	.	.			trans	-144.4	148.8	177.9	0	0	0	0	0	111.7	P46	P46-G48 PolarHBondContact O-N 3.02Å
49	D	42.9	Very low	63.3	Low	127 Å²	127	84.2 Å²	84.2	68%	0.679	45%	0.445	S	S	*	.			trans	-56.2	139.3	176.6	-101	-36.7	0	0	0	111.4	R51 T52	D49-R51 PolarHBondContact O-N 3.28Å; D49-T52 HydrophobicContact CB-CG2 4.29Å; D49-T52 PolarHBondContact O-N 3.03Å; D49-T52 PolarHBondContact O-OG1 3.39Å
50	L	42.6	Very low	62.7	Low	154 Å²	154	86.4 Å²	86.4	81%	0.806	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-51.9	-22.1	175.9	-78.9	160.8	0	0	0	113.4	H53	L50-H53 PolarHBondContact O-CD2 3.07Å
51	R	41.6	Very low	62.6	Low	233 Å²	233	86.8 Å²	86.8	88%	0.879	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-78.2	-12.8	175.9	-73	179	159	154.3	-4.4	115.3	D49	D49-R51 PolarHBondContact O-N 3.28Å
52	T	48.4	Very low	62.7	Low	69 Å²	69	85.1 Å²	85.1	42%	0.423	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-101.3	-0.4	-175.2	63.1	0	0	0	0	114.4	D49 T54 Q55	D49-T52 HydrophobicContact CB-CG2 4.29Å; D49-T52 PolarHBondContact O-N 3.03Å; D49-T52 PolarHBondContact O-OG1 3.39Å; T52-T54 PolarHBondContact O-N 3.49Å; T52-Q55 PolarHBondContact O-N 3.38Å; T52-Q55 VanDerWaalsContact O-N 3.09Å
53	H	50.6	Low	62.6	Low	98 Å²	98	87.8 Å²	87.8	45%	0.454	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-54.3	-28.6	179.6	-85.6	-107	0	0	0	113.8	L50 Q55	L50-H53 PolarHBondContact O-CD2 3.07Å; H53-Q55 VanDerWaalsContact C-N 3.29Å; H53-Q55 PolarHBondContact O-N 3.5Å
54	T	45.2	Very low	62.7	Low	134 Å²	134	87.5 Å²	87.5	82%	0.822	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-73.6	-4.8	179.7	20.2	0	0	0	0	115.6	T52	T52-T54 PolarHBondContact O-N 3.49Å
55	Q	48.6	Very low	63	Low	184 Å²	184	87 Å²	87	86%	0.86	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-128.3	13	-177	-83.6	-164.4	-20.3	0	0	116	T52 H53	T52-Q55 PolarHBondContact O-N 3.38Å; T52-Q55 VanDerWaalsContact O-N 3.09Å; H53-Q55 VanDerWaalsContact C-N 3.29Å; H53-Q55 PolarHBondContact O-N 3.5Å
56	R	56.8	Low	63.2	Low	71 Å²	71	87.7 Å²	87.7	27%	0.268	49%	0.486	S	S	.	.			trans	-74.8	130.9	171.9	-70	-175.3	175.2	171.6	-1.3	110.6	P46	P46-R56 PolarHBondContact O-NH2 3.45Å
57	S	56.6	Low	64	Low	49 Å²	49	85.7 Å²	85.7	34%	0.343	48%	0.476	S	S	.	.			trans	-71.3	139.6	178.3	73.4	0	0	0	0	110.6	Q59 S60	S57-Q59 PolarHBondContact O-N 2.92Å; S57-S60 PolarHBondContact O-N 3.09Å; S57-S60 PolarHBondContact O-OG 3.34Å; S57-S60 PolarHBondContact OG-N 3.23Å
58	P	58.9	Low	65.3	Low	109 Å²	109	80 Å²	80	71%	0.708	44%	0.439	S	S	*	.	H	α-helix	trans	-56.7	-26.5	175	-27.6	35.8	0	0	0	113.2	L61 S62	P58-L61 PolarHBondContact O-N 2.96Å; P58-S62 PolarHBondContact O-N 3.49Å
59	Q	59.6	Low	66.9	Low	150 Å²	150	78.5 Å²	78.5	70%	0.701	42%	0.424	S	S	*	.	H	α-helix	trans	-65.6	-36	175.8	-63.1	128.3	-16.6	0	0	112.7	S57 A63	S57-Q59 PolarHBondContact O-N 2.92Å; Q59-A63 VanDerWaalsContact O-CB 3.29Å; Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 3.26Å
60	S	75.3	Confident	68.8	Low	46 Å²	46	78.8 Å²	78.8	32%	0.322	42%	0.419	S	S	.	.	H	α-helix	trans	-69.4	-38.6	178	64.2	0	0	0	0	112.2	S57 A64	S57-S60 PolarHBondContact O-N 3.09Å; S57-S60 PolarHBondContact O-OG 3.34Å; S57-S60 PolarHBondContact OG-N 3.23Å; S60-A64 WeakPolarHBondContact O-CB 3.4Å; S60-A64 PolarHBondContact O-N 2.88Å
61	L	82.7	Confident	70.7	Confident	46 Å²	46	72.3 Å²	72.3	24%	0.241	38%	0.384	C	S	.	.	H	α-helix	trans	-67.8	-45.9	176.7	-179.6	60.1	0	0	0	111.4	E36 L39 L45 P58 A63 A64 I65	E36-L61 HydrophobicContact CG-CD1 4.12Å; E36-L61 HydrophobicContact CG-CD2 4.21Å; L39-L61 HydrophobicContact CD1-CD1 3.6Å; L45-L61 HydrophobicContact CD1-CD1 4.06Å; P58-L61 PolarHBondContact O-N 2.96Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.08Å; L61-A64 WeakPolarHBondContact O-CB 3.02Å; L61-A64 PolarHBondContact O-N 3.35Å; L61-I65 HydrophobicContact CD1-CD1 4.13Å; L61-I65 HydrophobicContact CD1-CG1 4.38Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 3.47Å
62	S	85.8	Confident	72.6	Confident	51 Å²	51	62.6 Å²	62.6	36%	0.357	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-39.1	178.3	-171.6	0	0	0	0	112.4	P58 I65 A66 G78	P58-S62 PolarHBondContact O-N 3.49Å; S62-I65 PolarHBondContact O-N 2.9Å; S62-A66 VanDerWaalsContact O-CB 3.31Å; S62-A66 WeakPolarHBondContact O-CB 3.26Å; S62-A66 PolarHBondContact O-N 2.88Å; S62-G78 WeakPolarHBondContact CA-O 3.31Å; S62-G78 WeakPolarHBondContact CB-O 3.17Å; S62-G78 PolarHBondContact OG-O 3.39Å
63	A	84.9	Confident	73.9	Confident	59 Å²	59	62.3 Å²	62.3	49%	0.488	36%	0.358	S	S	.	.	H	α-helix	trans	-65.9	-39.2	173.9	0	0	0	0	0	112.8	Q59 L61 A66 A67	Q59-A63 VanDerWaalsContact O-CB 3.29Å; Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 3.26Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.08Å; A63-A66 PolarHBondContact O-N 2.95Å; A63-A67 VanDerWaalsContact O-CB 3.27Å; A63-A67 WeakPolarHBondContact O-CB 3.5Å; A63-A67 PolarHBondContact O-N 2.91Å
64	A	86.3	Confident	75.5	Confident	5 Å²	5	59.9 Å²	59.9	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-47	175.2	0	0	0	0	0	111.7	L39 Y44 L45 S60 L61 A67 M68	L39-A64 HydrophobicContact CD1-CB 4.34Å; L39-A64 HydrophobicContact CD2-CB 4.45Å; Y44-A64 WeakPolarHBondContact O-CB 3.22Å; L45-A64 HydrophobicContact CD2-CB 3.6Å; L45-A64 HydrophobicContact CG-CB 3.79Å; S60-A64 WeakPolarHBondContact O-CB 3.4Å; S60-A64 PolarHBondContact O-N 2.88Å; L61-A64 WeakPolarHBondContact O-CB 3.02Å; L61-A64 PolarHBondContact O-N 3.35Å; A64-A67 PolarHBondContact O-N 2.88Å; A64-M68 PolarHBondContact O-N 3.47Å
65	I	89.2	Confident	77.2	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-48.8	175.2	-65.6	164.5	0	0	0	110.8	L39 L61 S62 A67 M68 Q69 A80 T84	L39-I65 HydrophobicContact CD1-CG1 3.67Å; L61-I65 HydrophobicContact CD1-CD1 4.13Å; L61-I65 HydrophobicContact CD1-CG1 4.38Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 3.47Å; S62-I65 PolarHBondContact O-N 2.9Å; I65-A67 PolarHBondContact O-N 2.93Å; I65-M68 PolarHBondContact O-N 3.01Å; I65-M68 VanDerWaalsContact O-N 3.14Å; I65-Q69 HydrophobicContact CG2-CG 4.17Å; I65-Q69 WeakPolarHBondContact O-CB 3.41Å; I65-Q69 WeakPolarHBondContact O-CG 3.46Å; I65-Q69 PolarHBondContact O-N 3.39Å; I65-A80 HydrophobicContact CD1-CB 4.31Å; I65-T84 HydrophobicContact CG2-CG2 4.14Å
66	A	86.3	Confident	79	Confident	25 Å²	25	54.5 Å²	54.5	21%	0.207	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-34.9	177.9	0	0	0	0	0	112.4	S62 A63 K70 V76	S62-A66 VanDerWaalsContact O-CB 3.31Å; S62-A66 WeakPolarHBondContact O-CB 3.26Å; S62-A66 PolarHBondContact O-N 2.88Å; A63-A66 PolarHBondContact O-N 2.95Å; A66-K70 VanDerWaalsContact O-CB 3.25Å; A66-K70 WeakPolarHBondContact O-CB 3.35Å; A66-K70 PolarHBondContact O-N 2.88Å; A66-V76 HydrophobicContact CB-CG1 3.77Å
67	A	85.4	Confident	80.6	Confident	31 Å²	31	54.1 Å²	54.1	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-73.9	-32.8	177.6	0	0	0	0	0	113.1	Y44 A63 A64 I65 F71	Y44-A67 HydrophobicContact CD1-CB 4.35Å; A63-A67 VanDerWaalsContact O-CB 3.27Å; A63-A67 WeakPolarHBondContact O-CB 3.5Å; A63-A67 PolarHBondContact O-N 2.91Å; A64-A67 PolarHBondContact O-N 2.88Å; I65-A67 PolarHBondContact O-N 2.93Å; A67-F71 PolarHBondContact O-N 2.76Å
68	M	88.8	Confident	82	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-53.3	169.7	173.9	-83.1	-126.6	0	0	110.6	W38 L39 Y44 A64 I65 K70 F71 Y72 L74 T84 M88	W38-M68 HydrophobicContact CH2-CE 3.94Å; W38-M68 HydrophobicContact CH2-CG 3.9Å; W38-M68 HydrophobicContact CZ3-CE 4.04Å; W38-M68 HydrophobicContact CZ3-CG 3.82Å; L39-M68 HydrophobicContact CD2-CB 4.2Å; Y44-M68 HydrophobicContact CD1-CB 3.79Å; Y44-M68 HydrophobicContact CD2-CB 4.37Å; Y44-M68 HydrophobicContact CE1-CB 3.55Å; Y44-M68 HydrophobicContact CE1-CG 4.35Å; Y44-M68 HydrophobicContact CE2-CB 4.13Å; Y44-M68 HydrophobicContact CE2-CG 4.21Å; Y44-M68 HydrophobicContact CG-CB 4.21Å; A64-M68 PolarHBondContact O-N 3.47Å; I65-M68 PolarHBondContact O-N 3.01Å; I65-M68 VanDerWaalsContact O-N 3.14Å; M68-K70 PolarHBondContact O-N 2.94Å; M68-K70 VanDerWaalsContact O-N 3.14Å; M68-F71 WeakPolarHBondContact O-CA 3.41Å; M68-F71 WeakPolarHBondContact O-CB 3.39Å; M68-F71 PolarHBondContact O-N 3.38Å; M68-Y72 HydrophobicContact CE-CD2 3.83Å; M68-Y72 HydrophobicContact CE-CE2 3.91Å; M68-Y72 HydrophobicContact CG-CD1 4.22Å; M68-Y72 HydrophobicContact CG-CD2 3.79Å; M68-Y72 HydrophobicContact CG-CE1 4.23Å; M68-Y72 HydrophobicContact CG-CE2 3.77Å; M68-Y72 HydrophobicContact CG-CG 4.07Å; M68-Y72 WeakPolarHBondContact O-CB 3.19Å; M68-Y72 WeakPolarHBondContact O-CD1 3.26Å; M68-Y72 PolarHBondContact O-N 3.46Å; M68-Y72 HydrophobicContact SD-CD2 3.36Å; M68-Y72 WeakPolarHBondContact SD-CD2 3.49Å; M68-Y72 HydrophobicContact SD-CE2 3.84Å; M68-Y72 HydrophobicContact SD-CG 3.82Å; M68-L74 HydrophobicContact SD-CD1 4.16Å; M68-T84 HydrophobicContact CE-CG2 3.91Å; M68-M88 HydrophobicContact CE-CB 4.47Å; M68-M88 HydrophobicContact CE-CE 3.67Å; M68-M88 HydrophobicContact CE-CG 3.27Å; M68-M88 HydrophobicContact CE-SD 4.29Å
69	Q	87.9	Confident	83.6	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-51.4	-44	178.4	-73.1	169.8	-26.8	0	0	111.3	I65 Y72 G73 L74 V76 T77 K79 T84	I65-Q69 HydrophobicContact CG2-CG 4.17Å; I65-Q69 WeakPolarHBondContact O-CB 3.41Å; I65-Q69 WeakPolarHBondContact O-CG 3.46Å; I65-Q69 PolarHBondContact O-N 3.39Å; Q69-Y72 CarbonylContact O-C 3.59Å; Q69-Y72 PolarHBondContact O-N 3.35Å; Q69-G73 PolarHBondContact O-N 2.97Å; Q69-G73 VanDerWaalsContact O-N 3.15Å; Q69-L74 HydrophobicContact CB-CB 4.02Å; Q69-L74 HydrophobicContact CG-CB 4.21Å; Q69-L74 HydrophobicContact CG-CD1 4.32Å; Q69-L74 PolarHBondContact O-N 3.49Å; Q69-V76 HydrophobicContact CB-CG2 4.33Å; Q69-T77 PolarHBondContact NE2-OG1 3.48Å; Q69-K79 PolarHBondContact NE2-O 3.48Å; Q69-K79 VanDerWaalsContact NE2-O 3.1Å; Q69-T84 HydrophobicContact CG-CG2 4.34Å; Q69-T84 PolarHBondContact NE2-OG1 3.46Å
70	K	83.6	Confident	85	Confident	132 Å²	132	49 Å²	49	57%	0.574	29%	0.294	S	S	*	.	H	α-helix	trans	-66	-34.9	176.3	-177.8	174.1	-179.7	176.5	0	114.4	A66 M68 Y72 V76	A66-K70 VanDerWaalsContact O-CB 3.25Å; A66-K70 WeakPolarHBondContact O-CB 3.35Å; A66-K70 PolarHBondContact O-N 2.88Å; M68-K70 PolarHBondContact O-N 2.94Å; M68-K70 VanDerWaalsContact O-N 3.14Å; K70-Y72 VanDerWaalsContact C-N 3.29Å; K70-V76 HydrophobicContact CB-CG2 4.05Å
71	F	82.1	Confident	85.7	Confident	19 Å²	19	49 Å²	49	8%	0.083	29%	0.291	C	S	.	.	H	α-helix	trans	-70.3	-33.6	173	-167.9	-73.3	0	0	0	110.3	A67 M68 D97 H249 S250 P259	A67-F71 PolarHBondContact O-N 2.76Å; M68-F71 WeakPolarHBondContact O-CA 3.41Å; M68-F71 WeakPolarHBondContact O-CB 3.39Å; M68-F71 PolarHBondContact O-N 3.38Å; F71-D97 HydrophobicContact CZ-CB 4.45Å; F71-H249 HydrophobicContact CE1-CB 4.37Å; F71-H249 HydrophobicContact CZ-CB 3.97Å; F71-S250 WeakPolarHBondContact CE1-O 3.3Å; F71-P259 HydrophobicContact CE1-CG 4.03Å
72	Y	81.1	Confident	86	Confident	28 Å²	28	50.8 Å²	50.8	11%	0.11	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	2.4	-168.1	-73.8	20.2	0	0	0	113.1	W38 Y44 M68 Q69 K70 L74 R92 D97 P259 F260	W38-Y72 AromaticContact CH2-CE2 3.61Å; W38-Y72 HydrophobicContact CH2-CE2 3.61Å; W38-Y72 AromaticContact CH2-CZ 3.71Å; W38-Y72 VanDerWaalsContact CH2-OH 3.27Å; W38-Y72 WeakPolarHBondContact CH2-OH 3.41Å; W38-Y72 HydrophobicContact CZ2-CE2 4.03Å; Y44-Y72 VanDerWaalsContact OH-CE1 3.32Å; Y44-Y72 WeakPolarHBondContact OH-CE1 3.43Å; M68-Y72 HydrophobicContact CE-CD2 3.83Å; M68-Y72 HydrophobicContact CE-CE2 3.91Å; M68-Y72 HydrophobicContact CG-CD1 4.22Å; M68-Y72 HydrophobicContact CG-CD2 3.79Å; M68-Y72 HydrophobicContact CG-CE1 4.23Å; M68-Y72 HydrophobicContact CG-CE2 3.77Å; M68-Y72 HydrophobicContact CG-CG 4.07Å; M68-Y72 WeakPolarHBondContact O-CB 3.19Å; M68-Y72 WeakPolarHBondContact O-CD1 3.26Å; M68-Y72 PolarHBondContact O-N 3.46Å; M68-Y72 HydrophobicContact SD-CD2 3.36Å; M68-Y72 WeakPolarHBondContact SD-CD2 3.49Å; M68-Y72 HydrophobicContact SD-CE2 3.84Å; M68-Y72 HydrophobicContact SD-CG 3.82Å; Q69-Y72 CarbonylContact O-C 3.59Å; Q69-Y72 PolarHBondContact O-N 3.35Å; K70-Y72 VanDerWaalsContact C-N 3.29Å; Y72-L74 PolarHBondContact O-N 2.93Å; Y72-R92 PolarHBondContact OH-NH1 3.46Å; Y72-D97 VanDerWaalsContact CE1-OD2 3.22Å; Y72-D97 WeakPolarHBondContact CE1-OD2 3.29Å; Y72-D97 VanDerWaalsContact CZ-OD2 3.31Å; Y72-D97 PolarHBondContact OH-OD2 2.81Å; Y72-P259 HydrophobicContact CE1-CG 3.97Å; Y72-F260 HydrophobicContact CD2-CE1 4.48Å; Y72-F260 AromaticContact CD2-CE2 3.29Å; Y72-F260 HydrophobicContact CD2-CE2 3.29Å; Y72-F260 AromaticContact CD2-CZ 3.28Å; Y72-F260 HydrophobicContact CD2-CZ 3.28Å; Y72-F260 AromaticContact CE2-CE1 3.92Å; Y72-F260 HydrophobicContact CE2-CE1 3.92Å; Y72-F260 AromaticContact CE2-CE2 3.42Å; Y72-F260 HydrophobicContact CE2-CE2 3.42Å; Y72-F260 VanDerWaalsContact CE2-CE2 3.42Å; Y72-F260 AromaticContact CE2-CZ 3.07Å; Y72-F260 HydrophobicContact CE2-CZ 3.07Å; Y72-F260 AromaticContact CG-CE2 3.86Å; Y72-F260 HydrophobicContact CG-CE2 3.86Å; Y72-F260 HydrophobicContact CG-CZ 4.29Å; Y72-F260 AromaticContact CZ-CZ 3.95Å
73	G	77.3	Confident	86	Confident	63 Å²	63	53.9 Å²	53.9	65%	0.649	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	13.2	-175.6	0	0	0	0	0	114.5	Q69	Q69-G73 PolarHBondContact O-N 2.97Å; Q69-G73 VanDerWaalsContact O-N 3.15Å
74	L	82.3	Confident	86.3	Confident	47 Å²	47	51.1 Å²	51.1	25%	0.246	30%	0.301	C	S	.	.			trans	-80	161.5	179.6	-55.8	177.8	0	0	0	111.4	M68 Q69 Y72 V76 A87	M68-L74 HydrophobicContact SD-CD1 4.16Å; Q69-L74 HydrophobicContact CB-CB 4.02Å; Q69-L74 HydrophobicContact CG-CB 4.21Å; Q69-L74 HydrophobicContact CG-CD1 4.32Å; Q69-L74 PolarHBondContact O-N 3.49Å; Y72-L74 PolarHBondContact O-N 2.93Å; L74-V76 PolarHBondContact O-N 2.93Å; L74-A87 HydrophobicContact CD1-CB 3.65Å; L74-A87 HydrophobicContact CD2-CB 4.31Å
75	Q	81.6	Confident	86.5	Confident	120 Å²	120	53 Å²	53	56%	0.561	31%	0.309	S	S	*	.			trans	-60.5	125.6	168.9	-69.6	-69.8	-1.4	0	0	109.8	T77 D351	Q75-T77 PolarHBondContact O-N 3.44Å; Q75-D351 PolarHBondContact NE2-OD2 3.38Å; Q75-D351 VanDerWaalsContact NE2-OD2 3.16Å
76	V	86.9	Confident	86.4	Confident	86 Å²	86	60 Å²	60	52%	0.521	34%	0.339	S	S	.	.			trans	-84.9	86.9	-173.1	-175	0	0	0	0	109.6	A66 Q69 K70 L74	A66-V76 HydrophobicContact CB-CG1 3.77Å; Q69-V76 HydrophobicContact CB-CG2 4.33Å; K70-V76 HydrophobicContact CB-CG2 4.05Å; L74-V76 PolarHBondContact O-N 2.93Å
77	T	89.3	Confident	86.5	Confident	63 Å²	63	59 Å²	59	39%	0.387	33%	0.332	S	S	.	.			trans	-95	-20.6	178.8	68.6	0	0	0	0	113.2	Q69 Q75 K79 D81	Q69-T77 PolarHBondContact NE2-OG1 3.48Å; Q75-T77 PolarHBondContact O-N 3.44Å; T77-K79 PolarHBondContact O-N 3.3Å; T77-K79 PolarHBondContact OG1-N 2.92Å; T77-K79 PolarHBondContact OG1-O 2.97Å; T77-D81 WeakPolarHBondContact CB-OD2 3.3Å; T77-D81 VanDerWaalsContact CG2-OD2 3.26Å; T77-D81 WeakPolarHBondContact CG2-OD2 3.42Å; T77-D81 PolarHBondContact OG1-OD2 3.09Å
78	G	87.6	Confident	86.7	Confident	7 Å²	7	57.8 Å²	57.8	7%	0.072	32%	0.321	C	S	.	.	S	Bend	trans	65.4	19.7	-171.3	0	0	0	0	0	113.9	S62	S62-G78 WeakPolarHBondContact CA-O 3.31Å; S62-G78 WeakPolarHBondContact CB-O 3.17Å; S62-G78 PolarHBondContact OG-O 3.39Å
79	K	91.3	Very high	86.7	Confident	147 Å²	147	65 Å²	65	64%	0.639	35%	0.348	S	S	*	.	S	Bend	trans	-131	147.3	-176.9	-64	177.3	-176	177.8	0	110.6	Q69 T77 D81 T84	Q69-K79 PolarHBondContact NE2-O 3.48Å; Q69-K79 VanDerWaalsContact NE2-O 3.1Å; T77-K79 PolarHBondContact O-N 3.3Å; T77-K79 PolarHBondContact OG1-N 2.92Å; T77-K79 PolarHBondContact OG1-O 2.97Å; K79-D81 PolarHBondContact O-N 2.85Å; K79-T84 PolarHBondContact O-OG1 3.35Å
80	A	89	Confident	86.7	Confident	45 Å²	45	68.1 Å²	68.1	37%	0.372	36%	0.36	S	S	.	.			trans	-77.3	64.1	171.6	0	0	0	0	0	110.3	P35 I65 M85	P35-A80 HydrophobicContact CG-CB 4.39Å; I65-A80 HydrophobicContact CD1-CB 4.31Å; A80-M85 HydrophobicContact CB-CG 4.34Å; A80-M85 HydrophobicContact CB-SD 3.89Å
81	D	90.1	Very high	87	Confident	48 Å²	48	63.6 Å²	63.6	26%	0.257	34%	0.344	S	S	.	.			trans	-72.2	172.8	174.1	51.9	46.2	0	0	0	112.1	T77 K79 D83 T84 M85	T77-D81 WeakPolarHBondContact CB-OD2 3.3Å; T77-D81 VanDerWaalsContact CG2-OD2 3.26Å; T77-D81 WeakPolarHBondContact CG2-OD2 3.42Å; T77-D81 PolarHBondContact OG1-OD2 3.09Å; K79-D81 PolarHBondContact O-N 2.85Å; D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact O-N 2.95Å; D81-T84 PolarHBondContact O-N 2.84Å; D81-T84 VanDerWaalsContact O-N 3.16Å; D81-T84 WeakPolarHBondContact OD1-CB 3.22Å; D81-T84 PolarHBondContact OD1-N 2.7Å; D81-T84 PolarHBondContact OD1-OG1 3.01Å; D81-M85 WeakPolarHBondContact O-CB 3.41Å; D81-M85 VanDerWaalsContact O-CG 3.29Å; D81-M85 WeakPolarHBondContact O-CG 3.36Å; D81-M85 PolarHBondContact O-N 3.26Å
82	A	90.1	Very high	87.6	Confident	82 Å²	82	62.7 Å²	62.7	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-57.5	-39.4	-173.9	0	0	0	0	0	113	K86	A82-K86 VanDerWaalsContact O-CB 3.25Å; A82-K86 WeakPolarHBondContact O-CB 3.14Å; A82-K86 PolarHBondContact O-N 2.83Å
83	D	85.9	Confident	88.2	Confident	117 Å²	117	61.6 Å²	61.6	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-71.1	-40.4	178.1	-66.9	-37.9	0	0	0	111.7	D81 K86 A87	D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact O-N 2.95Å; D83-K86 PolarHBondContact O-N 3.28Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.33Å
84	T	89.8	Confident	88.8	Confident	1 Å²	1	59 Å²	59	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-44.1	173.4	-57.3	0	0	0	0	111.4	I65 M68 Q69 K79 D81 A87 M88	I65-T84 HydrophobicContact CG2-CG2 4.14Å; M68-T84 HydrophobicContact CE-CG2 3.91Å; Q69-T84 HydrophobicContact CG-CG2 4.34Å; Q69-T84 PolarHBondContact NE2-OG1 3.46Å; K79-T84 PolarHBondContact O-OG1 3.35Å; D81-T84 PolarHBondContact O-N 2.84Å; D81-T84 VanDerWaalsContact O-N 3.16Å; D81-T84 WeakPolarHBondContact OD1-CB 3.22Å; D81-T84 PolarHBondContact OD1-N 2.7Å; D81-T84 PolarHBondContact OD1-OG1 3.01Å; T84-A87 PolarHBondContact O-N 3.2Å; T84-M88 HydrophobicContact CG2-CE 4.21Å; T84-M88 WeakPolarHBondContact O-CG 3.34Å; T84-M88 PolarHBondContact O-N 2.85Å
85	M	90.8	Very high	89.1	Confident	43 Å²	43	57.2 Å²	57.2	21%	0.212	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-38.3	177.3	-68.5	-62.6	-70.6	0	0	112.2	F33 P35 A80 D81 A87 M88 R89	F33-M85 HydrophobicContact CD1-CE 3.62Å; F33-M85 HydrophobicContact CE1-CE 3.88Å; F33-M85 HydrophobicContact CE1-SD 4.35Å; P35-M85 HydrophobicContact CG-CE 3.87Å; P35-M85 HydrophobicContact CG-SD 3.56Å; P35-M85 VanDerWaalsContact CG-SD 3.56Å; A80-M85 HydrophobicContact CB-CG 4.34Å; A80-M85 HydrophobicContact CB-SD 3.89Å; D81-M85 WeakPolarHBondContact O-CB 3.41Å; D81-M85 VanDerWaalsContact O-CG 3.29Å; D81-M85 WeakPolarHBondContact O-CG 3.36Å; D81-M85 PolarHBondContact O-N 3.26Å; M85-A87 VanDerWaalsContact C-N 3.34Å; M85-M88 HydrophobicContact SD-SD 4.27Å; M85-R89 VanDerWaalsContact O-CG 3.31Å; M85-R89 WeakPolarHBondContact O-CG 3.49Å; M85-R89 PolarHBondContact O-N 2.75Å
86	K	88.5	Confident	89.3	Confident	155 Å²	155	53.5 Å²	53.5	67%	0.674	29%	0.287	S	S	*	.	H	α-helix	trans	-64.1	-40.4	172.6	-177.2	178.4	178.8	-179	0	111.1	A82 D83 R89	A82-K86 VanDerWaalsContact O-CB 3.25Å; A82-K86 WeakPolarHBondContact O-CB 3.14Å; A82-K86 PolarHBondContact O-N 2.83Å; D83-K86 PolarHBondContact O-N 3.28Å; K86-R89 PolarHBondContact O-N 2.96Å
87	A	86.9	Confident	89.3	Confident	6 Å²	6	49.9 Å²	49.9	5%	0.05	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-46.5	176.6	0	0	0	0	0	112.1	L74 D83 T84 M85 R89 R90 F260	L74-A87 HydrophobicContact CD1-CB 3.65Å; L74-A87 HydrophobicContact CD2-CB 4.31Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.33Å; T84-A87 PolarHBondContact O-N 3.2Å; M85-A87 VanDerWaalsContact C-N 3.34Å; A87-R89 PolarHBondContact O-N 3.47Å; A87-R90 WeakPolarHBondContact O-CB 3.44Å; A87-R90 WeakPolarHBondContact O-CG 3.39Å; A87-R90 PolarHBondContact O-N 2.82Å; A87-F260 HydrophobicContact CB-CZ 4.26Å; A87-F260 WeakPolarHBondContact O-CE1 3.32Å; A87-F260 VanDerWaalsContact O-CZ 3.22Å; A87-F260 WeakPolarHBondContact O-CZ 3.33Å
88	M	89.4	Confident	88.5	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-28.1	178	-73.3	-179.5	168.3	0	0	113.9	F33 P35 W38 L39 M68 T84 M85	F33-M88 HydrophobicContact CE1-CB 4.07Å; F33-M88 HydrophobicContact CE1-SD 3.94Å; F33-M88 HydrophobicContact CZ-CB 3.62Å; F33-M88 HydrophobicContact CZ-CG 4.4Å; F33-M88 HydrophobicContact CZ-SD 4.08Å; P35-M88 HydrophobicContact CB-CE 4.09Å; P35-M88 HydrophobicContact CB-SD 3.94Å; P35-M88 HydrophobicContact CG-SD 4.41Å; W38-M88 HydrophobicContact CD2-CB 4.27Å; W38-M88 HydrophobicContact CD2-CG 3.97Å; W38-M88 HydrophobicContact CD2-SD 4.33Å; W38-M88 HydrophobicContact CE3-CE 3.92Å; W38-M88 HydrophobicContact CE3-CG 4.12Å; W38-M88 HydrophobicContact CE3-SD 4.33Å; W38-M88 HydrophobicContact CH2-CG 4.42Å; W38-M88 HydrophobicContact CZ2-CB 4.39Å; W38-M88 HydrophobicContact CZ2-CG 4.22Å; W38-M88 HydrophobicContact CZ3-CE 4.29Å; W38-M88 HydrophobicContact CZ3-CG 4.38Å; W38-M88 PolarHBondContact NE1-O 3.28Å; L39-M88 HydrophobicContact CD1-CE 4.27Å; L39-M88 HydrophobicContact CD2-CE 4.12Å; L39-M88 HydrophobicContact CG-CE 4.02Å; M68-M88 HydrophobicContact CE-CB 4.47Å; M68-M88 HydrophobicContact CE-CE 3.67Å; M68-M88 HydrophobicContact CE-CG 3.27Å; M68-M88 HydrophobicContact CE-SD 4.29Å; T84-M88 HydrophobicContact CG2-CE 4.21Å; T84-M88 WeakPolarHBondContact O-CG 3.34Å; T84-M88 PolarHBondContact O-N 2.85Å; M85-M88 HydrophobicContact SD-SD 4.27Å
89	R	88.8	Confident	87.6	Confident	151 Å²	151	50.6 Å²	50.6	57%	0.57	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.3	179	-68.2	171.9	-177.9	-93.5	5.1	114.3	F33 M85 K86 A87	F33-R89 HydrophobicContact CD2-CG 4.37Å; F33-R89 HydrophobicContact CE2-CG 4.42Å; M85-R89 VanDerWaalsContact O-CG 3.31Å; M85-R89 WeakPolarHBondContact O-CG 3.49Å; M85-R89 PolarHBondContact O-N 2.75Å; K86-R89 PolarHBondContact O-N 2.96Å; A87-R89 PolarHBondContact O-N 3.47Å
90	R	87.7	Confident	85.5	Confident	67 Å²	67	46.4 Å²	46.4	25%	0.253	26%	0.259	S	S	.	.	S	Bend	trans	-71.4	140.4	174	-68.9	170.8	61.3	-178.7	-1.3	109.5	A87 F260	A87-R90 WeakPolarHBondContact O-CB 3.44Å; A87-R90 WeakPolarHBondContact O-CG 3.39Å; A87-R90 PolarHBondContact O-N 2.82Å; R90-F260 HydrophobicContact CB-CD1 3.55Å; R90-F260 HydrophobicContact CB-CE1 3.67Å; R90-F260 HydrophobicContact CB-CG 4.37Å; R90-F260 HydrophobicContact CG-CD1 4.46Å; R90-F260 HydrophobicContact CG-CE1 4.39Å
91	P	91.5	Very high	83.3	Confident	36 Å²	36	47.8 Å²	47.8	23%	0.234	27%	0.27	C	S	.	.			trans	-56.5	140.8	171	-21.6	31.6	0	0	0	111.7	G197 L199 Y261	P91-G197 WeakPolarHBondContact CA-O 3.03Å; P91-L199 HydrophobicContact CB-CD1 4.13Å; P91-L199 HydrophobicContact CB-CD2 3.71Å; P91-L199 HydrophobicContact CB-CG 3.95Å; P91-Y261 PolarHBondContact O-N 3.23Å
92	R	93	Very high	81.4	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-154.7	164.7	-171	58.1	162.5	-65.8	154.3	17.6	112.7	Y42 Y72 V95 D97 G197 L199 H249 P259 F260	Y42-R92 VanDerWaalsContact CZ-CD 3.48Å; Y42-R92 VanDerWaalsContact CZ-NE 3.29Å; Y72-R92 PolarHBondContact OH-NH1 3.46Å; R92-V95 PolarHBondContact NH2-O 3.43Å; R92-V95 VanDerWaalsContact NH2-O 3.17Å; R92-D97 IonicContact CZ-OD1 2.69Å; R92-D97 IonicContact NH1-OD1 2.74Å; R92-D97 PolarHBondContact NH1-OD1 3.01Å; R92-D97 IonicContact NH1-OD2 3.61Å; R92-D97 PolarHBondContact NH1-OD2 2.68Å; R92-D97 IonicContact NH2-OD1 3.7Å; R92-D97 PolarHBondContact NH2-OD1 3Å; R92-G197 WeakPolarHBondContact CG-O 3.27Å; R92-G197 PolarHBondContact N-O 2.88Å; R92-L199 PolarHBondContact O-N 2.91Å; R92-H249 PolarHBondContact NH2-CE1 2.79Å; R92-P259 CarbonylContact C-O 3.1Å; R92-P259 VanDerWaalsContact CA-O 3.23Å; R92-P259 WeakPolarHBondContact CA-O 3.39Å; R92-P259 WeakPolarHBondContact CB-O 3.45Å; R92-F260 HydrophobicContact CB-CD1 4.03Å
93	C	93.8	Very high	79.4	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.034	27%	0.267	C	S	.	.			trans	-67.4	140.2	164	174.3	0	0	0	0	110.3	V95 H239 E240 P259	C93-V95 VanDerWaalsContact C-N 3.3Å; C93-V95 PolarHBondContact O-N 2.97Å; C93-V95 VanDerWaalsContact SG-CB 3.58Å; C93-V95 VanDerWaalsContact SG-CG2 3.54Å; C93-V95 PolarHBondContact SG-N 3.13Å; C93-H239 VanDerWaalsContact CB-NE2 3.25Å; C93-H239 WeakPolarHBondContact CB-NE2 3.35Å; C93-E240 VanDerWaalsContact CB-OE1 3.31Å; C93-E240 WeakPolarHBondContact CB-OE1 3.5Å; C93-E240 VanDerWaalsContact SG-CD 3.55Å; C93-E240 PolarHBondContact SG-OE1 2.73Å; C93-E240 PolarHBondContact SG-OE2 2.79Å; C93-P259 PolarHBondContact N-O 2.9Å
94	G	89.9	Confident	77.2	Confident	9 Å²	9	52.2 Å²	52.2	9%	0.093	27%	0.271	C	S	.	.	S	Bend	trans	-74.7	-12.6	178.9	0	0	0	0	0	115.7	Y42 A200	Y42-G94 WeakPolarHBondContact CE1-O 3.33Å; G94-A200 PolarHBondContact N-O 3.15Å
95	V	89.2	Confident	74.8	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.048	31%	0.31	C	S	.	.	S	Bend	trans	-61.4	136.9	180	174.1	0	0	0	0	110.1	R92 C93 F99 H201 F204 H249	R92-V95 PolarHBondContact NH2-O 3.43Å; R92-V95 VanDerWaalsContact NH2-O 3.17Å; C93-V95 VanDerWaalsContact C-N 3.3Å; C93-V95 PolarHBondContact O-N 2.97Å; C93-V95 VanDerWaalsContact SG-CB 3.58Å; C93-V95 VanDerWaalsContact SG-CG2 3.54Å; C93-V95 PolarHBondContact SG-N 3.13Å; V95-F99 HydrophobicContact CG1-CE1 4.37Å; V95-F99 HydrophobicContact CG1-CZ 3.67Å; V95-H201 HydrophobicContact CG2-CB 4.12Å; V95-F204 HydrophobicContact CG1-CE2 4.05Å; V95-F204 HydrophobicContact CG1-CZ 4.24Å; V95-H249 PolarHBondContact O-CE1 3.01Å; V95-H249 PolarHBondContact O-ND1 3.15Å
96	P	87	Confident	72.2	Confident	43 Å²	43	62.8 Å²	62.8	28%	0.279	34%	0.342	S	S	.	.			trans	-63.2	139.2	178.8	-25.4	35.1	0	0	0	113.3	K98 F99	P96-K98 PolarHBondContact O-N 3.15Å; P96-F99 HydrophobicContact CB-CE1 4.32Å; P96-F99 HydrophobicContact CG-CE1 4.44Å; P96-F99 WeakPolarHBondContact O-CE2 3.49Å; P96-F99 VanDerWaalsContact O-CZ 3.23Å; P96-F99 WeakPolarHBondContact O-CZ 3.39Å
97	D	85.7	Confident	70.1	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.048	34%	0.336	C	S	.	.	S	Bend	trans	-70.8	-15.8	177.7	-57.6	-18.1	0	0	0	112.6	Y42 Y44 F71 Y72 R92 H249	Y42-D97 PolarHBondContact O-N 3.4Å; Y44-D97 HydrophobicContact CE2-CB 3.93Å; Y44-D97 WeakPolarHBondContact CE2-OD2 3.47Å; Y44-D97 VanDerWaalsContact OH-CB 3.32Å; Y44-D97 WeakPolarHBondContact OH-CB 3.31Å; Y44-D97 PolarHBondContact OH-OD2 2.8Å; F71-D97 HydrophobicContact CZ-CB 4.45Å; Y72-D97 VanDerWaalsContact CE1-OD2 3.22Å; Y72-D97 WeakPolarHBondContact CE1-OD2 3.29Å; Y72-D97 VanDerWaalsContact CZ-OD2 3.31Å; Y72-D97 PolarHBondContact OH-OD2 2.81Å; R92-D97 IonicContact CZ-OD1 2.69Å; R92-D97 IonicContact NH1-OD1 2.74Å; R92-D97 PolarHBondContact NH1-OD1 3.01Å; R92-D97 IonicContact NH1-OD2 3.61Å; R92-D97 PolarHBondContact NH1-OD2 2.68Å; R92-D97 IonicContact NH2-OD1 3.7Å; R92-D97 PolarHBondContact NH2-OD1 3Å; D97-H249 IonicContact OD1-CE1 3.48Å; D97-H249 IonicContact OD1-CG 2.71Å; D97-H249 IonicContact OD1-ND1 3.76Å; D97-H249 PolarHBondContact OD1-ND1 2.82Å
98	K	73.4	Confident	67.9	Low	37 Å²	37	68.8 Å²	68.8	16%	0.161	37%	0.369	C	S	.	.	S	Bend	trans	-141.2	125.4	-177.1	-66.6	-177.1	-176.8	173.6	0	111.7	Y44 P96	Y44-K98 HydrophobicContact CD1-CD 4.2Å; Y44-K98 HydrophobicContact CE1-CD 4.22Å; P96-K98 PolarHBondContact O-N 3.15Å
99	F	67.5	Low	66.1	Low	48 Å²	48	75.1 Å²	75.1	21%	0.211	39%	0.393	C	S	.	.			trans	-95.8	152.6	173.9	-57	-77.5	0	0	0	111.1	V95 P96 A101 E102 Q115 F204 E248	V95-F99 HydrophobicContact CG1-CE1 4.37Å; V95-F99 HydrophobicContact CG1-CZ 3.67Å; P96-F99 HydrophobicContact CB-CE1 4.32Å; P96-F99 HydrophobicContact CG-CE1 4.44Å; P96-F99 WeakPolarHBondContact O-CE2 3.49Å; P96-F99 VanDerWaalsContact O-CZ 3.23Å; P96-F99 WeakPolarHBondContact O-CZ 3.39Å; F99-A101 PolarHBondContact O-N 2.92Å; F99-E102 PolarHBondContact O-N 2.97Å; F99-Q115 VanDerWaalsContact CD1-NE2 3.25Å; F99-F204 AromaticContact CE1-CE2 3.78Å; F99-F204 HydrophobicContact CE1-CE2 3.78Å; F99-F204 HydrophobicContact CE1-CZ 4.25Å; F99-F204 HydrophobicContact CE2-CE2 4.2Å; F99-F204 AromaticContact CE2-CZ 3.83Å; F99-F204 HydrophobicContact CE2-CZ 3.83Å; F99-F204 AromaticContact CZ-CE2 3.44Å; F99-F204 HydrophobicContact CZ-CE2 3.44Å; F99-F204 VanDerWaalsContact CZ-CE2 3.44Å; F99-F204 AromaticContact CZ-CZ 3.49Å; F99-F204 HydrophobicContact CZ-CZ 3.49Å; F99-F204 VanDerWaalsContact CZ-CZ 3.49Å; F99-E248 HydrophobicContact CD2-CG 4.22Å; F99-E248 WeakPolarHBondContact CD2-OE1 3.47Å; F99-E248 HydrophobicContact CE2-CB 4.34Å; F99-E248 HydrophobicContact CE2-CG 3.9Å
100	G	47.1	Very low	64.3	Low	59 Å²	59	74 Å²	74	61%	0.608	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-11.9	-161.9	0	0	0	0	0	118
101	A	43.2	Very low	62.3	Low	74 Å²	74	79.7 Å²	79.7	61%	0.612	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-34.6	170.6	0	0	0	0	0	113.1	F99 I103 K104	F99-A101 PolarHBondContact O-N 2.92Å; A101-I103 VanDerWaalsContact C-N 3.33Å; A101-I103 PolarHBondContact O-N 3.26Å; A101-K104 PolarHBondContact O-N 2.95Å
102	E	50	Low	60.6	Low	80 Å²	80	79.8 Å²	79.8	37%	0.374	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.3	-177.3	-65	-142.5	139.3	0	0	114.1	F99 K104	F99-E102 PolarHBondContact O-N 2.97Å; E102-K104 PolarHBondContact O-N 2.87Å
103	I	48.8	Very low	58.8	Low	95 Å²	95	80.6 Å²	80.6	49%	0.487	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.8	173.4	-58.1	-179.5	0	0	0	110.6	A101 A105	A101-I103 VanDerWaalsContact C-N 3.33Å; A101-I103 PolarHBondContact O-N 3.26Å; I103-A105 PolarHBondContact O-N 2.84Å
104	K	40	Very low	57.2	Low	166 Å²	166	80.8 Å²	80.8	72%	0.722	42%	0.417	S	S	*	.	S	Bend	trans	-85.2	106.5	167.4	-64.7	-179.8	-177.3	176.3	0	109.7	A101 E102 N106	A101-K104 PolarHBondContact O-N 2.95Å; E102-K104 PolarHBondContact O-N 2.87Å; K104-N106 PolarHBondContact O-N 2.04Å
105	A	39.6	Very low	55.8	Low	99 Å²	99	83 Å²	83	82%	0.818	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	23.4	-164.3	0	0	0	0	0	118.9	I103	I103-A105 PolarHBondContact O-N 2.84Å
106	N	36	Very low	54.7	Low	167 Å²	167	85 Å²	85	89%	0.893	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	18	-175.9	-89.2	-32.5	0	0	0	114.9	K104	K104-N106 PolarHBondContact O-N 2.04Å
107	V	43.1	Very low	54.4	Low	89 Å²	89	87 Å²	87	54%	0.539	46%	0.455	S	S	.	.			trans	-81.1	131.5	173.5	-173.6	0	0	0	0	110.3	R109	V107-R109 PolarHBondContact O-N 3.34Å; V107-R109 VanDerWaalsContact O-N 3.15Å
108	R	41.2	Very low	54.6	Low	198 Å²	198	90.5 Å²	90.5	75%	0.747	47%	0.47	S	S	*	.			trans	-64.8	111.4	173	176.5	-177	177.6	180	0	109.1	K110	R108-K110 PolarHBondContact O-N 3.11Å
109	R	50.8	Low	55.6	Low	137 Å²	137	89.4 Å²	89.4	52%	0.517	47%	0.465	S	S	.	.			trans	-49.1	128.5	172.5	-70.6	-177	175	-163.9	-9.1	110.5	V107	V107-R109 PolarHBondContact O-N 3.34Å; V107-R109 VanDerWaalsContact O-N 3.15Å
110	K	51.3	Low	56.8	Low	128 Å²	128	94.5 Å²	94.5	56%	0.557	49%	0.49	S	S	*	.			trans	-65.7	157.1	167	-65.7	177	-172.1	170.9	0	108.5	R108 Y112 I114	R108-K110 PolarHBondContact O-N 3.11Å; K110-Y112 VanDerWaalsContact CB-O 3.24Å; K110-Y112 WeakPolarHBondContact CB-O 3.43Å; K110-I114 PolarHBondContact NZ-O 2.95Å
111	R	46.5	Very low	58.9	Low	186 Å²	186	96.3 Å²	96.3	70%	0.702	48%	0.479	S	S	*	.	S	Bend	trans	-71.5	-25.2	175.2	179.1	177.8	-72.6	174.3	-3.7	111.9
112	Y	54.6	Low	61.3	Low	38 Å²	38	96.6 Å²	96.6	15%	0.149	47%	0.47	C	S	.	.	S	Bend	trans	-129	150.3	-176.9	-49	-77.5	0	0	0	108.6	K110 I114 D274 R277	K110-Y112 VanDerWaalsContact CB-O 3.24Å; K110-Y112 WeakPolarHBondContact CB-O 3.43Å; Y112-I114 PolarHBondContact O-N 3.26Å; Y112-D274 WeakPolarHBondContact CD1-OD1 3.48Å; Y112-R277 HydrophobicContact CD1-CB 4.07Å; Y112-R277 HydrophobicContact CE1-CB 3.43Å; Y112-R277 VanDerWaalsContact CE1-CB 3.43Å; Y112-R277 HydrophobicContact CE1-CG 4.4Å
113	A	56.7	Low	63.6	Low	18 Å²	18	97.8 Å²	97.8	15%	0.149	48%	0.475	C	S	.	.			trans	-78.1	101.4	-179.1	0	0	0	0	0	109.5	L247 E248 H249	A113-L247 WeakPolarHBondContact O-CA 3.18Å; A113-E248 VanDerWaalsContact CB-C 3.49Å; A113-E248 HydrophobicContact CB-CB 3.79Å; A113-E248 WeakPolarHBondContact CB-O 3.34Å; A113-E248 PolarHBondContact O-N 3.41Å; A113-H249 VanDerWaalsContact CB-C 3.49Å; A113-H249 WeakPolarHBondContact CB-O 3.48Å
114	I	59.4	Low	65.9	Low	9 Å²	9	93.3 Å²	93.3	5%	0.046	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-149.3	111.5	-169.3	-59.7	178	0	0	0	108.7	K110 Y112 G116 L247 E248 Q281 L282	K110-I114 PolarHBondContact NZ-O 2.95Å; Y112-I114 PolarHBondContact O-N 3.26Å; I114-G116 VanDerWaalsContact C-N 3.3Å; I114-G116 PolarHBondContact O-N 3.49Å; I114-L247 HydrophobicContact CG1-CD2 4.38Å; I114-E248 VanDerWaalsContact C-CD 3.45Å; I114-E248 PolarHBondContact N-OE2 2.92Å; I114-Q281 HydrophobicContact CD1-CB 3.86Å; I114-Q281 HydrophobicContact CD1-CG 3.99Å; I114-L282 HydrophobicContact CD1-CG 4.47Å; I114-L282 HydrophobicContact CG2-CD1 4.23Å; I114-L282 HydrophobicContact CG2-CD2 3.49Å; I114-L282 VanDerWaalsContact CG2-CD2 3.49Å; I114-L282 HydrophobicContact CG2-CG 3.95Å
115	Q	61.3	Low	68.6	Low	55 Å²	55	86 Å²	86	26%	0.257	42%	0.422	S	S	.	.			trans	-71.9	-30	-179.1	-156.5	175	59.2	0	0	111.6	F99 F204 G246 E248	F99-Q115 VanDerWaalsContact CD1-NE2 3.25Å; Q115-F204 HydrophobicContact CB-CD1 4.17Å; Q115-F204 HydrophobicContact CB-CE1 4Å; Q115-G246 PolarHBondContact N-O 3.3Å; Q115-E248 VanDerWaalsContact CA-CD 3.46Å; Q115-E248 VanDerWaalsContact CA-OE1 3.28Å; Q115-E248 WeakPolarHBondContact CA-OE1 3.43Å; Q115-E248 HydrophobicContact CB-CG 3.72Å; Q115-E248 WeakPolarHBondContact CB-OE1 3.48Å; Q115-E248 HydrophobicContact CG-CG 4.42Å; Q115-E248 WeakPolarHBondContact CG-OE1 3.32Å; Q115-E248 VanDerWaalsContact N-CD 3.27Å; Q115-E248 PolarHBondContact N-OE2 3.39Å
116	G	65.4	Low	71.3	Confident	51 Å²	51	81.8 Å²	81.8	53%	0.526	39%	0.385	S	S	.	.	S	Bend	trans	99.9	-4.7	-178.8	0	0	0	0	0	113.8	I114	I114-G116 VanDerWaalsContact C-N 3.3Å; I114-G116 PolarHBondContact O-N 3.49Å
117	L	80.2	Confident	74.3	Confident	84 Å²	84	73.8 Å²	73.8	44%	0.44	34%	0.342	S	S	.	.			trans	-74.8	133.8	161.7	-59.5	-177.8	0	0	0	108.7	F204 G246	L117-F204 HydrophobicContact CB-CB 4.46Å; L117-F204 HydrophobicContact CD1-CB 3.86Å; L117-G246 WeakPolarHBondContact O-CA 3.45Å
118	K	89.9	Confident	76.9	Confident	82 Å²	82	69.9 Å²	69.9	36%	0.357	32%	0.318	S	S	.	.			trans	-154.1	154.8	177.1	75.7	168.8	-154.4	166.7	0	111.1	Q120 L282 Y283	K118-Q120 PolarHBondContact O-NE2 2.91Å; K118-L282 HydrophobicContact CB-CD2 4.14Å; K118-L282 HydrophobicContact CD-CD2 4.34Å; K118-L282 WeakPolarHBondContact CD-O 3.35Å; K118-L282 PolarHBondContact NZ-O 3.15Å; K118-Y283 HydrophobicContact CB-CE1 4.16Å; K118-Y283 HydrophobicContact CD-CE1 4.43Å
119	W	94.6	Very high	79.5	Confident	15 Å²	15	63.4 Å²	63.4	6%	0.057	30%	0.297	C	S	.	.			trans	-62.7	139.5	169.1	-62.2	105.8	0	0	0	110.4	Y121 I124 D176 I177 P205 G206 G210 A244 Y283	W119-Y121 VanDerWaalsContact C-N 3.34Å; W119-Y121 HydrophobicContact CE3-CE1 4.14Å; W119-Y121 HydrophobicContact CE3-CE2 4.14Å; W119-Y121 AromaticContact CE3-CZ 3.62Å; W119-Y121 VanDerWaalsContact CZ3-OH 3.24Å; W119-Y121 WeakPolarHBondContact CZ3-OH 3.48Å; W119-I124 HydrophobicContact CB-CD1 3.99Å; W119-I124 HydrophobicContact CB-CG1 4.33Å; W119-I124 VanDerWaalsContact CD1-CD1 3.47Å; W119-I124 HydrophobicContact CG-CD1 3.73Å; W119-I124 HydrophobicContact CG-CG1 4.15Å; W119-D176 HydrophobicContact CH2-CB 3.91Å; W119-D176 WeakPolarHBondContact CH2-O 3.46Å; W119-D176 HydrophobicContact CZ2-CB 4.29Å; W119-D176 HydrophobicContact CZ3-CB 4.18Å; W119-I177 HydrophobicContact CZ2-CG1 4.33Å; W119-P205 HydrophobicContact CD2-CB 3.98Å; W119-P205 HydrophobicContact CG-CB 4.13Å; W119-P205 HydrophobicContact CG-CG 4.49Å; W119-P205 HydrophobicContact CZ2-CB 4.24Å; W119-G206 WeakPolarHBondContact CH2-O 3.45Å; W119-G210 VanDerWaalsContact CH2-O 3.26Å; W119-G210 WeakPolarHBondContact CH2-O 3.49Å; W119-A244 PolarHBondContact NE1-O 3.47Å; W119-Y283 HydrophobicContact CB-CE1 4.19Å; W119-Y283 PolarHBondContact N-OH 3.26Å
120	Q	92.4	Very high	81.6	Confident	155 Å²	155	59.6 Å²	59.6	72%	0.724	29%	0.287	S	S	*	.	S	Bend	trans	-91.6	-2.8	-177.6	-57.8	-56.9	-55.7	0	0	112.7	K118	K118-Q120 PolarHBondContact O-NE2 2.91Å
121	Y	92.9	Very high	83.8	Confident	97 Å²	97	58.2 Å²	58.2	38%	0.38	28%	0.278	S	S	.	.	S	Bend	trans	-133.5	159.9	-178.3	43.3	-88.7	0	0	0	109.3	W119 E123 I124 D176	W119-Y121 VanDerWaalsContact C-N 3.34Å; W119-Y121 HydrophobicContact CE3-CE1 4.14Å; W119-Y121 HydrophobicContact CE3-CE2 4.14Å; W119-Y121 AromaticContact CE3-CZ 3.62Å; W119-Y121 VanDerWaalsContact CZ3-OH 3.24Å; W119-Y121 WeakPolarHBondContact CZ3-OH 3.48Å; Y121-E123 VanDerWaalsContact CD2-O 3.25Å; Y121-E123 WeakPolarHBondContact CD2-O 3.5Å; Y121-I124 HydrophobicContact CD2-CG1 4.42Å; Y121-I124 HydrophobicContact CE2-CG1 4.42Å; Y121-D176 PolarHBondContact OH-OD1 2.9Å
122	N	93.3	Very high	86.2	Confident	80 Å²	80	49.3 Å²	49.3	43%	0.428	25%	0.245	S	C	.	.	S	Bend	trans	-97.4	-23.9	-174.2	-67.8	1.3	0	0	0	113.7	L157 R158	N122-L157 HydrophobicContact CB-CD2 4.31Å; N122-L157 CarbonylContact O-C 3.58Å; N122-L157 WeakPolarHBondContact O-CA 3.32Å; N122-R158 PolarHBondContact O-N 3.09Å
123	E	96.7	Very high	88.1	Confident	105 Å²	105	52.6 Å²	52.6	49%	0.491	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.3	175.4	-173.4	178.9	144.4	0	0	109.3	Y121 R158 R160	Y121-E123 VanDerWaalsContact CD2-O 3.25Å; Y121-E123 WeakPolarHBondContact CD2-O 3.5Å; E123-R158 CarbonylContact C-O 3.24Å; E123-R158 WeakPolarHBondContact CA-O 3.41Å; E123-R160 IonicContact OE1-CZ 3.5Å; E123-R160 IonicContact OE1-NE 3.45Å; E123-R160 IonicContact OE1-NH1 2.98Å; E123-R160 PolarHBondContact OE1-NH1 2.66Å
124	I	97.2	Very high	89.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.2	-177.2	-60.2	166.2	0	0	0	108	W119 Y121 L157 R158 F159 R160 D176 I177 L245	W119-I124 HydrophobicContact CB-CD1 3.99Å; W119-I124 HydrophobicContact CB-CG1 4.33Å; W119-I124 VanDerWaalsContact CD1-CD1 3.47Å; W119-I124 HydrophobicContact CG-CD1 3.73Å; W119-I124 HydrophobicContact CG-CG1 4.15Å; Y121-I124 HydrophobicContact CD2-CG1 4.42Å; Y121-I124 HydrophobicContact CE2-CG1 4.42Å; I124-L157 HydrophobicContact CD1-CD1 4Å; I124-L157 HydrophobicContact CD1-CD2 3.93Å; I124-L157 HydrophobicContact CD1-CG 4.44Å; I124-R158 PolarHBondContact N-O 3.17Å; I124-F159 HydrophobicContact CB-CD1 3.94Å; I124-F159 HydrophobicContact CB-CE1 4Å; I124-F159 HydrophobicContact CD1-CE1 3.89Å; I124-F159 HydrophobicContact CG2-CD1 4.26Å; I124-F159 HydrophobicContact CG2-CE1 4.25Å; I124-F159 VanDerWaalsContact O-CA 3.32Å; I124-F159 WeakPolarHBondContact O-CA 3.42Å; I124-R160 PolarHBondContact O-N 3.15Å; I124-D176 HydrophobicContact CG2-CB 3.84Å; I124-I177 HydrophobicContact CG2-CD1 3.86Å; I124-I177 HydrophobicContact CG2-CG1 4.27Å; I124-L245 HydrophobicContact CD1-CD2 3.79Å
125	T	96.9	Very high	91.6	Very high	14 Å²	14	57.9 Å²	57.9	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.9	175.3	59.2	0	0	0	0	111.2	R160 V162 A175 D176 I177	T125-R160 CarbonylContact C-O 3.54Å; T125-R160 VanDerWaalsContact CA-O 3.27Å; T125-R160 WeakPolarHBondContact CA-O 3.35Å; T125-R160 HydrophobicContact CG2-CB 4.37Å; T125-V162 HydrophobicContact CG2-CG2 4.17Å; T125-A175 WeakPolarHBondContact OG1-CA 3.49Å; T125-D176 WeakPolarHBondContact CB-OD2 3.2Å; T125-D176 PolarHBondContact N-OD2 2.75Å; T125-D176 WeakPolarHBondContact O-CB 3.26Å; T125-D176 PolarHBondContact O-N 2.88Å; T125-D176 VanDerWaalsContact O-N 3.14Å; T125-D176 VanDerWaalsContact OG1-CG 3.31Å; T125-D176 PolarHBondContact OG1-N 3.2Å; T125-D176 PolarHBondContact OG1-OD2 2.91Å; T125-I177 PolarHBondContact O-N 3.28Å
126	F	97.9	Very high	93.2	Very high	9 Å²	9	56.3 Å²	56.3	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.6	172.2	74.4	-87.1	0	0	0	111.5	I128 R145 F148 F159 R160 E161 V162 I177	F126-I128 HydrophobicContact CD2-CG1 4.25Å; F126-I128 HydrophobicContact CE2-CD1 4.25Å; F126-I128 HydrophobicContact CE2-CG1 4.14Å; F126-R145 HydrophobicContact CZ-CG 4.44Å; F126-F148 HydrophobicContact CB-CE1 4.11Å; F126-F148 HydrophobicContact CB-CE2 3.86Å; F126-F148 HydrophobicContact CB-CZ 3.41Å; F126-F148 VanDerWaalsContact CB-CZ 3.41Å; F126-F148 HydrophobicContact CD1-CD1 4.33Å; F126-F148 HydrophobicContact CD1-CD2 4.01Å; F126-F148 HydrophobicContact CD1-CE1 4.13Å; F126-F148 AromaticContact CD1-CE2 3.81Å; F126-F148 HydrophobicContact CD1-CE2 3.81Å; F126-F148 HydrophobicContact CD1-CG 4.26Å; F126-F148 AromaticContact CD1-CZ 3.86Å; F126-F148 HydrophobicContact CD1-CZ 3.86Å; F126-F148 AromaticContact CD2-CD2 3.9Å; F126-F148 HydrophobicContact CD2-CD2 3.9Å; F126-F148 AromaticContact CD2-CE2 3.28Å; F126-F148 HydrophobicContact CD2-CE2 3.28Å; F126-F148 AromaticContact CD2-CZ 3.82Å; F126-F148 HydrophobicContact CD2-CZ 3.82Å; F126-F148 AromaticContact CE1-CD2 3.9Å; F126-F148 HydrophobicContact CE1-CD2 3.9Å; F126-F148 HydrophobicContact CE1-CE2 4.13Å; F126-F148 HydrophobicContact CE1-CG 4.16Å; F126-F148 AromaticContact CE2-CD2 3.79Å; F126-F148 HydrophobicContact CE2-CD2 3.79Å; F126-F148 AromaticContact CE2-CE2 3.65Å; F126-F148 HydrophobicContact CE2-CE2 3.65Å; F126-F148 AromaticContact CG-CD2 4Å; F126-F148 HydrophobicContact CG-CD2 4Å; F126-F148 HydrophobicContact CG-CE1 4.12Å; F126-F148 AromaticContact CG-CE2 3.36Å; F126-F148 HydrophobicContact CG-CE2 3.36Å; F126-F148 AromaticContact CG-CZ 3.42Å; F126-F148 HydrophobicContact CG-CZ 3.42Å; F126-F148 VanDerWaalsContact CG-CZ 3.42Å; F126-F148 AromaticContact CZ-CD2 3.79Å; F126-F148 HydrophobicContact CZ-CD2 3.79Å; F126-F148 HydrophobicContact CZ-CE2 4.05Å; F126-F148 HydrophobicContact CZ-CG 4.43Å; F126-F159 HydrophobicContact CD1-CB 4.01Å; F126-F159 HydrophobicContact CE1-CB 3.95Å; F126-R160 PolarHBondContact N-O 3.17Å; F126-E161 HydrophobicContact CD2-CG 4.28Å; F126-E161 HydrophobicContact CE1-CB 3.84Å; F126-E161 HydrophobicContact CE1-CG 4.47Å; F126-E161 HydrophobicContact CE2-CB 3.93Å; F126-E161 HydrophobicContact CE2-CG 3.64Å; F126-E161 HydrophobicContact CZ-CB 3.51Å; F126-E161 HydrophobicContact CZ-CG 3.76Å; F126-E161 CarbonylContact O-C 3.59Å; F126-E161 WeakPolarHBondContact O-CA 3.33Å; F126-V162 PolarHBondContact O-N 2.98Å; F126-I177 CarbonylContact C-O 3.6Å; F126-I177 WeakPolarHBondContact CA-O 3.38Å; F126-I177 HydrophobicContact CB-CB 4.05Å; F126-I177 HydrophobicContact CB-CG2 4.37Å
127	C	97.6	Very high	94.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.3	178	170.7	0	0	0	0	110.7	V162 Y164 I167 A175 I177 M178 I179	C127-V162 WeakPolarHBondContact CB-O 3.36Å; C127-V162 PolarHBondContact SG-O 3.02Å; C127-Y164 VanDerWaalsContact SG-CA 3.51Å; C127-Y164 VanDerWaalsContact SG-CB 3.58Å; C127-I167 HydrophobicContact CB-CD1 3.69Å; C127-A175 HydrophobicContact CB-CB 3.82Å; C127-I177 PolarHBondContact N-O 3.2Å; C127-M178 HydrophobicContact CB-CE 4.16Å; C127-M178 HydrophobicContact CB-SD 3.76Å; C127-I179 PolarHBondContact O-N 2.84Å
128	I	97.8	Very high	95.5	Very high	6 Å²	6	63.3 Å²	63.3	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.6	171.6	-46.2	173.8	0	0	0	108.2	F126 N130 Y141 I144	F126-I128 HydrophobicContact CD2-CG1 4.25Å; F126-I128 HydrophobicContact CE2-CD1 4.25Å; F126-I128 HydrophobicContact CE2-CG1 4.14Å; I128-N130 WeakPolarHBondContact CG2-O 3.48Å; I128-Y141 HydrophobicContact CB-CD1 4.29Å; I128-Y141 HydrophobicContact CB-CE1 4.07Å; I128-Y141 HydrophobicContact CD1-CD1 4.07Å; I128-Y141 HydrophobicContact CD1-CG 4.12Å; I128-Y141 HydrophobicContact CG2-CD1 3.65Å; I128-Y141 HydrophobicContact CG2-CE1 3.38Å; I128-I144 HydrophobicContact CD1-CB 3.88Å; I128-I144 HydrophobicContact CD1-CD1 4.17Å; I128-I144 HydrophobicContact CD1-CG2 3.7Å; I128-I144 HydrophobicContact CG1-CD1 4.48Å; I128-I144 HydrophobicContact CG1-CG2 4.03Å; I128-I144 HydrophobicContact CG2-CD1 3.98Å
129	Q	95.6	Very high	95.8	Very high	63 Å²	63	60.4 Å²	60.4	29%	0.294	29%	0.293	S	S	.	.			trans	-85.1	-35.3	-171.6	165	172.5	27.7	0	0	113.4	Y164 I179 F180	Q129-Y164 HydrophobicContact CB-CD2 3.94Å; Q129-Y164 HydrophobicContact CB-CE2 4.04Å; Q129-Y164 HydrophobicContact CB-CG 4.23Å; Q129-Y164 HydrophobicContact CG-CD1 4.28Å; Q129-Y164 HydrophobicContact CG-CD2 4.04Å; Q129-Y164 HydrophobicContact CG-CE1 3.93Å; Q129-Y164 HydrophobicContact CG-CE2 3.66Å; Q129-Y164 HydrophobicContact CG-CG 4.35Å; Q129-Y164 PolarHBondContact NE2-OH 2.88Å; Q129-Y164 WeakPolarHBondContact O-CD1 3.26Å; Q129-I179 WeakPolarHBondContact CB-O 3.49Å; Q129-I179 PolarHBondContact N-O 2.92Å; Q129-F180 HydrophobicContact CB-CB 4.07Å; Q129-F180 HydrophobicContact CG-CB 4.28Å
130	N	96.5	Very high	95.9	Very high	57 Å²	57	59.7 Å²	59.7	31%	0.305	29%	0.291	S	S	.	.			trans	-151.6	-177.8	176.7	68.9	-3.2	0	0	0	110.9	I128 F180 F181	I128-N130 WeakPolarHBondContact CG2-O 3.48Å; N130-F180 VanDerWaalsContact OD1-CA 3.32Å; N130-F180 WeakPolarHBondContact OD1-CA 3.44Å; N130-F180 WeakPolarHBondContact OD1-CB 3.24Å; N130-F181 PolarHBondContact ND2-O 3.47Å; N130-F181 PolarHBondContact OD1-N 3.27Å
131	Y	96.8	Very high	96.2	Very high	98 Å²	98	54.1 Å²	54.1	38%	0.384	26%	0.263	S	S	.	.			trans	-134.4	161.2	179.6	64.2	-90.4	0	0	0	111.2	E137	Y131-E137 HydrophobicContact CD1-CB 3.66Å; Y131-E137 HydrophobicContact CD1-CG 3.65Å; Y131-E137 HydrophobicContact CD2-CB 3.96Å; Y131-E137 HydrophobicContact CE1-CB 3.81Å; Y131-E137 HydrophobicContact CE1-CG 3.99Å; Y131-E137 HydrophobicContact CE2-CB 4.11Å; Y131-E137 HydrophobicContact CG-CB 3.74Å; Y131-E137 HydrophobicContact CG-CG 4.1Å
132	T	95.8	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.			trans	-86.4	127.6	171.4	171.9	0	0	0	0	111	K134 V135 G136 T140 F181 W221 I233	T132-K134 PolarHBondContact O-N 2.95Å; T132-K134 VanDerWaalsContact O-N 3.16Å; T132-K134 PolarHBondContact OG1-N 3.47Å; T132-V135 HydrophobicContact CG2-CG2 4.16Å; T132-G136 PolarHBondContact O-N 3.23Å; T132-G136 VanDerWaalsContact O-N 3.09Å; T132-T140 HydrophobicContact CG2-CG2 4.35Å; T132-F181 HydrophobicContact CG2-CD1 4.04Å; T132-F181 HydrophobicContact CG2-CE1 3.71Å; T132-F181 HydrophobicContact CG2-CZ 4.11Å; T132-W221 HydrophobicContact CG2-CB 4Å; T132-W221 HydrophobicContact CG2-CG 4.06Å; T132-I233 HydrophobicContact CG2-CD1 3.49Å; T132-I233 VanDerWaalsContact CG2-CD1 3.49Å
133	P	95	Very high	96.6	Very high	107 Å²	107	49.3 Å²	49.3	70%	0.695	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.2	-179.5	29.2	-35.6	0	0	0	113.2	V135	P133-V135 PolarHBondContact O-N 3.37Å
134	K	94.3	Very high	96.7	Very high	101 Å²	101	44.3 Å²	44.3	44%	0.439	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.3	-179	-71.2	167.2	173.1	161.8	0	113	T132 S217 A218 E219 W221	T132-K134 PolarHBondContact O-N 2.95Å; T132-K134 VanDerWaalsContact O-N 3.16Å; T132-K134 PolarHBondContact OG1-N 3.47Å; K134-S217 PolarHBondContact NZ-O 3.19Å; K134-A218 PolarHBondContact NZ-O 3.45Å; K134-E219 VanDerWaalsContact CD-O 3.28Å; K134-E219 WeakPolarHBondContact CD-O 3.47Å; K134-E219 WeakPolarHBondContact CE-O 3.34Å; K134-E219 PolarHBondContact NZ-O 3.37Å; K134-W221 HydrophobicContact CB-CB 4.41Å; K134-W221 HydrophobicContact CD-CB 4.5Å
135	V	94.9	Very high	96.7	Very high	37 Å²	37	47.8 Å²	47.8	22%	0.224	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-14	172.3	-52.1	0	0	0	0	113.3	T132 P133 A139 T140 W221 V223 I233	T132-V135 HydrophobicContact CG2-CG2 4.16Å; P133-V135 PolarHBondContact O-N 3.37Å; V135-A139 HydrophobicContact CB-CB 4.12Å; V135-A139 HydrophobicContact CG2-CB 3.92Å; V135-T140 WeakPolarHBondContact CG2-OG1 3.38Å; V135-W221 WeakPolarHBondContact CG1-O 3.28Å; V135-V223 HydrophobicContact CB-CG1 4.27Å; V135-V223 HydrophobicContact CB-CG2 4.06Å; V135-V223 HydrophobicContact CG1-CG1 4.19Å; V135-V223 HydrophobicContact CG1-CG2 4.05Å; V135-V223 HydrophobicContact CG2-CG1 4Å; V135-I233 HydrophobicContact CG1-CD1 4.47Å; V135-I233 HydrophobicContact CG2-CD1 3.49Å; V135-I233 VanDerWaalsContact CG2-CD1 3.49Å
136	G	96.1	Very high	96.7	Very high	22 Å²	22	49.9 Å²	49.9	23%	0.227	24%	0.239	C	C	.	.			trans	87.6	167.9	179.6	0	0	0	0	0	114.4	T132 T140	T132-G136 PolarHBondContact O-N 3.23Å; T132-G136 VanDerWaalsContact O-N 3.09Å; G136-T140 WeakPolarHBondContact O-CB 3.49Å; G136-T140 PolarHBondContact O-N 3.35Å; G136-T140 PolarHBondContact O-OG1 2.66Å
137	E	96.1	Very high	96.7	Very high	100 Å²	100	49.4 Å²	49.4	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-55.1	-170.8	-175.5	177	-158.9	0	0	113	Y131 A139 T140 Y141	Y131-E137 HydrophobicContact CD1-CB 3.66Å; Y131-E137 HydrophobicContact CD1-CG 3.65Å; Y131-E137 HydrophobicContact CD2-CB 3.96Å; Y131-E137 HydrophobicContact CE1-CB 3.81Å; Y131-E137 HydrophobicContact CE1-CG 3.99Å; Y131-E137 HydrophobicContact CE2-CB 4.11Å; Y131-E137 HydrophobicContact CG-CB 3.74Å; Y131-E137 HydrophobicContact CG-CG 4.1Å; E137-A139 PolarHBondContact O-N 2.86Å; E137-T140 PolarHBondContact O-N 2.9Å; E137-Y141 HydrophobicContact CG-CD2 4.26Å; E137-Y141 HydrophobicContact CG-CE1 4.36Å; E137-Y141 HydrophobicContact CG-CE2 3.95Å; E137-Y141 PolarHBondContact O-N 2.82Å
138	Y	96.8	Very high	96.8	Very high	182 Å²	182	49.7 Å²	49.7	71%	0.714	24%	0.239	S	C	*	.	H	α-helix	trans	-58.2	-47.9	-176.6	178	-91.2	0	0	0	112.2	Y141 E142	Y138-Y141 PolarHBondContact O-N 3.03Å; Y138-E142 HydrophobicContact CE1-CB 4.4Å; Y138-E142 HydrophobicContact CE1-CG 4.5Å; Y138-E142 VanDerWaalsContact O-CB 3.24Å; Y138-E142 WeakPolarHBondContact O-CB 3.28Å; Y138-E142 PolarHBondContact O-N 2.91Å
139	A	96.3	Very high	96.7	Very high	21 Å²	21	56.6 Å²	56.6	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-42.1	-179.3	0	0	0	0	0	112.1	V135 E137 Y141 E142 A143 V223	V135-A139 HydrophobicContact CB-CB 4.12Å; V135-A139 HydrophobicContact CG2-CB 3.92Å; E137-A139 PolarHBondContact O-N 2.86Å; A139-Y141 PolarHBondContact O-N 3.47Å; A139-E142 PolarHBondContact O-N 3.18Å; A139-A143 WeakPolarHBondContact O-CB 3.45Å; A139-A143 PolarHBondContact O-N 2.94Å; A139-V223 HydrophobicContact CB-CG1 4.38Å; A139-V223 HydrophobicContact CB-CG2 4.09Å
140	T	97.3	Very high	96.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-48.1	175.3	-56.1	0	0	0	0	111	T132 V135 G136 E137 I144 F181 I233	T132-T140 HydrophobicContact CG2-CG2 4.35Å; V135-T140 WeakPolarHBondContact CG2-OG1 3.38Å; G136-T140 WeakPolarHBondContact O-CB 3.49Å; G136-T140 PolarHBondContact O-N 3.35Å; G136-T140 PolarHBondContact O-OG1 2.66Å; E137-T140 PolarHBondContact O-N 2.9Å; T140-I144 HydrophobicContact CG2-CD1 3.95Å; T140-I144 WeakPolarHBondContact O-CG1 3.26Å; T140-I144 PolarHBondContact O-N 3.02Å; T140-I144 VanDerWaalsContact O-N 3.15Å; T140-F181 HydrophobicContact CG2-CD2 4.35Å; T140-F181 HydrophobicContact CG2-CE2 3.35Å; T140-F181 HydrophobicContact CG2-CZ 3.5Å; T140-F181 VanDerWaalsContact CG2-CZ 3.5Å; T140-I233 HydrophobicContact CG2-CD1 4.31Å
141	Y	97.8	Very high	96.8	Very high	37 Å²	37	51.7 Å²	51.7	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-70.6	-37.4	-177.9	-71.4	9.9	0	0	0	112	I128 E137 Y138 A139 R145	I128-Y141 HydrophobicContact CB-CD1 4.29Å; I128-Y141 HydrophobicContact CB-CE1 4.07Å; I128-Y141 HydrophobicContact CD1-CD1 4.07Å; I128-Y141 HydrophobicContact CD1-CG 4.12Å; I128-Y141 HydrophobicContact CG2-CD1 3.65Å; I128-Y141 HydrophobicContact CG2-CE1 3.38Å; E137-Y141 HydrophobicContact CG-CD2 4.26Å; E137-Y141 HydrophobicContact CG-CE1 4.36Å; E137-Y141 HydrophobicContact CG-CE2 3.95Å; E137-Y141 PolarHBondContact O-N 2.82Å; Y138-Y141 PolarHBondContact O-N 3.03Å; A139-Y141 PolarHBondContact O-N 3.47Å; Y141-R145 VanDerWaalsContact O-CB 3.32Å; Y141-R145 WeakPolarHBondContact O-CB 3.4Å; Y141-R145 VanDerWaalsContact O-CD 3.28Å; Y141-R145 WeakPolarHBondContact O-CD 3.34Å; Y141-R145 WeakPolarHBondContact O-CG 3.39Å; Y141-R145 PolarHBondContact O-N 2.66Å
142	E	97.4	Very high	96.8	Very high	74 Å²	74	49.2 Å²	49.2	35%	0.346	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-45.8	175.4	-167.2	-81.8	157.1	0	0	111.2	Y138 A139 I144 R145 K146	Y138-E142 HydrophobicContact CE1-CB 4.4Å; Y138-E142 HydrophobicContact CE1-CG 4.5Å; Y138-E142 VanDerWaalsContact O-CB 3.24Å; Y138-E142 WeakPolarHBondContact O-CB 3.28Å; Y138-E142 PolarHBondContact O-N 2.91Å; A139-E142 PolarHBondContact O-N 3.18Å; E142-I144 PolarHBondContact O-N 2.91Å; E142-R145 PolarHBondContact O-N 2.91Å; E142-K146 WeakPolarHBondContact O-CB 3.5Å; E142-K146 PolarHBondContact O-N 2.97Å
143	A	97.4	Very high	96.7	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-47.7	176	0	0	0	0	0	112.7	A139 K146 A147 V223 I233 F234	A139-A143 WeakPolarHBondContact O-CB 3.45Å; A139-A143 PolarHBondContact O-N 2.94Å; A143-K146 PolarHBondContact O-N 3.23Å; A143-A147 PolarHBondContact O-N 3.33Å; A143-V223 HydrophobicContact CB-CG1 4.21Å; A143-I233 HydrophobicContact CB-CB 4.09Å; A143-I233 HydrophobicContact CB-CG2 3.9Å; A143-F234 HydrophobicContact CB-CB 3.94Å
144	I	98.3	Very high	96.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-45.5	178.9	-66.3	163.9	0	0	0	111.2	I128 T140 E142 K146 A147 F148 I179 F181 I233 A237	I128-I144 HydrophobicContact CD1-CB 3.88Å; I128-I144 HydrophobicContact CD1-CD1 4.17Å; I128-I144 HydrophobicContact CD1-CG2 3.7Å; I128-I144 HydrophobicContact CG1-CD1 4.48Å; I128-I144 HydrophobicContact CG1-CG2 4.03Å; I128-I144 HydrophobicContact CG2-CD1 3.98Å; T140-I144 HydrophobicContact CG2-CD1 3.95Å; T140-I144 WeakPolarHBondContact O-CG1 3.26Å; T140-I144 PolarHBondContact O-N 3.02Å; T140-I144 VanDerWaalsContact O-N 3.15Å; E142-I144 PolarHBondContact O-N 2.91Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 2.9Å; I144-A147 WeakPolarHBondContact O-CB 3.38Å; I144-A147 PolarHBondContact O-N 2.96Å; I144-A147 VanDerWaalsContact O-N 3.11Å; I144-F148 HydrophobicContact CG2-CD2 4.17Å; I144-F148 HydrophobicContact CG2-CE2 3.95Å; I144-F148 WeakPolarHBondContact O-CD2 3.44Å; I144-F148 PolarHBondContact O-N 2.85Å; I144-F148 VanDerWaalsContact O-N 3.12Å; I144-I179 HydrophobicContact CD1-CG2 4.03Å; I144-I179 HydrophobicContact CG2-CD1 3.61Å; I144-F181 HydrophobicContact CD1-CE2 4.04Å; I144-F181 HydrophobicContact CD1-CZ 4.35Å; I144-I233 HydrophobicContact CG1-CG2 4.28Å; I144-A237 HydrophobicContact CG1-CB 4.45Å
145	R	98.1	Very high	96.8	Very high	73 Å²	73	43.6 Å²	43.6	28%	0.275	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-38.5	175.7	-71.8	164.2	180	149.9	2.2	111.9	F126 Y141 E142 A147 F148 R149 E161	F126-R145 HydrophobicContact CZ-CG 4.44Å; Y141-R145 VanDerWaalsContact O-CB 3.32Å; Y141-R145 WeakPolarHBondContact O-CB 3.4Å; Y141-R145 VanDerWaalsContact O-CD 3.28Å; Y141-R145 WeakPolarHBondContact O-CD 3.34Å; Y141-R145 WeakPolarHBondContact O-CG 3.39Å; Y141-R145 PolarHBondContact O-N 2.66Å; E142-R145 PolarHBondContact O-N 2.91Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-F148 PolarHBondContact O-N 2.68Å; R145-R149 WeakPolarHBondContact O-CG 3.24Å; R145-R149 PolarHBondContact O-N 3.49Å; R145-E161 WeakPolarHBondContact CG-OE2 3.37Å; R145-E161 IonicContact CZ-OE1 3.1Å; R145-E161 IonicContact CZ-OE2 2.7Å; R145-E161 IonicContact NE-OE1 3.4Å; R145-E161 PolarHBondContact NE-OE1 3.19Å; R145-E161 IonicContact NE-OE2 2.86Å; R145-E161 PolarHBondContact NE-OE2 2.91Å; R145-E161 IonicContact NH2-OE1 3.1Å; R145-E161 PolarHBondContact NH2-OE1 3.19Å; R145-E161 IonicContact NH2-OE2 3.45Å; R145-E161 PolarHBondContact NH2-OE2 2.83Å
146	K	97.6	Very high	96.8	Very high	57 Å²	57	43.8 Å²	43.8	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-37.8	175.3	-172.3	-174.3	169.8	-176.1	0	111.1	E142 A143 I144 R149 V150 F234 T266	E142-K146 WeakPolarHBondContact O-CB 3.5Å; E142-K146 PolarHBondContact O-N 2.97Å; A143-K146 PolarHBondContact O-N 3.23Å; I144-K146 VanDerWaalsContact C-N 3.28Å; I144-K146 PolarHBondContact O-N 2.9Å; K146-R149 PolarHBondContact O-N 2.79Å; K146-V150 PolarHBondContact O-N 2.96Å; K146-F234 HydrophobicContact CB-CD2 3.91Å; K146-F234 HydrophobicContact CB-CE2 4.12Å; K146-F234 HydrophobicContact CD-CD2 3.76Å; K146-F234 HydrophobicContact CD-CE2 3.83Å; K146-F234 HydrophobicContact CD-CG 4.23Å; K146-F234 HydrophobicContact CD-CZ 4.34Å; K146-F234 HydrophobicContact CG-CD2 3.77Å; K146-F234 HydrophobicContact CG-CE2 3.58Å; K146-F234 HydrophobicContact CG-CZ 4.37Å; K146-T266 PolarHBondContact NZ-O 2.98Å
147	A	98.2	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-41.5	175.2	0	0	0	0	0	112.8	A143 I144 R145 R149 V150 F234 A237 V238 L241	A143-A147 PolarHBondContact O-N 3.33Å; I144-A147 WeakPolarHBondContact O-CB 3.38Å; I144-A147 PolarHBondContact O-N 2.96Å; I144-A147 VanDerWaalsContact O-N 3.11Å; R145-A147 VanDerWaalsContact C-N 3.34Å; A147-R149 PolarHBondContact O-N 3.46Å; A147-V150 WeakPolarHBondContact O-CB 3.33Å; A147-V150 PolarHBondContact O-N 3.2Å; A147-F234 HydrophobicContact CB-CD2 4.15Å; A147-F234 HydrophobicContact CB-CE2 4.46Å; A147-A237 HydrophobicContact CB-CB 3.65Å; A147-V238 HydrophobicContact CB-CB 4.47Å; A147-V238 HydrophobicContact CB-CG2 3.62Å; A147-L241 HydrophobicContact CB-CD1 3.85Å
148	F	98.1	Very high	96.9	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-43	171.6	-81.7	-70.9	0	0	0	112.9	F126 I144 R145 V150 W151 E152 F159 I177 I179 L241	F126-F148 HydrophobicContact CB-CE1 4.11Å; F126-F148 HydrophobicContact CB-CE2 3.86Å; F126-F148 HydrophobicContact CB-CZ 3.41Å; F126-F148 VanDerWaalsContact CB-CZ 3.41Å; F126-F148 HydrophobicContact CD1-CD1 4.33Å; F126-F148 HydrophobicContact CD1-CD2 4.01Å; F126-F148 HydrophobicContact CD1-CE1 4.13Å; F126-F148 AromaticContact CD1-CE2 3.81Å; F126-F148 HydrophobicContact CD1-CE2 3.81Å; F126-F148 HydrophobicContact CD1-CG 4.26Å; F126-F148 AromaticContact CD1-CZ 3.86Å; F126-F148 HydrophobicContact CD1-CZ 3.86Å; F126-F148 AromaticContact CD2-CD2 3.9Å; F126-F148 HydrophobicContact CD2-CD2 3.9Å; F126-F148 AromaticContact CD2-CE2 3.28Å; F126-F148 HydrophobicContact CD2-CE2 3.28Å; F126-F148 AromaticContact CD2-CZ 3.82Å; F126-F148 HydrophobicContact CD2-CZ 3.82Å; F126-F148 AromaticContact CE1-CD2 3.9Å; F126-F148 HydrophobicContact CE1-CD2 3.9Å; F126-F148 HydrophobicContact CE1-CE2 4.13Å; F126-F148 HydrophobicContact CE1-CG 4.16Å; F126-F148 AromaticContact CE2-CD2 3.79Å; F126-F148 HydrophobicContact CE2-CD2 3.79Å; F126-F148 AromaticContact CE2-CE2 3.65Å; F126-F148 HydrophobicContact CE2-CE2 3.65Å; F126-F148 AromaticContact CG-CD2 4Å; F126-F148 HydrophobicContact CG-CD2 4Å; F126-F148 HydrophobicContact CG-CE1 4.12Å; F126-F148 AromaticContact CG-CE2 3.36Å; F126-F148 HydrophobicContact CG-CE2 3.36Å; F126-F148 AromaticContact CG-CZ 3.42Å; F126-F148 HydrophobicContact CG-CZ 3.42Å; F126-F148 VanDerWaalsContact CG-CZ 3.42Å; F126-F148 AromaticContact CZ-CD2 3.79Å; F126-F148 HydrophobicContact CZ-CD2 3.79Å; F126-F148 HydrophobicContact CZ-CE2 4.05Å; F126-F148 HydrophobicContact CZ-CG 4.43Å; I144-F148 HydrophobicContact CG2-CD2 4.17Å; I144-F148 HydrophobicContact CG2-CE2 3.95Å; I144-F148 WeakPolarHBondContact O-CD2 3.44Å; I144-F148 PolarHBondContact O-N 2.85Å; I144-F148 VanDerWaalsContact O-N 3.12Å; R145-F148 PolarHBondContact O-N 2.68Å; F148-V150 VanDerWaalsContact C-N 3.27Å; F148-V150 PolarHBondContact O-N 3.03Å; F148-W151 PolarHBondContact O-N 3.23Å; F148-E152 WeakPolarHBondContact O-CB 3.02Å; F148-E152 PolarHBondContact O-N 2.8Å; F148-F159 HydrophobicContact CB-CB 4.25Å; F148-F159 HydrophobicContact CB-CD2 4.09Å; F148-F159 HydrophobicContact CB-CG 4.17Å; F148-F159 HydrophobicContact CD1-CB 3.95Å; F148-F159 AromaticContact CD1-CD1 3.36Å; F148-F159 HydrophobicContact CD1-CD1 3.36Å; F148-F159 AromaticContact CD1-CD2 3.86Å; F148-F159 HydrophobicContact CD1-CD2 3.86Å; F148-F159 AromaticContact CD1-CE1 3.73Å; F148-F159 HydrophobicContact CD1-CE1 3.73Å; F148-F159 HydrophobicContact CD1-CE2 4.2Å; F148-F159 AromaticContact CD1-CG 3.43Å; F148-F159 HydrophobicContact CD1-CG 3.43Å; F148-F159 VanDerWaalsContact CD1-CG 3.43Å; F148-F159 HydrophobicContact CD1-CZ 4.14Å; F148-F159 AromaticContact CE1-CD1 3.63Å; F148-F159 HydrophobicContact CE1-CD1 3.63Å; F148-F159 AromaticContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CG 4.15Å; F148-F159 HydrophobicContact CG-CB 4.27Å; F148-F159 HydrophobicContact CG-CD1 4.43Å; F148-F159 HydrophobicContact CG-CD2 4.44Å; F148-F159 HydrophobicContact CG-CG 4.13Å; F148-I177 HydrophobicContact CE1-CD1 4.07Å; F148-I177 HydrophobicContact CZ-CD1 4.39Å; F148-I177 HydrophobicContact CZ-CG2 4.16Å; F148-I179 HydrophobicContact CE2-CD1 3.6Å; F148-I179 HydrophobicContact CZ-CD1 3.86Å; F148-L241 HydrophobicContact CD1-CD1 3.88Å; F148-L241 HydrophobicContact CD1-CD2 4.47Å; F148-L241 HydrophobicContact CD2-CD1 3.8Å; F148-L241 HydrophobicContact CE1-CD1 3.88Å; F148-L241 HydrophobicContact CE1-CD2 3.67Å; F148-L241 HydrophobicContact CE1-CG 4.38Å; F148-L241 HydrophobicContact CE2-CD1 3.78Å; F148-L241 HydrophobicContact CE2-CD2 4.05Å; F148-L241 HydrophobicContact CG-CD1 3.85Å; F148-L241 HydrophobicContact CZ-CD1 3.83Å; F148-L241 HydrophobicContact CZ-CD2 3.41Å; F148-L241 VanDerWaalsContact CZ-CD2 3.41Å; F148-L241 HydrophobicContact CZ-CG 4.29Å
149	R	96.8	Very high	97	Very high	151 Å²	151	36 Å²	36	57%	0.57	17%	0.17	S	C	*	.	H	α-helix	trans	-61.9	-31.1	178	-68.9	172	-173	158	2.7	113.3	R145 K146 A147 E152 S153	R145-R149 WeakPolarHBondContact O-CG 3.24Å; R145-R149 PolarHBondContact O-N 3.49Å; K146-R149 PolarHBondContact O-N 2.79Å; A147-R149 PolarHBondContact O-N 3.46Å; R149-E152 PolarHBondContact O-N 3Å; R149-S153 WeakPolarHBondContact O-CB 3.33Å; R149-S153 PolarHBondContact O-N 2.9Å; R149-S153 PolarHBondContact O-OG 3.29Å
150	V	97.1	Very high	97	Very high	17 Å²	17	40.2 Å²	40.2	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-50.6	174.1	169.5	0	0	0	0	110.1	K146 A147 F148 S153 F234 V238 F269 L271	K146-V150 PolarHBondContact O-N 2.96Å; A147-V150 WeakPolarHBondContact O-CB 3.33Å; A147-V150 PolarHBondContact O-N 3.2Å; F148-V150 VanDerWaalsContact C-N 3.27Å; F148-V150 PolarHBondContact O-N 3.03Å; V150-S153 PolarHBondContact O-N 2.93Å; V150-S153 PolarHBondContact O-OG 3.19Å; V150-F234 HydrophobicContact CG2-CE2 3.75Å; V150-F234 HydrophobicContact CG2-CZ 3.83Å; V150-V238 HydrophobicContact CB-CG2 4.28Å; V150-V238 HydrophobicContact CG1-CG1 4.15Å; V150-V238 HydrophobicContact CG1-CG2 4.43Å; V150-V238 HydrophobicContact CG2-CG2 4.14Å; V150-F269 HydrophobicContact CG1-CD1 4.25Å; V150-F269 HydrophobicContact CG1-CE1 3.79Å; V150-F269 HydrophobicContact CG2-CD1 3.98Å; V150-F269 HydrophobicContact CG2-CE1 4.24Å; V150-L271 HydrophobicContact CG1-CB 4.08Å; V150-L271 HydrophobicContact CG1-CD1 4Å; V150-L271 HydrophobicContact CG1-CG 4.47Å
151	W	97.2	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.6	-36.1	178.9	-66.2	117.4	0	0	0	112.9	F148 S153 A154 T155 F159 V238 L245 L247 I256 M257 L271 D275 I279	F148-W151 PolarHBondContact O-N 3.23Å; W151-S153 PolarHBondContact O-N 2.82Å; W151-A154 PolarHBondContact O-N 3.23Å; W151-T155 WeakPolarHBondContact O-CG2 3.47Å; W151-T155 PolarHBondContact O-N 2.94Å; W151-T155 PolarHBondContact O-OG1 2.96Å; W151-F159 HydrophobicContact CB-CE2 4.19Å; W151-F159 HydrophobicContact CB-CZ 4.4Å; W151-V238 HydrophobicContact CZ2-CG1 4.05Å; W151-V238 VanDerWaalsContact CZ2-O 3.24Å; W151-V238 WeakPolarHBondContact CZ2-O 3.33Å; W151-V238 PolarHBondContact NE1-O 2.84Å; W151-L245 HydrophobicContact CB-CD1 3.68Å; W151-L245 HydrophobicContact CD2-CD1 4.02Å; W151-L245 HydrophobicContact CG-CD1 3.62Å; W151-L247 HydrophobicContact CH2-CD1 3.4Å; W151-L247 HydrophobicContact CZ2-CD1 4.27Å; W151-L247 HydrophobicContact CZ3-CD1 3.73Å; W151-I256 HydrophobicContact CH2-CG2 4.47Å; W151-I256 HydrophobicContact CZ2-CG2 4.42Å; W151-M257 HydrophobicContact CH2-SD 4.46Å; W151-M257 HydrophobicContact CZ2-SD 4.28Å; W151-L271 HydrophobicContact CE3-CD1 4.33Å; W151-L271 HydrophobicContact CE3-CD2 3.86Å; W151-L271 HydrophobicContact CH2-CD1 3.77Å; W151-L271 HydrophobicContact CH2-CD2 4.43Å; W151-L271 HydrophobicContact CZ2-CD1 4.25Å; W151-L271 HydrophobicContact CZ3-CD1 3.81Å; W151-L271 HydrophobicContact CZ3-CD2 3.64Å; W151-L271 HydrophobicContact CZ3-CG 4.34Å; W151-D275 HydrophobicContact CH2-CB 4.14Å; W151-D275 HydrophobicContact CZ3-CB 4.5Å; W151-I279 HydrophobicContact CE3-CB 4.06Å; W151-I279 HydrophobicContact CE3-CD1 4.26Å; W151-I279 HydrophobicContact CE3-CG1 3.86Å; W151-I279 HydrophobicContact CE3-CG2 4.03Å; W151-I279 HydrophobicContact CZ3-CB 3.78Å; W151-I279 HydrophobicContact CZ3-CD1 4.36Å; W151-I279 HydrophobicContact CZ3-CG1 4.05Å; W151-I279 HydrophobicContact CZ3-CG2 3.87Å
152	E	95.9	Very high	97	Very high	47 Å²	47	41.8 Å²	41.8	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-47.9	173.2	-163.7	176.5	-164.9	0	0	111.1	F148 R149 A154 T155 R158 F159	F148-E152 WeakPolarHBondContact O-CB 3.02Å; F148-E152 PolarHBondContact O-N 2.8Å; R149-E152 PolarHBondContact O-N 3Å; E152-A154 PolarHBondContact O-N 3.1Å; E152-T155 PolarHBondContact O-N 3.32Å; E152-T155 VanDerWaalsContact O-N 3.16Å; E152-R158 WeakPolarHBondContact OE1-CD 3.32Å; E152-R158 IonicContact OE1-CZ 3.58Å; E152-R158 IonicContact OE1-NE 2.75Å; E152-R158 IonicContact OE1-NH1 2.62Å; E152-R158 PolarHBondContact OE1-NH1 2.91Å; E152-F159 HydrophobicContact CB-CD2 4Å; E152-F159 HydrophobicContact CB-CE2 4.12Å; E152-F159 HydrophobicContact CG-CD2 4.42Å
153	S	95	Very high	96.8	Very high	83 Å²	83	41.6 Å²	41.6	58%	0.58	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.8	-179.5	75.2	0	0	0	0	115.1	R149 V150 W151	R149-S153 WeakPolarHBondContact O-CB 3.33Å; R149-S153 PolarHBondContact O-N 2.9Å; R149-S153 PolarHBondContact O-OG 3.29Å; V150-S153 PolarHBondContact O-N 2.93Å; V150-S153 PolarHBondContact O-OG 3.19Å; W151-S153 PolarHBondContact O-N 2.82Å
154	A	95.1	Very high	96.7	Very high	7 Å²	7	45 Å²	45	6%	0.058	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-13.3	-179.6	0	0	0	0	0	113.6	W151 E152 L271 R276 I279 Q280	W151-A154 PolarHBondContact O-N 3.23Å; E152-A154 PolarHBondContact O-N 3.1Å; A154-L271 HydrophobicContact CB-CD2 3.77Å; A154-R276 HydrophobicContact CB-CG 4.4Å; A154-I279 HydrophobicContact CB-CG2 4.12Å; A154-Q280 VanDerWaalsContact O-CG 3.28Å; A154-Q280 WeakPolarHBondContact O-CG 3.34Å; A154-Q280 PolarHBondContact O-NE2 3.42Å
155	T	95.4	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-139.2	169.3	-163.3	64.6	0	0	0	0	112.2	W151 E152 L157 I279	W151-T155 WeakPolarHBondContact O-CG2 3.47Å; W151-T155 PolarHBondContact O-N 2.94Å; W151-T155 PolarHBondContact O-OG1 2.96Å; E152-T155 PolarHBondContact O-N 3.32Å; E152-T155 VanDerWaalsContact O-N 3.16Å; T155-L157 WeakPolarHBondContact OG1-CB 3.27Å; T155-L157 PolarHBondContact OG1-N 3.44Å; T155-I279 HydrophobicContact CG2-CB 4.27Å; T155-I279 HydrophobicContact CG2-CG1 3.47Å; T155-I279 VanDerWaalsContact CG2-CG1 3.47Å; T155-I279 HydrophobicContact CG2-CG2 3.86Å
156	P	95.8	Very high	96.2	Very high	41 Å²	41	49.3 Å²	49.3	27%	0.266	23%	0.234	S	C	.	.	S	Bend	trans	-85.3	13.1	167.8	35.6	-37.2	0	0	0	113.5	Y283 G284	P156-Y283 VanDerWaalsContact CD-O 3.32Å; P156-Y283 WeakPolarHBondContact CD-O 3.14Å; P156-Y283 WeakPolarHBondContact CG-O 3.28Å; P156-G284 WeakPolarHBondContact CD-O 3.35Å
157	L	96.4	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.			trans	-72.1	157.7	176	-61.7	177.2	0	0	0	110.6	N122 I124 T155 F159 L245 Y283	N122-L157 HydrophobicContact CB-CD2 4.31Å; N122-L157 CarbonylContact O-C 3.58Å; N122-L157 WeakPolarHBondContact O-CA 3.32Å; I124-L157 HydrophobicContact CD1-CD1 4Å; I124-L157 HydrophobicContact CD1-CD2 3.93Å; I124-L157 HydrophobicContact CD1-CG 4.44Å; T155-L157 WeakPolarHBondContact OG1-CB 3.27Å; T155-L157 PolarHBondContact OG1-N 3.44Å; L157-F159 HydrophobicContact CB-CE2 4.18Å; L157-F159 HydrophobicContact CB-CZ 4.04Å; L157-F159 HydrophobicContact CD1-CZ 3.97Å; L157-L245 HydrophobicContact CD1-CD1 4.43Å; L157-L245 HydrophobicContact CD1-CD2 3.7Å; L157-Y283 HydrophobicContact CD1-CD1 4.13Å; L157-Y283 HydrophobicContact CD1-CD2 3.94Å; L157-Y283 HydrophobicContact CD1-CE1 4.26Å; L157-Y283 HydrophobicContact CD1-CE2 4.08Å; L157-Y283 HydrophobicContact CD1-CG 3.96Å; L157-Y283 HydrophobicContact CD2-CD1 3.61Å; L157-Y283 HydrophobicContact CD2-CE1 3.95Å; L157-Y283 HydrophobicContact CD2-CG 4.1Å; L157-Y283 HydrophobicContact CG-CD1 4.11Å; L157-Y283 HydrophobicContact CG-CG 4.09Å
158	R	97.1	Very high	95.6	Very high	113 Å²	113	55.8 Å²	55.8	43%	0.426	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.9	173.4	-64.8	-61.8	172.2	-157.9	-11.8	108.7	N122 E123 I124 E152 E286	N122-R158 PolarHBondContact O-N 3.09Å; E123-R158 CarbonylContact C-O 3.24Å; E123-R158 WeakPolarHBondContact CA-O 3.41Å; I124-R158 PolarHBondContact N-O 3.17Å; E152-R158 WeakPolarHBondContact OE1-CD 3.32Å; E152-R158 IonicContact OE1-CZ 3.58Å; E152-R158 IonicContact OE1-NE 2.75Å; E152-R158 IonicContact OE1-NH1 2.62Å; E152-R158 PolarHBondContact OE1-NH1 2.91Å; R158-E286 IonicContact CZ-OE1 2.87Å; R158-E286 IonicContact NH1-OE1 3.91Å; R158-E286 IonicContact NH2-OE1 3.11Å; R158-E286 PolarHBondContact NH2-OE1 2.93Å
159	F	98	Very high	95.4	Very high	28 Å²	28	60.8 Å²	60.8	12%	0.123	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.8	-176	-62.5	-72.9	0	0	0	111	I124 F126 F148 W151 E152 L157 L245	I124-F159 HydrophobicContact CB-CD1 3.94Å; I124-F159 HydrophobicContact CB-CE1 4Å; I124-F159 HydrophobicContact CD1-CE1 3.89Å; I124-F159 HydrophobicContact CG2-CD1 4.26Å; I124-F159 HydrophobicContact CG2-CE1 4.25Å; I124-F159 VanDerWaalsContact O-CA 3.32Å; I124-F159 WeakPolarHBondContact O-CA 3.42Å; F126-F159 HydrophobicContact CD1-CB 4.01Å; F126-F159 HydrophobicContact CE1-CB 3.95Å; F148-F159 HydrophobicContact CB-CB 4.25Å; F148-F159 HydrophobicContact CB-CD2 4.09Å; F148-F159 HydrophobicContact CB-CG 4.17Å; F148-F159 HydrophobicContact CD1-CB 3.95Å; F148-F159 AromaticContact CD1-CD1 3.36Å; F148-F159 HydrophobicContact CD1-CD1 3.36Å; F148-F159 AromaticContact CD1-CD2 3.86Å; F148-F159 HydrophobicContact CD1-CD2 3.86Å; F148-F159 AromaticContact CD1-CE1 3.73Å; F148-F159 HydrophobicContact CD1-CE1 3.73Å; F148-F159 HydrophobicContact CD1-CE2 4.2Å; F148-F159 AromaticContact CD1-CG 3.43Å; F148-F159 HydrophobicContact CD1-CG 3.43Å; F148-F159 VanDerWaalsContact CD1-CG 3.43Å; F148-F159 HydrophobicContact CD1-CZ 4.14Å; F148-F159 AromaticContact CE1-CD1 3.63Å; F148-F159 HydrophobicContact CE1-CD1 3.63Å; F148-F159 AromaticContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CE1 3.92Å; F148-F159 HydrophobicContact CE1-CG 4.15Å; F148-F159 HydrophobicContact CG-CB 4.27Å; F148-F159 HydrophobicContact CG-CD1 4.43Å; F148-F159 HydrophobicContact CG-CD2 4.44Å; F148-F159 HydrophobicContact CG-CG 4.13Å; W151-F159 HydrophobicContact CB-CE2 4.19Å; W151-F159 HydrophobicContact CB-CZ 4.4Å; E152-F159 HydrophobicContact CB-CD2 4Å; E152-F159 HydrophobicContact CB-CE2 4.12Å; E152-F159 HydrophobicContact CG-CD2 4.42Å; L157-F159 HydrophobicContact CB-CE2 4.18Å; L157-F159 HydrophobicContact CB-CZ 4.04Å; L157-F159 HydrophobicContact CD1-CZ 3.97Å; F159-L245 HydrophobicContact CE1-CD2 3.98Å; F159-L245 HydrophobicContact CZ-CD1 4.03Å; F159-L245 HydrophobicContact CZ-CD2 3.94Å
160	R	97.3	Very high	94.9	Very high	109 Å²	109	56.5 Å²	56.5	41%	0.411	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.8	-179.2	-167	-177.7	83.5	-154.3	10.1	110.4	E123 I124 T125 F126 V162 E172	E123-R160 IonicContact OE1-CZ 3.5Å; E123-R160 IonicContact OE1-NE 3.45Å; E123-R160 IonicContact OE1-NH1 2.98Å; E123-R160 PolarHBondContact OE1-NH1 2.66Å; I124-R160 PolarHBondContact O-N 3.15Å; T125-R160 CarbonylContact C-O 3.54Å; T125-R160 VanDerWaalsContact CA-O 3.27Å; T125-R160 WeakPolarHBondContact CA-O 3.35Å; T125-R160 HydrophobicContact CG2-CB 4.37Å; F126-R160 PolarHBondContact N-O 3.17Å; R160-V162 PolarHBondContact O-N 3.06Å; R160-E172 IonicContact NH2-OE1 3.87Å
161	E	97.3	Very high	94.5	Very high	66 Å²	66	62 Å²	62	31%	0.308	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.1	175.3	-166.1	173.7	148.5	0	0	110.8	F126 R145	F126-E161 HydrophobicContact CD2-CG 4.28Å; F126-E161 HydrophobicContact CE1-CB 3.84Å; F126-E161 HydrophobicContact CE1-CG 4.47Å; F126-E161 HydrophobicContact CE2-CB 3.93Å; F126-E161 HydrophobicContact CE2-CG 3.64Å; F126-E161 HydrophobicContact CZ-CB 3.51Å; F126-E161 HydrophobicContact CZ-CG 3.76Å; F126-E161 CarbonylContact O-C 3.59Å; F126-E161 WeakPolarHBondContact O-CA 3.33Å; R145-E161 WeakPolarHBondContact CG-OE2 3.37Å; R145-E161 IonicContact CZ-OE1 3.1Å; R145-E161 IonicContact CZ-OE2 2.7Å; R145-E161 IonicContact NE-OE1 3.4Å; R145-E161 PolarHBondContact NE-OE1 3.19Å; R145-E161 IonicContact NE-OE2 2.86Å; R145-E161 PolarHBondContact NE-OE2 2.91Å; R145-E161 IonicContact NH2-OE1 3.1Å; R145-E161 PolarHBondContact NH2-OE1 3.19Å; R145-E161 IonicContact NH2-OE2 3.45Å; R145-E161 PolarHBondContact NH2-OE2 2.83Å
162	V	96.4	Very high	93.9	Very high	4 Å²	4	65 Å²	65	2%	0.024	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-103.8	119	170.4	179.2	0	0	0	0	107.5	T125 F126 C127 R160 Y164 I167 E172	T125-V162 HydrophobicContact CG2-CG2 4.17Å; F126-V162 PolarHBondContact O-N 2.98Å; C127-V162 WeakPolarHBondContact CB-O 3.36Å; C127-V162 PolarHBondContact SG-O 3.02Å; R160-V162 PolarHBondContact O-N 3.06Å; V162-Y164 PolarHBondContact O-N 2.77Å; V162-I167 HydrophobicContact CG1-CD1 4.25Å; V162-I167 HydrophobicContact CG1-CG1 4.04Å; V162-E172 WeakPolarHBondContact CG1-OE2 3.3Å; V162-E172 WeakPolarHBondContact CG2-OE2 3.39Å
163	P	94.8	Very high	93.3	Very high	69 Å²	69	72.8 Å²	72.8	45%	0.448	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-62.2	131.7	178.5	-23.5	34	0	0	0	111.6	A165 Y166	P163-A165 PolarHBondContact O-N 2.72Å; P163-Y166 HydrophobicContact CB-CD2 4.44Å; P163-Y166 WeakPolarHBondContact O-CB 3.34Å; P163-Y166 PolarHBondContact O-N 2.76Å
164	Y	94.4	Very high	93.1	Very high	73 Å²	73	72.4 Å²	72.4	29%	0.286	35%	0.345	S	S	.	.	H	α-helix	trans	-56.1	-27.3	-178.5	-178.5	-119.9	0	0	0	114.2	C127 Q129 V162 Y166 I167 R168 M178	C127-Y164 VanDerWaalsContact SG-CA 3.51Å; C127-Y164 VanDerWaalsContact SG-CB 3.58Å; Q129-Y164 HydrophobicContact CB-CD2 3.94Å; Q129-Y164 HydrophobicContact CB-CE2 4.04Å; Q129-Y164 HydrophobicContact CB-CG 4.23Å; Q129-Y164 HydrophobicContact CG-CD1 4.28Å; Q129-Y164 HydrophobicContact CG-CD2 4.04Å; Q129-Y164 HydrophobicContact CG-CE1 3.93Å; Q129-Y164 HydrophobicContact CG-CE2 3.66Å; Q129-Y164 HydrophobicContact CG-CG 4.35Å; Q129-Y164 PolarHBondContact NE2-OH 2.88Å; Q129-Y164 WeakPolarHBondContact O-CD1 3.26Å; V162-Y164 PolarHBondContact O-N 2.77Å; Y164-Y166 VanDerWaalsContact C-N 3.29Å; Y164-Y166 PolarHBondContact O-N 2.76Å; Y164-I167 PolarHBondContact O-N 2.72Å; Y164-R168 WeakPolarHBondContact O-CB 3.05Å; Y164-R168 PolarHBondContact O-N 3.41Å; Y164-M178 HydrophobicContact CD2-CE 4.33Å; Y164-M178 HydrophobicContact CE2-CE 4.4Å
165	A	93.8	Very high	93.1	Very high	38 Å²	38	72.3 Å²	72.3	31%	0.314	35%	0.345	S	S	.	.	H	α-helix	trans	-54.7	-42.3	171.6	0	0	0	0	0	112.6	P163 I167 R168 E169	P163-A165 PolarHBondContact O-N 2.72Å; A165-I167 PolarHBondContact O-N 2.72Å; A165-R168 PolarHBondContact O-N 2.86Å; A165-E169 VanDerWaalsContact O-CB 3.26Å; A165-E169 WeakPolarHBondContact O-CB 3.23Å; A165-E169 VanDerWaalsContact O-CD 3.28Å; A165-E169 WeakPolarHBondContact O-CG 3.48Å; A165-E169 PolarHBondContact O-N 2.96Å
166	Y	92.6	Very high	93.1	Very high	128 Å²	128	74 Å²	74	50%	0.502	35%	0.354	S	S	.	.	H	α-helix	trans	-66.4	-37.7	-179.2	-84.5	-133.3	0	0	0	112	P163 Y164 G170 H171	P163-Y166 HydrophobicContact CB-CD2 4.44Å; P163-Y166 WeakPolarHBondContact O-CB 3.34Å; P163-Y166 PolarHBondContact O-N 2.76Å; Y164-Y166 VanDerWaalsContact C-N 3.29Å; Y164-Y166 PolarHBondContact O-N 2.76Å; Y166-G170 PolarHBondContact O-N 2.81Å; Y166-H171 HydrophobicContact CD1-CB 4.19Å; Y166-H171 HydrophobicContact CG-CB 4.48Å; Y166-H171 WeakPolarHBondContact O-CB 3.35Å; Y166-H171 PolarHBondContact O-N 2.78Å
167	I	92.4	Very high	93.2	Very high	23 Å²	23	72 Å²	72	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-69	-46.3	175.5	-60.8	-178.7	0	0	0	110	C127 V162 Y164 A165 E169 G170 E172 A175 M178	C127-I167 HydrophobicContact CB-CD1 3.69Å; V162-I167 HydrophobicContact CG1-CD1 4.25Å; V162-I167 HydrophobicContact CG1-CG1 4.04Å; Y164-I167 PolarHBondContact O-N 2.72Å; A165-I167 PolarHBondContact O-N 2.72Å; I167-E169 VanDerWaalsContact C-N 3.29Å; I167-E169 PolarHBondContact O-N 3.45Å; I167-G170 PolarHBondContact O-N 3.32Å; I167-E172 WeakPolarHBondContact CA-O 3.16Å; I167-E172 HydrophobicContact CG1-CB 4.49Å; I167-A175 HydrophobicContact CD1-CB 4.34Å; I167-M178 HydrophobicContact CD1-CE 3.91Å; I167-M178 HydrophobicContact CD1-SD 3.75Å
168	R	91.3	Very high	93.2	Very high	169 Å²	169	72.8 Å²	72.8	64%	0.638	34%	0.344	S	S	*	.	H	α-helix	trans	-63.3	-33.1	178.6	-171.7	-173.4	65.4	-174.2	-4.1	113.2	Y164 A165 G170	Y164-R168 WeakPolarHBondContact O-CB 3.05Å; Y164-R168 PolarHBondContact O-N 3.41Å; A165-R168 PolarHBondContact O-N 2.86Å; R168-G170 VanDerWaalsContact C-N 3.28Å
169	E	92.1	Very high	93.2	Very high	110 Å²	110	67.5 Å²	67.5	51%	0.514	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.4	176.7	-73	152	-147.9	0	0	112.8	A165 I167	A165-E169 VanDerWaalsContact O-CB 3.26Å; A165-E169 WeakPolarHBondContact O-CB 3.23Å; A165-E169 VanDerWaalsContact O-CD 3.28Å; A165-E169 WeakPolarHBondContact O-CG 3.48Å; A165-E169 PolarHBondContact O-N 2.96Å; I167-E169 VanDerWaalsContact C-N 3.29Å; I167-E169 PolarHBondContact O-N 3.45Å
170	G	88.1	Confident	93.2	Very high	62 Å²	62	67.5 Å²	67.5	64%	0.639	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	16	174.8	0	0	0	0	0	114.8	Y166 I167 R168	Y166-G170 PolarHBondContact O-N 2.81Å; I167-G170 PolarHBondContact O-N 3.32Å; R168-G170 VanDerWaalsContact C-N 3.28Å
171	H	87.6	Confident	93.2	Very high	131 Å²	131	62.5 Å²	62.5	61%	0.606	31%	0.306	S	S	*	.	S	Bend	trans	-71.2	-36.6	174.6	-66.7	-59	0	0	0	112.1	Y166	Y166-H171 HydrophobicContact CD1-CB 4.19Å; Y166-H171 HydrophobicContact CG-CB 4.48Å; Y166-H171 WeakPolarHBondContact O-CB 3.35Å; Y166-H171 PolarHBondContact O-N 2.78Å
172	E	85.3	Confident	93	Very high	65 Å²	65	60.3 Å²	60.3	30%	0.304	30%	0.299	S	S	.	.	S	Bend	trans	-127.5	153.8	168.3	-65.6	-169.2	-178.3	0	0	109.3	R160 V162 I167	R160-E172 IonicContact NH2-OE1 3.87Å; V162-E172 WeakPolarHBondContact CG1-OE2 3.3Å; V162-E172 WeakPolarHBondContact CG2-OE2 3.39Å; I167-E172 WeakPolarHBondContact CA-O 3.16Å; I167-E172 HydrophobicContact CG1-CB 4.49Å
173	K	83.7	Confident	92.8	Very high	210 Å²	210	66.4 Å²	66.4	91%	0.913	33%	0.327	S	S	*	.	S	Bend	trans	-81.6	-42	-176.4	-70.6	-175.2	178	-179.2	0	113.2
174	Q	90.5	Very high	92.5	Very high	74 Å²	74	64.5 Å²	64.5	35%	0.346	32%	0.32	S	S	.	.			trans	-166.6	154.5	-178	-159.6	-172.8	-22.6	0	0	107	M178 N208 D212	Q174-M178 HydrophobicContact CG-CG 3.53Å; Q174-M178 HydrophobicContact CG-SD 3.75Å; Q174-N208 PolarHBondContact NE2-O 3.38Å; Q174-D212 PolarHBondContact NE2-OD1 3.02Å; Q174-D212 PolarHBondContact NE2-OD2 2.95Å
175	A	94.2	Very high	92.2	Very high	6 Å²	6	68.6 Å²	68.6	5%	0.05	34%	0.339	C	S	.	.			trans	-84	170.7	162.3	0	0	0	0	0	110.4	T125 C127 I167 I177 M178	T125-A175 WeakPolarHBondContact OG1-CA 3.49Å; C127-A175 HydrophobicContact CB-CB 3.82Å; I167-A175 HydrophobicContact CD1-CB 4.34Å; A175-I177 PolarHBondContact O-N 3.43Å; A175-M178 HydrophobicContact CB-SD 4Å
176	D	95.8	Very high	91.9	Very high	35 Å²	35	68.1 Å²	68.1	19%	0.187	33%	0.33	C	S	.	.	S	Bend	trans	-68.8	-25.8	174.4	-56	-72.7	0	0	0	112.4	W119 Y121 I124 T125	W119-D176 HydrophobicContact CH2-CB 3.91Å; W119-D176 WeakPolarHBondContact CH2-O 3.46Å; W119-D176 HydrophobicContact CZ2-CB 4.29Å; W119-D176 HydrophobicContact CZ3-CB 4.18Å; Y121-D176 PolarHBondContact OH-OD1 2.9Å; I124-D176 HydrophobicContact CG2-CB 3.84Å; T125-D176 WeakPolarHBondContact CB-OD2 3.2Å; T125-D176 PolarHBondContact N-OD2 2.75Å; T125-D176 WeakPolarHBondContact O-CB 3.26Å; T125-D176 PolarHBondContact O-N 2.88Å; T125-D176 VanDerWaalsContact O-N 3.14Å; T125-D176 VanDerWaalsContact OG1-CG 3.31Å; T125-D176 PolarHBondContact OG1-N 3.2Å; T125-D176 PolarHBondContact OG1-OD2 2.91Å
177	I	97.7	Very high	91.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	106.7	176.4	-64.9	171.2	0	0	0	108.8	W119 I124 T125 F126 C127 F148 A175 I179 G211 L241 A244	W119-I177 HydrophobicContact CZ2-CG1 4.33Å; I124-I177 HydrophobicContact CG2-CD1 3.86Å; I124-I177 HydrophobicContact CG2-CG1 4.27Å; T125-I177 PolarHBondContact O-N 3.28Å; F126-I177 CarbonylContact C-O 3.6Å; F126-I177 WeakPolarHBondContact CA-O 3.38Å; F126-I177 HydrophobicContact CB-CB 4.05Å; F126-I177 HydrophobicContact CB-CG2 4.37Å; C127-I177 PolarHBondContact N-O 3.2Å; F148-I177 HydrophobicContact CE1-CD1 4.07Å; F148-I177 HydrophobicContact CZ-CD1 4.39Å; F148-I177 HydrophobicContact CZ-CG2 4.16Å; A175-I177 PolarHBondContact O-N 3.43Å; I177-I179 HydrophobicContact CG2-CD1 4.07Å; I177-I179 HydrophobicContact CG2-CG1 3.79Å; I177-G211 WeakPolarHBondContact CG2-O 3.06Å; I177-L241 HydrophobicContact CG2-CD2 4.19Å; I177-A244 HydrophobicContact CD1-CB 4.03Å; I177-A244 HydrophobicContact CG1-CB 4.42Å
178	M	96.5	Very high	90.5	Very high	15 Å²	15	64.8 Å²	64.8	7%	0.074	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.5	168.5	-59	-63.3	-68.8	0	0	110.3	C127 Y164 I167 Q174 A175 D212 T213	C127-M178 HydrophobicContact CB-CE 4.16Å; C127-M178 HydrophobicContact CB-SD 3.76Å; Y164-M178 HydrophobicContact CD2-CE 4.33Å; Y164-M178 HydrophobicContact CE2-CE 4.4Å; I167-M178 HydrophobicContact CD1-CE 3.91Å; I167-M178 HydrophobicContact CD1-SD 3.75Å; Q174-M178 HydrophobicContact CG-CG 3.53Å; Q174-M178 HydrophobicContact CG-SD 3.75Å; A175-M178 HydrophobicContact CB-SD 4Å; M178-D212 WeakPolarHBondContact CA-OD1 3.45Å; M178-D212 HydrophobicContact CB-CB 4.41Å; M178-D212 VanDerWaalsContact CB-OD1 3.23Å; M178-D212 WeakPolarHBondContact CB-OD1 3.45Å; M178-D212 WeakPolarHBondContact CG-OD1 3.48Å; M178-D212 PolarHBondContact N-OD1 3.05Å; M178-D212 CarbonylContact O-C 3.52Å; M178-D212 WeakPolarHBondContact O-CA 3.21Å; M178-T213 PolarHBondContact O-N 3Å
179	I	98.3	Very high	89.8	Confident	2 Å²	2	62 Å²	62	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.2	-177.9	-53.8	-178.4	0	0	0	110.4	C127 Q129 I144 F148 I177 T213 F215 L241	C127-I179 PolarHBondContact O-N 2.84Å; Q129-I179 WeakPolarHBondContact CB-O 3.49Å; Q129-I179 PolarHBondContact N-O 2.92Å; I144-I179 HydrophobicContact CD1-CG2 4.03Å; I144-I179 HydrophobicContact CG2-CD1 3.61Å; F148-I179 HydrophobicContact CE2-CD1 3.6Å; F148-I179 HydrophobicContact CZ-CD1 3.86Å; I177-I179 HydrophobicContact CG2-CD1 4.07Å; I177-I179 HydrophobicContact CG2-CG1 3.79Å; I179-T213 WeakPolarHBondContact CA-O 3.44Å; I179-F215 HydrophobicContact CG2-CD2 4.1Å; I179-F215 HydrophobicContact CG2-CE2 3.65Å; I179-L241 HydrophobicContact CD1-CD2 4.27Å
180	F	96.7	Very high	89.1	Confident	29 Å²	29	59.1 Å²	59.1	13%	0.127	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	161.9	174.9	66.6	-95.9	0	0	0	114.2	Q129 N130 A182 H186 T213 H214 F215	Q129-F180 HydrophobicContact CB-CB 4.07Å; Q129-F180 HydrophobicContact CG-CB 4.28Å; N130-F180 VanDerWaalsContact OD1-CA 3.32Å; N130-F180 WeakPolarHBondContact OD1-CA 3.44Å; N130-F180 WeakPolarHBondContact OD1-CB 3.24Å; F180-A182 HydrophobicContact CD2-CB 3.87Å; F180-A182 HydrophobicContact CE2-CB 3.77Å; F180-H186 HydrophobicContact CE2-CB 4.23Å; F180-H186 AromaticContact CE2-CD2 3.81Å; F180-H186 AromaticContact CZ-CD2 3.93Å; F180-T213 PolarHBondContact N-O 3.36Å; F180-H214 AromaticContact CD1-CD2 3.84Å; F180-H214 AromaticContact CE1-CD2 3.22Å; F180-H214 WeakPolarHBondContact CE1-CD2 3.31Å; F180-H214 AromaticContact CE1-CE1 3.88Å; F180-H214 AromaticContact CE1-CG 3.92Å; F180-H214 AromaticContact CE1-NE2 3.23Å; F180-H214 WeakPolarHBondContact CE1-NE2 3.39Å; F180-H214 HydrophobicContact CE2-CB 4.36Å; F180-H214 AromaticContact CE2-CG 3.99Å; F180-H214 HydrophobicContact CZ-CB 4.42Å; F180-H214 AromaticContact CZ-CD2 3.38Å; F180-H214 WeakPolarHBondContact CZ-CD2 3.39Å; F180-H214 AromaticContact CZ-CE1 3.57Å; F180-H214 AromaticContact CZ-CG 3.58Å; F180-H214 AromaticContact CZ-ND1 3.66Å; F180-H214 AromaticContact CZ-NE2 3.41Å; F180-H214 WeakPolarHBondContact CZ-NE2 3.44Å; F180-H214 WeakPolarHBondContact O-CA 3.31Å; F180-F215 PolarHBondContact O-N 3.03Å
181	F	97.5	Very high	88.9	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.8	173.5	-64.6	-101.1	0	0	0	109.3	N130 T132 T140 I144 F215 S217 W221 I233	N130-F181 PolarHBondContact ND2-O 3.47Å; N130-F181 PolarHBondContact OD1-N 3.27Å; T132-F181 HydrophobicContact CG2-CD1 4.04Å; T132-F181 HydrophobicContact CG2-CE1 3.71Å; T132-F181 HydrophobicContact CG2-CZ 4.11Å; T140-F181 HydrophobicContact CG2-CD2 4.35Å; T140-F181 HydrophobicContact CG2-CE2 3.35Å; T140-F181 HydrophobicContact CG2-CZ 3.5Å; T140-F181 VanDerWaalsContact CG2-CZ 3.5Å; I144-F181 HydrophobicContact CD1-CE2 4.04Å; I144-F181 HydrophobicContact CD1-CZ 4.35Å; F181-F215 WeakPolarHBondContact CA-O 3.32Å; F181-F215 HydrophobicContact CD1-CB 3.4Å; F181-F215 VanDerWaalsContact CD1-CB 3.4Å; F181-F215 HydrophobicContact CD1-CG 4.14Å; F181-F215 HydrophobicContact CE1-CB 3.5Å; F181-F215 HydrophobicContact CE1-CD1 4.11Å; F181-F215 HydrophobicContact CE1-CD2 4.33Å; F181-F215 AromaticContact CE1-CG 3.75Å; F181-F215 HydrophobicContact CE1-CG 3.75Å; F181-F215 HydrophobicContact CE2-CD2 4.38Å; F181-F215 HydrophobicContact CG-CB 4Å; F181-F215 HydrophobicContact CZ-CB 4.17Å; F181-F215 HydrophobicContact CZ-CD1 4.38Å; F181-F215 HydrophobicContact CZ-CD2 4.14Å; F181-F215 AromaticContact CZ-CG 3.99Å; F181-F215 HydrophobicContact CZ-CG 3.99Å; F181-S217 WeakPolarHBondContact CB-OG 3.12Å; F181-W221 HydrophobicContact CE1-CD2 4.4Å; F181-I233 HydrophobicContact CZ-CD1 4.43Å; F181-I233 HydrophobicContact CZ-CG2 4.23Å
182	A	94	Very high	88.9	Confident	19 Å²	19	53.8 Å²	53.8	16%	0.157	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	165.3	178.7	0	0	0	0	0	111.6	F180 H186 F192 F215 D216 S217	F180-A182 HydrophobicContact CD2-CB 3.87Å; F180-A182 HydrophobicContact CE2-CB 3.77Å; A182-H186 HydrophobicContact CB-CB 3.38Å; A182-F192 VanDerWaalsContact O-CD2 3.29Å; A182-F192 WeakPolarHBondContact O-CD2 3.41Å; A182-F215 PolarHBondContact N-O 2.96Å; A182-D216 CarbonylContact O-C 3.59Å; A182-D216 WeakPolarHBondContact O-CA 3.45Å; A182-S217 PolarHBondContact N-OG 2.91Å; A182-S217 PolarHBondContact O-N 2.9Å
183	E	91.8	Very high	88.9	Confident	133 Å²	133	55.4 Å²	55.4	62%	0.621	31%	0.309	S	S	*	.			trans	-114.7	144	177.1	-58.8	-176.1	176.6	0	0	110.1	F185	E183-F185 PolarHBondContact O-N 2.97Å
184	G	88.9	Confident	89	Confident	28 Å²	28	46.3 Å²	46.3	29%	0.289	28%	0.275	S	S	.	.	S	Bend	trans	58.5	-131.2	173.5	0	0	0	0	0	113.5	H186 P191 F192	G184-H186 PolarHBondContact O-N 2.91Å; G184-H186 PolarHBondContact O-ND1 2.94Å; G184-P191 VanDerWaalsContact O-CA 3.3Å; G184-P191 WeakPolarHBondContact O-CA 3.49Å; G184-F192 PolarHBondContact O-N 3Å
185	F	88	Confident	88.8	Confident	159 Å²	159	50.2 Å²	50.2	70%	0.697	29%	0.293	S	S	*	.			trans	-78	116.1	177	177.6	-94.8	0	0	0	111.4	E183 D188 P191	E183-F185 PolarHBondContact O-N 2.97Å; F185-D188 WeakPolarHBondContact CE2-O 3.44Å; F185-P191 HydrophobicContact CB-CB 4.26Å
186	H	87.6	Confident	88.1	Confident	28 Å²	28	51.7 Å²	51.7	13%	0.13	31%	0.309	C	S	.	.			trans	-128.2	26.3	-168.1	57.8	-94.8	0	0	0	114.3	F180 A182 G184 D188 T190 F192 H201 H214	F180-H186 HydrophobicContact CE2-CB 4.23Å; F180-H186 AromaticContact CE2-CD2 3.81Å; F180-H186 AromaticContact CZ-CD2 3.93Å; A182-H186 HydrophobicContact CB-CB 3.38Å; G184-H186 PolarHBondContact O-N 2.91Å; G184-H186 PolarHBondContact O-ND1 2.94Å; H186-D188 IonicContact CE1-OD1 4Å; H186-D188 IonicContact NE2-OD1 3.57Å; H186-D188 IonicContact NE2-OD2 3.58Å; H186-T190 PolarHBondContact CE1-O 3.45Å; H186-F192 AromaticContact CE1-CD2 3.41Å; H186-F192 VanDerWaalsContact CE1-CD2 3.41Å; H186-F192 WeakPolarHBondContact CE1-CD2 3.48Å; H186-F192 AromaticContact CE1-CE1 4Å; H186-F192 AromaticContact CE1-CE2 3.23Å; H186-F192 WeakPolarHBondContact CE1-CE2 3.28Å; H186-F192 AromaticContact CE1-CG 3.87Å; H186-F192 AromaticContact CE1-CZ 3.53Å; H186-F192 AromaticContact ND1-CD2 3.37Å; H186-F192 WeakPolarHBondContact ND1-CD2 3.41Å; H186-F192 AromaticContact ND1-CE2 3.46Å; H186-F192 WeakPolarHBondContact ND1-CE2 3.36Å; H186-F192 AromaticContact NE2-CE2 3.8Å; H186-F192 AromaticContact NE2-CZ 3.91Å; H186-H201 AromaticContact CE1-CE1 3.7Å; H186-H201 AromaticContact NE2-CE1 3.35Å; H186-H201 PolarHBondContact NE2-CE1 2.98Å; H186-H201 VanDerWaalsContact NE2-CE1 3.35Å; H186-H201 AromaticContact NE2-NE2 3.73Å; H186-H214 AromaticContact CD2-CE1 3.98Å; H186-H214 AromaticContact CD2-CG 3.96Å; H186-H214 AromaticContact CD2-ND1 3.22Å; H186-H214 PolarHBondContact CD2-ND1 3.06Å; H186-H214 AromaticContact NE2-CE1 4Å; H186-H214 AromaticContact NE2-CG 3.75Å; H186-H214 AromaticContact NE2-ND1 2.98Å; H186-H214 PolarHBondContact NE2-ND1 2.75Å
187	G	75.6	Confident	87.6	Confident	67 Å²	67	50.8 Å²	50.8	69%	0.691	31%	0.308	S	S	*	.	S	Bend	trans	106.8	-3.6	170.3	0	0	0	0	0	115.9
188	D	79.9	Confident	86.9	Confident	15 Å²	15	51 Å²	51	8%	0.08	31%	0.309	C	S	.	.	S	Bend	trans	-123.2	-172.3	175.4	76	16.9	0	0	0	113	F185 H186 T190 H201 Y203 I209 H214	F185-D188 WeakPolarHBondContact CE2-O 3.44Å; H186-D188 IonicContact CE1-OD1 4Å; H186-D188 IonicContact NE2-OD1 3.57Å; H186-D188 IonicContact NE2-OD2 3.58Å; D188-T190 VanDerWaalsContact C-N 3.29Å; D188-T190 PolarHBondContact O-N 3Å; D188-T190 WeakPolarHBondContact OD1-CA 3.5Å; D188-T190 PolarHBondContact OD1-N 2.91Å; D188-T190 PolarHBondContact OD1-OG1 3.28Å; D188-T190 PolarHBondContact OD2-OG1 3.07Å; D188-T190 VanDerWaalsContact OD2-OG1 3.14Å; D188-H201 IonicContact OD2-CE1 2.89Å; D188-H201 PolarHBondContact OD2-CE1 3.16Å; D188-H201 IonicContact OD2-NE2 3.21Å; D188-H201 PolarHBondContact OD2-NE2 3.49Å; D188-Y203 VanDerWaalsContact CB-OH 3.27Å; D188-Y203 WeakPolarHBondContact CB-OH 3.46Å; D188-Y203 WeakPolarHBondContact OD2-CE2 3.38Å; D188-Y203 PolarHBondContact OD2-OH 3.47Å; D188-I209 HydrophobicContact CB-CD1 4.02Å; D188-H214 IonicContact OD2-CE1 3.92Å; D188-H214 PolarHBondContact OD2-CE1 2.78Å; D188-H214 IonicContact OD2-ND1 3.75Å; D188-H214 PolarHBondContact OD2-ND1 3.14Å; D188-H214 VanDerWaalsContact OD2-ND1 3.1Å
189	S	75.2	Confident	86.8	Confident	110 Å²	110	50.5 Å²	50.5	77%	0.769	31%	0.307	S	S	*	.	S	Bend	trans	-84.8	6.8	-177.7	53.2	0	0	0	0	115.1	P191	S189-P191 WeakPolarHBondContact O-CD 3.45Å
190	T	77.3	Confident	86.6	Confident	50 Å²	50	50.4 Å²	50.4	31%	0.307	31%	0.306	S	S	.	.			trans	-128.7	68.4	-168.5	27.9	0	0	0	0	110.1	H186 D188 H201 Y203	H186-T190 PolarHBondContact CE1-O 3.45Å; D188-T190 VanDerWaalsContact C-N 3.29Å; D188-T190 PolarHBondContact O-N 3Å; D188-T190 WeakPolarHBondContact OD1-CA 3.5Å; D188-T190 PolarHBondContact OD1-N 2.91Å; D188-T190 PolarHBondContact OD1-OG1 3.28Å; D188-T190 PolarHBondContact OD2-OG1 3.07Å; D188-T190 VanDerWaalsContact OD2-OG1 3.14Å; T190-H201 PolarHBondContact O-CE1 3.42Å; T190-H201 PolarHBondContact OG1-CE1 2.8Å; T190-H201 VanDerWaalsContact OG1-CE1 3.26Å; T190-Y203 PolarHBondContact OG1-OH 3.45Å
191	P	84.1	Confident	86.4	Confident	68 Å²	68	49.4 Å²	49.4	44%	0.442	30%	0.302	S	S	.	.			trans	-64.1	142.9	178.7	29.4	-35.9	0	0	0	111.2	G184 F185 S189	G184-P191 VanDerWaalsContact O-CA 3.3Å; G184-P191 WeakPolarHBondContact O-CA 3.49Å; F185-P191 HydrophobicContact CB-CB 4.26Å; S189-P191 WeakPolarHBondContact O-CD 3.45Å
192	F	88	Confident	86.3	Confident	13 Å²	13	49.4 Å²	49.4	6%	0.057	30%	0.303	C	S	.	.			trans	-72.8	155.7	174.8	-62	-55	0	0	0	112.5	A182 G184 H186 F198 H201 H214 F215 D216	A182-F192 VanDerWaalsContact O-CD2 3.29Å; A182-F192 WeakPolarHBondContact O-CD2 3.41Å; G184-F192 PolarHBondContact O-N 3Å; H186-F192 AromaticContact CE1-CD2 3.41Å; H186-F192 VanDerWaalsContact CE1-CD2 3.41Å; H186-F192 WeakPolarHBondContact CE1-CD2 3.48Å; H186-F192 AromaticContact CE1-CE1 4Å; H186-F192 AromaticContact CE1-CE2 3.23Å; H186-F192 WeakPolarHBondContact CE1-CE2 3.28Å; H186-F192 AromaticContact CE1-CG 3.87Å; H186-F192 AromaticContact CE1-CZ 3.53Å; H186-F192 AromaticContact ND1-CD2 3.37Å; H186-F192 WeakPolarHBondContact ND1-CD2 3.41Å; H186-F192 AromaticContact ND1-CE2 3.46Å; H186-F192 WeakPolarHBondContact ND1-CE2 3.36Å; H186-F192 AromaticContact NE2-CE2 3.8Å; H186-F192 AromaticContact NE2-CZ 3.91Å; F192-F198 AromaticContact CD1-CD1 3.88Å; F192-F198 HydrophobicContact CD1-CD1 3.88Å; F192-F198 AromaticContact CD1-CD2 3.89Å; F192-F198 HydrophobicContact CD1-CD2 3.89Å; F192-F198 AromaticContact CD1-CE1 3.86Å; F192-F198 HydrophobicContact CD1-CE1 3.86Å; F192-F198 AromaticContact CD1-CE2 3.82Å; F192-F198 HydrophobicContact CD1-CE2 3.82Å; F192-F198 AromaticContact CD1-CG 3.93Å; F192-F198 HydrophobicContact CD1-CG 3.93Å; F192-F198 AromaticContact CD1-CZ 3.87Å; F192-F198 HydrophobicContact CD1-CZ 3.87Å; F192-F198 HydrophobicContact CE1-CD2 4.02Å; F192-F198 HydrophobicContact CE1-CE1 4.35Å; F192-F198 AromaticContact CE1-CE2 3.63Å; F192-F198 HydrophobicContact CE1-CE2 3.63Å; F192-F198 AromaticContact CE1-CZ 3.88Å; F192-F198 HydrophobicContact CE1-CZ 3.88Å; F192-H201 AromaticContact CE1-ND1 3.7Å; F192-H214 HydrophobicContact CE2-CB 4.28Å; F192-H214 HydrophobicContact CZ-CB 3.72Å; F192-F215 WeakPolarHBondContact CE2-O 3.46Å; F192-D216 HydrophobicContact CB-CB 3.93Å; F192-D216 VanDerWaalsContact CB-CG 3.47Å; F192-D216 VanDerWaalsContact CB-OD2 3.25Å; F192-D216 WeakPolarHBondContact CB-OD2 3.43Å; F192-D216 HydrophobicContact CD1-CB 3.83Å; F192-D216 HydrophobicContact CD2-CB 3.75Å; F192-D216 HydrophobicContact CE1-CB 4.24Å; F192-D216 HydrophobicContact CE2-CB 4.16Å; F192-D216 HydrophobicContact CG-CB 3.58Å; F192-D216 HydrophobicContact CZ-CB 4.4Å
193	D	84.7	Confident	86.1	Confident	99 Å²	99	51 Å²	51	53%	0.529	31%	0.305	S	S	.	.			trans	-101.1	-6.8	-176.3	60.6	-2.4	0	0	0	114.9	F198	D193-F198 WeakPolarHBondContact OD1-CB 3.34Å; D193-F198 PolarHBondContact OD1-N 2.86Å
194	G	86.7	Confident	86.1	Confident	19 Å²	19	46 Å²	46	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	108	-146.7	174	0	0	0	0	0	112.6	G196 D216	G194-G196 PolarHBondContact O-N 2.97Å; G194-G196 VanDerWaalsContact O-N 3.14Å; G194-D216 WeakPolarHBondContact CA-OD2 3.4Å; G194-D216 PolarHBondContact N-OD2 3.4Å; G194-D216 VanDerWaalsContact O-OD2 3.08Å
195	E	86.5	Confident	86.3	Confident	156 Å²	156	45.1 Å²	45.1	73%	0.729	27%	0.27	S	S	*	.	S	Bend	trans	-72.3	111.5	-177.6	-167.2	-174.7	158.7	0	0	112.1
196	G	79.9	Confident	86.3	Confident	36 Å²	36	38.8 Å²	38.8	37%	0.371	25%	0.25	S	C	.	.	S	Bend	trans	87.7	135.2	174.8	0	0	0	0	0	112.5	G194 E219	G194-G196 PolarHBondContact O-N 2.97Å; G194-G196 VanDerWaalsContact O-N 3.14Å; G196-E219 WeakPolarHBondContact CA-OE1 3.34Å; G196-E219 VanDerWaalsContact N-CD 3.31Å; G196-E219 PolarHBondContact N-OE1 3.23Å; G196-E219 PolarHBondContact N-OE2 3.28Å
197	G	84	Confident	86.1	Confident	17 Å²	17	42.6 Å²	42.6	18%	0.175	28%	0.277	C	S	.	.	S	Bend	trans	117	-84.4	-179.8	0	0	0	0	0	109.7	P91 R92	P91-G197 WeakPolarHBondContact CA-O 3.03Å; R92-G197 WeakPolarHBondContact CG-O 3.27Å; R92-G197 PolarHBondContact N-O 2.88Å
198	F	84.6	Confident	86.5	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.022	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-98.3	93	-174.5	-171.8	175.9	0	0	0	111.6	F192 D193 A200 H201	F192-F198 AromaticContact CD1-CD1 3.88Å; F192-F198 HydrophobicContact CD1-CD1 3.88Å; F192-F198 AromaticContact CD1-CD2 3.89Å; F192-F198 HydrophobicContact CD1-CD2 3.89Å; F192-F198 AromaticContact CD1-CE1 3.86Å; F192-F198 HydrophobicContact CD1-CE1 3.86Å; F192-F198 AromaticContact CD1-CE2 3.82Å; F192-F198 HydrophobicContact CD1-CE2 3.82Å; F192-F198 AromaticContact CD1-CG 3.93Å; F192-F198 HydrophobicContact CD1-CG 3.93Å; F192-F198 AromaticContact CD1-CZ 3.87Å; F192-F198 HydrophobicContact CD1-CZ 3.87Å; F192-F198 HydrophobicContact CE1-CD2 4.02Å; F192-F198 HydrophobicContact CE1-CE1 4.35Å; F192-F198 AromaticContact CE1-CE2 3.63Å; F192-F198 HydrophobicContact CE1-CE2 3.63Å; F192-F198 AromaticContact CE1-CZ 3.88Å; F192-F198 HydrophobicContact CE1-CZ 3.88Å; D193-F198 WeakPolarHBondContact OD1-CB 3.34Å; D193-F198 PolarHBondContact OD1-N 2.86Å; F198-A200 WeakPolarHBondContact CE2-O 3.23Å; F198-H201 HydrophobicContact CE2-CB 3.87Å; F198-H201 AromaticContact CE2-ND1 3.46Å; F198-H201 WeakPolarHBondContact CE2-ND1 3.42Å; F198-H201 HydrophobicContact CZ-CB 4.18Å; F198-H201 AromaticContact CZ-ND1 3.11Å; F198-H201 WeakPolarHBondContact CZ-ND1 3.4Å
199	L	93.3	Very high	86.6	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	29%	0.289	C	S	.	.			trans	-68.2	-47.2	-175.4	-62.2	-167.8	0	0	0	113.9	P91 R92 D216 E219 W221 N231 V236 Y261	P91-L199 HydrophobicContact CB-CD1 4.13Å; P91-L199 HydrophobicContact CB-CD2 3.71Å; P91-L199 HydrophobicContact CB-CG 3.95Å; R92-L199 PolarHBondContact O-N 2.91Å; L199-D216 PolarHBondContact O-N 2.99Å; L199-E219 HydrophobicContact CD2-CG 3.74Å; L199-E219 VanDerWaalsContact CD2-OE1 3.27Å; L199-E219 WeakPolarHBondContact CD2-OE1 3.34Å; L199-E219 WeakPolarHBondContact CD2-OE2 3.44Å; L199-W221 HydrophobicContact CB-CH2 4.31Å; L199-W221 WeakPolarHBondContact O-CZ2 3.33Å; L199-N231 HydrophobicContact CD1-CB 4.22Å; L199-N231 HydrophobicContact CD2-CB 4.33Å; L199-N231 VanDerWaalsContact CD2-ND2 3.3Å; L199-N231 WeakPolarHBondContact CD2-ND2 3.22Å; L199-V236 HydrophobicContact CB-CG1 4.43Å; L199-V236 HydrophobicContact CD1-CG2 3.78Å; L199-Y261 HydrophobicContact CD1-CD2 3.91Å; L199-Y261 HydrophobicContact CD1-CG 3.84Å
200	A	94.9	Very high	87.2	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	165.8	-171.6	0	0	0	0	0	109.9	G94 F198 H214 F215 V236 E240	G94-A200 PolarHBondContact N-O 3.15Å; F198-A200 WeakPolarHBondContact CE2-O 3.23Å; A200-H214 CarbonylContact C-O 3.46Å; A200-H214 WeakPolarHBondContact CA-O 3.41Å; A200-H214 VanDerWaalsContact CB-O 3.24Å; A200-H214 WeakPolarHBondContact CB-O 3.1Å; A200-F215 HydrophobicContact CB-CD1 3.93Å; A200-F215 HydrophobicContact CB-CE1 4.39Å; A200-F215 HydrophobicContact CB-CG 4.28Å; A200-V236 HydrophobicContact CB-CG1 3.6Å; A200-E240 HydrophobicContact CB-CG 3.61Å
201	H	92.4	Very high	87.8	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.032	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.2	164.3	59.5	-112.1	0	0	0	111.3	V95 H186 D188 T190 F192 F198 Y203 T213 H214 E240	V95-H201 HydrophobicContact CG2-CB 4.12Å; H186-H201 AromaticContact CE1-CE1 3.7Å; H186-H201 AromaticContact NE2-CE1 3.35Å; H186-H201 PolarHBondContact NE2-CE1 2.98Å; H186-H201 VanDerWaalsContact NE2-CE1 3.35Å; H186-H201 AromaticContact NE2-NE2 3.73Å; D188-H201 IonicContact OD2-CE1 2.89Å; D188-H201 PolarHBondContact OD2-CE1 3.16Å; D188-H201 IonicContact OD2-NE2 3.21Å; D188-H201 PolarHBondContact OD2-NE2 3.49Å; T190-H201 PolarHBondContact O-CE1 3.42Å; T190-H201 PolarHBondContact OG1-CE1 2.8Å; T190-H201 VanDerWaalsContact OG1-CE1 3.26Å; F192-H201 AromaticContact CE1-ND1 3.7Å; F198-H201 HydrophobicContact CE2-CB 3.87Å; F198-H201 AromaticContact CE2-ND1 3.46Å; F198-H201 WeakPolarHBondContact CE2-ND1 3.42Å; F198-H201 HydrophobicContact CZ-CB 4.18Å; F198-H201 AromaticContact CZ-ND1 3.11Å; F198-H201 WeakPolarHBondContact CZ-ND1 3.4Å; H201-Y203 AromaticContact CD2-CE2 3.82Å; H201-Y203 AromaticContact NE2-CE2 3.72Å; H201-T213 CarbonylContact O-C 3.58Å; H201-T213 WeakPolarHBondContact O-CA 3.46Å; H201-H214 AromaticContact CD2-ND1 3.92Å; H201-H214 AromaticContact CE1-ND1 3.76Å; H201-H214 PolarHBondContact N-O 3.47Å; H201-H214 AromaticContact NE2-CE1 3.8Å; H201-H214 AromaticContact NE2-CG 3.62Å; H201-H214 AromaticContact NE2-ND1 3.05Å; H201-H214 PolarHBondContact NE2-ND1 3.18Å; H201-H214 PolarHBondContact O-N 3.18Å; H201-E240 WeakPolarHBondContact CA-OE2 3.36Å
202	A	94.1	Very high	88.3	Confident	5 Å²	5	38 Å²	38	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	151	163.3	0	0	0	0	0	112.5	D212 T213 E240 H243 A244	A202-D212 CarbonylContact C-O 3.51Å; A202-D212 VanDerWaalsContact CA-O 3.28Å; A202-D212 WeakPolarHBondContact CA-O 3.47Å; A202-T213 HydrophobicContact CB-CG2 4.1Å; A202-T213 WeakPolarHBondContact CB-OG1 3.46Å; A202-E240 HydrophobicContact CB-CB 3.97Å; A202-E240 VanDerWaalsContact CB-O 3.23Å; A202-E240 WeakPolarHBondContact CB-O 3.12Å; A202-E240 PolarHBondContact N-OE2 3.21Å; A202-E240 VanDerWaalsContact N-OE2 3.09Å; A202-H243 HydrophobicContact CB-CB 3.98Å; A202-A244 HydrophobicContact CB-CB 4.32Å
203	Y	89.7	Confident	88.8	Confident	53 Å²	53	37.4 Å²	37.4	21%	0.208	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-86.1	143.2	172	-69.1	-88.7	0	0	0	111	D188 T190 H201 I209 G211 D212 H214 A244	D188-Y203 VanDerWaalsContact CB-OH 3.27Å; D188-Y203 WeakPolarHBondContact CB-OH 3.46Å; D188-Y203 WeakPolarHBondContact OD2-CE2 3.38Å; D188-Y203 PolarHBondContact OD2-OH 3.47Å; T190-Y203 PolarHBondContact OG1-OH 3.45Å; H201-Y203 AromaticContact CD2-CE2 3.82Å; H201-Y203 AromaticContact NE2-CE2 3.72Å; Y203-I209 WeakPolarHBondContact CB-O 3.17Å; Y203-I209 HydrophobicContact CD1-CG2 4.19Å; Y203-I209 HydrophobicContact CD2-CD1 4.03Å; Y203-I209 HydrophobicContact CD2-CG1 3.75Å; Y203-I209 HydrophobicContact CE1-CD1 4.38Å; Y203-I209 HydrophobicContact CE1-CG2 4.38Å; Y203-I209 HydrophobicContact CE2-CD1 3.49Å; Y203-I209 VanDerWaalsContact CE2-CD1 3.49Å; Y203-I209 HydrophobicContact CE2-CG1 3.78Å; Y203-I209 HydrophobicContact CG-CG1 4.25Å; Y203-I209 HydrophobicContact CG-CG2 4.3Å; Y203-G211 VanDerWaalsContact O-CA 3.22Å; Y203-G211 WeakPolarHBondContact O-CA 3.43Å; Y203-G211 PolarHBondContact O-N 2.81Å; Y203-D212 HydrophobicContact CD2-CB 4.5Å; Y203-D212 PolarHBondContact N-O 2.91Å; Y203-H214 AromaticContact CE2-CE1 3.94Å; Y203-A244 WeakPolarHBondContact O-CA 3.17Å
204	F	92.1	Very high	89.3	Confident	27 Å²	27	32.9 Å²	32.9	12%	0.118	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.3	156.2	175.7	-68.7	-91.5	0	0	0	112.3	V95 F99 Q115 L117 G206 G210 G211 H243 L247 E248	V95-F204 HydrophobicContact CG1-CE2 4.05Å; V95-F204 HydrophobicContact CG1-CZ 4.24Å; F99-F204 AromaticContact CE1-CE2 3.78Å; F99-F204 HydrophobicContact CE1-CE2 3.78Å; F99-F204 HydrophobicContact CE1-CZ 4.25Å; F99-F204 HydrophobicContact CE2-CE2 4.2Å; F99-F204 AromaticContact CE2-CZ 3.83Å; F99-F204 HydrophobicContact CE2-CZ 3.83Å; F99-F204 AromaticContact CZ-CE2 3.44Å; F99-F204 HydrophobicContact CZ-CE2 3.44Å; F99-F204 VanDerWaalsContact CZ-CE2 3.44Å; F99-F204 AromaticContact CZ-CZ 3.49Å; F99-F204 HydrophobicContact CZ-CZ 3.49Å; F99-F204 VanDerWaalsContact CZ-CZ 3.49Å; Q115-F204 HydrophobicContact CB-CD1 4.17Å; Q115-F204 HydrophobicContact CB-CE1 4Å; L117-F204 HydrophobicContact CB-CB 4.46Å; L117-F204 HydrophobicContact CD1-CB 3.86Å; F204-G206 PolarHBondContact O-N 3.2Å; F204-G210 CarbonylContact O-C 3.48Å; F204-G210 WeakPolarHBondContact O-CA 3.22Å; F204-G211 PolarHBondContact O-N 2.94Å; F204-H243 AromaticContact CZ-ND1 3.95Å; F204-L247 WeakPolarHBondContact CE1-O 3.43Å; F204-E248 HydrophobicContact CE1-CG 4.09Å; F204-E248 HydrophobicContact CZ-CG 4.25Å
205	P	94.4	Very high	89.8	Confident	9 Å²	9	32 Å²	32	6%	0.058	19%	0.188	C	C	.	.	S	Bend	trans	-47	124.7	179	-28.9	31	0	0	0	113.7	W119 H243 A244	W119-P205 HydrophobicContact CD2-CB 3.98Å; W119-P205 HydrophobicContact CG-CB 4.13Å; W119-P205 HydrophobicContact CG-CG 4.49Å; W119-P205 HydrophobicContact CZ2-CB 4.24Å; P205-H243 WeakPolarHBondContact CD-O 3.2Å; P205-A244 WeakPolarHBondContact CG-O 3.49Å
206	G	87.8	Confident	90.3	Very high	26 Å²	26	24.6 Å²	24.6	27%	0.268	15%	0.153	S	C	.	.			trans	178.8	-179.6	-177.7	0	0	0	0	0	113.2	W119 F204	W119-G206 WeakPolarHBondContact CH2-O 3.45Å; F204-G206 PolarHBondContact O-N 3.2Å
207	P	81.9	Confident	91.1	Very high	108 Å²	108	24 Å²	24	70%	0.701	14%	0.143	S	C	*	.	S	Bend	trans	-79.2	154.9	176.9	32.9	-35.2	0	0	0	112.4	I209	P207-I209 PolarHBondContact O-N 2.87Å
208	N	84.4	Confident	91.6	Very high	127 Å²	127	24.3 Å²	24.3	68%	0.679	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	-109.6	-180	-36.8	-83	0	0	0	111.4	Q174 G210	Q174-N208 PolarHBondContact NE2-O 3.38Å; N208-G210 PolarHBondContact O-N 2.98Å
209	I	82.9	Confident	92.1	Very high	66 Å²	66	24.1 Å²	24.1	34%	0.338	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.1	-179.2	-157.2	171.3	0	0	0	113.4	D188 Y203 P207 G211 D212	D188-I209 HydrophobicContact CB-CD1 4.02Å; Y203-I209 WeakPolarHBondContact CB-O 3.17Å; Y203-I209 HydrophobicContact CD1-CG2 4.19Å; Y203-I209 HydrophobicContact CD2-CD1 4.03Å; Y203-I209 HydrophobicContact CD2-CG1 3.75Å; Y203-I209 HydrophobicContact CE1-CD1 4.38Å; Y203-I209 HydrophobicContact CE1-CG2 4.38Å; Y203-I209 HydrophobicContact CE2-CD1 3.49Å; Y203-I209 VanDerWaalsContact CE2-CD1 3.49Å; Y203-I209 HydrophobicContact CE2-CG1 3.78Å; Y203-I209 HydrophobicContact CG-CG1 4.25Å; Y203-I209 HydrophobicContact CG-CG2 4.3Å; P207-I209 PolarHBondContact O-N 2.87Å; I209-G211 PolarHBondContact O-N 2.99Å; I209-D212 WeakPolarHBondContact CA-OD2 3.42Å; I209-D212 HydrophobicContact CG1-CB 3.94Å; I209-D212 WeakPolarHBondContact O-CB 3.32Å; I209-D212 PolarHBondContact O-N 3.14Å
210	G	87.3	Confident	92.1	Very high	8 Å²	8	26.1 Å²	26.1	8%	0.082	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	116.8	-178.7	0	0	0	0	0	111.7	W119 F204 N208	W119-G210 VanDerWaalsContact CH2-O 3.26Å; W119-G210 WeakPolarHBondContact CH2-O 3.49Å; F204-G210 CarbonylContact O-C 3.48Å; F204-G210 WeakPolarHBondContact O-CA 3.22Å; N208-G210 PolarHBondContact O-N 2.98Å
211	G	91	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.5	-26.3	-170.3	0	0	0	0	0	113.7	I177 Y203 F204 I209 T213 A244	I177-G211 WeakPolarHBondContact CG2-O 3.06Å; Y203-G211 VanDerWaalsContact O-CA 3.22Å; Y203-G211 WeakPolarHBondContact O-CA 3.43Å; Y203-G211 PolarHBondContact O-N 2.81Å; F204-G211 PolarHBondContact O-N 2.94Å; I209-G211 PolarHBondContact O-N 2.99Å; G211-T213 PolarHBondContact O-OG1 3.35Å; G211-A244 VanDerWaalsContact O-CB 3.27Å; G211-A244 WeakPolarHBondContact O-CB 3.36Å
212	D	94.3	Very high	92.3	Very high	13 Å²	13	26.8 Å²	26.8	7%	0.07	16%	0.16	C	C	.	.			trans	-61.5	140.8	-176.1	-68.6	-9.8	0	0	0	111.1	Q174 M178 A202 Y203 I209	Q174-D212 PolarHBondContact NE2-OD1 3.02Å; Q174-D212 PolarHBondContact NE2-OD2 2.95Å; M178-D212 WeakPolarHBondContact CA-OD1 3.45Å; M178-D212 HydrophobicContact CB-CB 4.41Å; M178-D212 VanDerWaalsContact CB-OD1 3.23Å; M178-D212 WeakPolarHBondContact CB-OD1 3.45Å; M178-D212 WeakPolarHBondContact CG-OD1 3.48Å; M178-D212 PolarHBondContact N-OD1 3.05Å; M178-D212 CarbonylContact O-C 3.52Å; M178-D212 WeakPolarHBondContact O-CA 3.21Å; A202-D212 CarbonylContact C-O 3.51Å; A202-D212 VanDerWaalsContact CA-O 3.28Å; A202-D212 WeakPolarHBondContact CA-O 3.47Å; Y203-D212 HydrophobicContact CD2-CB 4.5Å; Y203-D212 PolarHBondContact N-O 2.91Å; I209-D212 WeakPolarHBondContact CA-OD2 3.42Å; I209-D212 HydrophobicContact CG1-CB 3.94Å; I209-D212 WeakPolarHBondContact O-CB 3.32Å; I209-D212 PolarHBondContact O-N 3.14Å
213	T	96.8	Very high	92.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.8	-171.5	-59.1	0	0	0	0	110.1	M178 I179 F180 H201 A202 G211 F215 E240	M178-T213 PolarHBondContact O-N 3Å; I179-T213 WeakPolarHBondContact CA-O 3.44Å; F180-T213 PolarHBondContact N-O 3.36Å; H201-T213 CarbonylContact O-C 3.58Å; H201-T213 WeakPolarHBondContact O-CA 3.46Å; A202-T213 HydrophobicContact CB-CG2 4.1Å; A202-T213 WeakPolarHBondContact CB-OG1 3.46Å; G211-T213 PolarHBondContact O-OG1 3.35Å; T213-F215 HydrophobicContact CG2-CD2 4.32Å; T213-F215 HydrophobicContact CG2-CE2 3.63Å; T213-F215 HydrophobicContact CG2-CZ 4.08Å; T213-E240 HydrophobicContact CG2-CB 3.48Å; T213-E240 VanDerWaalsContact CG2-CB 3.48Å; T213-E240 HydrophobicContact CG2-CG 4.16Å
214	H	96.4	Very high	92.1	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.8	-175.4	-50.3	167.5	0	0	0	110.1	F180 H186 D188 F192 A200 H201 Y203	F180-H214 AromaticContact CD1-CD2 3.84Å; F180-H214 AromaticContact CE1-CD2 3.22Å; F180-H214 WeakPolarHBondContact CE1-CD2 3.31Å; F180-H214 AromaticContact CE1-CE1 3.88Å; F180-H214 AromaticContact CE1-CG 3.92Å; F180-H214 AromaticContact CE1-NE2 3.23Å; F180-H214 WeakPolarHBondContact CE1-NE2 3.39Å; F180-H214 HydrophobicContact CE2-CB 4.36Å; F180-H214 AromaticContact CE2-CG 3.99Å; F180-H214 HydrophobicContact CZ-CB 4.42Å; F180-H214 AromaticContact CZ-CD2 3.38Å; F180-H214 WeakPolarHBondContact CZ-CD2 3.39Å; F180-H214 AromaticContact CZ-CE1 3.57Å; F180-H214 AromaticContact CZ-CG 3.58Å; F180-H214 AromaticContact CZ-ND1 3.66Å; F180-H214 AromaticContact CZ-NE2 3.41Å; F180-H214 WeakPolarHBondContact CZ-NE2 3.44Å; F180-H214 WeakPolarHBondContact O-CA 3.31Å; H186-H214 AromaticContact CD2-CE1 3.98Å; H186-H214 AromaticContact CD2-CG 3.96Å; H186-H214 AromaticContact CD2-ND1 3.22Å; H186-H214 PolarHBondContact CD2-ND1 3.06Å; H186-H214 AromaticContact NE2-CE1 4Å; H186-H214 AromaticContact NE2-CG 3.75Å; H186-H214 AromaticContact NE2-ND1 2.98Å; H186-H214 PolarHBondContact NE2-ND1 2.75Å; D188-H214 IonicContact OD2-CE1 3.92Å; D188-H214 PolarHBondContact OD2-CE1 2.78Å; D188-H214 IonicContact OD2-ND1 3.75Å; D188-H214 PolarHBondContact OD2-ND1 3.14Å; D188-H214 VanDerWaalsContact OD2-ND1 3.1Å; F192-H214 HydrophobicContact CE2-CB 4.28Å; F192-H214 HydrophobicContact CZ-CB 3.72Å; A200-H214 CarbonylContact C-O 3.46Å; A200-H214 WeakPolarHBondContact CA-O 3.41Å; A200-H214 VanDerWaalsContact CB-O 3.24Å; A200-H214 WeakPolarHBondContact CB-O 3.1Å; H201-H214 AromaticContact CD2-ND1 3.92Å; H201-H214 AromaticContact CE1-ND1 3.76Å; H201-H214 PolarHBondContact N-O 3.47Å; H201-H214 AromaticContact NE2-CE1 3.8Å; H201-H214 AromaticContact NE2-CG 3.62Å; H201-H214 AromaticContact NE2-ND1 3.05Å; H201-H214 PolarHBondContact NE2-ND1 3.18Å; H201-H214 PolarHBondContact O-N 3.18Å; Y203-H214 AromaticContact CE2-CE1 3.94Å
215	F	97.8	Very high	91.6	Very high	1 Å²	1	28 Å²	28	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.3	177.5	-66.6	-100	0	0	0	110.3	I179 F180 F181 A182 F192 A200 T213 S217 W221 V236 A237	I179-F215 HydrophobicContact CG2-CD2 4.1Å; I179-F215 HydrophobicContact CG2-CE2 3.65Å; F180-F215 PolarHBondContact O-N 3.03Å; F181-F215 WeakPolarHBondContact CA-O 3.32Å; F181-F215 HydrophobicContact CD1-CB 3.4Å; F181-F215 VanDerWaalsContact CD1-CB 3.4Å; F181-F215 HydrophobicContact CD1-CG 4.14Å; F181-F215 HydrophobicContact CE1-CB 3.5Å; F181-F215 HydrophobicContact CE1-CD1 4.11Å; F181-F215 HydrophobicContact CE1-CD2 4.33Å; F181-F215 AromaticContact CE1-CG 3.75Å; F181-F215 HydrophobicContact CE1-CG 3.75Å; F181-F215 HydrophobicContact CE2-CD2 4.38Å; F181-F215 HydrophobicContact CG-CB 4Å; F181-F215 HydrophobicContact CZ-CB 4.17Å; F181-F215 HydrophobicContact CZ-CD1 4.38Å; F181-F215 HydrophobicContact CZ-CD2 4.14Å; F181-F215 AromaticContact CZ-CG 3.99Å; F181-F215 HydrophobicContact CZ-CG 3.99Å; A182-F215 PolarHBondContact N-O 2.96Å; F192-F215 WeakPolarHBondContact CE2-O 3.46Å; A200-F215 HydrophobicContact CB-CD1 3.93Å; A200-F215 HydrophobicContact CB-CE1 4.39Å; A200-F215 HydrophobicContact CB-CG 4.28Å; T213-F215 HydrophobicContact CG2-CD2 4.32Å; T213-F215 HydrophobicContact CG2-CE2 3.63Å; T213-F215 HydrophobicContact CG2-CZ 4.08Å; F215-S217 PolarHBondContact O-N 2.85Å; F215-W221 HydrophobicContact CB-CZ2 3.98Å; F215-W221 AromaticContact CD1-CH2 3.71Å; F215-W221 HydrophobicContact CD1-CH2 3.71Å; F215-W221 AromaticContact CD1-CZ2 3.93Å; F215-W221 HydrophobicContact CD1-CZ2 3.93Å; F215-W221 HydrophobicContact CD1-CZ3 4.28Å; F215-W221 HydrophobicContact CE1-CH2 4.49Å; F215-W221 HydrophobicContact CG-CZ2 4.47Å; F215-V236 HydrophobicContact CD1-CG1 4.14Å; F215-V236 HydrophobicContact CE1-CB 4.18Å; F215-V236 HydrophobicContact CE1-CG1 3.81Å; F215-A237 HydrophobicContact CE1-CB 4.26Å; F215-A237 HydrophobicContact CZ-CB 3.79Å
216	D	96.9	Very high	90.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	111.5	174.4	-169.9	-5.9	0	0	0	110.4	A182 F192 G194 L199 A218 E219 W221	A182-D216 CarbonylContact O-C 3.59Å; A182-D216 WeakPolarHBondContact O-CA 3.45Å; F192-D216 HydrophobicContact CB-CB 3.93Å; F192-D216 VanDerWaalsContact CB-CG 3.47Å; F192-D216 VanDerWaalsContact CB-OD2 3.25Å; F192-D216 WeakPolarHBondContact CB-OD2 3.43Å; F192-D216 HydrophobicContact CD1-CB 3.83Å; F192-D216 HydrophobicContact CD2-CB 3.75Å; F192-D216 HydrophobicContact CE1-CB 4.24Å; F192-D216 HydrophobicContact CE2-CB 4.16Å; F192-D216 HydrophobicContact CG-CB 3.58Å; F192-D216 HydrophobicContact CZ-CB 4.4Å; G194-D216 WeakPolarHBondContact CA-OD2 3.4Å; G194-D216 PolarHBondContact N-OD2 3.4Å; G194-D216 VanDerWaalsContact O-OD2 3.08Å; L199-D216 PolarHBondContact O-N 2.99Å; D216-A218 PolarHBondContact O-N 3.03Å; D216-A218 VanDerWaalsContact O-N 3.12Å; D216-A218 VanDerWaalsContact OD1-CB 3.26Å; D216-A218 WeakPolarHBondContact OD1-CB 3.5Å; D216-A218 PolarHBondContact OD1-N 2.87Å; D216-E219 HydrophobicContact CB-CG 4.13Å; D216-E219 PolarHBondContact O-N 3.35Å; D216-W221 PolarHBondContact O-NE1 2.93Å
217	S	95.8	Very high	90.6	Very high	23 Å²	23	38.9 Å²	38.9	16%	0.161	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.3	173.6	-87.3	0	0	0	0	113.6	K134 F181 A182 F215	K134-S217 PolarHBondContact NZ-O 3.19Å; F181-S217 WeakPolarHBondContact CB-OG 3.12Å; A182-S217 PolarHBondContact N-OG 2.91Å; A182-S217 PolarHBondContact O-N 2.9Å; F215-S217 PolarHBondContact O-N 2.85Å
218	A	94.6	Very high	90.7	Very high	23 Å²	23	35 Å²	35	19%	0.19	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.8	-179	0	0	0	0	0	113.5	K134 D216	K134-A218 PolarHBondContact NZ-O 3.45Å; D216-A218 PolarHBondContact O-N 3.03Å; D216-A218 VanDerWaalsContact O-N 3.12Å; D216-A218 VanDerWaalsContact OD1-CB 3.26Å; D216-A218 WeakPolarHBondContact OD1-CB 3.5Å; D216-A218 PolarHBondContact OD1-N 2.87Å
219	E	95.3	Very high	90.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	20%	0.201	C	C	.	.	S	Bend	trans	-62.5	148.5	-176.7	-71.5	-72.3	174	0	0	113.6	K134 G196 L199 D216 W221 N231	K134-E219 VanDerWaalsContact CD-O 3.28Å; K134-E219 WeakPolarHBondContact CD-O 3.47Å; K134-E219 WeakPolarHBondContact CE-O 3.34Å; K134-E219 PolarHBondContact NZ-O 3.37Å; G196-E219 WeakPolarHBondContact CA-OE1 3.34Å; G196-E219 VanDerWaalsContact N-CD 3.31Å; G196-E219 PolarHBondContact N-OE1 3.23Å; G196-E219 PolarHBondContact N-OE2 3.28Å; L199-E219 HydrophobicContact CD2-CG 3.74Å; L199-E219 VanDerWaalsContact CD2-OE1 3.27Å; L199-E219 WeakPolarHBondContact CD2-OE1 3.34Å; L199-E219 WeakPolarHBondContact CD2-OE2 3.44Å; D216-E219 HydrophobicContact CB-CG 4.13Å; D216-E219 PolarHBondContact O-N 3.35Å; E219-W221 HydrophobicContact CB-CD2 4.41Å; E219-W221 HydrophobicContact CB-CZ2 3.95Å; E219-W221 HydrophobicContact CG-CZ2 4.37Å; E219-W221 VanDerWaalsContact O-CD1 3.25Å; E219-W221 PolarHBondContact O-N 3.47Å; E219-N231 PolarHBondContact OE2-ND2 3.22Å
220	P	94.3	Very high	91.1	Very high	46 Å²	46	32.7 Å²	32.7	30%	0.299	19%	0.186	S	C	.	.			trans	-75.5	75.1	177	32.1	-32.7	0	0	0	109.9	T222 G230 N231	P220-T222 PolarHBondContact O-N 3.31Å; P220-G230 CarbonylContact O-C 3.53Å; P220-G230 WeakPolarHBondContact O-CA 3.1Å; P220-N231 PolarHBondContact O-N 3Å
221	W	96	Very high	91.4	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	128.8	178.9	-68.3	109.9	0	0	0	112.3	T132 K134 V135 F181 L199 F215 D216 E219 N231 I233 V236	T132-W221 HydrophobicContact CG2-CB 4Å; T132-W221 HydrophobicContact CG2-CG 4.06Å; K134-W221 HydrophobicContact CB-CB 4.41Å; K134-W221 HydrophobicContact CD-CB 4.5Å; V135-W221 WeakPolarHBondContact CG1-O 3.28Å; F181-W221 HydrophobicContact CE1-CD2 4.4Å; L199-W221 HydrophobicContact CB-CH2 4.31Å; L199-W221 WeakPolarHBondContact O-CZ2 3.33Å; F215-W221 HydrophobicContact CB-CZ2 3.98Å; F215-W221 AromaticContact CD1-CH2 3.71Å; F215-W221 HydrophobicContact CD1-CH2 3.71Å; F215-W221 AromaticContact CD1-CZ2 3.93Å; F215-W221 HydrophobicContact CD1-CZ2 3.93Å; F215-W221 HydrophobicContact CD1-CZ3 4.28Å; F215-W221 HydrophobicContact CE1-CH2 4.49Å; F215-W221 HydrophobicContact CG-CZ2 4.47Å; D216-W221 PolarHBondContact O-NE1 2.93Å; E219-W221 HydrophobicContact CB-CD2 4.41Å; E219-W221 HydrophobicContact CB-CZ2 3.95Å; E219-W221 HydrophobicContact CG-CZ2 4.37Å; E219-W221 VanDerWaalsContact O-CD1 3.25Å; E219-W221 PolarHBondContact O-N 3.47Å; W221-N231 WeakPolarHBondContact CA-O 3.28Å; W221-N231 HydrophobicContact CE3-CB 4.19Å; W221-N231 VanDerWaalsContact CE3-O 3.32Å; W221-N231 HydrophobicContact CZ3-CB 4.02Å; W221-I233 HydrophobicContact CB-CD1 4.08Å; W221-I233 HydrophobicContact CB-CG1 3.96Å; W221-I233 HydrophobicContact CD2-CG1 3.91Å; W221-I233 HydrophobicContact CE3-CB 4.35Å; W221-I233 HydrophobicContact CE3-CG1 3.51Å; W221-I233 HydrophobicContact CG-CD1 4.44Å; W221-I233 HydrophobicContact CG-CG1 4.12Å; W221-I233 HydrophobicContact CZ3-CG1 4.39Å; W221-V236 HydrophobicContact CH2-CB 4.24Å; W221-V236 HydrophobicContact CH2-CG1 4.06Å; W221-V236 HydrophobicContact CH2-CG2 4.2Å; W221-V236 HydrophobicContact CZ3-CB 4Å; W221-V236 HydrophobicContact CZ3-CG1 4.35Å; W221-V236 HydrophobicContact CZ3-CG2 3.84Å
222	T	95.3	Very high	91.6	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	171.6	172.8	60.5	0	0	0	0	110.1	P220 D227 N231 D232 I233	P220-T222 PolarHBondContact O-N 3.31Å; T222-D227 HydrophobicContact CG2-CB 3.73Å; T222-D227 PolarHBondContact OG1-O 3.24Å; T222-N231 PolarHBondContact N-O 3.03Å; T222-N231 PolarHBondContact OG1-O 2.65Å; T222-D232 WeakPolarHBondContact O-CA 3.35Å; T222-I233 PolarHBondContact O-N 2.63Å
223	V	92.7	Very high	91.8	Very high	44 Å²	44	32.1 Å²	32.1	27%	0.267	18%	0.181	S	C	.	.			trans	-137.5	141.3	172.3	-75.5	0	0	0	0	110.2	V135 A139 A143 D232 I233	V135-V223 HydrophobicContact CB-CG1 4.27Å; V135-V223 HydrophobicContact CB-CG2 4.06Å; V135-V223 HydrophobicContact CG1-CG1 4.19Å; V135-V223 HydrophobicContact CG1-CG2 4.05Å; V135-V223 HydrophobicContact CG2-CG1 4Å; A139-V223 HydrophobicContact CB-CG1 4.38Å; A139-V223 HydrophobicContact CB-CG2 4.09Å; A143-V223 HydrophobicContact CB-CG1 4.21Å; V223-D232 WeakPolarHBondContact CA-OD2 3.2Å; V223-I233 HydrophobicContact CG1-CB 4.33Å; V223-I233 HydrophobicContact CG1-CD1 4.14Å; V223-I233 HydrophobicContact CG1-CG1 4.44Å
224	G	85.7	Confident	91.8	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	-158.6	177.8	0	0	0	0	0	112.9	D232 T266	G224-D232 PolarHBondContact N-OD2 2.93Å; G224-T266 WeakPolarHBondContact CA-OG1 3.26Å
225	N	82.9	Confident	91.9	Very high	41 Å²	41	32.3 Å²	32.3	22%	0.219	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	15.9	-176.3	-63.1	-26.1	0	0	0	113.1	W263 D265 T266 E267	N225-W263 WeakPolarHBondContact OD1-CZ2 3.17Å; N225-D265 PolarHBondContact ND2-OD1 2.95Å; N225-T266 PolarHBondContact OD1-N 2.85Å; N225-T266 PolarHBondContact OD1-OG1 2.8Å; N225-E267 PolarHBondContact ND2-OE1 3.42Å
226	E	76.4	Confident	91.8	Very high	193 Å²	193	32.5 Å²	32.5	90%	0.902	18%	0.183	S	C	*	.	S	Bend	trans	-81.7	-49.3	-172.7	-63.2	-168.5	173	0	0	113.5
227	D	84.3	Confident	91.9	Very high	70 Å²	70	32.6 Å²	32.6	37%	0.374	18%	0.184	S	C	.	.			trans	-117.3	111.4	174.5	-177.6	13.2	0	0	0	111.3	T222 N229	T222-D227 HydrophobicContact CG2-CB 3.73Å; T222-D227 PolarHBondContact OG1-O 3.24Å; D227-N229 WeakPolarHBondContact OD1-CB 3.32Å; D227-N229 PolarHBondContact OD1-N 2.7Å; D227-N229 PolarHBondContact OD1-ND2 3.09Å
228	L	84.7	Confident	92	Very high	27 Å²	27	31.5 Å²	31.5	14%	0.141	18%	0.176	C	C	.	.	S	Bend	trans	-91.3	-3.1	-176.5	-55.1	175.1	0	0	0	113.5	W263 R362 L395	L228-W263 HydrophobicContact CD2-CD2 4.5Å; L228-W263 HydrophobicContact CD2-CZ2 4.29Å; L228-W263 VanDerWaalsContact CD2-NE1 3.35Å; L228-R362 PolarHBondContact O-NH1 3.44Å; L228-L395 HydrophobicContact CD1-CB 4.36Å; L228-L395 HydrophobicContact CD1-CD2 3.49Å; L228-L395 VanDerWaalsContact CD1-CD2 3.49Å
229	N	85	Confident	92.2	Very high	142 Å²	142	31 Å²	31	76%	0.759	17%	0.17	S	C	*	.	S	Bend	trans	-81.4	-34.5	177.9	-56.5	-68.3	0	0	0	111.3	D227	D227-N229 WeakPolarHBondContact OD1-CB 3.32Å; D227-N229 PolarHBondContact OD1-N 2.7Å; D227-N229 PolarHBondContact OD1-ND2 3.09Å
230	G	89.9	Confident	92.3	Very high	1 Å²	1	31 Å²	31	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	-82.5	-174.3	176.8	0	0	0	0	0	115.4	P220	P220-G230 CarbonylContact O-C 3.53Å; P220-G230 WeakPolarHBondContact O-CA 3.1Å
231	N	93.7	Very high	92.5	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.043	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.8	176.8	-54	-62.2	0	0	0	109.5	L199 E219 P220 W221 T222 I233	L199-N231 HydrophobicContact CD1-CB 4.22Å; L199-N231 HydrophobicContact CD2-CB 4.33Å; L199-N231 VanDerWaalsContact CD2-ND2 3.3Å; L199-N231 WeakPolarHBondContact CD2-ND2 3.22Å; E219-N231 PolarHBondContact OE2-ND2 3.22Å; P220-N231 PolarHBondContact O-N 3Å; W221-N231 WeakPolarHBondContact CA-O 3.28Å; W221-N231 HydrophobicContact CE3-CB 4.19Å; W221-N231 VanDerWaalsContact CE3-O 3.32Å; W221-N231 HydrophobicContact CZ3-CB 4.02Å; T222-N231 PolarHBondContact N-O 3.03Å; T222-N231 PolarHBondContact OG1-O 2.65Å; N231-I233 PolarHBondContact O-N 3.27Å
232	D	95.9	Very high	92.6	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.5	-178.8	176.3	-88.5	0	0	0	111	T222 V223 G224 F234 L235 V236 Y261	T222-D232 WeakPolarHBondContact O-CA 3.35Å; V223-D232 WeakPolarHBondContact CA-OD2 3.2Å; G224-D232 PolarHBondContact N-OD2 2.93Å; D232-F234 VanDerWaalsContact C-N 3.28Å; D232-F234 PolarHBondContact O-N 3.12Å; D232-F234 VanDerWaalsContact OD1-CA 3.31Å; D232-F234 WeakPolarHBondContact OD1-CA 3.45Å; D232-F234 VanDerWaalsContact OD1-CB 3.26Å; D232-F234 WeakPolarHBondContact OD1-CB 3.42Å; D232-F234 PolarHBondContact OD1-N 2.66Å; D232-L235 HydrophobicContact CB-CB 4.31Å; D232-L235 HydrophobicContact CB-CD1 4.1Å; D232-L235 HydrophobicContact CB-CG 4.12Å; D232-L235 PolarHBondContact O-N 3.11Å; D232-L235 WeakPolarHBondContact OD1-CG 3.42Å; D232-L235 PolarHBondContact OD1-N 2.83Å; D232-V236 PolarHBondContact O-N 2.88Å; D232-V236 VanDerWaalsContact O-N 3.16Å; D232-Y261 PolarHBondContact N-OH 3.48Å
233	I	97.1	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-39	-178.6	-62.9	173.7	0	0	0	111.3	T132 V135 T140 A143 I144 F181 W221 T222 V223 N231 A237	T132-I233 HydrophobicContact CG2-CD1 3.49Å; T132-I233 VanDerWaalsContact CG2-CD1 3.49Å; V135-I233 HydrophobicContact CG1-CD1 4.47Å; V135-I233 HydrophobicContact CG2-CD1 3.49Å; V135-I233 VanDerWaalsContact CG2-CD1 3.49Å; T140-I233 HydrophobicContact CG2-CD1 4.31Å; A143-I233 HydrophobicContact CB-CB 4.09Å; A143-I233 HydrophobicContact CB-CG2 3.9Å; I144-I233 HydrophobicContact CG1-CG2 4.28Å; F181-I233 HydrophobicContact CZ-CD1 4.43Å; F181-I233 HydrophobicContact CZ-CG2 4.23Å; W221-I233 HydrophobicContact CB-CD1 4.08Å; W221-I233 HydrophobicContact CB-CG1 3.96Å; W221-I233 HydrophobicContact CD2-CG1 3.91Å; W221-I233 HydrophobicContact CE3-CB 4.35Å; W221-I233 HydrophobicContact CE3-CG1 3.51Å; W221-I233 HydrophobicContact CG-CD1 4.44Å; W221-I233 HydrophobicContact CG-CG1 4.12Å; W221-I233 HydrophobicContact CZ3-CG1 4.39Å; T222-I233 PolarHBondContact O-N 2.63Å; V223-I233 HydrophobicContact CG1-CB 4.33Å; V223-I233 HydrophobicContact CG1-CD1 4.14Å; V223-I233 HydrophobicContact CG1-CG1 4.44Å; N231-I233 PolarHBondContact O-N 3.27Å; I233-A237 WeakPolarHBondContact O-CB 3.4Å; I233-A237 PolarHBondContact O-N 2.66Å
234	F	97.6	Very high	92.8	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.022	14%	0.138	C	C	.	.	H	α-helix	trans	-68.1	-43.1	-177.3	157.7	-100	0	0	0	111.4	A143 K146 A147 V150 D232 A237 V238 T266 F269	A143-F234 HydrophobicContact CB-CB 3.94Å; K146-F234 HydrophobicContact CB-CD2 3.91Å; K146-F234 HydrophobicContact CB-CE2 4.12Å; K146-F234 HydrophobicContact CD-CD2 3.76Å; K146-F234 HydrophobicContact CD-CE2 3.83Å; K146-F234 HydrophobicContact CD-CG 4.23Å; K146-F234 HydrophobicContact CD-CZ 4.34Å; K146-F234 HydrophobicContact CG-CD2 3.77Å; K146-F234 HydrophobicContact CG-CE2 3.58Å; K146-F234 HydrophobicContact CG-CZ 4.37Å; A147-F234 HydrophobicContact CB-CD2 4.15Å; A147-F234 HydrophobicContact CB-CE2 4.46Å; V150-F234 HydrophobicContact CG2-CE2 3.75Å; V150-F234 HydrophobicContact CG2-CZ 3.83Å; D232-F234 VanDerWaalsContact C-N 3.28Å; D232-F234 PolarHBondContact O-N 3.12Å; D232-F234 VanDerWaalsContact OD1-CA 3.31Å; D232-F234 WeakPolarHBondContact OD1-CA 3.45Å; D232-F234 VanDerWaalsContact OD1-CB 3.26Å; D232-F234 WeakPolarHBondContact OD1-CB 3.42Å; D232-F234 PolarHBondContact OD1-N 2.66Å; F234-A237 PolarHBondContact O-N 2.8Å; F234-V238 HydrophobicContact CD2-CG2 4.02Å; F234-V238 HydrophobicContact CE2-CG2 3.59Å; F234-V238 HydrophobicContact CZ-CG2 3.92Å; F234-V238 VanDerWaalsContact O-CG2 3.3Å; F234-V238 WeakPolarHBondContact O-CG2 3.49Å; F234-V238 PolarHBondContact O-N 2.92Å; F234-T266 HydrophobicContact CD1-CG2 3.93Å; F234-T266 HydrophobicContact CE1-CG2 4.39Å; F234-F269 HydrophobicContact CE1-CB 3.8Å; F234-F269 HydrophobicContact CE1-CD1 4.27Å; F234-F269 AromaticContact CE1-CD2 3.86Å; F234-F269 HydrophobicContact CE1-CD2 3.86Å; F234-F269 AromaticContact CE1-CG 3.7Å; F234-F269 HydrophobicContact CE1-CG 3.7Å; F234-F269 HydrophobicContact CZ-CB 3.87Å; F234-F269 AromaticContact CZ-CD1 3.83Å; F234-F269 HydrophobicContact CZ-CD1 3.83Å; F234-F269 HydrophobicContact CZ-CD2 4.26Å; F234-F269 HydrophobicContact CZ-CE1 4.48Å; F234-F269 AromaticContact CZ-CG 3.71Å; F234-F269 HydrophobicContact CZ-CG 3.71Å
235	L	97.1	Very high	93.3	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-45.3	177	-66.3	-178.9	0	0	0	112	D232 V238 H239 I256 Y261 M264 T266 F269	D232-L235 HydrophobicContact CB-CB 4.31Å; D232-L235 HydrophobicContact CB-CD1 4.1Å; D232-L235 HydrophobicContact CB-CG 4.12Å; D232-L235 PolarHBondContact O-N 3.11Å; D232-L235 WeakPolarHBondContact OD1-CG 3.42Å; D232-L235 PolarHBondContact OD1-N 2.83Å; L235-V238 PolarHBondContact O-N 3.44Å; L235-H239 PolarHBondContact O-N 3.09Å; L235-I256 HydrophobicContact CD2-CD1 4.45Å; L235-Y261 HydrophobicContact CB-CE2 4.25Å; L235-Y261 HydrophobicContact CD1-CE2 4.3Å; L235-M264 HydrophobicContact CD1-CB 4.45Å; L235-M264 HydrophobicContact CD2-CB 4Å; L235-T266 HydrophobicContact CD1-CG2 4.25Å; L235-T266 HydrophobicContact CD2-CG2 4.14Å; L235-T266 HydrophobicContact CG-CG2 3.99Å; L235-F269 HydrophobicContact CD2-CD2 3.8Å; L235-F269 HydrophobicContact CD2-CE2 3.66Å
236	V	97.6	Very high	93.8	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.036	12%	0.115	C	C	.	.	H	α-helix	trans	-66.7	-43.3	176.4	-179.5	0	0	0	0	110.4	L199 A200 F215 W221 D232 V238 H239 E240 Y261	L199-V236 HydrophobicContact CB-CG1 4.43Å; L199-V236 HydrophobicContact CD1-CG2 3.78Å; A200-V236 HydrophobicContact CB-CG1 3.6Å; F215-V236 HydrophobicContact CD1-CG1 4.14Å; F215-V236 HydrophobicContact CE1-CB 4.18Å; F215-V236 HydrophobicContact CE1-CG1 3.81Å; W221-V236 HydrophobicContact CH2-CB 4.24Å; W221-V236 HydrophobicContact CH2-CG1 4.06Å; W221-V236 HydrophobicContact CH2-CG2 4.2Å; W221-V236 HydrophobicContact CZ3-CB 4Å; W221-V236 HydrophobicContact CZ3-CG1 4.35Å; W221-V236 HydrophobicContact CZ3-CG2 3.84Å; D232-V236 PolarHBondContact O-N 2.88Å; D232-V236 VanDerWaalsContact O-N 3.16Å; V236-V238 VanDerWaalsContact C-N 3.33Å; V236-V238 PolarHBondContact O-N 2.75Å; V236-H239 WeakPolarHBondContact O-CA 3.11Å; V236-H239 WeakPolarHBondContact O-CB 3.25Å; V236-H239 PolarHBondContact O-N 2.94Å; V236-H239 VanDerWaalsContact O-N 3.07Å; V236-E240 HydrophobicContact CG1-CG 3.99Å; V236-E240 WeakPolarHBondContact O-CG 3.44Å; V236-E240 PolarHBondContact O-N 3.19Å; V236-Y261 HydrophobicContact CG2-CD2 3.95Å; V236-Y261 HydrophobicContact CG2-CE2 4.11Å
237	A	98.3	Very high	94.6	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.017	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-37.9	175.9	0	0	0	0	0	112.9	I144 A147 F215 I233 F234 H239 L241	I144-A237 HydrophobicContact CG1-CB 4.45Å; A147-A237 HydrophobicContact CB-CB 3.65Å; F215-A237 HydrophobicContact CE1-CB 4.26Å; F215-A237 HydrophobicContact CZ-CB 3.79Å; I233-A237 WeakPolarHBondContact O-CB 3.4Å; I233-A237 PolarHBondContact O-N 2.66Å; F234-A237 PolarHBondContact O-N 2.8Å; A237-H239 VanDerWaalsContact C-N 3.34Å; A237-L241 WeakPolarHBondContact O-CB 3.49Å; A237-L241 WeakPolarHBondContact O-CG 3.45Å; A237-L241 PolarHBondContact O-N 3.29Å
238	V	98.3	Very high	94.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.2	-43.8	173.4	173.5	0	0	0	0	110.4	A147 V150 W151 F234 L235 V236 G242 I256 F269 L271	A147-V238 HydrophobicContact CB-CB 4.47Å; A147-V238 HydrophobicContact CB-CG2 3.62Å; V150-V238 HydrophobicContact CB-CG2 4.28Å; V150-V238 HydrophobicContact CG1-CG1 4.15Å; V150-V238 HydrophobicContact CG1-CG2 4.43Å; V150-V238 HydrophobicContact CG2-CG2 4.14Å; W151-V238 HydrophobicContact CZ2-CG1 4.05Å; W151-V238 VanDerWaalsContact CZ2-O 3.24Å; W151-V238 WeakPolarHBondContact CZ2-O 3.33Å; W151-V238 PolarHBondContact NE1-O 2.84Å; F234-V238 HydrophobicContact CD2-CG2 4.02Å; F234-V238 HydrophobicContact CE2-CG2 3.59Å; F234-V238 HydrophobicContact CZ-CG2 3.92Å; F234-V238 VanDerWaalsContact O-CG2 3.3Å; F234-V238 WeakPolarHBondContact O-CG2 3.49Å; F234-V238 PolarHBondContact O-N 2.92Å; L235-V238 PolarHBondContact O-N 3.44Å; V236-V238 VanDerWaalsContact C-N 3.33Å; V236-V238 PolarHBondContact O-N 2.75Å; V238-G242 PolarHBondContact O-N 2.8Å; V238-I256 HydrophobicContact CB-CG1 4.24Å; V238-I256 HydrophobicContact CG1-CB 4.46Å; V238-I256 HydrophobicContact CG1-CG1 3.83Å; V238-I256 HydrophobicContact CG1-CG2 3.91Å; V238-F269 HydrophobicContact CG1-CE1 4.31Å; V238-F269 HydrophobicContact CG1-CZ 4.18Å; V238-L271 HydrophobicContact CG1-CD1 4.48Å
239	H	98	Very high	95.3	Very high	12 Å²	12	11.2 Å²	11.2	6%	0.056	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-57.5	176.7	-177.1	107.9	0	0	0	112	C93 L235 V236 A237 L241 G242 H243 H249 I256 M257 A258	C93-H239 VanDerWaalsContact CB-NE2 3.25Å; C93-H239 WeakPolarHBondContact CB-NE2 3.35Å; L235-H239 PolarHBondContact O-N 3.09Å; V236-H239 WeakPolarHBondContact O-CA 3.11Å; V236-H239 WeakPolarHBondContact O-CB 3.25Å; V236-H239 PolarHBondContact O-N 2.94Å; V236-H239 VanDerWaalsContact O-N 3.07Å; A237-H239 VanDerWaalsContact C-N 3.34Å; H239-L241 VanDerWaalsContact C-N 3.33Å; H239-L241 PolarHBondContact O-N 2.62Å; H239-G242 WeakPolarHBondContact O-CA 3.2Å; H239-G242 PolarHBondContact O-N 3.16Å; H239-H243 AromaticContact CD2-CD2 3.89Å; H239-H243 AromaticContact CD2-NE2 3.88Å; H239-H243 AromaticContact NE2-CD2 3.81Å; H239-H243 AromaticContact NE2-NE2 3.3Å; H239-H243 PolarHBondContact NE2-NE2 2.9Å; H239-H243 PolarHBondContact O-N 3.04Å; H239-H249 AromaticContact CE1-CD2 3.56Å; H239-H249 AromaticContact CE1-NE2 3.6Å; H239-H249 AromaticContact NE2-CD2 3.47Å; H239-H249 PolarHBondContact NE2-CD2 3.29Å; H239-H249 AromaticContact NE2-NE2 3.2Å; H239-H249 PolarHBondContact NE2-NE2 3.45Å; H239-H249 VanDerWaalsContact NE2-NE2 3.2Å; H239-I256 HydrophobicContact CB-CG1 4.42Å; H239-I256 PolarHBondContact ND1-O 2.75Å; H239-M257 WeakPolarHBondContact O-CE 3.45Å; H239-A258 PolarHBondContact CE1-O 2.75Å; H239-A258 PolarHBondContact ND1-O 2.94Å
240	E	97.9	Very high	95.5	Very high	3 Å²	3	4.8 Å²	4.8	1%	0.014	3%	0.025	C	C	.	.	H	α-helix	trans	-64.4	-37.3	-175.7	-58.2	-49.5	143.9	0	0	112.2	C93 A200 H201 A202 T213 V236 G242 H243 A244	C93-E240 VanDerWaalsContact CB-OE1 3.31Å; C93-E240 WeakPolarHBondContact CB-OE1 3.5Å; C93-E240 VanDerWaalsContact SG-CD 3.55Å; C93-E240 PolarHBondContact SG-OE1 2.73Å; C93-E240 PolarHBondContact SG-OE2 2.79Å; A200-E240 HydrophobicContact CB-CG 3.61Å; H201-E240 WeakPolarHBondContact CA-OE2 3.36Å; A202-E240 HydrophobicContact CB-CB 3.97Å; A202-E240 VanDerWaalsContact CB-O 3.23Å; A202-E240 WeakPolarHBondContact CB-O 3.12Å; A202-E240 PolarHBondContact N-OE2 3.21Å; A202-E240 VanDerWaalsContact N-OE2 3.09Å; T213-E240 HydrophobicContact CG2-CB 3.48Å; T213-E240 VanDerWaalsContact CG2-CB 3.48Å; T213-E240 HydrophobicContact CG2-CG 4.16Å; V236-E240 HydrophobicContact CG1-CG 3.99Å; V236-E240 WeakPolarHBondContact O-CG 3.44Å; V236-E240 PolarHBondContact O-N 3.19Å; E240-G242 PolarHBondContact O-N 3.42Å; E240-H243 WeakPolarHBondContact O-CA 3.2Å; E240-H243 WeakPolarHBondContact O-CB 3.13Å; E240-H243 PolarHBondContact O-N 3.48Å; E240-H243 IonicContact OE2-CD2 2.8Å; E240-A244 PolarHBondContact O-N 2.76Å
241	L	98.3	Very high	95.2	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-64.6	-25	172.8	-68.6	176.8	0	0	0	112.4	A147 F148 I177 I179 A237 H239 A244 L245	A147-L241 HydrophobicContact CB-CD1 3.85Å; F148-L241 HydrophobicContact CD1-CD1 3.88Å; F148-L241 HydrophobicContact CD1-CD2 4.47Å; F148-L241 HydrophobicContact CD2-CD1 3.8Å; F148-L241 HydrophobicContact CE1-CD1 3.88Å; F148-L241 HydrophobicContact CE1-CD2 3.67Å; F148-L241 HydrophobicContact CE1-CG 4.38Å; F148-L241 HydrophobicContact CE2-CD1 3.78Å; F148-L241 HydrophobicContact CE2-CD2 4.05Å; F148-L241 HydrophobicContact CG-CD1 3.85Å; F148-L241 HydrophobicContact CZ-CD1 3.83Å; F148-L241 HydrophobicContact CZ-CD2 3.41Å; F148-L241 VanDerWaalsContact CZ-CD2 3.41Å; F148-L241 HydrophobicContact CZ-CG 4.29Å; I177-L241 HydrophobicContact CG2-CD2 4.19Å; I179-L241 HydrophobicContact CD1-CD2 4.27Å; A237-L241 WeakPolarHBondContact O-CB 3.49Å; A237-L241 WeakPolarHBondContact O-CG 3.45Å; A237-L241 PolarHBondContact O-N 3.29Å; H239-L241 VanDerWaalsContact C-N 3.33Å; H239-L241 PolarHBondContact O-N 2.62Å; L241-A244 HydrophobicContact CD2-CB 4.33Å; L241-A244 PolarHBondContact O-N 2.7Å; L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.32Å
242	G	97.3	Very high	94.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.7	-40.9	169	0	0	0	0	0	112.4	V238 H239 E240 L245 G246 L247	V238-G242 PolarHBondContact O-N 2.8Å; H239-G242 WeakPolarHBondContact O-CA 3.2Å; H239-G242 PolarHBondContact O-N 3.16Å; E240-G242 PolarHBondContact O-N 3.42Å; G242-L245 CarbonylContact O-C 3.56Å; G242-L245 PolarHBondContact O-N 3.44Å; G242-G246 PolarHBondContact O-N 3.46Å; G242-G246 VanDerWaalsContact O-N 3.12Å; G242-L247 WeakPolarHBondContact O-CB 3.48Å; G242-L247 PolarHBondContact O-N 2.81Å
243	H	96.3	Very high	94.1	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.6	-46.8	170.8	-70.8	-44	0	0	0	112.1	A202 F204 P205 H239 E240 L245 G246 L247 H249 M257	A202-H243 HydrophobicContact CB-CB 3.98Å; F204-H243 AromaticContact CZ-ND1 3.95Å; P205-H243 WeakPolarHBondContact CD-O 3.2Å; H239-H243 AromaticContact CD2-CD2 3.89Å; H239-H243 AromaticContact CD2-NE2 3.88Å; H239-H243 AromaticContact NE2-CD2 3.81Å; H239-H243 AromaticContact NE2-NE2 3.3Å; H239-H243 PolarHBondContact NE2-NE2 2.9Å; H239-H243 PolarHBondContact O-N 3.04Å; E240-H243 WeakPolarHBondContact O-CA 3.2Å; E240-H243 WeakPolarHBondContact O-CB 3.13Å; E240-H243 PolarHBondContact O-N 3.48Å; E240-H243 IonicContact OE2-CD2 2.8Å; H243-L245 PolarHBondContact O-N 2.96Å; H243-G246 PolarHBondContact O-N 3.3Å; H243-L247 PolarHBondContact ND1-O 3.33Å; H243-H249 AromaticContact CE1-CD2 3.56Å; H243-H249 AromaticContact CE1-NE2 3.87Å; H243-H249 AromaticContact NE2-CD2 3.39Å; H243-H249 PolarHBondContact NE2-CD2 3.24Å; H243-H249 AromaticContact NE2-NE2 3.28Å; H243-H249 PolarHBondContact NE2-NE2 3.5Å; H243-M257 WeakPolarHBondContact CE1-CE 3.28Å; H243-M257 WeakPolarHBondContact ND1-CE 3.44Å
244	A	96.9	Very high	93.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.2	-17.2	174.4	0	0	0	0	0	113.7	W119 I177 A202 Y203 P205 G211 E240 L241	W119-A244 PolarHBondContact NE1-O 3.47Å; I177-A244 HydrophobicContact CD1-CB 4.03Å; I177-A244 HydrophobicContact CG1-CB 4.42Å; A202-A244 HydrophobicContact CB-CB 4.32Å; Y203-A244 WeakPolarHBondContact O-CA 3.17Å; P205-A244 WeakPolarHBondContact CG-O 3.49Å; G211-A244 VanDerWaalsContact O-CB 3.27Å; G211-A244 WeakPolarHBondContact O-CB 3.36Å; E240-A244 PolarHBondContact O-N 2.76Å; L241-A244 HydrophobicContact CD2-CB 4.33Å; L241-A244 PolarHBondContact O-N 2.7Å
245	L	96.6	Very high	93.1	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-6.7	174	-68.1	174.1	0	0	0	114.5	I124 W151 L157 F159 L241 G242 H243 I279 Y283	I124-L245 HydrophobicContact CD1-CD2 3.79Å; W151-L245 HydrophobicContact CB-CD1 3.68Å; W151-L245 HydrophobicContact CD2-CD1 4.02Å; W151-L245 HydrophobicContact CG-CD1 3.62Å; L157-L245 HydrophobicContact CD1-CD1 4.43Å; L157-L245 HydrophobicContact CD1-CD2 3.7Å; F159-L245 HydrophobicContact CE1-CD2 3.98Å; F159-L245 HydrophobicContact CZ-CD1 4.03Å; F159-L245 HydrophobicContact CZ-CD2 3.94Å; L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.24Å; L241-L245 WeakPolarHBondContact O-CG 3.49Å; L241-L245 PolarHBondContact O-N 3.32Å; G242-L245 CarbonylContact O-C 3.56Å; G242-L245 PolarHBondContact O-N 3.44Å; H243-L245 PolarHBondContact O-N 2.96Å; L245-I279 HydrophobicContact CB-CD1 3.78Å; L245-I279 HydrophobicContact CD1-CD1 4.14Å; L245-Y283 HydrophobicContact CB-CE2 4.32Å; L245-Y283 VanDerWaalsContact O-CE2 3.23Å; L245-Y283 WeakPolarHBondContact O-CE2 3.21Å; L245-Y283 PolarHBondContact O-OH 3.18Å
246	G	92.6	Very high	93.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.7	5.4	172.6	0	0	0	0	0	116.7	Q115 L117 G242 H243	Q115-G246 PolarHBondContact N-O 3.3Å; L117-G246 WeakPolarHBondContact O-CA 3.45Å; G242-G246 PolarHBondContact O-N 3.46Å; G242-G246 VanDerWaalsContact O-N 3.12Å; H243-G246 PolarHBondContact O-N 3.3Å
247	L	93.3	Very high	92.9	Very high	3 Å²	3	8.9 Å²	8.9	2%	0.016	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-79.2	144	174	-57.3	179.7	0	0	0	111	A113 I114 W151 F204 G242 H243 M257 I279 L282	A113-L247 WeakPolarHBondContact O-CA 3.18Å; I114-L247 HydrophobicContact CG1-CD2 4.38Å; W151-L247 HydrophobicContact CH2-CD1 3.4Å; W151-L247 HydrophobicContact CZ2-CD1 4.27Å; W151-L247 HydrophobicContact CZ3-CD1 3.73Å; F204-L247 WeakPolarHBondContact CE1-O 3.43Å; G242-L247 WeakPolarHBondContact O-CB 3.48Å; G242-L247 PolarHBondContact O-N 2.81Å; H243-L247 PolarHBondContact ND1-O 3.33Å; L247-M257 HydrophobicContact CB-CE 4.17Å; L247-M257 HydrophobicContact CB-CG 4.16Å; L247-M257 HydrophobicContact CB-SD 4.37Å; L247-M257 HydrophobicContact CD1-CG 3.83Å; L247-M257 HydrophobicContact CD1-SD 4.24Å; L247-I279 HydrophobicContact CD1-CB 4.31Å; L247-I279 HydrophobicContact CD1-CD1 4.25Å; L247-I279 HydrophobicContact CD2-CB 4.47Å; L247-I279 HydrophobicContact CD2-CD1 4.36Å; L247-I279 HydrophobicContact CG-CD1 4.16Å; L247-L282 HydrophobicContact CD2-CD1 3.99Å
248	E	91.4	Very high	92.6	Very high	36 Å²	36	9 Å²	9	17%	0.168	5%	0.053	C	C	.	.			trans	-95.4	178	170.1	-62.9	167.2	137.9	0	0	109.9	F99 A113 I114 Q115 F204 S250	F99-E248 HydrophobicContact CD2-CG 4.22Å; F99-E248 WeakPolarHBondContact CD2-OE1 3.47Å; F99-E248 HydrophobicContact CE2-CB 4.34Å; F99-E248 HydrophobicContact CE2-CG 3.9Å; A113-E248 VanDerWaalsContact CB-C 3.49Å; A113-E248 HydrophobicContact CB-CB 3.79Å; A113-E248 WeakPolarHBondContact CB-O 3.34Å; A113-E248 PolarHBondContact O-N 3.41Å; I114-E248 VanDerWaalsContact C-CD 3.45Å; I114-E248 PolarHBondContact N-OE2 2.92Å; Q115-E248 VanDerWaalsContact CA-CD 3.46Å; Q115-E248 VanDerWaalsContact CA-OE1 3.28Å; Q115-E248 WeakPolarHBondContact CA-OE1 3.43Å; Q115-E248 HydrophobicContact CB-CG 3.72Å; Q115-E248 WeakPolarHBondContact CB-OE1 3.48Å; Q115-E248 HydrophobicContact CG-CG 4.42Å; Q115-E248 WeakPolarHBondContact CG-OE1 3.32Å; Q115-E248 VanDerWaalsContact N-CD 3.27Å; Q115-E248 PolarHBondContact N-OE2 3.39Å; F204-E248 HydrophobicContact CE1-CG 4.09Å; F204-E248 HydrophobicContact CZ-CG 4.25Å; E248-S250 PolarHBondContact O-N 2.91Å
249	H	92	Very high	92.3	Very high	10 Å²	10	9.3 Å²	9.3	5%	0.046	6%	0.055	C	C	.	.			trans	-62.5	127.8	171.2	-76.2	152.9	0	0	0	112	F71 R92 V95 D97 A113 H239 H243 M257 P259	F71-H249 HydrophobicContact CE1-CB 4.37Å; F71-H249 HydrophobicContact CZ-CB 3.97Å; R92-H249 PolarHBondContact NH2-CE1 2.79Å; V95-H249 PolarHBondContact O-CE1 3.01Å; V95-H249 PolarHBondContact O-ND1 3.15Å; D97-H249 IonicContact OD1-CE1 3.48Å; D97-H249 IonicContact OD1-CG 2.71Å; D97-H249 IonicContact OD1-ND1 3.76Å; D97-H249 PolarHBondContact OD1-ND1 2.82Å; A113-H249 VanDerWaalsContact CB-C 3.49Å; A113-H249 WeakPolarHBondContact CB-O 3.48Å; H239-H249 AromaticContact CE1-CD2 3.56Å; H239-H249 AromaticContact CE1-NE2 3.6Å; H239-H249 AromaticContact NE2-CD2 3.47Å; H239-H249 PolarHBondContact NE2-CD2 3.29Å; H239-H249 AromaticContact NE2-NE2 3.2Å; H239-H249 PolarHBondContact NE2-NE2 3.45Å; H239-H249 VanDerWaalsContact NE2-NE2 3.2Å; H243-H249 AromaticContact CE1-CD2 3.56Å; H243-H249 AromaticContact CE1-NE2 3.87Å; H243-H249 AromaticContact NE2-CD2 3.39Å; H243-H249 PolarHBondContact NE2-CD2 3.24Å; H243-H249 AromaticContact NE2-NE2 3.28Å; H243-H249 PolarHBondContact NE2-NE2 3.5Å; H249-M257 CarbonylContact C-O 3.04Å; H249-M257 VanDerWaalsContact CA-O 3.28Å; H249-M257 WeakPolarHBondContact CA-O 3.42Å; H249-P259 HydrophobicContact CB-CB 4.48Å
250	S	89.7	Confident	91.9	Very high	8 Å²	8	9.6 Å²	9.6	6%	0.056	6%	0.056	C	C	.	.			trans	-78.4	151.5	167.9	-169.4	0	0	0	0	110.7	F71 E248 D252 M257 P259 D274	F71-S250 WeakPolarHBondContact CE1-O 3.3Å; E248-S250 PolarHBondContact O-N 2.91Å; S250-D252 PolarHBondContact OG-N 2.93Å; S250-D252 VanDerWaalsContact OG-N 3.12Å; S250-M257 PolarHBondContact N-O 3.12Å; S250-P259 WeakPolarHBondContact O-CD 3.2Å; S250-D274 WeakPolarHBondContact CB-OD2 3.44Å; S250-D274 PolarHBondContact OG-OD2 3.29Å
251	S	83.8	Confident	91.5	Very high	30 Å²	30	10.5 Å²	10.5	21%	0.21	6%	0.059	C	C	.	.	S	Bend	trans	-100.1	2.8	169.5	42.8	0	0	0	0	112.4	P253 Y314	S251-P253 WeakPolarHBondContact O-CD 3.02Å; S251-Y314 VanDerWaalsContact C-CZ 3.47Å; S251-Y314 WeakPolarHBondContact CB-OH 3.21Å; S251-Y314 WeakPolarHBondContact O-CE2 3.4Å; S251-Y314 PolarHBondContact O-OH 2.83Å; S251-Y314 PolarHBondContact OG-OH 2.88Å
252	D	83.8	Confident	91	Very high	14 Å²	14	11.3 Å²	11.3	8%	0.075	6%	0.063	C	C	.	.			trans	-75.2	116.9	164.8	-170.8	-39	0	0	0	108.8	S250 S254 A255 D274 Y314	S250-D252 PolarHBondContact OG-N 2.93Å; S250-D252 VanDerWaalsContact OG-N 3.12Å; D252-S254 PolarHBondContact O-N 3.24Å; D252-S254 VanDerWaalsContact O-N 3.11Å; D252-S254 WeakPolarHBondContact OD1-CA 3.38Å; D252-S254 WeakPolarHBondContact OD1-CB 3.37Å; D252-S254 PolarHBondContact OD1-N 3.39Å; D252-S254 PolarHBondContact OD1-OG 2.91Å; D252-A255 HydrophobicContact CB-CB 4.19Å; D252-A255 WeakPolarHBondContact O-CB 3.25Å; D252-A255 PolarHBondContact O-N 2.99Å; D252-A255 VanDerWaalsContact O-N 3.11Å; D252-D274 HydrophobicContact CB-CB 4.48Å; D252-Y314 VanDerWaalsContact CA-CD1 3.46Å; D252-Y314 HydrophobicContact CB-CD1 3.43Å; D252-Y314 VanDerWaalsContact CB-CD1 3.43Å; D252-Y314 HydrophobicContact CB-CE1 3.85Å; D252-Y314 HydrophobicContact CB-CG 4.01Å
253	P	82.1	Confident	90.7	Very high	41 Å²	41	11.9 Å²	11.9	27%	0.266	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.3	-179	28.7	-35.6	0	0	0	113	S251 Q262 W340	S251-P253 WeakPolarHBondContact O-CD 3.02Å; P253-Q262 VanDerWaalsContact O-CD 3.26Å; P253-Q262 PolarHBondContact O-NE2 2.9Å; P253-Q262 PolarHBondContact O-OE1 3.24Å; P253-W340 HydrophobicContact CG-CZ3 4.44Å
254	S	83.8	Confident	90.4	Very high	11 Å²	11	12.8 Å²	12.8	8%	0.077	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.7	175.4	75.7	0	0	0	0	114.5	D252 P272 R339 W340	D252-S254 PolarHBondContact O-N 3.24Å; D252-S254 VanDerWaalsContact O-N 3.11Å; D252-S254 WeakPolarHBondContact OD1-CA 3.38Å; D252-S254 WeakPolarHBondContact OD1-CB 3.37Å; D252-S254 PolarHBondContact OD1-N 3.39Å; D252-S254 PolarHBondContact OD1-OG 2.91Å; S254-P272 WeakPolarHBondContact O-CG 3.46Å; S254-R339 PolarHBondContact O-NH1 2.89Å; S254-W340 VanDerWaalsContact CB-CH2 3.44Å; S254-W340 VanDerWaalsContact CB-CZ2 3.41Å; S254-W340 WeakPolarHBondContact OG-CH2 3.5Å; S254-W340 WeakPolarHBondContact OG-CZ2 3.23Å
255	A	91.3	Very high	89.9	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-66.7	147	176.7	0	0	0	0	0	111	D252 M257 A258 D274 D275	D252-A255 HydrophobicContact CB-CB 4.19Å; D252-A255 WeakPolarHBondContact O-CB 3.25Å; D252-A255 PolarHBondContact O-N 2.99Å; D252-A255 VanDerWaalsContact O-N 3.11Å; A255-M257 VanDerWaalsContact C-N 3.26Å; A255-A258 WeakPolarHBondContact O-CB 3.45Å; A255-A258 PolarHBondContact O-N 2.95Å; A255-D274 HydrophobicContact CB-CB 4.32Å; A255-D275 VanDerWaalsContact CA-OD2 3.26Å; A255-D275 WeakPolarHBondContact CA-OD2 3.47Å; A255-D275 WeakPolarHBondContact CB-OD1 3.33Å
256	I	95.1	Very high	89.6	Confident	11 Å²	11	14.1 Å²	14.1	6%	0.056	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.2	167.9	-167.7	60.7	0	0	0	109.9	W151 L235 V238 H239 A258 M264 F269 L271 P272 D275	W151-I256 HydrophobicContact CH2-CG2 4.47Å; W151-I256 HydrophobicContact CZ2-CG2 4.42Å; L235-I256 HydrophobicContact CD2-CD1 4.45Å; V238-I256 HydrophobicContact CB-CG1 4.24Å; V238-I256 HydrophobicContact CG1-CB 4.46Å; V238-I256 HydrophobicContact CG1-CG1 3.83Å; V238-I256 HydrophobicContact CG1-CG2 3.91Å; H239-I256 HydrophobicContact CB-CG1 4.42Å; H239-I256 PolarHBondContact ND1-O 2.75Å; I256-A258 PolarHBondContact O-N 3.29Å; I256-A258 VanDerWaalsContact O-N 3.13Å; I256-M264 HydrophobicContact CB-CE 4.26Å; I256-M264 HydrophobicContact CD1-CE 3.85Å; I256-M264 HydrophobicContact CD1-SD 4.28Å; I256-F269 HydrophobicContact CB-CZ 4.44Å; I256-F269 HydrophobicContact CD1-CE2 4.43Å; I256-F269 HydrophobicContact CD1-CZ 4.48Å; I256-F269 HydrophobicContact CG1-CZ 4.31Å; I256-L271 HydrophobicContact CG2-CD1 3.88Å; I256-P272 HydrophobicContact CB-CG 4.5Å; I256-D275 HydrophobicContact CG2-CB 4.09Å; I256-D275 PolarHBondContact N-OD1 3.11Å; I256-D275 PolarHBondContact N-OD2 2.76Å
257	M	94.9	Very high	89.3	Confident	4 Å²	4	19.8 Å²	19.8	2%	0.02	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	9.8	171.7	-61.3	-49.9	-56.4	0	0	114.6	W151 H239 H243 L247 H249 S250 A255 D275	W151-M257 HydrophobicContact CH2-SD 4.46Å; W151-M257 HydrophobicContact CZ2-SD 4.28Å; H239-M257 WeakPolarHBondContact O-CE 3.45Å; H243-M257 WeakPolarHBondContact CE1-CE 3.28Å; H243-M257 WeakPolarHBondContact ND1-CE 3.44Å; L247-M257 HydrophobicContact CB-CE 4.17Å; L247-M257 HydrophobicContact CB-CG 4.16Å; L247-M257 HydrophobicContact CB-SD 4.37Å; L247-M257 HydrophobicContact CD1-CG 3.83Å; L247-M257 HydrophobicContact CD1-SD 4.24Å; H249-M257 CarbonylContact C-O 3.04Å; H249-M257 VanDerWaalsContact CA-O 3.28Å; H249-M257 WeakPolarHBondContact CA-O 3.42Å; S250-M257 PolarHBondContact N-O 3.12Å; A255-M257 VanDerWaalsContact C-N 3.26Å; M257-D275 VanDerWaalsContact CB-OD1 3.28Å; M257-D275 WeakPolarHBondContact CB-OD1 3.44Å; M257-D275 WeakPolarHBondContact CG-OD1 3.19Å; M257-D275 PolarHBondContact N-OD1 3.01Å
258	A	92.1	Very high	88.7	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.033	13%	0.132	C	C	.	.	S	Bend	trans	-65.7	137.5	169	0	0	0	0	0	109.7	H239 A255 I256 F260	H239-A258 PolarHBondContact CE1-O 2.75Å; H239-A258 PolarHBondContact ND1-O 2.94Å; A255-A258 WeakPolarHBondContact O-CB 3.45Å; A255-A258 PolarHBondContact O-N 2.95Å; I256-A258 PolarHBondContact O-N 3.29Å; I256-A258 VanDerWaalsContact O-N 3.13Å; A258-F260 VanDerWaalsContact C-N 3.26Å; A258-F260 PolarHBondContact O-N 3.44Å; A258-F260 VanDerWaalsContact O-N 3.15Å
259	P	91.6	Very high	88.7	Confident	7 Å²	7	25 Å²	25	5%	0.045	13%	0.131	C	C	.	.	S	Bend	trans	-62.4	-30.9	-168.5	22.4	-34.4	0	0	0	114	F71 Y72 R92 C93 H249 S250	F71-P259 HydrophobicContact CE1-CG 4.03Å; Y72-P259 HydrophobicContact CE1-CG 3.97Å; R92-P259 CarbonylContact C-O 3.1Å; R92-P259 VanDerWaalsContact CA-O 3.23Å; R92-P259 WeakPolarHBondContact CA-O 3.39Å; R92-P259 WeakPolarHBondContact CB-O 3.45Å; C93-P259 PolarHBondContact N-O 2.9Å; H249-P259 HydrophobicContact CB-CB 4.48Å; S250-P259 WeakPolarHBondContact O-CD 3.2Å
260	F	89.3	Confident	88.6	Confident	17 Å²	17	29.4 Å²	29.4	8%	0.075	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-83.1	143.2	179.1	-67.1	-60.8	0	0	0	112.1	Y72 A87 R90 R92 A258 Q262	Y72-F260 HydrophobicContact CD2-CE1 4.48Å; Y72-F260 AromaticContact CD2-CE2 3.29Å; Y72-F260 HydrophobicContact CD2-CE2 3.29Å; Y72-F260 AromaticContact CD2-CZ 3.28Å; Y72-F260 HydrophobicContact CD2-CZ 3.28Å; Y72-F260 AromaticContact CE2-CE1 3.92Å; Y72-F260 HydrophobicContact CE2-CE1 3.92Å; Y72-F260 AromaticContact CE2-CE2 3.42Å; Y72-F260 HydrophobicContact CE2-CE2 3.42Å; Y72-F260 VanDerWaalsContact CE2-CE2 3.42Å; Y72-F260 AromaticContact CE2-CZ 3.07Å; Y72-F260 HydrophobicContact CE2-CZ 3.07Å; Y72-F260 AromaticContact CG-CE2 3.86Å; Y72-F260 HydrophobicContact CG-CE2 3.86Å; Y72-F260 HydrophobicContact CG-CZ 4.29Å; Y72-F260 AromaticContact CZ-CZ 3.95Å; A87-F260 HydrophobicContact CB-CZ 4.26Å; A87-F260 WeakPolarHBondContact O-CE1 3.32Å; A87-F260 VanDerWaalsContact O-CZ 3.22Å; A87-F260 WeakPolarHBondContact O-CZ 3.33Å; R90-F260 HydrophobicContact CB-CD1 3.55Å; R90-F260 HydrophobicContact CB-CE1 3.67Å; R90-F260 HydrophobicContact CB-CG 4.37Å; R90-F260 HydrophobicContact CG-CD1 4.46Å; R90-F260 HydrophobicContact CG-CE1 4.39Å; R92-F260 HydrophobicContact CB-CD1 4.03Å; A258-F260 VanDerWaalsContact C-N 3.26Å; A258-F260 PolarHBondContact O-N 3.44Å; A258-F260 VanDerWaalsContact O-N 3.15Å; F260-Q262 PolarHBondContact O-N 3.18Å
261	Y	90.4	Very high	88.7	Confident	22 Å²	22	29.6 Å²	29.6	9%	0.086	16%	0.159	C	C	.	.			trans	-57.5	130.9	164.9	-178.6	-111.4	0	0	0	110.9	P91 L199 D232 L235 V236	P91-Y261 PolarHBondContact O-N 3.23Å; L199-Y261 HydrophobicContact CD1-CD2 3.91Å; L199-Y261 HydrophobicContact CD1-CG 3.84Å; D232-Y261 PolarHBondContact N-OH 3.48Å; L235-Y261 HydrophobicContact CB-CE2 4.25Å; L235-Y261 HydrophobicContact CD1-CE2 4.3Å; V236-Y261 HydrophobicContact CG2-CD2 3.95Å; V236-Y261 HydrophobicContact CG2-CE2 4.11Å
262	Q	86.8	Confident	89.1	Confident	19 Å²	19	28.5 Å²	28.5	9%	0.089	15%	0.151	C	C	.	.			trans	-140.6	121.8	178.5	-70.1	-173.5	85.7	0	0	108.2	P253 F260 M264	P253-Q262 VanDerWaalsContact O-CD 3.26Å; P253-Q262 PolarHBondContact O-NE2 2.9Å; P253-Q262 PolarHBondContact O-OE1 3.24Å; F260-Q262 PolarHBondContact O-N 3.18Å; Q262-M264 PolarHBondContact O-N 2.89Å
263	W	90.1	Very high	89.4	Confident	11 Å²	11	32 Å²	32	4%	0.042	17%	0.169	C	C	.	.			trans	-66.2	132.2	175.2	-179.8	87.1	0	0	0	109.9	N225 L228 D265 R362 G363 L364	N225-W263 WeakPolarHBondContact OD1-CZ2 3.17Å; L228-W263 HydrophobicContact CD2-CD2 4.5Å; L228-W263 HydrophobicContact CD2-CZ2 4.29Å; L228-W263 VanDerWaalsContact CD2-NE1 3.35Å; W263-D265 HydrophobicContact CH2-CB 4.03Å; W263-D265 HydrophobicContact CZ2-CB 4.46Å; W263-R362 HydrophobicContact CB-CB 4.46Å; W263-R362 HydrophobicContact CB-CG 4.1Å; W263-G363 VanDerWaalsContact CH2-C 3.43Å; W263-L364 VanDerWaalsContact CZ3-O 3.31Å; W263-L364 WeakPolarHBondContact CZ3-O 3.35Å
264	M	90.3	Very high	89.8	Confident	19 Å²	19	30.8 Å²	30.8	9%	0.094	16%	0.161	C	C	.	.			trans	-129.9	150.8	170.9	-53.5	-163.5	-167.4	0	0	108.4	L235 I256 Q262 T266 F269 P272	L235-M264 HydrophobicContact CD1-CB 4.45Å; L235-M264 HydrophobicContact CD2-CB 4Å; I256-M264 HydrophobicContact CB-CE 4.26Å; I256-M264 HydrophobicContact CD1-CE 3.85Å; I256-M264 HydrophobicContact CD1-SD 4.28Å; Q262-M264 PolarHBondContact O-N 2.89Å; M264-T266 PolarHBondContact O-N 2.71Å; M264-T266 VanDerWaalsContact O-N 3.14Å; M264-F269 HydrophobicContact CB-CD2 4.33Å; M264-F269 HydrophobicContact CB-CE2 4.23Å; M264-F269 HydrophobicContact SD-CE2 3.97Å; M264-P272 HydrophobicContact SD-CG 4.37Å
265	D	87.6	Confident	90.3	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.144	16%	0.158	C	C	.	.			trans	-58.8	118.9	175.4	176.2	16.9	0	0	0	110.6	N225 W263 E267 N268 F269	N225-D265 PolarHBondContact ND2-OD1 2.95Å; W263-D265 HydrophobicContact CH2-CB 4.03Å; W263-D265 HydrophobicContact CZ2-CB 4.46Å; D265-E267 WeakPolarHBondContact OD1-CB 3.28Å; D265-E267 PolarHBondContact OD1-N 3.4Å; D265-N268 PolarHBondContact OD2-ND2 2.89Å; D265-F269 WeakPolarHBondContact O-CA 3.06Å; D265-F269 PolarHBondContact O-N 3.35Å
266	T	90.4	Very high	90.4	Very high	3 Å²	3	34 Å²	34	2%	0.018	17%	0.171	C	C	.	.	S	Bend	trans	-86.8	-18.5	-177	63.6	0	0	0	0	113.3	K146 G224 N225 F234 L235 M264	K146-T266 PolarHBondContact NZ-O 2.98Å; G224-T266 WeakPolarHBondContact CA-OG1 3.26Å; N225-T266 PolarHBondContact OD1-N 2.85Å; N225-T266 PolarHBondContact OD1-OG1 2.8Å; F234-T266 HydrophobicContact CD1-CG2 3.93Å; F234-T266 HydrophobicContact CE1-CG2 4.39Å; L235-T266 HydrophobicContact CD1-CG2 4.25Å; L235-T266 HydrophobicContact CD2-CG2 4.14Å; L235-T266 HydrophobicContact CG-CG2 3.99Å; M264-T266 PolarHBondContact O-N 2.71Å; M264-T266 VanDerWaalsContact O-N 3.14Å
267	E	84.9	Confident	90.2	Very high	119 Å²	119	38.1 Å²	38.1	56%	0.556	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-47.4	178.1	-77.6	171.5	-138.8	0	0	110.4	N225 D265 K386	N225-E267 PolarHBondContact ND2-OE1 3.42Å; D265-E267 WeakPolarHBondContact OD1-CB 3.28Å; D265-E267 PolarHBondContact OD1-N 3.4Å; E267-K386 IonicContact OE2-NZ 3.96Å
268	N	82	Confident	90.1	Very high	116 Å²	116	38 Å²	38	62%	0.62	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115	38.5	-176.2	-54.9	-83.9	0	0	0	111.4	D265 V270	D265-N268 PolarHBondContact OD2-ND2 2.89Å; N268-V270 PolarHBondContact O-N 3.42Å
269	F	90.9	Very high	90.2	Very high	32 Å²	32	37.9 Å²	37.9	14%	0.14	19%	0.185	C	C	.	.			trans	-60.8	126.6	-176.1	-173.6	-87.5	0	0	0	111.4	V150 F234 L235 V238 I256 M264 D265	V150-F269 HydrophobicContact CG1-CD1 4.25Å; V150-F269 HydrophobicContact CG1-CE1 3.79Å; V150-F269 HydrophobicContact CG2-CD1 3.98Å; V150-F269 HydrophobicContact CG2-CE1 4.24Å; F234-F269 HydrophobicContact CE1-CB 3.8Å; F234-F269 HydrophobicContact CE1-CD1 4.27Å; F234-F269 AromaticContact CE1-CD2 3.86Å; F234-F269 HydrophobicContact CE1-CD2 3.86Å; F234-F269 AromaticContact CE1-CG 3.7Å; F234-F269 HydrophobicContact CE1-CG 3.7Å; F234-F269 HydrophobicContact CZ-CB 3.87Å; F234-F269 AromaticContact CZ-CD1 3.83Å; F234-F269 HydrophobicContact CZ-CD1 3.83Å; F234-F269 HydrophobicContact CZ-CD2 4.26Å; F234-F269 HydrophobicContact CZ-CE1 4.48Å; F234-F269 AromaticContact CZ-CG 3.71Å; F234-F269 HydrophobicContact CZ-CG 3.71Å; L235-F269 HydrophobicContact CD2-CD2 3.8Å; L235-F269 HydrophobicContact CD2-CE2 3.66Å; V238-F269 HydrophobicContact CG1-CE1 4.31Å; V238-F269 HydrophobicContact CG1-CZ 4.18Å; I256-F269 HydrophobicContact CB-CZ 4.44Å; I256-F269 HydrophobicContact CD1-CE2 4.43Å; I256-F269 HydrophobicContact CD1-CZ 4.48Å; I256-F269 HydrophobicContact CG1-CZ 4.31Å; M264-F269 HydrophobicContact CB-CD2 4.33Å; M264-F269 HydrophobicContact CB-CE2 4.23Å; M264-F269 HydrophobicContact SD-CE2 3.97Å; D265-F269 WeakPolarHBondContact O-CA 3.06Å; D265-F269 PolarHBondContact O-N 3.35Å
270	V	89.6	Confident	90.3	Very high	103 Å²	103	39.5 Å²	39.5	62%	0.624	19%	0.192	S	C	*	.			trans	-124.2	127.8	172.8	178.2	0	0	0	0	108.1	N268 P272	N268-V270 PolarHBondContact O-N 3.42Å; V270-P272 WeakPolarHBondContact O-CD 3.23Å
271	L	92.8	Very high	90.4	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.058	22%	0.217	C	C	.	.			trans	-57.3	120.5	178.5	-174	67.3	0	0	0	110.2	V150 W151 A154 V238 I256 D275 R276 I279	V150-L271 HydrophobicContact CG1-CB 4.08Å; V150-L271 HydrophobicContact CG1-CD1 4Å; V150-L271 HydrophobicContact CG1-CG 4.47Å; W151-L271 HydrophobicContact CE3-CD1 4.33Å; W151-L271 HydrophobicContact CE3-CD2 3.86Å; W151-L271 HydrophobicContact CH2-CD1 3.77Å; W151-L271 HydrophobicContact CH2-CD2 4.43Å; W151-L271 HydrophobicContact CZ2-CD1 4.25Å; W151-L271 HydrophobicContact CZ3-CD1 3.81Å; W151-L271 HydrophobicContact CZ3-CD2 3.64Å; W151-L271 HydrophobicContact CZ3-CG 4.34Å; A154-L271 HydrophobicContact CB-CD2 3.77Å; V238-L271 HydrophobicContact CG1-CD1 4.48Å; I256-L271 HydrophobicContact CG2-CD1 3.88Å; L271-D275 HydrophobicContact CD1-CB 3.78Å; L271-D275 HydrophobicContact CG-CB 4.05Å; L271-R276 HydrophobicContact CD2-CB 3.89Å; L271-R276 HydrophobicContact CD2-CG 4.31Å; L271-R276 HydrophobicContact CG-CB 4.16Å; L271-R276 PolarHBondContact O-NH1 3.18Å; L271-I279 HydrophobicContact CD2-CG2 4.37Å
272	P	91.9	Very high	90.4	Very high	7 Å²	7	44.4 Å²	44.4	5%	0.045	22%	0.217	C	C	.	.			trans	-62.1	158.8	-174.4	-18.5	29.3	0	0	0	113	S254 I256 M264 V270 D274 D275 R276	S254-P272 WeakPolarHBondContact O-CG 3.46Å; I256-P272 HydrophobicContact CB-CG 4.5Å; M264-P272 HydrophobicContact SD-CG 4.37Å; V270-P272 WeakPolarHBondContact O-CD 3.23Å; P272-D274 VanDerWaalsContact C-N 3.27Å; P272-D274 PolarHBondContact O-N 2.83Å; P272-D275 WeakPolarHBondContact CB-OD2 3.49Å; P272-D275 VanDerWaalsContact CD-OD2 3.29Å; P272-D275 WeakPolarHBondContact CD-OD2 3.33Å; P272-D275 VanDerWaalsContact CG-OD2 3.27Å; P272-D275 WeakPolarHBondContact CG-OD2 3.45Å; P272-D275 PolarHBondContact O-N 3.13Å; P272-R276 WeakPolarHBondContact O-CB 3.45Å; P272-R276 PolarHBondContact O-N 3.04Å
273	D	89.4	Confident	90.7	Very high	87 Å²	87	44.5 Å²	44.5	47%	0.465	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-31.7	-171.6	-90.4	29.9	0	0	0	114.2	R276 R277	D273-R276 VanDerWaalsContact CG-NH2 3.27Å; D273-R276 IonicContact OD1-CZ 2.66Å; D273-R276 IonicContact OD1-NH1 2.82Å; D273-R276 PolarHBondContact OD1-NH1 2.96Å; D273-R276 IonicContact OD1-NH2 3.19Å; D273-R276 PolarHBondContact OD1-NH2 3.44Å; D273-R276 IonicContact OD2-NH2 3.19Å; D273-R277 WeakPolarHBondContact O-CB 3.28Å; D273-R277 WeakPolarHBondContact O-CD 3.29Å; D273-R277 WeakPolarHBondContact O-CG 3.45Å; D273-R277 PolarHBondContact O-N 2.85Å; D273-R277 PolarHBondContact O-NE 2.88Å
274	D	90.1	Very high	90.8	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-51.2	177.7	-158.4	50.9	0	0	0	111.5	Y112 S250 D252 A255 P272 R276 R277 G278	Y112-D274 WeakPolarHBondContact CD1-OD1 3.48Å; S250-D274 WeakPolarHBondContact CB-OD2 3.44Å; S250-D274 PolarHBondContact OG-OD2 3.29Å; D252-D274 HydrophobicContact CB-CB 4.48Å; A255-D274 HydrophobicContact CB-CB 4.32Å; P272-D274 VanDerWaalsContact C-N 3.27Å; P272-D274 PolarHBondContact O-N 2.83Å; D274-R276 PolarHBondContact O-N 3.19Å; D274-R277 PolarHBondContact O-N 2.93Å; D274-R277 IonicContact OD1-NH2 2.72Å; D274-R277 PolarHBondContact OD1-NH2 3.26Å; D274-G278 PolarHBondContact O-N 3.49Å
275	D	94.4	Very high	90.6	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-45.9	-180	-45.5	-78.1	0	0	0	111.6	W151 A255 I256 M257 L271 P272 R277 G278 I279	W151-D275 HydrophobicContact CH2-CB 4.14Å; W151-D275 HydrophobicContact CZ3-CB 4.5Å; A255-D275 VanDerWaalsContact CA-OD2 3.26Å; A255-D275 WeakPolarHBondContact CA-OD2 3.47Å; A255-D275 WeakPolarHBondContact CB-OD1 3.33Å; I256-D275 HydrophobicContact CG2-CB 4.09Å; I256-D275 PolarHBondContact N-OD1 3.11Å; I256-D275 PolarHBondContact N-OD2 2.76Å; M257-D275 VanDerWaalsContact CB-OD1 3.28Å; M257-D275 WeakPolarHBondContact CB-OD1 3.44Å; M257-D275 WeakPolarHBondContact CG-OD1 3.19Å; M257-D275 PolarHBondContact N-OD1 3.01Å; L271-D275 HydrophobicContact CD1-CB 3.78Å; L271-D275 HydrophobicContact CG-CB 4.05Å; P272-D275 WeakPolarHBondContact CB-OD2 3.49Å; P272-D275 VanDerWaalsContact CD-OD2 3.29Å; P272-D275 WeakPolarHBondContact CD-OD2 3.33Å; P272-D275 VanDerWaalsContact CG-OD2 3.27Å; P272-D275 WeakPolarHBondContact CG-OD2 3.45Å; P272-D275 PolarHBondContact O-N 3.13Å; D275-R277 VanDerWaalsContact C-N 3.32Å; D275-R277 PolarHBondContact O-N 2.85Å; D275-G278 PolarHBondContact O-N 2.84Å; D275-I279 WeakPolarHBondContact O-CG2 3.26Å; D275-I279 PolarHBondContact O-N 3.09Å
276	R	94.5	Very high	89.9	Confident	73 Å²	73	48.9 Å²	48.9	28%	0.275	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-39	178.1	-170.8	175	70.1	-101.1	1	112.1	A154 L271 P272 D273 D274 I279 Q280	A154-R276 HydrophobicContact CB-CG 4.4Å; L271-R276 HydrophobicContact CD2-CB 3.89Å; L271-R276 HydrophobicContact CD2-CG 4.31Å; L271-R276 HydrophobicContact CG-CB 4.16Å; L271-R276 PolarHBondContact O-NH1 3.18Å; P272-R276 WeakPolarHBondContact O-CB 3.45Å; P272-R276 PolarHBondContact O-N 3.04Å; D273-R276 VanDerWaalsContact CG-NH2 3.27Å; D273-R276 IonicContact OD1-CZ 2.66Å; D273-R276 IonicContact OD1-NH1 2.82Å; D273-R276 PolarHBondContact OD1-NH1 2.96Å; D273-R276 IonicContact OD1-NH2 3.19Å; D273-R276 PolarHBondContact OD1-NH2 3.44Å; D273-R276 IonicContact OD2-NH2 3.19Å; D274-R276 PolarHBondContact O-N 3.19Å; R276-I279 WeakPolarHBondContact O-CG2 3.2Å; R276-Q280 VanDerWaalsContact O-CB 3.25Å; R276-Q280 WeakPolarHBondContact O-CB 3.47Å; R276-Q280 WeakPolarHBondContact O-CG 3.31Å; R276-Q280 PolarHBondContact O-N 3.29Å
277	R	91.2	Very high	88.6	Confident	99 Å²	99	52.7 Å²	52.7	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-75.5	-35.6	176.4	-68.4	174.7	-52	-152.7	5.4	111.8	Y112 D273 D274 D275 Q281	Y112-R277 HydrophobicContact CD1-CB 4.07Å; Y112-R277 HydrophobicContact CE1-CB 3.43Å; Y112-R277 VanDerWaalsContact CE1-CB 3.43Å; Y112-R277 HydrophobicContact CE1-CG 4.4Å; D273-R277 WeakPolarHBondContact O-CB 3.28Å; D273-R277 WeakPolarHBondContact O-CD 3.29Å; D273-R277 WeakPolarHBondContact O-CG 3.45Å; D273-R277 PolarHBondContact O-N 2.85Å; D273-R277 PolarHBondContact O-NE 2.88Å; D274-R277 PolarHBondContact O-N 2.93Å; D274-R277 IonicContact OD1-NH2 2.72Å; D274-R277 PolarHBondContact OD1-NH2 3.26Å; D275-R277 VanDerWaalsContact C-N 3.32Å; D275-R277 PolarHBondContact O-N 2.85Å; R277-Q281 PolarHBondContact O-N 3.47Å
278	G	91.6	Very high	87	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-52.3	174.6	0	0	0	0	0	111.9	D274 D275 Q280 Q281 L282	D274-G278 PolarHBondContact O-N 3.49Å; D275-G278 PolarHBondContact O-N 2.84Å; G278-Q280 PolarHBondContact O-N 2.89Å; G278-Q281 WeakPolarHBondContact O-CB 3.41Å; G278-Q281 PolarHBondContact O-N 2.9Å; G278-Q281 VanDerWaalsContact O-N 3.14Å; G278-L282 PolarHBondContact O-N 2.89Å
279	I	94.6	Very high	85.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.4	-37.4	-179.2	-160.8	71.2	0	0	0	112	W151 A154 T155 L245 L247 L271 D275 R276 Q281 L282 Y283	W151-I279 HydrophobicContact CE3-CB 4.06Å; W151-I279 HydrophobicContact CE3-CD1 4.26Å; W151-I279 HydrophobicContact CE3-CG1 3.86Å; W151-I279 HydrophobicContact CE3-CG2 4.03Å; W151-I279 HydrophobicContact CZ3-CB 3.78Å; W151-I279 HydrophobicContact CZ3-CD1 4.36Å; W151-I279 HydrophobicContact CZ3-CG1 4.05Å; W151-I279 HydrophobicContact CZ3-CG2 3.87Å; A154-I279 HydrophobicContact CB-CG2 4.12Å; T155-I279 HydrophobicContact CG2-CB 4.27Å; T155-I279 HydrophobicContact CG2-CG1 3.47Å; T155-I279 VanDerWaalsContact CG2-CG1 3.47Å; T155-I279 HydrophobicContact CG2-CG2 3.86Å; L245-I279 HydrophobicContact CB-CD1 3.78Å; L245-I279 HydrophobicContact CD1-CD1 4.14Å; L247-I279 HydrophobicContact CD1-CB 4.31Å; L247-I279 HydrophobicContact CD1-CD1 4.25Å; L247-I279 HydrophobicContact CD2-CB 4.47Å; L247-I279 HydrophobicContact CD2-CD1 4.36Å; L247-I279 HydrophobicContact CG-CD1 4.16Å; L271-I279 HydrophobicContact CD2-CG2 4.37Å; D275-I279 WeakPolarHBondContact O-CG2 3.26Å; D275-I279 PolarHBondContact O-N 3.09Å; R276-I279 WeakPolarHBondContact O-CG2 3.2Å; I279-Q281 VanDerWaalsContact C-N 3.25Å; I279-Q281 PolarHBondContact O-N 3.22Å; I279-L282 WeakPolarHBondContact O-CB 3.27Å; I279-L282 PolarHBondContact O-N 3.21Å; I279-Y283 HydrophobicContact CD1-CD2 3.72Å; I279-Y283 HydrophobicContact CD1-CE2 3.7Å; I279-Y283 HydrophobicContact CG1-CD2 4Å; I279-Y283 HydrophobicContact CG1-CE2 4.48Å; I279-Y283 PolarHBondContact O-N 3.29Å
280	Q	94.1	Very high	82.8	Confident	41 Å²	41	56.1 Å²	56.1	19%	0.192	31%	0.31	C	S	.	.	H	α-helix	trans	-68.9	-21.6	175	-72.3	176.5	-7.9	0	0	113.1	A154 R276 G278 L282 G284	A154-Q280 VanDerWaalsContact O-CG 3.28Å; A154-Q280 WeakPolarHBondContact O-CG 3.34Å; A154-Q280 PolarHBondContact O-NE2 3.42Å; R276-Q280 VanDerWaalsContact O-CB 3.25Å; R276-Q280 WeakPolarHBondContact O-CB 3.47Å; R276-Q280 WeakPolarHBondContact O-CG 3.31Å; R276-Q280 PolarHBondContact O-N 3.29Å; G278-Q280 PolarHBondContact O-N 2.89Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-G284 WeakPolarHBondContact O-CA 3.33Å; Q280-G284 PolarHBondContact O-N 2.89Å
281	Q	91.1	Very high	80.5	Confident	127 Å²	127	56.1 Å²	56.1	59%	0.593	31%	0.31	S	S	*	.	H	α-helix	trans	-73.5	-27.3	169.7	-174.8	173.1	4.9	0	0	112.4	I114 R277 G278 I279	I114-Q281 HydrophobicContact CD1-CB 3.86Å; I114-Q281 HydrophobicContact CD1-CG 3.99Å; R277-Q281 PolarHBondContact O-N 3.47Å; G278-Q281 WeakPolarHBondContact O-CB 3.41Å; G278-Q281 PolarHBondContact O-N 2.9Å; G278-Q281 VanDerWaalsContact O-N 3.14Å; I279-Q281 VanDerWaalsContact C-N 3.25Å; I279-Q281 PolarHBondContact O-N 3.22Å
282	L	90.7	Very high	77.8	Confident	16 Å²	16	65.1 Å²	65.1	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-81.8	-45.9	176.8	-75.7	177.2	0	0	0	113	I114 K118 L247 G278 I279 Q280	I114-L282 HydrophobicContact CD1-CG 4.47Å; I114-L282 HydrophobicContact CG2-CD1 4.23Å; I114-L282 HydrophobicContact CG2-CD2 3.49Å; I114-L282 VanDerWaalsContact CG2-CD2 3.49Å; I114-L282 HydrophobicContact CG2-CG 3.95Å; K118-L282 HydrophobicContact CB-CD2 4.14Å; K118-L282 HydrophobicContact CD-CD2 4.34Å; K118-L282 WeakPolarHBondContact CD-O 3.35Å; K118-L282 PolarHBondContact NZ-O 3.15Å; L247-L282 HydrophobicContact CD2-CD1 3.99Å; G278-L282 PolarHBondContact O-N 2.89Å; I279-L282 WeakPolarHBondContact O-CB 3.27Å; I279-L282 PolarHBondContact O-N 3.21Å; Q280-L282 VanDerWaalsContact C-N 3.35Å
283	Y	93.5	Very high	75.1	Confident	21 Å²	21	72.3 Å²	72.3	8%	0.082	38%	0.384	C	S	.	.	H	α-helix	trans	-117.8	-10.8	-168.7	-59.5	-76.5	0	0	0	114.6	K118 W119 P156 L157 L245 I279	K118-Y283 HydrophobicContact CB-CE1 4.16Å; K118-Y283 HydrophobicContact CD-CE1 4.43Å; W119-Y283 HydrophobicContact CB-CE1 4.19Å; W119-Y283 PolarHBondContact N-OH 3.26Å; P156-Y283 VanDerWaalsContact CD-O 3.32Å; P156-Y283 WeakPolarHBondContact CD-O 3.14Å; P156-Y283 WeakPolarHBondContact CG-O 3.28Å; L157-Y283 HydrophobicContact CD1-CD1 4.13Å; L157-Y283 HydrophobicContact CD1-CD2 3.94Å; L157-Y283 HydrophobicContact CD1-CE1 4.26Å; L157-Y283 HydrophobicContact CD1-CE2 4.08Å; L157-Y283 HydrophobicContact CD1-CG 3.96Å; L157-Y283 HydrophobicContact CD2-CD1 3.61Å; L157-Y283 HydrophobicContact CD2-CE1 3.95Å; L157-Y283 HydrophobicContact CD2-CG 4.1Å; L157-Y283 HydrophobicContact CG-CD1 4.11Å; L157-Y283 HydrophobicContact CG-CG 4.09Å; L245-Y283 HydrophobicContact CB-CE2 4.32Å; L245-Y283 VanDerWaalsContact O-CE2 3.23Å; L245-Y283 WeakPolarHBondContact O-CE2 3.21Å; L245-Y283 PolarHBondContact O-OH 3.18Å; I279-Y283 HydrophobicContact CD1-CD2 3.72Å; I279-Y283 HydrophobicContact CD1-CE2 3.7Å; I279-Y283 HydrophobicContact CG1-CD2 4Å; I279-Y283 HydrophobicContact CG1-CE2 4.48Å; I279-Y283 PolarHBondContact O-N 3.29Å
284	G	90.2	Very high	72.8	Confident	25 Å²	25	72.4 Å²	72.4	26%	0.258	39%	0.389	S	S	.	.			trans	82.3	-176.5	-169.9	0	0	0	0	0	112.4	P156 Q280	P156-G284 WeakPolarHBondContact CD-O 3.35Å; Q280-G284 WeakPolarHBondContact O-CA 3.33Å; Q280-G284 PolarHBondContact O-N 2.89Å
285	S	88	Confident	70.3	Confident	20 Å²	20	77.4 Å²	77.4	14%	0.14	42%	0.423	C	S	.	.			trans	-111.8	144.9	-179.3	57.3	0	0	0	0	111.4	S287 G288	S285-S287 PolarHBondContact O-N 3.17Å; S285-G288 PolarHBondContact O-N 3.47Å; S285-G288 VanDerWaalsContact O-N 3.15Å
286	E	71.8	Confident	67.6	Low	103 Å²	103	85.5 Å²	85.5	48%	0.481	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.8	-175.3	-164.5	-178.6	-155	0	0	113.7	R158 G288	R158-E286 IonicContact CZ-OE1 2.87Å; R158-E286 IonicContact NH1-OE1 3.91Å; R158-E286 IonicContact NH2-OE1 3.11Å; R158-E286 PolarHBondContact NH2-OE1 2.93Å; E286-G288 PolarHBondContact O-N 2.98Å; E286-G288 VanDerWaalsContact O-N 3.17Å
287	S	63.3	Low	64.8	Low	83 Å²	83	86.4 Å²	86.4	58%	0.58	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	2.1	-177.3	59	0	0	0	0	115.6	S285 F289	S285-S287 PolarHBondContact O-N 3.17Å; S287-F289 VanDerWaalsContact O-CD2 3.26Å; S287-F289 WeakPolarHBondContact O-CD2 3.38Å; S287-F289 PolarHBondContact O-N 3.14Å
288	G	51.2	Low	62.1	Low	66 Å²	66	93.5 Å²	93.5	68%	0.68	50%	0.502	S	S	*	.			trans	68.1	-4.3	171.9	0	0	0	0	0	116.4	S285 E286	S285-G288 PolarHBondContact O-N 3.47Å; S285-G288 VanDerWaalsContact O-N 3.15Å; E286-G288 PolarHBondContact O-N 2.98Å; E286-G288 VanDerWaalsContact O-N 3.17Å
289	F	44	Very low	59.5	Low	158 Å²	158	99.3 Å²	99.3	69%	0.693	54%	0.538	S	S	*	.			trans	-70.6	125.6	174.6	-71	-78.5	0	0	0	110.1	S287 T291	S287-F289 VanDerWaalsContact O-CD2 3.26Å; S287-F289 WeakPolarHBondContact O-CD2 3.38Å; S287-F289 PolarHBondContact O-N 3.14Å; F289-T291 PolarHBondContact O-N 3.14Å
290	P	40.1	Very low	56.9	Low	115 Å²	115	105.9 Å²	105.9	75%	0.747	58%	0.578	S	S	*	*			trans	-67.1	111.9	175.1	25.7	-30.9	0	0	0	109	K292	P290-K292 PolarHBondContact O-N 3.05Å
291	T	42.5	Very low	53.9	Low	103 Å²	103	109.8 Å²	109.8	63%	0.632	61%	0.61	S	S	*	*			trans	-56.5	104.8	165.3	28.6	0	0	0	0	107.7	F289 M293	F289-T291 PolarHBondContact O-N 3.14Å; T291-M293 PolarHBondContact O-N 2.91Å
292	K	35	Very low	51.1	Low	201 Å²	201	114.8 Å²	114.8	87%	0.874	62%	0.623	S	S	*	*			trans	-52.4	112.1	178	-75	-176.4	178.9	177.2	0	108.3	P290	P290-K292 PolarHBondContact O-N 3.05Å
293	M	36.4	Very low	48.6	Very low	158 Å²	158	120.2 Å²	120.2	78%	0.778	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-50.9	124.4	176.5	-173.7	170.6	65.9	0	0	108.2	T291	T291-M293 PolarHBondContact O-N 2.91Å
294	P	41.4	Very low	45.7	Very low	89 Å²	89	124.6 Å²	124.6	58%	0.578	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-55.3	132.8	178.8	-25	33.6	0	0	0	109.1	Q296	P294-Q296 PolarHBondContact O-N 2.85Å
295	P	36.7	Very low	43.1	Very low	122 Å²	122	129.8 Å²	129.8	79%	0.792	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-57	135.5	-176.7	22.4	-32.7	0	0	0	109.9
296	Q	38.2	Very low	40.9	Very low	173 Å²	173	134.2 Å²	134.2	81%	0.808	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.8	176.5	-75.5	-177.8	-22.5	0	0	109.6	P294 R298	P294-Q296 PolarHBondContact O-N 2.85Å; Q296-R298 PolarHBondContact O-N 2.94Å; Q296-R298 VanDerWaalsContact O-N 3.13Å
297	P	36.3	Very low	39.6	Very low	92 Å²	92	137.2 Å²	137.2	60%	0.597	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.7	118.1	175.5	26	-32.1	0	0	0	109.2
298	R	33.1	Very low	38.2	Very low	248 Å²	248	142.3 Å²	142.3	94%	0.936	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-55.5	143.7	168.3	-84.5	-178	166.5	-169.8	-3.8	109.8	Q296	Q296-R298 PolarHBondContact O-N 2.94Å; Q296-R298 VanDerWaalsContact O-N 3.13Å
299	T	37.4	Very low	37.8	Very low	125 Å²	125	144.1 Å²	144.1	77%	0.767	78%	0.779	S	S	*	*	S	Bend	trans	-65.6	154.6	176.8	42	0	0	0	0	112.9
300	T	39.6	Very low	38.1	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	79%	0.786	S	S	*	*			trans	78.5	109.1	169.3	70.6	0	0	0	0	118.5
301	S	32.3	Very low	38.6	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	78%	0.781	S	S	*	*				-155.7	143.3	121.7	61.8	0	0	0	0	111.7
302	R	31.9	Very low	39.1	Very low	231 Å²	231	143.1 Å²	143.1	87%	0.872	76%	0.764	S	S	*	*			trans	-45	150.3	179.3	-164.1	174.2	-171.5	170.8	0.7	114.9	S304	R302-S304 PolarHBondContact O-N 3.24Å
303	P	37.8	Very low	40.4	Very low	130 Å²	130	139.3 Å²	139.3	84%	0.844	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.8	178.2	27	-33.2	0	0	0	111.7
304	S	33.8	Very low	41.8	Very low	113 Å²	113	135 Å²	135	79%	0.79	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-102.6	146.4	172	56.8	0	0	0	0	111.3	R302	R302-S304 PolarHBondContact O-N 3.24Å
305	V	34.2	Very low	43.6	Very low	134 Å²	134	132.3 Å²	132.3	81%	0.812	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-47.3	139.1	-178.4	-178.5	0	0	0	0	113	D307	V305-D307 PolarHBondContact O-N 3.27Å
306	P	42.8	Very low	46	Very low	114 Å²	114	127.5 Å²	127.5	74%	0.74	69%	0.69	S	S	*	*			trans	-81.5	113.1	173.8	32.4	-31.3	0	0	0	110.9
307	D	43.9	Very low	48.5	Very low	165 Å²	165	121 Å²	121	88%	0.882	66%	0.661	S	S	*	*			trans	-164.7	100.8	142.8	-102.3	-30.2	0	0	0	110.7	V305	V305-D307 PolarHBondContact O-N 3.27Å
308	K	34.8	Very low	51.1	Low	191 Å²	191	117.2 Å²	117.2	83%	0.83	64%	0.636	S	S	*	*	S	Bend	trans	-144.6	150.6	161.7	-84.1	-165.2	176.5	-176.8	0	107.8	K310	K308-K310 PolarHBondContact O-N 2.91Å
309	P	42.6	Very low	54	Low	104 Å²	104	107.9 Å²	107.9	68%	0.675	61%	0.608	S	S	*	*			trans	-54	132.1	177	2.4	-4.1	0	0	0	109.4	N311	P309-N311 PolarHBondContact O-N 3.49Å
310	K	48.8	Very low	56.5	Low	192 Å²	192	106.6 Å²	106.6	84%	0.835	60%	0.596	S	S	*	*			trans	-60.4	104.8	-177.4	-63	174.9	-173.5	168.5	0	108.3	K308	K308-K310 PolarHBondContact O-N 2.91Å
311	N	50.5	Low	59	Low	122 Å²	122	100 Å²	100	65%	0.652	56%	0.556	S	S	*	*			trans	-54.2	128.7	158.3	-83.6	-14	0	0	0	106.3	P309 N317	P309-N311 PolarHBondContact O-N 3.49Å; N311-N317 PolarHBondContact OD1-ND2 3.06Å
312	P	54	Low	62	Low	41 Å²	41	98.5 Å²	98.5	27%	0.266	54%	0.538	S	S	.	.			trans	-62.4	146	179.6	29.2	-35.4	0	0	0	108.9	Y314 P354	P312-Y314 WeakPolarHBondContact CB-O 3.27Å; P312-Y314 PolarHBondContact O-N 3.1Å; P312-P354 HydrophobicContact CB-CG 4.23Å; P312-P354 HydrophobicContact CG-CG 4.34Å
313	T	61.7	Low	65.1	Low	120 Å²	120	87.5 Å²	87.5	74%	0.736	50%	0.496	S	S	*	.	S	Bend	trans	-62.5	-26.9	-179.4	-42.4	0	0	0	0	111.5
314	Y	67	Low	67.8	Low	67 Å²	67	83.5 Å²	83.5	26%	0.263	47%	0.468	S	S	.	.	S	Bend	trans	-140.8	156	-177.8	-50.4	-70.5	0	0	0	110.5	S251 D252 P312 P354	S251-Y314 VanDerWaalsContact C-CZ 3.47Å; S251-Y314 WeakPolarHBondContact CB-OH 3.21Å; S251-Y314 WeakPolarHBondContact O-CE2 3.4Å; S251-Y314 PolarHBondContact O-OH 2.83Å; S251-Y314 PolarHBondContact OG-OH 2.88Å; D252-Y314 VanDerWaalsContact CA-CD1 3.46Å; D252-Y314 HydrophobicContact CB-CD1 3.43Å; D252-Y314 VanDerWaalsContact CB-CD1 3.43Å; D252-Y314 HydrophobicContact CB-CE1 3.85Å; D252-Y314 HydrophobicContact CB-CG 4.01Å; P312-Y314 WeakPolarHBondContact CB-O 3.27Å; P312-Y314 PolarHBondContact O-N 3.1Å; Y314-P354 WeakPolarHBondContact O-CG 3.3Å
315	G	77.8	Confident	70.9	Confident	33 Å²	33	78.1 Å²	78.1	34%	0.34	43%	0.43	S	S	.	.	S	Bend	trans	75.7	175.7	179.4	0	0	0	0	0	115.6
316	P	88.5	Confident	73.9	Confident	21 Å²	21	71.7 Å²	71.7	14%	0.136	39%	0.392	C	S	.	.			trans	-69	158.6	-179.6	27.6	-34.3	0	0	0	112.4	K337 W340 W342	P316-K337 HydrophobicContact CB-CD 4.44Å; P316-K337 HydrophobicContact CG-CD 4.4Å; P316-W340 HydrophobicContact CG-CB 4.31Å; P316-W340 HydrophobicContact CG-CG 4.08Å; P316-W342 HydrophobicContact CG-CH2 3.77Å; P316-W342 HydrophobicContact CG-CZ2 3.92Å
317	N	89.7	Confident	76.4	Confident	37 Å²	37	66.3 Å²	66.3	20%	0.198	36%	0.357	C	S	.	.			trans	-82.8	135.6	170.5	-170.5	-45.4	0	0	0	109.2	N311 C319 D320	N311-N317 PolarHBondContact OD1-ND2 3.06Å; N317-C319 PolarHBondContact O-N 2.6Å; N317-C319 WeakPolarHBondContact OD1-CB 3.48Å; N317-C319 PolarHBondContact OD1-N 3.33Å; N317-D320 WeakPolarHBondContact CB-OD2 3.22Å; N317-D320 PolarHBondContact N-OD2 2.73Å; N317-D320 VanDerWaalsContact O-CB 3.26Å; N317-D320 WeakPolarHBondContact O-CB 3.38Å; N317-D320 PolarHBondContact O-N 3.21Å
318	I	91.5	Very high	78.7	Confident	13 Å²	13	61 Å²	61	7%	0.067	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30	177.8	-159.9	170.1	0	0	0	112	D320 G321 F323 W342 V344 V349 M506	I318-D320 VanDerWaalsContact C-N 3.27Å; I318-D320 PolarHBondContact O-N 3.03Å; I318-G321 PolarHBondContact O-N 3.37Å; I318-G321 VanDerWaalsContact O-N 3.15Å; I318-F323 HydrophobicContact CG1-CE1 3.98Å; I318-F323 HydrophobicContact CG1-CZ 3.87Å; I318-F323 WeakPolarHBondContact O-CE1 3.41Å; I318-F323 VanDerWaalsContact O-CZ 3.28Å; I318-F323 WeakPolarHBondContact O-CZ 3.33Å; I318-W342 HydrophobicContact CB-CD2 4.38Å; I318-W342 HydrophobicContact CB-CZ2 4.29Å; I318-W342 HydrophobicContact CD1-CB 4.08Å; I318-W342 HydrophobicContact CD1-CD2 4.01Å; I318-W342 HydrophobicContact CD1-CE3 4.48Å; I318-W342 HydrophobicContact CD1-CG 3.82Å; I318-W342 HydrophobicContact CG1-CD2 4.09Å; I318-W342 HydrophobicContact CG1-CE3 4.39Å; I318-W342 HydrophobicContact CG1-CG 4.39Å; I318-V344 HydrophobicContact CD1-CG2 3.82Å; I318-V349 HydrophobicContact CB-CG2 4.43Å; I318-V349 HydrophobicContact CD1-CG2 3.54Å; I318-V349 HydrophobicContact CG2-CG2 3.91Å; I318-M506 HydrophobicContact CD1-CB 4.2Å; I318-M506 HydrophobicContact CD1-CG 4.1Å; I318-M506 HydrophobicContact CD1-SD 3.66Å; I318-M506 HydrophobicContact CG1-CB 4.28Å; I318-M506 HydrophobicContact CG1-CG 4.12Å; I318-M506 HydrophobicContact CG1-SD 4.22Å; I318-M506 HydrophobicContact CG2-CB 4.43Å
319	C	92.8	Very high	81.2	Confident	51 Å²	51	51.9 Å²	51.9	35%	0.345	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-76	-8.9	177.4	-56.9	0	0	0	0	114.1	N317 G321 C508	N317-C319 PolarHBondContact O-N 2.6Å; N317-C319 WeakPolarHBondContact OD1-CB 3.48Å; N317-C319 PolarHBondContact OD1-N 3.33Å; C319-G321 PolarHBondContact O-N 2.87Å; C319-C508 WeakPolarHBondContact CA-SG 3.32Å; C319-C508 HydrophobicContact CB-CB 3.84Å; C319-C508 WeakPolarHBondContact CB-SG 3.41Å; C319-C508 WeakPolarHBondContact SG-CB 3.38Å; C319-C508 CovalentContact SG-SG 2.04Å; C319-C508 PolarHBondContact SG-SG 3.09Å
320	D	91.4	Very high	83.3	Confident	99 Å²	99	52.5 Å²	52.5	53%	0.529	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-66.9	-24.8	166.3	-58.3	-31.5	0	0	0	110.9	N317 I318	N317-D320 WeakPolarHBondContact CB-OD2 3.22Å; N317-D320 PolarHBondContact N-OD2 2.73Å; N317-D320 VanDerWaalsContact O-CB 3.26Å; N317-D320 WeakPolarHBondContact O-CB 3.38Å; N317-D320 PolarHBondContact O-N 3.21Å; I318-D320 VanDerWaalsContact C-N 3.27Å; I318-D320 PolarHBondContact O-N 3.03Å
321	G	92.1	Very high	84.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.268	C	S	.	.			trans	61.4	-147.6	-179.7	0	0	0	0	0	113.9	I318 C319 K337 N481	I318-G321 PolarHBondContact O-N 3.37Å; I318-G321 VanDerWaalsContact O-N 3.15Å; C319-G321 PolarHBondContact O-N 2.87Å; G321-K337 WeakPolarHBondContact O-CD 3.47Å; G321-K337 WeakPolarHBondContact O-CE 3.46Å; G321-K337 PolarHBondContact O-NZ 2.79Å; G321-N481 WeakPolarHBondContact CA-OD1 3.47Å
322	N	94.3	Very high	86.6	Confident	90 Å²	90	42.4 Å²	42.4	48%	0.481	25%	0.245	S	C	.	.			trans	51.6	58.3	-171.2	-173.9	36.4	0	0	0	111.8	R464 N481	N322-R464 PolarHBondContact OD1-NH1 3.18Å; N322-N481 PolarHBondContact N-OD1 3.43Å
323	F	96.4	Very high	88.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.			trans	-68.9	148.6	178.3	-48.2	-50.1	0	0	0	110.8	I318 V326 V335 F336 K337 W342 R464 Y478 L502 M506	I318-F323 HydrophobicContact CG1-CE1 3.98Å; I318-F323 HydrophobicContact CG1-CZ 3.87Å; I318-F323 WeakPolarHBondContact O-CE1 3.41Å; I318-F323 VanDerWaalsContact O-CZ 3.28Å; I318-F323 WeakPolarHBondContact O-CZ 3.33Å; F323-V326 HydrophobicContact CB-CG2 4.37Å; F323-V326 HydrophobicContact CD2-CG2 3.97Å; F323-V335 HydrophobicContact CB-CG1 4.18Å; F323-V335 HydrophobicContact CD1-CG1 3.45Å; F323-V335 VanDerWaalsContact CD1-CG1 3.45Å; F323-V335 HydrophobicContact CD2-CG1 3.69Å; F323-V335 HydrophobicContact CE1-CG1 3.65Å; F323-V335 HydrophobicContact CE2-CG1 3.9Å; F323-V335 HydrophobicContact CG-CG1 3.48Å; F323-V335 VanDerWaalsContact CG-CG1 3.48Å; F323-V335 HydrophobicContact CZ-CG1 3.88Å; F323-F336 WeakPolarHBondContact CB-O 3.38Å; F323-K337 HydrophobicContact CD1-CB 4.34Å; F323-K337 HydrophobicContact CD1-CD 4.48Å; F323-W342 HydrophobicContact CD1-CZ3 4.49Å; F323-W342 HydrophobicContact CE1-CZ3 4.48Å; F323-R464 WeakPolarHBondContact O-CD 3.37Å; F323-R464 PolarHBondContact O-NH1 3.41Å; F323-Y478 HydrophobicContact CB-CE1 3.93Å; F323-Y478 HydrophobicContact CD2-CE1 4.27Å; F323-Y478 AromaticContact CD2-CE2 3.94Å; F323-Y478 HydrophobicContact CD2-CE2 3.94Å; F323-Y478 AromaticContact CD2-CZ 3.58Å; F323-Y478 VanDerWaalsContact CD2-OH 3.28Å; F323-Y478 WeakPolarHBondContact CD2-OH 3.46Å; F323-Y478 PolarHBondContact N-OH 3.47Å; F323-L502 HydrophobicContact CE2-CD2 3.76Å; F323-L502 HydrophobicContact CZ-CD2 3.63Å; F323-M506 HydrophobicContact CD2-CE 4.25Å; F323-M506 HydrophobicContact CE2-CE 3.58Å; F323-M506 HydrophobicContact CE2-CG 4.12Å; F323-M506 HydrophobicContact CE2-SD 4.43Å; F323-M506 HydrophobicContact CZ-CE 4.18Å; F323-M506 HydrophobicContact CZ-CG 4.02Å; F323-M506 HydrophobicContact CZ-SD 4.48Å
324	D	96.3	Very high	90.1	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	21%	0.205	C	C	.	.	S	Bend	trans	-69.2	-46.1	171.5	-74.3	-35.1	0	0	0	109.9	F336 E338 R464	D324-F336 PolarHBondContact N-O 3.31Å; D324-E338 PolarHBondContact OD2-N 3.4Å; D324-R464 WeakPolarHBondContact O-CB 3.29Å; D324-R464 WeakPolarHBondContact O-CD 3.13Å
325	T	97.2	Very high	91.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	160.8	174.5	-170.5	0	0	0	0	112.2	F336 I368 R464	T325-F336 HydrophobicContact CG2-CB 3.89Å; T325-F336 HydrophobicContact CG2-CD2 3.76Å; T325-F336 HydrophobicContact CG2-CG 4.08Å; T325-F336 PolarHBondContact N-O 3.27Å; T325-F336 PolarHBondContact O-N 2.75Å; T325-I368 HydrophobicContact CG2-CD1 3.58Å; T325-I368 HydrophobicContact CG2-CG1 3.74Å; T325-R464 VanDerWaalsContact CA-O 3.24Å; T325-R464 WeakPolarHBondContact CA-O 3.31Å; T325-R464 WeakPolarHBondContact CB-O 3.25Å; T325-R464 PolarHBondContact OG1-O 3.45Å
326	V	97	Very high	92.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.9	169.6	-177.8	0	0	0	0	107.2	F323 M333 F334 V335 F467 Y478 W505	F323-V326 HydrophobicContact CB-CG2 4.37Å; F323-V326 HydrophobicContact CD2-CG2 3.97Å; V326-M333 HydrophobicContact CG1-CG 3.71Å; V326-M333 HydrophobicContact CG1-SD 3.88Å; V326-F334 WeakPolarHBondContact CA-O 3.37Å; V326-V335 HydrophobicContact CG1-CG2 4.36Å; V326-V335 HydrophobicContact CG2-CG1 4.35Å; V326-V335 HydrophobicContact CG2-CG2 4.49Å; V326-F467 HydrophobicContact CG1-CE1 4.03Å; V326-Y478 HydrophobicContact CB-CG 4.49Å; V326-Y478 HydrophobicContact CG2-CD1 4.05Å; V326-Y478 HydrophobicContact CG2-CD2 4.27Å; V326-Y478 HydrophobicContact CG2-CE1 4.35Å; V326-Y478 HydrophobicContact CG2-CG 4.02Å; V326-W505 HydrophobicContact CB-CZ3 4.32Å; V326-W505 HydrophobicContact CG1-CE3 4.34Å; V326-W505 HydrophobicContact CG1-CZ3 4.01Å; V326-W505 HydrophobicContact CG2-CZ3 4.36Å
327	A	95.4	Very high	92.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.9	-178.2	0	0	0	0	0	111	L329 F334 A371	A327-L329 HydrophobicContact CB-CG 4.44Å; A327-F334 PolarHBondContact N-O 3.28Å; A327-F334 PolarHBondContact O-N 2.98Å; A327-A371 HydrophobicContact CB-CB 3.97Å
328	M	92.1	Very high	92.7	Very high	53 Å²	53	34.8 Å²	34.8	26%	0.261	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.6	169.6	-168.8	67	60	0	0	107.5	E332 M333 F467	M328-E332 WeakPolarHBondContact CA-O 3.27Å; M328-E332 VanDerWaalsContact SD-O 3.35Å; M328-M333 HydrophobicContact CE-CB 4.22Å; M328-M333 HydrophobicContact CE-CE 4.41Å; M328-F467 HydrophobicContact CB-CB 3.62Å; M328-F467 HydrophobicContact CB-CD2 4.04Å; M328-F467 HydrophobicContact CB-CG 3.9Å; M328-F467 HydrophobicContact CE-CD2 3.79Å; M328-F467 HydrophobicContact CE-CE2 3.7Å; M328-F467 HydrophobicContact CE-CZ 4.37Å
329	L	89.1	Confident	92.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.3	179.8	-53.6	173.4	0	0	0	107.9	A327 G331 E332 F334 E373 F379 F381	A327-L329 HydrophobicContact CB-CG 4.44Å; L329-G331 PolarHBondContact O-N 3.19Å; L329-G331 VanDerWaalsContact O-N 3.09Å; L329-E332 PolarHBondContact N-O 3.28Å; L329-E332 PolarHBondContact O-N 3.45Å; L329-F334 HydrophobicContact CB-CD2 3.78Å; L329-F334 HydrophobicContact CB-CE2 3.82Å; L329-F334 HydrophobicContact CD1-CB 4.47Å; L329-F334 HydrophobicContact CD1-CD2 4Å; L329-F334 HydrophobicContact CD1-CE2 4.42Å; L329-F334 HydrophobicContact CD1-CG 4.18Å; L329-F334 HydrophobicContact CG-CD2 4.08Å; L329-E373 HydrophobicContact CD2-CB 4.11Å; L329-F379 HydrophobicContact CB-CD1 4.19Å; L329-F379 HydrophobicContact CB-CE1 3.96Å; L329-F379 HydrophobicContact CB-CZ 4.14Å; L329-F379 HydrophobicContact CD1-CD1 4.49Å; L329-F379 HydrophobicContact CD1-CD2 4.11Å; L329-F379 HydrophobicContact CD1-CE2 4.46Å; L329-F379 HydrophobicContact CD1-CG 4.14Å; L329-F379 HydrophobicContact CD2-CB 4.35Å; L329-F379 HydrophobicContact CD2-CD1 3.89Å; L329-F379 HydrophobicContact CD2-CE1 4.49Å; L329-F379 HydrophobicContact CD2-CG 4.11Å; L329-F379 HydrophobicContact CG-CD1 4.41Å; L329-F381 HydrophobicContact CD1-CZ 4.36Å
330	R	86.1	Confident	92.6	Very high	117 Å²	117	35 Å²	35	44%	0.442	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.4	-173.2	-59	-64.1	-161	-155.8	8.9	114.4	E332 E373 G377 F379 E392	R330-E332 VanDerWaalsContact C-N 3.32Å; R330-E373 WeakPolarHBondContact CD-OE1 3.38Å; R330-E373 IonicContact CZ-OE1 3.7Å; R330-E373 PolarHBondContact N-OE2 3.21Å; R330-E373 IonicContact NE-OE1 3.84Å; R330-E373 IonicContact NH1-OE1 3.98Å; R330-E373 PolarHBondContact NH1-OE1 3.47Å; R330-G377 PolarHBondContact NH1-O 3.24Å; R330-F379 HydrophobicContact CG-CE1 3.84Å; R330-F379 HydrophobicContact CG-CZ 3.65Å; R330-E392 IonicContact NH2-OE1 3.21Å
331	G	83	Confident	92.7	Very high	63 Å²	63	30.3 Å²	30.3	65%	0.649	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	12	-176.6	0	0	0	0	0	115.3	L329	L329-G331 PolarHBondContact O-N 3.19Å; L329-G331 VanDerWaalsContact O-N 3.09Å
332	E	85.9	Confident	92.7	Very high	38 Å²	38	30.5 Å²	30.5	18%	0.178	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.7	171.9	-63.8	-174.2	122	0	0	111.6	M328 L329 R330 F334 R343	M328-E332 WeakPolarHBondContact CA-O 3.27Å; M328-E332 VanDerWaalsContact SD-O 3.35Å; L329-E332 PolarHBondContact N-O 3.28Å; L329-E332 PolarHBondContact O-N 3.45Å; R330-E332 VanDerWaalsContact C-N 3.32Å; E332-F334 HydrophobicContact CB-CD2 4.46Å; E332-F334 HydrophobicContact CB-CE2 3.95Å; E332-F334 WeakPolarHBondContact O-CD2 3.34Å; E332-R343 IonicContact OE1-CZ 2.76Å; E332-R343 IonicContact OE1-NE 3.45Å; E332-R343 IonicContact OE1-NH2 3.15Å; E332-R343 PolarHBondContact OE1-NH2 2.83Å; E332-R343 IonicContact OE2-CZ 3.57Å; E332-R343 IonicContact OE2-NE 2.72Å; E332-R343 PolarHBondContact OE2-NE 2.82Å; E332-R343 IonicContact OE2-NH2 2.72Å; E332-R343 PolarHBondContact OE2-NH2 2.9Å
333	M	93.2	Very high	92.5	Very high	24 Å²	24	28.9 Å²	28.9	12%	0.118	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.7	178.5	-175	-179.1	-65.8	0	0	110.1	V326 M328 V335 R343 V344 F467 W505 M506	V326-M333 HydrophobicContact CG1-CG 3.71Å; V326-M333 HydrophobicContact CG1-SD 3.88Å; M328-M333 HydrophobicContact CE-CB 4.22Å; M328-M333 HydrophobicContact CE-CE 4.41Å; M333-V335 HydrophobicContact CG-CG2 4.15Å; M333-V335 HydrophobicContact SD-CG2 4.27Å; M333-R343 WeakPolarHBondContact O-CA 3.31Å; M333-V344 HydrophobicContact CB-CB 4.37Å; M333-V344 WeakPolarHBondContact CB-O 3.5Å; M333-V344 PolarHBondContact O-N 2.77Å; M333-V344 HydrophobicContact SD-CB 4.49Å; M333-F467 HydrophobicContact CE-CZ 3.89Å; M333-W505 HydrophobicContact CE-CB 4.21Å; M333-W505 HydrophobicContact CE-CD2 3.91Å; M333-W505 HydrophobicContact CE-CE3 4.18Å; M333-W505 HydrophobicContact CE-CG 3.95Å; M333-W505 HydrophobicContact SD-CB 4.09Å; M333-W505 HydrophobicContact SD-CD2 4.33Å; M333-W505 HydrophobicContact SD-CE3 4.17Å; M333-W505 HydrophobicContact SD-CG 4.35Å; M333-M506 HydrophobicContact SD-CE 4.07Å
334	F	94.5	Very high	92.2	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.039	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.8	172	-71.3	-100.8	0	0	0	109.7	V326 A327 L329 E332 F336 F341 W342 R343 W361	V326-F334 WeakPolarHBondContact CA-O 3.37Å; A327-F334 PolarHBondContact N-O 3.28Å; A327-F334 PolarHBondContact O-N 2.98Å; L329-F334 HydrophobicContact CB-CD2 3.78Å; L329-F334 HydrophobicContact CB-CE2 3.82Å; L329-F334 HydrophobicContact CD1-CB 4.47Å; L329-F334 HydrophobicContact CD1-CD2 4Å; L329-F334 HydrophobicContact CD1-CE2 4.42Å; L329-F334 HydrophobicContact CD1-CG 4.18Å; L329-F334 HydrophobicContact CG-CD2 4.08Å; E332-F334 HydrophobicContact CB-CD2 4.46Å; E332-F334 HydrophobicContact CB-CE2 3.95Å; E332-F334 WeakPolarHBondContact O-CD2 3.34Å; F334-F336 HydrophobicContact CB-CD2 4.37Å; F334-F336 HydrophobicContact CB-CE2 3.54Å; F334-F336 HydrophobicContact CB-CZ 3.99Å; F334-F341 AromaticContact CD1-CD2 3.88Å; F334-F341 HydrophobicContact CD1-CD2 3.88Å; F334-F341 AromaticContact CD1-CE2 3.96Å; F334-F341 HydrophobicContact CD1-CE2 3.96Å; F334-F341 HydrophobicContact CE1-CD2 4.37Å; F334-F341 AromaticContact CE1-CE2 3.98Å; F334-F341 HydrophobicContact CE1-CE2 3.98Å; F334-W342 WeakPolarHBondContact CA-O 3.43Å; F334-R343 HydrophobicContact CD1-CG 3.7Å; F334-R343 HydrophobicContact CE1-CG 3.35Å; F334-R343 HydrophobicContact CE2-CG 4.27Å; F334-R343 HydrophobicContact CG-CG 4.34Å; F334-R343 HydrophobicContact CZ-CG 3.67Å; F334-W361 AromaticContact CD1-CH2 3.62Å; F334-W361 HydrophobicContact CD1-CH2 3.62Å; F334-W361 HydrophobicContact CD1-CZ2 4.37Å; F334-W361 AromaticContact CE1-CH2 3.68Å; F334-W361 HydrophobicContact CE1-CH2 3.68Å; F334-W361 HydrophobicContact CE1-CZ2 4.12Å
335	V	97	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.5	-178.7	-177.9	0	0	0	0	107.6	F323 V326 M333 F341 W342 V344 M506	F323-V335 HydrophobicContact CB-CG1 4.18Å; F323-V335 HydrophobicContact CD1-CG1 3.45Å; F323-V335 VanDerWaalsContact CD1-CG1 3.45Å; F323-V335 HydrophobicContact CD2-CG1 3.69Å; F323-V335 HydrophobicContact CE1-CG1 3.65Å; F323-V335 HydrophobicContact CE2-CG1 3.9Å; F323-V335 HydrophobicContact CG-CG1 3.48Å; F323-V335 VanDerWaalsContact CG-CG1 3.48Å; F323-V335 HydrophobicContact CZ-CG1 3.88Å; V326-V335 HydrophobicContact CG1-CG2 4.36Å; V326-V335 HydrophobicContact CG2-CG1 4.35Å; V326-V335 HydrophobicContact CG2-CG2 4.49Å; M333-V335 HydrophobicContact CG-CG2 4.15Å; M333-V335 HydrophobicContact SD-CG2 4.27Å; V335-F341 CarbonylContact O-C 3.46Å; V335-F341 WeakPolarHBondContact O-CA 3.49Å; V335-F341 VanDerWaalsContact O-CB 3.31Å; V335-F341 WeakPolarHBondContact O-CB 3.26Å; V335-W342 HydrophobicContact CB-CB 4.49Å; V335-W342 HydrophobicContact CB-CE3 4.1Å; V335-W342 HydrophobicContact CG1-CE3 3.95Å; V335-W342 HydrophobicContact CG1-CZ3 4.34Å; V335-W342 PolarHBondContact N-O 3.25Å; V335-W342 PolarHBondContact O-N 2.84Å; V335-V344 HydrophobicContact CG2-CG2 3.85Å; V335-M506 HydrophobicContact CB-CE 4.48Å; V335-M506 HydrophobicContact CG1-CE 4.18Å; V335-M506 HydrophobicContact CG2-CE 3.45Å; V335-M506 VanDerWaalsContact CG2-CE 3.45Å; V335-M506 HydrophobicContact CG2-SD 3.88Å
336	F	96.6	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.1	-176	-63.8	-96.7	0	0	0	111	F323 D324 T325 F334 F341 I357 W361 I368 F381	F323-F336 WeakPolarHBondContact CB-O 3.38Å; D324-F336 PolarHBondContact N-O 3.31Å; T325-F336 HydrophobicContact CG2-CB 3.89Å; T325-F336 HydrophobicContact CG2-CD2 3.76Å; T325-F336 HydrophobicContact CG2-CG 4.08Å; T325-F336 PolarHBondContact N-O 3.27Å; T325-F336 PolarHBondContact O-N 2.75Å; F334-F336 HydrophobicContact CB-CD2 4.37Å; F334-F336 HydrophobicContact CB-CE2 3.54Å; F334-F336 HydrophobicContact CB-CZ 3.99Å; F336-F341 HydrophobicContact CD1-CB 3.69Å; F336-F341 HydrophobicContact CE1-CB 3.93Å; F336-F341 HydrophobicContact CE1-CG 4.35Å; F336-F341 HydrophobicContact CG-CB 4.25Å; F336-I357 HydrophobicContact CD1-CD1 3.93Å; F336-I357 HydrophobicContact CD1-CG1 4.18Å; F336-W361 HydrophobicContact CE1-CE3 4.26Å; F336-W361 HydrophobicContact CE1-CH2 4.02Å; F336-W361 AromaticContact CE1-CZ3 3.55Å; F336-W361 HydrophobicContact CE1-CZ3 3.55Å; F336-W361 AromaticContact CZ-CH2 3.78Å; F336-W361 HydrophobicContact CZ-CH2 3.78Å; F336-W361 AromaticContact CZ-CZ3 3.82Å; F336-W361 HydrophobicContact CZ-CZ3 3.82Å; F336-I368 HydrophobicContact CB-CD1 4.23Å; F336-I368 HydrophobicContact CB-CG1 4.19Å; F336-I368 HydrophobicContact CD1-CD1 3.65Å; F336-I368 HydrophobicContact CD1-CG1 4.16Å; F336-I368 HydrophobicContact CD2-CD1 3.86Å; F336-I368 HydrophobicContact CE1-CD1 3.87Å; F336-I368 HydrophobicContact CE2-CD1 4.05Å; F336-I368 HydrophobicContact CG-CD1 3.65Å; F336-I368 HydrophobicContact CG-CG1 4.12Å; F336-I368 HydrophobicContact CZ-CD1 4.07Å; F336-F381 HydrophobicContact CE1-CE1 4.28Å; F336-F381 AromaticContact CZ-CE1 3.87Å; F336-F381 HydrophobicContact CZ-CE1 3.87Å
337	K	94.6	Very high	90.4	Very high	20 Å²	20	44.6 Å²	44.6	9%	0.087	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	117.5	175.3	-178.8	178.8	176	172.2	0	109.9	P316 G321 F323 R339 W340 W342	P316-K337 HydrophobicContact CB-CD 4.44Å; P316-K337 HydrophobicContact CG-CD 4.4Å; G321-K337 WeakPolarHBondContact O-CD 3.47Å; G321-K337 WeakPolarHBondContact O-CE 3.46Å; G321-K337 PolarHBondContact O-NZ 2.79Å; F323-K337 HydrophobicContact CD1-CB 4.34Å; F323-K337 HydrophobicContact CD1-CD 4.48Å; K337-R339 PolarHBondContact O-N 3.06Å; K337-W340 PolarHBondContact N-O 2.89Å; K337-W340 WeakPolarHBondContact O-CB 3.29Å; K337-W340 PolarHBondContact O-N 2.65Å; K337-W340 VanDerWaalsContact O-O 3.11Å; K337-W342 HydrophobicContact CB-CH2 3.94Å; K337-W342 HydrophobicContact CB-CZ3 3.7Å; K337-W342 HydrophobicContact CD-CH2 4.22Å
338	E	91	Very high	89.8	Confident	107 Å²	107	51.4 Å²	51.4	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-133	-176	-58.4	159.4	-154.2	0	0	109.1	D324 W340 I357 A366 S367	D324-E338 PolarHBondContact OD2-N 3.4Å; E338-W340 PolarHBondContact O-N 2.96Å; E338-I357 WeakPolarHBondContact O-CD1 3.4Å; E338-A366 CarbonylContact C-O 3.52Å; E338-S367 WeakPolarHBondContact O-CA 3.36Å
339	R	88.9	Confident	89.6	Confident	56 Å²	56	51.3 Å²	51.3	21%	0.211	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	1.1	177.1	61.7	163.1	44.1	-166	-11.9	114.7	S254 K337 P356 I357 A366	S254-R339 PolarHBondContact O-NH1 2.89Å; K337-R339 PolarHBondContact O-N 3.06Å; R339-P356 CarbonylContact O-C 3.58Å; R339-P356 VanDerWaalsContact O-CA 3.3Å; R339-P356 WeakPolarHBondContact O-CA 3.49Å; R339-I357 PolarHBondContact O-N 3.26Å; R339-A366 WeakPolarHBondContact CA-O 3.36Å; R339-A366 HydrophobicContact CB-CB 4.01Å; R339-A366 PolarHBondContact N-O 2.82Å; R339-A366 VanDerWaalsContact N-O 3.09Å
340	W	91.6	Very high	89.2	Confident	13 Å²	13	54.2 Å²	54.2	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.8	-172.2	-58.2	95.9	0	0	0	111.9	P253 S254 P316 K337 E338 W342 P354 M355 P356	P253-W340 HydrophobicContact CG-CZ3 4.44Å; S254-W340 VanDerWaalsContact CB-CH2 3.44Å; S254-W340 VanDerWaalsContact CB-CZ2 3.41Å; S254-W340 WeakPolarHBondContact OG-CH2 3.5Å; S254-W340 WeakPolarHBondContact OG-CZ2 3.23Å; P316-W340 HydrophobicContact CG-CB 4.31Å; P316-W340 HydrophobicContact CG-CG 4.08Å; K337-W340 PolarHBondContact N-O 2.89Å; K337-W340 WeakPolarHBondContact O-CB 3.29Å; K337-W340 PolarHBondContact O-N 2.65Å; K337-W340 VanDerWaalsContact O-O 3.11Å; E338-W340 PolarHBondContact O-N 2.96Å; W340-W342 HydrophobicContact CB-CH2 4.48Å; W340-P354 HydrophobicContact CB-CB 4.2Å; W340-P354 HydrophobicContact CD2-CB 4.19Å; W340-P354 HydrophobicContact CE3-CB 3.67Å; W340-P354 HydrophobicContact CE3-CG 4.07Å; W340-P354 HydrophobicContact CG-CB 4.46Å; W340-P354 HydrophobicContact CZ3-CB 4.31Å; W340-P354 HydrophobicContact CZ3-CG 4.3Å; W340-M355 WeakPolarHBondContact CA-O 3.1Å; W340-P356 HydrophobicContact CE3-CG 4.24Å; W340-P356 HydrophobicContact CZ3-CG 3.94Å
341	F	93.9	Very high	88.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	163.7	165.8	77.1	-78.6	0	0	0	112	F334 V335 F336 Y353 P354 M355 I357 F360 W361	F334-F341 AromaticContact CD1-CD2 3.88Å; F334-F341 HydrophobicContact CD1-CD2 3.88Å; F334-F341 AromaticContact CD1-CE2 3.96Å; F334-F341 HydrophobicContact CD1-CE2 3.96Å; F334-F341 HydrophobicContact CE1-CD2 4.37Å; F334-F341 AromaticContact CE1-CE2 3.98Å; F334-F341 HydrophobicContact CE1-CE2 3.98Å; V335-F341 CarbonylContact O-C 3.46Å; V335-F341 WeakPolarHBondContact O-CA 3.49Å; V335-F341 VanDerWaalsContact O-CB 3.31Å; V335-F341 WeakPolarHBondContact O-CB 3.26Å; F336-F341 HydrophobicContact CD1-CB 3.69Å; F336-F341 HydrophobicContact CE1-CB 3.93Å; F336-F341 HydrophobicContact CE1-CG 4.35Å; F336-F341 HydrophobicContact CG-CB 4.25Å; F341-Y353 AromaticContact CD2-CE1 3.94Å; F341-Y353 HydrophobicContact CD2-CE1 3.94Å; F341-Y353 HydrophobicContact CE1-CE1 4.47Å; F341-Y353 HydrophobicContact CE2-CD1 4.41Å; F341-Y353 AromaticContact CE2-CE1 3.46Å; F341-Y353 HydrophobicContact CE2-CE1 3.46Å; F341-Y353 VanDerWaalsContact CE2-CE1 3.46Å; F341-Y353 AromaticContact CZ-CE1 3.77Å; F341-Y353 HydrophobicContact CZ-CE1 3.77Å; F341-Y353 WeakPolarHBondContact O-CD1 3.42Å; F341-P354 WeakPolarHBondContact O-CA 3.24Å; F341-M355 HydrophobicContact CD1-CB 4.31Å; F341-M355 WeakPolarHBondContact CD1-O 3.37Å; F341-M355 HydrophobicContact CE1-CB 3.84Å; F341-M355 HydrophobicContact CE1-CG 3.94Å; F341-M355 HydrophobicContact CE1-SD 4.17Å; F341-M355 HydrophobicContact CZ-CB 4.2Å; F341-M355 HydrophobicContact CZ-CG 4.32Å; F341-M355 HydrophobicContact CZ-SD 4Å; F341-M355 PolarHBondContact N-O 2.87Å; F341-M355 PolarHBondContact O-N 3.14Å; F341-I357 HydrophobicContact CB-CG1 4.39Å; F341-I357 HydrophobicContact CD1-CG1 4.02Å; F341-F360 HydrophobicContact CE1-CB 3.81Å; F341-F360 HydrophobicContact CE1-CG 4.49Å; F341-F360 HydrophobicContact CZ-CB 3.63Å; F341-F360 HydrophobicContact CZ-CD1 4.44Å; F341-F360 HydrophobicContact CZ-CD2 4.15Å; F341-F360 AromaticContact CZ-CG 3.83Å; F341-F360 HydrophobicContact CZ-CG 3.83Å; F341-W361 AromaticContact CD1-CZ3 3.95Å; F341-W361 HydrophobicContact CD1-CZ3 3.95Å; F341-W361 HydrophobicContact CD2-CH2 4.14Å; F341-W361 AromaticContact CD2-CZ3 3.84Å; F341-W361 HydrophobicContact CD2-CZ3 3.84Å; F341-W361 HydrophobicContact CE1-CE3 4.28Å; F341-W361 AromaticContact CE1-CZ3 3.82Å; F341-W361 HydrophobicContact CE1-CZ3 3.82Å; F341-W361 AromaticContact CE2-CH2 3.88Å; F341-W361 HydrophobicContact CE2-CH2 3.88Å; F341-W361 AromaticContact CE2-CZ3 3.69Å; F341-W361 HydrophobicContact CE2-CZ3 3.69Å; F341-W361 AromaticContact CG-CZ3 3.95Å; F341-W361 HydrophobicContact CG-CZ3 3.95Å; F341-W361 HydrophobicContact CZ-CE3 4.36Å; F341-W361 HydrophobicContact CZ-CH2 4.21Å; F341-W361 AromaticContact CZ-CZ3 3.68Å; F341-W361 HydrophobicContact CZ-CZ3 3.68Å
342	W	93.6	Very high	87.9	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.8	170.8	-56.5	-101.4	0	0	0	109.8	P316 I318 F323 F334 V335 K337 W340 V344 V349 P354	P316-W342 HydrophobicContact CG-CH2 3.77Å; P316-W342 HydrophobicContact CG-CZ2 3.92Å; I318-W342 HydrophobicContact CB-CD2 4.38Å; I318-W342 HydrophobicContact CB-CZ2 4.29Å; I318-W342 HydrophobicContact CD1-CB 4.08Å; I318-W342 HydrophobicContact CD1-CD2 4.01Å; I318-W342 HydrophobicContact CD1-CE3 4.48Å; I318-W342 HydrophobicContact CD1-CG 3.82Å; I318-W342 HydrophobicContact CG1-CD2 4.09Å; I318-W342 HydrophobicContact CG1-CE3 4.39Å; I318-W342 HydrophobicContact CG1-CG 4.39Å; F323-W342 HydrophobicContact CD1-CZ3 4.49Å; F323-W342 HydrophobicContact CE1-CZ3 4.48Å; F334-W342 WeakPolarHBondContact CA-O 3.43Å; V335-W342 HydrophobicContact CB-CB 4.49Å; V335-W342 HydrophobicContact CB-CE3 4.1Å; V335-W342 HydrophobicContact CG1-CE3 3.95Å; V335-W342 HydrophobicContact CG1-CZ3 4.34Å; V335-W342 PolarHBondContact N-O 3.25Å; V335-W342 PolarHBondContact O-N 2.84Å; K337-W342 HydrophobicContact CB-CH2 3.94Å; K337-W342 HydrophobicContact CB-CZ3 3.7Å; K337-W342 HydrophobicContact CD-CH2 4.22Å; W340-W342 HydrophobicContact CB-CH2 4.48Å; W342-V344 HydrophobicContact CB-CG2 4.19Å; W342-V349 HydrophobicContact CB-CG1 4.48Å; W342-V349 HydrophobicContact CG-CG1 4.43Å; W342-P354 HydrophobicContact CD2-CB 4.38Å; W342-P354 HydrophobicContact CZ2-CB 3.91Å; W342-P354 HydrophobicContact CZ2-CG 4.49Å
343	R	89.2	Confident	87.7	Confident	56 Å²	56	53.7 Å²	53.7	21%	0.211	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.7	156.2	-75.2	166.6	70.2	-161	-0.9	109.2	E332 M333 F334 M350 Y353	E332-R343 IonicContact OE1-CZ 2.76Å; E332-R343 IonicContact OE1-NE 3.45Å; E332-R343 IonicContact OE1-NH2 3.15Å; E332-R343 PolarHBondContact OE1-NH2 2.83Å; E332-R343 IonicContact OE2-CZ 3.57Å; E332-R343 IonicContact OE2-NE 2.72Å; E332-R343 PolarHBondContact OE2-NE 2.82Å; E332-R343 IonicContact OE2-NH2 2.72Å; E332-R343 PolarHBondContact OE2-NH2 2.9Å; M333-R343 WeakPolarHBondContact O-CA 3.31Å; F334-R343 HydrophobicContact CD1-CG 3.7Å; F334-R343 HydrophobicContact CE1-CG 3.35Å; F334-R343 HydrophobicContact CE2-CG 4.27Å; F334-R343 HydrophobicContact CG-CG 4.34Å; F334-R343 HydrophobicContact CZ-CG 3.67Å; R343-M350 HydrophobicContact CB-CB 4.37Å; R343-M350 HydrophobicContact CB-CG 4.17Å; R343-M350 HydrophobicContact CB-SD 3.65Å; R343-M350 PolarHBondContact O-N 3Å; R343-Y353 HydrophobicContact CB-CD2 4.32Å; R343-Y353 HydrophobicContact CB-CE2 3.87Å; R343-Y353 VanDerWaalsContact CD-OH 3.23Å; R343-Y353 WeakPolarHBondContact CD-OH 3.32Å; R343-Y353 HydrophobicContact CG-CE2 4.23Å
344	V	89.8	Confident	87.4	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.8	-178.4	-176.5	0	0	0	0	109	I318 M333 V335 W342 Q348 V349 W505 M506	I318-V344 HydrophobicContact CD1-CG2 3.82Å; M333-V344 HydrophobicContact CB-CB 4.37Å; M333-V344 WeakPolarHBondContact CB-O 3.5Å; M333-V344 PolarHBondContact O-N 2.77Å; M333-V344 HydrophobicContact SD-CB 4.49Å; V335-V344 HydrophobicContact CG2-CG2 3.85Å; W342-V344 HydrophobicContact CB-CG2 4.19Å; V344-Q348 WeakPolarHBondContact CA-O 3.48Å; V344-V349 HydrophobicContact CG2-CG2 4.4Å; V344-W505 WeakPolarHBondContact CG1-O 3.37Å; V344-M506 HydrophobicContact CG1-SD 4.27Å; V344-M506 HydrophobicContact CG2-SD 3.97Å
345	R	84.9	Confident	86.9	Confident	152 Å²	152	54.4 Å²	54.4	57%	0.574	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	136.2	180	-172.1	174.2	-179.4	178.1	0.9	109.5	N347 Q348	R345-N347 PolarHBondContact O-N 3.12Å; R345-Q348 PolarHBondContact N-O 2.9Å; R345-Q348 PolarHBondContact O-N 3.04Å; R345-Q348 VanDerWaalsContact O-O 3.09Å
346	N	83.7	Confident	86.3	Confident	138 Å²	138	55 Å²	55	74%	0.738	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	41.9	178.8	-56.2	-12.6	0	0	0	113.4	Q348	N346-Q348 PolarHBondContact O-N 3.31Å
347	N	85.2	Confident	85.9	Confident	79 Å²	79	55 Å²	55	42%	0.422	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	25.1	-176	-61.1	5.7	0	0	0	115.4	R345 D504 W505 G507	R345-N347 PolarHBondContact O-N 3.12Å; N347-D504 VanDerWaalsContact CG-O 3.31Å; N347-D504 PolarHBondContact ND2-O 2.85Å; N347-D504 PolarHBondContact OD1-O 2.95Å; N347-W505 WeakPolarHBondContact CA-O 3.32Å; N347-G507 WeakPolarHBondContact O-CA 3.23Å
348	Q	83	Confident	85.5	Confident	144 Å²	144	54.6 Å²	54.6	67%	0.673	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	138	175.7	-65.5	-176.7	-27.3	0	0	110.6	V344 R345 N346	V344-Q348 WeakPolarHBondContact CA-O 3.48Å; R345-Q348 PolarHBondContact N-O 2.9Å; R345-Q348 PolarHBondContact O-N 3.04Å; R345-Q348 VanDerWaalsContact O-O 3.09Å; N346-Q348 PolarHBondContact O-N 3.31Å
349	V	87.1	Confident	85	Confident	50 Å²	50	52.6 Å²	52.6	30%	0.303	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.2	168.3	177.3	0	0	0	0	108.5	I318 W342 V344	I318-V349 HydrophobicContact CB-CG2 4.43Å; I318-V349 HydrophobicContact CD1-CG2 3.54Å; I318-V349 HydrophobicContact CG2-CG2 3.91Å; W342-V349 HydrophobicContact CB-CG1 4.48Å; W342-V349 HydrophobicContact CG-CG1 4.43Å; V344-V349 HydrophobicContact CG2-CG2 4.4Å
350	M	79.8	Confident	84.7	Confident	61 Å²	61	53.2 Å²	53.2	30%	0.3	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-68.6	150.7	175.2	-66.6	-175	66.7	0	0	111.4	R343 Y353	R343-M350 HydrophobicContact CB-CB 4.37Å; R343-M350 HydrophobicContact CB-CG 4.17Å; R343-M350 HydrophobicContact CB-SD 3.65Å; R343-M350 PolarHBondContact O-N 3Å; M350-Y353 HydrophobicContact CB-CD2 3.89Å; M350-Y353 HydrophobicContact CB-CE2 4.14Å; M350-Y353 WeakPolarHBondContact O-CD2 3.13Å
351	D	72.9	Confident	84.6	Confident	121 Å²	121	52.6 Å²	52.6	65%	0.647	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	146.8	174.1	-77.2	-29.7	0	0	0	111.7	Q75	Q75-D351 PolarHBondContact NE2-OD2 3.38Å; Q75-D351 VanDerWaalsContact NE2-OD2 3.16Å
352	G	69.8	Low	84.3	Confident	52 Å²	52	57.1 Å²	57.1	54%	0.536	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	4.9	-179.1	0	0	0	0	0	115.3
353	Y	80.9	Confident	84.1	Confident	34 Å²	34	57.4 Å²	57.4	13%	0.133	29%	0.291	C	S	.	.			trans	-110.3	150.8	176.5	-69	-77.5	0	0	0	112.6	F341 R343 M350 M355	F341-Y353 AromaticContact CD2-CE1 3.94Å; F341-Y353 HydrophobicContact CD2-CE1 3.94Å; F341-Y353 HydrophobicContact CE1-CE1 4.47Å; F341-Y353 HydrophobicContact CE2-CD1 4.41Å; F341-Y353 AromaticContact CE2-CE1 3.46Å; F341-Y353 HydrophobicContact CE2-CE1 3.46Å; F341-Y353 VanDerWaalsContact CE2-CE1 3.46Å; F341-Y353 AromaticContact CZ-CE1 3.77Å; F341-Y353 HydrophobicContact CZ-CE1 3.77Å; F341-Y353 WeakPolarHBondContact O-CD1 3.42Å; R343-Y353 HydrophobicContact CB-CD2 4.32Å; R343-Y353 HydrophobicContact CB-CE2 3.87Å; R343-Y353 VanDerWaalsContact CD-OH 3.23Å; R343-Y353 WeakPolarHBondContact CD-OH 3.32Å; R343-Y353 HydrophobicContact CG-CE2 4.23Å; M350-Y353 HydrophobicContact CB-CD2 3.89Å; M350-Y353 HydrophobicContact CB-CE2 4.14Å; M350-Y353 WeakPolarHBondContact O-CD2 3.13Å; Y353-M355 HydrophobicContact CD1-CB 3.62Å; Y353-M355 HydrophobicContact CE1-CB 3.59Å; Y353-M355 HydrophobicContact CE1-CE 4.32Å; Y353-M355 HydrophobicContact CE1-SD 4.31Å
354	P	87.6	Confident	84.3	Confident	13 Å²	13	54.8 Å²	54.8	8%	0.084	28%	0.281	C	S	.	.	S	Bend	cis	-68.3	149.8	4.7	28.6	-34.5	0	0	0	114	P312 Y314 W340 F341 W342	P312-P354 HydrophobicContact CB-CG 4.23Å; P312-P354 HydrophobicContact CG-CG 4.34Å; Y314-P354 WeakPolarHBondContact O-CG 3.3Å; W340-P354 HydrophobicContact CB-CB 4.2Å; W340-P354 HydrophobicContact CD2-CB 4.19Å; W340-P354 HydrophobicContact CE3-CB 3.67Å; W340-P354 HydrophobicContact CE3-CG 4.07Å; W340-P354 HydrophobicContact CG-CB 4.46Å; W340-P354 HydrophobicContact CZ3-CB 4.31Å; W340-P354 HydrophobicContact CZ3-CG 4.3Å; F341-P354 WeakPolarHBondContact O-CA 3.24Å; W342-P354 HydrophobicContact CD2-CB 4.38Å; W342-P354 HydrophobicContact CZ2-CB 3.91Å; W342-P354 HydrophobicContact CZ2-CG 4.49Å
355	M	83.1	Confident	84.3	Confident	36 Å²	36	55.1 Å²	55.1	18%	0.177	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.2	176.5	-175.2	176.4	-70.7	0	0	110.2	W340 F341 Y353 Q359 F360	W340-M355 WeakPolarHBondContact CA-O 3.1Å; F341-M355 HydrophobicContact CD1-CB 4.31Å; F341-M355 WeakPolarHBondContact CD1-O 3.37Å; F341-M355 HydrophobicContact CE1-CB 3.84Å; F341-M355 HydrophobicContact CE1-CG 3.94Å; F341-M355 HydrophobicContact CE1-SD 4.17Å; F341-M355 HydrophobicContact CZ-CB 4.2Å; F341-M355 HydrophobicContact CZ-CG 4.32Å; F341-M355 HydrophobicContact CZ-SD 4Å; F341-M355 PolarHBondContact N-O 2.87Å; F341-M355 PolarHBondContact O-N 3.14Å; Y353-M355 HydrophobicContact CD1-CB 3.62Å; Y353-M355 HydrophobicContact CE1-CB 3.59Å; Y353-M355 HydrophobicContact CE1-CE 4.32Å; Y353-M355 HydrophobicContact CE1-SD 4.31Å; M355-Q359 HydrophobicContact CG-CB 4.41Å; M355-F360 HydrophobicContact SD-CB 4.25Å; M355-F360 HydrophobicContact SD-CD2 4.28Å
356	P	85.1	Confident	84.4	Confident	11 Å²	11	49.9 Å²	49.9	7%	0.071	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.5	171.5	-21.9	33.4	0	0	0	112.3	R339 W340 G358 Q359	R339-P356 CarbonylContact O-C 3.58Å; R339-P356 VanDerWaalsContact O-CA 3.3Å; R339-P356 WeakPolarHBondContact O-CA 3.49Å; W340-P356 HydrophobicContact CE3-CG 4.24Å; W340-P356 HydrophobicContact CZ3-CG 3.94Å; P356-G358 PolarHBondContact O-N 2.91Å; P356-Q359 HydrophobicContact CB-CB 4.2Å; P356-Q359 WeakPolarHBondContact O-CB 3.32Å; P356-Q359 PolarHBondContact O-N 3.19Å
357	I	88.9	Confident	84.9	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-50.2	-179.8	-69.6	170.4	0	0	0	111.2	F336 E338 R339 F341 Q359 F360 W361 L364	F336-I357 HydrophobicContact CD1-CD1 3.93Å; F336-I357 HydrophobicContact CD1-CG1 4.18Å; E338-I357 WeakPolarHBondContact O-CD1 3.4Å; R339-I357 PolarHBondContact O-N 3.26Å; F341-I357 HydrophobicContact CB-CG1 4.39Å; F341-I357 HydrophobicContact CD1-CG1 4.02Å; I357-Q359 PolarHBondContact O-N 3.36Å; I357-F360 PolarHBondContact O-N 3.07Å; I357-W361 HydrophobicContact CG2-CE3 4.29Å; I357-W361 PolarHBondContact O-N 3.17Å; I357-L364 HydrophobicContact CG2-CB 4.18Å; I357-L364 HydrophobicContact CG2-CD2 3.7Å; I357-L364 HydrophobicContact CG2-CG 4.09Å
358	G	84.6	Confident	85.4	Confident	12 Å²	12	41 Å²	41	12%	0.124	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-16.9	-178.9	0	0	0	0	0	115	P356 F360	P356-G358 PolarHBondContact O-N 2.91Å; G358-F360 VanDerWaalsContact C-N 3.35Å
359	Q	81.7	Confident	86	Confident	64 Å²	64	36 Å²	36	30%	0.299	21%	0.205	S	C	.	.	H	α-helix	trans	-71.5	-31.6	172.6	-172.3	-175.3	-15.8	0	0	111.7	M355 P356 I357	M355-Q359 HydrophobicContact CG-CB 4.41Å; P356-Q359 HydrophobicContact CB-CB 4.2Å; P356-Q359 WeakPolarHBondContact O-CB 3.32Å; P356-Q359 PolarHBondContact O-N 3.19Å; I357-Q359 PolarHBondContact O-N 3.36Å
360	F	82.7	Confident	86.5	Confident	70 Å²	70	33.6 Å²	33.6	31%	0.307	19%	0.191	S	C	.	.	H	α-helix	trans	-101.7	-45.7	-178.5	-166.6	-81.5	0	0	0	112.3	F341 M355 I357 G358 A393	F341-F360 HydrophobicContact CE1-CB 3.81Å; F341-F360 HydrophobicContact CE1-CG 4.49Å; F341-F360 HydrophobicContact CZ-CB 3.63Å; F341-F360 HydrophobicContact CZ-CD1 4.44Å; F341-F360 HydrophobicContact CZ-CD2 4.15Å; F341-F360 AromaticContact CZ-CG 3.83Å; F341-F360 HydrophobicContact CZ-CG 3.83Å; M355-F360 HydrophobicContact SD-CB 4.25Å; M355-F360 HydrophobicContact SD-CD2 4.28Å; I357-F360 PolarHBondContact O-N 3.07Å; G358-F360 VanDerWaalsContact C-N 3.35Å; F360-A393 HydrophobicContact CD1-CB 4.27Å; F360-A393 HydrophobicContact CE1-CB 3.91Å; F360-A393 HydrophobicContact CZ-CB 4.4Å
361	W	88.5	Confident	87.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-111.8	87.3	177.2	-66.3	-70.1	0	0	0	110.2	F334 F336 F341 I357 L364 F381 F390 E392	F334-W361 AromaticContact CD1-CH2 3.62Å; F334-W361 HydrophobicContact CD1-CH2 3.62Å; F334-W361 HydrophobicContact CD1-CZ2 4.37Å; F334-W361 AromaticContact CE1-CH2 3.68Å; F334-W361 HydrophobicContact CE1-CH2 3.68Å; F334-W361 HydrophobicContact CE1-CZ2 4.12Å; F336-W361 HydrophobicContact CE1-CE3 4.26Å; F336-W361 HydrophobicContact CE1-CH2 4.02Å; F336-W361 AromaticContact CE1-CZ3 3.55Å; F336-W361 HydrophobicContact CE1-CZ3 3.55Å; F336-W361 AromaticContact CZ-CH2 3.78Å; F336-W361 HydrophobicContact CZ-CH2 3.78Å; F336-W361 AromaticContact CZ-CZ3 3.82Å; F336-W361 HydrophobicContact CZ-CZ3 3.82Å; F341-W361 AromaticContact CD1-CZ3 3.95Å; F341-W361 HydrophobicContact CD1-CZ3 3.95Å; F341-W361 HydrophobicContact CD2-CH2 4.14Å; F341-W361 AromaticContact CD2-CZ3 3.84Å; F341-W361 HydrophobicContact CD2-CZ3 3.84Å; F341-W361 HydrophobicContact CE1-CE3 4.28Å; F341-W361 AromaticContact CE1-CZ3 3.82Å; F341-W361 HydrophobicContact CE1-CZ3 3.82Å; F341-W361 AromaticContact CE2-CH2 3.88Å; F341-W361 HydrophobicContact CE2-CH2 3.88Å; F341-W361 AromaticContact CE2-CZ3 3.69Å; F341-W361 HydrophobicContact CE2-CZ3 3.69Å; F341-W361 AromaticContact CG-CZ3 3.95Å; F341-W361 HydrophobicContact CG-CZ3 3.95Å; F341-W361 HydrophobicContact CZ-CE3 4.36Å; F341-W361 HydrophobicContact CZ-CH2 4.21Å; F341-W361 AromaticContact CZ-CZ3 3.68Å; F341-W361 HydrophobicContact CZ-CZ3 3.68Å; I357-W361 HydrophobicContact CG2-CE3 4.29Å; I357-W361 PolarHBondContact O-N 3.17Å; W361-L364 HydrophobicContact CB-CB 3.72Å; W361-L364 HydrophobicContact CB-CD2 3.87Å; W361-L364 HydrophobicContact CB-CG 4.44Å; W361-L364 HydrophobicContact CD2-CD2 4.26Å; W361-L364 HydrophobicContact CE3-CD2 4.3Å; W361-L364 HydrophobicContact CG-CD2 4.12Å; W361-L364 WeakPolarHBondContact O-CB 3.45Å; W361-L364 PolarHBondContact O-N 3.2Å; W361-F381 HydrophobicContact CD2-CZ 4.09Å; W361-F381 AromaticContact CE2-CZ 3.69Å; W361-F381 HydrophobicContact CG-CZ 4.48Å; W361-F381 AromaticContact CZ2-CZ 3.93Å; W361-F381 HydrophobicContact CZ2-CZ 3.93Å; W361-F381 AromaticContact NE1-CZ 3.88Å; W361-F390 HydrophobicContact CB-CD1 4.41Å; W361-F390 HydrophobicContact CB-CE1 3.79Å; W361-F390 HydrophobicContact CB-CZ 3.86Å; W361-F390 AromaticContact CD1-CD1 3.51Å; W361-F390 AromaticContact CD1-CE1 3.78Å; W361-F390 AromaticContact CD1-CG 3.87Å; W361-F390 HydrophobicContact CG-CD1 4.33Å; W361-F390 HydrophobicContact CG-CE1 4.19Å; W361-F390 HydrophobicContact CG-CZ 4.45Å; W361-E392 PolarHBondContact NE1-O 3.43Å
362	R	88.6	Confident	88.5	Confident	94 Å²	94	25.3 Å²	25.3	36%	0.355	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	138.3	172.3	-64.8	-172.8	178.4	-171.8	-0.8	109.9	L228 W263 L364 F390	L228-R362 PolarHBondContact O-NH1 3.44Å; W263-R362 HydrophobicContact CB-CB 4.46Å; W263-R362 HydrophobicContact CB-CG 4.1Å; R362-L364 VanDerWaalsContact C-N 3.28Å; R362-L364 PolarHBondContact O-N 2.93Å; R362-F390 WeakPolarHBondContact O-CE1 3.41Å; R362-F390 WeakPolarHBondContact O-CZ 3.46Å
363	G	89.4	Confident	89.6	Confident	11 Å²	11	25 Å²	25	11%	0.113	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-12	-176.4	0	0	0	0	0	115.2	W263 W388	W263-G363 VanDerWaalsContact CH2-C 3.43Å; G363-W388 PolarHBondContact O-NE1 2.89Å
364	L	92.1	Very high	90.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-86	128.8	177	-168.9	69.6	0	0	0	110.5	W263 I357 W361 R362 I368 F381 W388 F390	W263-L364 VanDerWaalsContact CZ3-O 3.31Å; W263-L364 WeakPolarHBondContact CZ3-O 3.35Å; I357-L364 HydrophobicContact CG2-CB 4.18Å; I357-L364 HydrophobicContact CG2-CD2 3.7Å; I357-L364 HydrophobicContact CG2-CG 4.09Å; W361-L364 HydrophobicContact CB-CB 3.72Å; W361-L364 HydrophobicContact CB-CD2 3.87Å; W361-L364 HydrophobicContact CB-CG 4.44Å; W361-L364 HydrophobicContact CD2-CD2 4.26Å; W361-L364 HydrophobicContact CE3-CD2 4.3Å; W361-L364 HydrophobicContact CG-CD2 4.12Å; W361-L364 WeakPolarHBondContact O-CB 3.45Å; W361-L364 PolarHBondContact O-N 3.2Å; R362-L364 VanDerWaalsContact C-N 3.28Å; R362-L364 PolarHBondContact O-N 2.93Å; L364-I368 HydrophobicContact CD1-CG2 4.14Å; L364-I368 HydrophobicContact CD2-CG2 4.2Å; L364-I368 HydrophobicContact CG-CG2 4.15Å; L364-F381 HydrophobicContact CD1-CB 3.42Å; L364-F381 VanDerWaalsContact CD1-CB 3.42Å; L364-F381 HydrophobicContact CD1-CD1 4.24Å; L364-F381 HydrophobicContact CD1-CD2 3.95Å; L364-F381 HydrophobicContact CD1-CG 3.62Å; L364-F381 HydrophobicContact CD2-CB 4.43Å; L364-F381 HydrophobicContact CD2-CD1 3.69Å; L364-F381 HydrophobicContact CD2-CD2 4.14Å; L364-F381 HydrophobicContact CD2-CE1 3.87Å; L364-F381 HydrophobicContact CD2-CE2 4.28Å; L364-F381 HydrophobicContact CD2-CG 3.83Å; L364-F381 HydrophobicContact CD2-CZ 4.16Å; L364-F381 HydrophobicContact CG-CG 4.44Å; L364-W388 HydrophobicContact CD1-CB 4.01Å; L364-W388 HydrophobicContact CD1-CD2 4.04Å; L364-W388 HydrophobicContact CD1-CE3 4.4Å; L364-W388 HydrophobicContact CD1-CG 3.86Å; L364-F390 HydrophobicContact CB-CE2 3.95Å; L364-F390 HydrophobicContact CB-CZ 3.8Å; L364-F390 HydrophobicContact CD1-CE2 3.85Å; L364-F390 HydrophobicContact CG-CE2 4.35Å
365	P	91.8	Very high	90.2	Very high	14 Å²	14	31.9 Å²	31.9	9%	0.091	16%	0.16	C	C	.	.			trans	-61.6	154.7	-175.6	25.5	-36.1	0	0	0	112	S367 K383 W388	P365-S367 PolarHBondContact O-N 2.76Å; P365-K383 HydrophobicContact CB-CG 4.44Å; P365-K383 HydrophobicContact CG-CB 3.86Å; P365-K383 HydrophobicContact CG-CG 3.89Å; P365-W388 VanDerWaalsContact CD-CE2 3.42Å; P365-W388 HydrophobicContact CG-CH2 3.72Å; P365-W388 HydrophobicContact CG-CZ2 3.71Å; P365-W388 HydrophobicContact CG-CZ3 4.18Å
366	A	87.1	Confident	90.6	Very high	43 Å²	43	34.2 Å²	34.2	36%	0.355	17%	0.173	S	C	.	.	S	Bend	trans	-68.2	21.3	-176.6	0	0	0	0	0	115.4	E338 R339	E338-A366 CarbonylContact C-O 3.52Å; R339-A366 WeakPolarHBondContact CA-O 3.36Å; R339-A366 HydrophobicContact CB-CB 4.01Å; R339-A366 PolarHBondContact N-O 2.82Å; R339-A366 VanDerWaalsContact N-O 3.09Å
367	S	93.1	Very high	90.6	Very high	30 Å²	30	34 Å²	34	21%	0.21	17%	0.173	C	C	.	.	S	Bend	trans	-177.8	147.2	162	44.2	0	0	0	0	108.8	E338 P365 K383	E338-S367 WeakPolarHBondContact O-CA 3.36Å; P365-S367 PolarHBondContact O-N 2.76Å; S367-K383 WeakPolarHBondContact O-CD 3.48Å; S367-K383 WeakPolarHBondContact O-CE 3.28Å; S367-K383 WeakPolarHBondContact O-CG 3.39Å; S367-K383 PolarHBondContact O-NZ 3.4Å; S367-K383 VanDerWaalsContact O-NZ 3.14Å; S367-K383 PolarHBondContact OG-NZ 3.28Å
368	I	96.1	Very high	90.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.181	C	C	.	.			trans	-121.8	164.3	-176.3	57.6	170.8	0	0	0	111.3	T325 F336 L364 A371 F381	T325-I368 HydrophobicContact CG2-CD1 3.58Å; T325-I368 HydrophobicContact CG2-CG1 3.74Å; F336-I368 HydrophobicContact CB-CD1 4.23Å; F336-I368 HydrophobicContact CB-CG1 4.19Å; F336-I368 HydrophobicContact CD1-CD1 3.65Å; F336-I368 HydrophobicContact CD1-CG1 4.16Å; F336-I368 HydrophobicContact CD2-CD1 3.86Å; F336-I368 HydrophobicContact CE1-CD1 3.87Å; F336-I368 HydrophobicContact CE2-CD1 4.05Å; F336-I368 HydrophobicContact CG-CD1 3.65Å; F336-I368 HydrophobicContact CG-CG1 4.12Å; F336-I368 HydrophobicContact CZ-CD1 4.07Å; L364-I368 HydrophobicContact CD1-CG2 4.14Å; L364-I368 HydrophobicContact CD2-CG2 4.2Å; L364-I368 HydrophobicContact CG-CG2 4.15Å; I368-A371 HydrophobicContact CD1-CB 4.15Å; I368-F381 HydrophobicContact CD1-CD1 3.71Å; I368-F381 HydrophobicContact CD1-CE1 4.25Å; I368-F381 HydrophobicContact CG2-CB 4.38Å; I368-F381 HydrophobicContact CG2-CD1 4.45Å
369	N	96.2	Very high	91.3	Very high	37 Å²	37	35.7 Å²	35.7	20%	0.198	18%	0.177	C	C	.	.	S	Bend	trans	-93.5	-40.9	173.2	-69	126	0	0	0	112.7	F382 K383 G384 I415	N369-F382 PolarHBondContact N-O 3.39Å; N369-K383 WeakPolarHBondContact OD1-CA 3.5Å; N369-G384 PolarHBondContact OD1-N 3.3Å; N369-I415 WeakPolarHBondContact CB-O 3.36Å
370	T	97.4	Very high	92.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	158.5	174.2	-174.6	0	0	0	0	110	F382 I415 A417 A418	T370-F382 HydrophobicContact CG2-CB 4.12Å; T370-F382 HydrophobicContact CG2-CD2 3.74Å; T370-F382 HydrophobicContact CG2-CG 4.26Å; T370-F382 PolarHBondContact O-N 2.86Å; T370-I415 HydrophobicContact CG2-CB 4.05Å; T370-I415 HydrophobicContact CG2-CG2 3.74Å; T370-A417 WeakPolarHBondContact OG1-CA 3.32Å; T370-A418 HydrophobicContact CG2-CB 4.08Å; T370-A418 PolarHBondContact OG1-N 2.98Å
371	A	97.4	Very high	92.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.3	168.1	0	0	0	0	0	111.2	A327 I368 V380 F381	A327-A371 HydrophobicContact CB-CB 3.97Å; I368-A371 HydrophobicContact CD1-CB 4.15Å; A371-V380 CarbonylContact C-O 3.6Å; A371-V380 WeakPolarHBondContact CA-O 3.42Å; A371-F381 HydrophobicContact CB-CD1 3.51Å; A371-F381 HydrophobicContact CB-CE1 3.73Å; A371-F381 HydrophobicContact CB-CG 4.32Å
372	Y	96.2	Very high	93.2	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.027	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.5	168.6	79.5	-71.5	0	0	0	111.7	R374 V380 F382 A418 F420 T427 F429 E440	Y372-R374 HydrophobicContact CD2-CG 4.41Å; Y372-R374 HydrophobicContact CE2-CB 4.45Å; Y372-R374 HydrophobicContact CE2-CG 3.46Å; Y372-R374 VanDerWaalsContact CE2-CG 3.46Å; Y372-R374 WeakPolarHBondContact OH-CD 3.34Å; Y372-R374 VanDerWaalsContact OH-CG 3.28Å; Y372-R374 WeakPolarHBondContact OH-CG 3.4Å; Y372-V380 HydrophobicContact CD1-CB 3.83Å; Y372-V380 HydrophobicContact CD1-CG2 4.42Å; Y372-V380 HydrophobicContact CE1-CB 3.45Å; Y372-V380 VanDerWaalsContact CE1-CB 3.45Å; Y372-V380 HydrophobicContact CE1-CG1 3.89Å; Y372-V380 HydrophobicContact CE1-CG2 3.78Å; Y372-V380 PolarHBondContact N-O 3.32Å; Y372-V380 PolarHBondContact O-N 2.77Å; Y372-F382 AromaticContact CD1-CE2 3.91Å; Y372-F382 HydrophobicContact CD1-CE2 3.91Å; Y372-F382 AromaticContact CE1-CE2 3.66Å; Y372-F382 HydrophobicContact CE1-CE2 3.66Å; Y372-F382 HydrophobicContact CE1-CZ 4.08Å; Y372-A418 HydrophobicContact CD1-CB 3.47Å; Y372-A418 VanDerWaalsContact CD1-CB 3.47Å; Y372-A418 HydrophobicContact CE1-CB 4.15Å; Y372-A418 HydrophobicContact CG-CB 3.85Å; Y372-F420 HydrophobicContact CD2-CB 4.08Å; Y372-F420 HydrophobicContact CE2-CB 4.45Å; Y372-T427 HydrophobicContact CD2-CG2 4.13Å; Y372-T427 HydrophobicContact CE1-CG2 4.37Å; Y372-T427 HydrophobicContact CE2-CG2 3.45Å; Y372-T427 VanDerWaalsContact CE2-CG2 3.45Å; Y372-F429 HydrophobicContact CD1-CE1 4.44Å; Y372-F429 AromaticContact CE1-CE1 3.78Å; Y372-F429 HydrophobicContact CE1-CE1 3.78Å; Y372-F429 HydrophobicContact CE1-CZ 4.1Å; Y372-E440 PolarHBondContact OH-OE1 3.2Å
373	E	93.5	Very high	93.6	Very high	47 Å²	47	28 Å²	28	22%	0.22	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129	170.6	-174.6	169.8	-177.5	0	0	110.1	L329 R330 F379 F420	L329-E373 HydrophobicContact CD2-CB 4.11Å; R330-E373 WeakPolarHBondContact CD-OE1 3.38Å; R330-E373 IonicContact CZ-OE1 3.7Å; R330-E373 PolarHBondContact N-OE2 3.21Å; R330-E373 IonicContact NE-OE1 3.84Å; R330-E373 IonicContact NH1-OE1 3.98Å; R330-E373 PolarHBondContact NH1-OE1 3.47Å; E373-F379 HydrophobicContact CB-CD1 4.38Å; E373-F379 HydrophobicContact CG-CD1 4.22Å; E373-F379 HydrophobicContact CG-CE1 4.36Å; E373-F420 WeakPolarHBondContact O-CB 3.44Å
374	R	92	Very high	93.9	Very high	55 Å²	55	28.7 Å²	28.7	21%	0.208	15%	0.153	C	C	.	.			trans	-81.3	165.3	174.4	-85.6	174.1	61.1	-101.9	-8.6	111.3	Y372 D376 G377 K378 V380 E440	Y372-R374 HydrophobicContact CD2-CG 4.41Å; Y372-R374 HydrophobicContact CE2-CB 4.45Å; Y372-R374 HydrophobicContact CE2-CG 3.46Å; Y372-R374 VanDerWaalsContact CE2-CG 3.46Å; Y372-R374 WeakPolarHBondContact OH-CD 3.34Å; Y372-R374 VanDerWaalsContact OH-CG 3.28Å; Y372-R374 WeakPolarHBondContact OH-CG 3.4Å; R374-D376 WeakPolarHBondContact CB-OD1 3.36Å; R374-D376 IonicContact CZ-OD1 2.73Å; R374-D376 IonicContact CZ-OD2 3.65Å; R374-D376 IonicContact NH1-OD1 3.7Å; R374-D376 PolarHBondContact NH1-OD1 3.15Å; R374-D376 IonicContact NH1-OD2 3.77Å; R374-D376 PolarHBondContact NH1-OD2 2.9Å; R374-D376 IonicContact NH2-OD1 3.13Å; R374-D376 IonicContact NH2-OD2 3.83Å; R374-D376 PolarHBondContact NH2-OD2 2.91Å; R374-D376 PolarHBondContact O-N 3.43Å; R374-D376 VanDerWaalsContact O-N 3.09Å; R374-G377 WeakPolarHBondContact O-CA 3.3Å; R374-G377 PolarHBondContact O-N 2.73Å; R374-K378 PolarHBondContact N-O 3.14Å; R374-V380 HydrophobicContact CG-CG2 3.65Å; R374-E440 IonicContact CZ-OE2 3.68Å; R374-E440 IonicContact NE-OE2 2.79Å; R374-E440 PolarHBondContact NE-OE2 3.3Å; R374-E440 IonicContact NH2-OE2 3.29Å
375	K	89.8	Confident	94	Very high	136 Å²	136	31.7 Å²	31.7	59%	0.591	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.3	177.6	-173.4	-179.6	171.6	-173.8	0	114.2	G377 F420 E441	K375-G377 VanDerWaalsContact C-N 3.3Å; K375-F420 HydrophobicContact CB-CE1 4.26Å; K375-F420 HydrophobicContact CB-CE2 3.88Å; K375-F420 HydrophobicContact CB-CZ 3.62Å; K375-F420 HydrophobicContact CD-CZ 4.28Å; K375-F420 HydrophobicContact CG-CZ 3.91Å; K375-E441 IonicContact NZ-OE1 2.73Å; K375-E441 PolarHBondContact NZ-OE1 2.74Å
376	D	89.8	Confident	94.3	Very high	84 Å²	84	34 Å²	34	45%	0.449	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.4	176.1	58.2	2.6	0	0	0	113.5	R374 K378	R374-D376 WeakPolarHBondContact CB-OD1 3.36Å; R374-D376 IonicContact CZ-OD1 2.73Å; R374-D376 IonicContact CZ-OD2 3.65Å; R374-D376 IonicContact NH1-OD1 3.7Å; R374-D376 PolarHBondContact NH1-OD1 3.15Å; R374-D376 IonicContact NH1-OD2 3.77Å; R374-D376 PolarHBondContact NH1-OD2 2.9Å; R374-D376 IonicContact NH2-OD1 3.13Å; R374-D376 IonicContact NH2-OD2 3.83Å; R374-D376 PolarHBondContact NH2-OD2 2.91Å; R374-D376 PolarHBondContact O-N 3.43Å; R374-D376 VanDerWaalsContact O-N 3.09Å; D376-K378 VanDerWaalsContact C-N 3.29Å; D376-K378 PolarHBondContact O-N 3.25Å; D376-K378 PolarHBondContact OD1-N 3.03Å
377	G	86.8	Confident	94.8	Very high	6 Å²	6	32 Å²	32	6%	0.062	16%	0.16	C	C	.	.	S	Bend	trans	82.8	-1.2	-179.5	0	0	0	0	0	114.9	R330 R374 K375	R330-G377 PolarHBondContact NH1-O 3.24Å; R374-G377 WeakPolarHBondContact O-CA 3.3Å; R374-G377 PolarHBondContact O-N 2.73Å; K375-G377 VanDerWaalsContact C-N 3.3Å
378	K	92.6	Very high	95	Very high	40 Å²	40	31.2 Å²	31.2	17%	0.174	15%	0.153	C	C	.	.			trans	-78.6	142.8	178.5	-61.2	-163.8	-178.9	-160.4	0	111	R374 D376 V389 F390 E396	R374-K378 PolarHBondContact N-O 3.14Å; D376-K378 VanDerWaalsContact C-N 3.29Å; D376-K378 PolarHBondContact O-N 3.25Å; D376-K378 PolarHBondContact OD1-N 3.03Å; K378-V389 HydrophobicContact CB-CG1 3.79Å; K378-V389 HydrophobicContact CD-CG1 4.05Å; K378-F390 CarbonylContact C-O 3.43Å; K378-F390 WeakPolarHBondContact CA-O 3.19Å; K378-F390 WeakPolarHBondContact CB-O 3.18Å; K378-E396 HydrophobicContact CD-CG 4.29Å; K378-E396 IonicContact NZ-OE1 3.49Å; K378-E396 PolarHBondContact NZ-OE1 3.5Å; K378-E396 IonicContact NZ-OE2 2.71Å; K378-E396 PolarHBondContact NZ-OE2 3.2Å
379	F	95.4	Very high	95	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.039	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.1	177.9	-49.5	-25.1	0	0	0	109.4	L329 R330 E373 F381 V389 F390 E392	L329-F379 HydrophobicContact CB-CD1 4.19Å; L329-F379 HydrophobicContact CB-CE1 3.96Å; L329-F379 HydrophobicContact CB-CZ 4.14Å; L329-F379 HydrophobicContact CD1-CD1 4.49Å; L329-F379 HydrophobicContact CD1-CD2 4.11Å; L329-F379 HydrophobicContact CD1-CE2 4.46Å; L329-F379 HydrophobicContact CD1-CG 4.14Å; L329-F379 HydrophobicContact CD2-CB 4.35Å; L329-F379 HydrophobicContact CD2-CD1 3.89Å; L329-F379 HydrophobicContact CD2-CE1 4.49Å; L329-F379 HydrophobicContact CD2-CG 4.11Å; L329-F379 HydrophobicContact CG-CD1 4.41Å; R330-F379 HydrophobicContact CG-CE1 3.84Å; R330-F379 HydrophobicContact CG-CZ 3.65Å; E373-F379 HydrophobicContact CB-CD1 4.38Å; E373-F379 HydrophobicContact CG-CD1 4.22Å; E373-F379 HydrophobicContact CG-CE1 4.36Å; F379-F381 HydrophobicContact CB-CD2 4.42Å; F379-F381 HydrophobicContact CB-CE2 3.63Å; F379-F381 HydrophobicContact CB-CZ 4.02Å; F379-F381 HydrophobicContact CD2-CZ 4.44Å; F379-V389 CarbonylContact O-C 3.53Å; F379-V389 WeakPolarHBondContact O-CA 3.46Å; F379-F390 HydrophobicContact CB-CB 4.48Å; F379-F390 PolarHBondContact N-O 2.87Å; F379-F390 PolarHBondContact O-N 3.48Å; F379-E392 VanDerWaalsContact CD2-O 3.27Å; F379-E392 WeakPolarHBondContact CD2-O 3.43Å; F379-E392 WeakPolarHBondContact CE2-O 3.22Å
380	V	97.5	Very high	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.3	174.3	-170.2	0	0	0	0	109.4	A371 Y372 R374 F382 H387 W388 V389	A371-V380 CarbonylContact C-O 3.6Å; A371-V380 WeakPolarHBondContact CA-O 3.42Å; Y372-V380 HydrophobicContact CD1-CB 3.83Å; Y372-V380 HydrophobicContact CD1-CG2 4.42Å; Y372-V380 HydrophobicContact CE1-CB 3.45Å; Y372-V380 VanDerWaalsContact CE1-CB 3.45Å; Y372-V380 HydrophobicContact CE1-CG1 3.89Å; Y372-V380 HydrophobicContact CE1-CG2 3.78Å; Y372-V380 PolarHBondContact N-O 3.32Å; Y372-V380 PolarHBondContact O-N 2.77Å; R374-V380 HydrophobicContact CG-CG2 3.65Å; V380-F382 HydrophobicContact CB-CE2 4.38Å; V380-F382 HydrophobicContact CG1-CD2 4.36Å; V380-F382 HydrophobicContact CG1-CE2 3.69Å; V380-F382 HydrophobicContact CG1-CZ 3.77Å; V380-H387 HydrophobicContact CG1-CB 4.46Å; V380-W388 WeakPolarHBondContact CA-O 3.23Å; V380-V389 HydrophobicContact CG1-CG2 4.35Å; V380-V389 HydrophobicContact CG2-CG2 4.17Å
381	F	97.8	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.9	177.4	-58.3	-92.2	0	0	0	109.7	L329 F336 W361 L364 I368 A371 F379 H387 W388 F390	L329-F381 HydrophobicContact CD1-CZ 4.36Å; F336-F381 HydrophobicContact CE1-CE1 4.28Å; F336-F381 AromaticContact CZ-CE1 3.87Å; F336-F381 HydrophobicContact CZ-CE1 3.87Å; W361-F381 HydrophobicContact CD2-CZ 4.09Å; W361-F381 AromaticContact CE2-CZ 3.69Å; W361-F381 HydrophobicContact CG-CZ 4.48Å; W361-F381 AromaticContact CZ2-CZ 3.93Å; W361-F381 HydrophobicContact CZ2-CZ 3.93Å; W361-F381 AromaticContact NE1-CZ 3.88Å; L364-F381 HydrophobicContact CD1-CB 3.42Å; L364-F381 VanDerWaalsContact CD1-CB 3.42Å; L364-F381 HydrophobicContact CD1-CD1 4.24Å; L364-F381 HydrophobicContact CD1-CD2 3.95Å; L364-F381 HydrophobicContact CD1-CG 3.62Å; L364-F381 HydrophobicContact CD2-CB 4.43Å; L364-F381 HydrophobicContact CD2-CD1 3.69Å; L364-F381 HydrophobicContact CD2-CD2 4.14Å; L364-F381 HydrophobicContact CD2-CE1 3.87Å; L364-F381 HydrophobicContact CD2-CE2 4.28Å; L364-F381 HydrophobicContact CD2-CG 3.83Å; L364-F381 HydrophobicContact CD2-CZ 4.16Å; L364-F381 HydrophobicContact CG-CG 4.44Å; I368-F381 HydrophobicContact CD1-CD1 3.71Å; I368-F381 HydrophobicContact CD1-CE1 4.25Å; I368-F381 HydrophobicContact CG2-CB 4.38Å; I368-F381 HydrophobicContact CG2-CD1 4.45Å; A371-F381 HydrophobicContact CB-CD1 3.51Å; A371-F381 HydrophobicContact CB-CE1 3.73Å; A371-F381 HydrophobicContact CB-CG 4.32Å; F379-F381 HydrophobicContact CB-CD2 4.42Å; F379-F381 HydrophobicContact CB-CE2 3.63Å; F379-F381 HydrophobicContact CB-CZ 4.02Å; F379-F381 HydrophobicContact CD2-CZ 4.44Å; F381-H387 CarbonylContact O-C 3.55Å; F381-H387 WeakPolarHBondContact O-CA 3.22Å; F381-H387 WeakPolarHBondContact O-CB 3.45Å; F381-W388 HydrophobicContact CB-CB 4.48Å; F381-W388 PolarHBondContact N-O 2.85Å; F381-W388 PolarHBondContact O-N 3.28Å; F381-F390 AromaticContact CD2-CD2 3.6Å; F381-F390 HydrophobicContact CD2-CD2 3.6Å; F381-F390 HydrophobicContact CD2-CE2 4.12Å; F381-F390 HydrophobicContact CD2-CG 4.47Å; F381-F390 HydrophobicContact CE2-CB 4.17Å; F381-F390 AromaticContact CE2-CD2 3.65Å; F381-F390 HydrophobicContact CE2-CD2 3.65Å; F381-F390 HydrophobicContact CE2-CE2 4.34Å; F381-F390 HydrophobicContact CE2-CG 4.11Å
382	F	97.8	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.4	176.1	-63.7	-92.5	0	0	0	110.8	N369 T370 Y372 V380 H387 I403 L406 I415 A418 F429	N369-F382 PolarHBondContact N-O 3.39Å; T370-F382 HydrophobicContact CG2-CB 4.12Å; T370-F382 HydrophobicContact CG2-CD2 3.74Å; T370-F382 HydrophobicContact CG2-CG 4.26Å; T370-F382 PolarHBondContact O-N 2.86Å; Y372-F382 AromaticContact CD1-CE2 3.91Å; Y372-F382 HydrophobicContact CD1-CE2 3.91Å; Y372-F382 AromaticContact CE1-CE2 3.66Å; Y372-F382 HydrophobicContact CE1-CE2 3.66Å; Y372-F382 HydrophobicContact CE1-CZ 4.08Å; V380-F382 HydrophobicContact CB-CE2 4.38Å; V380-F382 HydrophobicContact CG1-CD2 4.36Å; V380-F382 HydrophobicContact CG1-CE2 3.69Å; V380-F382 HydrophobicContact CG1-CZ 3.77Å; F382-H387 HydrophobicContact CD1-CB 3.63Å; F382-H387 HydrophobicContact CE1-CB 3.71Å; F382-H387 HydrophobicContact CG-CB 4.35Å; F382-H387 HydrophobicContact CZ-CB 4.49Å; F382-I403 HydrophobicContact CD1-CD1 4.21Å; F382-I403 HydrophobicContact CD1-CG1 3.97Å; F382-I403 HydrophobicContact CE1-CG1 4.2Å; F382-L406 HydrophobicContact CE1-CD2 3.86Å; F382-L406 HydrophobicContact CZ-CD2 3.75Å; F382-I415 HydrophobicContact CB-CB 4.36Å; F382-I415 HydrophobicContact CD1-CB 4.23Å; F382-I415 HydrophobicContact CD1-CG1 3.57Å; F382-I415 HydrophobicContact CD2-CB 4.48Å; F382-I415 HydrophobicContact CD2-CG1 4.48Å; F382-I415 HydrophobicContact CE1-CG1 3.75Å; F382-I415 HydrophobicContact CG-CB 4.11Å; F382-I415 HydrophobicContact CG-CG1 3.97Å; F382-I415 HydrophobicContact CZ-CG1 4.27Å; F382-A418 HydrophobicContact CE2-CB 4.28Å; F382-F429 AromaticContact CE2-CE1 3.82Å; F382-F429 HydrophobicContact CE2-CE1 3.82Å; F382-F429 HydrophobicContact CZ-CD1 4.34Å; F382-F429 AromaticContact CZ-CE1 3.53Å; F382-F429 HydrophobicContact CZ-CE1 3.53Å; F382-F429 HydrophobicContact CZ-CZ 4.05Å
383	K	95.9	Very high	92.9	Very high	66 Å²	66	39.9 Å²	39.9	29%	0.287	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	118.1	171.3	176.2	59.1	161.3	-152.9	0	109.2	P365 S367 N369 D385 K386 W388	P365-K383 HydrophobicContact CB-CG 4.44Å; P365-K383 HydrophobicContact CG-CB 3.86Å; P365-K383 HydrophobicContact CG-CG 3.89Å; S367-K383 WeakPolarHBondContact O-CD 3.48Å; S367-K383 WeakPolarHBondContact O-CE 3.28Å; S367-K383 WeakPolarHBondContact O-CG 3.39Å; S367-K383 PolarHBondContact O-NZ 3.4Å; S367-K383 VanDerWaalsContact O-NZ 3.14Å; S367-K383 PolarHBondContact OG-NZ 3.28Å; N369-K383 WeakPolarHBondContact OD1-CA 3.5Å; K383-D385 PolarHBondContact O-N 2.66Å; K383-K386 PolarHBondContact N-O 2.81Å; K383-K386 PolarHBondContact O-N 3.24Å; K383-W388 HydrophobicContact CB-CH2 3.96Å; K383-W388 HydrophobicContact CB-CZ3 3.65Å
384	G	95	Very high	92.4	Very high	27 Å²	27	41.5 Å²	41.5	28%	0.278	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-136.7	-170.8	0	0	0	0	0	110.5	N369 K386 D413 K414	N369-G384 PolarHBondContact OD1-N 3.3Å; G384-K386 VanDerWaalsContact C-N 3.27Å; G384-K386 PolarHBondContact O-N 2.63Å; G384-D413 CarbonylContact C-O 3.6Å; G384-K414 VanDerWaalsContact O-CA 3.23Å; G384-K414 WeakPolarHBondContact O-CA 3.29Å; G384-K414 WeakPolarHBondContact O-CB 3.47Å
385	D	95.8	Very high	92.4	Very high	63 Å²	63	40.8 Å²	40.8	34%	0.337	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.2	179.6	72.5	-42.6	0	0	0	113.8	K383 H402 I403 T412 D413	K383-D385 PolarHBondContact O-N 2.66Å; D385-H402 CarbonylContact O-C 3.53Å; D385-H402 VanDerWaalsContact O-CA 3.26Å; D385-H402 WeakPolarHBondContact O-CA 3.35Å; D385-H402 IonicContact OD2-CE1 3.49Å; D385-H402 PolarHBondContact OD2-CE1 2.74Å; D385-H402 IonicContact OD2-CG 3.32Å; D385-H402 IonicContact OD2-ND1 2.77Å; D385-H402 PolarHBondContact OD2-ND1 3.29Å; D385-I403 WeakPolarHBondContact O-CG1 3.48Å; D385-I403 PolarHBondContact O-N 2.99Å; D385-T412 WeakPolarHBondContact CB-O 3.25Å; D385-D413 PolarHBondContact N-O 3.44Å
386	K	96.5	Very high	92.6	Very high	62 Å²	62	36.9 Å²	36.9	27%	0.27	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	154.9	-179.4	-66.8	-177.9	-176.7	-179.7	0	112.4	E267 K383 G384 W388 P400 K401	E267-K386 IonicContact OE2-NZ 3.96Å; K383-K386 PolarHBondContact N-O 2.81Å; K383-K386 PolarHBondContact O-N 3.24Å; G384-K386 VanDerWaalsContact C-N 3.27Å; G384-K386 PolarHBondContact O-N 2.63Å; K386-W388 HydrophobicContact CB-CH2 3.52Å; K386-W388 HydrophobicContact CB-CZ2 4.4Å; K386-W388 HydrophobicContact CB-CZ3 3.61Å; K386-W388 HydrophobicContact CD-CH2 4.18Å; K386-W388 HydrophobicContact CG-CH2 4.49Å; K386-P400 HydrophobicContact CB-CB 4.36Å; K386-P400 HydrophobicContact CD-CB 4.22Å; K386-P400 HydrophobicContact CD-CG 4.31Å; K386-K401 CarbonylContact C-O 3.51Å; K386-K401 WeakPolarHBondContact CA-O 3.38Å
387	H	97.4	Very high	92.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153	169.9	73.1	-60.5	0	0	0	111.9	V380 F381 F382 Y399 P400 K401 H402	V380-H387 HydrophobicContact CG1-CB 4.46Å; F381-H387 CarbonylContact O-C 3.55Å; F381-H387 WeakPolarHBondContact O-CA 3.22Å; F381-H387 WeakPolarHBondContact O-CB 3.45Å; F382-H387 HydrophobicContact CD1-CB 3.63Å; F382-H387 HydrophobicContact CE1-CB 3.71Å; F382-H387 HydrophobicContact CG-CB 4.35Å; F382-H387 HydrophobicContact CZ-CB 4.49Å; H387-Y399 AromaticContact CD2-CE1 3.99Å; H387-Y399 AromaticContact NE2-CE1 3.63Å; H387-P400 WeakPolarHBondContact O-CA 3.43Å; H387-K401 PolarHBondContact N-O 3.44Å; H387-K401 PolarHBondContact ND1-O 2.88Å; H387-K401 PolarHBondContact O-N 2.87Å; H387-H402 PolarHBondContact CE1-O 3.27Å; H387-H402 PolarHBondContact ND1-O 2.62Å
388	W	97.4	Very high	92.8	Very high	15 Å²	15	40.9 Å²	40.9	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.4	177.3	-63.6	-114.1	0	0	0	108.3	G363 L364 P365 V380 F381 K383 K386 F390 L395 P400	G363-W388 PolarHBondContact O-NE1 2.89Å; L364-W388 HydrophobicContact CD1-CB 4.01Å; L364-W388 HydrophobicContact CD1-CD2 4.04Å; L364-W388 HydrophobicContact CD1-CE3 4.4Å; L364-W388 HydrophobicContact CD1-CG 3.86Å; P365-W388 VanDerWaalsContact CD-CE2 3.42Å; P365-W388 HydrophobicContact CG-CH2 3.72Å; P365-W388 HydrophobicContact CG-CZ2 3.71Å; P365-W388 HydrophobicContact CG-CZ3 4.18Å; V380-W388 WeakPolarHBondContact CA-O 3.23Å; F381-W388 HydrophobicContact CB-CB 4.48Å; F381-W388 PolarHBondContact N-O 2.85Å; F381-W388 PolarHBondContact O-N 3.28Å; K383-W388 HydrophobicContact CB-CH2 3.96Å; K383-W388 HydrophobicContact CB-CZ3 3.65Å; K386-W388 HydrophobicContact CB-CH2 3.52Å; K386-W388 HydrophobicContact CB-CZ2 4.4Å; K386-W388 HydrophobicContact CB-CZ3 3.61Å; K386-W388 HydrophobicContact CD-CH2 4.18Å; K386-W388 HydrophobicContact CG-CH2 4.49Å; W388-F390 HydrophobicContact CB-CD2 4.12Å; W388-F390 HydrophobicContact CB-CE2 3.75Å; W388-F390 HydrophobicContact CG-CE2 4.3Å; W388-L395 HydrophobicContact CB-CD1 4.04Å; W388-L395 HydrophobicContact CG-CD1 4.33Å; W388-P400 HydrophobicContact CD2-CB 3.92Å; W388-P400 HydrophobicContact CG-CB 4.26Å; W388-P400 HydrophobicContact CH2-CB 4.29Å; W388-P400 HydrophobicContact CZ2-CB 3.72Å; W388-P400 HydrophobicContact CZ2-CG 3.99Å
389	V	97.1	Very high	92.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.3	171	-175.8	0	0	0	0	108.3	K378 F379 V380 E396 Y399	K378-V389 HydrophobicContact CB-CG1 3.79Å; K378-V389 HydrophobicContact CD-CG1 4.05Å; F379-V389 CarbonylContact O-C 3.53Å; F379-V389 WeakPolarHBondContact O-CA 3.46Å; V380-V389 HydrophobicContact CG1-CG2 4.35Å; V380-V389 HydrophobicContact CG2-CG2 4.17Å; V389-E396 HydrophobicContact CB-CB 4.4Å; V389-E396 HydrophobicContact CB-CG 4.2Å; V389-E396 HydrophobicContact CG1-CG 4Å; V389-E396 VanDerWaalsContact O-CB 3.3Å; V389-E396 WeakPolarHBondContact O-CB 3.46Å; V389-E396 WeakPolarHBondContact O-CG 3.22Å; V389-E396 PolarHBondContact O-N 2.92Å; V389-Y399 HydrophobicContact CB-CD1 4.49Å; V389-Y399 HydrophobicContact CB-CD2 4.22Å; V389-Y399 HydrophobicContact CB-CE1 4.16Å; V389-Y399 HydrophobicContact CB-CE2 3.83Å; V389-Y399 HydrophobicContact CG2-CD1 4.18Å; V389-Y399 HydrophobicContact CG2-CE1 3.53Å; V389-Y399 HydrophobicContact CG2-CE2 4.01Å; V389-Y399 VanDerWaalsContact CG2-CZ 3.41Å
390	F	93.3	Very high	92.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.5	178.9	-78.3	-100.7	0	0	0	110.4	W361 R362 L364 K378 F379 F381 W388 A393 S394 L395	W361-F390 HydrophobicContact CB-CD1 4.41Å; W361-F390 HydrophobicContact CB-CE1 3.79Å; W361-F390 HydrophobicContact CB-CZ 3.86Å; W361-F390 AromaticContact CD1-CD1 3.51Å; W361-F390 AromaticContact CD1-CE1 3.78Å; W361-F390 AromaticContact CD1-CG 3.87Å; W361-F390 HydrophobicContact CG-CD1 4.33Å; W361-F390 HydrophobicContact CG-CE1 4.19Å; W361-F390 HydrophobicContact CG-CZ 4.45Å; R362-F390 WeakPolarHBondContact O-CE1 3.41Å; R362-F390 WeakPolarHBondContact O-CZ 3.46Å; L364-F390 HydrophobicContact CB-CE2 3.95Å; L364-F390 HydrophobicContact CB-CZ 3.8Å; L364-F390 HydrophobicContact CD1-CE2 3.85Å; L364-F390 HydrophobicContact CG-CE2 4.35Å; K378-F390 CarbonylContact C-O 3.43Å; K378-F390 WeakPolarHBondContact CA-O 3.19Å; K378-F390 WeakPolarHBondContact CB-O 3.18Å; F379-F390 HydrophobicContact CB-CB 4.48Å; F379-F390 PolarHBondContact N-O 2.87Å; F379-F390 PolarHBondContact O-N 3.48Å; F381-F390 AromaticContact CD2-CD2 3.6Å; F381-F390 HydrophobicContact CD2-CD2 3.6Å; F381-F390 HydrophobicContact CD2-CE2 4.12Å; F381-F390 HydrophobicContact CD2-CG 4.47Å; F381-F390 HydrophobicContact CE2-CB 4.17Å; F381-F390 AromaticContact CE2-CD2 3.65Å; F381-F390 HydrophobicContact CE2-CD2 3.65Å; F381-F390 HydrophobicContact CE2-CE2 4.34Å; F381-F390 HydrophobicContact CE2-CG 4.11Å; W388-F390 HydrophobicContact CB-CD2 4.12Å; W388-F390 HydrophobicContact CB-CE2 3.75Å; W388-F390 HydrophobicContact CG-CE2 4.3Å; F390-A393 WeakPolarHBondContact CD1-O 3.32Å; F390-S394 CarbonylContact C-O 3.55Å; F390-S394 WeakPolarHBondContact CA-O 3.27Å; F390-S394 WeakPolarHBondContact CD1-O 3.32Å; F390-L395 HydrophobicContact CD1-CB 4.16Å; F390-L395 HydrophobicContact CD2-CD1 3.95Å; F390-L395 HydrophobicContact CE1-CB 3.68Å; F390-L395 HydrophobicContact CE1-CD1 4.17Å; F390-L395 HydrophobicContact CE2-CD1 3.51Å; F390-L395 HydrophobicContact CG-CD1 4.47Å; F390-L395 HydrophobicContact CZ-CB 3.91Å; F390-L395 HydrophobicContact CZ-CD1 3.63Å; F390-L395 HydrophobicContact CZ-CG 4.29Å
391	D	87.8	Confident	92.7	Very high	69 Å²	69	46.2 Å²	46.2	37%	0.369	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	102.8	159.6	-159.8	4.8	0	0	0	107.7	A393 S394	D391-A393 PolarHBondContact O-N 3.16Å; D391-S394 PolarHBondContact N-O 2.95Å; D391-S394 PolarHBondContact O-N 3.38Å
392	E	80.8	Confident	92.6	Very high	113 Å²	113	49.3 Å²	49.3	53%	0.528	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	-87.7	-170.4	-52.8	-169.5	158.1	0	0	114.4	R330 W361 F379	R330-E392 IonicContact NH2-OE1 3.21Å; W361-E392 PolarHBondContact NE1-O 3.43Å; F379-E392 VanDerWaalsContact CD2-O 3.27Å; F379-E392 WeakPolarHBondContact CD2-O 3.43Å; F379-E392 WeakPolarHBondContact CE2-O 3.22Å
393	A	80.3	Confident	92.6	Very high	42 Å²	42	49.3 Å²	49.3	35%	0.347	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-10.1	178.6	0	0	0	0	0	113.2	F360 F390 D391	F360-A393 HydrophobicContact CD1-CB 4.27Å; F360-A393 HydrophobicContact CE1-CB 3.91Å; F360-A393 HydrophobicContact CZ-CB 4.4Å; F390-A393 WeakPolarHBondContact CD1-O 3.32Å; D391-A393 PolarHBondContact O-N 3.16Å
394	S	84.2	Confident	92.5	Very high	81 Å²	81	52.5 Å²	52.5	57%	0.566	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.4	-176.5	-60	0	0	0	0	111.2	F390 D391	F390-S394 CarbonylContact C-O 3.55Å; F390-S394 WeakPolarHBondContact CA-O 3.27Å; F390-S394 WeakPolarHBondContact CD1-O 3.32Å; D391-S394 PolarHBondContact N-O 2.95Å; D391-S394 PolarHBondContact O-N 3.38Å
395	L	91.5	Very high	92.5	Very high	41 Å²	41	55.1 Å²	55.1	22%	0.215	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.5	174.9	-177.5	65.3	0	0	0	110	L228 W388 F390	L228-L395 HydrophobicContact CD1-CB 4.36Å; L228-L395 HydrophobicContact CD1-CD2 3.49Å; L228-L395 VanDerWaalsContact CD1-CD2 3.49Å; W388-L395 HydrophobicContact CB-CD1 4.04Å; W388-L395 HydrophobicContact CG-CD1 4.33Å; F390-L395 HydrophobicContact CD1-CB 4.16Å; F390-L395 HydrophobicContact CD2-CD1 3.95Å; F390-L395 HydrophobicContact CE1-CB 3.68Å; F390-L395 HydrophobicContact CE1-CD1 4.17Å; F390-L395 HydrophobicContact CE2-CD1 3.51Å; F390-L395 HydrophobicContact CG-CD1 4.47Å; F390-L395 HydrophobicContact CZ-CB 3.91Å; F390-L395 HydrophobicContact CZ-CD1 3.63Å; F390-L395 HydrophobicContact CZ-CG 4.29Å
396	E	93.4	Very high	92.4	Very high	53 Å²	53	52.5 Å²	52.5	25%	0.248	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68.7	144.2	175.7	-73.5	-86.6	111.7	0	0	111.7	K378 V389 G398 Y399	K378-E396 HydrophobicContact CD-CG 4.29Å; K378-E396 IonicContact NZ-OE1 3.49Å; K378-E396 PolarHBondContact NZ-OE1 3.5Å; K378-E396 IonicContact NZ-OE2 2.71Å; K378-E396 PolarHBondContact NZ-OE2 3.2Å; V389-E396 HydrophobicContact CB-CB 4.4Å; V389-E396 HydrophobicContact CB-CG 4.2Å; V389-E396 HydrophobicContact CG1-CG 4Å; V389-E396 VanDerWaalsContact O-CB 3.3Å; V389-E396 WeakPolarHBondContact O-CB 3.46Å; V389-E396 WeakPolarHBondContact O-CG 3.22Å; V389-E396 PolarHBondContact O-N 2.92Å; E396-G398 PolarHBondContact O-N 3.02Å; E396-Y399 HydrophobicContact CB-CD2 3.53Å; E396-Y399 HydrophobicContact CB-CE2 3.71Å; E396-Y399 WeakPolarHBondContact O-CD2 3.05Å; E396-Y399 PolarHBondContact O-N 3.42Å
397	P	90.9	Very high	92.3	Very high	117 Å²	117	49.9 Å²	49.9	76%	0.76	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	134.6	179	-28	35.8	0	0	0	114.2
398	G	90.1	Very high	92.2	Very high	57 Å²	57	59 Å²	59	59%	0.588	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	14.2	176.7	0	0	0	0	0	115.3	E396 K401	E396-G398 PolarHBondContact O-N 3.02Å; G398-K401 WeakPolarHBondContact O-CE 3.38Å; G398-K401 WeakPolarHBondContact O-CG 3.36Å
399	Y	92.7	Very high	92	Very high	45 Å²	45	60.8 Å²	60.8	18%	0.176	34%	0.338	C	S	.	.			trans	-97.8	154.7	165.4	-71.5	-85	0	0	0	110.8	H387 V389 E396 K401	H387-Y399 AromaticContact CD2-CE1 3.99Å; H387-Y399 AromaticContact NE2-CE1 3.63Å; V389-Y399 HydrophobicContact CB-CD1 4.49Å; V389-Y399 HydrophobicContact CB-CD2 4.22Å; V389-Y399 HydrophobicContact CB-CE1 4.16Å; V389-Y399 HydrophobicContact CB-CE2 3.83Å; V389-Y399 HydrophobicContact CG2-CD1 4.18Å; V389-Y399 HydrophobicContact CG2-CE1 3.53Å; V389-Y399 HydrophobicContact CG2-CE2 4.01Å; V389-Y399 VanDerWaalsContact CG2-CZ 3.41Å; E396-Y399 HydrophobicContact CB-CD2 3.53Å; E396-Y399 HydrophobicContact CB-CE2 3.71Å; E396-Y399 WeakPolarHBondContact O-CD2 3.05Å; E396-Y399 PolarHBondContact O-N 3.42Å; Y399-K401 HydrophobicContact CD1-CB 4.12Å; Y399-K401 HydrophobicContact CD1-CD 4.15Å; Y399-K401 HydrophobicContact CD1-CG 3.87Å; Y399-K401 HydrophobicContact CE1-CB 4.26Å; Y399-K401 HydrophobicContact CE1-CD 3.89Å; Y399-K401 HydrophobicContact CE1-CG 4.08Å; Y399-K401 HydrophobicContact CG-CG 4.49Å
400	P	94.9	Very high	92	Very high	54 Å²	54	61.4 Å²	61.4	35%	0.351	34%	0.34	S	S	.	.			cis	-71.2	156.8	3	26.3	-33.4	0	0	0	115.5	K386 H387 W388	K386-P400 HydrophobicContact CB-CB 4.36Å; K386-P400 HydrophobicContact CD-CB 4.22Å; K386-P400 HydrophobicContact CD-CG 4.31Å; H387-P400 WeakPolarHBondContact O-CA 3.43Å; W388-P400 HydrophobicContact CD2-CB 3.92Å; W388-P400 HydrophobicContact CG-CB 4.26Å; W388-P400 HydrophobicContact CH2-CB 4.29Å; W388-P400 HydrophobicContact CZ2-CB 3.72Å; W388-P400 HydrophobicContact CZ2-CG 3.99Å
401	K	95.6	Very high	92	Very high	62 Å²	62	62 Å²	62	27%	0.27	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.8	173.9	-66.2	-174.7	-173.7	-176.5	0	110.7	K386 H387 G398 Y399 E405	K386-K401 CarbonylContact C-O 3.51Å; K386-K401 WeakPolarHBondContact CA-O 3.38Å; H387-K401 PolarHBondContact N-O 3.44Å; H387-K401 PolarHBondContact ND1-O 2.88Å; H387-K401 PolarHBondContact O-N 2.87Å; G398-K401 WeakPolarHBondContact O-CE 3.38Å; G398-K401 WeakPolarHBondContact O-CG 3.36Å; Y399-K401 HydrophobicContact CD1-CB 4.12Å; Y399-K401 HydrophobicContact CD1-CD 4.15Å; Y399-K401 HydrophobicContact CD1-CG 3.87Å; Y399-K401 HydrophobicContact CE1-CB 4.26Å; Y399-K401 HydrophobicContact CE1-CD 3.89Å; Y399-K401 HydrophobicContact CE1-CG 4.08Å; Y399-K401 HydrophobicContact CG-CG 4.49Å; K401-E405 HydrophobicContact CB-CB 4.23Å
402	H	96.8	Very high	92.2	Very high	65 Å²	65	63.6 Å²	63.6	30%	0.301	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	152.1	173.5	-65.3	-89.2	0	0	0	111.3	D385 H387 K404 E405	D385-H402 CarbonylContact O-C 3.53Å; D385-H402 VanDerWaalsContact O-CA 3.26Å; D385-H402 WeakPolarHBondContact O-CA 3.35Å; D385-H402 IonicContact OD2-CE1 3.49Å; D385-H402 PolarHBondContact OD2-CE1 2.74Å; D385-H402 IonicContact OD2-CG 3.32Å; D385-H402 IonicContact OD2-ND1 2.77Å; D385-H402 PolarHBondContact OD2-ND1 3.29Å; H387-H402 PolarHBondContact CE1-O 3.27Å; H387-H402 PolarHBondContact ND1-O 2.62Å; H402-K404 HydrophobicContact CB-CD 4.03Å; H402-K404 HydrophobicContact CB-CG 3.82Å; H402-K404 PolarHBondContact O-N 3.49Å; H402-K404 VanDerWaalsContact O-N 3.15Å; H402-E405 WeakPolarHBondContact CB-OE1 3.43Å; H402-E405 IonicContact CD2-OE1 2.7Å; H402-E405 PolarHBondContact CD2-OE1 3.34Å; H402-E405 IonicContact CG-OE1 2.94Å; H402-E405 PolarHBondContact N-OE1 2.73Å; H402-E405 WeakPolarHBondContact O-CB 3.4Å; H402-E405 PolarHBondContact O-N 2.87Å
403	I	96.6	Very high	92.9	Very high	1 Å²	1	62 Å²	62	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-57.9	-31.7	179	-64.7	162.8	0	0	0	111.8	F382 D385 E405 L406 L410 P411 I415	F382-I403 HydrophobicContact CD1-CD1 4.21Å; F382-I403 HydrophobicContact CD1-CG1 3.97Å; F382-I403 HydrophobicContact CE1-CG1 4.2Å; D385-I403 WeakPolarHBondContact O-CG1 3.48Å; D385-I403 PolarHBondContact O-N 2.99Å; I403-E405 PolarHBondContact O-N 3.07Å; I403-E405 VanDerWaalsContact O-N 3.12Å; I403-L406 VanDerWaalsContact O-CB 3.28Å; I403-L406 WeakPolarHBondContact O-CB 3.37Å; I403-L406 PolarHBondContact O-N 2.93Å; I403-L410 HydrophobicContact CG2-CB 3.85Å; I403-L410 HydrophobicContact CG2-CD1 4.07Å; I403-P411 WeakPolarHBondContact CG2-O 3.2Å; I403-I415 HydrophobicContact CD1-CD1 4.45Å; I403-I415 HydrophobicContact CD1-CG1 4.05Å; I403-I415 HydrophobicContact CG2-CD1 4.43Å
404	K	94	Very high	93.6	Very high	133 Å²	133	63.1 Å²	63.1	58%	0.578	35%	0.349	S	S	*	.	H	α-helix	trans	-56.4	-25.6	173.7	74.6	-165.2	179.2	-166.3	0	113.7	H402	H402-K404 HydrophobicContact CB-CD 4.03Å; H402-K404 HydrophobicContact CB-CG 3.82Å; H402-K404 PolarHBondContact O-N 3.49Å; H402-K404 VanDerWaalsContact O-N 3.15Å
405	E	95.3	Very high	94.3	Very high	81 Å²	81	59.2 Å²	59.2	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-87.7	-20.4	179.3	-59.6	169.4	-113.3	0	0	112.2	K401 H402 I403 R443	K401-E405 HydrophobicContact CB-CB 4.23Å; H402-E405 WeakPolarHBondContact CB-OE1 3.43Å; H402-E405 IonicContact CD2-OE1 2.7Å; H402-E405 PolarHBondContact CD2-OE1 3.34Å; H402-E405 IonicContact CG-OE1 2.94Å; H402-E405 PolarHBondContact N-OE1 2.73Å; H402-E405 WeakPolarHBondContact O-CB 3.4Å; H402-E405 PolarHBondContact O-N 2.87Å; I403-E405 PolarHBondContact O-N 3.07Å; I403-E405 VanDerWaalsContact O-N 3.12Å; E405-R443 PolarHBondContact O-NH2 3.06Å
406	L	94.3	Very high	94.5	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-49.3	171.3	-177.4	55.5	0	0	0	109.3	F382 I403 L410 F429 F438 R443	F382-L406 HydrophobicContact CE1-CD2 3.86Å; F382-L406 HydrophobicContact CZ-CD2 3.75Å; I403-L406 VanDerWaalsContact O-CB 3.28Å; I403-L406 WeakPolarHBondContact O-CB 3.37Å; I403-L406 PolarHBondContact O-N 2.93Å; L406-L410 HydrophobicContact CB-CD1 3.98Å; L406-L410 HydrophobicContact CD2-CD1 3.81Å; L406-L410 HydrophobicContact CG-CD1 3.92Å; L406-F429 HydrophobicContact CD2-CE2 4.41Å; L406-F429 HydrophobicContact CD2-CZ 3.91Å; L406-F438 HydrophobicContact CG-CE1 4.36Å; L406-F438 HydrophobicContact CG-CZ 4.15Å; L406-R443 PolarHBondContact O-NE 2.63Å; L406-R443 PolarHBondContact O-NH2 2.75Å
407	G	93.1	Very high	94.7	Very high	8 Å²	8	55.4 Å²	55.4	8%	0.082	30%	0.303	C	S	.	.			trans	176.6	175.4	170.7	0	0	0	0	0	115.1	R443	G407-R443 CarbonylContact C-O 3.5Å; G407-R443 WeakPolarHBondContact CA-O 2.81Å
408	R	95.4	Very high	95.1	Very high	191 Å²	191	49.8 Å²	49.8	72%	0.721	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-75.9	141.2	-173.8	-63.6	-178.2	-66.4	178.9	0.1	112.2	R443 A444 V445	R408-R443 PolarHBondContact N-O 2.86Å; R408-A444 HydrophobicContact CB-CB 4.49Å; R408-A444 WeakPolarHBondContact O-CA 3.39Å; R408-V445 PolarHBondContact O-N 2.55Å
409	G	94.5	Very high	95.3	Very high	53 Å²	53	47.2 Å²	47.2	55%	0.546	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.1	173.9	0	0	0	0	0	115.7	Y436	G409-Y436 WeakPolarHBondContact O-CD1 3.49Å; G409-Y436 WeakPolarHBondContact O-CE1 3.36Å
410	L	96.1	Very high	95.4	Very high	15 Å²	15	47 Å²	47	8%	0.079	24%	0.24	C	C	.	.	S	Bend	trans	-72.7	154.7	170.6	-67.5	176.3	0	0	0	111.5	I403 L406 F429 F438 V445	I403-L410 HydrophobicContact CG2-CB 3.85Å; I403-L410 HydrophobicContact CG2-CD1 4.07Å; L406-L410 HydrophobicContact CB-CD1 3.98Å; L406-L410 HydrophobicContact CD2-CD1 3.81Å; L406-L410 HydrophobicContact CG-CD1 3.92Å; L410-F429 HydrophobicContact CD1-CE2 4.28Å; L410-F429 HydrophobicContact CD2-CD2 3.35Å; L410-F429 HydrophobicContact CD2-CE2 3.77Å; L410-F429 HydrophobicContact CD2-CG 4.21Å; L410-F438 HydrophobicContact CD1-CD2 4.02Å; L410-F438 HydrophobicContact CD1-CE2 3.78Å; L410-F438 HydrophobicContact CD1-CZ 4.3Å; L410-F438 HydrophobicContact CD2-CB 4.43Å; L410-F438 HydrophobicContact CD2-CD2 3.86Å; L410-F438 HydrophobicContact CD2-CE2 4.44Å; L410-F438 HydrophobicContact CD2-CG 4.35Å; L410-F438 HydrophobicContact CG-CD2 3.97Å; L410-F438 HydrophobicContact CG-CE2 4.07Å; L410-V445 HydrophobicContact CD2-CG2 3.6Å; L410-V445 HydrophobicContact CG-CG2 3.98Å
411	P	94.2	Very high	95.2	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.084	23%	0.227	C	C	.	.			trans	-64.7	146.6	171.4	30.6	-36.1	0	0	0	110.7	I403 I415 R431 Y436	I403-P411 WeakPolarHBondContact CG2-O 3.2Å; P411-I415 HydrophobicContact CG-CD1 3.6Å; P411-R431 HydrophobicContact CB-CG 4.13Å; P411-R431 HydrophobicContact CG-CB 4.13Å; P411-R431 HydrophobicContact CG-CG 4.17Å; P411-Y436 HydrophobicContact CG-CE2 4.18Å
412	T	92.4	Very high	94.8	Very high	103 Å²	103	46.2 Å²	46.2	63%	0.632	23%	0.232	S	C	*	.	S	Bend	trans	-97.5	-1	-173	55	0	0	0	0	114.2	D385	D385-T412 WeakPolarHBondContact CB-O 3.25Å
413	D	94.1	Very high	94.2	Very high	79 Å²	79	47 Å²	47	42%	0.422	24%	0.243	S	C	.	.	S	Bend	trans	-107.8	-46.8	-168.3	66.4	-25.5	0	0	0	113.6	G384 D385 R431	G384-D413 CarbonylContact C-O 3.6Å; D385-D413 PolarHBondContact N-O 3.44Å; D413-R431 IonicContact OD1-NE 3.83Å; D413-R431 PolarHBondContact OD1-NE 3.12Å; D413-R431 IonicContact OD2-CZ 2.81Å; D413-R431 IonicContact OD2-NE 3.43Å; D413-R431 PolarHBondContact OD2-NE 2.97Å; D413-R431 IonicContact OD2-NH2 2.66Å; D413-R431 PolarHBondContact OD2-NH2 3.26Å
414	K	95.8	Very high	93.9	Very high	65 Å²	65	50.1 Å²	50.1	28%	0.283	26%	0.26	S	S	.	.			trans	-169.8	179.1	164.5	62	175.7	-176.5	164.1	0	111.6	G384 D416 R431	G384-K414 VanDerWaalsContact O-CA 3.23Å; G384-K414 WeakPolarHBondContact O-CA 3.29Å; G384-K414 WeakPolarHBondContact O-CB 3.47Å; K414-D416 WeakPolarHBondContact CE-OD1 3.37Å; K414-D416 IonicContact NZ-OD1 3.82Å; K414-D416 PolarHBondContact NZ-OD1 3.38Å; K414-R431 VanDerWaalsContact CE-CZ 3.48Å; K414-R431 WeakPolarHBondContact O-CD 3.21Å
415	I	98	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.			trans	-115.9	134.6	166.5	-52.7	-61	0	0	0	108	N369 T370 F382 I403 P411 A417 A418 F429	N369-I415 WeakPolarHBondContact CB-O 3.36Å; T370-I415 HydrophobicContact CG2-CB 4.05Å; T370-I415 HydrophobicContact CG2-CG2 3.74Å; F382-I415 HydrophobicContact CB-CB 4.36Å; F382-I415 HydrophobicContact CD1-CB 4.23Å; F382-I415 HydrophobicContact CD1-CG1 3.57Å; F382-I415 HydrophobicContact CD2-CB 4.48Å; F382-I415 HydrophobicContact CD2-CG1 4.48Å; F382-I415 HydrophobicContact CE1-CG1 3.75Å; F382-I415 HydrophobicContact CG-CB 4.11Å; F382-I415 HydrophobicContact CG-CG1 3.97Å; F382-I415 HydrophobicContact CZ-CG1 4.27Å; I403-I415 HydrophobicContact CD1-CD1 4.45Å; I403-I415 HydrophobicContact CD1-CG1 4.05Å; I403-I415 HydrophobicContact CG2-CD1 4.43Å; P411-I415 HydrophobicContact CG-CD1 3.6Å; I415-A417 WeakPolarHBondContact CG2-O 3.41Å; I415-A418 HydrophobicContact CG2-CB 4.46Å; I415-F429 HydrophobicContact CD1-CB 4.19Å; I415-F429 HydrophobicContact CD1-CD1 4.34Å; I415-F429 HydrophobicContact CD1-CG 4.34Å; I415-F429 HydrophobicContact CG1-CD1 4.41Å; I415-F429 HydrophobicContact CG2-CB 4.26Å; I415-F429 HydrophobicContact CG2-CD1 3.86Å
416	D	97.6	Very high	93.8	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.07	23%	0.232	C	C	.	.	S	Bend	trans	-88	-39.3	177.6	-62.5	-31.1	0	0	0	111.5	K414 F430 R431 G432 S462 P463	K414-D416 WeakPolarHBondContact CE-OD1 3.37Å; K414-D416 IonicContact NZ-OD1 3.82Å; K414-D416 PolarHBondContact NZ-OD1 3.38Å; D416-F430 PolarHBondContact N-O 3.11Å; D416-R431 IonicContact OD1-CZ 3.34Å; D416-R431 IonicContact OD1-NH1 3.18Å; D416-R431 PolarHBondContact OD1-NH1 3.42Å; D416-R431 WeakPolarHBondContact OD2-CA 3.25Å; D416-R431 IonicContact OD2-NH1 3.47Å; D416-R431 PolarHBondContact OD2-NH1 3.28Å; D416-G432 PolarHBondContact OD2-N 3Å; D416-S462 WeakPolarHBondContact OD2-CB 3.47Å; D416-S462 PolarHBondContact OD2-OG 2.71Å; D416-P463 CarbonylContact C-O 3.58Å; D416-P463 VanDerWaalsContact C-O 3.24Å; D416-P463 WeakPolarHBondContact CB-O 3.46Å; D416-P463 VanDerWaalsContact O-O 3.04Å
417	A	97.7	Very high	93.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.4	169.7	0	0	0	0	0	111.7	T370 I415 F430 P463 S466	T370-A417 WeakPolarHBondContact OG1-CA 3.32Å; I415-A417 WeakPolarHBondContact CG2-O 3.41Å; A417-F430 HydrophobicContact CB-CB 4.24Å; A417-F430 HydrophobicContact CB-CD2 4.13Å; A417-F430 PolarHBondContact N-O 3.37Å; A417-F430 PolarHBondContact O-N 3.38Å; A417-P463 HydrophobicContact CB-CB 4.24Å; A417-P463 HydrophobicContact CB-CG 3.87Å; A417-S466 WeakPolarHBondContact CB-OG 3.32Å
418	A	97.4	Very high	94.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.8	176.9	0	0	0	0	0	111.1	T370 Y372 F382 I415 F429 S466	T370-A418 HydrophobicContact CG2-CB 4.08Å; T370-A418 PolarHBondContact OG1-N 2.98Å; Y372-A418 HydrophobicContact CD1-CB 3.47Å; Y372-A418 VanDerWaalsContact CD1-CB 3.47Å; Y372-A418 HydrophobicContact CE1-CB 4.15Å; Y372-A418 HydrophobicContact CG-CB 3.85Å; F382-A418 HydrophobicContact CE2-CB 4.28Å; I415-A418 HydrophobicContact CG2-CB 4.46Å; A418-F429 HydrophobicContact CB-CD1 3.66Å; A418-F429 HydrophobicContact CB-CE1 3.74Å; A418-S466 PolarHBondContact N-OG 2.87Å; A418-S466 VanDerWaalsContact O-O 3.1Å; A418-S466 PolarHBondContact O-OG 2.92Å
419	L	95.7	Very high	94.2	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	119.6	-178.2	174.1	70.1	0	0	0	110.1	W421 T427 Y428 F430 W456 M468 T475	L419-W421 PolarHBondContact O-N 3.35Å; L419-T427 CarbonylContact O-C 3.59Å; L419-T427 WeakPolarHBondContact O-CA 3.44Å; L419-Y428 PolarHBondContact N-O 2.81Å; L419-Y428 PolarHBondContact O-N 2.91Å; L419-F430 HydrophobicContact CB-CE2 4.22Å; L419-W456 HydrophobicContact CD2-CH2 3.8Å; L419-W456 HydrophobicContact CD2-CZ3 4.44Å; L419-M468 HydrophobicContact CD1-CB 4.33Å; L419-T475 HydrophobicContact CD1-CG2 4.06Å; L419-T475 HydrophobicContact CD2-CG2 3.55Å; L419-T475 HydrophobicContact CG-CG2 4.46Å
420	F	94.2	Very high	94.4	Very high	39 Å²	39	30.9 Å²	30.9	17%	0.171	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.1	162.4	-179.5	-116	0	0	0	109.3	Y372 E373 K375 M422	Y372-F420 HydrophobicContact CD2-CB 4.08Å; Y372-F420 HydrophobicContact CE2-CB 4.45Å; E373-F420 WeakPolarHBondContact O-CB 3.44Å; K375-F420 HydrophobicContact CB-CE1 4.26Å; K375-F420 HydrophobicContact CB-CE2 3.88Å; K375-F420 HydrophobicContact CB-CZ 3.62Å; K375-F420 HydrophobicContact CD-CZ 4.28Å; K375-F420 HydrophobicContact CG-CZ 3.91Å; F420-M422 HydrophobicContact CD1-CG 3.87Å; F420-M422 HydrophobicContact CE1-CG 3.81Å; F420-M422 PolarHBondContact O-N 3.47Å
421	W	91.1	Very high	94.4	Very high	23 Å²	23	33 Å²	33	9%	0.087	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	97	-178.4	-164.4	-37	0	0	0	109.7	L419 N424 G425 K426 Y428 W456 M468 N488 L491	L419-W421 PolarHBondContact O-N 3.35Å; W421-N424 PolarHBondContact O-N 2.96Å; W421-N424 PolarHBondContact O-OD1 3.42Å; W421-G425 PolarHBondContact O-N 2.85Å; W421-K426 WeakPolarHBondContact CB-O 3.24Å; W421-K426 PolarHBondContact N-O 2.77Å; W421-Y428 HydrophobicContact CB-CD2 3.58Å; W421-Y428 HydrophobicContact CB-CE2 3.55Å; W421-Y428 HydrophobicContact CD2-CD2 4.39Å; W421-Y428 AromaticContact CD2-CE2 3.99Å; W421-Y428 HydrophobicContact CD2-CE2 3.99Å; W421-Y428 AromaticContact CE3-CD1 3.95Å; W421-Y428 HydrophobicContact CE3-CD1 3.95Å; W421-Y428 AromaticContact CE3-CD2 3.81Å; W421-Y428 HydrophobicContact CE3-CD2 3.81Å; W421-Y428 AromaticContact CE3-CE1 3.63Å; W421-Y428 HydrophobicContact CE3-CE1 3.63Å; W421-Y428 AromaticContact CE3-CE2 3.51Å; W421-Y428 HydrophobicContact CE3-CE2 3.51Å; W421-Y428 HydrophobicContact CE3-CG 4.02Å; W421-Y428 AromaticContact CE3-CZ 3.39Å; W421-Y428 HydrophobicContact CG-CD2 4.34Å; W421-Y428 HydrophobicContact CG-CE2 4.02Å; W421-Y428 HydrophobicContact CZ3-CD1 4.32Å; W421-Y428 AromaticContact CZ3-CE1 3.86Å; W421-Y428 HydrophobicContact CZ3-CE1 3.86Å; W421-Y428 HydrophobicContact CZ3-CE2 4.49Å; W421-Y428 AromaticContact CZ3-CZ 3.95Å; W421-W456 HydrophobicContact CD2-CH2 4.43Å; W421-W456 AromaticContact CE3-CH2 3.38Å; W421-W456 HydrophobicContact CE3-CH2 3.38Å; W421-W456 AromaticContact CE3-CZ2 3.81Å; W421-W456 HydrophobicContact CE3-CZ2 3.81Å; W421-W456 HydrophobicContact CE3-CZ3 4.3Å; W421-W456 AromaticContact CH2-CH2 3.77Å; W421-W456 HydrophobicContact CH2-CH2 3.77Å; W421-W456 HydrophobicContact CH2-CZ2 4.34Å; W421-W456 AromaticContact CH2-CZ3 3.94Å; W421-W456 HydrophobicContact CH2-CZ3 3.94Å; W421-W456 AromaticContact CZ3-CH2 3.01Å; W421-W456 HydrophobicContact CZ3-CH2 3.01Å; W421-W456 AromaticContact CZ3-CZ2 3.35Å; W421-W456 HydrophobicContact CZ3-CZ2 3.35Å; W421-W456 AromaticContact CZ3-CZ3 3.66Å; W421-W456 HydrophobicContact CZ3-CZ3 3.66Å; W421-M468 HydrophobicContact CB-CE 4.42Å; W421-M468 HydrophobicContact CD2-CE 4.44Å; W421-M468 HydrophobicContact CG-CE 3.9Å; W421-N488 HydrophobicContact CZ2-CB 4.11Å; W421-L491 HydrophobicContact CH2-CD2 4.25Å
422	M	86.6	Confident	94.5	Very high	77 Å²	77	33.5 Å²	33.5	38%	0.379	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-52.7	-52.7	-174.1	-70.1	-176.4	-85.5	0	0	114	F420 N424 G425 M468 E472	F420-M422 HydrophobicContact CD1-CG 3.87Å; F420-M422 HydrophobicContact CE1-CG 3.81Å; F420-M422 PolarHBondContact O-N 3.47Å; M422-N424 PolarHBondContact O-N 2.88Å; M422-G425 PolarHBondContact O-N 2.85Å; M422-M468 HydrophobicContact CB-SD 4.06Å; M422-M468 HydrophobicContact CE-CB 3.79Å; M422-M468 HydrophobicContact CE-CG 3.76Å; M422-M468 HydrophobicContact CE-SD 3.8Å; M422-M468 HydrophobicContact CG-SD 4.48Å; M422-E472 HydrophobicContact CE-CG 3.91Å; M422-E472 HydrophobicContact SD-CG 4.45Å
423	P	85.2	Confident	94.7	Very high	81 Å²	81	31.9 Å²	31.9	53%	0.526	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-46.9	-23.4	177	-36.2	30.6	0	0	0	119.5	E472	P423-E472 WeakPolarHBondContact CD-OE2 3.38Å
424	N	89.9	Confident	94.9	Very high	68 Å²	68	32.8 Å²	32.8	36%	0.364	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-128.2	2.1	175.3	63.4	40.2	0	0	0	114.1	W421 M422 K426 Y428	W421-N424 PolarHBondContact O-N 2.96Å; W421-N424 PolarHBondContact O-OD1 3.42Å; M422-N424 PolarHBondContact O-N 2.88Å; N424-K426 PolarHBondContact O-N 3.36Å; N424-K426 VanDerWaalsContact OD1-CB 3.31Å; N424-K426 WeakPolarHBondContact OD1-CB 3.37Å; N424-K426 PolarHBondContact OD1-N 3.35Å; N424-Y428 PolarHBondContact ND2-OH 2.76Å
425	G	90.8	Very high	94.9	Very high	19 Å²	19	30.2 Å²	30.2	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	22.9	179.9	0	0	0	0	0	114.9	W421 M422	W421-G425 PolarHBondContact O-N 2.85Å; M422-G425 PolarHBondContact O-N 2.85Å
426	K	95.3	Very high	94.9	Very high	40 Å²	40	31.4 Å²	31.4	17%	0.174	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	148.6	176.6	-54	-54.8	173.7	-160.6	0	111.1	W421 N424 Y428 R437 N439	W421-K426 WeakPolarHBondContact CB-O 3.24Å; W421-K426 PolarHBondContact N-O 2.77Å; N424-K426 PolarHBondContact O-N 3.36Å; N424-K426 VanDerWaalsContact OD1-CB 3.31Å; N424-K426 WeakPolarHBondContact OD1-CB 3.37Å; N424-K426 PolarHBondContact OD1-N 3.35Å; K426-Y428 HydrophobicContact CB-CE2 3.98Å; K426-Y428 WeakPolarHBondContact O-CD2 3.39Å; K426-R437 HydrophobicContact CB-CG 3.76Å; K426-R437 HydrophobicContact CG-CG 4.16Å; K426-N439 HydrophobicContact CD-CB 4.23Å; K426-N439 VanDerWaalsContact NZ-CG 3.28Å; K426-N439 PolarHBondContact NZ-ND2 3.34Å; K426-N439 PolarHBondContact NZ-OD1 3.41Å
427	T	97.1	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.8	174.7	-55.2	0	0	0	0	109.1	Y372 L419 F429 F438 E440	Y372-T427 HydrophobicContact CD2-CG2 4.13Å; Y372-T427 HydrophobicContact CE1-CG2 4.37Å; Y372-T427 HydrophobicContact CE2-CG2 3.45Å; Y372-T427 VanDerWaalsContact CE2-CG2 3.45Å; L419-T427 CarbonylContact O-C 3.59Å; L419-T427 WeakPolarHBondContact O-CA 3.44Å; T427-F429 HydrophobicContact CG2-CD1 4.3Å; T427-F429 HydrophobicContact CG2-CD2 4.27Å; T427-F429 HydrophobicContact CG2-CE1 3.72Å; T427-F429 HydrophobicContact CG2-CE2 3.71Å; T427-F429 HydrophobicContact CG2-CZ 3.4Å; T427-F429 VanDerWaalsContact CG2-CZ 3.4Å; T427-F438 PolarHBondContact N-O 3.09Å; T427-F438 WeakPolarHBondContact O-CB 3.42Å; T427-F438 PolarHBondContact O-N 3.33Å; T427-E440 WeakPolarHBondContact CB-OE1 3.33Å; T427-E440 PolarHBondContact OG1-OE1 2.9Å
428	Y	97.1	Very high	94.9	Very high	11 Å²	11	34.2 Å²	34.2	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.3	179.6	-74.4	-112.1	0	0	0	108.6	L419 W421 N424 K426 Y435 Y436 R437 W456	L419-Y428 PolarHBondContact N-O 2.81Å; L419-Y428 PolarHBondContact O-N 2.91Å; W421-Y428 HydrophobicContact CB-CD2 3.58Å; W421-Y428 HydrophobicContact CB-CE2 3.55Å; W421-Y428 HydrophobicContact CD2-CD2 4.39Å; W421-Y428 AromaticContact CD2-CE2 3.99Å; W421-Y428 HydrophobicContact CD2-CE2 3.99Å; W421-Y428 AromaticContact CE3-CD1 3.95Å; W421-Y428 HydrophobicContact CE3-CD1 3.95Å; W421-Y428 AromaticContact CE3-CD2 3.81Å; W421-Y428 HydrophobicContact CE3-CD2 3.81Å; W421-Y428 AromaticContact CE3-CE1 3.63Å; W421-Y428 HydrophobicContact CE3-CE1 3.63Å; W421-Y428 AromaticContact CE3-CE2 3.51Å; W421-Y428 HydrophobicContact CE3-CE2 3.51Å; W421-Y428 HydrophobicContact CE3-CG 4.02Å; W421-Y428 AromaticContact CE3-CZ 3.39Å; W421-Y428 HydrophobicContact CG-CD2 4.34Å; W421-Y428 HydrophobicContact CG-CE2 4.02Å; W421-Y428 HydrophobicContact CZ3-CD1 4.32Å; W421-Y428 AromaticContact CZ3-CE1 3.86Å; W421-Y428 HydrophobicContact CZ3-CE1 3.86Å; W421-Y428 HydrophobicContact CZ3-CE2 4.49Å; W421-Y428 AromaticContact CZ3-CZ 3.95Å; N424-Y428 PolarHBondContact ND2-OH 2.76Å; K426-Y428 HydrophobicContact CB-CE2 3.98Å; K426-Y428 WeakPolarHBondContact O-CD2 3.39Å; Y428-Y435 AromaticContact CD1-CD2 3.79Å; Y428-Y435 HydrophobicContact CD1-CD2 3.79Å; Y428-Y435 AromaticContact CD1-CE2 3.85Å; Y428-Y435 HydrophobicContact CD1-CE2 3.85Å; Y428-Y435 HydrophobicContact CE1-CD2 4.31Å; Y428-Y435 AromaticContact CE1-CE2 3.89Å; Y428-Y435 HydrophobicContact CE1-CE2 3.89Å; Y428-Y436 WeakPolarHBondContact CA-O 3.37Å; Y428-R437 HydrophobicContact CD2-CG 4.44Å; Y428-R437 HydrophobicContact CE1-CB 4.22Å; Y428-R437 HydrophobicContact CE1-CG 4.08Å; Y428-R437 HydrophobicContact CE2-CG 3.86Å; Y428-R437 WeakPolarHBondContact OH-CD 3.13Å; Y428-W456 AromaticContact CD1-CZ2 3.68Å; Y428-W456 HydrophobicContact CD1-CZ2 3.68Å; Y428-W456 HydrophobicContact CE1-CZ2 4.17Å; Y428-W456 HydrophobicContact CG-CZ2 4.28Å
429	F	98.1	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137	176.8	-63	-68.1	0	0	0	110.6	Y372 F382 L406 L410 I415 A418 T427 Y435 Y436 F438	Y372-F429 HydrophobicContact CD1-CE1 4.44Å; Y372-F429 AromaticContact CE1-CE1 3.78Å; Y372-F429 HydrophobicContact CE1-CE1 3.78Å; Y372-F429 HydrophobicContact CE1-CZ 4.1Å; F382-F429 AromaticContact CE2-CE1 3.82Å; F382-F429 HydrophobicContact CE2-CE1 3.82Å; F382-F429 HydrophobicContact CZ-CD1 4.34Å; F382-F429 AromaticContact CZ-CE1 3.53Å; F382-F429 HydrophobicContact CZ-CE1 3.53Å; F382-F429 HydrophobicContact CZ-CZ 4.05Å; L406-F429 HydrophobicContact CD2-CE2 4.41Å; L406-F429 HydrophobicContact CD2-CZ 3.91Å; L410-F429 HydrophobicContact CD1-CE2 4.28Å; L410-F429 HydrophobicContact CD2-CD2 3.35Å; L410-F429 HydrophobicContact CD2-CE2 3.77Å; L410-F429 HydrophobicContact CD2-CG 4.21Å; I415-F429 HydrophobicContact CD1-CB 4.19Å; I415-F429 HydrophobicContact CD1-CD1 4.34Å; I415-F429 HydrophobicContact CD1-CG 4.34Å; I415-F429 HydrophobicContact CG1-CD1 4.41Å; I415-F429 HydrophobicContact CG2-CB 4.26Å; I415-F429 HydrophobicContact CG2-CD1 3.86Å; A418-F429 HydrophobicContact CB-CD1 3.66Å; A418-F429 HydrophobicContact CB-CE1 3.74Å; T427-F429 HydrophobicContact CG2-CD1 4.3Å; T427-F429 HydrophobicContact CG2-CD2 4.27Å; T427-F429 HydrophobicContact CG2-CE1 3.72Å; T427-F429 HydrophobicContact CG2-CE2 3.71Å; T427-F429 HydrophobicContact CG2-CZ 3.4Å; T427-F429 VanDerWaalsContact CG2-CZ 3.4Å; F429-Y435 CarbonylContact O-C 3.59Å; F429-Y435 WeakPolarHBondContact O-CA 3.41Å; F429-Y436 PolarHBondContact N-O 2.69Å; F429-Y436 PolarHBondContact O-N 2.96Å; F429-F438 HydrophobicContact CD2-CB 3.79Å; F429-F438 HydrophobicContact CD2-CG 4.3Å; F429-F438 HydrophobicContact CE2-CB 3.59Å; F429-F438 AromaticContact CE2-CD1 3.81Å; F429-F438 HydrophobicContact CE2-CD1 3.81Å; F429-F438 HydrophobicContact CE2-CD2 4.41Å; F429-F438 AromaticContact CE2-CG 3.71Å; F429-F438 HydrophobicContact CE2-CG 3.71Å
430	F	97.9	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.4	-179.3	-59.8	-92.7	0	0	0	110.1	D416 A417 L419 Y435 I453 W456 I459 P463 F477	D416-F430 PolarHBondContact N-O 3.11Å; A417-F430 HydrophobicContact CB-CB 4.24Å; A417-F430 HydrophobicContact CB-CD2 4.13Å; A417-F430 PolarHBondContact N-O 3.37Å; A417-F430 PolarHBondContact O-N 3.38Å; L419-F430 HydrophobicContact CB-CE2 4.22Å; F430-Y435 HydrophobicContact CE1-CG 4.4Å; F430-I453 HydrophobicContact CD1-CD1 3.74Å; F430-I453 HydrophobicContact CD1-CG1 4.11Å; F430-I453 HydrophobicContact CE1-CD1 4.36Å; F430-I453 HydrophobicContact CE1-CG1 4.37Å; F430-W456 HydrophobicContact CE1-CD2 4.24Å; F430-W456 AromaticContact CE1-CE2 3.7Å; F430-W456 HydrophobicContact CE1-CG 4.46Å; F430-W456 AromaticContact CE1-CZ2 3.96Å; F430-W456 HydrophobicContact CE1-CZ2 3.96Å; F430-W456 AromaticContact CE1-NE1 3.67Å; F430-W456 HydrophobicContact CZ-CD2 4.35Å; F430-W456 AromaticContact CZ-CE2 3.7Å; F430-W456 AromaticContact CZ-CH2 3.92Å; F430-W456 HydrophobicContact CZ-CH2 3.92Å; F430-W456 AromaticContact CZ-CZ2 3.45Å; F430-W456 HydrophobicContact CZ-CZ2 3.45Å; F430-W456 VanDerWaalsContact CZ-CZ2 3.45Å; F430-I459 HydrophobicContact CE1-CD1 4.15Å; F430-P463 HydrophobicContact CB-CG 4.03Å; F430-P463 HydrophobicContact CD1-CG 4.46Å; F430-P463 HydrophobicContact CG-CG 4.16Å; F430-F477 HydrophobicContact CD2-CE1 4.4Å; F430-F477 AromaticContact CE1-CE1 3.95Å; F430-F477 HydrophobicContact CE1-CE1 3.95Å; F430-F477 HydrophobicContact CE1-CZ 4.23Å; F430-F477 AromaticContact CE2-CE1 3.79Å; F430-F477 HydrophobicContact CE2-CE1 3.79Å; F430-F477 HydrophobicContact CE2-CZ 4.31Å; F430-F477 AromaticContact CZ-CE1 3.52Å; F430-F477 HydrophobicContact CZ-CE1 3.52Å; F430-F477 AromaticContact CZ-CZ 3.72Å; F430-F477 HydrophobicContact CZ-CZ 3.72Å
431	R	97.3	Very high	94.6	Very high	60 Å²	60	40.8 Å²	40.8	23%	0.226	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	115.7	177.3	-175.7	59.9	-177	119.3	10	110.3	P411 D413 K414 D416 N433 K434 Y436	P411-R431 HydrophobicContact CB-CG 4.13Å; P411-R431 HydrophobicContact CG-CB 4.13Å; P411-R431 HydrophobicContact CG-CG 4.17Å; D413-R431 IonicContact OD1-NE 3.83Å; D413-R431 PolarHBondContact OD1-NE 3.12Å; D413-R431 IonicContact OD2-CZ 2.81Å; D413-R431 IonicContact OD2-NE 3.43Å; D413-R431 PolarHBondContact OD2-NE 2.97Å; D413-R431 IonicContact OD2-NH2 2.66Å; D413-R431 PolarHBondContact OD2-NH2 3.26Å; K414-R431 VanDerWaalsContact CE-CZ 3.48Å; K414-R431 WeakPolarHBondContact O-CD 3.21Å; D416-R431 IonicContact OD1-CZ 3.34Å; D416-R431 IonicContact OD1-NH1 3.18Å; D416-R431 PolarHBondContact OD1-NH1 3.42Å; D416-R431 WeakPolarHBondContact OD2-CA 3.25Å; D416-R431 IonicContact OD2-NH1 3.47Å; D416-R431 PolarHBondContact OD2-NH1 3.28Å; R431-N433 PolarHBondContact O-N 3.23Å; R431-K434 PolarHBondContact N-O 3.16Å; R431-K434 PolarHBondContact O-N 2.88Å; R431-Y436 HydrophobicContact CB-CE2 4.15Å
432	G	96.1	Very high	94.8	Very high	23 Å²	23	45.3 Å²	45.3	24%	0.237	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	-125.9	-175	0	0	0	0	0	112	D416 S462	D416-G432 PolarHBondContact OD2-N 3Å; G432-S462 VanDerWaalsContact CA-OG 3.23Å; G432-S462 WeakPolarHBondContact CA-OG 3.19Å; G432-S462 PolarHBondContact N-OG 2.7Å; G432-S462 PolarHBondContact O-N 3.45Å
433	N	96.3	Very high	95.2	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	15.5	174.4	67.2	-0.3	0	0	0	113.6	R431 N452 I453 E461	R431-N433 PolarHBondContact O-N 3.23Å; N433-N452 WeakPolarHBondContact O-CA 3.26Å; N433-I453 HydrophobicContact CB-CG2 4.38Å; N433-I453 PolarHBondContact O-N 2.92Å; N433-E461 HydrophobicContact CB-CG 4.33Å; N433-E461 WeakPolarHBondContact CB-OE1 3.45Å
434	K	97.3	Very high	95.7	Very high	98 Å²	98	44.2 Å²	44.2	43%	0.426	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	154	-178.9	-70.6	-179.9	-176.2	-179.6	0	112	R431 Y436 P450 K451	R431-K434 PolarHBondContact N-O 3.16Å; R431-K434 PolarHBondContact O-N 2.88Å; K434-Y436 HydrophobicContact CB-CE2 4.11Å; K434-P450 HydrophobicContact CB-CB 4.1Å; K434-P450 HydrophobicContact CD-CB 4.11Å; K434-P450 HydrophobicContact CD-CG 4Å; K434-P450 HydrophobicContact CG-CB 4.4Å; K434-K451 CarbonylContact C-O 3.57Å; K434-K451 WeakPolarHBondContact CA-O 3.48Å
435	Y	97.4	Very high	96.1	Very high	11 Å²	11	42 Å²	42	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.2	168.4	80	-76.2	0	0	0	111.7	Y428 F429 F430 Y449 P450 K451 N452 V455 W456	Y428-Y435 AromaticContact CD1-CD2 3.79Å; Y428-Y435 HydrophobicContact CD1-CD2 3.79Å; Y428-Y435 AromaticContact CD1-CE2 3.85Å; Y428-Y435 HydrophobicContact CD1-CE2 3.85Å; Y428-Y435 HydrophobicContact CE1-CD2 4.31Å; Y428-Y435 AromaticContact CE1-CE2 3.89Å; Y428-Y435 HydrophobicContact CE1-CE2 3.89Å; F429-Y435 CarbonylContact O-C 3.59Å; F429-Y435 WeakPolarHBondContact O-CA 3.41Å; F430-Y435 HydrophobicContact CE1-CG 4.4Å; Y435-Y449 HydrophobicContact CD2-CE1 4.21Å; Y435-Y449 HydrophobicContact CE2-CD1 4.27Å; Y435-Y449 AromaticContact CE2-CE1 3.55Å; Y435-Y449 HydrophobicContact CE2-CE1 3.55Å; Y435-Y449 AromaticContact CZ-CE1 3.84Å; Y435-P450 CarbonylContact O-C 3.59Å; Y435-P450 VanDerWaalsContact O-CA 3.26Å; Y435-P450 WeakPolarHBondContact O-CA 3.45Å; Y435-P450 WeakPolarHBondContact O-CB 3.27Å; Y435-K451 HydrophobicContact CD1-CB 4.14Å; Y435-K451 VanDerWaalsContact CD1-O 3.3Å; Y435-K451 WeakPolarHBondContact CD1-O 3.23Å; Y435-K451 HydrophobicContact CE1-CB 3.46Å; Y435-K451 VanDerWaalsContact CE1-CB 3.46Å; Y435-K451 PolarHBondContact N-O 3.05Å; Y435-K451 PolarHBondContact O-N 2.91Å; Y435-N452 VanDerWaalsContact CE1-O 3.32Å; Y435-N452 WeakPolarHBondContact CE1-O 3.44Å; Y435-V455 HydrophobicContact CE1-CB 4Å; Y435-V455 HydrophobicContact CE1-CG2 4.2Å; Y435-V455 WeakPolarHBondContact OH-CG1 3.13Å; Y435-W456 AromaticContact CD1-CD1 3.94Å; Y435-W456 AromaticContact CD1-NE1 3.77Å; Y435-W456 AromaticContact CD2-NE1 3.36Å; Y435-W456 AromaticContact CE1-CD1 3.91Å; Y435-W456 AromaticContact CE1-NE1 3.79Å; Y435-W456 AromaticContact CE2-NE1 3.35Å; Y435-W456 VanDerWaalsContact CE2-NE1 3.35Å; Y435-W456 AromaticContact CG-NE1 3.56Å; Y435-W456 AromaticContact CZ-NE1 3.59Å
436	Y	97.9	Very high	96.4	Very high	26 Å²	26	42.7 Å²	42.7	10%	0.102	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.5	-170.9	-58.9	-110.7	0	0	0	108.2	G409 P411 Y428 F429 R431 K434 V445 P450	G409-Y436 WeakPolarHBondContact O-CD1 3.49Å; G409-Y436 WeakPolarHBondContact O-CE1 3.36Å; P411-Y436 HydrophobicContact CG-CE2 4.18Å; Y428-Y436 WeakPolarHBondContact CA-O 3.37Å; F429-Y436 PolarHBondContact N-O 2.69Å; F429-Y436 PolarHBondContact O-N 2.96Å; R431-Y436 HydrophobicContact CB-CE2 4.15Å; K434-Y436 HydrophobicContact CB-CE2 4.11Å; Y436-V445 HydrophobicContact CD1-CG1 4.24Å; Y436-V445 HydrophobicContact CD1-CG2 4.19Å; Y436-P450 HydrophobicContact CD1-CB 3.78Å; Y436-P450 HydrophobicContact CD1-CG 4.2Å; Y436-P450 HydrophobicContact CD2-CB 4.15Å; Y436-P450 HydrophobicContact CE1-CB 3.6Å; Y436-P450 HydrophobicContact CE1-CG 3.64Å; Y436-P450 HydrophobicContact CE2-CB 3.93Å; Y436-P450 HydrophobicContact CG-CB 4.05Å
437	R	97.4	Very high	96.3	Very high	70 Å²	70	46.9 Å²	46.9	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.1	170.3	-169.8	174.7	75.2	-162.9	2.4	108.5	K426 Y428 V445 D446 Y449	K426-R437 HydrophobicContact CB-CG 3.76Å; K426-R437 HydrophobicContact CG-CG 4.16Å; Y428-R437 HydrophobicContact CD2-CG 4.44Å; Y428-R437 HydrophobicContact CE1-CB 4.22Å; Y428-R437 HydrophobicContact CE1-CG 4.08Å; Y428-R437 HydrophobicContact CE2-CG 3.86Å; Y428-R437 WeakPolarHBondContact OH-CD 3.13Å; R437-V445 WeakPolarHBondContact O-CA 3.22Å; R437-D446 IonicContact CZ-OD2 3.78Å; R437-D446 IonicContact NE-OD2 3.2Å; R437-D446 PolarHBondContact NE-OD2 3.18Å; R437-D446 IonicContact NH2-OD2 3.53Å; R437-D446 PolarHBondContact NH2-OD2 3.17Å; R437-D446 PolarHBondContact O-N 2.96Å; R437-Y449 HydrophobicContact CB-CD1 3.82Å; R437-Y449 HydrophobicContact CB-CD2 3.82Å; R437-Y449 HydrophobicContact CB-CE1 3.6Å; R437-Y449 HydrophobicContact CB-CE2 3.6Å; R437-Y449 HydrophobicContact CB-CG 3.92Å; R437-Y449 VanDerWaalsContact CB-CZ 3.48Å; R437-Y449 HydrophobicContact CG-CE2 4.46Å; R437-Y449 PolarHBondContact NH1-OH 3.32Å
438	F	97.6	Very high	96.2	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.4	-175.3	-175.6	-106.1	0	0	0	110.9	L406 L410 T427 F429 E440 R443 V445	L406-F438 HydrophobicContact CG-CE1 4.36Å; L406-F438 HydrophobicContact CG-CZ 4.15Å; L410-F438 HydrophobicContact CD1-CD2 4.02Å; L410-F438 HydrophobicContact CD1-CE2 3.78Å; L410-F438 HydrophobicContact CD1-CZ 4.3Å; L410-F438 HydrophobicContact CD2-CB 4.43Å; L410-F438 HydrophobicContact CD2-CD2 3.86Å; L410-F438 HydrophobicContact CD2-CE2 4.44Å; L410-F438 HydrophobicContact CD2-CG 4.35Å; L410-F438 HydrophobicContact CG-CD2 3.97Å; L410-F438 HydrophobicContact CG-CE2 4.07Å; T427-F438 PolarHBondContact N-O 3.09Å; T427-F438 WeakPolarHBondContact O-CB 3.42Å; T427-F438 PolarHBondContact O-N 3.33Å; F429-F438 HydrophobicContact CD2-CB 3.79Å; F429-F438 HydrophobicContact CD2-CG 4.3Å; F429-F438 HydrophobicContact CE2-CB 3.59Å; F429-F438 AromaticContact CE2-CD1 3.81Å; F429-F438 HydrophobicContact CE2-CD1 3.81Å; F429-F438 HydrophobicContact CE2-CD2 4.41Å; F429-F438 AromaticContact CE2-CG 3.71Å; F429-F438 HydrophobicContact CE2-CG 3.71Å; F438-E440 HydrophobicContact CD1-CG 4.4Å; F438-E440 WeakPolarHBondContact CD1-OE1 3.19Å; F438-R443 HydrophobicContact CZ-CB 4.4Å; F438-V445 HydrophobicContact CD2-CG2 3.98Å
439	N	95.6	Very high	96.2	Very high	16 Å²	16	53.6 Å²	53.6	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	101.6	175	-169.6	-6.9	0	0	0	109.2	K426 E441 L442 R443 A444	K426-N439 HydrophobicContact CD-CB 4.23Å; K426-N439 VanDerWaalsContact NZ-CG 3.28Å; K426-N439 PolarHBondContact NZ-ND2 3.34Å; K426-N439 PolarHBondContact NZ-OD1 3.41Å; N439-E441 PolarHBondContact O-N 3.14Å; N439-E441 PolarHBondContact OD1-N 3.2Å; N439-L442 HydrophobicContact CB-CB 4.27Å; N439-L442 WeakPolarHBondContact ND2-CD1 3.31Å; N439-L442 WeakPolarHBondContact ND2-CG 3.09Å; N439-L442 PolarHBondContact O-N 3.17Å; N439-R443 WeakPolarHBondContact O-CA 3.46Å; N439-R443 PolarHBondContact O-N 3.45Å; N439-A444 PolarHBondContact N-O 3.09Å; N439-A444 PolarHBondContact O-N 3.14Å
440	E	92.9	Very high	96.1	Very high	30 Å²	30	56.2 Å²	56.2	14%	0.14	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-39.4	178.5	-65.6	-72.5	145.9	0	0	112.6	Y372 R374 T427 F438 R443	Y372-E440 PolarHBondContact OH-OE1 3.2Å; R374-E440 IonicContact CZ-OE2 3.68Å; R374-E440 IonicContact NE-OE2 2.79Å; R374-E440 PolarHBondContact NE-OE2 3.3Å; R374-E440 IonicContact NH2-OE2 3.29Å; T427-E440 WeakPolarHBondContact CB-OE1 3.33Å; T427-E440 PolarHBondContact OG1-OE1 2.9Å; F438-E440 HydrophobicContact CD1-CG 4.4Å; F438-E440 WeakPolarHBondContact CD1-OE1 3.19Å; E440-R443 WeakPolarHBondContact O-CG 3.26Å; E440-R443 PolarHBondContact O-N 2.96Å
441	E	92.1	Very high	96.1	Very high	134 Å²	134	59.2 Å²	59.2	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-35.8	-176.5	-65.8	163.9	-177.8	0	0	112.2	K375 N439	K375-E441 IonicContact NZ-OE1 2.73Å; K375-E441 PolarHBondContact NZ-OE1 2.74Å; N439-E441 PolarHBondContact O-N 3.14Å; N439-E441 PolarHBondContact OD1-N 3.2Å
442	L	94.3	Very high	96.1	Very high	118 Å²	118	59.6 Å²	59.6	62%	0.618	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.8	177.6	-62	-177.6	0	0	0	113.5	N439 A444	N439-L442 HydrophobicContact CB-CB 4.27Å; N439-L442 WeakPolarHBondContact ND2-CD1 3.31Å; N439-L442 WeakPolarHBondContact ND2-CG 3.09Å; N439-L442 PolarHBondContact O-N 3.17Å; L442-A444 HydrophobicContact CB-CB 4.42Å; L442-A444 PolarHBondContact O-N 3.27Å
443	R	95.3	Very high	96.1	Very high	120 Å²	120	58.7 Å²	58.7	45%	0.453	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	48.3	-170.5	-60.8	-176.8	70.7	137.6	-2.8	112.3	E405 L406 G407 R408 F438 N439 E440	E405-R443 PolarHBondContact O-NH2 3.06Å; L406-R443 PolarHBondContact O-NE 2.63Å; L406-R443 PolarHBondContact O-NH2 2.75Å; G407-R443 CarbonylContact C-O 3.5Å; G407-R443 WeakPolarHBondContact CA-O 2.81Å; R408-R443 PolarHBondContact N-O 2.86Å; F438-R443 HydrophobicContact CZ-CB 4.4Å; N439-R443 WeakPolarHBondContact O-CA 3.46Å; N439-R443 PolarHBondContact O-N 3.45Å; E440-R443 WeakPolarHBondContact O-CG 3.26Å; E440-R443 PolarHBondContact O-N 2.96Å
444	A	96.9	Very high	96	Very high	16 Å²	16	63 Å²	63	13%	0.132	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	149.1	-176.5	0	0	0	0	0	111.9	R408 N439 L442	R408-A444 HydrophobicContact CB-CB 4.49Å; R408-A444 WeakPolarHBondContact O-CA 3.39Å; N439-A444 PolarHBondContact N-O 3.09Å; N439-A444 PolarHBondContact O-N 3.14Å; L442-A444 HydrophobicContact CB-CB 4.42Å; L442-A444 PolarHBondContact O-N 3.27Å
445	V	97.6	Very high	95.8	Very high	21 Å²	21	62 Å²	62	13%	0.127	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137.7	165.3	174.2	0	0	0	0	109.5	R408 L410 Y436 R437 F438 Y449	R408-V445 PolarHBondContact O-N 2.55Å; L410-V445 HydrophobicContact CD2-CG2 3.6Å; L410-V445 HydrophobicContact CG-CG2 3.98Å; Y436-V445 HydrophobicContact CD1-CG1 4.24Å; Y436-V445 HydrophobicContact CD1-CG2 4.19Å; R437-V445 WeakPolarHBondContact O-CA 3.22Å; F438-V445 HydrophobicContact CD2-CG2 3.98Å; V445-Y449 VanDerWaalsContact CG1-CB 3.46Å
446	D	97.1	Very high	95.6	Very high	33 Å²	33	61.8 Å²	61.8	18%	0.176	31%	0.31	C	S	.	.			trans	-65.7	149	178.6	-74.7	-12.7	0	0	0	111.7	R437 E448 Y449	R437-D446 IonicContact CZ-OD2 3.78Å; R437-D446 IonicContact NE-OD2 3.2Å; R437-D446 PolarHBondContact NE-OD2 3.18Å; R437-D446 IonicContact NH2-OD2 3.53Å; R437-D446 PolarHBondContact NH2-OD2 3.17Å; R437-D446 PolarHBondContact O-N 2.96Å; D446-E448 PolarHBondContact O-N 3.07Å; D446-Y449 HydrophobicContact CB-CD2 3.78Å; D446-Y449 HydrophobicContact CB-CE2 4.21Å; D446-Y449 WeakPolarHBondContact O-CB 3.2Å; D446-Y449 PolarHBondContact O-N 3.49Å
447	S	93.9	Very high	95.6	Very high	128 Å²	128	65.1 Å²	65.1	90%	0.895	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.2	-168.4	51.8	0	0	0	0	116.6	Y449	S447-Y449 VanDerWaalsContact C-N 3.32Å
448	E	94.6	Very high	95.4	Very high	123 Å²	123	64.1 Å²	64.1	58%	0.575	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	5.6	177.9	-56.4	-172.1	160.5	0	0	114.1	D446 K451	D446-E448 PolarHBondContact O-N 3.07Å; E448-K451 VanDerWaalsContact CB-CE 3.48Å; E448-K451 WeakPolarHBondContact O-CE 3.38Å; E448-K451 WeakPolarHBondContact O-CG 3.35Å; E448-K451 IonicContact OE2-NZ 2.91Å; E448-K451 PolarHBondContact OE2-NZ 3.37Å
449	Y	96.7	Very high	95.4	Very high	30 Å²	30	65 Å²	65	12%	0.118	34%	0.342	C	S	.	.			trans	-118	152.4	-172.7	-68.4	-93.2	0	0	0	111.7	Y435 R437 V445 D446 S447 K451	Y435-Y449 HydrophobicContact CD2-CE1 4.21Å; Y435-Y449 HydrophobicContact CE2-CD1 4.27Å; Y435-Y449 AromaticContact CE2-CE1 3.55Å; Y435-Y449 HydrophobicContact CE2-CE1 3.55Å; Y435-Y449 AromaticContact CZ-CE1 3.84Å; R437-Y449 HydrophobicContact CB-CD1 3.82Å; R437-Y449 HydrophobicContact CB-CD2 3.82Å; R437-Y449 HydrophobicContact CB-CE1 3.6Å; R437-Y449 HydrophobicContact CB-CE2 3.6Å; R437-Y449 HydrophobicContact CB-CG 3.92Å; R437-Y449 VanDerWaalsContact CB-CZ 3.48Å; R437-Y449 HydrophobicContact CG-CE2 4.46Å; R437-Y449 PolarHBondContact NH1-OH 3.32Å; V445-Y449 VanDerWaalsContact CG1-CB 3.46Å; D446-Y449 HydrophobicContact CB-CD2 3.78Å; D446-Y449 HydrophobicContact CB-CE2 4.21Å; D446-Y449 WeakPolarHBondContact O-CB 3.2Å; D446-Y449 PolarHBondContact O-N 3.49Å; S447-Y449 VanDerWaalsContact C-N 3.32Å; Y449-K451 HydrophobicContact CD1-CB 4.2Å; Y449-K451 HydrophobicContact CD1-CD 4.28Å; Y449-K451 HydrophobicContact CD1-CG 3.86Å; Y449-K451 HydrophobicContact CE1-CB 4.28Å; Y449-K451 HydrophobicContact CE1-CD 3.86Å; Y449-K451 HydrophobicContact CE1-CG 3.94Å; Y449-K451 HydrophobicContact CG-CG 4.4Å
450	P	96.9	Very high	95.4	Very high	54 Å²	54	65.1 Å²	65.1	35%	0.351	34%	0.344	S	S	.	.	S	Bend	cis	-74.4	145.7	5.9	27.8	-34.6	0	0	0	115.2	K434 Y435 Y436	K434-P450 HydrophobicContact CB-CB 4.1Å; K434-P450 HydrophobicContact CD-CB 4.11Å; K434-P450 HydrophobicContact CD-CG 4Å; K434-P450 HydrophobicContact CG-CB 4.4Å; Y435-P450 CarbonylContact O-C 3.59Å; Y435-P450 VanDerWaalsContact O-CA 3.26Å; Y435-P450 WeakPolarHBondContact O-CA 3.45Å; Y435-P450 WeakPolarHBondContact O-CB 3.27Å; Y436-P450 HydrophobicContact CD1-CB 3.78Å; Y436-P450 HydrophobicContact CD1-CG 4.2Å; Y436-P450 HydrophobicContact CD2-CB 4.15Å; Y436-P450 HydrophobicContact CE1-CB 3.6Å; Y436-P450 HydrophobicContact CE1-CG 3.64Å; Y436-P450 HydrophobicContact CE2-CB 3.93Å; Y436-P450 HydrophobicContact CG-CB 4.05Å
451	K	97.2	Very high	95.5	Very high	64 Å²	64	68 Å²	68	28%	0.278	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	161.2	170.9	-65.8	-171.7	-176.3	-174.1	0	110.4	K434 Y435 E448 Y449	K434-K451 CarbonylContact C-O 3.57Å; K434-K451 WeakPolarHBondContact CA-O 3.48Å; Y435-K451 HydrophobicContact CD1-CB 4.14Å; Y435-K451 VanDerWaalsContact CD1-O 3.3Å; Y435-K451 WeakPolarHBondContact CD1-O 3.23Å; Y435-K451 HydrophobicContact CE1-CB 3.46Å; Y435-K451 VanDerWaalsContact CE1-CB 3.46Å; Y435-K451 PolarHBondContact N-O 3.05Å; Y435-K451 PolarHBondContact O-N 2.91Å; E448-K451 VanDerWaalsContact CB-CE 3.48Å; E448-K451 WeakPolarHBondContact O-CE 3.38Å; E448-K451 WeakPolarHBondContact O-CG 3.35Å; E448-K451 IonicContact OE2-NZ 2.91Å; E448-K451 PolarHBondContact OE2-NZ 3.37Å; Y449-K451 HydrophobicContact CD1-CB 4.2Å; Y449-K451 HydrophobicContact CD1-CD 4.28Å; Y449-K451 HydrophobicContact CD1-CG 3.86Å; Y449-K451 HydrophobicContact CE1-CB 4.28Å; Y449-K451 HydrophobicContact CE1-CD 3.86Å; Y449-K451 HydrophobicContact CE1-CG 3.94Å; Y449-K451 HydrophobicContact CG-CG 4.4Å
452	N	97.1	Very high	95.6	Very high	68 Å²	68	63.2 Å²	63.2	36%	0.364	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.4	177.1	-171	-72.3	0	0	0	110.6	N433 Y435 K454 V455	N433-N452 WeakPolarHBondContact O-CA 3.26Å; Y435-N452 VanDerWaalsContact CE1-O 3.32Å; Y435-N452 WeakPolarHBondContact CE1-O 3.44Å; N452-K454 PolarHBondContact O-N 3.38Å; N452-K454 VanDerWaalsContact O-N 3.09Å; N452-K454 VanDerWaalsContact OD1-CB 3.26Å; N452-K454 WeakPolarHBondContact OD1-CB 3.31Å; N452-K454 WeakPolarHBondContact OD1-CG 3.47Å; N452-K454 PolarHBondContact OD1-N 2.87Å; N452-V455 WeakPolarHBondContact O-CG2 3.2Å; N452-V455 PolarHBondContact O-N 3.27Å
453	I	95.6	Very high	95.8	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.015	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-60.3	-21.1	-176.9	-161.8	170.4	0	0	0	113.4	F430 N433 V455 W456 I459 E461	F430-I453 HydrophobicContact CD1-CD1 3.74Å; F430-I453 HydrophobicContact CD1-CG1 4.11Å; F430-I453 HydrophobicContact CE1-CD1 4.36Å; F430-I453 HydrophobicContact CE1-CG1 4.37Å; N433-I453 HydrophobicContact CB-CG2 4.38Å; N433-I453 PolarHBondContact O-N 2.92Å; I453-V455 PolarHBondContact O-N 2.88Å; I453-W456 WeakPolarHBondContact O-CB 3.23Å; I453-W456 PolarHBondContact O-N 3.26Å; I453-I459 HydrophobicContact CD1-CD1 3.85Å; I453-I459 HydrophobicContact CD1-CG1 4.19Å; I453-I459 HydrophobicContact CG1-CD1 3.8Å; I453-I459 HydrophobicContact CG1-CG1 4.07Å; I453-E461 HydrophobicContact CG2-CG 3.99Å
454	K	94.5	Very high	95.8	Very high	158 Å²	158	56.2 Å²	56.2	69%	0.687	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-57.5	-15.3	175.9	-70.7	174.6	-179.9	-174.5	0	115.3	N452 W456	N452-K454 PolarHBondContact O-N 3.38Å; N452-K454 VanDerWaalsContact O-N 3.09Å; N452-K454 VanDerWaalsContact OD1-CB 3.26Å; N452-K454 WeakPolarHBondContact OD1-CB 3.31Å; N452-K454 WeakPolarHBondContact OD1-CG 3.47Å; N452-K454 PolarHBondContact OD1-N 2.87Å; K454-W456 PolarHBondContact O-N 3.28Å
455	V	93.2	Very high	95.8	Very high	78 Å²	78	55.5 Å²	55.5	47%	0.473	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60	-29	168.2	177.6	0	0	0	0	111.5	Y435 N452 I453 E457	Y435-V455 HydrophobicContact CE1-CB 4Å; Y435-V455 HydrophobicContact CE1-CG2 4.2Å; Y435-V455 WeakPolarHBondContact OH-CG1 3.13Å; N452-V455 WeakPolarHBondContact O-CG2 3.2Å; N452-V455 PolarHBondContact O-N 3.27Å; I453-V455 PolarHBondContact O-N 2.88Å; V455-E457 PolarHBondContact O-N 2.84Å
456	W	94.1	Very high	95.7	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.027	29%	0.294	C	S	.	.	S	Bend	trans	-87.4	78.6	171.2	-59.8	80.9	0	0	0	109.1	L419 W421 Y428 F430 Y435 I453 K454 G458 I459 T475 F477 F486	L419-W456 HydrophobicContact CD2-CH2 3.8Å; L419-W456 HydrophobicContact CD2-CZ3 4.44Å; W421-W456 HydrophobicContact CD2-CH2 4.43Å; W421-W456 AromaticContact CE3-CH2 3.38Å; W421-W456 HydrophobicContact CE3-CH2 3.38Å; W421-W456 AromaticContact CE3-CZ2 3.81Å; W421-W456 HydrophobicContact CE3-CZ2 3.81Å; W421-W456 HydrophobicContact CE3-CZ3 4.3Å; W421-W456 AromaticContact CH2-CH2 3.77Å; W421-W456 HydrophobicContact CH2-CH2 3.77Å; W421-W456 HydrophobicContact CH2-CZ2 4.34Å; W421-W456 AromaticContact CH2-CZ3 3.94Å; W421-W456 HydrophobicContact CH2-CZ3 3.94Å; W421-W456 AromaticContact CZ3-CH2 3.01Å; W421-W456 HydrophobicContact CZ3-CH2 3.01Å; W421-W456 AromaticContact CZ3-CZ2 3.35Å; W421-W456 HydrophobicContact CZ3-CZ2 3.35Å; W421-W456 AromaticContact CZ3-CZ3 3.66Å; W421-W456 HydrophobicContact CZ3-CZ3 3.66Å; Y428-W456 AromaticContact CD1-CZ2 3.68Å; Y428-W456 HydrophobicContact CD1-CZ2 3.68Å; Y428-W456 HydrophobicContact CE1-CZ2 4.17Å; Y428-W456 HydrophobicContact CG-CZ2 4.28Å; F430-W456 HydrophobicContact CE1-CD2 4.24Å; F430-W456 AromaticContact CE1-CE2 3.7Å; F430-W456 HydrophobicContact CE1-CG 4.46Å; F430-W456 AromaticContact CE1-CZ2 3.96Å; F430-W456 HydrophobicContact CE1-CZ2 3.96Å; F430-W456 AromaticContact CE1-NE1 3.67Å; F430-W456 HydrophobicContact CZ-CD2 4.35Å; F430-W456 AromaticContact CZ-CE2 3.7Å; F430-W456 AromaticContact CZ-CH2 3.92Å; F430-W456 HydrophobicContact CZ-CH2 3.92Å; F430-W456 AromaticContact CZ-CZ2 3.45Å; F430-W456 HydrophobicContact CZ-CZ2 3.45Å; F430-W456 VanDerWaalsContact CZ-CZ2 3.45Å; Y435-W456 AromaticContact CD1-CD1 3.94Å; Y435-W456 AromaticContact CD1-NE1 3.77Å; Y435-W456 AromaticContact CD2-NE1 3.36Å; Y435-W456 AromaticContact CE1-CD1 3.91Å; Y435-W456 AromaticContact CE1-NE1 3.79Å; Y435-W456 AromaticContact CE2-NE1 3.35Å; Y435-W456 VanDerWaalsContact CE2-NE1 3.35Å; Y435-W456 AromaticContact CG-NE1 3.56Å; Y435-W456 AromaticContact CZ-NE1 3.59Å; I453-W456 WeakPolarHBondContact O-CB 3.23Å; I453-W456 PolarHBondContact O-N 3.26Å; K454-W456 PolarHBondContact O-N 3.28Å; W456-G458 PolarHBondContact O-N 3.5Å; W456-G458 VanDerWaalsContact O-N 3.09Å; W456-I459 HydrophobicContact CB-CB 4.5Å; W456-I459 HydrophobicContact CB-CD1 3.42Å; W456-I459 VanDerWaalsContact CB-CD1 3.42Å; W456-I459 HydrophobicContact CB-CG1 3.63Å; W456-I459 HydrophobicContact CB-CG2 4.15Å; W456-I459 HydrophobicContact CD2-CD1 4.22Å; W456-I459 HydrophobicContact CG-CD1 3.8Å; W456-I459 PolarHBondContact O-N 2.95Å; W456-T475 HydrophobicContact CZ3-CG2 4.42Å; W456-F477 HydrophobicContact CD2-CZ 4.24Å; W456-F477 AromaticContact CE3-CE2 3.79Å; W456-F477 HydrophobicContact CE3-CE2 3.79Å; W456-F477 AromaticContact CE3-CZ 3.62Å; W456-F477 HydrophobicContact CE3-CZ 3.62Å; W456-F477 HydrophobicContact CH2-CZ 4.06Å; W456-F477 AromaticContact CZ3-CE2 3.83Å; W456-F477 HydrophobicContact CZ3-CE2 3.83Å; W456-F477 AromaticContact CZ3-CZ 3.54Å; W456-F477 HydrophobicContact CZ3-CZ 3.54Å; W456-F486 HydrophobicContact CB-CE2 3.97Å; W456-F486 HydrophobicContact CB-CZ 4.23Å; W456-F486 HydrophobicContact CD2-CE1 4.41Å; W456-F486 HydrophobicContact CD2-CZ 4.24Å; W456-F486 AromaticContact CE3-CD1 3.69Å; W456-F486 HydrophobicContact CE3-CD1 3.69Å; W456-F486 HydrophobicContact CE3-CD2 4.3Å; W456-F486 AromaticContact CE3-CE1 3.39Å; W456-F486 HydrophobicContact CE3-CE1 3.39Å; W456-F486 HydrophobicContact CE3-CE2 4.05Å; W456-F486 HydrophobicContact CE3-CG 4.12Å; W456-F486 AromaticContact CE3-CZ 3.57Å; W456-F486 HydrophobicContact CE3-CZ 3.57Å; W456-F486 AromaticContact CZ3-CD1 3.83Å; W456-F486 HydrophobicContact CZ3-CD1 3.83Å; W456-F486 AromaticContact CZ3-CE1 3.72Å; W456-F486 HydrophobicContact CZ3-CE1 3.72Å; W456-F486 HydrophobicContact CZ3-CZ 4.35Å
457	E	96.2	Very high	95.6	Very high	95 Å²	95	53.8 Å²	53.8	44%	0.444	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-60.4	117.6	-167.1	-163.7	-166.2	172.6	0	0	112.3	V455 L491 K492 V493	V455-E457 PolarHBondContact O-N 2.84Å; E457-L491 PolarHBondContact N-O 3.45Å; E457-K492 HydrophobicContact CB-CB 4.28Å; E457-K492 HydrophobicContact CB-CG 4.05Å; E457-K492 HydrophobicContact CG-CG 4.26Å; E457-K492 CarbonylContact O-C 3.58Å; E457-K492 WeakPolarHBondContact O-CA 3.38Å; E457-K492 WeakPolarHBondContact OE1-CE 3.44Å; E457-K492 IonicContact OE1-NZ 2.64Å; E457-K492 PolarHBondContact OE1-NZ 3.16Å; E457-K492 WeakPolarHBondContact OE2-CD 3.32Å; E457-K492 VanDerWaalsContact OE2-CE 3.31Å; E457-K492 WeakPolarHBondContact OE2-CE 3.27Å; E457-K492 WeakPolarHBondContact OE2-CG 3.46Å; E457-K492 IonicContact OE2-NZ 2.91Å; E457-K492 PolarHBondContact OE2-NZ 3.26Å; E457-V493 PolarHBondContact O-N 2.81Å
458	G	94.6	Very high	95.6	Very high	49 Å²	49	48.4 Å²	48.4	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-5	176	0	0	0	0	0	116.5	W456 W484 V493	W456-G458 PolarHBondContact O-N 3.5Å; W456-G458 VanDerWaalsContact O-N 3.09Å; G458-W484 PolarHBondContact O-NE1 3.5Å; G458-V493 VanDerWaalsContact C-CG2 3.44Å
459	I	96.4	Very high	95.3	Very high	19 Å²	19	43 Å²	43	10%	0.097	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-79.1	153	173.4	82.6	170.9	0	0	0	110.7	F430 I453 W456 F477 F486 V493	F430-I459 HydrophobicContact CE1-CD1 4.15Å; I453-I459 HydrophobicContact CD1-CD1 3.85Å; I453-I459 HydrophobicContact CD1-CG1 4.19Å; I453-I459 HydrophobicContact CG1-CD1 3.8Å; I453-I459 HydrophobicContact CG1-CG1 4.07Å; W456-I459 HydrophobicContact CB-CB 4.5Å; W456-I459 HydrophobicContact CB-CD1 3.42Å; W456-I459 VanDerWaalsContact CB-CD1 3.42Å; W456-I459 HydrophobicContact CB-CG1 3.63Å; W456-I459 HydrophobicContact CB-CG2 4.15Å; W456-I459 HydrophobicContact CD2-CD1 4.22Å; W456-I459 HydrophobicContact CG-CD1 3.8Å; W456-I459 PolarHBondContact O-N 2.95Å; I459-F477 HydrophobicContact CB-CD2 4.3Å; I459-F477 HydrophobicContact CB-CG 4.45Å; I459-F477 HydrophobicContact CD1-CD1 4.04Å; I459-F477 HydrophobicContact CD1-CD2 4.29Å; I459-F477 HydrophobicContact CD1-CE1 3.72Å; I459-F477 HydrophobicContact CD1-CE2 3.99Å; I459-F477 HydrophobicContact CD1-CG 4.31Å; I459-F477 HydrophobicContact CD1-CZ 3.69Å; I459-F477 HydrophobicContact CG2-CD2 3.73Å; I459-F477 HydrophobicContact CG2-CE2 3.9Å; I459-F477 HydrophobicContact CG2-CG 4.36Å; I459-F486 HydrophobicContact CG2-CB 4.35Å; I459-F486 HydrophobicContact CG2-CD2 3.68Å; I459-F486 HydrophobicContact CG2-CE2 4.35Å; I459-F486 HydrophobicContact CG2-CG 4.31Å; I459-V493 HydrophobicContact CG2-CG2 3.65Å
460	P	95.6	Very high	94.7	Very high	20 Å²	20	48 Å²	48	13%	0.13	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-77.6	149.2	178.7	33.2	-35.9	0	0	0	111.8	P463 K479 W484	P460-P463 WeakPolarHBondContact O-CD 3.38Å; P460-K479 HydrophobicContact CB-CD 3.76Å; P460-K479 HydrophobicContact CG-CB 4.01Å; P460-K479 HydrophobicContact CG-CD 3.97Å; P460-W484 HydrophobicContact CB-CH2 4.26Å; P460-W484 HydrophobicContact CB-CZ2 4.07Å; P460-W484 HydrophobicContact CG-CD2 3.99Å; P460-W484 HydrophobicContact CG-CE3 3.87Å; P460-W484 HydrophobicContact CG-CH2 3.84Å; P460-W484 HydrophobicContact CG-CZ2 3.88Å; P460-W484 HydrophobicContact CG-CZ3 3.82Å
461	E	95.5	Very high	94.2	Very high	89 Å²	89	49.1 Å²	49.1	42%	0.416	27%	0.269	S	S	.	.	S	Bend	trans	-62.3	149.1	167.1	-54.6	-166.2	156.7	0	0	111.1	N433 I453 K479	N433-E461 HydrophobicContact CB-CG 4.33Å; N433-E461 WeakPolarHBondContact CB-OE1 3.45Å; I453-E461 HydrophobicContact CG2-CG 3.99Å; E461-K479 WeakPolarHBondContact O-CE 3.32Å; E461-K479 PolarHBondContact O-NZ 2.91Å
462	S	95.2	Very high	93.7	Very high	35 Å²	35	50.2 Å²	50.2	25%	0.245	28%	0.275	C	S	.	.	S	Bend	trans	40.7	66.4	-171.5	-71.7	0	0	0	0	113.4	D416 G432 K479	D416-S462 WeakPolarHBondContact OD2-CB 3.47Å; D416-S462 PolarHBondContact OD2-OG 2.71Å; G432-S462 VanDerWaalsContact CA-OG 3.23Å; G432-S462 WeakPolarHBondContact CA-OG 3.19Å; G432-S462 PolarHBondContact N-OG 2.7Å; G432-S462 PolarHBondContact O-N 3.45Å; S462-K479 WeakPolarHBondContact O-CD 3.21Å; S462-K479 WeakPolarHBondContact O-CE 3.38Å
463	P	97.1	Very high	93.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.			trans	-59.5	150.3	164.5	28.6	-33	0	0	0	109.4	D416 A417 F430 P460 F477	D416-P463 CarbonylContact C-O 3.58Å; D416-P463 VanDerWaalsContact C-O 3.24Å; D416-P463 WeakPolarHBondContact CB-O 3.46Å; D416-P463 VanDerWaalsContact O-O 3.04Å; A417-P463 HydrophobicContact CB-CB 4.24Å; A417-P463 HydrophobicContact CB-CG 3.87Å; F430-P463 HydrophobicContact CB-CG 4.03Å; F430-P463 HydrophobicContact CD1-CG 4.46Å; F430-P463 HydrophobicContact CG-CG 4.16Å; P460-P463 WeakPolarHBondContact O-CD 3.38Å; P463-F477 HydrophobicContact CB-CD1 3.94Å; P463-F477 HydrophobicContact CG-CD1 4.05Å; P463-F477 HydrophobicContact CG-CE1 4.48Å
464	R	96.1	Very high	93.4	Very high	91 Å²	91	50.7 Å²	50.7	34%	0.343	28%	0.278	S	S	.	.	S	Bend	trans	-98.7	-7.1	177.5	-80.9	-165.9	-175.8	170.6	3.2	113.8	N322 F323 D324 T325 Y478	N322-R464 PolarHBondContact OD1-NH1 3.18Å; F323-R464 WeakPolarHBondContact O-CD 3.37Å; F323-R464 PolarHBondContact O-NH1 3.41Å; D324-R464 WeakPolarHBondContact O-CB 3.29Å; D324-R464 WeakPolarHBondContact O-CD 3.13Å; T325-R464 VanDerWaalsContact CA-O 3.24Å; T325-R464 WeakPolarHBondContact CA-O 3.31Å; T325-R464 WeakPolarHBondContact CB-O 3.25Å; T325-R464 PolarHBondContact OG1-O 3.45Å; R464-Y478 HydrophobicContact CB-CD1 4.02Å; R464-Y478 HydrophobicContact CB-CE1 4.37Å; R464-Y478 PolarHBondContact N-O 2.88Å
465	G	95.9	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	147	178	0	0	0	0	0	109.7	F477 Y478	G465-F477 WeakPolarHBondContact O-CA 3.46Å; G465-Y478 PolarHBondContact N-O 3.03Å; G465-Y478 PolarHBondContact O-N 3.45Å
466	S	96.8	Very high	93.7	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	133.6	177.9	49	0	0	0	0	110.1	A417 A418 Y476	A417-S466 WeakPolarHBondContact CB-OG 3.32Å; A418-S466 PolarHBondContact N-OG 2.87Å; A418-S466 VanDerWaalsContact O-O 3.1Å; A418-S466 PolarHBondContact O-OG 2.92Å; S466-Y476 VanDerWaalsContact CA-O 3.28Å; S466-Y476 WeakPolarHBondContact CA-O 3.27Å
467	F	95.3	Very high	93.9	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.066	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.7	174.5	57.9	-91.3	0	0	0	111	V326 M328 M333 Y476 W505	V326-F467 HydrophobicContact CG1-CE1 4.03Å; M328-F467 HydrophobicContact CB-CB 3.62Å; M328-F467 HydrophobicContact CB-CD2 4.04Å; M328-F467 HydrophobicContact CB-CG 3.9Å; M328-F467 HydrophobicContact CE-CD2 3.79Å; M328-F467 HydrophobicContact CE-CE2 3.7Å; M328-F467 HydrophobicContact CE-CZ 4.37Å; M333-F467 HydrophobicContact CE-CZ 3.89Å; F467-Y476 HydrophobicContact CD2-CD2 4.18Å; F467-Y476 AromaticContact CE2-CD2 3.76Å; F467-Y476 HydrophobicContact CE2-CD2 3.76Å; F467-Y476 AromaticContact CE2-CG 3.96Å; F467-Y476 HydrophobicContact CE2-CG 3.96Å; F467-Y476 HydrophobicContact CZ-CD2 4.49Å; F467-Y476 HydrophobicContact CZ-CG 4.24Å; F467-Y476 PolarHBondContact N-O 3.5Å; F467-Y476 PolarHBondContact O-N 3.46Å; F467-W505 AromaticContact CE1-CH2 3.71Å; F467-W505 HydrophobicContact CE1-CH2 3.71Å; F467-W505 HydrophobicContact CE1-CZ2 4.16Å; F467-W505 HydrophobicContact CE1-CZ3 4.18Å; F467-W505 AromaticContact CZ-CH2 3.77Å; F467-W505 HydrophobicContact CZ-CH2 3.77Å; F467-W505 AromaticContact CZ-CZ2 3.72Å; F467-W505 HydrophobicContact CZ-CZ2 3.72Å; F467-W505 HydrophobicContact CZ-CZ3 4.4Å
468	M	92.8	Very high	93.9	Very high	15 Å²	15	36.3 Å²	36.3	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	144.3	174.3	-167.2	153	-66.7	0	0	110.1	L419 W421 M422 E472	L419-M468 HydrophobicContact CD1-CB 4.33Å; W421-M468 HydrophobicContact CB-CE 4.42Å; W421-M468 HydrophobicContact CD2-CE 4.44Å; W421-M468 HydrophobicContact CG-CE 3.9Å; M422-M468 HydrophobicContact CB-SD 4.06Å; M422-M468 HydrophobicContact CE-CB 3.79Å; M422-M468 HydrophobicContact CE-CG 3.76Å; M422-M468 HydrophobicContact CE-SD 3.8Å; M422-M468 HydrophobicContact CG-SD 4.48Å; M468-E472 HydrophobicContact SD-CB 4.12Å; M468-E472 HydrophobicContact SD-CG 4.25Å
469	G	89.1	Confident	94.1	Very high	9 Å²	9	37.8 Å²	37.8	9%	0.093	20%	0.199	C	C	.	.			trans	-66.9	156.5	168.6	0	0	0	0	0	111.5	D471 E472 F474	G469-D471 PolarHBondContact O-N 3.07Å; G469-D471 VanDerWaalsContact O-N 3.1Å; G469-E472 PolarHBondContact O-N 2.91Å; G469-F474 PolarHBondContact N-O 3.14Å
470	S	84.6	Confident	93.8	Very high	136 Å²	136	39 Å²	39	95%	0.951	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.2	174.3	58.4	0	0	0	0	113.9
471	D	84.8	Confident	93.8	Very high	76 Å²	76	40.2 Å²	40.2	41%	0.406	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-8.1	174.4	58.1	-1.3	0	0	0	113.2	G469 V473 F474	G469-D471 PolarHBondContact O-N 3.07Å; G469-D471 VanDerWaalsContact O-N 3.1Å; D471-V473 HydrophobicContact CB-CG2 4.37Å; D471-V473 WeakPolarHBondContact O-CG2 3.5Å; D471-V473 PolarHBondContact O-N 3.15Å; D471-F474 WeakPolarHBondContact OD2-CD2 3.28Å
472	E	87.4	Confident	93.9	Very high	88 Å²	88	41.5 Å²	41.5	41%	0.411	23%	0.226	S	C	.	.	S	Bend	trans	58	-10.8	-174	-57.4	-174.1	-145.7	0	0	115.9	M422 P423 M468 G469 F474 N488	M422-E472 HydrophobicContact CE-CG 3.91Å; M422-E472 HydrophobicContact SD-CG 4.45Å; P423-E472 WeakPolarHBondContact CD-OE2 3.38Å; M468-E472 HydrophobicContact SD-CB 4.12Å; M468-E472 HydrophobicContact SD-CG 4.25Å; G469-E472 PolarHBondContact O-N 2.91Å; E472-F474 VanDerWaalsContact C-N 3.33Å; E472-F474 PolarHBondContact O-N 2.98Å; E472-N488 PolarHBondContact O-ND2 2.97Å
473	V	92.2	Very high	94	Very high	49 Å²	49	40.6 Å²	40.6	30%	0.297	22%	0.217	S	C	.	.	S	Bend	trans	-68.1	-33.5	177.6	-175.7	0	0	0	0	111.6	D471 N488	D471-V473 HydrophobicContact CB-CG2 4.37Å; D471-V473 WeakPolarHBondContact O-CG2 3.5Å; D471-V473 PolarHBondContact O-N 3.15Å; V473-N488 WeakPolarHBondContact O-CB 3.24Å; V473-N488 PolarHBondContact O-N 2.81Å
474	F	95.1	Very high	94	Very high	31 Å²	31	42 Å²	42	14%	0.136	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.7	-174.9	-57	-78.4	0	0	0	113.4	G469 D471 E472 Y476 K485 F486 N487 E494	G469-F474 PolarHBondContact N-O 3.14Å; D471-F474 WeakPolarHBondContact OD2-CD2 3.28Å; E472-F474 VanDerWaalsContact C-N 3.33Å; E472-F474 PolarHBondContact O-N 2.98Å; F474-Y476 HydrophobicContact CB-CE2 4.08Å; F474-K485 HydrophobicContact CB-CG 4.06Å; F474-K485 HydrophobicContact CD1-CD 4.11Å; F474-K485 HydrophobicContact CD1-CG 3.77Å; F474-K485 HydrophobicContact CE1-CD 4.45Å; F474-K485 HydrophobicContact CE1-CG 4.47Å; F474-K485 VanDerWaalsContact CE2-CE 3.45Å; F474-K485 HydrophobicContact CG-CD 4.19Å; F474-K485 HydrophobicContact CG-CG 4Å; F474-F486 CarbonylContact C-O 3.52Å; F474-F486 VanDerWaalsContact CA-O 3.24Å; F474-F486 WeakPolarHBondContact CA-O 3.17Å; F474-N487 HydrophobicContact CD1-CB 4.21Å; F474-N487 HydrophobicContact CE1-CB 4.09Å; F474-E494 HydrophobicContact CD1-CG 4.39Å; F474-E494 HydrophobicContact CE1-CG 3.82Å
475	T	95.9	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135	166.7	-60.4	0	0	0	0	108.7	L419 W456 F477 F486 N488	L419-T475 HydrophobicContact CD1-CG2 4.06Å; L419-T475 HydrophobicContact CD2-CG2 3.55Å; L419-T475 HydrophobicContact CG-CG2 4.46Å; W456-T475 HydrophobicContact CZ3-CG2 4.42Å; T475-F477 HydrophobicContact CG2-CD2 4.13Å; T475-F477 HydrophobicContact CG2-CE2 3.49Å; T475-F477 VanDerWaalsContact CG2-CE2 3.49Å; T475-F477 HydrophobicContact CG2-CZ 3.78Å; T475-F486 PolarHBondContact N-O 3.2Å; T475-F486 WeakPolarHBondContact O-CA 3.13Å; T475-F486 WeakPolarHBondContact O-CB 3.24Å; T475-F486 PolarHBondContact O-N 3.45Å; T475-N488 WeakPolarHBondContact CB-OD1 3.2Å; T475-N488 PolarHBondContact OG1-ND2 3.05Å; T475-N488 PolarHBondContact OG1-OD1 2.86Å
476	Y	96.8	Very high	94.1	Very high	37 Å²	37	39.7 Å²	39.7	15%	0.145	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.8	178	-63	-85.6	0	0	0	109.8	S466 F467 F474 Y483 W484 K485 W505	S466-Y476 VanDerWaalsContact CA-O 3.28Å; S466-Y476 WeakPolarHBondContact CA-O 3.27Å; F467-Y476 HydrophobicContact CD2-CD2 4.18Å; F467-Y476 AromaticContact CE2-CD2 3.76Å; F467-Y476 HydrophobicContact CE2-CD2 3.76Å; F467-Y476 AromaticContact CE2-CG 3.96Å; F467-Y476 HydrophobicContact CE2-CG 3.96Å; F467-Y476 HydrophobicContact CZ-CD2 4.49Å; F467-Y476 HydrophobicContact CZ-CG 4.24Å; F467-Y476 PolarHBondContact N-O 3.5Å; F467-Y476 PolarHBondContact O-N 3.46Å; F474-Y476 HydrophobicContact CB-CE2 4.08Å; Y476-Y483 AromaticContact CD1-CD2 3.96Å; Y476-Y483 HydrophobicContact CD1-CD2 3.96Å; Y476-Y483 AromaticContact CD1-CE2 3.99Å; Y476-Y483 HydrophobicContact CD1-CE2 3.99Å; Y476-Y483 HydrophobicContact CE1-CE2 4.21Å; Y476-W484 WeakPolarHBondContact CA-O 3.39Å; Y476-K485 HydrophobicContact CD1-CB 4.18Å; Y476-K485 HydrophobicContact CD1-CG 4.26Å; Y476-K485 HydrophobicContact CE1-CB 3.9Å; Y476-K485 HydrophobicContact CE1-CD 3.8Å; Y476-K485 HydrophobicContact CE1-CG 3.61Å; Y476-K485 VanDerWaalsContact OH-CE 3.29Å; Y476-K485 WeakPolarHBondContact OH-CE 3.35Å; Y476-K485 PolarHBondContact OH-NZ 2.8Å; Y476-W505 HydrophobicContact CD1-CZ2 4.41Å
477	F	98	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	139	174.7	-69.1	-88	0	0	0	110.2	F430 W456 I459 P463 G465 T475 Y483 W484 F486	F430-F477 HydrophobicContact CD2-CE1 4.4Å; F430-F477 AromaticContact CE1-CE1 3.95Å; F430-F477 HydrophobicContact CE1-CE1 3.95Å; F430-F477 HydrophobicContact CE1-CZ 4.23Å; F430-F477 AromaticContact CE2-CE1 3.79Å; F430-F477 HydrophobicContact CE2-CE1 3.79Å; F430-F477 HydrophobicContact CE2-CZ 4.31Å; F430-F477 AromaticContact CZ-CE1 3.52Å; F430-F477 HydrophobicContact CZ-CE1 3.52Å; F430-F477 AromaticContact CZ-CZ 3.72Å; F430-F477 HydrophobicContact CZ-CZ 3.72Å; W456-F477 HydrophobicContact CD2-CZ 4.24Å; W456-F477 AromaticContact CE3-CE2 3.79Å; W456-F477 HydrophobicContact CE3-CE2 3.79Å; W456-F477 AromaticContact CE3-CZ 3.62Å; W456-F477 HydrophobicContact CE3-CZ 3.62Å; W456-F477 HydrophobicContact CH2-CZ 4.06Å; W456-F477 AromaticContact CZ3-CE2 3.83Å; W456-F477 HydrophobicContact CZ3-CE2 3.83Å; W456-F477 AromaticContact CZ3-CZ 3.54Å; W456-F477 HydrophobicContact CZ3-CZ 3.54Å; I459-F477 HydrophobicContact CB-CD2 4.3Å; I459-F477 HydrophobicContact CB-CG 4.45Å; I459-F477 HydrophobicContact CD1-CD1 4.04Å; I459-F477 HydrophobicContact CD1-CD2 4.29Å; I459-F477 HydrophobicContact CD1-CE1 3.72Å; I459-F477 HydrophobicContact CD1-CE2 3.99Å; I459-F477 HydrophobicContact CD1-CG 4.31Å; I459-F477 HydrophobicContact CD1-CZ 3.69Å; I459-F477 HydrophobicContact CG2-CD2 3.73Å; I459-F477 HydrophobicContact CG2-CE2 3.9Å; I459-F477 HydrophobicContact CG2-CG 4.36Å; P463-F477 HydrophobicContact CB-CD1 3.94Å; P463-F477 HydrophobicContact CG-CD1 4.05Å; P463-F477 HydrophobicContact CG-CE1 4.48Å; G465-F477 WeakPolarHBondContact O-CA 3.46Å; T475-F477 HydrophobicContact CG2-CD2 4.13Å; T475-F477 HydrophobicContact CG2-CE2 3.49Å; T475-F477 VanDerWaalsContact CG2-CE2 3.49Å; T475-F477 HydrophobicContact CG2-CZ 3.78Å; F477-Y483 CarbonylContact O-C 3.55Å; F477-Y483 WeakPolarHBondContact O-CA 3.5Å; F477-Y483 WeakPolarHBondContact O-CB 3.34Å; F477-W484 HydrophobicContact CB-CB 4.41Å; F477-W484 PolarHBondContact N-O 3.4Å; F477-W484 PolarHBondContact O-N 2.87Å; F477-F486 HydrophobicContact CD2-CB 4.14Å; F477-F486 HydrophobicContact CE2-CB 3.97Å; F477-F486 HydrophobicContact CE2-CG 4.29Å
478	Y	97.9	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.2	178.5	173.6	-99.5	0	0	0	111.7	F323 V326 R464 G465 N481 K482 A501 W505	F323-Y478 HydrophobicContact CB-CE1 3.93Å; F323-Y478 HydrophobicContact CD2-CE1 4.27Å; F323-Y478 AromaticContact CD2-CE2 3.94Å; F323-Y478 HydrophobicContact CD2-CE2 3.94Å; F323-Y478 AromaticContact CD2-CZ 3.58Å; F323-Y478 VanDerWaalsContact CD2-OH 3.28Å; F323-Y478 WeakPolarHBondContact CD2-OH 3.46Å; F323-Y478 PolarHBondContact N-OH 3.47Å; V326-Y478 HydrophobicContact CB-CG 4.49Å; V326-Y478 HydrophobicContact CG2-CD1 4.05Å; V326-Y478 HydrophobicContact CG2-CD2 4.27Å; V326-Y478 HydrophobicContact CG2-CE1 4.35Å; V326-Y478 HydrophobicContact CG2-CG 4.02Å; R464-Y478 HydrophobicContact CB-CD1 4.02Å; R464-Y478 HydrophobicContact CB-CE1 4.37Å; R464-Y478 PolarHBondContact N-O 2.88Å; G465-Y478 PolarHBondContact N-O 3.03Å; G465-Y478 PolarHBondContact O-N 3.45Å; Y478-N481 PolarHBondContact OH-N 2.97Å; Y478-N481 PolarHBondContact OH-OD1 3.32Å; Y478-K482 WeakPolarHBondContact CD2-O 3.23Å; Y478-A501 HydrophobicContact CD2-CB 3.96Å; Y478-A501 HydrophobicContact CE2-CB 3.84Å; Y478-W505 AromaticContact CD2-CZ3 3.89Å; Y478-W505 HydrophobicContact CD2-CZ3 3.89Å; Y478-W505 HydrophobicContact CG-CZ3 4.32Å
479	K	96.9	Very high	93.8	Very high	79 Å²	79	47.1 Å²	47.1	34%	0.343	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	128.8	168.7	-167.5	-177.8	-177.6	-177.6	0	110.7	P460 E461 S462 N481 K482 W484	P460-K479 HydrophobicContact CB-CD 3.76Å; P460-K479 HydrophobicContact CG-CB 4.01Å; P460-K479 HydrophobicContact CG-CD 3.97Å; E461-K479 WeakPolarHBondContact O-CE 3.32Å; E461-K479 PolarHBondContact O-NZ 2.91Å; S462-K479 WeakPolarHBondContact O-CD 3.21Å; S462-K479 WeakPolarHBondContact O-CE 3.38Å; K479-N481 PolarHBondContact O-N 3.02Å; K479-K482 PolarHBondContact N-O 3.31Å; K479-K482 WeakPolarHBondContact O-CB 3.45Å; K479-K482 PolarHBondContact O-N 3.3Å; K479-K482 VanDerWaalsContact O-N 3.08Å; K479-K482 VanDerWaalsContact O-O 3.12Å; K479-W484 HydrophobicContact CB-CH2 4.09Å; K479-W484 HydrophobicContact CB-CZ3 3.75Å
480	G	91.9	Very high	94	Very high	44 Å²	44	53.2 Å²	53.2	45%	0.454	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	56.2	167.7	0	0	0	0	0	114.2	K482	G480-K482 PolarHBondContact O-N 2.83Å
481	N	95	Very high	94.4	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	0.3	-176.1	-64.9	-20.4	0	0	0	116.3	G321 N322 Y478 K479 A501 L502	G321-N481 WeakPolarHBondContact CA-OD1 3.47Å; N322-N481 PolarHBondContact N-OD1 3.43Å; Y478-N481 PolarHBondContact OH-N 2.97Å; Y478-N481 PolarHBondContact OH-OD1 3.32Å; K479-N481 PolarHBondContact O-N 3.02Å; N481-A501 PolarHBondContact O-N 3.07Å; N481-L502 HydrophobicContact CB-CD1 4.18Å; N481-L502 HydrophobicContact CB-CG 4.23Å
482	K	96.9	Very high	94.9	Very high	116 Å²	116	51.7 Å²	51.7	50%	0.504	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	153.9	177.3	-69.9	179.9	-174	-178.6	0	110.9	Y478 K479 G480 W484 P498 K499	Y478-K482 WeakPolarHBondContact CD2-O 3.23Å; K479-K482 PolarHBondContact N-O 3.31Å; K479-K482 WeakPolarHBondContact O-CB 3.45Å; K479-K482 PolarHBondContact O-N 3.3Å; K479-K482 VanDerWaalsContact O-N 3.08Å; K479-K482 VanDerWaalsContact O-O 3.12Å; G480-K482 PolarHBondContact O-N 2.83Å; K482-W484 HydrophobicContact CB-CH2 3.68Å; K482-W484 HydrophobicContact CB-CZ3 3.71Å; K482-W484 WeakPolarHBondContact O-CZ3 3.4Å; K482-P498 HydrophobicContact CB-CB 3.96Å; K482-P498 HydrophobicContact CD-CB 4.22Å; K482-P498 HydrophobicContact CD-CG 4.11Å; K482-P498 HydrophobicContact CG-CB 4.43Å; K482-K499 CarbonylContact C-O 3.57Å; K482-K499 VanDerWaalsContact CA-O 3.22Å; K482-K499 WeakPolarHBondContact CA-O 3.47Å
483	Y	97.6	Very high	95.4	Very high	17 Å²	17	48.4 Å²	48.4	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.5	170.9	81	-77.2	0	0	0	112.1	Y476 F477 Y497 P498 K499 A501 D504 W505	Y476-Y483 AromaticContact CD1-CD2 3.96Å; Y476-Y483 HydrophobicContact CD1-CD2 3.96Å; Y476-Y483 AromaticContact CD1-CE2 3.99Å; Y476-Y483 HydrophobicContact CD1-CE2 3.99Å; Y476-Y483 HydrophobicContact CE1-CE2 4.21Å; F477-Y483 CarbonylContact O-C 3.55Å; F477-Y483 WeakPolarHBondContact O-CA 3.5Å; F477-Y483 WeakPolarHBondContact O-CB 3.34Å; Y483-Y497 HydrophobicContact CD2-CE1 4.17Å; Y483-Y497 HydrophobicContact CE2-CD1 4.29Å; Y483-Y497 AromaticContact CE2-CE1 3.52Å; Y483-Y497 HydrophobicContact CE2-CE1 3.52Å; Y483-Y497 AromaticContact CZ-CE1 3.73Å; Y483-P498 CarbonylContact O-C 3.46Å; Y483-P498 VanDerWaalsContact O-CA 3.22Å; Y483-P498 WeakPolarHBondContact O-CA 3.45Å; Y483-P498 WeakPolarHBondContact O-CB 3.36Å; Y483-K499 HydrophobicContact CD1-CB 4.09Å; Y483-K499 WeakPolarHBondContact CD1-O 3.43Å; Y483-K499 HydrophobicContact CE1-CB 3.49Å; Y483-K499 VanDerWaalsContact CE1-CB 3.49Å; Y483-K499 PolarHBondContact N-O 3.26Å; Y483-K499 PolarHBondContact O-N 3.32Å; Y483-A501 HydrophobicContact CD1-CB 4.22Å; Y483-D504 HydrophobicContact CE1-CB 3.72Å; Y483-W505 VanDerWaalsContact CB-CH2 3.42Å; Y483-W505 VanDerWaalsContact CB-CZ2 3.43Å; Y483-W505 HydrophobicContact CD1-CZ2 4.19Å; Y483-W505 AromaticContact CD2-CE2 3.62Å; Y483-W505 HydrophobicContact CD2-CH2 4.14Å; Y483-W505 AromaticContact CD2-CZ2 3.24Å; Y483-W505 HydrophobicContact CD2-CZ2 3.24Å; Y483-W505 AromaticContact CD2-NE1 3.75Å; Y483-W505 AromaticContact CE2-CE2 3.93Å; Y483-W505 AromaticContact CE2-CZ2 3.95Å; Y483-W505 HydrophobicContact CE2-CZ2 3.95Å; Y483-W505 AromaticContact CE2-NE1 3.54Å; Y483-W505 HydrophobicContact CG-CD2 4.46Å; Y483-W505 AromaticContact CG-CE2 3.65Å; Y483-W505 AromaticContact CG-CH2 3.92Å; Y483-W505 HydrophobicContact CG-CH2 3.92Å; Y483-W505 AromaticContact CG-CZ2 3.36Å; Y483-W505 HydrophobicContact CG-CZ2 3.36Å; Y483-W505 AromaticContact CZ-NE1 3.69Å
484	W	98	Very high	95.6	Very high	30 Å²	30	48 Å²	48	11%	0.114	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.1	-179.9	-67.4	-111.8	0	0	0	108.8	G458 P460 Y476 F477 K479 K482 V493 P498	G458-W484 PolarHBondContact O-NE1 3.5Å; P460-W484 HydrophobicContact CB-CH2 4.26Å; P460-W484 HydrophobicContact CB-CZ2 4.07Å; P460-W484 HydrophobicContact CG-CD2 3.99Å; P460-W484 HydrophobicContact CG-CE3 3.87Å; P460-W484 HydrophobicContact CG-CH2 3.84Å; P460-W484 HydrophobicContact CG-CZ2 3.88Å; P460-W484 HydrophobicContact CG-CZ3 3.82Å; Y476-W484 WeakPolarHBondContact CA-O 3.39Å; F477-W484 HydrophobicContact CB-CB 4.41Å; F477-W484 PolarHBondContact N-O 3.4Å; F477-W484 PolarHBondContact O-N 2.87Å; K479-W484 HydrophobicContact CB-CH2 4.09Å; K479-W484 HydrophobicContact CB-CZ3 3.75Å; K482-W484 HydrophobicContact CB-CH2 3.68Å; K482-W484 HydrophobicContact CB-CZ3 3.71Å; K482-W484 WeakPolarHBondContact O-CZ3 3.4Å; W484-V493 HydrophobicContact CB-CG1 4.42Å; W484-V493 HydrophobicContact CB-CG2 4.2Å; W484-P498 HydrophobicContact CD2-CB 3.86Å; W484-P498 HydrophobicContact CE3-CB 4.34Å; W484-P498 HydrophobicContact CG-CB 4.3Å; W484-P498 HydrophobicContact CH2-CB 4.2Å; W484-P498 HydrophobicContact CZ2-CB 3.75Å; W484-P498 HydrophobicContact CZ2-CG 3.8Å; W484-P498 HydrophobicContact CZ3-CB 4.47Å
485	K	97.4	Very high	95.7	Very high	41 Å²	41	52 Å²	52	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106	172.3	-176.8	173.2	-178.4	168.2	0	108.8	F474 Y476 V493 E494 Y497	F474-K485 HydrophobicContact CB-CG 4.06Å; F474-K485 HydrophobicContact CD1-CD 4.11Å; F474-K485 HydrophobicContact CD1-CG 3.77Å; F474-K485 HydrophobicContact CE1-CD 4.45Å; F474-K485 HydrophobicContact CE1-CG 4.47Å; F474-K485 VanDerWaalsContact CE2-CE 3.45Å; F474-K485 HydrophobicContact CG-CD 4.19Å; F474-K485 HydrophobicContact CG-CG 4Å; Y476-K485 HydrophobicContact CD1-CB 4.18Å; Y476-K485 HydrophobicContact CD1-CG 4.26Å; Y476-K485 HydrophobicContact CE1-CB 3.9Å; Y476-K485 HydrophobicContact CE1-CD 3.8Å; Y476-K485 HydrophobicContact CE1-CG 3.61Å; Y476-K485 VanDerWaalsContact OH-CE 3.29Å; Y476-K485 WeakPolarHBondContact OH-CE 3.35Å; Y476-K485 PolarHBondContact OH-NZ 2.8Å; K485-V493 WeakPolarHBondContact O-CA 3.45Å; K485-E494 PolarHBondContact O-N 2.94Å; K485-Y497 HydrophobicContact CB-CD1 3.89Å; K485-Y497 HydrophobicContact CB-CD2 3.91Å; K485-Y497 HydrophobicContact CB-CE1 3.57Å; K485-Y497 HydrophobicContact CB-CE2 3.59Å; K485-Y497 HydrophobicContact CB-CG 4.06Å; K485-Y497 VanDerWaalsContact CB-CZ 3.4Å; K485-Y497 HydrophobicContact CD-CE2 4.05Å; K485-Y497 WeakPolarHBondContact CD-OH 3.11Å; K485-Y497 HydrophobicContact CG-CE2 4.36Å
486	F	96.8	Very high	95.6	Very high	1 Å²	1	55 Å²	55	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.5	179.9	-175.1	-96.3	0	0	0	110.5	W456 I459 F474 T475 F477 L491 V493	W456-F486 HydrophobicContact CB-CE2 3.97Å; W456-F486 HydrophobicContact CB-CZ 4.23Å; W456-F486 HydrophobicContact CD2-CE1 4.41Å; W456-F486 HydrophobicContact CD2-CZ 4.24Å; W456-F486 AromaticContact CE3-CD1 3.69Å; W456-F486 HydrophobicContact CE3-CD1 3.69Å; W456-F486 HydrophobicContact CE3-CD2 4.3Å; W456-F486 AromaticContact CE3-CE1 3.39Å; W456-F486 HydrophobicContact CE3-CE1 3.39Å; W456-F486 HydrophobicContact CE3-CE2 4.05Å; W456-F486 HydrophobicContact CE3-CG 4.12Å; W456-F486 AromaticContact CE3-CZ 3.57Å; W456-F486 HydrophobicContact CE3-CZ 3.57Å; W456-F486 AromaticContact CZ3-CD1 3.83Å; W456-F486 HydrophobicContact CZ3-CD1 3.83Å; W456-F486 AromaticContact CZ3-CE1 3.72Å; W456-F486 HydrophobicContact CZ3-CE1 3.72Å; W456-F486 HydrophobicContact CZ3-CZ 4.35Å; I459-F486 HydrophobicContact CG2-CB 4.35Å; I459-F486 HydrophobicContact CG2-CD2 3.68Å; I459-F486 HydrophobicContact CG2-CE2 4.35Å; I459-F486 HydrophobicContact CG2-CG 4.31Å; F474-F486 CarbonylContact C-O 3.52Å; F474-F486 VanDerWaalsContact CA-O 3.24Å; F474-F486 WeakPolarHBondContact CA-O 3.17Å; T475-F486 PolarHBondContact N-O 3.2Å; T475-F486 WeakPolarHBondContact O-CA 3.13Å; T475-F486 WeakPolarHBondContact O-CB 3.24Å; T475-F486 PolarHBondContact O-N 3.45Å; F477-F486 HydrophobicContact CD2-CB 4.14Å; F477-F486 HydrophobicContact CE2-CB 3.97Å; F477-F486 HydrophobicContact CE2-CG 4.29Å; F486-L491 HydrophobicContact CE1-CD2 4.23Å; F486-L491 VanDerWaalsContact CE2-O 3.3Å; F486-L491 WeakPolarHBondContact CE2-O 3.11Å; F486-L491 VanDerWaalsContact CZ-CA 3.41Å; F486-L491 HydrophobicContact CZ-CB 4.17Å; F486-L491 HydrophobicContact CZ-CD2 4.26Å; F486-L491 WeakPolarHBondContact CZ-O 3.33Å; F486-V493 HydrophobicContact CD2-CG2 4.04Å
487	N	95.2	Very high	95.6	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.5	177.4	-175.2	-44.7	0	0	0	110	F474 Q489 K490 L491 K492 E494	F474-N487 HydrophobicContact CD1-CB 4.21Å; F474-N487 HydrophobicContact CE1-CB 4.09Å; N487-Q489 PolarHBondContact O-N 2.92Å; N487-Q489 WeakPolarHBondContact OD1-CB 3.28Å; N487-Q489 PolarHBondContact OD1-N 2.97Å; N487-K490 HydrophobicContact CB-CB 4.11Å; N487-K490 HydrophobicContact CB-CD 4.39Å; N487-K490 HydrophobicContact CB-CG 4.41Å; N487-K490 WeakPolarHBondContact ND2-CE 3.4Å; N487-K490 PolarHBondContact O-N 2.99Å; N487-K490 PolarHBondContact OD1-N 2.83Å; N487-L491 WeakPolarHBondContact O-CA 3.42Å; N487-L491 PolarHBondContact O-N 2.96Å; N487-K492 WeakPolarHBondContact CB-O 3.11Å; N487-K492 PolarHBondContact N-O 2.85Å; N487-E494 HydrophobicContact CB-CG 4.21Å; N487-E494 WeakPolarHBondContact CB-OE1 3.47Å; N487-E494 PolarHBondContact ND2-OE1 2.73Å
488	N	91.9	Very high	95.5	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.102	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21	-174.3	-66.8	-22.9	0	0	0	113.3	W421 E472 V473 T475	W421-N488 HydrophobicContact CZ2-CB 4.11Å; E472-N488 PolarHBondContact O-ND2 2.97Å; V473-N488 WeakPolarHBondContact O-CB 3.24Å; V473-N488 PolarHBondContact O-N 2.81Å; T475-N488 WeakPolarHBondContact CB-OD1 3.2Å; T475-N488 PolarHBondContact OG1-ND2 3.05Å; T475-N488 PolarHBondContact OG1-OD1 2.86Å
489	Q	90.8	Very high	95.5	Very high	161 Å²	161	62.1 Å²	62.1	75%	0.752	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-42.7	177.4	-62.6	179.5	-7.5	0	0	112.4	N487 L491	N487-Q489 PolarHBondContact O-N 2.92Å; N487-Q489 WeakPolarHBondContact OD1-CB 3.28Å; N487-Q489 PolarHBondContact OD1-N 2.97Å; Q489-L491 VanDerWaalsContact C-N 3.32Å
490	K	92.9	Very high	95.4	Very high	138 Å²	138	60.2 Å²	60.2	60%	0.6	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.7	178.9	-59.6	177.3	-169.2	161	0	113.4	N487 K492 E494	N487-K490 HydrophobicContact CB-CB 4.11Å; N487-K490 HydrophobicContact CB-CD 4.39Å; N487-K490 HydrophobicContact CB-CG 4.41Å; N487-K490 WeakPolarHBondContact ND2-CE 3.4Å; N487-K490 PolarHBondContact O-N 2.99Å; N487-K490 PolarHBondContact OD1-N 2.83Å; K490-K492 PolarHBondContact O-N 3.07Å; K490-E494 IonicContact NZ-OE1 3.54Å; K490-E494 PolarHBondContact NZ-OE1 3.22Å; K490-E494 IonicContact NZ-OE2 3.67Å
491	L	92.4	Very high	95.6	Very high	84 Å²	84	58.1 Å²	58.1	44%	0.44	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	33	-174.2	-60.2	176	0	0	0	114.3	W421 E457 F486 N487 Q489	W421-L491 HydrophobicContact CH2-CD2 4.25Å; E457-L491 PolarHBondContact N-O 3.45Å; F486-L491 HydrophobicContact CE1-CD2 4.23Å; F486-L491 VanDerWaalsContact CE2-O 3.3Å; F486-L491 WeakPolarHBondContact CE2-O 3.11Å; F486-L491 VanDerWaalsContact CZ-CA 3.41Å; F486-L491 HydrophobicContact CZ-CB 4.17Å; F486-L491 HydrophobicContact CZ-CD2 4.26Å; F486-L491 WeakPolarHBondContact CZ-O 3.33Å; N487-L491 WeakPolarHBondContact O-CA 3.42Å; N487-L491 PolarHBondContact O-N 2.96Å; Q489-L491 VanDerWaalsContact C-N 3.32Å
492	K	96	Very high	95.5	Very high	95 Å²	95	57.2 Å²	57.2	41%	0.413	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.2	-177.4	-169.7	176.7	-168.4	131.8	0	111.5	E457 N487 K490	E457-K492 HydrophobicContact CB-CB 4.28Å; E457-K492 HydrophobicContact CB-CG 4.05Å; E457-K492 HydrophobicContact CG-CG 4.26Å; E457-K492 CarbonylContact O-C 3.58Å; E457-K492 WeakPolarHBondContact O-CA 3.38Å; E457-K492 WeakPolarHBondContact OE1-CE 3.44Å; E457-K492 IonicContact OE1-NZ 2.64Å; E457-K492 PolarHBondContact OE1-NZ 3.16Å; E457-K492 WeakPolarHBondContact OE2-CD 3.32Å; E457-K492 VanDerWaalsContact OE2-CE 3.31Å; E457-K492 WeakPolarHBondContact OE2-CE 3.27Å; E457-K492 WeakPolarHBondContact OE2-CG 3.46Å; E457-K492 IonicContact OE2-NZ 2.91Å; E457-K492 PolarHBondContact OE2-NZ 3.26Å; N487-K492 WeakPolarHBondContact CB-O 3.11Å; N487-K492 PolarHBondContact N-O 2.85Å; K490-K492 PolarHBondContact O-N 3.07Å
493	V	97.5	Very high	95.3	Very high	20 Å²	20	57.2 Å²	57.2	12%	0.121	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.6	167.9	172.7	0	0	0	0	111	E457 G458 I459 W484 K485 F486	E457-V493 PolarHBondContact O-N 2.81Å; G458-V493 VanDerWaalsContact C-CG2 3.44Å; I459-V493 HydrophobicContact CG2-CG2 3.65Å; W484-V493 HydrophobicContact CB-CG1 4.42Å; W484-V493 HydrophobicContact CB-CG2 4.2Å; K485-V493 WeakPolarHBondContact O-CA 3.45Å; F486-V493 HydrophobicContact CD2-CG2 4.04Å
494	E	97.7	Very high	95.1	Very high	41 Å²	41	58 Å²	58	19%	0.192	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-66.2	149.7	177.3	-75.6	-70.3	140.8	0	0	111.7	F474 K485 N487 K490 Y497	F474-E494 HydrophobicContact CD1-CG 4.39Å; F474-E494 HydrophobicContact CE1-CG 3.82Å; K485-E494 PolarHBondContact O-N 2.94Å; N487-E494 HydrophobicContact CB-CG 4.21Å; N487-E494 WeakPolarHBondContact CB-OE1 3.47Å; N487-E494 PolarHBondContact ND2-OE1 2.73Å; K490-E494 IonicContact NZ-OE1 3.54Å; K490-E494 PolarHBondContact NZ-OE1 3.22Å; K490-E494 IonicContact NZ-OE2 3.67Å; E494-Y497 HydrophobicContact CB-CD2 4.07Å; E494-Y497 HydrophobicContact CB-CE2 4.24Å; E494-Y497 WeakPolarHBondContact O-CD2 3.3Å
495	P	96.1	Very high	94.9	Very high	114 Å²	114	57.4 Å²	57.4	74%	0.74	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	148.2	175.7	-25.3	35.1	0	0	0	113.3
496	G	94.3	Very high	94.6	Very high	62 Å²	62	55.9 Å²	55.9	64%	0.639	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	19	-179.1	0	0	0	0	0	114.8	K499	G496-K499 WeakPolarHBondContact O-CE 3.38Å; G496-K499 VanDerWaalsContact O-CG 3.26Å; G496-K499 WeakPolarHBondContact O-CG 3.43Å
497	Y	96.5	Very high	94.3	Very high	51 Å²	51	58 Å²	58	20%	0.2	31%	0.313	C	S	.	.			trans	-115.8	151.8	168.7	-72.9	-88.3	0	0	0	110.4	Y483 K485 E494 K499	Y483-Y497 HydrophobicContact CD2-CE1 4.17Å; Y483-Y497 HydrophobicContact CE2-CD1 4.29Å; Y483-Y497 AromaticContact CE2-CE1 3.52Å; Y483-Y497 HydrophobicContact CE2-CE1 3.52Å; Y483-Y497 AromaticContact CZ-CE1 3.73Å; K485-Y497 HydrophobicContact CB-CD1 3.89Å; K485-Y497 HydrophobicContact CB-CD2 3.91Å; K485-Y497 HydrophobicContact CB-CE1 3.57Å; K485-Y497 HydrophobicContact CB-CE2 3.59Å; K485-Y497 HydrophobicContact CB-CG 4.06Å; K485-Y497 VanDerWaalsContact CB-CZ 3.4Å; K485-Y497 HydrophobicContact CD-CE2 4.05Å; K485-Y497 WeakPolarHBondContact CD-OH 3.11Å; K485-Y497 HydrophobicContact CG-CE2 4.36Å; E494-Y497 HydrophobicContact CB-CD2 4.07Å; E494-Y497 HydrophobicContact CB-CE2 4.24Å; E494-Y497 WeakPolarHBondContact O-CD2 3.3Å; Y497-K499 HydrophobicContact CD1-CB 4.15Å; Y497-K499 HydrophobicContact CD1-CD 4.17Å; Y497-K499 HydrophobicContact CD1-CG 3.78Å; Y497-K499 HydrophobicContact CE1-CB 4.16Å; Y497-K499 HydrophobicContact CE1-CD 3.69Å; Y497-K499 HydrophobicContact CE1-CG 3.8Å; Y497-K499 HydrophobicContact CG-CG 4.38Å
498	P	97.1	Very high	94	Very high	57 Å²	57	58.1 Å²	58.1	37%	0.37	32%	0.315	S	S	.	.	S	Bend	cis	-71.6	155.1	5.5	24.9	-32.6	0	0	0	115.8	K482 Y483 W484	K482-P498 HydrophobicContact CB-CB 3.96Å; K482-P498 HydrophobicContact CD-CB 4.22Å; K482-P498 HydrophobicContact CD-CG 4.11Å; K482-P498 HydrophobicContact CG-CB 4.43Å; Y483-P498 CarbonylContact O-C 3.46Å; Y483-P498 VanDerWaalsContact O-CA 3.22Å; Y483-P498 WeakPolarHBondContact O-CA 3.45Å; Y483-P498 WeakPolarHBondContact O-CB 3.36Å; W484-P498 HydrophobicContact CD2-CB 3.86Å; W484-P498 HydrophobicContact CE3-CB 4.34Å; W484-P498 HydrophobicContact CG-CB 4.3Å; W484-P498 HydrophobicContact CH2-CB 4.2Å; W484-P498 HydrophobicContact CZ2-CB 3.75Å; W484-P498 HydrophobicContact CZ2-CG 3.8Å; W484-P498 HydrophobicContact CZ3-CB 4.47Å
499	K	96.5	Very high	93.7	Very high	79 Å²	79	61.8 Å²	61.8	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	169	172.1	-65.4	-171.8	-177.4	-174.8	0	111.8	K482 Y483 G496 Y497 A501 D504	K482-K499 CarbonylContact C-O 3.57Å; K482-K499 VanDerWaalsContact CA-O 3.22Å; K482-K499 WeakPolarHBondContact CA-O 3.47Å; Y483-K499 HydrophobicContact CD1-CB 4.09Å; Y483-K499 WeakPolarHBondContact CD1-O 3.43Å; Y483-K499 HydrophobicContact CE1-CB 3.49Å; Y483-K499 VanDerWaalsContact CE1-CB 3.49Å; Y483-K499 PolarHBondContact N-O 3.26Å; Y483-K499 PolarHBondContact O-N 3.32Å; G496-K499 WeakPolarHBondContact O-CE 3.38Å; G496-K499 VanDerWaalsContact O-CG 3.26Å; G496-K499 WeakPolarHBondContact O-CG 3.43Å; Y497-K499 HydrophobicContact CD1-CB 4.15Å; Y497-K499 HydrophobicContact CD1-CD 4.17Å; Y497-K499 HydrophobicContact CD1-CG 3.78Å; Y497-K499 HydrophobicContact CE1-CB 4.16Å; Y497-K499 HydrophobicContact CE1-CD 3.69Å; Y497-K499 HydrophobicContact CE1-CG 3.8Å; Y497-K499 HydrophobicContact CG-CG 4.38Å; K499-A501 PolarHBondContact O-N 2.78Å; K499-D504 WeakPolarHBondContact CB-OD2 3.38Å
500	S	96	Very high	92.6	Very high	40 Å²	40	59.2 Å²	59.2	28%	0.28	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.5	-178.5	177.4	0	0	0	0	111.1	L502 R503 D504	S500-L502 VanDerWaalsContact C-N 3.28Å; S500-L502 PolarHBondContact O-N 3.09Å; S500-L502 PolarHBondContact OG-N 3.06Å; S500-R503 PolarHBondContact O-N 3.01Å; S500-R503 PolarHBondContact OG-N 3.4Å; S500-D504 VanDerWaalsContact O-CB 3.31Å; S500-D504 WeakPolarHBondContact O-CB 3.36Å; S500-D504 PolarHBondContact O-N 2.85Å
501	A	95.1	Very high	90.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.3	-32.4	174.7	0	0	0	0	0	111.7	Y478 N481 Y483 K499 R503 W505 M506	Y478-A501 HydrophobicContact CD2-CB 3.96Å; Y478-A501 HydrophobicContact CE2-CB 3.84Å; N481-A501 PolarHBondContact O-N 3.07Å; Y483-A501 HydrophobicContact CD1-CB 4.22Å; K499-A501 PolarHBondContact O-N 2.78Å; A501-R503 PolarHBondContact O-N 3.49Å; A501-W505 HydrophobicContact CB-CD2 4.11Å; A501-W505 HydrophobicContact CB-CE3 3.67Å; A501-W505 HydrophobicContact CB-CZ3 4.12Å; A501-W505 WeakPolarHBondContact O-CA 3.46Å; A501-W505 VanDerWaalsContact O-CB 3.27Å; A501-W505 WeakPolarHBondContact O-CB 3.5Å; A501-W505 PolarHBondContact O-N 2.75Å; A501-M506 PolarHBondContact O-N 3.31Å; A501-M506 VanDerWaalsContact O-N 3.11Å
502	L	94	Very high	87.9	Confident	26 Å²	26	55.8 Å²	55.8	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-42.5	179.5	-55.7	-178.2	0	0	0	111.5	F323 N481 S500 M506 G507 C508	F323-L502 HydrophobicContact CE2-CD2 3.76Å; F323-L502 HydrophobicContact CZ-CD2 3.63Å; N481-L502 HydrophobicContact CB-CD1 4.18Å; N481-L502 HydrophobicContact CB-CG 4.23Å; S500-L502 VanDerWaalsContact C-N 3.28Å; S500-L502 PolarHBondContact O-N 3.09Å; S500-L502 PolarHBondContact OG-N 3.06Å; L502-M506 HydrophobicContact CD2-CG 4.38Å; L502-M506 CarbonylContact O-C 3.5Å; L502-M506 WeakPolarHBondContact O-CA 3.33Å; L502-M506 WeakPolarHBondContact O-CB 3.41Å; L502-M506 PolarHBondContact O-N 3.39Å; L502-G507 PolarHBondContact O-N 3.33Å; L502-C508 HydrophobicContact CB-CB 4.23Å; L502-C508 VanDerWaalsContact O-CB 3.27Å; L502-C508 WeakPolarHBondContact O-CB 3.22Å; L502-C508 PolarHBondContact O-N 2.87Å
503	R	92.3	Very high	84.9	Confident	116 Å²	116	61.6 Å²	61.6	44%	0.438	38%	0.383	S	S	.	.	H	α-helix	trans	-76.2	-50.7	177.3	-172	-170.5	64.8	-145.8	-9.9	111.5	S500 A501	S500-R503 PolarHBondContact O-N 3.01Å; S500-R503 PolarHBondContact OG-N 3.4Å; A501-R503 PolarHBondContact O-N 3.49Å
504	D	92.5	Very high	82.2	Confident	35 Å²	35	66.9 Å²	66.9	19%	0.187	42%	0.417	C	S	.	.	H	α-helix	trans	-87.9	-17.4	-165.4	-59.4	-13.4	0	0	0	113.6	N347 Y483 K499 S500	N347-D504 VanDerWaalsContact CG-O 3.31Å; N347-D504 PolarHBondContact ND2-O 2.85Å; N347-D504 PolarHBondContact OD1-O 2.95Å; Y483-D504 HydrophobicContact CE1-CB 3.72Å; K499-D504 WeakPolarHBondContact CB-OD2 3.38Å; S500-D504 VanDerWaalsContact O-CB 3.31Å; S500-D504 WeakPolarHBondContact O-CB 3.36Å; S500-D504 PolarHBondContact O-N 2.85Å
505	W	93.3	Very high	79.4	Confident	17 Å²	17	71.6 Å²	71.6	6%	0.064	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-38.8	174.1	-58.2	-18.4	0	0	0	113.4	V326 M333 V344 N347 F467 Y476 Y478 Y483 A501	V326-W505 HydrophobicContact CB-CZ3 4.32Å; V326-W505 HydrophobicContact CG1-CE3 4.34Å; V326-W505 HydrophobicContact CG1-CZ3 4.01Å; V326-W505 HydrophobicContact CG2-CZ3 4.36Å; M333-W505 HydrophobicContact CE-CB 4.21Å; M333-W505 HydrophobicContact CE-CD2 3.91Å; M333-W505 HydrophobicContact CE-CE3 4.18Å; M333-W505 HydrophobicContact CE-CG 3.95Å; M333-W505 HydrophobicContact SD-CB 4.09Å; M333-W505 HydrophobicContact SD-CD2 4.33Å; M333-W505 HydrophobicContact SD-CE3 4.17Å; M333-W505 HydrophobicContact SD-CG 4.35Å; V344-W505 WeakPolarHBondContact CG1-O 3.37Å; N347-W505 WeakPolarHBondContact CA-O 3.32Å; F467-W505 AromaticContact CE1-CH2 3.71Å; F467-W505 HydrophobicContact CE1-CH2 3.71Å; F467-W505 HydrophobicContact CE1-CZ2 4.16Å; F467-W505 HydrophobicContact CE1-CZ3 4.18Å; F467-W505 AromaticContact CZ-CH2 3.77Å; F467-W505 HydrophobicContact CZ-CH2 3.77Å; F467-W505 AromaticContact CZ-CZ2 3.72Å; F467-W505 HydrophobicContact CZ-CZ2 3.72Å; F467-W505 HydrophobicContact CZ-CZ3 4.4Å; Y476-W505 HydrophobicContact CD1-CZ2 4.41Å; Y478-W505 AromaticContact CD2-CZ3 3.89Å; Y478-W505 HydrophobicContact CD2-CZ3 3.89Å; Y478-W505 HydrophobicContact CG-CZ3 4.32Å; Y483-W505 VanDerWaalsContact CB-CH2 3.42Å; Y483-W505 VanDerWaalsContact CB-CZ2 3.43Å; Y483-W505 HydrophobicContact CD1-CZ2 4.19Å; Y483-W505 AromaticContact CD2-CE2 3.62Å; Y483-W505 HydrophobicContact CD2-CH2 4.14Å; Y483-W505 AromaticContact CD2-CZ2 3.24Å; Y483-W505 HydrophobicContact CD2-CZ2 3.24Å; Y483-W505 AromaticContact CD2-NE1 3.75Å; Y483-W505 AromaticContact CE2-CE2 3.93Å; Y483-W505 AromaticContact CE2-CZ2 3.95Å; Y483-W505 HydrophobicContact CE2-CZ2 3.95Å; Y483-W505 AromaticContact CE2-NE1 3.54Å; Y483-W505 HydrophobicContact CG-CD2 4.46Å; Y483-W505 AromaticContact CG-CE2 3.65Å; Y483-W505 AromaticContact CG-CH2 3.92Å; Y483-W505 HydrophobicContact CG-CH2 3.92Å; Y483-W505 AromaticContact CG-CZ2 3.36Å; Y483-W505 HydrophobicContact CG-CZ2 3.36Å; Y483-W505 AromaticContact CZ-NE1 3.69Å; A501-W505 HydrophobicContact CB-CD2 4.11Å; A501-W505 HydrophobicContact CB-CE3 3.67Å; A501-W505 HydrophobicContact CB-CZ3 4.12Å; A501-W505 WeakPolarHBondContact O-CA 3.46Å; A501-W505 VanDerWaalsContact O-CB 3.27Å; A501-W505 WeakPolarHBondContact O-CB 3.5Å; A501-W505 PolarHBondContact O-N 2.75Å
506	M	92.9	Very high	76.6	Confident	8 Å²	8	75.2 Å²	75.2	4%	0.039	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-4.1	-174.3	-45.4	-51.9	164	0	0	113.9	I318 F323 M333 V335 V344 A501 L502 C508	I318-M506 HydrophobicContact CD1-CB 4.2Å; I318-M506 HydrophobicContact CD1-CG 4.1Å; I318-M506 HydrophobicContact CD1-SD 3.66Å; I318-M506 HydrophobicContact CG1-CB 4.28Å; I318-M506 HydrophobicContact CG1-CG 4.12Å; I318-M506 HydrophobicContact CG1-SD 4.22Å; I318-M506 HydrophobicContact CG2-CB 4.43Å; F323-M506 HydrophobicContact CD2-CE 4.25Å; F323-M506 HydrophobicContact CE2-CE 3.58Å; F323-M506 HydrophobicContact CE2-CG 4.12Å; F323-M506 HydrophobicContact CE2-SD 4.43Å; F323-M506 HydrophobicContact CZ-CE 4.18Å; F323-M506 HydrophobicContact CZ-CG 4.02Å; F323-M506 HydrophobicContact CZ-SD 4.48Å; M333-M506 HydrophobicContact SD-CE 4.07Å; V335-M506 HydrophobicContact CB-CE 4.48Å; V335-M506 HydrophobicContact CG1-CE 4.18Å; V335-M506 HydrophobicContact CG2-CE 3.45Å; V335-M506 VanDerWaalsContact CG2-CE 3.45Å; V335-M506 HydrophobicContact CG2-SD 3.88Å; V344-M506 HydrophobicContact CG1-SD 4.27Å; V344-M506 HydrophobicContact CG2-SD 3.97Å; A501-M506 PolarHBondContact O-N 3.31Å; A501-M506 VanDerWaalsContact O-N 3.11Å; L502-M506 HydrophobicContact CD2-CG 4.38Å; L502-M506 CarbonylContact O-C 3.5Å; L502-M506 WeakPolarHBondContact O-CA 3.33Å; L502-M506 WeakPolarHBondContact O-CB 3.41Å; L502-M506 PolarHBondContact O-N 3.39Å; M506-C508 PolarHBondContact O-N 3.04Å
507	G	89	Confident	74.2	Confident	46 Å²	46	76.1 Å²	76.1	47%	0.474	46%	0.46	S	S	.	.			trans	68.3	16	-179.5	0	0	0	0	0	114.3	N347 L502	N347-G507 WeakPolarHBondContact O-CA 3.23Å; L502-G507 PolarHBondContact O-N 3.33Å
508	C	90.1	Very high	71.1	Confident	11 Å²	11	79.9 Å²	79.9	7%	0.074	49%	0.489	C	S	.	.			trans	-70.2	136.1	-177.3	-63.6	0	0	0	0	111.5	C319 L502 M506	C319-C508 WeakPolarHBondContact CA-SG 3.32Å; C319-C508 HydrophobicContact CB-CB 3.84Å; C319-C508 WeakPolarHBondContact CB-SG 3.41Å; C319-C508 WeakPolarHBondContact SG-CB 3.38Å; C319-C508 CovalentContact SG-SG 2.04Å; C319-C508 PolarHBondContact SG-SG 3.09Å; L502-C508 HydrophobicContact CB-CB 4.23Å; L502-C508 VanDerWaalsContact O-CB 3.27Å; L502-C508 WeakPolarHBondContact O-CB 3.22Å; L502-C508 PolarHBondContact O-N 2.87Å; M506-C508 PolarHBondContact O-N 3.04Å
509	P	84	Confident	68.2	Low	96 Å²	96	86.7 Å²	86.7	62%	0.623	52%	0.516	S	S	*	.			trans	-65.1	153.7	174	28.8	-34.7	0	0	0	110.9	G511	P509-G511 VanDerWaalsContact C-N 3.3Å; P509-G511 PolarHBondContact O-N 2.83Å
510	S	67.9	Low	65.2	Low	107 Å²	107	90.7 Å²	90.7	75%	0.748	54%	0.536	S	S	*	.			trans	-65.7	82.6	177.4	-58.6	0	0	0	0	111.9	G512	S510-G512 PolarHBondContact O-N 3.31Å
511	G	49.8	Very low	62.4	Low	74 Å²	74	98 Å²	98	76%	0.763	57%	0.566	S	S	*	*			trans	-81.2	90.4	173.9	0	0	0	0	0	111.4	P509 R513	P509-G511 VanDerWaalsContact C-N 3.3Å; P509-G511 PolarHBondContact O-N 2.83Å; G511-R513 PolarHBondContact O-N 3.29Å
512	G	37.2	Very low	59.3	Low	76 Å²	76	103.6 Å²	103.6	78%	0.784	60%	0.599	S	S	*	*			trans	-66.1	116.7	169.4	0	0	0	0	0	111.2	S510	S510-G512 PolarHBondContact O-N 3.31Å
513	R	34	Very low	56.3	Low	217 Å²	217	111.2 Å²	111.2	82%	0.819	64%	0.635	S	S	*	*			trans	-92.5	137.3	143.8	-81.6	-176.5	174.6	161.7	0.5	107.1	G511 D515	G511-R513 PolarHBondContact O-N 3.29Å; R513-D515 VanDerWaalsContact C-N 3.32Å; R513-D515 PolarHBondContact O-N 3.49Å
514	P	41	Very low	53.3	Low	131 Å²	131	111.3 Å²	111.3	85%	0.851	65%	0.648	S	S	*	*			trans	-78.4	86.3	175.6	32.2	-32.4	0	0	0	108.9
515	D	36.8	Very low	50.5	Low	140 Å²	140	116.5 Å²	116.5	75%	0.749	67%	0.674	S	S	*	*			trans	-84.1	122.3	165.9	-72.4	-20.7	0	0	0	108.9	R513	R513-D515 VanDerWaalsContact C-N 3.32Å; R513-D515 PolarHBondContact O-N 3.49Å
516	E	38.7	Very low	47.5	Very low	191 Å²	191	122.3 Å²	122.3	89%	0.893	71%	0.705	S	S	*	*	S	Bend	trans	21	108.2	154.6	-62.1	179.1	131.1	0	0	119.2
517	G	43	Very low	44.7	Very low	81 Å²	81	128.8 Å²	128.8	84%	0.835	74%	0.738	S	S	*	*				68	71.1	129.4	0	0	0	0	0	118
518	T	31.6	Very low	41.9	Very low	129 Å²	129	134.9 Å²	134.9	79%	0.791	75%	0.754	S	S	*	*			trans	-121.2	116	146.9	37.8	0	0	0	0	109.4	E520	T518-E520 PolarHBondContact O-N 3.44Å
519	E	36.2	Very low	39.2	Very low	200 Å²	200	140.4 Å²	140.4	94%	0.935	79%	0.787	S	S	*	*			trans	-67.2	109.1	166.7	-65.3	174.1	145.6	0	0	107.8	E521	E519-E521 PolarHBondContact O-N 3.1Å
520	E	34.3	Very low	36.7	Very low	164 Å²	164	143.6 Å²	143.6	77%	0.766	80%	0.799	S	S	*	*			trans	-82.7	96.3	168.6	-72.3	-169.4	160.7	0	0	108.8	T518 T522	T518-E520 PolarHBondContact O-N 3.44Å; E520-T522 PolarHBondContact O-N 3.02Å; E520-T522 PolarHBondContact O-OG1 2.94Å
521	E	35.6	Very low	35.3	Very low	194 Å²	194	147.2 Å²	147.2	91%	0.907	80%	0.804	S	S	*	*			trans	-58.3	106.8	160.5	-78.7	-169.4	140.5	0	0	108.5	E519 E523	E519-E521 PolarHBondContact O-N 3.1Å; E521-E523 PolarHBondContact O-N 2.72Å
522	T	31.5	Very low	34.5	Very low	116 Å²	116	153.3 Å²	153.3	71%	0.712	81%	0.813	S	S	*	*			trans	-89.1	98	-179.3	10.1	0	0	0	0	108.7	E520 V524	E520-T522 PolarHBondContact O-N 3.02Å; E520-T522 PolarHBondContact O-OG1 2.94Å; T522-V524 PolarHBondContact O-N 3.19Å
523	E	31.1	Very low	34.2	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	81%	0.814	S	S	*	*			trans	-64.2	108	166.7	-87.9	-166.6	141.2	0	0	109.6	E521 I525	E521-E523 PolarHBondContact O-N 2.72Å; E523-I525 PolarHBondContact O-N 2.82Å
524	V	28.6	Very low	34	Very low	118 Å²	118	147 Å²	147	72%	0.715	82%	0.816	S	S	*	*			trans	-80.7	103	178.7	-177.8	0	0	0	0	109.4	T522 I526	T522-V524 PolarHBondContact O-N 3.19Å; V524-I526 HydrophobicContact CG1-CG1 3.95Å; V524-I526 PolarHBondContact O-N 2.84Å
525	I	33.1	Very low	33.9	Very low	144 Å²	144	144.8 Å²	144.8	74%	0.738	82%	0.817	S	S	*	*			trans	-87.2	104	164.4	-58.2	-179.9	0	0	0	108.2	E523 I527	E523-I525 PolarHBondContact O-N 2.82Å; I525-I527 HydrophobicContact CG2-CG1 4.2Å
526	I	30.7	Very low	33.9	Very low	139 Å²	139	142.9 Å²	142.9	71%	0.713	82%	0.82	S	S	*	*			trans	-73	125.3	170.4	-56.7	174.7	0	0	0	107.9	V524 E528	V524-I526 HydrophobicContact CG1-CG1 3.95Å; V524-I526 PolarHBondContact O-N 2.84Å; I526-E528 HydrophobicContact CG2-CG 4.42Å
527	I	33.9	Very low	34.3	Very low	144 Å²	144	140.2 Å²	140.2	74%	0.738	82%	0.817	S	S	*	*			trans	-118	114.4	164	-59.7	-179.3	0	0	0	106.4	I525	I525-I527 HydrophobicContact CG2-CG1 4.2Å
528	E	31.6	Very low	34.5	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.813	80%	0.804	S	S	*	*			trans	-67.6	147.1	175.2	-67.9	175.2	130.5	0	0	110.3	I526	I526-E528 HydrophobicContact CG2-CG 4.42Å
529	V	33.4	Very low	35.3	Very low	127 Å²	127	137.7 Å²	137.7	77%	0.77	80%	0.796	S	S	*	*			trans	-103.5	115.9	-179.8	178.2	0	0	0	0	108.5
530	D	30.7	Very low	36.2	Very low	163 Å²	163	130.6 Å²	130.6	87%	0.872	77%	0.772	S	S	*	*			trans	-103.9	121.7	162.5	-78.2	-36.3	0	0	0	109.5
531	E	38.4	Very low	37.4	Very low	182 Å²	182	126.1 Å²	126.1	85%	0.85	76%	0.763	S	S	*	*			trans	-86.6	128.2	166	-69.8	-170.4	124.2	0	0	109.9
532	E	32	Very low	38.6	Very low	202 Å²	202	121.4 Å²	121.4	94%	0.944	75%	0.747	S	S	*	*			trans	179.2	153.3	130.3	-103.3	-176.4	-175.5	0	0	112.1
533	G	31.4	Very low	40.3	Very low	79 Å²	79	120.3 Å²	120.3	81%	0.814	74%	0.74	S	S	*	*			trans	101.5	73.3	148.1	0	0	0	0	0	120.4
534	G	30.4	Very low	42	Very low	83 Å²	83	116.6 Å²	116.6	86%	0.856	73%	0.725	S	S	*	*				63.4	102.4	124.4	0	0	0	0	0	122.1
535	G	38.7	Very low	44.1	Very low	84 Å²	84	114.3 Å²	114.3	87%	0.866	71%	0.713	S	S	*	*				82.5	87.9	121.1	0	0	0	0	0	120.5
536	A	38	Very low	46.1	Very low	100 Å²	100	111.4 Å²	111.4	83%	0.826	70%	0.702	S	S	*	*			trans	-156.2	81.9	147.9	0	0	0	0	0	111.5	S538	A536-S538 PolarHBondContact O-N 3.19Å; A536-S538 VanDerWaalsContact O-N 3.12Å
537	V	45.1	Very low	48.3	Very low	134 Å²	134	109.5 Å²	109.5	81%	0.812	69%	0.693	S	S	*	*			trans	-71.3	109.8	172.1	-173.3	0	0	0	0	108.4	A539	V537-A539 PolarHBondContact O-N 2.72Å
538	S	47.9	Very low	50.6	Low	82 Å²	82	107.8 Å²	107.8	57%	0.573	68%	0.684	S	S	*	*			trans	-55.8	121.7	-178.5	179.1	0	0	0	0	111.5	A536 A540 A541	A536-S538 PolarHBondContact O-N 3.19Å; A536-S538 VanDerWaalsContact O-N 3.12Å; S538-A540 PolarHBondContact O-N 3.1Å; S538-A541 WeakPolarHBondContact O-CB 3.36Å; S538-A541 PolarHBondContact O-N 2.98Å
539	A	49.6	Very low	53.2	Low	75 Å²	75	104.9 Å²	104.9	62%	0.62	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-20.4	-179	0	0	0	0	0	113.6	V537 A541 V542 V543	V537-A539 PolarHBondContact O-N 2.72Å; A539-A541 PolarHBondContact O-N 3.22Å; A539-V542 PolarHBondContact O-N 3.4Å; A539-V543 WeakPolarHBondContact O-CG2 3.41Å; A539-V543 PolarHBondContact O-N 2.68Å
540	A	54	Low	55.7	Low	52 Å²	52	103.9 Å²	103.9	43%	0.43	66%	0.663	S	S	.	*	H	α-helix	trans	-58	-33	173.8	0	0	0	0	0	113.4	S538 V542 L544	S538-A540 PolarHBondContact O-N 3.1Å; A540-V542 PolarHBondContact O-N 3.35Å; A540-V542 VanDerWaalsContact C-N 3.27Å; A540-L544 PolarHBondContact O-N 2.84Å
541	A	59.2	Low	58.3	Low	69 Å²	69	101 Å²	101	57%	0.57	65%	0.648	S	S	*	*	H	α-helix	trans	-67	-24.1	-175.3	0	0	0	0	0	114	S538 A539 P545	S538-A541 WeakPolarHBondContact O-CB 3.36Å; S538-A541 PolarHBondContact O-N 2.98Å; A539-A541 PolarHBondContact O-N 3.22Å; A541-P545 WeakPolarHBondContact O-CD 3.43Å; A541-P545 WeakPolarHBondContact O-CG 3.28Å
542	V	61.7	Low	60.7	Low	96 Å²	96	97.4 Å²	97.4	58%	0.582	64%	0.638	S	S	*	*	H	α-helix	trans	-103.6	-34.2	179.7	-175.7	0	0	0	0	111.7	A539 A540 P545 V546	A539-V542 PolarHBondContact O-N 3.4Å; A540-V542 PolarHBondContact O-N 3.35Å; A540-V542 VanDerWaalsContact C-N 3.27Å; V542-P545 WeakPolarHBondContact O-CD 3.23Å; V542-P545 WeakPolarHBondContact O-CG 3.27Å; V542-V546 WeakPolarHBondContact O-CG2 3.46Å; V542-V546 PolarHBondContact O-N 3.26Å
543	V	65.9	Low	63.2	Low	93 Å²	93	92.4 Å²	92.4	56%	0.564	62%	0.617	S	S	*	*	H	α-helix	trans	-68.3	-41.9	-177.7	173.2	0	0	0	0	112.3	A539 V546 L547	A539-V543 WeakPolarHBondContact O-CG2 3.41Å; A539-V543 PolarHBondContact O-N 2.68Å; V543-V546 PolarHBondContact O-N 3.46Å; V543-L547 WeakPolarHBondContact O-CB 3.48Å; V543-L547 PolarHBondContact O-N 3.14Å
544	L	67.6	Low	65.8	Low	108 Å²	108	91.3 Å²	91.3	57%	0.565	60%	0.6	S	S	*	*	H	α-helix	trans	-58.8	-52.7	179.5	-93.9	151	0	0	0	114.3	A540 V546 L547 L548	A540-L544 PolarHBondContact O-N 2.84Å; L544-V546 VanDerWaalsContact C-N 3.34Å; L544-V546 PolarHBondContact O-N 2.83Å; L544-L547 PolarHBondContact O-N 3.15Å; L544-L548 PolarHBondContact O-N 3.22Å; L544-L548 VanDerWaalsContact O-N 3.08Å
545	P	73.1	Confident	68.4	Low	71 Å²	71	91.8 Å²	91.8	46%	0.461	59%	0.586	S	S	.	*	H	α-helix	trans	-65.6	-34	178.8	22.6	-32.2	0	0	0	113.1	A541 V542 L549	A541-P545 WeakPolarHBondContact O-CD 3.43Å; A541-P545 WeakPolarHBondContact O-CG 3.28Å; V542-P545 WeakPolarHBondContact O-CD 3.23Å; V542-P545 WeakPolarHBondContact O-CG 3.27Å; P545-L549 WeakPolarHBondContact O-CB 3.29Å; P545-L549 PolarHBondContact O-N 3.45Å
546	V	74.8	Confident	70.6	Confident	82 Å²	82	89.8 Å²	89.8	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-68.2	-41.6	175.9	174.5	0	0	0	0	111.5	V542 V543 L544 L549 L550	V542-V546 WeakPolarHBondContact O-CG2 3.46Å; V542-V546 PolarHBondContact O-N 3.26Å; V543-V546 PolarHBondContact O-N 3.46Å; L544-V546 VanDerWaalsContact C-N 3.34Å; L544-V546 PolarHBondContact O-N 2.83Å; V546-L549 PolarHBondContact O-N 2.96Å; V546-L550 HydrophobicContact CG1-CD1 4.3Å; V546-L550 WeakPolarHBondContact O-CG 3.41Å; V546-L550 PolarHBondContact O-N 3.12Å
547	L	77.4	Confident	72.7	Confident	100 Å²	100	90.9 Å²	90.9	52%	0.524	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-43.6	176.5	-167.5	81	0	0	0	111.8	V543 L544 L550 L551	V543-L547 WeakPolarHBondContact O-CB 3.48Å; V543-L547 PolarHBondContact O-N 3.14Å; L544-L547 PolarHBondContact O-N 3.15Å; L547-L550 PolarHBondContact O-N 3.26Å; L547-L551 WeakPolarHBondContact O-CG 3.39Å; L547-L551 PolarHBondContact O-N 2.83Å
548	L	81.7	Confident	74.3	Confident	107 Å²	107	86.5 Å²	86.5	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-62	-42	175.8	-78	167	0	0	0	112	L544 L550 L551 V552	L544-L548 PolarHBondContact O-N 3.22Å; L544-L548 VanDerWaalsContact O-N 3.08Å; L548-L550 PolarHBondContact O-N 3.4Å; L548-L551 PolarHBondContact O-N 2.87Å; L548-V552 WeakPolarHBondContact O-CG2 3.25Å; L548-V552 PolarHBondContact O-N 2.9Å
549	L	85.4	Confident	75.8	Confident	114 Å²	114	86.3 Å²	86.3	60%	0.597	53%	0.53	S	S	*	.	H	α-helix	trans	-65.3	-39	179	-159.8	123.3	0	0	0	112	P545 V546 V552 L553	P545-L549 WeakPolarHBondContact O-CB 3.29Å; P545-L549 PolarHBondContact O-N 3.45Å; V546-L549 PolarHBondContact O-N 2.96Å; L549-V552 PolarHBondContact O-N 2.83Å; L549-L553 HydrophobicContact CD2-CD1 3.98Å; L549-L553 WeakPolarHBondContact O-CG 3.3Å; L549-L553 PolarHBondContact O-N 2.91Å
550	L	85.9	Confident	77.3	Confident	105 Å²	105	88.4 Å²	88.4	55%	0.55	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-39.6	173.6	-71.2	172.1	0	0	0	112.6	V546 L547 L548 L553 A554	V546-L550 HydrophobicContact CG1-CD1 4.3Å; V546-L550 WeakPolarHBondContact O-CG 3.41Å; V546-L550 PolarHBondContact O-N 3.12Å; L547-L550 PolarHBondContact O-N 3.26Å; L548-L550 PolarHBondContact O-N 3.4Å; L550-L553 PolarHBondContact O-N 3.49Å; L550-A554 WeakPolarHBondContact O-CB 3.37Å; L550-A554 PolarHBondContact O-N 3.14Å
551	L	85.8	Confident	78.3	Confident	103 Å²	103	91.9 Å²	91.9	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.3	-76.2	167.7	0	0	0	112.1	L547 L548 L553 A554 V555	L547-L551 WeakPolarHBondContact O-CG 3.39Å; L547-L551 PolarHBondContact O-N 2.83Å; L548-L551 PolarHBondContact O-N 2.87Å; L551-L553 PolarHBondContact O-N 2.9Å; L551-A554 PolarHBondContact O-N 3.24Å; L551-V555 WeakPolarHBondContact O-CG2 3.42Å; L551-V555 PolarHBondContact O-N 3.36Å
552	V	88.6	Confident	78.9	Confident	106 Å²	106	93.2 Å²	93.2	64%	0.642	52%	0.524	S	S	*	.	H	α-helix	trans	-62.6	-42.4	176.1	172	0	0	0	0	111.2	L548 L549 V555 G556	L548-V552 WeakPolarHBondContact O-CG2 3.25Å; L548-V552 PolarHBondContact O-N 2.9Å; L549-V552 PolarHBondContact O-N 2.83Å; V552-V555 PolarHBondContact O-N 2.85Å; V552-G556 PolarHBondContact O-N 3.05Å
553	L	85.7	Confident	79.4	Confident	98 Å²	98	99.3 Å²	99.3	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-64.6	-40.7	175.4	-71.8	170.6	0	0	0	112.4	L549 L550 L551 G556 L557	L549-L553 HydrophobicContact CD2-CD1 3.98Å; L549-L553 WeakPolarHBondContact O-CG 3.3Å; L549-L553 PolarHBondContact O-N 2.91Å; L550-L553 PolarHBondContact O-N 3.49Å; L551-L553 PolarHBondContact O-N 2.9Å; L553-G556 PolarHBondContact O-N 2.79Å; L553-L557 PolarHBondContact O-N 3.05Å; L553-L557 WeakPolarHBondContact O-CG 3.47Å; L553-L557 WeakPolarHBondContact O-CB 3.39Å
554	A	84.6	Confident	79.7	Confident	55 Å²	55	103.2 Å²	103.2	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-42.9	176.8	0	0	0	0	0	112.3	L550 L551 L557 A558	L550-A554 WeakPolarHBondContact O-CB 3.37Å; L550-A554 PolarHBondContact O-N 3.14Å; L551-A554 PolarHBondContact O-N 3.24Å; A554-L557 PolarHBondContact O-N 3.46Å; A554-A558 PolarHBondContact O-N 3.27Å; A554-A558 WeakPolarHBondContact O-CB 3.07Å
555	V	86.3	Confident	79.8	Confident	93 Å²	93	104.2 Å²	104.2	56%	0.564	54%	0.543	S	S	*	.	H	α-helix	trans	-64.7	-42.7	174.4	172.8	0	0	0	0	111	L551 V552 L557 A558 V559	L551-V555 WeakPolarHBondContact O-CG2 3.42Å; L551-V555 PolarHBondContact O-N 3.36Å; V552-V555 PolarHBondContact O-N 2.85Å; V555-L557 PolarHBondContact O-N 3.31Å; V555-A558 PolarHBondContact O-N 2.94Å; V555-V559 HydrophobicContact CG1-CG2 4.4Å; V555-V559 WeakPolarHBondContact O-CG2 3.33Å; V555-V559 PolarHBondContact O-N 3.16Å
556	G	85.1	Confident	79.4	Confident	42 Å²	42	102.8 Å²	102.8	43%	0.433	54%	0.541	S	S	.	.	H	α-helix	trans	-58.8	-45.2	175.3	0	0	0	0	0	112.9	V552 L553 V559 F560	V552-G556 PolarHBondContact O-N 3.05Å; L553-G556 PolarHBondContact O-N 2.79Å; G556-V559 PolarHBondContact O-N 3.34Å; G556-F560 WeakPolarHBondContact O-CB 3.26Å; G556-F560 PolarHBondContact O-N 2.73Å
557	L	81.6	Confident	78.7	Confident	123 Å²	123	103.6 Å²	103.6	64%	0.644	55%	0.547	S	S	*	.	H	α-helix	trans	-64.5	-41.6	175	-78.8	167.4	0	0	0	112.5	L553 A554 V555 F560 F561	L553-L557 PolarHBondContact O-N 3.05Å; L553-L557 WeakPolarHBondContact O-CG 3.47Å; L553-L557 WeakPolarHBondContact O-CB 3.39Å; A554-L557 PolarHBondContact O-N 3.46Å; V555-L557 PolarHBondContact O-N 3.31Å; L557-F560 PolarHBondContact O-N 2.74Å; L557-F561 WeakPolarHBondContact O-CB 3.46Å; L557-F561 PolarHBondContact O-N 2.84Å
558	A	78.3	Confident	77.8	Confident	42 Å²	42	102.5 Å²	102.5	35%	0.347	55%	0.545	S	S	.	.	H	α-helix	trans	-62	-47.1	176	0	0	0	0	0	111.7	A554 V555 F560 F561 F562	A554-A558 PolarHBondContact O-N 3.27Å; A554-A558 WeakPolarHBondContact O-CB 3.07Å; V555-A558 PolarHBondContact O-N 2.94Å; A558-F560 VanDerWaalsContact C-N 3.34Å; A558-F560 PolarHBondContact O-N 2.85Å; A558-F561 PolarHBondContact O-N 3.04Å; A558-F562 HydrophobicContact CB-CE2 4.37Å; A558-F562 WeakPolarHBondContact O-CD2 3.47Å; A558-F562 PolarHBondContact O-N 2.84Å
559	V	80.1	Confident	76.6	Confident	79 Å²	79	108.5 Å²	108.5	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-62.4	-40.6	176.8	171.8	0	0	0	0	111.5	V555 G556 R563	V555-V559 HydrophobicContact CG1-CG2 4.4Å; V555-V559 WeakPolarHBondContact O-CG2 3.33Å; V555-V559 PolarHBondContact O-N 3.16Å; G556-V559 PolarHBondContact O-N 3.34Å; V559-R563 PolarHBondContact O-N 3.36Å; V559-R563 WeakPolarHBondContact O-CB 3.13Å
560	F	80.4	Confident	75.3	Confident	118 Å²	118	114.4 Å²	114.4	52%	0.518	58%	0.575	S	S	.	*	H	α-helix	trans	-63.4	-43.3	174.2	-178.5	-100.4	0	0	0	112	G556 L557 A558 R563 R564	G556-F560 WeakPolarHBondContact O-CB 3.26Å; G556-F560 PolarHBondContact O-N 2.73Å; L557-F560 PolarHBondContact O-N 2.74Å; A558-F560 VanDerWaalsContact C-N 3.34Å; A558-F560 PolarHBondContact O-N 2.85Å; F560-R563 PolarHBondContact O-N 3.45Å; F560-R564 WeakPolarHBondContact O-CB 3.4Å; F560-R564 PolarHBondContact O-N 3.42Å
561	F	75.9	Confident	73.8	Confident	126 Å²	126	115.6 Å²	115.6	55%	0.553	58%	0.581	S	S	*	*	H	α-helix	trans	-64.2	-45.9	178.2	-166.3	-90.7	0	0	0	111.8	L557 A558 R563 R564 H565	L557-F561 WeakPolarHBondContact O-CB 3.46Å; L557-F561 PolarHBondContact O-N 2.84Å; A558-F561 PolarHBondContact O-N 3.04Å; F561-R563 VanDerWaalsContact C-N 3.34Å; F561-R563 PolarHBondContact O-N 2.83Å; F561-R564 PolarHBondContact O-N 2.89Å; F561-H565 PolarHBondContact O-N 2.85Å; F561-H565 AromaticContact CZ-CD2 3.92Å; F561-H565 AromaticContact CE2-CD2 3.65Å; F561-H565 HydrophobicContact CE1-CB 4.33Å; F561-H565 AromaticContact CD2-CD2 3.9Å
562	F	70.8	Confident	72.2	Confident	97 Å²	97	116.1 Å²	116.1	43%	0.425	58%	0.584	S	S	.	*	H	α-helix	trans	-63.3	-36.6	174.8	-72.1	-56.7	0	0	0	112.7	A558 G566 T567 P568	A558-F562 HydrophobicContact CB-CE2 4.37Å; A558-F562 WeakPolarHBondContact O-CD2 3.47Å; A558-F562 PolarHBondContact O-N 2.84Å; F562-G566 WeakPolarHBondContact O-CA 3.26Å; F562-G566 PolarHBondContact O-N 2.84Å; F562-G566 VanDerWaalsContact O-N 3.09Å; F562-T567 HydrophobicContact CD1-CG2 4.42Å; F562-P568 HydrophobicContact CE1-CG 4.42Å
563	R	72.6	Confident	70.3	Confident	223 Å²	223	120.9 Å²	120.9	84%	0.842	59%	0.592	S	S	*	*	H	α-helix	trans	-67.3	-33.1	172.8	-85.4	-172.5	163.5	-166.8	-4.4	113.4	V559 F560 F561	V559-R563 PolarHBondContact O-N 3.36Å; V559-R563 WeakPolarHBondContact O-CB 3.13Å; F560-R563 PolarHBondContact O-N 3.45Å; F561-R563 VanDerWaalsContact C-N 3.34Å; F561-R563 PolarHBondContact O-N 2.83Å
564	R	72.4	Confident	68.6	Low	175 Å²	175	121 Å²	121	66%	0.66	60%	0.6	S	S	*	*	H	α-helix	trans	-89.9	-31.9	-174.3	-166.9	172.5	-173.8	170.9	1.1	114.3	F560 F561	F560-R564 WeakPolarHBondContact O-CB 3.4Å; F560-R564 PolarHBondContact O-N 3.42Å; F561-R564 PolarHBondContact O-N 2.89Å
565	H	68.7	Low	66.8	Low	129 Å²	129	125.8 Å²	125.8	60%	0.597	61%	0.612	S	S	*	*	H	α-helix	trans	-117.4	-4.3	-175.2	-68.1	-66.1	0	0	0	114.8	F561	F561-H565 PolarHBondContact O-N 2.85Å; F561-H565 AromaticContact CZ-CD2 3.92Å; F561-H565 AromaticContact CE2-CD2 3.65Å; F561-H565 HydrophobicContact CE1-CB 4.33Å; F561-H565 AromaticContact CD2-CD2 3.9Å
566	G	66.2	Low	64.8	Low	41 Å²	41	131.7 Å²	131.7	42%	0.423	63%	0.625	S	S	.	*			trans	75.2	166.3	-177.6	0	0	0	0	0	113.3	F562	F562-G566 WeakPolarHBondContact O-CA 3.26Å; F562-G566 PolarHBondContact O-N 2.84Å; F562-G566 VanDerWaalsContact O-N 3.09Å
567	T	60.5	Low	63.2	Low	100 Å²	100	134.4 Å²	134.4	61%	0.613	64%	0.637	S	S	*	*			trans	-74.5	131.8	-178.1	48.8	0	0	0	0	112	F562 R569	F562-T567 HydrophobicContact CD1-CG2 4.42Å; T567-R569 PolarHBondContact O-N 2.78Å
568	P	58.3	Low	61.9	Low	77 Å²	77	136.2 Å²	136.2	50%	0.5	65%	0.647	S	S	.	*			trans	-63.6	136.1	177.1	25.6	-33.1	0	0	0	111.4	F562 R570 L571	F562-P568 HydrophobicContact CE1-CG 4.42Å; P568-R570 PolarHBondContact O-N 2.86Å; P568-L571 PolarHBondContact O-N 2.92Å
569	R	56.7	Low	60.8	Low	232 Å²	232	141.4 Å²	141.4	88%	0.875	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	1.6	-169	-80.2	-178.4	171.1	174	-2.9	117.2	T567	T567-R569 PolarHBondContact O-N 2.78Å
570	R	57.4	Low	59.2	Low	238 Å²	238	144.5 Å²	144.5	90%	0.898	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-13.3	179	-74.1	-166.8	176.2	-143.4	0.6	115.4	P568	P568-R570 PolarHBondContact O-N 2.86Å
571	L	54.3	Low	57.7	Low	130 Å²	130	148.4 Å²	148.4	68%	0.681	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-85.9	-11.1	174.7	-79.8	166.6	0	0	0	114.1	P568 Y573	P568-L571 PolarHBondContact O-N 2.92Å; L571-Y573 PolarHBondContact O-N 3.09Å
572	L	51.4	Low	56.2	Low	114 Å²	114	153 Å²	153	60%	0.597	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-71.4	-4.1	178.8	-86.3	159.4	0	0	0	114.7
573	Y	49.1	Very low	55.4	Low	207 Å²	207	155.8 Å²	155.8	81%	0.812	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-91.3	-22	-175.6	-145.6	-93.9	0	0	0	114.3	L571	L571-Y573 PolarHBondContact O-N 3.09Å
574	C	49.6	Very low	54.5	Low	101 Å²	101	152.2 Å²	152.2	68%	0.682	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-79.9	-19.8	-179.2	-70.2	0	0	0	0	113.8	R576	C574-R576 VanDerWaalsContact C-N 3.33Å; C574-R576 PolarHBondContact O-N 3.22Å
575	Q	46.5	Very low	53.5	Low	154 Å²	154	150.9 Å²	150.9	72%	0.72	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-81.5	-9.1	-175.9	-156.6	174.1	1	0	0	113.9
576	R	45.9	Very low	52.6	Low	218 Å²	218	152.2 Å²	152.2	82%	0.823	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-96.1	-5.2	178	-103	-177.7	177	177.5	-1.6	115.2	C574	C574-R576 VanDerWaalsContact C-N 3.33Å; C574-R576 PolarHBondContact O-N 3.22Å
577	S	50.2	Low	51.8	Low	99 Å²	99	159.2 Å²	159.2	69%	0.692	78%	0.782	S	S	*	*	S	Bend	trans	-99.8	1.5	-177.4	-166.3	0	0	0	0	114.7
578	L	54.9	Low	51.2	Low	161 Å²	161	163.1 Å²	163.1	84%	0.843	79%	0.793	S	S	*	*	S	Bend	trans	-118.5	9.3	-178.3	-76.1	171.1	0	0	0	113.7
579	L	54.4	Low	50.7	Low	151 Å²	151	169.3 Å²	169.3	79%	0.791	81%	0.814	S	S	*	*	S	Bend	trans	-115.7	-5.1	176	-92.2	161.5	0	0	0	113.8
580	D	47.6	Very low	50.2	Low	144 Å²	144	164.5 Å²	164.5	77%	0.77	81%	0.809	S	S	*	*	S	Bend	trans	-109.8	69.6	173.4	-79.8	-34	0	0	0	110.8
581	K	48.5	Very low	49.6	Very low	199 Å²	199	158.3 Å²	158.3	87%	0.865	80%	0.802	S	S	*	*			trans	-176.8	98	148	-103.4	162.1	-172.7	-179.8	0	112.2
582	V	43.4	Very low	49.2	Very low	222 Å²	222	160.9 Å²	160.9	100%	1.345	81%	0.813	S	S	*	*			trans	69.8	0	167	-167.8	0	0	0	0	115.6

Retrieved 582 of 582 residues in 562.5 ms (Link to these results)

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